| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 77.2 | Confident | 240 Ų | 240 | 56.2 Ų | 56.2 | 100% | 1.182 | 29% | 0.287 | S | S | * | . | 0 | 116.5 | 0 | -164.7 | 173.6 | -165.2 | 0 | 0 | 106.8 | Q3 | M1-Q3 PolarHBondContact O-N 3.18Š| |||
| 2 | I | 47.8 | Very low | 78.7 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | trans | -72.9 | 125.5 | -178.8 | -56.6 | -169.1 | 0 | 0 | 0 | 108 | L4 T36 A45 | I2-L4 HydrophobicContact CB-CD2 4.42Å; I2-L4 HydrophobicContact CG2-CD2 3.98Å; I2-L4 PolarHBondContact O-N 3Å; I2-L4 VanDerWaalsContact O-N 3.09Å; I2-T36 HydrophobicContact CD1-CG2 4.2Å; I2-A45 HydrophobicContact CD1-CB 3.65Å; I2-A45 HydrophobicContact CG1-CB 4.2Å | ||
| 3 | Q | 56.1 | Low | 79.8 | Confident | 88 Ų | 88 | 49.6 Ų | 49.6 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | trans | -78.5 | 91 | 170.7 | -75 | -172.3 | -60.2 | 0 | 0 | 108.8 | M1 E5 V6 | M1-Q3 PolarHBondContact O-N 3.18Å; Q3-E5 PolarHBondContact O-N 3.2Å; Q3-V6 PolarHBondContact O-N 2.99Å | ||
| 4 | L | 67.9 | Low | 80.6 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 15.3 | 178.2 | -60.1 | 173.5 | 0 | 0 | 0 | 114.5 | I2 C7 V23 L38 | I2-L4 HydrophobicContact CB-CD2 4.42Å; I2-L4 HydrophobicContact CG2-CD2 3.98Å; I2-L4 PolarHBondContact O-N 3Å; I2-L4 VanDerWaalsContact O-N 3.09Å; L4-C7 VanDerWaalsContact C-SG 3.55Å; L4-C7 PolarHBondContact O-SG 3.3Å; L4-C7 VanDerWaalsContact O-SG 3.37Å; L4-V23 HydrophobicContact CD2-CG1 4.35Å; L4-V23 HydrophobicContact CD2-CG2 3.85Å; L4-L38 HydrophobicContact CD1-CD2 4.23Å; L4-L38 HydrophobicContact CD2-CD2 3.9Å |
| 5 | E | 79.2 | Confident | 81.2 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -22.9 | 175.9 | -67.1 | -162 | -123.1 | 0 | 0 | 113.7 | Q3 H198 R202 L206 | Q3-E5 PolarHBondContact O-N 3.2Å; E5-H198 IonicContact OE1-CE1 2.67Å; E5-H198 IonicContact OE1-NE2 2.61Å; E5-H198 PolarHBondContact OE1-NE2 3.47Å; E5-H198 IonicContact OE2-CE1 3.18Å; E5-H198 PolarHBondContact OE2-CE1 3.08Å; E5-H198 IonicContact OE2-NE2 3.93Å; E5-H198 PolarHBondContact OE2-NE2 3.07Å; E5-R202 IonicContact OE1-NH2 2.69Å; E5-R202 PolarHBondContact OE1-NH2 3.31Å; E5-R202 IonicContact OE2-CZ 2.78Å; E5-R202 IonicContact OE2-NE 3.32Å; E5-R202 PolarHBondContact OE2-NE 3.19Å; E5-R202 IonicContact OE2-NH2 3.13Å; E5-R202 PolarHBondContact OE2-NH2 3.04Å; E5-L206 WeakPolarHBondContact O-CD2 3.45Å |
| 6 | V | 91.2 | Very high | 81.5 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -118.8 | 53.2 | -175.7 | -164.2 | 0 | 0 | 0 | 0 | 110.5 | Q3 Y197 A201 V208 I210 | Q3-V6 PolarHBondContact O-N 2.99Å; V6-Y197 HydrophobicContact CG1-CD2 4.19Å; V6-Y197 HydrophobicContact CG1-CE2 3.98Å; V6-A201 HydrophobicContact CB-CB 4.45Å; V6-A201 HydrophobicContact CG1-CB 3.73Å; V6-A201 HydrophobicContact CG2-CB 3.87Å; V6-V208 CarbonylContact C-O 3.57Å; V6-V208 WeakPolarHBondContact CA-O 3.38Å; V6-I210 HydrophobicContact CG1-CB 3.91Å; V6-I210 HydrophobicContact CG1-CG1 4Å |
| 7 | C | 93.2 | Very high | 82 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -142.2 | 168 | 178.5 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | L4 V23 I24 V208 | L4-C7 VanDerWaalsContact C-SG 3.55Å; L4-C7 PolarHBondContact O-SG 3.3Å; L4-C7 VanDerWaalsContact O-SG 3.37Å; C7-V23 HydrophobicContact CB-CB 4.03Å; C7-I24 WeakPolarHBondContact CA-O 3.35Å; C7-I24 WeakPolarHBondContact CB-O 3.14Å; C7-V208 PolarHBondContact N-O 3.1Å; C7-V208 VanDerWaalsContact N-O 3.1Å |
| 8 | I | 94.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.8 | 174.2 | -57.4 | 171.9 | 0 | 0 | 0 | 108.8 | V10 V23 I24 L58 F176 L209 I240 T242 | I8-V10 HydrophobicContact CG2-CG1 4.46Å; I8-V23 CarbonylContact O-C 3.59Å; I8-V23 WeakPolarHBondContact O-CA 3.48Å; I8-I24 HydrophobicContact CB-CB 4.29Å; I8-I24 HydrophobicContact CB-CD1 4.16Å; I8-I24 HydrophobicContact CG2-CD1 4.3Å; I8-I24 PolarHBondContact N-O 2.9Å; I8-I24 PolarHBondContact O-N 3.38Å; I8-L58 HydrophobicContact CG2-CD2 4.4Å; I8-F176 HydrophobicContact CD1-CD1 4.03Å; I8-F176 HydrophobicContact CD1-CE1 3.91Å; I8-L209 HydrophobicContact CD1-CB 4.14Å; I8-L209 HydrophobicContact CG1-CB 4.05Å; I8-I240 HydrophobicContact CD1-CG2 4.23Å; I8-T242 HydrophobicContact CG2-CG2 4.4Å |
| 9 | P | 93.6 | Very high | 83 | Confident | 54 Ų | 54 | 39.8 Ų | 39.8 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136.3 | 176.5 | 30.7 | -33.7 | 0 | 0 | 0 | 110.8 | P59 P207 | P9-P59 HydrophobicContact CB-CG 4.45Å; P9-P59 WeakPolarHBondContact O-CD 3.36Å; P9-P207 VanDerWaalsContact CD-CB 3.44Å; P9-P207 HydrophobicContact CG-CB 4.31Å |
| 10 | V | 94.7 | Very high | 83.5 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 165 | -177.1 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | I8 G22 I24 V35 L56 R57 L171 | I8-V10 HydrophobicContact CG2-CG1 4.46Å; V10-G22 PolarHBondContact N-O 3.06Å; V10-G22 CarbonylContact O-C 3.35Å; V10-G22 PolarHBondContact O-N 2.95Å; V10-I24 HydrophobicContact CG1-CD1 3.61Å; V10-I24 HydrophobicContact CG1-CG1 3.84Å; V10-I24 HydrophobicContact CG2-CG1 4.02Å; V10-V35 HydrophobicContact CG2-CG1 4.02Å; V10-L56 HydrophobicContact CG2-CD2 4.36Å; V10-R57 CarbonylContact C-O 3.58Å; V10-R57 WeakPolarHBondContact CA-O 3.47Å; V10-L171 HydrophobicContact CG1-CD1 4.13Å |
| 11 | E | 94.5 | Very high | 83.9 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.1 | 163.7 | -70.5 | 179.4 | -172.4 | 0 | 0 | 109.1 | F19 Y20 L56 R57 P59 P60 R163 | E11-F19 HydrophobicContact CB-CB 4.13Å; E11-F19 HydrophobicContact CB-CD1 4Å; E11-F19 HydrophobicContact CB-CG 4.49Å; E11-Y20 CarbonylContact C-O 3.57Å; E11-Y20 WeakPolarHBondContact CA-O 3.37Å; E11-L56 CarbonylContact O-C 3.55Å; E11-L56 WeakPolarHBondContact O-CA 3.4Å; E11-R57 HydrophobicContact CB-CG 3.86Å; E11-R57 PolarHBondContact N-O 2.84Å; E11-R57 PolarHBondContact O-N 3.4Å; E11-R57 IonicContact OE2-CZ 3.24Å; E11-R57 VanDerWaalsContact OE2-CZ 3.22Å; E11-R57 IonicContact OE2-NE 2.67Å; E11-R57 PolarHBondContact OE2-NE 3.02Å; E11-R57 IonicContact OE2-NH2 3.57Å; E11-R57 PolarHBondContact OE2-NH2 3.42Å; E11-P59 HydrophobicContact CG-CB 4.18Å; E11-P60 WeakPolarHBondContact OE1-CD 3.41Å; E11-R163 VanDerWaalsContact CD-NH2 3.27Å; E11-R163 IonicContact OE1-CZ 3.49Å; E11-R163 VanDerWaalsContact OE1-CZ 3.23Å; E11-R163 IonicContact OE1-NH1 3.59Å; E11-R163 PolarHBondContact OE1-NH1 3.46Å; E11-R163 IonicContact OE1-NH2 3.32Å; E11-R163 PolarHBondContact OE1-NH2 3.01Å; E11-R163 IonicContact OE2-CZ 2.72Å; E11-R163 IonicContact OE2-NH2 2.97Å; E11-R163 PolarHBondContact OE2-NH2 3.47Å |
| 12 | V | 94.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.7 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | G14 F19 Y20 V35 L37 L51 L56 I143 | V12-G14 PolarHBondContact O-N 2.99Å; V12-F19 WeakPolarHBondContact O-CA 3.32Å; V12-Y20 PolarHBondContact N-O 3.35Å; V12-Y20 PolarHBondContact O-N 3.28Å; V12-V35 HydrophobicContact CG2-CG1 3.73Å; V12-L37 HydrophobicContact CB-CD2 4Å; V12-L37 HydrophobicContact CG2-CD2 3.57Å; V12-L51 HydrophobicContact CG1-CD1 3.49Å; V12-L51 VanDerWaalsContact CG1-CD1 3.49Å; V12-L56 HydrophobicContact CB-CD2 4.26Å; V12-L56 HydrophobicContact CG1-CD2 4.17Å; V12-L56 HydrophobicContact CG2-CD2 3.81Å; V12-I143 HydrophobicContact CB-CD1 4.14Å; V12-I143 HydrophobicContact CG1-CD1 3.76Å; V12-I143 HydrophobicContact CG1-CG1 4Å; V12-I143 HydrophobicContact CG1-CG2 4.22Å |
| 13 | E | 93.6 | Very high | 88.9 | Confident | 27 Ų | 27 | 22.1 Ų | 22.1 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 117.4 | 179.3 | -166.1 | -179.5 | -139.2 | 0 | 0 | 111.1 | F19 S55 R142 I143 | E13-F19 HydrophobicContact CB-CD1 4.37Å; E13-F19 HydrophobicContact CB-CE1 3.76Å; E13-F19 HydrophobicContact CB-CZ 4.22Å; E13-F19 HydrophobicContact CG-CE1 3.92Å; E13-F19 HydrophobicContact CG-CZ 3.85Å; E13-S55 PolarHBondContact N-O 3.22Å; E13-R142 HydrophobicContact CB-CG 4.41Å; E13-R142 VanDerWaalsContact CD-CZ 3.43Å; E13-R142 HydrophobicContact CG-CG 4.22Å; E13-R142 WeakPolarHBondContact O-CA 3.22Å; E13-R142 WeakPolarHBondContact O-CB 3.44Å; E13-R142 IonicContact OE1-CZ 2.67Å; E13-R142 IonicContact OE1-NE 3.93Å; E13-R142 IonicContact OE1-NH2 2.7Å; E13-R142 PolarHBondContact OE1-NH2 2.68Å; E13-R142 IonicContact OE2-CZ 2.68Å; E13-R142 IonicContact OE2-NE 3.23Å; E13-R142 PolarHBondContact OE2-NE 3.32Å; E13-R142 IonicContact OE2-NH2 2.98Å; E13-R142 PolarHBondContact OE2-NH2 3.16Å; E13-I143 PolarHBondContact O-N 3.05Å |
| 14 | G | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -83 | -179.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V12 Y16 G17 E18 R142 I143 | V12-G14 PolarHBondContact O-N 2.99Å; G14-Y16 PolarHBondContact O-N 3.21Å; G14-G17 PolarHBondContact O-N 3Å; G14-E18 VanDerWaalsContact CA-CD 3.46Å; G14-E18 VanDerWaalsContact CA-OE1 3.32Å; G14-E18 WeakPolarHBondContact CA-OE1 3.49Å; G14-E18 PolarHBondContact N-O 3.44Å; G14-R142 WeakPolarHBondContact O-CD 3.47Å; G14-I143 CarbonylContact C-O 3.59Å; G14-I143 WeakPolarHBondContact CA-O 3.43Å |
| 15 | K | 88.7 | Confident | 91.9 | Very high | 55 Ų | 55 | 17 Ų | 17 | 24% | 0.239 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -45.7 | -165.8 | -173.6 | 177 | -160.7 | -179.3 | 0 | 112.5 | E18 E128 L138 R142 I143 | K15-E18 PolarHBondContact N-OE1 3.48Å; K15-E18 PolarHBondContact N-OE2 3.49Å; K15-E128 WeakPolarHBondContact CD-OE1 3.24Å; K15-E128 WeakPolarHBondContact CE-OE1 3.31Å; K15-E128 IonicContact NZ-OE1 3.13Å; K15-E128 PolarHBondContact NZ-OE1 2.91Å; K15-E128 IonicContact NZ-OE2 3.19Å; K15-E128 PolarHBondContact NZ-OE2 3.47Å; K15-L138 HydrophobicContact CB-CD1 4.03Å; K15-L138 HydrophobicContact CD-CD1 3.93Å; K15-L138 HydrophobicContact CG-CD1 3.65Å; K15-R142 PolarHBondContact O-NH1 2.8Å; K15-I143 PolarHBondContact N-O 2.96Å |
| 16 | Y | 86.9 | Confident | 92.6 | Very high | 36 Ų | 36 | 13.8 Ų | 13.8 | 14% | 0.141 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 1.3 | -175.2 | -52.1 | -80.9 | 0 | 0 | 0 | 113 | G14 E18 W105 F125 E128 H147 | G14-Y16 PolarHBondContact O-N 3.21Å; Y16-E18 VanDerWaalsContact CA-OE2 3.27Å; Y16-E18 WeakPolarHBondContact CA-OE2 3.25Å; Y16-E18 WeakPolarHBondContact CB-OE2 3.41Å; Y16-E18 PolarHBondContact N-OE2 2.97Å; Y16-W105 AromaticContact CD2-CH2 3.86Å; Y16-W105 HydrophobicContact CD2-CH2 3.86Å; Y16-W105 AromaticContact CD2-CZ3 3.97Å; Y16-W105 HydrophobicContact CD2-CZ3 3.97Å; Y16-W105 HydrophobicContact CE2-CH2 4.45Å; Y16-W105 HydrophobicContact CG-CZ3 4.23Å; Y16-F125 HydrophobicContact CD1-CD1 4.03Å; Y16-F125 HydrophobicContact CD1-CE1 4.37Å; Y16-F125 AromaticContact CE1-CD1 3.8Å; Y16-F125 HydrophobicContact CE1-CD1 3.8Å; Y16-F125 HydrophobicContact CE1-CE1 4.44Å; Y16-F125 HydrophobicContact CG-CD1 4.48Å; Y16-F125 HydrophobicContact CG-CE1 4.39Å; Y16-E128 HydrophobicContact CE1-CG 4.21Å; Y16-E128 VanDerWaalsContact OH-CD 3.3Å; Y16-E128 WeakPolarHBondContact OH-CG 3.34Å; Y16-H147 AromaticContact CE2-CD2 3.78Å; Y16-H147 PolarHBondContact OH-NE2 2.92Å |
| 17 | G | 88.5 | Confident | 92.7 | Very high | 11 Ų | 11 | 14 Ų | 14 | 11% | 0.113 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 90.5 | 13.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G14 F19 P106 | G14-G17 PolarHBondContact O-N 3Å; G17-F19 VanDerWaalsContact O-CD2 3.27Å; G17-F19 WeakPolarHBondContact O-CD2 3.28Å; G17-F19 WeakPolarHBondContact O-CE2 3.33Å; G17-P106 WeakPolarHBondContact O-CD 3.47Å; G17-P106 WeakPolarHBondContact O-CG 3.28Å |
| 18 | E | 91.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | trans | -70.4 | 157.5 | 162.9 | 79.4 | -74.8 | -169 | 0 | 0 | 111.6 | G14 K15 Y16 Y20 A103 W104 W105 | G14-E18 VanDerWaalsContact CA-CD 3.46Å; G14-E18 VanDerWaalsContact CA-OE1 3.32Å; G14-E18 WeakPolarHBondContact CA-OE1 3.49Å; G14-E18 PolarHBondContact N-O 3.44Å; K15-E18 PolarHBondContact N-OE1 3.48Å; K15-E18 PolarHBondContact N-OE2 3.49Å; Y16-E18 VanDerWaalsContact CA-OE2 3.27Å; Y16-E18 WeakPolarHBondContact CA-OE2 3.25Å; Y16-E18 WeakPolarHBondContact CB-OE2 3.41Å; Y16-E18 PolarHBondContact N-OE2 2.97Å; E18-Y20 HydrophobicContact CG-CD2 4.19Å; E18-Y20 HydrophobicContact CG-CE2 3.4Å; E18-Y20 VanDerWaalsContact CG-CE2 3.4Å; E18-A103 HydrophobicContact CB-CB 4.16Å; E18-A103 HydrophobicContact CG-CB 4.07Å; E18-W104 CarbonylContact C-O 3.6Å; E18-W104 WeakPolarHBondContact CA-O 3.33Å; E18-W105 HydrophobicContact CB-CD2 3.58Å; E18-W105 HydrophobicContact CB-CE3 3.72Å; E18-W105 HydrophobicContact CB-CG 4.07Å; E18-W105 HydrophobicContact CB-CH2 4.1Å; E18-W105 HydrophobicContact CB-CZ2 4Å; E18-W105 HydrophobicContact CB-CZ3 3.98Å; E18-W105 HydrophobicContact CG-CD2 4.4Å; E18-W105 HydrophobicContact CG-CE3 4.5Å; E18-W105 HydrophobicContact CG-CH2 3.98Å; E18-W105 HydrophobicContact CG-CZ2 3.89Å; E18-W105 HydrophobicContact CG-CZ3 4.3Å | ||
| 19 | F | 92.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 112.4 | -173.2 | -78.7 | -84 | 0 | 0 | 0 | 112.6 | E11 V12 E13 G17 R57 A103 W104 | E11-F19 HydrophobicContact CB-CB 4.13Å; E11-F19 HydrophobicContact CB-CD1 4Å; E11-F19 HydrophobicContact CB-CG 4.49Å; V12-F19 WeakPolarHBondContact O-CA 3.32Å; E13-F19 HydrophobicContact CB-CD1 4.37Å; E13-F19 HydrophobicContact CB-CE1 3.76Å; E13-F19 HydrophobicContact CB-CZ 4.22Å; E13-F19 HydrophobicContact CG-CE1 3.92Å; E13-F19 HydrophobicContact CG-CZ 3.85Å; G17-F19 VanDerWaalsContact O-CD2 3.27Å; G17-F19 WeakPolarHBondContact O-CD2 3.28Å; G17-F19 WeakPolarHBondContact O-CE2 3.33Å; F19-R57 HydrophobicContact CD1-CG 3.91Å; F19-R57 VanDerWaalsContact CD1-NE 3.34Å; F19-R57 VanDerWaalsContact CD2-CZ 3.46Å; F19-R57 VanDerWaalsContact CE1-CD 3.47Å; F19-R57 HydrophobicContact CE1-CG 3.79Å; F19-A103 WeakPolarHBondContact O-CA 3.39Å; F19-W104 HydrophobicContact CB-CB 4.28Å; F19-W104 PolarHBondContact N-O 3.45Å; F19-W104 PolarHBondContact O-N 3.41Å |
| 20 | Y | 93 | Very high | 92.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.1 | -179.2 | -68.5 | -89 | 0 | 0 | 0 | 111.5 | E11 V12 E18 L101 A103 I143 V145 | E11-Y20 CarbonylContact C-O 3.57Å; E11-Y20 WeakPolarHBondContact CA-O 3.37Å; V12-Y20 PolarHBondContact N-O 3.35Å; V12-Y20 PolarHBondContact O-N 3.28Å; E18-Y20 HydrophobicContact CG-CD2 4.19Å; E18-Y20 HydrophobicContact CG-CE2 3.4Å; E18-Y20 VanDerWaalsContact CG-CE2 3.4Å; Y20-L101 HydrophobicContact CD1-CB 4.13Å; Y20-L101 HydrophobicContact CD1-CD1 4.39Å; Y20-L101 HydrophobicContact CD1-CD2 4.46Å; Y20-L101 HydrophobicContact CE1-CB 4.03Å; Y20-L101 HydrophobicContact CE1-CD1 4.39Å; Y20-A103 HydrophobicContact CD1-CB 3.8Å; Y20-A103 HydrophobicContact CD2-CB 4.25Å; Y20-A103 HydrophobicContact CE1-CB 3.58Å; Y20-A103 HydrophobicContact CE2-CB 4.06Å; Y20-A103 HydrophobicContact CG-CB 4.11Å; Y20-I143 HydrophobicContact CD2-CD1 3.58Å; Y20-I143 HydrophobicContact CD2-CG1 4.16Å; Y20-I143 HydrophobicContact CE2-CD1 4.27Å; Y20-I143 HydrophobicContact CG-CD1 4Å; Y20-V145 HydrophobicContact CD1-CG2 4.35Å; Y20-V145 HydrophobicContact CD2-CG2 4.32Å; Y20-V145 HydrophobicContact CE1-CB 4.11Å; Y20-V145 HydrophobicContact CE1-CG1 4.1Å; Y20-V145 HydrophobicContact CE1-CG2 3.79Å; Y20-V145 HydrophobicContact CE2-CB 4.19Å; Y20-V145 HydrophobicContact CE2-CG2 3.75Å; Y20-V145 WeakPolarHBondContact OH-CB 3.11Å |
| 21 | P | 92.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 7% | 0.065 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 135.4 | 173.7 | -22.7 | 34.2 | 0 | 0 | 0 | 112.9 | L38 H42 S102 | P21-L38 PolarHBondContact O-N 3.34Å; P21-H42 WeakPolarHBondContact CB-CE1 3.2Å; P21-H42 VanDerWaalsContact CG-CE1 3.41Å; P21-H42 WeakPolarHBondContact CG-CE1 3.47Å; P21-S102 WeakPolarHBondContact CD-O 3.29Å |
| 22 | G | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 178 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | V10 T36 | V10-G22 PolarHBondContact N-O 3.06Å; V10-G22 CarbonylContact O-C 3.35Å; V10-G22 PolarHBondContact O-N 2.95Å; G22-T36 CarbonylContact C-O 3.44Å; G22-T36 WeakPolarHBondContact CA-O 3.3Å |
| 23 | V | 94.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.1 | 176.5 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | L4 C7 I8 N25 V35 T36 L38 | L4-V23 HydrophobicContact CD2-CG1 4.35Å; L4-V23 HydrophobicContact CD2-CG2 3.85Å; C7-V23 HydrophobicContact CB-CB 4.03Å; I8-V23 CarbonylContact O-C 3.59Å; I8-V23 WeakPolarHBondContact O-CA 3.48Å; V23-N25 PolarHBondContact O-N 2.82Å; V23-V35 CarbonylContact O-C 3.58Å; V23-V35 WeakPolarHBondContact O-CA 3.5Å; V23-T36 PolarHBondContact N-O 3.23Å; V23-T36 PolarHBondContact O-N 2.75Å; V23-L38 HydrophobicContact CG1-CD1 4.23Å; V23-L38 HydrophobicContact CG1-CD2 4.45Å; V23-L38 HydrophobicContact CG2-CD2 4.25Å |
| 24 | I | 95.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 113.3 | 167.8 | -52.5 | 164.7 | 0 | 0 | 0 | 107.7 | C7 I8 V10 L33 N34 V35 L56 F176 L209 | C7-I24 WeakPolarHBondContact CA-O 3.35Å; C7-I24 WeakPolarHBondContact CB-O 3.14Å; I8-I24 HydrophobicContact CB-CB 4.29Å; I8-I24 HydrophobicContact CB-CD1 4.16Å; I8-I24 HydrophobicContact CG2-CD1 4.3Å; I8-I24 PolarHBondContact N-O 2.9Å; I8-I24 PolarHBondContact O-N 3.38Å; V10-I24 HydrophobicContact CG1-CD1 3.61Å; V10-I24 HydrophobicContact CG1-CG1 3.84Å; V10-I24 HydrophobicContact CG2-CG1 4.02Å; I24-L33 HydrophobicContact CD1-CD1 3.97Å; I24-L33 HydrophobicContact CG2-CB 4.16Å; I24-N34 WeakPolarHBondContact CA-O 3.43Å; I24-N34 WeakPolarHBondContact CG2-O 3.31Å; I24-V35 HydrophobicContact CG1-CG2 4.3Å; I24-L56 HydrophobicContact CD1-CD1 4.23Å; I24-L56 HydrophobicContact CG1-CD1 4.26Å; I24-F176 HydrophobicContact CD1-CE1 3.67Å; I24-F176 HydrophobicContact CD1-CZ 3.64Å; I24-L209 HydrophobicContact CG2-CD2 3.99Å |
| 25 | N | 92.6 | Very high | 92 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -8.5 | -175.6 | 71.7 | -9.6 | 0 | 0 | 0 | 113.3 | V23 N34 T36 E48 L209 | V23-N25 PolarHBondContact O-N 2.82Å; N25-N34 PolarHBondContact N-O 3.21Å; N25-N34 VanDerWaalsContact N-O 3.1Å; N25-N34 WeakPolarHBondContact OD1-CB 2.9Å; N25-N34 PolarHBondContact OD1-O 2.78Å; N25-N34 VanDerWaalsContact OD1-O 3.06Å; N25-T36 PolarHBondContact ND2-OG1 2.69Å; N25-T36 VanDerWaalsContact ND2-OG1 3.11Å; N25-E48 PolarHBondContact ND2-OE1 2.91Å; N25-E48 PolarHBondContact OD1-OE1 2.95Å; N25-L209 VanDerWaalsContact C-CD1 3.42Å; N25-L209 WeakPolarHBondContact O-CD1 3.37Å |
| 26 | G | 92.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -174.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | N34 | G26-N34 PolarHBondContact O-N 3.01Å |
| 27 | L | 93.2 | Very high | 92.5 | Very high | 16 Ų | 16 | 25.5 Ų | 25.5 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 155.6 | 176.4 | 77 | 174.9 | 0 | 0 | 0 | 112.3 | L30 E32 L33 T211 P214 L238 I240 | L27-L30 HydrophobicContact CD1-CD2 3.72Å; L27-E32 WeakPolarHBondContact CA-O 3.4Å; L27-L33 HydrophobicContact CB-CD2 3.88Å; L27-L33 HydrophobicContact CD1-CD2 4.41Å; L27-T211 HydrophobicContact CD2-CG2 3.55Å; L27-P214 HydrophobicContact CG-CG 4.4Å; L27-L238 HydrophobicContact CD2-CD1 4.47Å; L27-I240 HydrophobicContact CD1-CD1 3.82Å; L27-I240 HydrophobicContact CD2-CD1 3.84Å |
| 28 | K | 90.3 | Very high | 92.6 | Very high | 101 Ų | 101 | 25.6 Ų | 25.6 | 44% | 0.439 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -36.9 | 167.8 | -62.1 | 164.9 | -179.9 | 167.1 | 0 | 111.3 | E32 T50 P214 T216 | K28-E32 HydrophobicContact CB-CB 3.98Å; K28-E32 HydrophobicContact CD-CB 4.44Å; K28-E32 VanDerWaalsContact CD-OE2 3.23Å; K28-E32 WeakPolarHBondContact CD-OE2 3.26Å; K28-E32 PolarHBondContact N-O 3.2Å; K28-T50 HydrophobicContact CD-CG2 4.11Å; K28-T50 WeakPolarHBondContact CE-OG1 3.38Å; K28-T50 PolarHBondContact NZ-OG1 2.85Å; K28-P214 WeakPolarHBondContact O-CG 3.47Å; K28-T216 PolarHBondContact O-OG1 3.48Å |
| 29 | S | 90.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 177.3 | 170.7 | 81.7 | 0 | 0 | 0 | 0 | 108.3 | E31 E32 | S29-E31 PolarHBondContact O-N 2.87Å; S29-E31 PolarHBondContact OG-N 2.81Å; S29-E31 VanDerWaalsContact OG-N 3.08Å; S29-E32 PolarHBondContact N-O 2.79Å; S29-E32 CarbonylContact O-C 3.04Å; S29-E32 PolarHBondContact O-N 3.42Å; S29-E32 VanDerWaalsContact O-O 3.09Å; S29-E32 PolarHBondContact OG-N 2.81Å; S29-E32 VanDerWaalsContact OG-N 3.12Å |
| 30 | L | 88.1 | Confident | 91.8 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.1 | 173.8 | -60.5 | 174.1 | 0 | 0 | 0 | 113.5 | L27 P53 V173 I178 F217 | L27-L30 HydrophobicContact CD1-CD2 3.72Å; L30-P53 WeakPolarHBondContact O-CD 3.25Å; L30-P53 WeakPolarHBondContact O-CG 3.45Å; L30-V173 HydrophobicContact CB-CG1 3.83Å; L30-V173 HydrophobicContact CB-CG2 4.13Å; L30-V173 HydrophobicContact CD1-CG1 3.82Å; L30-V173 HydrophobicContact CG-CG1 4.45Å; L30-I178 HydrophobicContact CD1-CD1 3.85Å; L30-I178 HydrophobicContact CD2-CD1 3.61Å; L30-I178 HydrophobicContact CG-CD1 4.34Å; L30-F217 HydrophobicContact CD1-CZ 3.79Å; L30-F217 HydrophobicContact CD2-CZ 4.25Å; L30-F217 HydrophobicContact CG-CE2 4.13Å; L30-F217 HydrophobicContact CG-CZ 3.75Å |
| 31 | E | 91.5 | Very high | 91.2 | Very high | 140 Ų | 140 | 32 Ų | 32 | 65% | 0.654 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -7.9 | 173.1 | -59.5 | -179.3 | 168.8 | 0 | 0 | 112 | S29 P52 V173 | S29-E31 PolarHBondContact O-N 2.87Å; S29-E31 PolarHBondContact OG-N 2.81Å; S29-E31 VanDerWaalsContact OG-N 3.08Å; E31-P52 VanDerWaalsContact O-CA 3.28Å; E31-P52 WeakPolarHBondContact O-CA 3.38Å; E31-V173 HydrophobicContact CG-CG2 4.13Å |
| 32 | E | 92.5 | Very high | 90.5 | Very high | 83 Ų | 83 | 36 Ų | 36 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 81.4 | -178.9 | -73.5 | -154.7 | 150.1 | 0 | 0 | 110.3 | L27 K28 S29 T50 | L27-E32 WeakPolarHBondContact CA-O 3.4Å; K28-E32 HydrophobicContact CB-CB 3.98Å; K28-E32 HydrophobicContact CD-CB 4.44Å; K28-E32 VanDerWaalsContact CD-OE2 3.23Å; K28-E32 WeakPolarHBondContact CD-OE2 3.26Å; K28-E32 PolarHBondContact N-O 3.2Å; S29-E32 PolarHBondContact N-O 2.79Å; S29-E32 CarbonylContact O-C 3.04Å; S29-E32 PolarHBondContact O-N 3.42Å; S29-E32 VanDerWaalsContact O-O 3.09Å; S29-E32 PolarHBondContact OG-N 2.81Å; S29-E32 VanDerWaalsContact OG-N 3.12Å; E32-T50 HydrophobicContact CB-CG2 3.54Å; E32-T50 HydrophobicContact CG-CG2 3.89Å |
| 33 | L | 94.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.8 | 175.7 | -56.3 | 179.9 | 0 | 0 | 0 | 109.7 | I24 L27 V35 T50 L51 P53 L56 F176 | I24-L33 HydrophobicContact CD1-CD1 3.97Å; I24-L33 HydrophobicContact CG2-CB 4.16Å; L27-L33 HydrophobicContact CB-CD2 3.88Å; L27-L33 HydrophobicContact CD1-CD2 4.41Å; L33-V35 HydrophobicContact CB-CG2 4.26Å; L33-T50 CarbonylContact O-C 3.6Å; L33-T50 VanDerWaalsContact O-CA 3.3Å; L33-T50 WeakPolarHBondContact O-CA 3.16Å; L33-L51 WeakPolarHBondContact CB-O 3.42Å; L33-L51 PolarHBondContact N-O 3.41Å; L33-L51 PolarHBondContact O-N 3.25Å; L33-P53 HydrophobicContact CD1-CG 3.97Å; L33-P53 HydrophobicContact CG-CG 4.44Å; L33-L56 HydrophobicContact CD1-CD1 3.89Å; L33-F176 HydrophobicContact CD1-CE2 3.8Å; L33-F176 HydrophobicContact CD1-CZ 3.7Å |
| 34 | N | 94.1 | Very high | 89 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.7 | 167.9 | -78.3 | 21.8 | 0 | 0 | 0 | 108.9 | I24 N25 G26 E48 F49 T50 | I24-N34 WeakPolarHBondContact CA-O 3.43Å; I24-N34 WeakPolarHBondContact CG2-O 3.31Å; N25-N34 PolarHBondContact N-O 3.21Å; N25-N34 VanDerWaalsContact N-O 3.1Å; N25-N34 WeakPolarHBondContact OD1-CB 2.9Å; N25-N34 PolarHBondContact OD1-O 2.78Å; N25-N34 VanDerWaalsContact OD1-O 3.06Å; G26-N34 PolarHBondContact O-N 3.01Å; N34-E48 PolarHBondContact ND2-OE1 2.87Å; N34-F49 WeakPolarHBondContact CA-O 3.48Å; N34-T50 PolarHBondContact OD1-OG1 2.9Å |
| 35 | V | 95 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.6 | -173.7 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | V10 V12 V23 I24 L33 E48 F49 L51 L56 | V10-V35 HydrophobicContact CG2-CG1 4.02Å; V12-V35 HydrophobicContact CG2-CG1 3.73Å; V23-V35 CarbonylContact O-C 3.58Å; V23-V35 WeakPolarHBondContact O-CA 3.5Å; I24-V35 HydrophobicContact CG1-CG2 4.3Å; L33-V35 HydrophobicContact CB-CG2 4.26Å; V35-E48 CarbonylContact O-C 3.57Å; V35-E48 WeakPolarHBondContact O-CA 3.48Å; V35-F49 PolarHBondContact N-O 2.97Å; V35-F49 PolarHBondContact O-N 3.3Å; V35-L51 HydrophobicContact CB-CD1 4.35Å; V35-L51 HydrophobicContact CG2-CB 4.29Å; V35-L56 HydrophobicContact CG1-CD2 4.18Å; V35-L56 HydrophobicContact CG2-CD1 3.82Å; V35-L56 HydrophobicContact CG2-CD2 4.07Å |
| 36 | T | 93.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.3 | 175.8 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | I2 G22 V23 N25 A45 V47 | I2-T36 HydrophobicContact CD1-CG2 4.2Å; G22-T36 CarbonylContact C-O 3.44Å; G22-T36 WeakPolarHBondContact CA-O 3.3Å; V23-T36 PolarHBondContact N-O 3.23Å; V23-T36 PolarHBondContact O-N 2.75Å; N25-T36 PolarHBondContact ND2-OG1 2.69Å; N25-T36 VanDerWaalsContact ND2-OG1 3.11Å; T36-A45 HydrophobicContact CG2-CB 3.48Å; T36-A45 VanDerWaalsContact CG2-CB 3.48Å; T36-V47 CarbonylContact C-O 3.49Å; T36-V47 WeakPolarHBondContact CA-O 3.39Å |
| 37 | L | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 144.6 | 168.8 | -64.1 | -174.7 | 0 | 0 | 0 | 110.8 | V12 L46 V47 F49 L101 I143 | V12-L37 HydrophobicContact CB-CD2 4Å; V12-L37 HydrophobicContact CG2-CD2 3.57Å; L37-L46 PolarHBondContact O-N 3.18Å; L37-V47 PolarHBondContact N-O 3.36Å; L37-F49 HydrophobicContact CD1-CE2 3.75Å; L37-F49 HydrophobicContact CG-CD2 4.34Å; L37-F49 HydrophobicContact CG-CE2 3.91Å; L37-L101 HydrophobicContact CB-CD2 4Å; L37-L101 HydrophobicContact CD1-CD1 4.07Å; L37-L101 HydrophobicContact CD1-CD2 4.05Å; L37-I143 HydrophobicContact CD1-CD1 3.78Å; L37-I143 HydrophobicContact CD2-CD1 4.12Å |
| 38 | L | 89.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 156.5 | 175.5 | -54.9 | -179.6 | 0 | 0 | 0 | 111.3 | L4 P21 V23 H42 K44 L101 | L4-L38 HydrophobicContact CD1-CD2 4.23Å; L4-L38 HydrophobicContact CD2-CD2 3.9Å; P21-L38 PolarHBondContact O-N 3.34Å; V23-L38 HydrophobicContact CG1-CD1 4.23Å; V23-L38 HydrophobicContact CG1-CD2 4.45Å; V23-L38 HydrophobicContact CG2-CD2 4.25Å; L38-H42 HydrophobicContact CD1-CB 4.11Å; L38-K44 CarbonylContact C-O 3.58Å; L38-K44 WeakPolarHBondContact CA-O 3.38Å; L38-L101 WeakPolarHBondContact O-CD2 3.24Å |
| 39 | D | 86.3 | Confident | 87.3 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 170.5 | 169.8 | 80 | -53.9 | 0 | 0 | 0 | 112.9 | S41 H42 S43 K44 L46 K100 | D39-S41 VanDerWaalsContact CG-OG 3.24Å; D39-S41 PolarHBondContact O-N 2.94Å; D39-S41 PolarHBondContact OD1-OG 3.41Å; D39-S41 WeakPolarHBondContact OD2-CB 3.3Å; D39-S41 PolarHBondContact OD2-N 3.45Å; D39-S41 VanDerWaalsContact OD2-N 3.16Å; D39-S41 PolarHBondContact OD2-OG 3.12Å; D39-H42 WeakPolarHBondContact O-CA 3.39Å; D39-H42 PolarHBondContact O-N 2.91Å; D39-H42 PolarHBondContact OD1-N 3.34Å; D39-S43 PolarHBondContact OD1-N 3.34Å; D39-K44 HydrophobicContact CB-CB 4.22Å; D39-K44 PolarHBondContact N-O 2.99Å; D39-K44 PolarHBondContact OD1-N 3.11Å; D39-L46 HydrophobicContact CB-CD1 3.73Å; D39-L46 HydrophobicContact CB-CD2 4.26Å; D39-L46 HydrophobicContact CB-CG 3.96Å; D39-K100 CarbonylContact C-O 3.12Å; D39-K100 VanDerWaalsContact CA-O 3.28Å; D39-K100 WeakPolarHBondContact CA-O 3.38Å |
| 40 | S | 81.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.5 | 176 | -53.1 | 0 | 0 | 0 | 0 | 114.8 | K100 S102 | S40-K100 PolarHBondContact N-O 3.16Å; S40-K100 PolarHBondContact OG-O 3.37Å; S40-S102 VanDerWaalsContact CB-OG 3.29Å; S40-S102 WeakPolarHBondContact CB-OG 3.31Å; S40-S102 PolarHBondContact OG-OG 2.86Å |
| 41 | S | 79.5 | Confident | 87.7 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.2 | 175 | 75.9 | 0 | 0 | 0 | 0 | 114.6 | D39 S43 | D39-S41 VanDerWaalsContact CG-OG 3.24Å; D39-S41 PolarHBondContact O-N 2.94Å; D39-S41 PolarHBondContact OD1-OG 3.41Å; D39-S41 WeakPolarHBondContact OD2-CB 3.3Å; D39-S41 PolarHBondContact OD2-N 3.45Å; D39-S41 VanDerWaalsContact OD2-N 3.16Å; D39-S41 PolarHBondContact OD2-OG 3.12Å; S41-S43 PolarHBondContact O-N 3.09Å; S41-S43 VanDerWaalsContact O-N 3.16Å; S41-S43 WeakPolarHBondContact OG-CB 3.25Å; S41-S43 PolarHBondContact OG-OG 3.03Å |
| 42 | H | 79 | Confident | 87.9 | Confident | 94 Ų | 94 | 41.9 Ų | 41.9 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 55.2 | 22.2 | -173.9 | -63.5 | -116.5 | 0 | 0 | 0 | 114.3 | P21 L38 D39 | P21-H42 WeakPolarHBondContact CB-CE1 3.2Å; P21-H42 VanDerWaalsContact CG-CE1 3.41Å; P21-H42 WeakPolarHBondContact CG-CE1 3.47Å; L38-H42 HydrophobicContact CD1-CB 4.11Å; D39-H42 WeakPolarHBondContact O-CA 3.39Å; D39-H42 PolarHBondContact O-N 2.91Å; D39-H42 PolarHBondContact OD1-N 3.34Å |
| 43 | S | 76.3 | Confident | 88 | Confident | 74 Ų | 74 | 38.2 Ų | 38.2 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | trans | -113.6 | -22.2 | -171.5 | 77.3 | 0 | 0 | 0 | 0 | 114.4 | D39 S41 | D39-S43 PolarHBondContact OD1-N 3.34Å; S41-S43 PolarHBondContact O-N 3.09Å; S41-S43 VanDerWaalsContact O-N 3.16Å; S41-S43 WeakPolarHBondContact OG-CB 3.25Å; S41-S43 PolarHBondContact OG-OG 3.03Å | ||
| 44 | K | 79.6 | Confident | 88 | Confident | 130 Ų | 130 | 41.4 Ų | 41.4 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -117.6 | 133.5 | -179.7 | -65.5 | 178.3 | -178 | 176.2 | 0 | 110.5 | L38 D39 | L38-K44 CarbonylContact C-O 3.58Å; L38-K44 WeakPolarHBondContact CA-O 3.38Å; D39-K44 HydrophobicContact CB-CB 4.22Å; D39-K44 PolarHBondContact N-O 2.99Å; D39-K44 PolarHBondContact OD1-N 3.11Å |
| 45 | A | 80 | Confident | 88 | Confident | 44 Ų | 44 | 40 Ų | 40 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 132.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I2 T36 | I2-A45 HydrophobicContact CD1-CB 3.65Å; I2-A45 HydrophobicContact CG1-CB 4.2Å; T36-A45 HydrophobicContact CG2-CB 3.48Å; T36-A45 VanDerWaalsContact CG2-CB 3.48Å |
| 46 | L | 81.3 | Confident | 88 | Confident | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -53.8 | -176.9 | -70.3 | -175.9 | 0 | 0 | 0 | 114 | L37 D39 I97 K100 L101 | L37-L46 PolarHBondContact O-N 3.18Å; D39-L46 HydrophobicContact CB-CD1 3.73Å; D39-L46 HydrophobicContact CB-CD2 4.26Å; D39-L46 HydrophobicContact CB-CG 3.96Å; L46-I97 HydrophobicContact CB-CG2 3.79Å; L46-I97 HydrophobicContact CD1-CG2 4.24Å; L46-I97 HydrophobicContact CD2-CG2 4.39Å; L46-I97 HydrophobicContact CG-CG2 4.37Å; L46-K100 HydrophobicContact CD1-CB 3.73Å; L46-K100 WeakPolarHBondContact CD1-O 3.36Å; L46-K100 HydrophobicContact CD2-CB 4.32Å; L46-L101 HydrophobicContact CD1-CD2 3.72Å; L46-L101 HydrophobicContact CD1-CG 4.04Å |
| 47 | V | 85.6 | Confident | 88 | Confident | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140 | -179.3 | -161.8 | 0 | 0 | 0 | 0 | 110 | T36 L37 F49 I97 | T36-V47 CarbonylContact C-O 3.49Å; T36-V47 WeakPolarHBondContact CA-O 3.39Å; L37-V47 PolarHBondContact N-O 3.36Å; V47-F49 HydrophobicContact CB-CE2 3.74Å; V47-F49 HydrophobicContact CB-CZ 3.74Å; V47-F49 HydrophobicContact CG1-CE1 3.75Å; V47-F49 HydrophobicContact CG1-CE2 3.73Å; V47-F49 HydrophobicContact CG1-CZ 3.28Å; V47-I97 HydrophobicContact CG2-CB 4.42Å; V47-I97 HydrophobicContact CG2-CD1 4.26Å; V47-I97 HydrophobicContact CG2-CG2 3.55Å |
| 48 | E | 90.2 | Very high | 88.1 | Confident | 99 Ų | 99 | 42.7 Ų | 42.7 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.9 | 176.5 | -173.9 | 175.6 | -170.3 | 0 | 0 | 111.2 | N25 N34 V35 | N25-E48 PolarHBondContact ND2-OE1 2.91Å; N25-E48 PolarHBondContact OD1-OE1 2.95Å; N34-E48 PolarHBondContact ND2-OE1 2.87Å; V35-E48 CarbonylContact O-C 3.57Å; V35-E48 WeakPolarHBondContact O-CA 3.48Å |
| 49 | F | 90.6 | Very high | 88.1 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.1 | -179.8 | -56.9 | -74.4 | 0 | 0 | 0 | 111 | N34 V35 L37 V47 L51 V135 V137 I143 | N34-F49 WeakPolarHBondContact CA-O 3.48Å; V35-F49 PolarHBondContact N-O 2.97Å; V35-F49 PolarHBondContact O-N 3.3Å; L37-F49 HydrophobicContact CD1-CE2 3.75Å; L37-F49 HydrophobicContact CG-CD2 4.34Å; L37-F49 HydrophobicContact CG-CE2 3.91Å; V47-F49 HydrophobicContact CB-CE2 3.74Å; V47-F49 HydrophobicContact CB-CZ 3.74Å; V47-F49 HydrophobicContact CG1-CE1 3.75Å; V47-F49 HydrophobicContact CG1-CE2 3.73Å; V47-F49 HydrophobicContact CG1-CZ 3.28Å; F49-L51 HydrophobicContact CB-CD1 4.17Å; F49-L51 HydrophobicContact CB-CD2 4.27Å; F49-L51 HydrophobicContact CB-CG 3.88Å; F49-V135 HydrophobicContact CE1-CG1 4.31Å; F49-V135 HydrophobicContact CE2-CG1 4.17Å; F49-V135 HydrophobicContact CZ-CB 3.99Å; F49-V135 HydrophobicContact CZ-CG1 3.48Å; F49-V135 VanDerWaalsContact CZ-CG1 3.48Å; F49-V137 HydrophobicContact CB-CG2 4.24Å; F49-V137 HydrophobicContact CD1-CG2 3.43Å; F49-V137 VanDerWaalsContact CD1-CG2 3.43Å; F49-V137 HydrophobicContact CE1-CG2 4.05Å; F49-V137 HydrophobicContact CG-CG2 4.05Å; F49-I143 HydrophobicContact CD2-CG2 4.43Å; F49-I143 HydrophobicContact CE2-CG2 4.45Å |
| 50 | T | 93.4 | Very high | 88.2 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.4 | 162.2 | -60.2 | 0 | 0 | 0 | 0 | 109 | K28 E32 L33 N34 | K28-T50 HydrophobicContact CD-CG2 4.11Å; K28-T50 WeakPolarHBondContact CE-OG1 3.38Å; K28-T50 PolarHBondContact NZ-OG1 2.85Å; E32-T50 HydrophobicContact CB-CG2 3.54Å; E32-T50 HydrophobicContact CG-CG2 3.89Å; L33-T50 CarbonylContact O-C 3.6Å; L33-T50 VanDerWaalsContact O-CA 3.3Å; L33-T50 WeakPolarHBondContact O-CA 3.16Å; N34-T50 PolarHBondContact OD1-OG1 2.9Å |
| 51 | L | 94.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.8 | -173.9 | -62.1 | 177.2 | 0 | 0 | 0 | 111.1 | V12 L33 V35 F49 L56 V137 I143 | V12-L51 HydrophobicContact CG1-CD1 3.49Å; V12-L51 VanDerWaalsContact CG1-CD1 3.49Å; L33-L51 WeakPolarHBondContact CB-O 3.42Å; L33-L51 PolarHBondContact N-O 3.41Å; L33-L51 PolarHBondContact O-N 3.25Å; V35-L51 HydrophobicContact CB-CD1 4.35Å; V35-L51 HydrophobicContact CG2-CB 4.29Å; F49-L51 HydrophobicContact CB-CD1 4.17Å; F49-L51 HydrophobicContact CB-CD2 4.27Å; F49-L51 HydrophobicContact CB-CG 3.88Å; L51-L56 HydrophobicContact CD1-CD2 4.24Å; L51-V137 HydrophobicContact CD2-CG1 3.79Å; L51-V137 HydrophobicContact CD2-CG2 4.06Å; L51-I143 HydrophobicContact CD1-CG2 4.33Å; L51-I143 HydrophobicContact CD2-CG2 4.5Å |
| 52 | P | 95 | Very high | 87.6 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | trans | -77.7 | 158 | 173.4 | 34.7 | -35.8 | 0 | 0 | 0 | 111.1 | E31 S54 S55 K141 | E31-P52 VanDerWaalsContact O-CA 3.28Å; E31-P52 WeakPolarHBondContact O-CA 3.38Å; P52-S54 PolarHBondContact O-N 3.05Å; P52-S54 VanDerWaalsContact O-N 3.11Å; P52-S55 WeakPolarHBondContact CG-OG 3.48Å; P52-S55 PolarHBondContact O-N 3.36Å; P52-S55 VanDerWaalsContact O-N 3.11Å; P52-K141 HydrophobicContact CG-CB 3.75Å; P52-K141 HydrophobicContact CG-CG 4.03Å | ||
| 53 | P | 95.2 | Very high | 86.8 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -49.3 | -36.4 | 171.1 | -28.9 | 35.1 | 0 | 0 | 0 | 113.8 | L30 L33 S55 L56 L171 V173 F176 | L30-P53 WeakPolarHBondContact O-CD 3.25Å; L30-P53 WeakPolarHBondContact O-CG 3.45Å; L33-P53 HydrophobicContact CD1-CG 3.97Å; L33-P53 HydrophobicContact CG-CG 4.44Å; P53-S55 PolarHBondContact O-N 2.76Å; P53-S55 VanDerWaalsContact O-N 3.11Å; P53-L56 PolarHBondContact O-N 3.29Å; P53-L56 VanDerWaalsContact O-O 3.12Å; P53-L171 CarbonylContact C-O 3.46Å; P53-L171 HydrophobicContact CB-CB 4.03Å; P53-L171 WeakPolarHBondContact CB-O 3.41Å; P53-L171 CarbonylContact O-C 3.57Å; P53-L171 WeakPolarHBondContact O-CB 3.38Å; P53-L171 PolarHBondContact O-N 3.47Å; P53-L171 VanDerWaalsContact O-O 3.11Å; P53-V173 HydrophobicContact CG-CG2 4.5Å; P53-F176 HydrophobicContact CB-CE2 4.14Å; P53-F176 HydrophobicContact CG-CE2 4.13Å |
| 54 | S | 94.4 | Very high | 86 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -67.7 | -8.7 | -176.6 | 53.4 | 0 | 0 | 0 | 0 | 115 | P52 N170 L171 | P52-S54 PolarHBondContact O-N 3.05Å; P52-S54 VanDerWaalsContact O-N 3.11Å; S54-N170 WeakPolarHBondContact O-CB 3.35Å; S54-N170 PolarHBondContact O-ND2 2.87Å; S54-L171 WeakPolarHBondContact CA-O 3.34Å; S54-L171 PolarHBondContact N-O 3.5Å |
| 55 | S | 94.2 | Very high | 85.4 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -102.1 | 6.5 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | E13 P52 P53 K141 | E13-S55 PolarHBondContact N-O 3.22Å; P52-S55 WeakPolarHBondContact CG-OG 3.48Å; P52-S55 PolarHBondContact O-N 3.36Å; P52-S55 VanDerWaalsContact O-N 3.11Å; P53-S55 PolarHBondContact O-N 2.76Å; P53-S55 VanDerWaalsContact O-N 3.11Å; S55-K141 WeakPolarHBondContact CB-O 3.35Å; S55-K141 WeakPolarHBondContact OG-CB 3.14Å; S55-K141 PolarHBondContact OG-O 3.29Å |
| 56 | L | 95.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145 | -174.4 | -52 | 175.6 | 0 | 0 | 0 | 110.2 | V10 E11 V12 I24 L33 V35 L51 P53 N170 L171 | V10-L56 HydrophobicContact CG2-CD2 4.36Å; E11-L56 CarbonylContact O-C 3.55Å; E11-L56 WeakPolarHBondContact O-CA 3.4Å; V12-L56 HydrophobicContact CB-CD2 4.26Å; V12-L56 HydrophobicContact CG1-CD2 4.17Å; V12-L56 HydrophobicContact CG2-CD2 3.81Å; I24-L56 HydrophobicContact CD1-CD1 4.23Å; I24-L56 HydrophobicContact CG1-CD1 4.26Å; L33-L56 HydrophobicContact CD1-CD1 3.89Å; V35-L56 HydrophobicContact CG1-CD2 4.18Å; V35-L56 HydrophobicContact CG2-CD1 3.82Å; V35-L56 HydrophobicContact CG2-CD2 4.07Å; L51-L56 HydrophobicContact CD1-CD2 4.24Å; P53-L56 PolarHBondContact O-N 3.29Å; P53-L56 VanDerWaalsContact O-O 3.12Å; L56-N170 CarbonylContact O-C 3.56Å; L56-N170 WeakPolarHBondContact O-CA 3.48Å; L56-N170 WeakPolarHBondContact O-CB 3.33Å; L56-L171 HydrophobicContact CB-CD1 4.14Å; L56-L171 PolarHBondContact O-N 3.23Å |
| 57 | R | 94.5 | Very high | 84.6 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 164.8 | 163.8 | 69.3 | 180 | -173 | -177.6 | -0.1 | 110.6 | V10 E11 F19 D76 V166 | V10-R57 CarbonylContact C-O 3.58Å; V10-R57 WeakPolarHBondContact CA-O 3.47Å; E11-R57 HydrophobicContact CB-CG 3.86Å; E11-R57 PolarHBondContact N-O 2.84Å; E11-R57 PolarHBondContact O-N 3.4Å; E11-R57 IonicContact OE2-CZ 3.24Å; E11-R57 VanDerWaalsContact OE2-CZ 3.22Å; E11-R57 IonicContact OE2-NE 2.67Å; E11-R57 PolarHBondContact OE2-NE 3.02Å; E11-R57 IonicContact OE2-NH2 3.57Å; E11-R57 PolarHBondContact OE2-NH2 3.42Å; F19-R57 HydrophobicContact CD1-CG 3.91Å; F19-R57 VanDerWaalsContact CD1-NE 3.34Å; F19-R57 VanDerWaalsContact CD2-CZ 3.46Å; F19-R57 VanDerWaalsContact CE1-CD 3.47Å; F19-R57 HydrophobicContact CE1-CG 3.79Å; R57-D76 IonicContact CZ-OD2 3.07Å; R57-D76 IonicContact NH2-OD2 3.16Å; R57-D76 PolarHBondContact NH2-OD2 2.95Å; R57-V166 PolarHBondContact NH1-O 3.24Å |
| 58 | L | 93.8 | Very high | 84.6 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 29% | 0.293 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 142.8 | 166.8 | -71.6 | 172.7 | 0 | 0 | 0 | 109.8 | I8 H168 L171 T242 | I8-L58 HydrophobicContact CG2-CD2 4.4Å; L58-H168 PolarHBondContact O-CD2 2.8Å; L58-L171 HydrophobicContact CG-CD2 4.23Å; L58-T242 HydrophobicContact CD1-CG2 4.45Å; L58-T242 HydrophobicContact CD2-CG2 4.3Å |
| 59 | P | 90.7 | Very high | 84.2 | Confident | 42 Ų | 42 | 53 Ų | 53 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 154.2 | 170.8 | 28.9 | -35.4 | 0 | 0 | 0 | 110.9 | P9 E11 | P9-P59 HydrophobicContact CB-CG 4.45Å; P9-P59 WeakPolarHBondContact O-CD 3.36Å; E11-P59 HydrophobicContact CG-CB 4.18Å |
| 60 | P | 87.7 | Confident | 84.2 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 139.5 | 171 | -24.8 | 35 | 0 | 0 | 0 | 111.7 | E11 D62 V166 | E11-P60 WeakPolarHBondContact OE1-CD 3.41Å; P60-D62 PolarHBondContact O-N 2.94Å; P60-V166 HydrophobicContact CB-CG2 4.24Å; P60-V166 HydrophobicContact CG-CB 4.39Å; P60-V166 HydrophobicContact CG-CG2 4.17Å |
| 61 | K | 79.2 | Confident | 84.1 | Confident | 187 Ų | 187 | 61.4 Ų | 61.4 | 81% | 0.813 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.1 | -35.4 | -176.9 | -67.8 | -175.5 | 177.5 | -177.5 | 0 | 113.7 | P63 | K61-P63 VanDerWaalsContact O-CD 3.24Å; K61-P63 WeakPolarHBondContact O-CD 3.49Å |
| 62 | D | 69.2 | Low | 84 | Confident | 118 Ų | 118 | 63.8 Ų | 63.8 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | trans | -121.1 | 62.3 | -172.1 | -57.2 | -75.8 | 0 | 0 | 0 | 111.2 | P60 G64 T65 | P60-D62 PolarHBondContact O-N 2.94Å; D62-G64 PolarHBondContact O-N 3.04Å; D62-G64 VanDerWaalsContact O-N 3.14Å; D62-T65 WeakPolarHBondContact CB-OG1 3.46Å; D62-T65 PolarHBondContact O-N 3.12Å; D62-T65 VanDerWaalsContact O-N 3.16Å; D62-T65 PolarHBondContact O-OG1 3.45Å; D62-T65 VanDerWaalsContact O-OG1 3.1Å | ||
| 63 | P | 62.4 | Low | 83.9 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.3 | -173 | 29.8 | -36.6 | 0 | 0 | 0 | 113.3 | K61 | K61-P63 VanDerWaalsContact O-CD 3.24Å; K61-P63 WeakPolarHBondContact O-CD 3.49Å |
| 64 | G | 59.9 | Low | 83.8 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 72% | 0.722 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 11.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D62 V66 | D62-G64 PolarHBondContact O-N 3.04Å; D62-G64 VanDerWaalsContact O-N 3.14Å; G64-V66 PolarHBondContact O-N 3.28Å |
| 65 | T | 65.5 | Low | 83.7 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -64.5 | 117.1 | 171.1 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | D62 L67 | D62-T65 WeakPolarHBondContact CB-OG1 3.46Å; D62-T65 PolarHBondContact O-N 3.12Å; D62-T65 VanDerWaalsContact O-N 3.16Å; D62-T65 PolarHBondContact O-OG1 3.45Å; D62-T65 VanDerWaalsContact O-OG1 3.1Å; T65-L67 PolarHBondContact O-N 2.8Å |
| 66 | V | 67.5 | Low | 83.6 | Confident | 137 Ų | 137 | 66.1 Ų | 66.1 | 83% | 0.83 | 38% | 0.38 | S | S | * | . | trans | -61.2 | 101.9 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | G64 E68 | G64-V66 PolarHBondContact O-N 3.28Å; V66-E68 PolarHBondContact O-N 3.07Å | ||
| 67 | L | 77.8 | Confident | 83.5 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | trans | -76.7 | 118.1 | 173.6 | 176.7 | 63.9 | 0 | 0 | 0 | 108.9 | T65 P69 L73 V75 L162 P164 | T65-L67 PolarHBondContact O-N 2.8Å; L67-P69 VanDerWaalsContact O-CD 3.3Å; L67-P69 WeakPolarHBondContact O-CD 3.45Å; L67-L73 HydrophobicContact CD1-CD2 3.9Å; L67-V75 HydrophobicContact CD2-CG1 3.65Å; L67-L162 HydrophobicContact CD2-CB 4.18Å; L67-P164 HydrophobicContact CD1-CG 4.39Å | ||
| 68 | E | 84.9 | Confident | 83.3 | Confident | 119 Ų | 119 | 68 Ų | 68 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | trans | -85.5 | 108.8 | 161 | -170.3 | 56.9 | -150.2 | 0 | 0 | 107.8 | V66 K159 | V66-E68 PolarHBondContact O-N 3.07Å; E68-K159 IonicContact OE1-NZ 3.18Å; E68-K159 PolarHBondContact OE1-NZ 3.03Å; E68-K159 IonicContact OE2-NZ 3.46Å; E68-K159 PolarHBondContact OE2-NZ 2.85Å | ||
| 69 | P | 82.5 | Confident | 83 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.032 | 38% | 0.38 | C | S | . | . | trans | -68.6 | 147.1 | -175 | 29.6 | -36.4 | 0 | 0 | 0 | 110.8 | L67 V109 I112 V117 K159 L162 | L67-P69 VanDerWaalsContact O-CD 3.3Å; L67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-V109 HydrophobicContact CB-CG1 4.37Å; P69-V109 HydrophobicContact CB-CG2 4.13Å; P69-I112 HydrophobicContact CB-CD1 4.25Å; P69-I112 HydrophobicContact CB-CG1 4.28Å; P69-I112 HydrophobicContact CG-CD1 4.23Å; P69-I112 HydrophobicContact CG-CG1 4.07Å; P69-I112 HydrophobicContact CG-CG2 4.45Å; P69-I112 WeakPolarHBondContact O-CD1 3.36Å; P69-V117 HydrophobicContact CB-CG1 4.37Å; P69-V117 HydrophobicContact CB-CG2 4.42Å; P69-V117 HydrophobicContact CG-CG2 3.85Å; P69-K159 HydrophobicContact CG-CG 4.31Å; P69-L162 HydrophobicContact CB-CD1 4.32Å | ||
| 70 | V | 90 | Very high | 82.4 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | trans | -125.8 | 141.7 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | G72 L73 V109 | V70-G72 PolarHBondContact O-N 3.1Å; V70-L73 HydrophobicContact CB-CB 4.43Å; V70-L73 WeakPolarHBondContact O-CB 3.19Å; V70-L73 PolarHBondContact O-N 3.19Å; V70-V109 WeakPolarHBondContact O-CB 3.47Å; V70-V109 WeakPolarHBondContact O-CG1 3.22Å | ||
| 71 | Q | 92.5 | Very high | 81.4 | Confident | 144 Ų | 144 | 66.6 Ų | 66.6 | 67% | 0.673 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 127.1 | 177.8 | -174.2 | 174 | 4.4 | 0 | 0 | 110.8 | R110 | Q71-R110 WeakPolarHBondContact CG-O 3.22Å; Q71-R110 PolarHBondContact NE2-O 3.47Å |
| 72 | G | 91.9 | Very high | 80.3 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V70 V109 | V70-G72 PolarHBondContact O-N 3.1Å; G72-V109 PolarHBondContact N-O 3.12Å |
| 73 | L | 92.7 | Very high | 79.1 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | trans | -75.5 | 136.3 | 178.4 | -174.8 | 62.7 | 0 | 0 | 0 | 112.2 | L67 V70 V75 V108 V109 | L67-L73 HydrophobicContact CD1-CD2 3.9Å; V70-L73 HydrophobicContact CB-CB 4.43Å; V70-L73 WeakPolarHBondContact O-CB 3.19Å; V70-L73 PolarHBondContact O-N 3.19Å; L73-V75 HydrophobicContact CD2-CG1 4.39Å; L73-V75 HydrophobicContact CG-CG1 4.3Å; L73-V108 WeakPolarHBondContact O-CA 3.44Å; L73-V109 PolarHBondContact O-N 3.07Å | ||
| 74 | E | 93.7 | Very high | 78 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132 | 168.2 | -70.2 | -174 | -145.1 | 0 | 0 | 111.5 | A107 V108 M122 R165 H167 | E74-A107 WeakPolarHBondContact CA-O 3.48Å; E74-V108 HydrophobicContact CG-CG2 4.33Å; E74-M122 HydrophobicContact CB-CE 4.03Å; E74-M122 HydrophobicContact CG-CE 3.72Å; E74-R165 HydrophobicContact CB-CB 3.95Å; E74-R165 HydrophobicContact CB-CG 4.28Å; E74-R165 WeakPolarHBondContact O-CB 3.39Å; E74-H167 IonicContact OE2-CE1 3.22Å; E74-H167 IonicContact OE2-NE2 3.91Å |
| 75 | V | 92.8 | Very high | 76.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.8 | -176.8 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | L67 L73 A107 V109 V119 L162 R163 | L67-V75 HydrophobicContact CD2-CG1 3.65Å; L73-V75 HydrophobicContact CD2-CG1 4.39Å; L73-V75 HydrophobicContact CG-CG1 4.3Å; V75-A107 HydrophobicContact CG2-CB 4.18Å; V75-A107 WeakPolarHBondContact CG2-O 3.3Å; V75-A107 PolarHBondContact N-O 3.47Å; V75-A107 PolarHBondContact O-N 3.23Å; V75-A107 VanDerWaalsContact O-O 3.13Å; V75-V109 HydrophobicContact CG1-CG2 3.88Å; V75-V109 HydrophobicContact CG2-CG2 4.06Å; V75-V119 HydrophobicContact CG2-CG1 4.36Å; V75-L162 HydrophobicContact CB-CD2 4.44Å; V75-L162 HydrophobicContact CG2-CD2 3.99Å; V75-R163 WeakPolarHBondContact CA-O 3.15Å |
| 76 | D | 92.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.9 | 158.2 | -89.5 | 2.5 | 0 | 0 | 0 | 107.2 | R57 W104 W105 R163 R165 | R57-D76 IonicContact CZ-OD2 3.07Å; R57-D76 IonicContact NH2-OD2 3.16Å; R57-D76 PolarHBondContact NH2-OD2 2.95Å; D76-W104 HydrophobicContact CB-CB 4.21Å; D76-W104 HydrophobicContact CB-CE3 3.92Å; D76-W105 WeakPolarHBondContact CA-O 3.39Å; D76-R163 HydrophobicContact CB-CG 3.56Å; D76-R163 PolarHBondContact N-O 2.91Å; D76-R163 PolarHBondContact O-N 3Å; D76-R163 IonicContact OD2-CZ 2.75Å; D76-R163 IonicContact OD2-NE 2.69Å; D76-R163 PolarHBondContact OD2-NE 3.42Å; D76-R163 IonicContact OD2-NH2 2.7Å; D76-R163 PolarHBondContact OD2-NH2 3.36Å; D76-R165 WeakPolarHBondContact OD1-CD 3.38Å; D76-R165 IonicContact OD1-CZ 2.76Å; D76-R165 IonicContact OD1-NE 2.68Å; D76-R165 IonicContact OD1-NH1 2.79Å; D76-R165 PolarHBondContact OD1-NH1 3.49Å; D76-R165 IonicContact OD2-NH1 2.58Å |
| 77 | V | 91.4 | Very high | 73.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.5 | 177.2 | 60 | 0 | 0 | 0 | 0 | 111 | I79 W104 W105 A107 V119 L121 V157 Q161 L162 | V77-I79 HydrophobicContact CG1-CD1 4.16Å; V77-I79 HydrophobicContact CG1-CG1 4.28Å; V77-I79 HydrophobicContact CG2-CG1 4.2Å; V77-I79 PolarHBondContact O-N 3.27Å; V77-W104 CarbonylContact O-C 3.52Å; V77-W104 WeakPolarHBondContact O-CA 3.23Å; V77-W105 HydrophobicContact CG1-CB 3.94Å; V77-W105 WeakPolarHBondContact CG1-O 3.44Å; V77-W105 PolarHBondContact N-O 2.72Å; V77-W105 PolarHBondContact O-N 3.02Å; V77-A107 HydrophobicContact CG1-CB 3.75Å; V77-V119 HydrophobicContact CG1-CG2 4.46Å; V77-L121 HydrophobicContact CG1-CD2 3.82Å; V77-V157 HydrophobicContact CG2-CB 4.06Å; V77-V157 HydrophobicContact CG2-CG1 3.69Å; V77-V157 HydrophobicContact CG2-CG2 3.84Å; V77-Q161 CarbonylContact C-O 3.57Å; V77-Q161 WeakPolarHBondContact CA-O 3.44Å; V77-L162 HydrophobicContact CB-CD2 3.78Å; V77-L162 HydrophobicContact CG2-CD2 3.83Å |
| 78 | L | 90.6 | Very high | 72.1 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 112 | 177.8 | -176.3 | 62.9 | 0 | 0 | 0 | 110.2 | A103 W104 Q161 | L78-A103 WeakPolarHBondContact CA-O 3.46Å; L78-W104 HydrophobicContact CB-CD2 4.17Å; L78-W104 HydrophobicContact CB-CE3 3.83Å; L78-W104 HydrophobicContact CB-CH2 3.82Å; L78-W104 HydrophobicContact CB-CZ2 4.12Å; L78-W104 HydrophobicContact CB-CZ3 3.66Å; L78-W104 HydrophobicContact CD1-CD2 4.17Å; L78-W104 HydrophobicContact CD1-CG 4.49Å; L78-W104 HydrophobicContact CD1-CZ2 4.26Å; L78-W104 HydrophobicContact CD2-CH2 4.37Å; L78-W104 HydrophobicContact CD2-CZ2 4.17Å; L78-W104 HydrophobicContact CG-CZ2 4.43Å; L78-Q161 PolarHBondContact N-O 3.24Å |
| 79 | I | 87.1 | Confident | 69.8 | Low | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.097 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129 | 175.7 | -54.4 | 179 | 0 | 0 | 0 | 108.9 | V77 S102 A103 W105 L121 L151 | V77-I79 HydrophobicContact CG1-CD1 4.16Å; V77-I79 HydrophobicContact CG1-CG1 4.28Å; V77-I79 HydrophobicContact CG2-CG1 4.2Å; V77-I79 PolarHBondContact O-N 3.27Å; I79-S102 CarbonylContact O-C 3.5Å; I79-S102 VanDerWaalsContact O-CA 3.27Å; I79-S102 WeakPolarHBondContact O-CA 3.4Å; I79-A103 PolarHBondContact N-O 2.97Å; I79-A103 PolarHBondContact O-N 3.09Å; I79-W105 HydrophobicContact CD1-CB 4.44Å; I79-W105 HydrophobicContact CD1-CG 4.12Å; I79-W105 HydrophobicContact CG1-CG 4.5Å; I79-L121 HydrophobicContact CD1-CD1 4.26Å; I79-L121 HydrophobicContact CD1-CD2 4.06Å; I79-L151 HydrophobicContact CD1-CD1 3.77Å; I79-L151 HydrophobicContact CG2-CD1 4.2Å |
| 80 | S | 79 | Confident | 67.8 | Low | 52 Ų | 52 | 79.2 Ų | 79.2 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 145.7 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | S82 S102 | S80-S82 PolarHBondContact O-N 3.19Å; S80-S102 WeakPolarHBondContact CA-OG 3.38Å; S80-S102 WeakPolarHBondContact CB-OG 3.24Å; S80-S102 PolarHBondContact OG-OG 3.33Å |
| 81 | S | 65.9 | Low | 65.3 | Low | 17 Ų | 17 | 83.8 Ų | 83.8 | 12% | 0.119 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -80 | 0.5 | -174.9 | -49.7 | 0 | 0 | 0 | 0 | 114.4 | A98 L101 | S81-A98 WeakPolarHBondContact CB-O 3.37Å; S81-A98 PolarHBondContact OG-O 3.11Å; S81-L101 WeakPolarHBondContact CB-O 3.38Å; S81-L101 PolarHBondContact N-O 2.96Å; S81-L101 PolarHBondContact OG-O 3.01Å |
| 82 | S | 57.5 | Low | 62.7 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | trans | -112.4 | 111 | 179.5 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | S80 G84 | S80-S82 PolarHBondContact O-N 3.19Å; S82-G84 PolarHBondContact O-N 2.85Å | ||
| 83 | P | 43.3 | Very low | 60.4 | Low | 108 Ų | 108 | 87.8 Ų | 87.8 | 70% | 0.701 | 50% | 0.503 | S | S | * | . | trans | -86.6 | 97.6 | 169.3 | 32.4 | -30.4 | 0 | 0 | 0 | 110.7 | ||||
| 84 | G | 39.9 | Very low | 58 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 156.1 | 154.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S82 | S82-G84 PolarHBondContact O-N 2.85Š|
| 85 | E | 33.9 | Very low | 56.1 | Low | 186 Ų | 186 | 88.7 Ų | 88.7 | 87% | 0.869 | 52% | 0.518 | S | S | * | . | trans | -64.8 | 151.3 | 170 | -66.2 | -175.9 | 120.9 | 0 | 0 | 111 | S87 | E85-S87 PolarHBondContact O-N 2.96Š| ||
| 86 | P | 36.2 | Very low | 54.9 | Low | 124 Ų | 124 | 91.6 Ų | 91.6 | 81% | 0.805 | 54% | 0.541 | S | S | * | . | trans | -68.6 | 96.4 | 171.2 | 29.2 | -33.7 | 0 | 0 | 0 | 109.7 | V88 | P86-V88 PolarHBondContact O-N 2.74Š| ||
| 87 | S | 33.4 | Very low | 54.1 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 76% | 0.762 | 56% | 0.561 | S | S | * | * | trans | -58 | 110.5 | 167.9 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | E85 | E85-S87 PolarHBondContact O-N 2.96Š| ||
| 88 | V | 41.8 | Very low | 53.2 | Low | 125 Ų | 125 | 96 Ų | 96 | 76% | 0.758 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -58.4 | 144.3 | 173.4 | -169.8 | 0 | 0 | 0 | 0 | 108.3 | P86 | P86-V88 PolarHBondContact O-N 2.74Š|
| 89 | D | 37 | Very low | 52.4 | Low | 138 Ų | 138 | 95.7 Ų | 95.7 | 74% | 0.738 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 68.3 | 72.1 | -180 | -52.4 | -40.1 | 0 | 0 | 0 | 116.4 | ||
| 90 | H | 40.9 | Very low | 52.2 | Low | 176 Ų | 176 | 98.7 Ų | 98.7 | 82% | 0.815 | 58% | 0.58 | S | S | * | * | -179.5 | 98.6 | 125.9 | -89.3 | -50.4 | 0 | 0 | 0 | 112.4 | Q92 | H90-Q92 PolarHBondContact O-N 3.32Š| |||
| 91 | E | 37.7 | Very low | 52.5 | Low | 188 Ų | 188 | 96.2 Ų | 96.2 | 88% | 0.879 | 56% | 0.562 | S | S | * | * | trans | -73.2 | 90.1 | 164.1 | -75.1 | -166.1 | 130.1 | 0 | 0 | 110.2 | ||||
| 92 | Q | 37.1 | Very low | 53.5 | Low | 134 Ų | 134 | 95.7 Ų | 95.7 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | trans | -79.8 | 142.1 | 165.2 | -78.3 | -167.4 | -28.5 | 0 | 0 | 110.6 | H90 S94 | H90-Q92 PolarHBondContact O-N 3.32Å; Q92-S94 PolarHBondContact O-N 3.22Å | ||
| 93 | P | 44.7 | Very low | 55.1 | Low | 145 Ų | 145 | 92.8 Ų | 92.8 | 94% | 0.942 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 0.5 | -175.5 | -22.2 | 34.3 | 0 | 0 | 0 | 116.2 | ||
| 94 | S | 41.5 | Very low | 57.5 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 20.6 | -167.1 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | Q92 A96 | Q92-S94 PolarHBondContact O-N 3.22Å; S94-A96 PolarHBondContact O-N 2.95Å |
| 95 | D | 54.8 | Low | 60 | Low | 79 Ų | 79 | 86.4 Ų | 86.4 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | trans | -55.8 | 105.9 | 163.6 | -79.6 | -23.2 | 0 | 0 | 0 | 109.8 | I97 K100 | D95-I97 PolarHBondContact O-N 2.92Å; D95-K100 WeakPolarHBondContact OD2-CE 3.46Å; D95-K100 IonicContact OD2-NZ 3.95Å; D95-K100 PolarHBondContact OD2-NZ 3.14Å | ||
| 96 | A | 67.9 | Low | 62.8 | Low | 60 Ų | 60 | 78 Ų | 78 | 50% | 0.496 | 44% | 0.441 | S | S | . | . | trans | -56.5 | 126.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S94 A98 S99 | S94-A96 PolarHBondContact O-N 2.95Å; A96-A98 PolarHBondContact O-N 2.81Å; A96-S99 PolarHBondContact O-N 3.32Å; A96-S99 PolarHBondContact O-OG 3.31Å | ||
| 97 | I | 74.3 | Confident | 65.5 | Low | 82 Ų | 82 | 72 Ų | 72 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -56 | -28.4 | -167 | -56.5 | 165.8 | 0 | 0 | 0 | 112.5 | L46 V47 D95 S99 K100 | L46-I97 HydrophobicContact CB-CG2 3.79Å; L46-I97 HydrophobicContact CD1-CG2 4.24Å; L46-I97 HydrophobicContact CD2-CG2 4.39Å; L46-I97 HydrophobicContact CG-CG2 4.37Å; V47-I97 HydrophobicContact CG2-CB 4.42Å; V47-I97 HydrophobicContact CG2-CD1 4.26Å; V47-I97 HydrophobicContact CG2-CG2 3.55Å; D95-I97 PolarHBondContact O-N 2.92Å; I97-S99 VanDerWaalsContact C-N 3.31Å; I97-S99 PolarHBondContact O-N 3.21Å; I97-K100 PolarHBondContact O-N 2.81Å |
| 98 | A | 72.3 | Confident | 68.4 | Low | 11 Ų | 11 | 68 Ų | 68 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -51.1 | -42.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S81 A96 K100 L101 V145 P146 | S81-A98 WeakPolarHBondContact CB-O 3.37Å; S81-A98 PolarHBondContact OG-O 3.11Å; A96-A98 PolarHBondContact O-N 2.81Å; A98-K100 PolarHBondContact O-N 3.46Å; A98-K100 VanDerWaalsContact O-N 3.09Å; A98-L101 WeakPolarHBondContact O-CB 3.41Å; A98-L101 PolarHBondContact O-N 3.15Å; A98-V145 HydrophobicContact CB-CG1 4.05Å; A98-P146 HydrophobicContact CB-CB 4.23Å; A98-P146 HydrophobicContact CB-CG 4.28Å |
| 99 | S | 74.8 | Confident | 70.9 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -63.1 | -20.8 | -177 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | A96 I97 | A96-S99 PolarHBondContact O-N 3.32Å; A96-S99 PolarHBondContact O-OG 3.31Å; I97-S99 VanDerWaalsContact C-N 3.31Å; I97-S99 PolarHBondContact O-N 3.21Å |
| 100 | K | 81.9 | Confident | 73.7 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -94.2 | 2.2 | -179.9 | -66.4 | 170 | 179 | 171.7 | 0 | 112.9 | D39 S40 L46 D95 I97 A98 | D39-K100 CarbonylContact C-O 3.12Å; D39-K100 VanDerWaalsContact CA-O 3.28Å; D39-K100 WeakPolarHBondContact CA-O 3.38Å; S40-K100 PolarHBondContact N-O 3.16Å; S40-K100 PolarHBondContact OG-O 3.37Å; L46-K100 HydrophobicContact CD1-CB 3.73Å; L46-K100 WeakPolarHBondContact CD1-O 3.36Å; L46-K100 HydrophobicContact CD2-CB 4.32Å; D95-K100 WeakPolarHBondContact OD2-CE 3.46Å; D95-K100 IonicContact OD2-NZ 3.95Å; D95-K100 PolarHBondContact OD2-NZ 3.14Å; I97-K100 PolarHBondContact O-N 2.81Å; A98-K100 PolarHBondContact O-N 3.46Å; A98-K100 VanDerWaalsContact O-N 3.09Å |
| 101 | L | 85.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -99.5 | 140.2 | 175.7 | -67.6 | 171.2 | 0 | 0 | 0 | 111.7 | Y20 L37 L38 L46 S81 A98 V135 V145 | Y20-L101 HydrophobicContact CD1-CB 4.13Å; Y20-L101 HydrophobicContact CD1-CD1 4.39Å; Y20-L101 HydrophobicContact CD1-CD2 4.46Å; Y20-L101 HydrophobicContact CE1-CB 4.03Å; Y20-L101 HydrophobicContact CE1-CD1 4.39Å; L37-L101 HydrophobicContact CB-CD2 4Å; L37-L101 HydrophobicContact CD1-CD1 4.07Å; L37-L101 HydrophobicContact CD1-CD2 4.05Å; L38-L101 WeakPolarHBondContact O-CD2 3.24Å; L46-L101 HydrophobicContact CD1-CD2 3.72Å; L46-L101 HydrophobicContact CD1-CG 4.04Å; S81-L101 WeakPolarHBondContact CB-O 3.38Å; S81-L101 PolarHBondContact N-O 2.96Å; S81-L101 PolarHBondContact OG-O 3.01Å; A98-L101 WeakPolarHBondContact O-CB 3.41Å; A98-L101 PolarHBondContact O-N 3.15Å; L101-V135 HydrophobicContact CD1-CG2 4.07Å; L101-V145 HydrophobicContact CD1-CG1 3.85Å; L101-V145 HydrophobicContact CD1-CG2 3.94Å | ||
| 102 | S | 87.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.7 | 165.6 | -50.6 | 0 | 0 | 0 | 0 | 109.6 | P21 S40 I79 S80 | P21-S102 WeakPolarHBondContact CD-O 3.29Å; S40-S102 VanDerWaalsContact CB-OG 3.29Å; S40-S102 WeakPolarHBondContact CB-OG 3.31Å; S40-S102 PolarHBondContact OG-OG 2.86Å; I79-S102 CarbonylContact O-C 3.5Å; I79-S102 VanDerWaalsContact O-CA 3.27Å; I79-S102 WeakPolarHBondContact O-CA 3.4Å; S80-S102 WeakPolarHBondContact CA-OG 3.38Å; S80-S102 WeakPolarHBondContact CB-OG 3.24Å; S80-S102 PolarHBondContact OG-OG 3.33Å |
| 103 | A | 90.9 | Very high | 81.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E18 F19 Y20 L78 I79 W105 | E18-A103 HydrophobicContact CB-CB 4.16Å; E18-A103 HydrophobicContact CG-CB 4.07Å; F19-A103 WeakPolarHBondContact O-CA 3.39Å; Y20-A103 HydrophobicContact CD1-CB 3.8Å; Y20-A103 HydrophobicContact CD2-CB 4.25Å; Y20-A103 HydrophobicContact CE1-CB 3.58Å; Y20-A103 HydrophobicContact CE2-CB 4.06Å; Y20-A103 HydrophobicContact CG-CB 4.11Å; L78-A103 WeakPolarHBondContact CA-O 3.46Å; I79-A103 PolarHBondContact N-O 2.97Å; I79-A103 PolarHBondContact O-N 3.09Å; A103-W105 VanDerWaalsContact O-CD1 3.28Å |
| 104 | W | 92.4 | Very high | 83.1 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 11% | 0.114 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 105.3 | 170.2 | -66.5 | 98.2 | 0 | 0 | 0 | 109.7 | E18 F19 D76 V77 L78 Q161 R163 | E18-W104 CarbonylContact C-O 3.6Å; E18-W104 WeakPolarHBondContact CA-O 3.33Å; F19-W104 HydrophobicContact CB-CB 4.28Å; F19-W104 PolarHBondContact N-O 3.45Å; F19-W104 PolarHBondContact O-N 3.41Å; D76-W104 HydrophobicContact CB-CB 4.21Å; D76-W104 HydrophobicContact CB-CE3 3.92Å; V77-W104 CarbonylContact O-C 3.52Å; V77-W104 WeakPolarHBondContact O-CA 3.23Å; L78-W104 HydrophobicContact CB-CD2 4.17Å; L78-W104 HydrophobicContact CB-CE3 3.83Å; L78-W104 HydrophobicContact CB-CH2 3.82Å; L78-W104 HydrophobicContact CB-CZ2 4.12Å; L78-W104 HydrophobicContact CB-CZ3 3.66Å; L78-W104 HydrophobicContact CD1-CD2 4.17Å; L78-W104 HydrophobicContact CD1-CG 4.49Å; L78-W104 HydrophobicContact CD1-CZ2 4.26Å; L78-W104 HydrophobicContact CD2-CH2 4.37Å; L78-W104 HydrophobicContact CD2-CZ2 4.17Å; L78-W104 HydrophobicContact CG-CZ2 4.43Å; W104-Q161 WeakPolarHBondContact CZ3-O 3.4Å; W104-R163 VanDerWaalsContact CD2-CZ 3.47Å; W104-R163 HydrophobicContact CE3-CG 3.79Å; W104-R163 VanDerWaalsContact CG-CZ 3.43Å; W104-R163 HydrophobicContact CH2-CB 4.32Å; W104-R163 HydrophobicContact CH2-CG 4.13Å; W104-R163 HydrophobicContact CZ3-CB 4.02Å; W104-R163 HydrophobicContact CZ3-CG 3.56Å |
| 105 | W | 92.5 | Very high | 85.3 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 138.3 | 178.9 | -64.6 | 78.5 | 0 | 0 | 0 | 110.6 | Y16 E18 D76 V77 I79 A103 A107 L121 A123 F125 L151 | Y16-W105 AromaticContact CD2-CH2 3.86Å; Y16-W105 HydrophobicContact CD2-CH2 3.86Å; Y16-W105 AromaticContact CD2-CZ3 3.97Å; Y16-W105 HydrophobicContact CD2-CZ3 3.97Å; Y16-W105 HydrophobicContact CE2-CH2 4.45Å; Y16-W105 HydrophobicContact CG-CZ3 4.23Å; E18-W105 HydrophobicContact CB-CD2 3.58Å; E18-W105 HydrophobicContact CB-CE3 3.72Å; E18-W105 HydrophobicContact CB-CG 4.07Å; E18-W105 HydrophobicContact CB-CH2 4.1Å; E18-W105 HydrophobicContact CB-CZ2 4Å; E18-W105 HydrophobicContact CB-CZ3 3.98Å; E18-W105 HydrophobicContact CG-CD2 4.4Å; E18-W105 HydrophobicContact CG-CE3 4.5Å; E18-W105 HydrophobicContact CG-CH2 3.98Å; E18-W105 HydrophobicContact CG-CZ2 3.89Å; E18-W105 HydrophobicContact CG-CZ3 4.3Å; D76-W105 WeakPolarHBondContact CA-O 3.39Å; V77-W105 HydrophobicContact CG1-CB 3.94Å; V77-W105 WeakPolarHBondContact CG1-O 3.44Å; V77-W105 PolarHBondContact N-O 2.72Å; V77-W105 PolarHBondContact O-N 3.02Å; I79-W105 HydrophobicContact CD1-CB 4.44Å; I79-W105 HydrophobicContact CD1-CG 4.12Å; I79-W105 HydrophobicContact CG1-CG 4.5Å; A103-W105 VanDerWaalsContact O-CD1 3.28Å; W105-A107 PolarHBondContact O-N 2.9Å; W105-L121 HydrophobicContact CB-CD2 4.12Å; W105-A123 HydrophobicContact CE3-CB 4.21Å; W105-A123 HydrophobicContact CZ3-CB 4.17Å; W105-F125 HydrophobicContact CH2-CE1 4.35Å; W105-F125 AromaticContact CZ3-CE1 3.87Å; W105-F125 HydrophobicContact CZ3-CE1 3.87Å; W105-F125 HydrophobicContact CZ3-CZ 4.06Å; W105-L151 HydrophobicContact CE3-CD2 4.4Å; W105-L151 HydrophobicContact CH2-CD2 3.51Å; W105-L151 HydrophobicContact CZ2-CD2 3.7Å; W105-L151 HydrophobicContact CZ3-CD2 3.88Å |
| 106 | P | 93.1 | Very high | 87 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.3 | 172.1 | -9.3 | 24.7 | 0 | 0 | 0 | 110.1 | G17 M122 | G17-P106 WeakPolarHBondContact O-CD 3.47Å; G17-P106 WeakPolarHBondContact O-CG 3.28Å; P106-M122 HydrophobicContact CB-CB 4.25Å; P106-M122 HydrophobicContact CB-CE 3.97Å; P106-M122 HydrophobicContact CB-CG 4.37Å; P106-M122 HydrophobicContact CB-SD 4.33Å; P106-M122 PolarHBondContact O-N 2.91Å |
| 107 | A | 93.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 163.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E74 V75 V77 W105 V119 E120 L121 M122 | E74-A107 WeakPolarHBondContact CA-O 3.48Å; V75-A107 HydrophobicContact CG2-CB 4.18Å; V75-A107 WeakPolarHBondContact CG2-O 3.3Å; V75-A107 PolarHBondContact N-O 3.47Å; V75-A107 PolarHBondContact O-N 3.23Å; V75-A107 VanDerWaalsContact O-O 3.13Å; V77-A107 HydrophobicContact CG1-CB 3.75Å; W105-A107 PolarHBondContact O-N 2.9Å; A107-V119 HydrophobicContact CB-CB 4.03Å; A107-V119 HydrophobicContact CB-CG2 4.37Å; A107-E120 CarbonylContact C-O 3.43Å; A107-E120 VanDerWaalsContact CA-O 3.23Å; A107-E120 WeakPolarHBondContact CA-O 3.38Å; A107-E120 WeakPolarHBondContact CB-O 3.37Å; A107-L121 HydrophobicContact CB-CD2 3.89Å; A107-M122 WeakPolarHBondContact O-CE 3.32Å |
| 108 | V | 94.7 | Very high | 89.1 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.8 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | L73 E74 R110 V119 E120 M122 | L73-V108 WeakPolarHBondContact O-CA 3.44Å; E74-V108 HydrophobicContact CG-CG2 4.33Å; V108-R110 PolarHBondContact O-N 3.23Å; V108-V119 CarbonylContact O-C 3.49Å; V108-V119 WeakPolarHBondContact O-CA 3.26Å; V108-E120 PolarHBondContact N-O 3.31Å; V108-E120 PolarHBondContact O-N 2.89Å; V108-M122 HydrophobicContact CG2-CE 4.07Å; V108-M122 HydrophobicContact CG2-CG 4.09Å; V108-M122 HydrophobicContact CG2-SD 4.27Å |
| 109 | V | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 116.3 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | P69 V70 G72 L73 V75 I112 V117 V119 | P69-V109 HydrophobicContact CB-CG1 4.37Å; P69-V109 HydrophobicContact CB-CG2 4.13Å; V70-V109 WeakPolarHBondContact O-CB 3.47Å; V70-V109 WeakPolarHBondContact O-CG1 3.22Å; G72-V109 PolarHBondContact N-O 3.12Å; L73-V109 PolarHBondContact O-N 3.07Å; V75-V109 HydrophobicContact CG1-CG2 3.88Å; V75-V109 HydrophobicContact CG2-CG2 4.06Å; V109-I112 HydrophobicContact CG1-CD1 4.09Å; V109-I112 HydrophobicContact CG1-CG1 3.87Å; V109-V117 HydrophobicContact CB-CG1 4.39Å; V109-V117 HydrophobicContact CG1-CG1 3.65Å; V109-V117 HydrophobicContact CG2-CG1 4.07Å; V109-V119 HydrophobicContact CG2-CG1 4.47Å |
| 110 | R | 95 | Very high | 91 | Very high | 113 Ų | 113 | 41.2 Ų | 41.2 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -35.1 | 179.6 | -68.5 | -51.9 | -161.2 | -161.9 | 2.8 | 113.9 | Q71 V108 I118 E120 | Q71-R110 WeakPolarHBondContact CG-O 3.22Å; Q71-R110 PolarHBondContact NE2-O 3.47Å; V108-R110 PolarHBondContact O-N 3.23Å; R110-I118 PolarHBondContact N-O 2.95Å; R110-E120 HydrophobicContact CG-CB 3.71Å; R110-E120 IonicContact CZ-OE2 2.74Å; R110-E120 IonicContact NE-OE2 3.78Å; R110-E120 PolarHBondContact NE-OE2 3.13Å; R110-E120 IonicContact NH2-OE1 3.9Å; R110-E120 IonicContact NH2-OE2 3.61Å; R110-E120 PolarHBondContact NH2-OE2 3.39Å |
| 111 | K | 92.5 | Very high | 91.5 | Very high | 133 Ų | 133 | 37.3 Ų | 37.3 | 58% | 0.578 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 151.9 | 178 | -167.6 | 176.4 | 179.5 | -177.1 | 0 | 110.5 | I118 | K111-I118 HydrophobicContact CB-CB 4.12Å; K111-I118 HydrophobicContact CB-CD1 4.13Å; K111-I118 HydrophobicContact CB-CG1 4.2Å; K111-I118 HydrophobicContact CD-CD1 4.23Å; K111-I118 PolarHBondContact N-O 2.83Å; K111-I118 PolarHBondContact O-N 3.03Å |
| 112 | I | 91.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139 | 176.8 | -59.3 | 144.1 | 0 | 0 | 0 | 108.2 | P69 V109 V117 | P69-I112 HydrophobicContact CB-CD1 4.25Å; P69-I112 HydrophobicContact CB-CG1 4.28Å; P69-I112 HydrophobicContact CG-CD1 4.23Å; P69-I112 HydrophobicContact CG-CG1 4.07Å; P69-I112 HydrophobicContact CG-CG2 4.45Å; P69-I112 WeakPolarHBondContact O-CD1 3.36Å; V109-I112 HydrophobicContact CG1-CD1 4.09Å; V109-I112 HydrophobicContact CG1-CG1 3.87Å; I112-V117 HydrophobicContact CG1-CG1 4.21Å |
| 113 | G | 88.2 | Confident | 91.5 | Very high | 47 Ų | 47 | 41 Ų | 41 | 49% | 0.485 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 83.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S115 F116 | G113-S115 PolarHBondContact O-N 3.22Å; G113-F116 CarbonylContact C-O 3.46Å; G113-F116 PolarHBondContact N-O 3.47Å; G113-F116 PolarHBondContact O-N 2.83Å; G113-F116 VanDerWaalsContact O-N 3.17Å |
| 114 | G | 86.3 | Confident | 90.8 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -116.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 115 | S | 87.3 | Confident | 89.9 | Confident | 77 Ų | 77 | 47.6 Ų | 47.6 | 54% | 0.538 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -18.5 | 176.7 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | G113 K159 | G113-S115 PolarHBondContact O-N 3.22Å; S115-K159 PolarHBondContact O-N 3.22Å; S115-K159 VanDerWaalsContact O-N 3.13Å |
| 116 | F | 91.1 | Very high | 88.3 | Confident | 107 Ų | 107 | 52 Ų | 52 | 47% | 0.469 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 150.2 | -174.9 | -60 | -75.1 | 0 | 0 | 0 | 112.2 | G113 I156 V157 E158 | G113-F116 CarbonylContact C-O 3.46Å; G113-F116 PolarHBondContact N-O 3.47Å; G113-F116 PolarHBondContact O-N 2.83Å; G113-F116 VanDerWaalsContact O-N 3.17Å; F116-I156 HydrophobicContact CB-CG2 4.07Å; F116-I156 HydrophobicContact CD1-CG2 4.39Å; F116-I156 HydrophobicContact CG-CG2 4.46Å; F116-V157 CarbonylContact C-O 3.54Å; F116-V157 WeakPolarHBondContact CA-O 3.27Å; F116-E158 HydrophobicContact CD1-CG 3.88Å; F116-E158 HydrophobicContact CE1-CG 3.67Å |
| 117 | V | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122.8 | -178 | -170 | 0 | 0 | 0 | 0 | 108 | P69 V109 I112 V119 V157 K159 L162 | P69-V117 HydrophobicContact CB-CG1 4.37Å; P69-V117 HydrophobicContact CB-CG2 4.42Å; P69-V117 HydrophobicContact CG-CG2 3.85Å; V109-V117 HydrophobicContact CB-CG1 4.39Å; V109-V117 HydrophobicContact CG1-CG1 3.65Å; V109-V117 HydrophobicContact CG2-CG1 4.07Å; I112-V117 HydrophobicContact CG1-CG1 4.21Å; V117-V119 HydrophobicContact CG1-CG1 4.07Å; V117-V157 HydrophobicContact CB-CG2 4.44Å; V117-V157 PolarHBondContact N-O 3.01Å; V117-V157 WeakPolarHBondContact O-CG2 3.43Å; V117-V157 PolarHBondContact O-N 3.16Å; V117-K159 HydrophobicContact CG2-CG 3.92Å; V117-L162 HydrophobicContact CB-CD1 3.93Å; V117-L162 HydrophobicContact CG1-CD1 3.9Å; V117-L162 HydrophobicContact CG2-CD1 3.8Å |
| 118 | I | 93.2 | Very high | 84.5 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121 | 171.1 | -49.8 | -173.7 | 0 | 0 | 0 | 107.2 | R110 K111 D155 I156 | R110-I118 PolarHBondContact N-O 2.95Å; K111-I118 HydrophobicContact CB-CB 4.12Å; K111-I118 HydrophobicContact CB-CD1 4.13Å; K111-I118 HydrophobicContact CB-CG1 4.2Å; K111-I118 HydrophobicContact CD-CD1 4.23Å; K111-I118 PolarHBondContact N-O 2.83Å; K111-I118 PolarHBondContact O-N 3.03Å; I118-D155 WeakPolarHBondContact CA-O 3.07Å; I118-I156 HydrophobicContact CG1-CG1 4.33Å |
| 119 | V | 93.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.4 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | V75 V77 A107 V108 V109 V117 T154 D155 V157 L162 | V75-V119 HydrophobicContact CG2-CG1 4.36Å; V77-V119 HydrophobicContact CG1-CG2 4.46Å; A107-V119 HydrophobicContact CB-CB 4.03Å; A107-V119 HydrophobicContact CB-CG2 4.37Å; V108-V119 CarbonylContact O-C 3.49Å; V108-V119 WeakPolarHBondContact O-CA 3.26Å; V109-V119 HydrophobicContact CG2-CG1 4.47Å; V117-V119 HydrophobicContact CG1-CG1 4.07Å; V119-T154 CarbonylContact O-C 3.6Å; V119-T154 VanDerWaalsContact O-CA 3.24Å; V119-T154 WeakPolarHBondContact O-CA 3.31Å; V119-D155 HydrophobicContact CG2-CB 4.34Å; V119-D155 PolarHBondContact N-O 3.03Å; V119-D155 PolarHBondContact O-N 3.44Å; V119-V157 HydrophobicContact CG1-CG2 3.93Å; V119-V157 HydrophobicContact CG2-CG1 4.45Å; V119-V157 HydrophobicContact CG2-CG2 3.96Å; V119-L162 HydrophobicContact CG1-CD2 4.13Å |
| 120 | E | 93.7 | Very high | 80.4 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.7 | 166.9 | -172.8 | -178.8 | 153 | 0 | 0 | 109.1 | A107 V108 R110 K153 T154 | A107-E120 CarbonylContact C-O 3.43Å; A107-E120 VanDerWaalsContact CA-O 3.23Å; A107-E120 WeakPolarHBondContact CA-O 3.38Å; A107-E120 WeakPolarHBondContact CB-O 3.37Å; V108-E120 PolarHBondContact N-O 3.31Å; V108-E120 PolarHBondContact O-N 2.89Å; R110-E120 HydrophobicContact CG-CB 3.71Å; R110-E120 IonicContact CZ-OE2 2.74Å; R110-E120 IonicContact NE-OE2 3.78Å; R110-E120 PolarHBondContact NE-OE2 3.13Å; R110-E120 IonicContact NH2-OE1 3.9Å; R110-E120 IonicContact NH2-OE2 3.61Å; R110-E120 PolarHBondContact NH2-OE2 3.39Å; E120-K153 CarbonylContact C-O 3.6Å; E120-K153 VanDerWaalsContact CA-O 3.3Å; E120-K153 WeakPolarHBondContact CA-O 3.19Å; E120-K153 HydrophobicContact CG-CD 4.23Å; E120-K153 HydrophobicContact CG-CG 4.36Å; E120-K153 WeakPolarHBondContact CG-O 3.38Å; E120-K153 WeakPolarHBondContact OE1-CE 3.45Å; E120-K153 IonicContact OE1-NZ 2.88Å; E120-K153 PolarHBondContact OE1-NZ 3.36Å; E120-T154 HydrophobicContact CB-CG2 3.98Å; E120-T154 HydrophobicContact CG-CG2 3.9Å |
| 121 | L | 92.1 | Very high | 78.5 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.1 | 177.9 | -54.7 | -174.9 | 0 | 0 | 0 | 110.1 | V77 I79 W105 A107 A123 F125 L151 K153 | V77-L121 HydrophobicContact CG1-CD2 3.82Å; I79-L121 HydrophobicContact CD1-CD1 4.26Å; I79-L121 HydrophobicContact CD1-CD2 4.06Å; W105-L121 HydrophobicContact CB-CD2 4.12Å; A107-L121 HydrophobicContact CB-CD2 3.89Å; L121-A123 VanDerWaalsContact C-N 3.26Å; L121-F125 HydrophobicContact CD1-CE2 4.27Å; L121-F125 HydrophobicContact CD1-CZ 3.99Å; L121-L151 HydrophobicContact CD1-CD1 3.7Å; L121-L151 HydrophobicContact CD1-CG 4.08Å; L121-K153 PolarHBondContact N-O 2.58Å; L121-K153 WeakPolarHBondContact O-CE 3.43Å |
| 122 | M | 89.6 | Confident | 76.9 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 39% | 0.394 | 42% | 0.415 | S | S | . | . | trans | -82.9 | -3.7 | 174.6 | -53.6 | -170.4 | -131.2 | 0 | 0 | 113 | E74 P106 A107 V108 | E74-M122 HydrophobicContact CB-CE 4.03Å; E74-M122 HydrophobicContact CG-CE 3.72Å; P106-M122 HydrophobicContact CB-CB 4.25Å; P106-M122 HydrophobicContact CB-CE 3.97Å; P106-M122 HydrophobicContact CB-CG 4.37Å; P106-M122 HydrophobicContact CB-SD 4.33Å; P106-M122 PolarHBondContact O-N 2.91Å; A107-M122 WeakPolarHBondContact O-CE 3.32Å; V108-M122 HydrophobicContact CG2-CE 4.07Å; V108-M122 HydrophobicContact CG2-CG 4.09Å; V108-M122 HydrophobicContact CG2-SD 4.27Å | ||
| 123 | A | 84.8 | Confident | 75.7 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.033 | 44% | 0.436 | C | S | . | . | trans | -64.7 | 140.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W105 L121 F125 | W105-A123 HydrophobicContact CE3-CB 4.21Å; W105-A123 HydrophobicContact CZ3-CB 4.17Å; L121-A123 VanDerWaalsContact C-N 3.26Å; A123-F125 HydrophobicContact CB-CD2 4.49Å; A123-F125 HydrophobicContact CB-CE1 3.93Å; A123-F125 HydrophobicContact CB-CE2 3.85Å; A123-F125 HydrophobicContact CB-CZ 3.54Å | ||
| 124 | D | 76 | Confident | 75.1 | Confident | 117 Ų | 117 | 74.1 Ų | 74.1 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | trans | -103.9 | 109 | 171.2 | -170.9 | -8.5 | 0 | 0 | 0 | 109.5 | S126 | D124-S126 WeakPolarHBondContact OD1-CB 3.09Å; D124-S126 PolarHBondContact OD1-N 3.49Å; D124-S126 PolarHBondContact OD1-OG 3.06Å; D124-S126 PolarHBondContact OD2-OG 3.05Å | ||
| 125 | F | 73.1 | Confident | 74.9 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 23% | 0.228 | 42% | 0.42 | C | S | . | . | trans | -91.6 | 6.6 | -177.1 | -57 | -73.7 | 0 | 0 | 0 | 113.2 | Y16 W105 L121 A123 S127 L151 | Y16-F125 HydrophobicContact CD1-CD1 4.03Å; Y16-F125 HydrophobicContact CD1-CE1 4.37Å; Y16-F125 AromaticContact CE1-CD1 3.8Å; Y16-F125 HydrophobicContact CE1-CD1 3.8Å; Y16-F125 HydrophobicContact CE1-CE1 4.44Å; Y16-F125 HydrophobicContact CG-CD1 4.48Å; Y16-F125 HydrophobicContact CG-CE1 4.39Å; W105-F125 HydrophobicContact CH2-CE1 4.35Å; W105-F125 AromaticContact CZ3-CE1 3.87Å; W105-F125 HydrophobicContact CZ3-CE1 3.87Å; W105-F125 HydrophobicContact CZ3-CZ 4.06Å; L121-F125 HydrophobicContact CD1-CE2 4.27Å; L121-F125 HydrophobicContact CD1-CZ 3.99Å; A123-F125 HydrophobicContact CB-CD2 4.49Å; A123-F125 HydrophobicContact CB-CE1 3.93Å; A123-F125 HydrophobicContact CB-CE2 3.85Å; A123-F125 HydrophobicContact CB-CZ 3.54Å; F125-S127 VanDerWaalsContact C-N 3.27Å; F125-S127 PolarHBondContact O-N 3.14Å; F125-L151 HydrophobicContact CE1-CD2 3.67Å; F125-L151 HydrophobicContact CE1-CG 4.4Å; F125-L151 HydrophobicContact CZ-CD2 3.69Å; F125-L151 HydrophobicContact CZ-CG 4.02Å | ||
| 126 | S | 59.2 | Low | 74.8 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 12.5 | -160.3 | 61.3 | 0 | 0 | 0 | 0 | 117.9 | D124 | D124-S126 WeakPolarHBondContact OD1-CB 3.09Å; D124-S126 PolarHBondContact OD1-N 3.49Å; D124-S126 PolarHBondContact OD1-OG 3.06Å; D124-S126 PolarHBondContact OD2-OG 3.05Å |
| 127 | S | 51.9 | Low | 74.7 | Confident | 109 Ų | 109 | 69 Ų | 69 | 76% | 0.762 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.9 | 41.3 | -169.1 | -173.6 | 0 | 0 | 0 | 0 | 117 | F125 | F125-S127 VanDerWaalsContact C-N 3.27Å; F125-S127 PolarHBondContact O-N 3.14Å |
| 128 | E | 55.4 | Low | 74.5 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | trans | -116.7 | 111.4 | -176.4 | -60.3 | -92.9 | 152.2 | 0 | 0 | 113.5 | K15 Y16 | K15-E128 WeakPolarHBondContact CD-OE1 3.24Å; K15-E128 WeakPolarHBondContact CE-OE1 3.31Å; K15-E128 IonicContact NZ-OE1 3.13Å; K15-E128 PolarHBondContact NZ-OE1 2.91Å; K15-E128 IonicContact NZ-OE2 3.19Å; K15-E128 PolarHBondContact NZ-OE2 3.47Å; Y16-E128 HydrophobicContact CE1-CG 4.21Å; Y16-E128 VanDerWaalsContact OH-CD 3.3Å; Y16-E128 WeakPolarHBondContact OH-CG 3.34Å | ||
| 129 | N | 49.9 | Very low | 74.2 | Confident | 157 Ų | 157 | 73.7 Ų | 73.7 | 84% | 0.84 | 44% | 0.436 | S | S | * | . | trans | -64.4 | 148.1 | 148.9 | -75.2 | -47.1 | 0 | 0 | 0 | 108.3 | G131 | N129-G131 PolarHBondContact O-N 3.24Š| ||
| 130 | A | 52.1 | Low | 73.9 | Confident | 109 Ų | 109 | 78.2 Ų | 78.2 | 90% | 0.901 | 46% | 0.46 | S | S | * | . | trans | -51.4 | 109.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 131 | G | 56.4 | Low | 73.6 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | trans | -67.4 | 166.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | N129 | N129-G131 PolarHBondContact O-N 3.24Š| ||
| 132 | P | 58.9 | Low | 73.5 | Confident | 73 Ų | 73 | 84.4 Ų | 84.4 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | trans | -60.7 | 146.4 | 173.4 | 27.5 | -34.1 | 0 | 0 | 0 | 110.6 | E134 I136 | P132-E134 PolarHBondContact O-N 2.85Å; P132-I136 HydrophobicContact CG-CD1 3.89Å; P132-I136 HydrophobicContact CG-CG1 4.43Å; P132-I136 HydrophobicContact CG-CG2 3.98Å | ||
| 133 | N | 65.1 | Low | 73.5 | Confident | 142 Ų | 142 | 80.6 Ų | 80.6 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -71.5 | 21.7 | 178.9 | -68 | -17 | 0 | 0 | 0 | 113.8 | ||
| 134 | E | 74.8 | Confident | 73.7 | Confident | 144 Ų | 144 | 81.1 Ų | 81.1 | 67% | 0.673 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -128.8 | 152.8 | -174.5 | -64.5 | -175.8 | 170.7 | 0 | 0 | 110 | P132 I136 | P132-E134 PolarHBondContact O-N 2.85Å; E134-I136 PolarHBondContact O-N 3.23Å |
| 135 | V | 82.5 | Confident | 74 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 14% | 0.139 | 44% | 0.441 | C | S | . | . | trans | -78.8 | 113.5 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | F49 L101 I143 S144 V145 | F49-V135 HydrophobicContact CE1-CG1 4.31Å; F49-V135 HydrophobicContact CE2-CG1 4.17Å; F49-V135 HydrophobicContact CZ-CB 3.99Å; F49-V135 HydrophobicContact CZ-CG1 3.48Å; F49-V135 VanDerWaalsContact CZ-CG1 3.48Å; L101-V135 HydrophobicContact CD1-CG2 4.07Å; V135-I143 HydrophobicContact CG1-CB 4.49Å; V135-S144 WeakPolarHBondContact CA-O 3.32Å; V135-V145 HydrophobicContact CB-CG2 4.4Å; V135-V145 HydrophobicContact CG1-CG2 3.6Å; V135-V145 HydrophobicContact CG2-CB 4.39Å; V135-V145 HydrophobicContact CG2-CG1 4.22Å; V135-V145 HydrophobicContact CG2-CG2 3.96Å | ||
| 136 | I | 86.6 | Confident | 74.2 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 31% | 0.308 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.5 | -177 | 62.8 | 168 | 0 | 0 | 0 | 112.4 | P132 E134 L138 I143 S144 | P132-I136 HydrophobicContact CG-CD1 3.89Å; P132-I136 HydrophobicContact CG-CG1 4.43Å; P132-I136 HydrophobicContact CG-CG2 3.98Å; E134-I136 PolarHBondContact O-N 3.23Å; I136-L138 HydrophobicContact CD1-CD2 4.02Å; I136-L138 HydrophobicContact CG1-CD2 4.36Å; I136-I143 CarbonylContact O-C 3.55Å; I136-I143 WeakPolarHBondContact O-CA 3.41Å; I136-S144 PolarHBondContact N-O 3.28Å; I136-S144 VanDerWaalsContact N-O 3.08Å; I136-S144 PolarHBondContact O-N 2.87Å |
| 137 | V | 88.3 | Confident | 74.8 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 33% | 0.333 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.7 | 167.7 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | F49 L51 K141 I143 | F49-V137 HydrophobicContact CB-CG2 4.24Å; F49-V137 HydrophobicContact CD1-CG2 3.43Å; F49-V137 VanDerWaalsContact CD1-CG2 3.43Å; F49-V137 HydrophobicContact CE1-CG2 4.05Å; F49-V137 HydrophobicContact CG-CG2 4.05Å; L51-V137 HydrophobicContact CD2-CG1 3.79Å; L51-V137 HydrophobicContact CD2-CG2 4.06Å; V137-K141 HydrophobicContact CG1-CD 4.49Å; V137-I143 HydrophobicContact CG2-CG2 4.38Å |
| 138 | L | 87.8 | Confident | 75.4 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | trans | -79.8 | 163.2 | -179.2 | -64.6 | 174.8 | 0 | 0 | 0 | 111.7 | K15 I136 N140 K141 R142 | K15-L138 HydrophobicContact CB-CD1 4.03Å; K15-L138 HydrophobicContact CD-CD1 3.93Å; K15-L138 HydrophobicContact CG-CD1 3.65Å; I136-L138 HydrophobicContact CD1-CD2 4.02Å; I136-L138 HydrophobicContact CG1-CD2 4.36Å; L138-N140 WeakPolarHBondContact CB-OD1 3.48Å; L138-N140 PolarHBondContact O-N 3.43Å; L138-N140 VanDerWaalsContact O-N 3.17Å; L138-K141 WeakPolarHBondContact O-CA 3.23Å; L138-K141 PolarHBondContact O-N 2.77Å; L138-R142 WeakPolarHBondContact CB-O 3.35Å; L138-R142 PolarHBondContact N-O 3.18Å | ||
| 139 | P | 86.6 | Confident | 75.7 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 86% | 0.857 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.9 | 178 | -26.9 | 36 | 0 | 0 | 0 | 114.4 | K141 | P139-K141 PolarHBondContact O-N 3.43Š|
| 140 | N | 87 | Confident | 76.2 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.4 | 174 | 67.6 | -2.5 | 0 | 0 | 0 | 113.9 | L138 R142 | L138-N140 WeakPolarHBondContact CB-OD1 3.48Å; L138-N140 PolarHBondContact O-N 3.43Å; L138-N140 VanDerWaalsContact O-N 3.17Å; N140-R142 PolarHBondContact O-N 3.14Å; N140-R142 PolarHBondContact OD1-N 2.85Å |
| 141 | K | 87.8 | Confident | 77.1 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 64.9 | 8.1 | -179.7 | -52.5 | -65.5 | -174 | 168.1 | 0 | 116.3 | P52 S55 V137 L138 P139 | P52-K141 HydrophobicContact CG-CB 3.75Å; P52-K141 HydrophobicContact CG-CG 4.03Å; S55-K141 WeakPolarHBondContact CB-O 3.35Å; S55-K141 WeakPolarHBondContact OG-CB 3.14Å; S55-K141 PolarHBondContact OG-O 3.29Å; V137-K141 HydrophobicContact CG1-CD 4.49Å; L138-K141 WeakPolarHBondContact O-CA 3.23Å; L138-K141 PolarHBondContact O-N 2.77Å; P139-K141 PolarHBondContact O-N 3.43Å |
| 142 | R | 89.4 | Confident | 77.9 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | trans | -74.5 | 161.4 | 162.2 | -70 | 174.2 | 170 | -170.4 | -3.1 | 110.6 | E13 G14 K15 L138 N140 | E13-R142 HydrophobicContact CB-CG 4.41Å; E13-R142 VanDerWaalsContact CD-CZ 3.43Å; E13-R142 HydrophobicContact CG-CG 4.22Å; E13-R142 WeakPolarHBondContact O-CA 3.22Å; E13-R142 WeakPolarHBondContact O-CB 3.44Å; E13-R142 IonicContact OE1-CZ 2.67Å; E13-R142 IonicContact OE1-NE 3.93Å; E13-R142 IonicContact OE1-NH2 2.7Å; E13-R142 PolarHBondContact OE1-NH2 2.68Å; E13-R142 IonicContact OE2-CZ 2.68Å; E13-R142 IonicContact OE2-NE 3.23Å; E13-R142 PolarHBondContact OE2-NE 3.32Å; E13-R142 IonicContact OE2-NH2 2.98Å; E13-R142 PolarHBondContact OE2-NH2 3.16Å; G14-R142 WeakPolarHBondContact O-CD 3.47Å; K15-R142 PolarHBondContact O-NH1 2.8Å; L138-R142 WeakPolarHBondContact CB-O 3.35Å; L138-R142 PolarHBondContact N-O 3.18Å; N140-R142 PolarHBondContact O-N 3.14Å; N140-R142 PolarHBondContact OD1-N 2.85Å | ||
| 143 | I | 90.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 148.4 | 170.7 | 58.2 | 174.5 | 0 | 0 | 0 | 111.4 | V12 E13 G14 K15 Y20 L37 F49 L51 V135 I136 V137 V145 | V12-I143 HydrophobicContact CB-CD1 4.14Å; V12-I143 HydrophobicContact CG1-CD1 3.76Å; V12-I143 HydrophobicContact CG1-CG1 4Å; V12-I143 HydrophobicContact CG1-CG2 4.22Å; E13-I143 PolarHBondContact O-N 3.05Å; G14-I143 CarbonylContact C-O 3.59Å; G14-I143 WeakPolarHBondContact CA-O 3.43Å; K15-I143 PolarHBondContact N-O 2.96Å; Y20-I143 HydrophobicContact CD2-CD1 3.58Å; Y20-I143 HydrophobicContact CD2-CG1 4.16Å; Y20-I143 HydrophobicContact CE2-CD1 4.27Å; Y20-I143 HydrophobicContact CG-CD1 4Å; L37-I143 HydrophobicContact CD1-CD1 3.78Å; L37-I143 HydrophobicContact CD2-CD1 4.12Å; F49-I143 HydrophobicContact CD2-CG2 4.43Å; F49-I143 HydrophobicContact CE2-CG2 4.45Å; L51-I143 HydrophobicContact CD1-CG2 4.33Å; L51-I143 HydrophobicContact CD2-CG2 4.5Å; V135-I143 HydrophobicContact CG1-CB 4.49Å; I136-I143 CarbonylContact O-C 3.55Å; I136-I143 WeakPolarHBondContact O-CA 3.41Å; V137-I143 HydrophobicContact CG2-CG2 4.38Å; I143-V145 HydrophobicContact CD1-CG2 4.27Å |
| 144 | S | 87.7 | Confident | 79.9 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 113.2 | 169.4 | -168.3 | 0 | 0 | 0 | 0 | 107.7 | V135 I136 | V135-S144 WeakPolarHBondContact CA-O 3.32Å; I136-S144 PolarHBondContact N-O 3.28Å; I136-S144 VanDerWaalsContact N-O 3.08Å; I136-S144 PolarHBondContact O-N 2.87Å |
| 145 | V | 84.1 | Confident | 80.3 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | trans | -105.4 | 135.9 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 108 | Y20 A98 L101 V135 I143 H147 | Y20-V145 HydrophobicContact CD1-CG2 4.35Å; Y20-V145 HydrophobicContact CD2-CG2 4.32Å; Y20-V145 HydrophobicContact CE1-CB 4.11Å; Y20-V145 HydrophobicContact CE1-CG1 4.1Å; Y20-V145 HydrophobicContact CE1-CG2 3.79Å; Y20-V145 HydrophobicContact CE2-CB 4.19Å; Y20-V145 HydrophobicContact CE2-CG2 3.75Å; Y20-V145 WeakPolarHBondContact OH-CB 3.11Å; A98-V145 HydrophobicContact CB-CG1 4.05Å; L101-V145 HydrophobicContact CD1-CG1 3.85Å; L101-V145 HydrophobicContact CD1-CG2 3.94Å; V135-V145 HydrophobicContact CB-CG2 4.4Å; V135-V145 HydrophobicContact CG1-CG2 3.6Å; V135-V145 HydrophobicContact CG2-CB 4.39Å; V135-V145 HydrophobicContact CG2-CG1 4.22Å; V135-V145 HydrophobicContact CG2-CG2 3.96Å; I143-V145 HydrophobicContact CD1-CG2 4.27Å; V145-H147 PolarHBondContact O-N 2.86Å; V145-H147 VanDerWaalsContact O-N 3.12Å | ||
| 146 | P | 76.8 | Confident | 80.6 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | trans | -60.1 | 112.6 | 168.9 | -22 | 32.3 | 0 | 0 | 0 | 110.7 | A98 | A98-P146 HydrophobicContact CB-CB 4.23Å; A98-P146 HydrophobicContact CB-CG 4.28Å | ||
| 147 | H | 71.5 | Confident | 80.8 | Confident | 65 Ų | 65 | 63 Ų | 63 | 30% | 0.301 | 35% | 0.346 | S | S | . | . | trans | -83 | 156.2 | 173.6 | 65.4 | 84.3 | 0 | 0 | 0 | 110.7 | Y16 V145 L151 | Y16-H147 AromaticContact CE2-CD2 3.78Å; Y16-H147 PolarHBondContact OH-NE2 2.92Å; V145-H147 PolarHBondContact O-N 2.86Å; V145-H147 VanDerWaalsContact O-N 3.12Å; H147-L151 HydrophobicContact CB-CD2 3.96Å | ||
| 148 | P | 64.6 | Low | 80.9 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 14% | 0.143 | 35% | 0.348 | C | S | . | . | trans | -62.6 | 146.8 | 173.1 | 26.5 | -34.6 | 0 | 0 | 0 | 110.8 | S150 L151 | P148-S150 PolarHBondContact O-N 2.94Å; P148-L151 WeakPolarHBondContact O-CB 3.29Å; P148-L151 PolarHBondContact O-N 3.04Å | ||
| 149 | S | 61.3 | Low | 80.8 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 93% | 0.93 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -5.9 | 176.6 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 150 | S | 60.6 | Low | 80.9 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.3 | 172.2 | 62.8 | 0 | 0 | 0 | 0 | 114 | P148 E152 | P148-S150 PolarHBondContact O-N 2.94Å; S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 PolarHBondContact O-N 2.86Å |
| 151 | L | 70.4 | Confident | 81 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | trans | -74.4 | 83.9 | 178.9 | -171.5 | 66.9 | 0 | 0 | 0 | 110.5 | I79 W105 L121 F125 H147 P148 | I79-L151 HydrophobicContact CD1-CD1 3.77Å; I79-L151 HydrophobicContact CG2-CD1 4.2Å; W105-L151 HydrophobicContact CE3-CD2 4.4Å; W105-L151 HydrophobicContact CH2-CD2 3.51Å; W105-L151 HydrophobicContact CZ2-CD2 3.7Å; W105-L151 HydrophobicContact CZ3-CD2 3.88Å; L121-L151 HydrophobicContact CD1-CD1 3.7Å; L121-L151 HydrophobicContact CD1-CG 4.08Å; F125-L151 HydrophobicContact CE1-CD2 3.67Å; F125-L151 HydrophobicContact CE1-CG 4.4Å; F125-L151 HydrophobicContact CZ-CD2 3.69Å; F125-L151 HydrophobicContact CZ-CG 4.02Å; H147-L151 HydrophobicContact CB-CD2 3.96Å; P148-L151 WeakPolarHBondContact O-CB 3.29Å; P148-L151 PolarHBondContact O-N 3.04Å | ||
| 152 | E | 74.7 | Confident | 81.1 | Confident | 132 Ų | 132 | 59.6 Ų | 59.6 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | trans | -75 | 157.9 | 173.8 | -68.6 | -167.3 | -166.7 | 0 | 0 | 111.9 | S150 T154 | S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 PolarHBondContact O-N 2.86Å; E152-T154 PolarHBondContact O-N 2.82Å | ||
| 153 | K | 82.1 | Confident | 81.1 | Confident | 107 Ų | 107 | 56.7 Ų | 56.7 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65.6 | -21.8 | 176.1 | -153.9 | -157.8 | 178.9 | -161 | 0 | 112.5 | E120 L121 | E120-K153 CarbonylContact C-O 3.6Å; E120-K153 VanDerWaalsContact CA-O 3.3Å; E120-K153 WeakPolarHBondContact CA-O 3.19Å; E120-K153 HydrophobicContact CG-CD 4.23Å; E120-K153 HydrophobicContact CG-CG 4.36Å; E120-K153 WeakPolarHBondContact CG-O 3.38Å; E120-K153 WeakPolarHBondContact OE1-CE 3.45Å; E120-K153 IonicContact OE1-NZ 2.88Å; E120-K153 PolarHBondContact OE1-NZ 3.36Å; L121-K153 PolarHBondContact N-O 2.58Å; L121-K153 WeakPolarHBondContact O-CE 3.43Å |
| 154 | T | 82 | Confident | 81 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.3 | 174.3 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | V119 E120 E152 | V119-T154 CarbonylContact O-C 3.6Å; V119-T154 VanDerWaalsContact O-CA 3.24Å; V119-T154 WeakPolarHBondContact O-CA 3.31Å; E120-T154 HydrophobicContact CB-CG2 3.98Å; E120-T154 HydrophobicContact CG-CG2 3.9Å; E152-T154 PolarHBondContact O-N 2.82Å |
| 155 | D | 84.8 | Confident | 81 | Confident | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.4 | -175.2 | -162.2 | 2.9 | 0 | 0 | 0 | 111.3 | I118 V119 | I118-D155 WeakPolarHBondContact CA-O 3.07Å; V119-D155 HydrophobicContact CG2-CB 4.34Å; V119-D155 PolarHBondContact N-O 3.03Å; V119-D155 PolarHBondContact O-N 3.44Å |
| 156 | I | 89.2 | Confident | 80.8 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 99 | -179.1 | -51.7 | -177.6 | 0 | 0 | 0 | 108.9 | F116 I118 | F116-I156 HydrophobicContact CB-CG2 4.07Å; F116-I156 HydrophobicContact CD1-CG2 4.39Å; F116-I156 HydrophobicContact CG-CG2 4.46Å; I118-I156 HydrophobicContact CG1-CG1 4.33Å |
| 157 | V | 89.7 | Confident | 81 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 159.2 | -174.2 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | V77 F116 V117 V119 Q161 L162 | V77-V157 HydrophobicContact CG2-CB 4.06Å; V77-V157 HydrophobicContact CG2-CG1 3.69Å; V77-V157 HydrophobicContact CG2-CG2 3.84Å; F116-V157 CarbonylContact C-O 3.54Å; F116-V157 WeakPolarHBondContact CA-O 3.27Å; V117-V157 HydrophobicContact CB-CG2 4.44Å; V117-V157 PolarHBondContact N-O 3.01Å; V117-V157 WeakPolarHBondContact O-CG2 3.43Å; V117-V157 PolarHBondContact O-N 3.16Å; V119-V157 HydrophobicContact CG1-CG2 3.93Å; V119-V157 HydrophobicContact CG2-CG1 4.45Å; V119-V157 HydrophobicContact CG2-CG2 3.96Å; V157-Q161 HydrophobicContact CB-CB 4.44Å; V157-Q161 VanDerWaalsContact CB-OE1 3.27Å; V157-L162 HydrophobicContact CG2-CD2 3.79Å; V157-L162 HydrophobicContact CG2-CG 4.3Å |
| 158 | E | 89.8 | Confident | 81.4 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 152.9 | 172.8 | -79.4 | -168.9 | -140 | 0 | 0 | 112.1 | F116 H160 Q161 | F116-E158 HydrophobicContact CD1-CG 3.88Å; F116-E158 HydrophobicContact CE1-CG 3.67Å; E158-H160 VanDerWaalsContact CB-ND1 3.34Å; E158-H160 WeakPolarHBondContact CB-ND1 3.48Å; E158-H160 PolarHBondContact O-N 2.86Å; E158-H160 IonicContact OE1-CE1 2.73Å; E158-H160 IonicContact OE2-CE1 2.68Å; E158-H160 PolarHBondContact OE2-CE1 2.89Å; E158-H160 VanDerWaalsContact OE2-CE1 3.23Å; E158-H160 IonicContact OE2-ND1 3.49Å; E158-H160 PolarHBondContact OE2-ND1 3.39Å; E158-Q161 WeakPolarHBondContact O-CB 3.45Å; E158-Q161 PolarHBondContact O-N 2.86Å |
| 159 | K | 86.9 | Confident | 82.6 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 27% | 0.274 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -50.5 | -30.6 | 173.2 | -74.8 | -173 | 174.5 | -169.3 | 0 | 113.9 | E68 P69 S115 V117 Q161 L162 | E68-K159 IonicContact OE1-NZ 3.18Å; E68-K159 PolarHBondContact OE1-NZ 3.03Å; E68-K159 IonicContact OE2-NZ 3.46Å; E68-K159 PolarHBondContact OE2-NZ 2.85Å; P69-K159 HydrophobicContact CG-CG 4.31Å; S115-K159 PolarHBondContact O-N 3.22Å; S115-K159 VanDerWaalsContact O-N 3.13Å; V117-K159 HydrophobicContact CG2-CG 3.92Å; K159-Q161 PolarHBondContact O-N 3.12Å; K159-L162 PolarHBondContact O-N 3.01Å |
| 160 | H | 87.4 | Confident | 84 | Confident | 130 Ų | 130 | 68.2 Ų | 68.2 | 60% | 0.602 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -72.1 | -15.5 | -179.7 | 79.8 | -107 | 0 | 0 | 0 | 113.9 | E158 | E158-H160 VanDerWaalsContact CB-ND1 3.34Å; E158-H160 WeakPolarHBondContact CB-ND1 3.48Å; E158-H160 PolarHBondContact O-N 2.86Å; E158-H160 IonicContact OE1-CE1 2.73Å; E158-H160 IonicContact OE2-CE1 2.68Å; E158-H160 PolarHBondContact OE2-CE1 2.89Å; E158-H160 VanDerWaalsContact OE2-CE1 3.23Å; E158-H160 IonicContact OE2-ND1 3.49Å; E158-H160 PolarHBondContact OE2-ND1 3.39Å |
| 161 | Q | 89.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -93.1 | -1.1 | 179.5 | -59.9 | 171.1 | -10.4 | 0 | 0 | 111.9 | V77 L78 W104 V157 E158 K159 | V77-Q161 CarbonylContact C-O 3.57Å; V77-Q161 WeakPolarHBondContact CA-O 3.44Å; L78-Q161 PolarHBondContact N-O 3.24Å; W104-Q161 WeakPolarHBondContact CZ3-O 3.4Å; V157-Q161 HydrophobicContact CB-CB 4.44Å; V157-Q161 VanDerWaalsContact CB-OE1 3.27Å; E158-Q161 WeakPolarHBondContact O-CB 3.45Å; E158-Q161 PolarHBondContact O-N 2.86Å; K159-Q161 PolarHBondContact O-N 3.12Å |
| 162 | L | 90.1 | Very high | 86.8 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 141.1 | -178.1 | -60.3 | -177.5 | 0 | 0 | 0 | 111.7 | L67 P69 V75 V77 V117 V119 V157 K159 | L67-L162 HydrophobicContact CD2-CB 4.18Å; P69-L162 HydrophobicContact CB-CD1 4.32Å; V75-L162 HydrophobicContact CB-CD2 4.44Å; V75-L162 HydrophobicContact CG2-CD2 3.99Å; V77-L162 HydrophobicContact CB-CD2 3.78Å; V77-L162 HydrophobicContact CG2-CD2 3.83Å; V117-L162 HydrophobicContact CB-CD1 3.93Å; V117-L162 HydrophobicContact CG1-CD1 3.9Å; V117-L162 HydrophobicContact CG2-CD1 3.8Å; V119-L162 HydrophobicContact CG1-CD2 4.13Å; V157-L162 HydrophobicContact CG2-CD2 3.79Å; V157-L162 HydrophobicContact CG2-CG 4.3Å; K159-L162 PolarHBondContact O-N 3.01Å |
| 163 | R | 90.7 | Very high | 87.7 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.1 | 164.9 | 72.3 | -175.7 | -172.7 | 179.5 | 7.4 | 110.5 | E11 V75 D76 W104 R165 | E11-R163 VanDerWaalsContact CD-NH2 3.27Å; E11-R163 IonicContact OE1-CZ 3.49Å; E11-R163 VanDerWaalsContact OE1-CZ 3.23Å; E11-R163 IonicContact OE1-NH1 3.59Å; E11-R163 PolarHBondContact OE1-NH1 3.46Å; E11-R163 IonicContact OE1-NH2 3.32Å; E11-R163 PolarHBondContact OE1-NH2 3.01Å; E11-R163 IonicContact OE2-CZ 2.72Å; E11-R163 IonicContact OE2-NH2 2.97Å; E11-R163 PolarHBondContact OE2-NH2 3.47Å; V75-R163 WeakPolarHBondContact CA-O 3.15Å; D76-R163 HydrophobicContact CB-CG 3.56Å; D76-R163 PolarHBondContact N-O 2.91Å; D76-R163 PolarHBondContact O-N 3Å; D76-R163 IonicContact OD2-CZ 2.75Å; D76-R163 IonicContact OD2-NE 2.69Å; D76-R163 PolarHBondContact OD2-NE 3.42Å; D76-R163 IonicContact OD2-NH2 2.7Å; D76-R163 PolarHBondContact OD2-NH2 3.36Å; W104-R163 VanDerWaalsContact CD2-CZ 3.47Å; W104-R163 HydrophobicContact CE3-CG 3.79Å; W104-R163 VanDerWaalsContact CG-CZ 3.43Å; W104-R163 HydrophobicContact CH2-CB 4.32Å; W104-R163 HydrophobicContact CH2-CG 4.13Å; W104-R163 HydrophobicContact CZ3-CB 4.02Å; W104-R163 HydrophobicContact CZ3-CG 3.56Å; R163-R165 PolarHBondContact O-N 2.92Å |
| 164 | P | 87.8 | Confident | 88.3 | Confident | 51 Ų | 51 | 63 Ų | 63 | 33% | 0.331 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 137.3 | 173.9 | -21.3 | 31.8 | 0 | 0 | 0 | 111.2 | L67 V166 | L67-P164 HydrophobicContact CD1-CG 4.39Å; P164-V166 PolarHBondContact O-N 2.82Å |
| 165 | R | 87.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | trans | -67.2 | 115.4 | 171.9 | -178.1 | 64 | 172.8 | 165.4 | -2.6 | 109 | E74 D76 R163 | E74-R165 HydrophobicContact CB-CB 3.95Å; E74-R165 HydrophobicContact CB-CG 4.28Å; E74-R165 WeakPolarHBondContact O-CB 3.39Å; D76-R165 WeakPolarHBondContact OD1-CD 3.38Å; D76-R165 IonicContact OD1-CZ 2.76Å; D76-R165 IonicContact OD1-NE 2.68Å; D76-R165 IonicContact OD1-NH1 2.79Å; D76-R165 PolarHBondContact OD1-NH1 3.49Å; D76-R165 IonicContact OD2-NH1 2.58Å; R163-R165 PolarHBondContact O-N 2.92Å | ||
| 166 | V | 80.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | trans | -110.5 | 115.2 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | R57 P60 P164 H168 | R57-V166 PolarHBondContact NH1-O 3.24Å; P60-V166 HydrophobicContact CB-CG2 4.24Å; P60-V166 HydrophobicContact CG-CB 4.39Å; P60-V166 HydrophobicContact CG-CG2 4.17Å; P164-V166 PolarHBondContact O-N 2.82Å; V166-H168 PolarHBondContact O-N 2.75Å | ||
| 167 | H | 80.2 | Confident | 89.6 | Confident | 141 Ų | 141 | 57.6 Ų | 57.6 | 65% | 0.653 | 31% | 0.308 | S | S | * | . | trans | -80.2 | 62.7 | 175.3 | -55.7 | -92.9 | 0 | 0 | 0 | 110.8 | E74 | E74-H167 IonicContact OE2-CE1 3.22Å; E74-H167 IonicContact OE2-NE2 3.91Å | ||
| 168 | H | 80.7 | Confident | 89.9 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 129.4 | 164.2 | -74.4 | -33.9 | 0 | 0 | 0 | 108.9 | L58 V166 | L58-H168 PolarHBondContact O-CD2 2.8Å; V166-H168 PolarHBondContact O-N 2.75Å |
| 169 | P | 88.5 | Confident | 90.1 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 150.5 | 173.2 | 29.7 | -34.7 | 0 | 0 | 0 | 109.9 | ||
| 170 | N | 91.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 151.5 | 172 | -63 | 5.6 | 0 | 0 | 0 | 109.9 | S54 L56 | S54-N170 WeakPolarHBondContact O-CB 3.35Å; S54-N170 PolarHBondContact O-ND2 2.87Å; L56-N170 CarbonylContact O-C 3.56Å; L56-N170 WeakPolarHBondContact O-CA 3.48Å; L56-N170 WeakPolarHBondContact O-CB 3.33Å |
| 171 | L | 94.6 | Very high | 90.7 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -71 | 161.3 | -173.3 | -67.2 | 166.9 | 0 | 0 | 0 | 111.3 | V10 P53 S54 L56 L58 F176 | V10-L171 HydrophobicContact CG1-CD1 4.13Å; P53-L171 CarbonylContact C-O 3.46Å; P53-L171 HydrophobicContact CB-CB 4.03Å; P53-L171 WeakPolarHBondContact CB-O 3.41Å; P53-L171 CarbonylContact O-C 3.57Å; P53-L171 WeakPolarHBondContact O-CB 3.38Å; P53-L171 PolarHBondContact O-N 3.47Å; P53-L171 VanDerWaalsContact O-O 3.11Å; S54-L171 WeakPolarHBondContact CA-O 3.34Å; S54-L171 PolarHBondContact N-O 3.5Å; L56-L171 HydrophobicContact CB-CD1 4.14Å; L56-L171 PolarHBondContact O-N 3.23Å; L58-L171 HydrophobicContact CG-CD2 4.23Å; L171-F176 HydrophobicContact CB-CE2 4.34Å; L171-F176 HydrophobicContact CD1-CZ 3.93Å |
| 172 | S | 94.9 | Very high | 90.8 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | trans | -135 | 169.7 | 176.1 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | S174 S175 F176 | S172-S174 PolarHBondContact O-N 2.91Å; S172-S174 PolarHBondContact OG-OG 3.1Å; S172-S174 VanDerWaalsContact OG-OG 3.11Å; S172-S175 PolarHBondContact N-OG 3.27Å; S172-S175 VanDerWaalsContact O-CB 3.24Å; S172-S175 WeakPolarHBondContact O-CB 3.29Å; S172-S175 PolarHBondContact O-N 3.14Å; S172-S175 PolarHBondContact O-OG 2.77Å; S172-S175 PolarHBondContact OG-N 2.88Å; S172-S175 PolarHBondContact OG-OG 3Å; S172-F176 WeakPolarHBondContact O-CD2 3.3Å | ||
| 173 | V | 93.9 | Very high | 90.8 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -54.9 | -37 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L30 E31 P53 S175 F176 | L30-V173 HydrophobicContact CB-CG1 3.83Å; L30-V173 HydrophobicContact CB-CG2 4.13Å; L30-V173 HydrophobicContact CD1-CG1 3.82Å; L30-V173 HydrophobicContact CG-CG1 4.45Å; E31-V173 HydrophobicContact CG-CG2 4.13Å; P53-V173 HydrophobicContact CG-CG2 4.5Å; V173-S175 VanDerWaalsContact C-N 3.28Å; V173-S175 PolarHBondContact O-N 2.91Å; V173-F176 PolarHBondContact O-N 3.17Å |
| 174 | S | 94 | Very high | 90.8 | Very high | 98 Ų | 98 | 52 Ų | 52 | 69% | 0.685 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -79.1 | -4.2 | 177.9 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | S172 | S172-S174 PolarHBondContact O-N 2.91Å; S172-S174 PolarHBondContact OG-OG 3.1Å; S172-S174 VanDerWaalsContact OG-OG 3.11Å |
| 175 | S | 94.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -77.9 | -9.1 | 171.1 | -52.1 | 0 | 0 | 0 | 0 | 113 | S172 V173 | S172-S175 PolarHBondContact N-OG 3.27Å; S172-S175 VanDerWaalsContact O-CB 3.24Å; S172-S175 WeakPolarHBondContact O-CB 3.29Å; S172-S175 PolarHBondContact O-N 3.14Å; S172-S175 PolarHBondContact O-OG 2.77Å; S172-S175 PolarHBondContact OG-N 2.88Å; S172-S175 PolarHBondContact OG-OG 3Å; V173-S175 VanDerWaalsContact C-N 3.28Å; V173-S175 PolarHBondContact O-N 2.91Å |
| 176 | F | 95 | Very high | 90.7 | Very high | 14 Ų | 14 | 54 Ų | 54 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -111.4 | 132.6 | 178.5 | -61.3 | -81.1 | 0 | 0 | 0 | 111 | I8 I24 L33 P53 L171 S172 V173 I240 T242 | I8-F176 HydrophobicContact CD1-CD1 4.03Å; I8-F176 HydrophobicContact CD1-CE1 3.91Å; I24-F176 HydrophobicContact CD1-CE1 3.67Å; I24-F176 HydrophobicContact CD1-CZ 3.64Å; L33-F176 HydrophobicContact CD1-CE2 3.8Å; L33-F176 HydrophobicContact CD1-CZ 3.7Å; P53-F176 HydrophobicContact CB-CE2 4.14Å; P53-F176 HydrophobicContact CG-CE2 4.13Å; L171-F176 HydrophobicContact CB-CE2 4.34Å; L171-F176 HydrophobicContact CD1-CZ 3.93Å; S172-F176 WeakPolarHBondContact O-CD2 3.3Å; V173-F176 PolarHBondContact O-N 3.17Å; F176-I240 HydrophobicContact CB-CG2 4.13Å; F176-I240 HydrophobicContact CD1-CG2 4.01Å; F176-I240 HydrophobicContact CG-CG2 4.41Å; F176-T242 HydrophobicContact CD1-CG2 3.99Å; F176-T242 HydrophobicContact CE1-CG2 3.94Å | ||
| 177 | H | 95.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 52 Ų | 52 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.1 | 171.7 | -53.6 | -58.1 | 0 | 0 | 0 | 108.8 | I240 S241 V244 I247 | H177-I240 WeakPolarHBondContact O-CA 3.5Å; H177-S241 PolarHBondContact N-O 2.76Å; H177-S241 PolarHBondContact O-N 3.41Å; H177-V244 VanDerWaalsContact CD2-CG2 3.4Å; H177-V244 WeakPolarHBondContact CD2-CG2 3.49Å; H177-V244 VanDerWaalsContact NE2-CG2 3.35Å; H177-V244 WeakPolarHBondContact NE2-CG2 3.38Å; H177-I247 HydrophobicContact CB-CB 4.38Å; H177-I247 HydrophobicContact CB-CG1 3.6Å; H177-I247 WeakPolarHBondContact O-CD1 3.39Å |
| 178 | I | 94.7 | Very high | 91.9 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 30% | 0.297 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.2 | -169.6 | -49.5 | 174.8 | 0 | 0 | 0 | 109.3 | L30 L238 V239 I240 | L30-I178 HydrophobicContact CD1-CD1 3.85Å; L30-I178 HydrophobicContact CD2-CD1 3.61Å; L30-I178 HydrophobicContact CG-CD1 4.34Å; I178-L238 HydrophobicContact CG2-CB 4.44Å; I178-L238 HydrophobicContact CG2-CD2 4.16Å; I178-V239 CarbonylContact C-O 3.59Å; I178-V239 VanDerWaalsContact CA-O 3.31Å; I178-V239 WeakPolarHBondContact CA-O 3.4Å; I178-I240 HydrophobicContact CG1-CG1 4.32Å; I178-I240 HydrophobicContact CG2-CG1 4.24Å |
| 179 | H | 95.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.4 | 158.2 | -167.2 | 40.4 | 0 | 0 | 0 | 109.9 | V239 I247 A250 D254 | H179-V239 HydrophobicContact CB-CB 4.18Å; H179-V239 PolarHBondContact N-O 2.94Å; H179-V239 PolarHBondContact O-N 3.25Å; H179-I247 HydrophobicContact CB-CG2 4.06Å; H179-A250 HydrophobicContact CB-CB 4.13Å; H179-D254 IonicContact CD2-OD2 2.77Å; H179-D254 IonicContact CE1-OD2 2.87Å; H179-D254 IonicContact NE2-OD2 3.78Å; H179-D254 PolarHBondContact NE2-OD2 2.9Å |
| 180 | A | 93.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R236 L238 | A180-R236 HydrophobicContact CB-CG 4.34Å; A180-L238 HydrophobicContact CB-CD2 4.4Å |
| 181 | I | 93.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.6 | 179.8 | -50.6 | 174.3 | 0 | 0 | 0 | 108.3 | I183 F200 R236 L237 V239 D254 F257 V258 | I181-I183 HydrophobicContact CB-CD1 4.38Å; I181-I183 HydrophobicContact CG2-CD1 3.85Å; I181-I183 PolarHBondContact O-N 3.36Å; I181-F200 HydrophobicContact CD1-CE1 3.7Å; I181-F200 HydrophobicContact CD1-CZ 3.46Å; I181-F200 VanDerWaalsContact CD1-CZ 3.46Å; I181-R236 CarbonylContact O-C 3.55Å; I181-R236 VanDerWaalsContact O-CA 3.3Å; I181-R236 WeakPolarHBondContact O-CA 3.46Å; I181-L237 HydrophobicContact CB-CB 4.36Å; I181-L237 PolarHBondContact N-O 2.61Å; I181-L237 PolarHBondContact O-N 2.99Å; I181-V239 HydrophobicContact CD1-CG2 3.8Å; I181-V239 HydrophobicContact CG1-CG2 4.43Å; I181-D254 HydrophobicContact CD1-CB 3.78Å; I181-D254 HydrophobicContact CG1-CB 3.87Å; I181-D254 HydrophobicContact CG2-CB 4.17Å; I181-F257 HydrophobicContact CD1-CD1 4.45Å; I181-V258 HydrophobicContact CG2-CG2 3.91Å |
| 182 | D | 90.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.9 | 178.5 | -76.5 | -12.8 | 0 | 0 | 0 | 110.1 | L233 R236 | D182-L233 HydrophobicContact CB-CD1 4.36Å; D182-L233 HydrophobicContact CB-CD2 3.44Å; D182-L233 VanDerWaalsContact CB-CD2 3.44Å; D182-L233 WeakPolarHBondContact OD1-CD2 3.36Å; D182-R236 IonicContact OD1-CZ 3.38Å; D182-R236 IonicContact OD1-NE 3.64Å; D182-R236 PolarHBondContact OD1-NE 2.97Å; D182-R236 IonicContact OD1-NH2 3.2Å; D182-R236 PolarHBondContact OD1-NH2 2.67Å; D182-R236 IonicContact OD2-NH2 2.74Å; D182-R236 PolarHBondContact OD2-NH2 2.91Å |
| 183 | I | 90.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.2 | -171.2 | -59.1 | -57.9 | 0 | 0 | 0 | 110.2 | I181 D185 L187 A188 L233 S235 L237 F257 V258 | I181-I183 HydrophobicContact CB-CD1 4.38Å; I181-I183 HydrophobicContact CG2-CD1 3.85Å; I181-I183 PolarHBondContact O-N 3.36Å; I183-D185 PolarHBondContact O-N 3.23Å; I183-L187 HydrophobicContact CG2-CB 3.97Å; I183-A188 HydrophobicContact CG2-CB 4.33Å; I183-L233 WeakPolarHBondContact O-CD1 3.34Å; I183-S235 PolarHBondContact N-O 3.34Å; I183-S235 VanDerWaalsContact N-O 3.14Å; I183-L237 HydrophobicContact CD1-CB 3.94Å; I183-L237 HydrophobicContact CG1-CB 3.74Å; I183-F257 HydrophobicContact CD1-CE1 4.25Å; I183-V258 HydrophobicContact CD1-CG2 4.22Å |
| 184 | P | 89.2 | Confident | 91.9 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | trans | -50.9 | 138.5 | 171.6 | -28.4 | 36.1 | 0 | 0 | 0 | 112.4 | E186 L187 A188 V258 | P184-E186 VanDerWaalsContact CB-CD 3.47Å; P184-E186 VanDerWaalsContact CB-OE1 3.31Å; P184-E186 WeakPolarHBondContact CB-OE1 3.37Å; P184-E186 WeakPolarHBondContact CB-OE2 3.49Å; P184-E186 PolarHBondContact O-N 3.44Å; P184-L187 HydrophobicContact CB-CG 4.43Å; P184-L187 HydrophobicContact CG-CD1 4.39Å; P184-L187 PolarHBondContact O-N 3.38Å; P184-A188 PolarHBondContact O-N 2.93Å; P184-V258 HydrophobicContact CG-CG1 4.44Å | ||
| 185 | D | 86.2 | Confident | 91.8 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.5 | -171.2 | -80 | 6.1 | 0 | 0 | 0 | 113.6 | I183 L187 K234 | I183-D185 PolarHBondContact O-N 3.23Å; D185-L187 VanDerWaalsContact C-N 3.29Å; D185-L187 PolarHBondContact O-N 3.43Å; D185-K234 VanDerWaalsContact OD1-CB 3.31Å; D185-K234 WeakPolarHBondContact OD1-CB 3.38Å; D185-K234 PolarHBondContact OD1-N 2.94Å; D185-K234 WeakPolarHBondContact OD2-CD 3.11Å; D185-K234 WeakPolarHBondContact OD2-CG 3.23Å; D185-K234 IonicContact OD2-NZ 3.89Å; D185-K234 PolarHBondContact OD2-NZ 3.29Å |
| 186 | E | 88.8 | Confident | 91.7 | Very high | 97 Ų | 97 | 47.1 Ų | 47.1 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.2 | 177.2 | 73.9 | -78.1 | -172.3 | 0 | 0 | 114 | P184 R262 | P184-E186 VanDerWaalsContact CB-CD 3.47Å; P184-E186 VanDerWaalsContact CB-OE1 3.31Å; P184-E186 WeakPolarHBondContact CB-OE1 3.37Å; P184-E186 WeakPolarHBondContact CB-OE2 3.49Å; P184-E186 PolarHBondContact O-N 3.44Å; E186-R262 IonicContact OE1-CZ 2.72Å; E186-R262 IonicContact OE1-NH1 2.76Å; E186-R262 PolarHBondContact OE1-NH1 3.13Å; E186-R262 IonicContact OE1-NH2 2.61Å; E186-R262 PolarHBondContact OE1-NH2 2.98Å |
| 187 | L | 92.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -21.8 | 177.8 | -54.3 | -175.6 | 0 | 0 | 0 | 112.4 | I183 P184 D185 P189 Y190 C191 V258 L261 R262 V265 | I183-L187 HydrophobicContact CG2-CB 3.97Å; P184-L187 HydrophobicContact CB-CG 4.43Å; P184-L187 HydrophobicContact CG-CD1 4.39Å; P184-L187 PolarHBondContact O-N 3.38Å; D185-L187 VanDerWaalsContact C-N 3.29Å; D185-L187 PolarHBondContact O-N 3.43Å; L187-P189 VanDerWaalsContact C-N 3.33Å; L187-Y190 WeakPolarHBondContact O-CB 3.33Å; L187-Y190 PolarHBondContact O-N 2.87Å; L187-C191 PolarHBondContact O-N 2.87Å; L187-V258 HydrophobicContact CD1-CG1 3.95Å; L187-L261 HydrophobicContact CB-CD2 4.04Å; L187-L261 HydrophobicContact CB-CG 4.47Å; L187-L261 HydrophobicContact CD1-CD2 4.46Å; L187-R262 HydrophobicContact CD1-CB 4.25Å; L187-R262 HydrophobicContact CD2-CB 4.29Å; L187-V265 HydrophobicContact CD2-CB 4.35Å; L187-V265 HydrophobicContact CD2-CG2 3.96Å |
| 188 | A | 91.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -35.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I183 P184 Y190 C191 S235 | I183-A188 HydrophobicContact CG2-CB 4.33Å; P184-A188 PolarHBondContact O-N 2.93Å; A188-Y190 VanDerWaalsContact C-N 3.33Å; A188-Y190 PolarHBondContact O-N 2.81Å; A188-C191 PolarHBondContact O-N 3.34Å; A188-S235 VanDerWaalsContact CB-OG 3.3Å; A188-S235 WeakPolarHBondContact CB-OG 3.44Å |
| 189 | P | 92.2 | Very high | 91.3 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 51% | 0.506 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -38 | 174.3 | -24.2 | 35.5 | 0 | 0 | 0 | 113.2 | L187 K192 | L187-P189 VanDerWaalsContact C-N 3.33Å; P189-K192 WeakPolarHBondContact O-CB 3.42Å; P189-K192 PolarHBondContact O-N 2.98Å |
| 190 | Y | 92.3 | Very high | 91.4 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -74.9 | -29 | -177.7 | -58.1 | -87.8 | 0 | 0 | 0 | 111.8 | L187 A188 K192 E193 N196 V265 L268 | L187-Y190 WeakPolarHBondContact O-CB 3.33Å; L187-Y190 PolarHBondContact O-N 2.87Å; A188-Y190 VanDerWaalsContact C-N 3.33Å; A188-Y190 PolarHBondContact O-N 2.81Å; Y190-K192 PolarHBondContact O-N 3.34Å; Y190-K192 VanDerWaalsContact O-N 3.13Å; Y190-E193 PolarHBondContact O-N 2.92Å; Y190-N196 WeakPolarHBondContact O-CB 3.16Å; Y190-N196 PolarHBondContact O-ND2 3.22Å; Y190-V265 HydrophobicContact CD1-CG2 3.98Å; Y190-V265 HydrophobicContact CD2-CG2 3.43Å; Y190-V265 VanDerWaalsContact CD2-CG2 3.43Å; Y190-V265 HydrophobicContact CE1-CG2 3.96Å; Y190-V265 HydrophobicContact CE2-CB 4.25Å; Y190-V265 HydrophobicContact CE2-CG1 3.77Å; Y190-V265 HydrophobicContact CE2-CG2 3.4Å; Y190-V265 HydrophobicContact CG-CG2 3.73Å; Y190-L268 HydrophobicContact CE1-CD1 4.27Å |
| 191 | C | 91.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -65.9 | -4.4 | 171.5 | -70.8 | 0 | 0 | 0 | 0 | 114.7 | L187 A188 Y197 L212 L237 | L187-C191 PolarHBondContact O-N 2.87Å; A188-C191 PolarHBondContact O-N 3.34Å; C191-Y197 WeakPolarHBondContact O-CE1 3.24Å; C191-L212 HydrophobicContact CB-CD1 4.36Å; C191-L212 HydrophobicContact CB-CD2 3.75Å; C191-L212 HydrophobicContact CB-CG 4.14Å; C191-L237 HydrophobicContact CB-CD1 4.16Å |
| 192 | K | 89.7 | Confident | 91.5 | Very high | 161 Ų | 161 | 52 Ų | 52 | 70% | 0.7 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -80 | -16.3 | 172.3 | -63.2 | -177.5 | 177.1 | -173.7 | 0 | 113.9 | P189 Y190 L212 | P189-K192 WeakPolarHBondContact O-CB 3.42Å; P189-K192 PolarHBondContact O-N 2.98Å; Y190-K192 PolarHBondContact O-N 3.34Å; Y190-K192 VanDerWaalsContact O-N 3.13Å; K192-L212 HydrophobicContact CB-CD1 4.49Å; K192-L212 HydrophobicContact CG-CD1 3.6Å |
| 193 | E | 90.1 | Very high | 91.7 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -111 | 118.3 | -172.9 | 175.1 | -174.3 | -137.3 | 0 | 0 | 110.7 | Y190 A195 N196 | Y190-E193 PolarHBondContact O-N 2.92Å; E193-A195 HydrophobicContact CG-CB 4.06Å; E193-A195 PolarHBondContact O-N 3.18Å; E193-A195 VanDerWaalsContact O-N 3.12Å; E193-N196 WeakPolarHBondContact O-CB 3.34Å; E193-N196 PolarHBondContact O-N 2.86Å; E193-N196 PolarHBondContact OE2-ND2 2.98Å |
| 194 | P | 88.8 | Confident | 92 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -55.6 | -31.2 | -177.4 | -28.5 | 35.2 | 0 | 0 | 0 | 115.4 | N196 Y197 H198 | P194-N196 PolarHBondContact O-N 3.13Å; P194-N196 VanDerWaalsContact O-N 3.09Å; P194-Y197 VanDerWaalsContact CA-CZ 3.5Å; P194-Y197 HydrophobicContact CB-CE2 4.1Å; P194-Y197 PolarHBondContact O-N 3.13Å; P194-Y197 VanDerWaalsContact O-N 3.08Å; P194-H198 PolarHBondContact O-N 3.1Å |
| 195 | A | 90.7 | Very high | 92.2 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -59.6 | -20.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E193 | E193-A195 HydrophobicContact CG-CB 4.06Å; E193-A195 PolarHBondContact O-N 3.18Å; E193-A195 VanDerWaalsContact O-N 3.12Å |
| 196 | N | 92.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -82.1 | -22.9 | 177.2 | -67.7 | -43.8 | 0 | 0 | 0 | 113.7 | Y190 E193 P194 L261 K264 | Y190-N196 WeakPolarHBondContact O-CB 3.16Å; Y190-N196 PolarHBondContact O-ND2 3.22Å; E193-N196 WeakPolarHBondContact O-CB 3.34Å; E193-N196 PolarHBondContact O-N 2.86Å; E193-N196 PolarHBondContact OE2-ND2 2.98Å; P194-N196 PolarHBondContact O-N 3.13Å; P194-N196 VanDerWaalsContact O-N 3.09Å; N196-L261 HydrophobicContact CB-CD1 4.22Å; N196-K264 PolarHBondContact OD1-NZ 3.32Å |
| 197 | Y | 92.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 3.2 | 176.5 | 51.2 | -99.4 | 0 | 0 | 0 | 114.3 | V6 C191 P194 H199 F200 A201 I210 | V6-Y197 HydrophobicContact CG1-CD2 4.19Å; V6-Y197 HydrophobicContact CG1-CE2 3.98Å; C191-Y197 WeakPolarHBondContact O-CE1 3.24Å; P194-Y197 VanDerWaalsContact CA-CZ 3.5Å; P194-Y197 HydrophobicContact CB-CE2 4.1Å; P194-Y197 PolarHBondContact O-N 3.13Å; P194-Y197 VanDerWaalsContact O-N 3.08Å; Y197-H199 PolarHBondContact O-N 2.75Å; Y197-F200 CarbonylContact O-C 3.58Å; Y197-F200 WeakPolarHBondContact O-CA 3.26Å; Y197-F200 WeakPolarHBondContact O-CB 3.22Å; Y197-F200 PolarHBondContact O-N 3.29Å; Y197-A201 PolarHBondContact O-N 3.01Å; Y197-I210 HydrophobicContact CD1-CG2 4.37Å; Y197-I210 HydrophobicContact CD2-CB 3.64Å; Y197-I210 HydrophobicContact CD2-CD1 4.39Å; Y197-I210 HydrophobicContact CD2-CG2 3.55Å; Y197-I210 HydrophobicContact CE2-CB 3.64Å; Y197-I210 HydrophobicContact CE2-CG2 3.76Å; Y197-I210 WeakPolarHBondContact CE2-O 3.18Å; Y197-I210 HydrophobicContact CG-CB 4.45Å; Y197-I210 HydrophobicContact CG-CG2 3.86Å; Y197-I210 PolarHBondContact OH-O 3.41Å; Y197-I210 VanDerWaalsContact OH-O 3.13Å |
| 198 | H | 92.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -47.8 | -179.4 | -167.4 | 34.3 | 0 | 0 | 0 | 114.4 | E5 P194 F200 A201 R202 | E5-H198 IonicContact OE1-CE1 2.67Å; E5-H198 IonicContact OE1-NE2 2.61Å; E5-H198 PolarHBondContact OE1-NE2 3.47Å; E5-H198 IonicContact OE2-CE1 3.18Å; E5-H198 PolarHBondContact OE2-CE1 3.08Å; E5-H198 IonicContact OE2-NE2 3.93Å; E5-H198 PolarHBondContact OE2-NE2 3.07Å; P194-H198 PolarHBondContact O-N 3.1Å; H198-F200 VanDerWaalsContact C-N 3.26Å; H198-F200 PolarHBondContact O-N 2.61Å; H198-A201 PolarHBondContact O-N 3.39Å; H198-R202 PolarHBondContact NE2-NE 2.75Å; H198-R202 PolarHBondContact O-N 3.19Å |
| 199 | H | 92.9 | Very high | 93 | Very high | 148 Ų | 148 | 56.4 Ų | 56.4 | 69% | 0.685 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.7 | -29.7 | 176.2 | -74.6 | -74.6 | 0 | 0 | 0 | 112.8 | Y197 R203 | Y197-H199 PolarHBondContact O-N 2.75Å; H199-R203 WeakPolarHBondContact O-CG 3.45Å; H199-R203 PolarHBondContact O-N 3.32Å |
| 200 | F | 95.5 | Very high | 93.2 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.7 | -45.5 | 175.8 | 173.9 | -107.9 | 0 | 0 | 0 | 110.9 | I181 Y197 H198 R202 R203 C204 I210 V239 A250 I253 F257 | I181-F200 HydrophobicContact CD1-CE1 3.7Å; I181-F200 HydrophobicContact CD1-CZ 3.46Å; I181-F200 VanDerWaalsContact CD1-CZ 3.46Å; Y197-F200 CarbonylContact O-C 3.58Å; Y197-F200 WeakPolarHBondContact O-CA 3.26Å; Y197-F200 WeakPolarHBondContact O-CB 3.22Å; Y197-F200 PolarHBondContact O-N 3.29Å; H198-F200 VanDerWaalsContact C-N 3.26Å; H198-F200 PolarHBondContact O-N 2.61Å; F200-R202 PolarHBondContact O-N 3.03Å; F200-R203 CarbonylContact O-C 3.56Å; F200-R203 PolarHBondContact O-N 3.44Å; F200-C204 VanDerWaalsContact CZ-SG 3.54Å; F200-C204 PolarHBondContact O-N 3.18Å; F200-C204 PolarHBondContact O-SG 2.95Å; F200-I210 HydrophobicContact CD1-CD1 3.62Å; F200-I210 HydrophobicContact CE1-CD1 3.87Å; F200-V239 HydrophobicContact CE1-CG2 3.72Å; F200-V239 HydrophobicContact CZ-CG2 4.25Å; F200-A250 HydrophobicContact CZ-CB 4.31Å; F200-I253 HydrophobicContact CD2-CD1 3.72Å; F200-I253 HydrophobicContact CD2-CG1 4.2Å; F200-I253 HydrophobicContact CE2-CD1 3.78Å; F200-I253 HydrophobicContact CE2-CG1 3.77Å; F200-F257 HydrophobicContact CB-CD2 3.68Å; F200-F257 HydrophobicContact CB-CE2 4.21Å; F200-F257 HydrophobicContact CB-CG 4.23Å; F200-F257 HydrophobicContact CD1-CD1 4.46Å; F200-F257 HydrophobicContact CD1-CD2 4.26Å; F200-F257 HydrophobicContact CD1-CG 4.21Å; F200-F257 HydrophobicContact CD2-CB 3.44Å; F200-F257 VanDerWaalsContact CD2-CB 3.44Å; F200-F257 HydrophobicContact CD2-CD2 4.11Å; F200-F257 AromaticContact CD2-CG 3.78Å; F200-F257 HydrophobicContact CD2-CG 3.78Å; F200-F257 HydrophobicContact CE1-CD1 4.48Å; F200-F257 HydrophobicContact CE2-CB 3.69Å; F200-F257 HydrophobicContact CE2-CG 4.12Å; F200-F257 HydrophobicContact CG-CB 4.01Å; F200-F257 HydrophobicContact CG-CD1 4.49Å; F200-F257 AromaticContact CG-CD2 3.77Å; F200-F257 HydrophobicContact CG-CD2 3.77Å; F200-F257 HydrophobicContact CG-CE2 4.41Å; F200-F257 AromaticContact CG-CG 3.82Å; F200-F257 HydrophobicContact CG-CG 3.82Å; F200-F257 HydrophobicContact CZ-CB 4.47Å |
| 201 | A | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -50.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V6 Y197 H198 R203 C204 G205 L206 V208 I210 | V6-A201 HydrophobicContact CB-CB 4.45Å; V6-A201 HydrophobicContact CG1-CB 3.73Å; V6-A201 HydrophobicContact CG2-CB 3.87Å; Y197-A201 PolarHBondContact O-N 3.01Å; H198-A201 PolarHBondContact O-N 3.39Å; A201-R203 PolarHBondContact O-N 3.44Å; A201-R203 VanDerWaalsContact O-N 3.13Å; A201-C204 PolarHBondContact O-N 3.37Å; A201-G205 PolarHBondContact O-N 2.76Å; A201-L206 HydrophobicContact CB-CD2 4.34Å; A201-V208 HydrophobicContact CB-CG1 3.79Å; A201-I210 HydrophobicContact CB-CD1 3.78Å; A201-I210 HydrophobicContact CB-CG1 4.49Å |
| 202 | R | 94.7 | Very high | 93.1 | Very high | 129 Ų | 129 | 53.2 Ų | 53.2 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -16.5 | 176.4 | -73.6 | -175.1 | 173.1 | -171.2 | 7.2 | 114.3 | E5 H198 F200 L206 | E5-R202 IonicContact OE1-NH2 2.69Å; E5-R202 PolarHBondContact OE1-NH2 3.31Å; E5-R202 IonicContact OE2-CZ 2.78Å; E5-R202 IonicContact OE2-NE 3.32Å; E5-R202 PolarHBondContact OE2-NE 3.19Å; E5-R202 IonicContact OE2-NH2 3.13Å; E5-R202 PolarHBondContact OE2-NH2 3.04Å; H198-R202 PolarHBondContact NE2-NE 2.75Å; H198-R202 PolarHBondContact O-N 3.19Å; F200-R202 PolarHBondContact O-N 3.03Å; R202-L206 HydrophobicContact CG-CD1 4.35Å |
| 203 | R | 95 | Very high | 93.1 | Very high | 194 Ų | 194 | 46.4 Ų | 46.4 | 73% | 0.732 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -95.4 | -34.5 | 174.2 | -69.3 | -70.5 | -176.9 | -123.7 | 1.9 | 112.9 | H199 F200 A201 G205 I253 | H199-R203 WeakPolarHBondContact O-CG 3.45Å; H199-R203 PolarHBondContact O-N 3.32Å; F200-R203 CarbonylContact O-C 3.56Å; F200-R203 PolarHBondContact O-N 3.44Å; A201-R203 PolarHBondContact O-N 3.44Å; A201-R203 VanDerWaalsContact O-N 3.13Å; R203-G205 VanDerWaalsContact C-N 3.25Å; R203-G205 PolarHBondContact O-N 3.3Å; R203-I253 HydrophobicContact CB-CD1 3.61Å |
| 204 | C | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 166.9 | -62 | 0 | 0 | 0 | 0 | 110.3 | F200 A201 T246 R249 A250 | F200-C204 VanDerWaalsContact CZ-SG 3.54Å; F200-C204 PolarHBondContact O-N 3.18Å; F200-C204 PolarHBondContact O-SG 2.95Å; A201-C204 PolarHBondContact O-N 3.37Å; C204-T246 HydrophobicContact CB-CG2 4.03Å; C204-T246 WeakPolarHBondContact O-CA 3.41Å; C204-R249 WeakPolarHBondContact O-CB 3.36Å; C204-R249 WeakPolarHBondContact O-CD 3.44Å; C204-R249 PolarHBondContact O-NE 2.91Å; C204-R249 PolarHBondContact O-NH1 3.3Å; C204-R249 PolarHBondContact O-NH2 3.01Å; C204-A250 HydrophobicContact CB-CB 4.44Å |
| 205 | G | 94.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | trans | 118.6 | 144.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A201 R203 V208 T246 | A201-G205 PolarHBondContact O-N 2.76Å; R203-G205 VanDerWaalsContact C-N 3.25Å; R203-G205 PolarHBondContact O-N 3.3Å; G205-V208 WeakPolarHBondContact O-CB 3.23Å; G205-V208 VanDerWaalsContact O-CG1 3.31Å; G205-V208 WeakPolarHBondContact O-CG1 3.38Å; G205-T246 WeakPolarHBondContact O-CG2 3.38Å | ||
| 206 | L | 92.9 | Very high | 91.5 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -103.2 | 147.6 | 175.3 | -53.1 | -173.3 | 0 | 0 | 0 | 109.6 | E5 A201 R202 V208 | E5-L206 WeakPolarHBondContact O-CD2 3.45Å; A201-L206 HydrophobicContact CB-CD2 4.34Å; R202-L206 HydrophobicContact CG-CD1 4.35Å; L206-V208 HydrophobicContact CD2-CG1 3.8Å |
| 207 | P | 93.6 | Very high | 90.7 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | S | Bend | cis | -78.1 | 144.1 | -1.2 | 31.9 | -34.8 | 0 | 0 | 0 | 113.4 | P9 S241 | P9-P207 VanDerWaalsContact CD-CB 3.44Å; P9-P207 HydrophobicContact CG-CB 4.31Å; P207-S241 PolarHBondContact O-OG 2.69Å |
| 208 | V | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -152.3 | 134.9 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 109.4 | V6 C7 A201 G205 L206 I210 V239 I240 T246 | V6-V208 CarbonylContact C-O 3.57Å; V6-V208 WeakPolarHBondContact CA-O 3.38Å; C7-V208 PolarHBondContact N-O 3.1Å; C7-V208 VanDerWaalsContact N-O 3.1Å; A201-V208 HydrophobicContact CB-CG1 3.79Å; G205-V208 WeakPolarHBondContact O-CB 3.23Å; G205-V208 VanDerWaalsContact O-CG1 3.31Å; G205-V208 WeakPolarHBondContact O-CG1 3.38Å; L206-V208 HydrophobicContact CD2-CG1 3.8Å; V208-I210 HydrophobicContact CG1-CG1 4.36Å; V208-I210 HydrophobicContact CG2-CG1 4.07Å; V208-V239 HydrophobicContact CG2-CG1 3.46Å; V208-V239 VanDerWaalsContact CG2-CG1 3.46Å; V208-I240 WeakPolarHBondContact CA-O 3.28Å; V208-I240 WeakPolarHBondContact CG2-O 3.39Å; V208-T246 HydrophobicContact CB-CG2 3.96Å; V208-T246 HydrophobicContact CG2-CG2 3.83Å | ||
| 209 | L | 95.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.5 | 165.4 | 167.9 | 64 | 0 | 0 | 0 | 108 | I8 I24 N25 T211 I240 | I8-L209 HydrophobicContact CD1-CB 4.14Å; I8-L209 HydrophobicContact CG1-CB 4.05Å; I24-L209 HydrophobicContact CG2-CD2 3.99Å; N25-L209 VanDerWaalsContact C-CD1 3.42Å; N25-L209 WeakPolarHBondContact O-CD1 3.37Å; L209-T211 HydrophobicContact CD2-CG2 4.5Å; L209-T211 HydrophobicContact CG-CG2 4.37Å; L209-I240 HydrophobicContact CB-CB 4.27Å; L209-I240 HydrophobicContact CD2-CD1 4.21Å; L209-I240 PolarHBondContact N-O 3.48Å; L209-I240 PolarHBondContact O-N 3.49Å |
| 210 | I | 95 | Very high | 87.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.1 | 170.3 | -58.6 | -169.4 | 0 | 0 | 0 | 108 | V6 Y197 F200 A201 V208 L237 L238 V239 | V6-I210 HydrophobicContact CG1-CB 3.91Å; V6-I210 HydrophobicContact CG1-CG1 4Å; Y197-I210 HydrophobicContact CD1-CG2 4.37Å; Y197-I210 HydrophobicContact CD2-CB 3.64Å; Y197-I210 HydrophobicContact CD2-CD1 4.39Å; Y197-I210 HydrophobicContact CD2-CG2 3.55Å; Y197-I210 HydrophobicContact CE2-CB 3.64Å; Y197-I210 HydrophobicContact CE2-CG2 3.76Å; Y197-I210 WeakPolarHBondContact CE2-O 3.18Å; Y197-I210 HydrophobicContact CG-CB 4.45Å; Y197-I210 HydrophobicContact CG-CG2 3.86Å; Y197-I210 PolarHBondContact OH-O 3.41Å; Y197-I210 VanDerWaalsContact OH-O 3.13Å; F200-I210 HydrophobicContact CD1-CD1 3.62Å; F200-I210 HydrophobicContact CE1-CD1 3.87Å; A201-I210 HydrophobicContact CB-CD1 3.78Å; A201-I210 HydrophobicContact CB-CG1 4.49Å; V208-I210 HydrophobicContact CG1-CG1 4.36Å; V208-I210 HydrophobicContact CG2-CG1 4.07Å; I210-L237 HydrophobicContact CG2-CD1 3.97Å; I210-L237 HydrophobicContact CG2-CD2 3.63Å; I210-L237 HydrophobicContact CG2-CG 3.71Å; I210-L238 WeakPolarHBondContact CA-O 3.38Å; I210-V239 HydrophobicContact CD1-CG1 4.22Å; I210-V239 HydrophobicContact CD1-CG2 4.25Å; I210-V239 HydrophobicContact CG1-CG1 4.13Å; I210-V239 HydrophobicContact CG1-CG2 4.36Å |
| 211 | T | 92.5 | Very high | 86.3 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 159.3 | -176.6 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | L27 L209 L237 L238 | L27-T211 HydrophobicContact CD2-CG2 3.55Å; L209-T211 HydrophobicContact CD2-CG2 4.5Å; L209-T211 HydrophobicContact CG-CG2 4.37Å; T211-L237 WeakPolarHBondContact O-CD1 3.08Å; T211-L238 PolarHBondContact N-O 3.38Å; T211-L238 VanDerWaalsContact N-O 3.12Å; T211-L238 PolarHBondContact O-N 2.97Å |
| 212 | L | 91 | Very high | 85 | Confident | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.2 | 171.6 | -79.7 | 167.2 | 0 | 0 | 0 | 110 | C191 K192 P214 L237 | C191-L212 HydrophobicContact CB-CD1 4.36Å; C191-L212 HydrophobicContact CB-CD2 3.75Å; C191-L212 HydrophobicContact CB-CG 4.14Å; K192-L212 HydrophobicContact CB-CD1 4.49Å; K192-L212 HydrophobicContact CG-CD1 3.6Å; L212-P214 WeakPolarHBondContact O-CD 3.31Å; L212-L237 HydrophobicContact CD2-CD1 4.27Å; L212-L237 HydrophobicContact CG-CD1 4.36Å |
| 213 | A | 88.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 122.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F217 R236 L238 | A213-F217 HydrophobicContact CB-CB 3.76Å; A213-R236 HydrophobicContact CB-CB 3.86Å; A213-R236 HydrophobicContact CB-CG 4.14Å; A213-R236 WeakPolarHBondContact CB-O 3.47Å; A213-R236 PolarHBondContact N-O 2.89Å; A213-L238 HydrophobicContact CB-CD1 4.2Å; A213-L238 HydrophobicContact CB-CD2 4.28Å; A213-L238 HydrophobicContact CB-CG 3.99Å |
| 214 | P | 85.4 | Confident | 82.4 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 171.4 | 168.2 | 29.7 | -34.5 | 0 | 0 | 0 | 110 | L27 K28 L212 T216 F217 K218 | L27-P214 HydrophobicContact CG-CG 4.4Å; K28-P214 WeakPolarHBondContact O-CG 3.47Å; L212-P214 WeakPolarHBondContact O-CD 3.31Å; P214-T216 PolarHBondContact O-N 3.41Å; P214-F217 HydrophobicContact CG-CD2 4.13Å; P214-F217 WeakPolarHBondContact O-CA 3.32Å; P214-F217 PolarHBondContact O-N 3.13Å; P214-K218 PolarHBondContact O-N 3.5Å |
| 215 | D | 78.3 | Confident | 81 | Confident | 121 Ų | 121 | 55.7 Ų | 55.7 | 65% | 0.647 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -55.8 | -29.8 | -172.2 | -78.4 | 20.5 | 0 | 0 | 0 | 114.4 | F217 K218 | D215-F217 PolarHBondContact O-N 2.91Å; D215-K218 HydrophobicContact CB-CD 4.35Å; D215-K218 PolarHBondContact O-N 3.48Å; D215-K218 WeakPolarHBondContact OD1-CE 3.11Å; D215-K218 IonicContact OD1-NZ 2.7Å; D215-K218 PolarHBondContact OD1-NZ 2.89Å; D215-K218 IonicContact OD2-NZ 2.66Å; D215-K218 PolarHBondContact OD2-NZ 3.17Å |
| 216 | T | 71.5 | Confident | 79.4 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -65.1 | -20.7 | 174 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | K28 P214 | K28-T216 PolarHBondContact O-OG1 3.48Å; P214-T216 PolarHBondContact O-N 3.41Å |
| 217 | F | 76.3 | Confident | 78.4 | Confident | 55 Ų | 55 | 62 Ų | 62 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -114.4 | 8.9 | -179.7 | -78.1 | -85.8 | 0 | 0 | 0 | 113.5 | L30 A213 P214 D215 L238 | L30-F217 HydrophobicContact CD1-CZ 3.79Å; L30-F217 HydrophobicContact CD2-CZ 4.25Å; L30-F217 HydrophobicContact CG-CE2 4.13Å; L30-F217 HydrophobicContact CG-CZ 3.75Å; A213-F217 HydrophobicContact CB-CB 3.76Å; P214-F217 HydrophobicContact CG-CD2 4.13Å; P214-F217 WeakPolarHBondContact O-CA 3.32Å; P214-F217 PolarHBondContact O-N 3.13Å; D215-F217 PolarHBondContact O-N 2.91Å; F217-L238 HydrophobicContact CB-CD1 4.02Å; F217-L238 HydrophobicContact CB-CD2 4.49Å; F217-L238 HydrophobicContact CD1-CD1 4.29Å; F217-L238 HydrophobicContact CD1-CD2 4.45Å; F217-L238 HydrophobicContact CD2-CD1 4.23Å; F217-L238 HydrophobicContact CG-CD1 3.91Å |
| 218 | K | 72.7 | Confident | 77.2 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | trans | -56.4 | 136 | 176.1 | -86.4 | 173 | 173 | 162.1 | 0 | 110.9 | P214 D215 | P214-K218 PolarHBondContact O-N 3.5Å; D215-K218 HydrophobicContact CB-CD 4.35Å; D215-K218 PolarHBondContact O-N 3.48Å; D215-K218 WeakPolarHBondContact OD1-CE 3.11Å; D215-K218 IonicContact OD1-NZ 2.7Å; D215-K218 PolarHBondContact OD1-NZ 2.89Å; D215-K218 IonicContact OD2-NZ 2.66Å; D215-K218 PolarHBondContact OD2-NZ 3.17Å | ||
| 219 | P | 69.6 | Low | 75.6 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | trans | -66.3 | 144.5 | 178.6 | 25.1 | -31.3 | 0 | 0 | 0 | 111.6 | S221 L233 R236 | P219-S221 PolarHBondContact O-N 3.07Å; P219-L233 HydrophobicContact CB-CD2 3.64Å; P219-L233 HydrophobicContact CB-CG 4.25Å; P219-L233 HydrophobicContact CG-CB 4.13Å; P219-L233 HydrophobicContact CG-CD2 3.54Å; P219-L233 HydrophobicContact CG-CG 3.65Å; P219-L233 WeakPolarHBondContact CG-O 3.41Å; P219-R236 HydrophobicContact CG-CB 4.42Å | ||
| 220 | V | 69.7 | Low | 74.2 | Confident | 134 Ų | 134 | 74 Ų | 74 | 81% | 0.812 | 43% | 0.432 | S | S | * | . | trans | -68.9 | 114.6 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 221 | S | 69.3 | Low | 72.8 | Confident | 47 Ų | 47 | 78.2 Ų | 78.2 | 33% | 0.329 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -101.1 | 149.5 | 172.1 | -79.4 | 0 | 0 | 0 | 0 | 111 | P219 L233 | P219-S221 PolarHBondContact O-N 3.07Å; S221-L233 PolarHBondContact OG-N 2.92Å; S221-L233 PolarHBondContact OG-O 3.49Å |
| 222 | P | 68.4 | Low | 71.6 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 47% | 0.468 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | cis | -78.6 | 148 | -0.6 | 32 | -35 | 0 | 0 | 0 | 113 | T230 | P222-T230 HydrophobicContact CB-CG2 3.98Å; P222-T230 HydrophobicContact CG-CG2 4.15Å |
| 223 | V | 67.5 | Low | 70.9 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.6 | 167.3 | -176 | 0 | 0 | 0 | 0 | 108.3 | T230 Y231 L233 | V223-T230 WeakPolarHBondContact O-CA 3.5Å; V223-Y231 HydrophobicContact CB-CD1 4.12Å; V223-Y231 HydrophobicContact CB-CE1 3.69Å; V223-Y231 HydrophobicContact CB-CE2 4.24Å; V223-Y231 HydrophobicContact CG1-CD1 4.45Å; V223-Y231 HydrophobicContact CG1-CE1 3.61Å; V223-Y231 PolarHBondContact N-O 3.25Å; V223-Y231 WeakPolarHBondContact O-CD1 3.27Å; V223-Y231 PolarHBondContact O-N 3.47Å; V223-L233 HydrophobicContact CG2-CB 4Å; V223-L233 HydrophobicContact CG2-CD2 4.31Å |
| 224 | I | 67.6 | Low | 70.3 | Confident | 125 Ų | 125 | 85.5 Ų | 85.5 | 64% | 0.641 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.5 | 178.9 | -60.2 | 163.6 | 0 | 0 | 0 | 108.7 | T230 | I224-T230 HydrophobicContact CG1-CG2 3.87Å |
| 225 | K | 65.4 | Low | 70.3 | Confident | 93 Ų | 93 | 85.7 Ų | 85.7 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 160.1 | 165.2 | -62.9 | -174.7 | -167.4 | 161.7 | 0 | 110.4 | D227 S228 E229 Y231 | K225-D227 PolarHBondContact O-N 2.92Å; K225-S228 PolarHBondContact O-N 3.5Å; K225-S228 VanDerWaalsContact O-N 3.15Å; K225-E229 HydrophobicContact CB-CB 4.33Å; K225-E229 HydrophobicContact CD-CB 4.21Å; K225-E229 PolarHBondContact N-O 3.02Å; K225-E229 IonicContact NZ-OE2 3.66Å; K225-E229 PolarHBondContact NZ-OE2 3.31Å; K225-Y231 HydrophobicContact CG-CD1 4.01Å; K225-Y231 HydrophobicContact CG-CE1 3.83Å |
| 226 | G | 62.2 | Low | 70.8 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 87% | 0.866 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S228 | G226-S228 VanDerWaalsContact C-N 3.28Å; G226-S228 PolarHBondContact O-N 2.93Å |
| 227 | D | 71.2 | Confident | 71.9 | Confident | 138 Ų | 138 | 78 Ų | 78 | 74% | 0.738 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 19.4 | -177.2 | -49 | -50.3 | 0 | 0 | 0 | 113.5 | K225 E229 | K225-D227 PolarHBondContact O-N 2.92Å; D227-E229 PolarHBondContact O-N 3.02Å; D227-E229 VanDerWaalsContact O-N 3.14Å |
| 228 | S | 67.4 | Low | 72.8 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 65.5 | -1.3 | -173.7 | -49.9 | 0 | 0 | 0 | 0 | 116.4 | K225 G226 T230 | K225-S228 PolarHBondContact O-N 3.5Å; K225-S228 VanDerWaalsContact O-N 3.15Å; G226-S228 VanDerWaalsContact C-N 3.28Å; G226-S228 PolarHBondContact O-N 2.93Å; S228-T230 PolarHBondContact O-N 2.97Å |
| 229 | E | 61.8 | Low | 73.9 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | trans | -63.8 | 119.8 | 169.4 | -69.3 | -167.7 | 158.5 | 0 | 0 | 111.1 | K225 D227 | K225-E229 HydrophobicContact CB-CB 4.33Å; K225-E229 HydrophobicContact CD-CB 4.21Å; K225-E229 PolarHBondContact N-O 3.02Å; K225-E229 IonicContact NZ-OE2 3.66Å; K225-E229 PolarHBondContact NZ-OE2 3.31Å; D227-E229 PolarHBondContact O-N 3.02Å; D227-E229 VanDerWaalsContact O-N 3.14Å | ||
| 230 | T | 66.5 | Low | 75.1 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 58% | 0.577 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.1 | 167.7 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | P222 V223 I224 S228 | P222-T230 HydrophobicContact CB-CG2 3.98Å; P222-T230 HydrophobicContact CG-CG2 4.15Å; V223-T230 WeakPolarHBondContact O-CA 3.5Å; I224-T230 HydrophobicContact CG1-CG2 3.87Å; S228-T230 PolarHBondContact O-N 2.97Å |
| 231 | Y | 65.8 | Low | 76.4 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145 | 167 | 68.7 | -77.7 | 0 | 0 | 0 | 110.8 | V223 K225 L233 | V223-Y231 HydrophobicContact CB-CD1 4.12Å; V223-Y231 HydrophobicContact CB-CE1 3.69Å; V223-Y231 HydrophobicContact CB-CE2 4.24Å; V223-Y231 HydrophobicContact CG1-CD1 4.45Å; V223-Y231 HydrophobicContact CG1-CE1 3.61Å; V223-Y231 PolarHBondContact N-O 3.25Å; V223-Y231 WeakPolarHBondContact O-CD1 3.27Å; V223-Y231 PolarHBondContact O-N 3.47Å; K225-Y231 HydrophobicContact CG-CD1 4.01Å; K225-Y231 HydrophobicContact CG-CE1 3.83Å; Y231-L233 HydrophobicContact CD2-CB 4.45Å; Y231-L233 HydrophobicContact CE2-CB 4.2Å; Y231-L233 HydrophobicContact CE2-CD1 4.29Å |
| 232 | N | 67.7 | Low | 77.6 | Confident | 106 Ų | 106 | 63 Ų | 63 | 57% | 0.567 | 35% | 0.351 | S | S | * | . | trans | -84.6 | 125.2 | 171 | -68.4 | -65 | 0 | 0 | 0 | 108.1 | ||||
| 233 | L | 75.3 | Confident | 78.9 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | trans | -107.2 | 115.2 | 174 | -178.2 | 71.1 | 0 | 0 | 0 | 107.1 | D182 I183 P219 S221 V223 Y231 | D182-L233 HydrophobicContact CB-CD1 4.36Å; D182-L233 HydrophobicContact CB-CD2 3.44Å; D182-L233 VanDerWaalsContact CB-CD2 3.44Å; D182-L233 WeakPolarHBondContact OD1-CD2 3.36Å; I183-L233 WeakPolarHBondContact O-CD1 3.34Å; P219-L233 HydrophobicContact CB-CD2 3.64Å; P219-L233 HydrophobicContact CB-CG 4.25Å; P219-L233 HydrophobicContact CG-CB 4.13Å; P219-L233 HydrophobicContact CG-CD2 3.54Å; P219-L233 HydrophobicContact CG-CG 3.65Å; P219-L233 WeakPolarHBondContact CG-O 3.41Å; S221-L233 PolarHBondContact OG-N 2.92Å; S221-L233 PolarHBondContact OG-O 3.49Å; V223-L233 HydrophobicContact CG2-CB 4Å; V223-L233 HydrophobicContact CG2-CD2 4.31Å; Y231-L233 HydrophobicContact CD2-CB 4.45Å; Y231-L233 HydrophobicContact CE2-CB 4.2Å; Y231-L233 HydrophobicContact CE2-CD1 4.29Å | ||
| 234 | K | 76.1 | Confident | 80.2 | Confident | 135 Ų | 135 | 64.2 Ų | 64.2 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | trans | -95.6 | -16.2 | -178.9 | -58.6 | -173.2 | -172.4 | 81.9 | 0 | 113.4 | D185 | D185-K234 VanDerWaalsContact OD1-CB 3.31Å; D185-K234 WeakPolarHBondContact OD1-CB 3.38Å; D185-K234 PolarHBondContact OD1-N 2.94Å; D185-K234 WeakPolarHBondContact OD2-CD 3.11Å; D185-K234 WeakPolarHBondContact OD2-CG 3.23Å; D185-K234 IonicContact OD2-NZ 3.89Å; D185-K234 PolarHBondContact OD2-NZ 3.29Å | ||
| 235 | S | 85.1 | Confident | 81.6 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 148.9 | -169 | -66 | 0 | 0 | 0 | 0 | 112.9 | I183 A188 | I183-S235 PolarHBondContact N-O 3.34Å; I183-S235 VanDerWaalsContact N-O 3.14Å; A188-S235 VanDerWaalsContact CB-OG 3.3Å; A188-S235 WeakPolarHBondContact CB-OG 3.44Å |
| 236 | R | 90.7 | Very high | 83.1 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 141.7 | 179.1 | 169.2 | 174.5 | -78.5 | 175.8 | -7.2 | 107.9 | A180 I181 D182 A213 P219 L238 | A180-R236 HydrophobicContact CB-CG 4.34Å; I181-R236 CarbonylContact O-C 3.55Å; I181-R236 VanDerWaalsContact O-CA 3.3Å; I181-R236 WeakPolarHBondContact O-CA 3.46Å; D182-R236 IonicContact OD1-CZ 3.38Å; D182-R236 IonicContact OD1-NE 3.64Å; D182-R236 PolarHBondContact OD1-NE 2.97Å; D182-R236 IonicContact OD1-NH2 3.2Å; D182-R236 PolarHBondContact OD1-NH2 2.67Å; D182-R236 IonicContact OD2-NH2 2.74Å; D182-R236 PolarHBondContact OD2-NH2 2.91Å; A213-R236 HydrophobicContact CB-CB 3.86Å; A213-R236 HydrophobicContact CB-CG 4.14Å; A213-R236 WeakPolarHBondContact CB-O 3.47Å; A213-R236 PolarHBondContact N-O 2.89Å; P219-R236 HydrophobicContact CG-CB 4.42Å; R236-L238 HydrophobicContact CG-CD2 4.11Å |
| 237 | L | 93.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.8 | 174.3 | -164 | 73.5 | 0 | 0 | 0 | 108 | I181 I183 C191 I210 T211 L212 F257 | I181-L237 HydrophobicContact CB-CB 4.36Å; I181-L237 PolarHBondContact N-O 2.61Å; I181-L237 PolarHBondContact O-N 2.99Å; I183-L237 HydrophobicContact CD1-CB 3.94Å; I183-L237 HydrophobicContact CG1-CB 3.74Å; C191-L237 HydrophobicContact CB-CD1 4.16Å; I210-L237 HydrophobicContact CG2-CD1 3.97Å; I210-L237 HydrophobicContact CG2-CD2 3.63Å; I210-L237 HydrophobicContact CG2-CG 3.71Å; T211-L237 WeakPolarHBondContact O-CD1 3.08Å; L212-L237 HydrophobicContact CD2-CD1 4.27Å; L212-L237 HydrophobicContact CG-CD1 4.36Å; L237-F257 HydrophobicContact CD2-CE1 3.64Å; L237-F257 HydrophobicContact CD2-CZ 3.82Å |
| 238 | L | 94.6 | Very high | 86 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.9 | 176.1 | -57.2 | -178.7 | 0 | 0 | 0 | 108.8 | L27 I178 A180 I210 T211 A213 F217 R236 I240 | L27-L238 HydrophobicContact CD2-CD1 4.47Å; I178-L238 HydrophobicContact CG2-CB 4.44Å; I178-L238 HydrophobicContact CG2-CD2 4.16Å; A180-L238 HydrophobicContact CB-CD2 4.4Å; I210-L238 WeakPolarHBondContact CA-O 3.38Å; T211-L238 PolarHBondContact N-O 3.38Å; T211-L238 VanDerWaalsContact N-O 3.12Å; T211-L238 PolarHBondContact O-N 2.97Å; A213-L238 HydrophobicContact CB-CD1 4.2Å; A213-L238 HydrophobicContact CB-CD2 4.28Å; A213-L238 HydrophobicContact CB-CG 3.99Å; F217-L238 HydrophobicContact CB-CD1 4.02Å; F217-L238 HydrophobicContact CB-CD2 4.49Å; F217-L238 HydrophobicContact CD1-CD1 4.29Å; F217-L238 HydrophobicContact CD1-CD2 4.45Å; F217-L238 HydrophobicContact CD2-CD1 4.23Å; F217-L238 HydrophobicContact CG-CD1 3.91Å; R236-L238 HydrophobicContact CG-CD2 4.11Å; L238-I240 HydrophobicContact CB-CD1 4.12Å; L238-I240 HydrophobicContact CB-CG1 4.08Å; L238-I240 HydrophobicContact CD1-CD1 4.45Å |
| 239 | V | 96.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117 | 168.4 | -173.5 | 0 | 0 | 0 | 0 | 106.7 | I178 H179 I181 F200 V208 I210 I247 A250 | I178-V239 CarbonylContact C-O 3.59Å; I178-V239 VanDerWaalsContact CA-O 3.31Å; I178-V239 WeakPolarHBondContact CA-O 3.4Å; H179-V239 HydrophobicContact CB-CB 4.18Å; H179-V239 PolarHBondContact N-O 2.94Å; H179-V239 PolarHBondContact O-N 3.25Å; I181-V239 HydrophobicContact CD1-CG2 3.8Å; I181-V239 HydrophobicContact CG1-CG2 4.43Å; F200-V239 HydrophobicContact CE1-CG2 3.72Å; F200-V239 HydrophobicContact CZ-CG2 4.25Å; V208-V239 HydrophobicContact CG2-CG1 3.46Å; V208-V239 VanDerWaalsContact CG2-CG1 3.46Å; I210-V239 HydrophobicContact CD1-CG1 4.22Å; I210-V239 HydrophobicContact CD1-CG2 4.25Å; I210-V239 HydrophobicContact CG1-CG1 4.13Å; I210-V239 HydrophobicContact CG1-CG2 4.36Å; V239-I247 HydrophobicContact CB-CD1 4.46Å; V239-I247 HydrophobicContact CG1-CD1 4.13Å; V239-I247 VanDerWaalsContact O-CD1 3.23Å; V239-I247 WeakPolarHBondContact O-CD1 3.42Å; V239-A250 HydrophobicContact CB-CB 4.26Å; V239-A250 HydrophobicContact CG1-CB 3.94Å; V239-A250 HydrophobicContact CG2-CB 4.28Å |
| 240 | I | 96.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.3 | -170.7 | -54.5 | 176.3 | 0 | 0 | 0 | 108.9 | I8 L27 F176 H177 I178 V208 L209 L238 | I8-I240 HydrophobicContact CD1-CG2 4.23Å; L27-I240 HydrophobicContact CD1-CD1 3.82Å; L27-I240 HydrophobicContact CD2-CD1 3.84Å; F176-I240 HydrophobicContact CB-CG2 4.13Å; F176-I240 HydrophobicContact CD1-CG2 4.01Å; F176-I240 HydrophobicContact CG-CG2 4.41Å; H177-I240 WeakPolarHBondContact O-CA 3.5Å; I178-I240 HydrophobicContact CG1-CG1 4.32Å; I178-I240 HydrophobicContact CG2-CG1 4.24Å; V208-I240 WeakPolarHBondContact CA-O 3.28Å; V208-I240 WeakPolarHBondContact CG2-O 3.39Å; L209-I240 HydrophobicContact CB-CB 4.27Å; L209-I240 HydrophobicContact CD2-CD1 4.21Å; L209-I240 PolarHBondContact N-O 3.48Å; L209-I240 PolarHBondContact O-N 3.49Å; L238-I240 HydrophobicContact CB-CD1 4.12Å; L238-I240 HydrophobicContact CB-CG1 4.08Å; L238-I240 HydrophobicContact CD1-CD1 4.45Å |
| 241 | S | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.2 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | H177 P207 D243 | H177-S241 PolarHBondContact N-O 2.76Å; H177-S241 PolarHBondContact O-N 3.41Å; P207-S241 PolarHBondContact O-OG 2.69Å; S241-D243 PolarHBondContact OG-N 2.92Å |
| 242 | T | 94.5 | Very high | 92.1 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 23% | 0.233 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -82.5 | 2.4 | 169.5 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | I8 L58 F176 | I8-T242 HydrophobicContact CG2-CG2 4.4Å; L58-T242 HydrophobicContact CD1-CG2 4.45Å; L58-T242 HydrophobicContact CD2-CG2 4.3Å; F176-T242 HydrophobicContact CD1-CG2 3.99Å; F176-T242 HydrophobicContact CE1-CG2 3.94Å |
| 243 | D | 94.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 22% | 0.223 | S | C | . | . | trans | -114.6 | 119.7 | 173.7 | 176.1 | 22 | 0 | 0 | 0 | 111.4 | S241 S245 T246 R249 | S241-D243 PolarHBondContact OG-N 2.92Å; D243-S245 PolarHBondContact O-N 3.25Å; D243-S245 WeakPolarHBondContact OD1-CB 3.34Å; D243-S245 PolarHBondContact OD1-N 2.97Å; D243-S245 PolarHBondContact OD1-OG 3.34Å; D243-S245 WeakPolarHBondContact OD2-CB 3.46Å; D243-S245 PolarHBondContact OD2-OG 3.02Å; D243-T246 WeakPolarHBondContact O-CB 3.29Å; D243-T246 PolarHBondContact O-N 3.41Å; D243-T246 VanDerWaalsContact O-N 3.16Å; D243-T246 PolarHBondContact OD2-OG1 3.49Å; D243-R249 IonicContact OD2-NH2 2.89Å | ||
| 244 | V | 95.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.9 | -33.4 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | H177 T246 I247 N248 | H177-V244 VanDerWaalsContact CD2-CG2 3.4Å; H177-V244 WeakPolarHBondContact CD2-CG2 3.49Å; H177-V244 VanDerWaalsContact NE2-CG2 3.35Å; H177-V244 WeakPolarHBondContact NE2-CG2 3.38Å; V244-T246 VanDerWaalsContact C-N 3.26Å; V244-T246 PolarHBondContact O-N 2.86Å; V244-I247 PolarHBondContact O-N 3.48Å; V244-N248 PolarHBondContact O-N 3.36Å |
| 245 | S | 96.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.6 | -29 | -179 | 99.1 | 0 | 0 | 0 | 0 | 112.7 | D243 R249 | D243-S245 PolarHBondContact O-N 3.25Å; D243-S245 WeakPolarHBondContact OD1-CB 3.34Å; D243-S245 PolarHBondContact OD1-N 2.97Å; D243-S245 PolarHBondContact OD1-OG 3.34Å; D243-S245 WeakPolarHBondContact OD2-CB 3.46Å; D243-S245 PolarHBondContact OD2-OG 3.02Å; S245-R249 WeakPolarHBondContact O-CB 3.42Å; S245-R249 VanDerWaalsContact O-CG 3.3Å; S245-R249 WeakPolarHBondContact O-CG 3.5Å; S245-R249 PolarHBondContact O-N 3.37Å; S245-R249 VanDerWaalsContact O-N 3.11Å; S245-R249 PolarHBondContact O-NE 2.92Å; S245-R249 PolarHBondContact OG-NH2 2.95Å |
| 246 | T | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.6 | -39.6 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | C204 G205 V208 D243 V244 R249 A250 | C204-T246 HydrophobicContact CB-CG2 4.03Å; C204-T246 WeakPolarHBondContact O-CA 3.41Å; G205-T246 WeakPolarHBondContact O-CG2 3.38Å; V208-T246 HydrophobicContact CB-CG2 3.96Å; V208-T246 HydrophobicContact CG2-CG2 3.83Å; D243-T246 WeakPolarHBondContact O-CB 3.29Å; D243-T246 PolarHBondContact O-N 3.41Å; D243-T246 VanDerWaalsContact O-N 3.16Å; D243-T246 PolarHBondContact OD2-OG1 3.49Å; V244-T246 VanDerWaalsContact C-N 3.26Å; V244-T246 PolarHBondContact O-N 2.86Å; T246-R249 PolarHBondContact O-N 2.67Å; T246-R249 PolarHBondContact OG1-NH2 3.49Å; T246-A250 PolarHBondContact O-N 3.01Å |
| 247 | I | 97.1 | Very high | 96 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.9 | -45.2 | 177.1 | -62.5 | -45.9 | 0 | 0 | 0 | 111.5 | H177 H179 V239 V244 R249 A250 S251 | H177-I247 HydrophobicContact CB-CB 4.38Å; H177-I247 HydrophobicContact CB-CG1 3.6Å; H177-I247 WeakPolarHBondContact O-CD1 3.39Å; H179-I247 HydrophobicContact CB-CG2 4.06Å; V239-I247 HydrophobicContact CB-CD1 4.46Å; V239-I247 HydrophobicContact CG1-CD1 4.13Å; V239-I247 VanDerWaalsContact O-CD1 3.23Å; V239-I247 WeakPolarHBondContact O-CD1 3.42Å; V244-I247 PolarHBondContact O-N 3.48Å; I247-R249 PolarHBondContact O-N 3.02Å; I247-A250 WeakPolarHBondContact O-CB 3.32Å; I247-A250 PolarHBondContact O-N 2.94Å; I247-A250 VanDerWaalsContact O-N 3.08Å; I247-S251 PolarHBondContact O-N 3.12Å; I247-S251 PolarHBondContact O-OG 3.02Å |
| 248 | N | 97.5 | Very high | 96 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61 | -32.3 | 174 | -70.1 | -9.1 | 0 | 0 | 0 | 112.5 | V244 S251 V252 | V244-N248 PolarHBondContact O-N 3.36Å; N248-S251 PolarHBondContact O-OG 3.09Å; N248-S251 VanDerWaalsContact O-OG 3.04Å; N248-V252 WeakPolarHBondContact O-CG2 3.49Å |
| 249 | R | 97.8 | Very high | 96 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 171.7 | -80.5 | 176.2 | -79.5 | 161.9 | -0.7 | 111.2 | C204 D243 S245 T246 I247 S251 V252 I253 | C204-R249 WeakPolarHBondContact O-CB 3.36Å; C204-R249 WeakPolarHBondContact O-CD 3.44Å; C204-R249 PolarHBondContact O-NE 2.91Å; C204-R249 PolarHBondContact O-NH1 3.3Å; C204-R249 PolarHBondContact O-NH2 3.01Å; D243-R249 IonicContact OD2-NH2 2.89Å; S245-R249 WeakPolarHBondContact O-CB 3.42Å; S245-R249 VanDerWaalsContact O-CG 3.3Å; S245-R249 WeakPolarHBondContact O-CG 3.5Å; S245-R249 PolarHBondContact O-N 3.37Å; S245-R249 VanDerWaalsContact O-N 3.11Å; S245-R249 PolarHBondContact O-NE 2.92Å; S245-R249 PolarHBondContact OG-NH2 2.95Å; T246-R249 PolarHBondContact O-N 2.67Å; T246-R249 PolarHBondContact OG1-NH2 3.49Å; I247-R249 PolarHBondContact O-N 3.02Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S251 PolarHBondContact O-N 3.27Å; R249-V252 PolarHBondContact O-N 2.74Å; R249-I253 WeakPolarHBondContact O-CG1 3.38Å; R249-I253 PolarHBondContact O-N 3.21Å |
| 250 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.1 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H179 F200 C204 V239 T246 I247 V252 I253 D254 | H179-A250 HydrophobicContact CB-CB 4.13Å; F200-A250 HydrophobicContact CZ-CB 4.31Å; C204-A250 HydrophobicContact CB-CB 4.44Å; V239-A250 HydrophobicContact CB-CB 4.26Å; V239-A250 HydrophobicContact CG1-CB 3.94Å; V239-A250 HydrophobicContact CG2-CB 4.28Å; T246-A250 PolarHBondContact O-N 3.01Å; I247-A250 WeakPolarHBondContact O-CB 3.32Å; I247-A250 PolarHBondContact O-N 2.94Å; I247-A250 VanDerWaalsContact O-N 3.08Å; A250-V252 PolarHBondContact O-N 2.87Å; A250-V252 VanDerWaalsContact O-N 3.13Å; A250-I253 PolarHBondContact O-N 3.44Å; A250-D254 WeakPolarHBondContact O-CB 3.33Å; A250-D254 PolarHBondContact O-N 3.19Å |
| 251 | S | 96.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.4 | -0.5 | 177.8 | 60.5 | 0 | 0 | 0 | 0 | 115.7 | I247 N248 R249 | I247-S251 PolarHBondContact O-N 3.12Å; I247-S251 PolarHBondContact O-OG 3.02Å; N248-S251 PolarHBondContact O-OG 3.09Å; N248-S251 VanDerWaalsContact O-OG 3.04Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S251 PolarHBondContact O-N 3.27Å |
| 252 | V | 96.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 56.4 Ų | 56.4 | 68% | 0.679 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -103.5 | -20.7 | 174 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | N248 R249 A250 | N248-V252 WeakPolarHBondContact O-CG2 3.49Å; R249-V252 PolarHBondContact O-N 2.74Å; A250-V252 PolarHBondContact O-N 2.87Å; A250-V252 VanDerWaalsContact O-N 3.13Å |
| 253 | I | 96.1 | Very high | 96 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -125.3 | 7.3 | -175.3 | 55.2 | 154.9 | 0 | 0 | 0 | 114.3 | F200 R203 R249 A250 T256 F257 | F200-I253 HydrophobicContact CD2-CD1 3.72Å; F200-I253 HydrophobicContact CD2-CG1 4.2Å; F200-I253 HydrophobicContact CE2-CD1 3.78Å; F200-I253 HydrophobicContact CE2-CG1 3.77Å; R203-I253 HydrophobicContact CB-CD1 3.61Å; R249-I253 WeakPolarHBondContact O-CG1 3.38Å; R249-I253 PolarHBondContact O-N 3.21Å; A250-I253 PolarHBondContact O-N 3.44Å; I253-T256 PolarHBondContact O-N 2.95Å; I253-F257 WeakPolarHBondContact O-CB 3.42Å; I253-F257 PolarHBondContact O-N 3.18Å |
| 254 | D | 95.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 178.8 | 54.2 | -0.6 | 0 | 0 | 0 | 113.2 | H179 I181 A250 T256 F257 V258 | H179-D254 IonicContact CD2-OD2 2.77Å; H179-D254 IonicContact CE1-OD2 2.87Å; H179-D254 IonicContact NE2-OD2 3.78Å; H179-D254 PolarHBondContact NE2-OD2 2.9Å; I181-D254 HydrophobicContact CD1-CB 3.78Å; I181-D254 HydrophobicContact CG1-CB 3.87Å; I181-D254 HydrophobicContact CG2-CB 4.17Å; A250-D254 WeakPolarHBondContact O-CB 3.33Å; A250-D254 PolarHBondContact O-N 3.19Å; D254-T256 VanDerWaalsContact C-N 3.35Å; D254-T256 PolarHBondContact O-N 2.94Å; D254-F257 WeakPolarHBondContact O-CB 3.41Å; D254-F257 PolarHBondContact O-N 3.18Å; D254-F257 VanDerWaalsContact O-N 3.12Å; D254-V258 WeakPolarHBondContact O-CG2 3.47Å; D254-V258 PolarHBondContact O-N 2.83Å |
| 255 | N | 93.7 | Very high | 95.9 | Very high | 117 Ų | 117 | 58.5 Ų | 58.5 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.8 | -45.5 | 176.6 | -73 | -92.9 | 0 | 0 | 0 | 110.4 | F257 V258 D259 | N255-F257 VanDerWaalsContact C-N 3.26Å; N255-F257 PolarHBondContact O-N 3.25Å; N255-V258 PolarHBondContact O-N 3.04Å; N255-V258 VanDerWaalsContact O-N 3.15Å; N255-D259 PolarHBondContact O-N 3.27Å |
| 256 | T | 95.3 | Very high | 95.8 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61 | -33.6 | 174.9 | -48.1 | 0 | 0 | 0 | 0 | 112.6 | I253 D254 M260 | I253-T256 PolarHBondContact O-N 2.95Å; D254-T256 VanDerWaalsContact C-N 3.35Å; D254-T256 PolarHBondContact O-N 2.94Å; T256-M260 WeakPolarHBondContact O-CB 3.46Å; T256-M260 PolarHBondContact O-N 3.03Å |
| 257 | F | 95.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.6 | -43.1 | 173.4 | 159.9 | -103.4 | 0 | 0 | 0 | 112.3 | I181 I183 F200 L237 I253 D254 N255 M260 L261 | I181-F257 HydrophobicContact CD1-CD1 4.45Å; I183-F257 HydrophobicContact CD1-CE1 4.25Å; F200-F257 HydrophobicContact CB-CD2 3.68Å; F200-F257 HydrophobicContact CB-CE2 4.21Å; F200-F257 HydrophobicContact CB-CG 4.23Å; F200-F257 HydrophobicContact CD1-CD1 4.46Å; F200-F257 HydrophobicContact CD1-CD2 4.26Å; F200-F257 HydrophobicContact CD1-CG 4.21Å; F200-F257 HydrophobicContact CD2-CB 3.44Å; F200-F257 VanDerWaalsContact CD2-CB 3.44Å; F200-F257 HydrophobicContact CD2-CD2 4.11Å; F200-F257 AromaticContact CD2-CG 3.78Å; F200-F257 HydrophobicContact CD2-CG 3.78Å; F200-F257 HydrophobicContact CE1-CD1 4.48Å; F200-F257 HydrophobicContact CE2-CB 3.69Å; F200-F257 HydrophobicContact CE2-CG 4.12Å; F200-F257 HydrophobicContact CG-CB 4.01Å; F200-F257 HydrophobicContact CG-CD1 4.49Å; F200-F257 AromaticContact CG-CD2 3.77Å; F200-F257 HydrophobicContact CG-CD2 3.77Å; F200-F257 HydrophobicContact CG-CE2 4.41Å; F200-F257 AromaticContact CG-CG 3.82Å; F200-F257 HydrophobicContact CG-CG 3.82Å; F200-F257 HydrophobicContact CZ-CB 4.47Å; L237-F257 HydrophobicContact CD2-CE1 3.64Å; L237-F257 HydrophobicContact CD2-CZ 3.82Å; I253-F257 WeakPolarHBondContact O-CB 3.42Å; I253-F257 PolarHBondContact O-N 3.18Å; D254-F257 WeakPolarHBondContact O-CB 3.41Å; D254-F257 PolarHBondContact O-N 3.18Å; D254-F257 VanDerWaalsContact O-N 3.12Å; N255-F257 VanDerWaalsContact C-N 3.26Å; N255-F257 PolarHBondContact O-N 3.25Å; F257-M260 HydrophobicContact CD2-CE 3.67Å; F257-M260 HydrophobicContact CE2-CE 4.09Å; F257-M260 PolarHBondContact O-N 2.71Å; F257-L261 HydrophobicContact CZ-CD2 4.08Å; F257-L261 VanDerWaalsContact O-CB 3.3Å; F257-L261 WeakPolarHBondContact O-CB 3.38Å; F257-L261 PolarHBondContact O-N 2.78Å |
| 258 | V | 94.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | I181 I183 P184 L187 D254 N255 L261 R262 | I181-V258 HydrophobicContact CG2-CG2 3.91Å; I183-V258 HydrophobicContact CD1-CG2 4.22Å; P184-V258 HydrophobicContact CG-CG1 4.44Å; L187-V258 HydrophobicContact CD1-CG1 3.95Å; D254-V258 WeakPolarHBondContact O-CG2 3.47Å; D254-V258 PolarHBondContact O-N 2.83Å; N255-V258 PolarHBondContact O-N 3.04Å; N255-V258 VanDerWaalsContact O-N 3.15Å; V258-L261 PolarHBondContact O-N 2.7Å; V258-R262 WeakPolarHBondContact O-CB 2.91Å; V258-R262 PolarHBondContact O-N 2.93Å |
| 259 | D | 94.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.1 | -74.5 | -29.2 | 0 | 0 | 0 | 112.6 | N255 L261 R262 Q263 | N255-D259 PolarHBondContact O-N 3.27Å; D259-L261 VanDerWaalsContact C-N 3.33Å; D259-L261 PolarHBondContact O-N 2.84Å; D259-R262 WeakPolarHBondContact O-CB 3.33Å; D259-R262 PolarHBondContact O-N 2.73Å; D259-Q263 WeakPolarHBondContact O-CB 3.33Å; D259-Q263 PolarHBondContact O-N 3.44Å |
| 260 | M | 95.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.4 | 178.4 | -75.9 | -54 | 0 | 0 | 111.4 | T256 F257 Q263 K264 | T256-M260 WeakPolarHBondContact O-CB 3.46Å; T256-M260 PolarHBondContact O-N 3.03Å; F257-M260 HydrophobicContact CD2-CE 3.67Å; F257-M260 HydrophobicContact CE2-CE 4.09Å; F257-M260 PolarHBondContact O-N 2.71Å; M260-Q263 PolarHBondContact O-N 3.16Å; M260-K264 WeakPolarHBondContact O-CB 3.33Å; M260-K264 PolarHBondContact O-N 2.55Å |
| 261 | L | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 177.6 | -174.2 | 59.9 | 0 | 0 | 0 | 110.9 | L187 N196 F257 V258 D259 Q263 K264 V265 | L187-L261 HydrophobicContact CB-CD2 4.04Å; L187-L261 HydrophobicContact CB-CG 4.47Å; L187-L261 HydrophobicContact CD1-CD2 4.46Å; N196-L261 HydrophobicContact CB-CD1 4.22Å; F257-L261 HydrophobicContact CZ-CD2 4.08Å; F257-L261 VanDerWaalsContact O-CB 3.3Å; F257-L261 WeakPolarHBondContact O-CB 3.38Å; F257-L261 PolarHBondContact O-N 2.78Å; V258-L261 PolarHBondContact O-N 2.7Å; D259-L261 VanDerWaalsContact C-N 3.33Å; D259-L261 PolarHBondContact O-N 2.84Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-Q263 PolarHBondContact O-N 3.18Å; L261-K264 WeakPolarHBondContact O-CB 3.1Å; L261-K264 PolarHBondContact O-N 3.31Å; L261-V265 WeakPolarHBondContact O-CG2 3.38Å; L261-V265 PolarHBondContact O-N 3.31Å |
| 262 | R | 95.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 72.9 Ų | 72.9 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 173.1 | -179.1 | 178.8 | -61.7 | -67.7 | -5.4 | 112.2 | E186 L187 V258 D259 V265 S266 | E186-R262 IonicContact OE1-CZ 2.72Å; E186-R262 IonicContact OE1-NH1 2.76Å; E186-R262 PolarHBondContact OE1-NH1 3.13Å; E186-R262 IonicContact OE1-NH2 2.61Å; E186-R262 PolarHBondContact OE1-NH2 2.98Å; L187-R262 HydrophobicContact CD1-CB 4.25Å; L187-R262 HydrophobicContact CD2-CB 4.29Å; V258-R262 WeakPolarHBondContact O-CB 2.91Å; V258-R262 PolarHBondContact O-N 2.93Å; D259-R262 WeakPolarHBondContact O-CB 3.33Å; D259-R262 PolarHBondContact O-N 2.73Å; R262-V265 PolarHBondContact O-N 3.3Å; R262-S266 PolarHBondContact O-N 3.08Å; R262-S266 VanDerWaalsContact O-N 3.08Å |
| 263 | Q | 95.7 | Very high | 94.8 | Very high | 129 Ų | 129 | 72.4 Ų | 72.4 | 60% | 0.603 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 175.8 | -171.7 | -178.5 | 7 | 0 | 0 | 111.5 | D259 M260 L261 V265 S266 I267 | D259-Q263 WeakPolarHBondContact O-CB 3.33Å; D259-Q263 PolarHBondContact O-N 3.44Å; M260-Q263 PolarHBondContact O-N 3.16Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-Q263 PolarHBondContact O-N 3.18Å; Q263-V265 PolarHBondContact O-N 3.28Å; Q263-S266 PolarHBondContact O-N 3.32Å; Q263-I267 HydrophobicContact CG-CD1 4.04Å; Q263-I267 WeakPolarHBondContact O-CG1 3.2Å; Q263-I267 PolarHBondContact O-N 2.84Å |
| 264 | K | 94.6 | Very high | 94.6 | Very high | 76 Ų | 76 | 74.9 Ų | 74.9 | 33% | 0.33 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.6 | -172.9 | -179.9 | -176.9 | -177.6 | 0 | 111.7 | N196 M260 L261 I267 L268 | N196-K264 PolarHBondContact OD1-NZ 3.32Å; M260-K264 WeakPolarHBondContact O-CB 3.33Å; M260-K264 PolarHBondContact O-N 2.55Å; L261-K264 WeakPolarHBondContact O-CB 3.1Å; L261-K264 PolarHBondContact O-N 3.31Å; K264-I267 PolarHBondContact O-N 3.46Å; K264-L268 HydrophobicContact CG-CD1 4.26Å; K264-L268 WeakPolarHBondContact O-CG 3.27Å; K264-L268 PolarHBondContact O-N 3.08Å |
| 265 | V | 94.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 76.7 Ų | 76.7 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L187 Y190 L261 R262 Q263 I267 L268 Q269 | L187-V265 HydrophobicContact CD2-CB 4.35Å; L187-V265 HydrophobicContact CD2-CG2 3.96Å; Y190-V265 HydrophobicContact CD1-CG2 3.98Å; Y190-V265 HydrophobicContact CD2-CG2 3.43Å; Y190-V265 VanDerWaalsContact CD2-CG2 3.43Å; Y190-V265 HydrophobicContact CE1-CG2 3.96Å; Y190-V265 HydrophobicContact CE2-CB 4.25Å; Y190-V265 HydrophobicContact CE2-CG1 3.77Å; Y190-V265 HydrophobicContact CE2-CG2 3.4Å; Y190-V265 HydrophobicContact CG-CG2 3.73Å; L261-V265 WeakPolarHBondContact O-CG2 3.38Å; L261-V265 PolarHBondContact O-N 3.31Å; R262-V265 PolarHBondContact O-N 3.3Å; Q263-V265 PolarHBondContact O-N 3.28Å; V265-I267 PolarHBondContact O-N 3.47Å; V265-L268 PolarHBondContact O-N 2.83Å; V265-Q269 WeakPolarHBondContact O-CG 3.34Å; V265-Q269 PolarHBondContact O-N 3.35Å |
| 266 | S | 94.9 | Very high | 94.3 | Very high | 52 Ų | 52 | 77 Ų | 77 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | R262 Q263 L268 Q269 Q270 | R262-S266 PolarHBondContact O-N 3.08Å; R262-S266 VanDerWaalsContact O-N 3.08Å; Q263-S266 PolarHBondContact O-N 3.32Å; S266-L268 PolarHBondContact O-N 2.85Å; S266-Q269 PolarHBondContact O-N 3.11Å; S266-Q270 WeakPolarHBondContact O-CG 3.36Å; S266-Q270 PolarHBondContact O-N 3.24Å |
| 267 | I | 95.4 | Very high | 94 | Very high | 87 Ų | 87 | 77.8 Ų | 77.8 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 177.8 | -67.6 | 166.1 | 0 | 0 | 0 | 111.4 | Q263 K264 V265 Q270 T271 | Q263-I267 HydrophobicContact CG-CD1 4.04Å; Q263-I267 WeakPolarHBondContact O-CG1 3.2Å; Q263-I267 PolarHBondContact O-N 2.84Å; K264-I267 PolarHBondContact O-N 3.46Å; V265-I267 PolarHBondContact O-N 3.47Å; I267-Q270 PolarHBondContact O-N 2.86Å; I267-T271 WeakPolarHBondContact O-CB 3.39Å; I267-T271 PolarHBondContact O-N 2.76Å; I267-T271 PolarHBondContact O-OG1 3.04Å |
| 268 | L | 93.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 82.7 Ų | 82.7 | 44% | 0.44 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 177.4 | -72.3 | 169.8 | 0 | 0 | 0 | 111.4 | Y190 K264 V265 S266 Q270 T271 E272 | Y190-L268 HydrophobicContact CE1-CD1 4.27Å; K264-L268 HydrophobicContact CG-CD1 4.26Å; K264-L268 WeakPolarHBondContact O-CG 3.27Å; K264-L268 PolarHBondContact O-N 3.08Å; V265-L268 PolarHBondContact O-N 2.83Å; S266-L268 PolarHBondContact O-N 2.85Å; L268-Q270 PolarHBondContact O-N 2.7Å; L268-T271 PolarHBondContact O-N 2.93Å; L268-E272 PolarHBondContact O-N 3.37Å |
| 269 | Q | 93.3 | Very high | 93 | Very high | 108 Ų | 108 | 85.6 Ų | 85.6 | 51% | 0.505 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 178 | -70.7 | 173.6 | -2.6 | 0 | 0 | 112.2 | V265 S266 T271 E272 E273 | V265-Q269 WeakPolarHBondContact O-CG 3.34Å; V265-Q269 PolarHBondContact O-N 3.35Å; S266-Q269 PolarHBondContact O-N 3.11Å; Q269-T271 VanDerWaalsContact C-N 3.35Å; Q269-T271 PolarHBondContact O-N 2.97Å; Q269-E272 PolarHBondContact O-N 3.12Å; Q269-E273 WeakPolarHBondContact O-CB 3.46Å; Q269-E273 PolarHBondContact O-N 2.68Å |
| 270 | Q | 95.4 | Very high | 92.2 | Very high | 110 Ų | 110 | 83 Ų | 83 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.4 | -70.5 | 175.6 | 12.2 | 0 | 0 | 112.1 | S266 I267 L268 E273 L274 | S266-Q270 WeakPolarHBondContact O-CG 3.36Å; S266-Q270 PolarHBondContact O-N 3.24Å; I267-Q270 PolarHBondContact O-N 2.86Å; L268-Q270 PolarHBondContact O-N 2.7Å; Q270-E273 PolarHBondContact O-N 2.7Å; Q270-L274 WeakPolarHBondContact O-CB 3.09Å; Q270-L274 VanDerWaalsContact O-CG 3.27Å; Q270-L274 WeakPolarHBondContact O-CG 3.45Å; Q270-L274 PolarHBondContact O-N 3.09Å |
| 271 | T | 94.4 | Very high | 91.3 | Very high | 75 Ų | 75 | 82.2 Ų | 82.2 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | I267 L268 Q269 S275 | I267-T271 WeakPolarHBondContact O-CB 3.39Å; I267-T271 PolarHBondContact O-N 2.76Å; I267-T271 PolarHBondContact O-OG1 3.04Å; L268-T271 PolarHBondContact O-N 2.93Å; Q269-T271 VanDerWaalsContact C-N 3.35Å; Q269-T271 PolarHBondContact O-N 2.97Å; T271-S275 VanDerWaalsContact O-CB 3.31Å; T271-S275 WeakPolarHBondContact O-CB 3.46Å; T271-S275 PolarHBondContact O-N 3.47Å; T271-S275 PolarHBondContact O-OG 3.25Å |
| 272 | E | 94.1 | Very high | 90.2 | Very high | 105 Ų | 105 | 91.1 Ų | 91.1 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 175 | -164.6 | -165.2 | 162.8 | 0 | 0 | 111.6 | L268 Q269 S275 K276 | L268-E272 PolarHBondContact O-N 3.37Å; Q269-E272 PolarHBondContact O-N 3.12Å; E272-S275 WeakPolarHBondContact O-CB 3.23Å; E272-S275 PolarHBondContact O-N 3.05Å; E272-K276 VanDerWaalsContact CD-NZ 3.35Å; E272-K276 WeakPolarHBondContact O-CG 3.21Å; E272-K276 PolarHBondContact O-N 3.01Å; E272-K276 WeakPolarHBondContact OE1-CE 3.44Å; E272-K276 IonicContact OE1-NZ 2.87Å; E272-K276 PolarHBondContact OE1-NZ 3.39Å |
| 273 | E | 93.5 | Very high | 88.8 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 178.7 | -158.3 | -148.6 | 179.5 | 0 | 0 | 112.2 | Q269 Q270 S275 K276 K277 | Q269-E273 WeakPolarHBondContact O-CB 3.46Å; Q269-E273 PolarHBondContact O-N 2.68Å; Q270-E273 PolarHBondContact O-N 2.7Å; E273-S275 VanDerWaalsContact C-N 3.32Å; E273-S275 PolarHBondContact O-N 2.85Å; E273-K276 PolarHBondContact O-N 3.09Å; E273-K277 VanDerWaalsContact CD-CE 3.44Å; E273-K277 WeakPolarHBondContact O-CG 3.3Å; E273-K277 PolarHBondContact O-N 2.81Å; E273-K277 WeakPolarHBondContact OE1-CE 3.2Å; E273-K277 IonicContact OE1-NZ 3.41Å; E273-K277 PolarHBondContact OE1-NZ 2.87Å; E273-K277 IonicContact OE2-NZ 2.81Å; E273-K277 PolarHBondContact OE2-NZ 3.04Å |
| 274 | L | 91.9 | Very high | 87.2 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 173 | -71.9 | 170.8 | 0 | 0 | 0 | 111.5 | Q270 K277 L278 | Q270-L274 WeakPolarHBondContact O-CB 3.09Å; Q270-L274 VanDerWaalsContact O-CG 3.27Å; Q270-L274 WeakPolarHBondContact O-CG 3.45Å; Q270-L274 PolarHBondContact O-N 3.09Å; L274-K277 PolarHBondContact O-N 2.95Å; L274-L278 WeakPolarHBondContact O-CG 3.41Å; L274-L278 PolarHBondContact O-N 3.16Å |
| 275 | S | 90.8 | Very high | 85.6 | Confident | 60 Ų | 60 | 96.1 Ų | 96.1 | 42% | 0.42 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.8 | -60 | 0 | 0 | 0 | 0 | 111.7 | T271 E272 E273 K277 L278 V279 | T271-S275 VanDerWaalsContact O-CB 3.31Å; T271-S275 WeakPolarHBondContact O-CB 3.46Å; T271-S275 PolarHBondContact O-N 3.47Å; T271-S275 PolarHBondContact O-OG 3.25Å; E272-S275 WeakPolarHBondContact O-CB 3.23Å; E272-S275 PolarHBondContact O-N 3.05Å; E273-S275 VanDerWaalsContact C-N 3.32Å; E273-S275 PolarHBondContact O-N 2.85Å; S275-K277 PolarHBondContact O-N 2.83Å; S275-L278 PolarHBondContact O-N 2.98Å; S275-V279 WeakPolarHBondContact O-CG2 3.3Å; S275-V279 PolarHBondContact O-N 3.47Å |
| 276 | K | 91.8 | Very high | 84 | Confident | 123 Ų | 123 | 103.1 Ų | 103.1 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 173.3 | -72.8 | 169.2 | -177.2 | 168.7 | 0 | 111.8 | E272 E273 L278 V279 A280 | E272-K276 VanDerWaalsContact CD-NZ 3.35Å; E272-K276 WeakPolarHBondContact O-CG 3.21Å; E272-K276 PolarHBondContact O-N 3.01Å; E272-K276 WeakPolarHBondContact OE1-CE 3.44Å; E272-K276 IonicContact OE1-NZ 2.87Å; E272-K276 PolarHBondContact OE1-NZ 3.39Å; E273-K276 PolarHBondContact O-N 3.09Å; K276-L278 PolarHBondContact O-N 3.24Å; K276-V279 PolarHBondContact O-N 2.95Å; K276-A280 WeakPolarHBondContact O-CB 3.39Å; K276-A280 PolarHBondContact O-N 2.58Å |
| 277 | K | 88.8 | Confident | 83 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 175.3 | -72.9 | 165.8 | -178.3 | 169.2 | 0 | 112.2 | E273 L274 S275 S281 | E273-K277 VanDerWaalsContact CD-CE 3.44Å; E273-K277 WeakPolarHBondContact O-CG 3.3Å; E273-K277 PolarHBondContact O-N 2.81Å; E273-K277 WeakPolarHBondContact OE1-CE 3.2Å; E273-K277 IonicContact OE1-NZ 3.41Å; E273-K277 PolarHBondContact OE1-NZ 2.87Å; E273-K277 IonicContact OE2-NZ 2.81Å; E273-K277 PolarHBondContact OE2-NZ 3.04Å; L274-K277 PolarHBondContact O-N 2.95Å; S275-K277 PolarHBondContact O-N 2.83Å; K277-S281 VanDerWaalsContact O-CB 3.23Å; K277-S281 WeakPolarHBondContact O-CB 3.46Å; K277-S281 PolarHBondContact O-N 2.97Å |
| 278 | L | 85.2 | Confident | 82.5 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.6 | -40.3 | 175.4 | -71.7 | 171.8 | 0 | 0 | 0 | 112.7 | L274 S275 K276 S281 R282 | L274-L278 WeakPolarHBondContact O-CG 3.41Å; L274-L278 PolarHBondContact O-N 3.16Å; S275-L278 PolarHBondContact O-N 2.98Å; K276-L278 PolarHBondContact O-N 3.24Å; L278-S281 PolarHBondContact O-N 2.7Å; L278-R282 WeakPolarHBondContact O-CG 3.35Å; L278-R282 PolarHBondContact O-N 3.24Å |
| 279 | V | 83.9 | Confident | 82.4 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | S275 K276 S281 R282 L283 | S275-V279 WeakPolarHBondContact O-CG2 3.3Å; S275-V279 PolarHBondContact O-N 3.47Å; K276-V279 PolarHBondContact O-N 2.95Å; V279-S281 VanDerWaalsContact C-N 3.32Å; V279-S281 PolarHBondContact O-N 3.23Å; V279-R282 PolarHBondContact O-N 2.79Å; V279-L283 HydrophobicContact CG1-CD1 3.97Å; V279-L283 HydrophobicContact CG1-CG 4.5Å; V279-L283 WeakPolarHBondContact O-CG 3Å; V279-L283 PolarHBondContact O-N 2.86Å |
| 280 | A | 79.1 | Confident | 82.4 | Confident | 45 Ų | 45 | 101.9 Ų | 101.9 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K276 R282 L283 N284 | K276-A280 WeakPolarHBondContact O-CB 3.39Å; K276-A280 PolarHBondContact O-N 2.58Å; A280-R282 PolarHBondContact O-N 3.45Å; A280-L283 PolarHBondContact O-N 3.07Å; A280-N284 WeakPolarHBondContact O-CB 3.34Å; A280-N284 PolarHBondContact O-N 2.8Å; A280-N284 PolarHBondContact O-ND2 2.98Å |
| 281 | S | 75.9 | Confident | 82.3 | Confident | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | K277 L278 V279 N284 Q285 | K277-S281 VanDerWaalsContact O-CB 3.23Å; K277-S281 WeakPolarHBondContact O-CB 3.46Å; K277-S281 PolarHBondContact O-N 2.97Å; L278-S281 PolarHBondContact O-N 2.7Å; V279-S281 VanDerWaalsContact C-N 3.32Å; V279-S281 PolarHBondContact O-N 3.23Å; S281-N284 PolarHBondContact O-N 3.34Å; S281-Q285 WeakPolarHBondContact O-CG 3.41Å; S281-Q285 PolarHBondContact O-N 3.42Å; S281-Q285 VanDerWaalsContact O-N 3.13Å |
| 282 | R | 72.4 | Confident | 82.4 | Confident | 187 Ų | 187 | 98.7 Ų | 98.7 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 175 | -72.2 | 174.2 | -178.9 | -175.9 | 1.4 | 113.2 | L278 V279 A280 Q285 | L278-R282 WeakPolarHBondContact O-CG 3.35Å; L278-R282 PolarHBondContact O-N 3.24Å; V279-R282 PolarHBondContact O-N 2.79Å; A280-R282 PolarHBondContact O-N 3.45Å; R282-Q285 PolarHBondContact O-N 3.33Å |
| 283 | L | 66.2 | Low | 82.4 | Confident | 136 Ų | 136 | 94.9 Ų | 94.9 | 71% | 0.712 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.1 | -35.4 | 177.1 | -70.8 | 168.8 | 0 | 0 | 0 | 112.3 | V279 A280 Q285 | V279-L283 HydrophobicContact CG1-CD1 3.97Å; V279-L283 HydrophobicContact CG1-CG 4.5Å; V279-L283 WeakPolarHBondContact O-CG 3Å; V279-L283 PolarHBondContact O-N 2.86Å; A280-L283 PolarHBondContact O-N 3.07Å; L283-Q285 VanDerWaalsContact C-N 3.27Å; L283-Q285 PolarHBondContact O-N 3.46Å |
| 284 | N | 61.4 | Low | 82.6 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -75.2 | -16.2 | 175.6 | -68.8 | -12 | 0 | 0 | 0 | 112.9 | A280 S281 Q286 | A280-N284 WeakPolarHBondContact O-CB 3.34Å; A280-N284 PolarHBondContact O-N 2.8Å; A280-N284 PolarHBondContact O-ND2 2.98Å; S281-N284 PolarHBondContact O-N 3.34Å; N284-Q286 PolarHBondContact O-N 2.84Å; N284-Q286 VanDerWaalsContact O-N 3.1Å |
| 285 | Q | 60.6 | Low | 82.7 | Confident | 137 Ų | 137 | 91.5 Ų | 91.5 | 64% | 0.64 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -76.5 | 89 | 165.5 | -74.8 | 177.1 | 1.6 | 0 | 0 | 109.4 | S281 R282 L283 S287 | S281-Q285 WeakPolarHBondContact O-CG 3.41Å; S281-Q285 PolarHBondContact O-N 3.42Å; S281-Q285 VanDerWaalsContact O-N 3.13Å; R282-Q285 PolarHBondContact O-N 3.33Å; L283-Q285 VanDerWaalsContact C-N 3.27Å; L283-Q285 PolarHBondContact O-N 3.46Å; Q285-S287 PolarHBondContact O-N 2.86Å |
| 286 | Q | 61.9 | Low | 82.8 | Confident | 156 Ų | 156 | 91.5 Ų | 91.5 | 73% | 0.729 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 136.3 | 165.2 | -69.2 | -178 | -13.4 | 0 | 0 | 109.8 | N284 P288 | N284-Q286 PolarHBondContact O-N 2.84Å; N284-Q286 VanDerWaalsContact O-N 3.1Å; Q286-P288 VanDerWaalsContact O-N 3.17Å |
| 287 | S | 74.2 | Confident | 82.9 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 72% | 0.72 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 123.4 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 109.3 | Q285 F289 | Q285-S287 PolarHBondContact O-N 2.86Å; S287-F289 PolarHBondContact O-N 3.17Å |
| 288 | P | 85 | Confident | 83.2 | Confident | 65 Ų | 65 | 90.3 Ų | 90.3 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.5 | -174.4 | 26.2 | -34.9 | 0 | 0 | 0 | 109.4 | Q286 V290 L321 G336 | Q286-P288 VanDerWaalsContact O-N 3.17Å; P288-V290 PolarHBondContact O-N 3.06Å; P288-L321 HydrophobicContact CB-CD1 3.85Å; P288-G336 CarbonylContact C-O 3.57Å; P288-G336 WeakPolarHBondContact CA-O 3.45Å; P288-G336 WeakPolarHBondContact CB-O 3.49Å |
| 289 | F | 90.4 | Very high | 83.6 | Confident | 79 Ų | 79 | 85.2 Ų | 85.2 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 136.1 | 171.4 | -64 | -86.1 | 0 | 0 | 0 | 108.5 | S287 S335 G336 K337 T338 Q339 V342 | S287-F289 PolarHBondContact O-N 3.17Å; F289-S335 CarbonylContact O-C 3.56Å; F289-S335 VanDerWaalsContact O-CA 3.3Å; F289-S335 WeakPolarHBondContact O-CA 3.45Å; F289-G336 PolarHBondContact N-O 2.9Å; F289-G336 PolarHBondContact O-N 2.86Å; F289-K337 WeakPolarHBondContact CD2-O 3.48Å; F289-K337 WeakPolarHBondContact CE2-O 3.34Å; F289-T338 VanDerWaalsContact CD2-C 3.48Å; F289-T338 VanDerWaalsContact CD2-CA 3.44Å; F289-Q339 HydrophobicContact CD1-CB 4.09Å; F289-Q339 HydrophobicContact CE1-CB 4.38Å; F289-Q339 HydrophobicContact CG-CB 4.39Å; F289-V342 HydrophobicContact CB-CG2 4.05Å; F289-V342 WeakPolarHBondContact O-CG1 3.3Å |
| 290 | V | 93.5 | Very high | 84.1 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 35% | 0.352 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.3 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | P288 R333 I334 | P288-V290 PolarHBondContact O-N 3.06Å; V290-R333 HydrophobicContact CG1-CG 3.85Å; V290-I334 VanDerWaalsContact CA-O 3.29Å; V290-I334 WeakPolarHBondContact CA-O 3.46Å |
| 291 | E | 94.3 | Very high | 84.8 | Confident | 29 Ų | 29 | 85.2 Ų | 85.2 | 14% | 0.136 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.6 | 165.8 | -75.9 | -86.3 | -179.9 | 0 | 0 | 107.5 | I334 Q339 V342 K343 K346 | E291-I334 HydrophobicContact CB-CB 4.48Å; E291-I334 PolarHBondContact N-O 3.1Å; E291-I334 PolarHBondContact O-N 3.02Å; E291-Q339 PolarHBondContact OE1-NE2 3.39Å; E291-V342 HydrophobicContact CB-CB 4.18Å; E291-V342 HydrophobicContact CB-CG2 4.32Å; E291-V342 HydrophobicContact CG-CB 3.79Å; E291-V342 HydrophobicContact CG-CG2 3.46Å; E291-V342 VanDerWaalsContact CG-CG2 3.46Å; E291-K343 VanDerWaalsContact OE1-CG 3.23Å; E291-K343 WeakPolarHBondContact OE1-CG 3.39Å; E291-K346 HydrophobicContact CB-CD 4.15Å; E291-K346 HydrophobicContact CG-CD 4.33Å; E291-K346 VanDerWaalsContact OE2-CD 3.22Å; E291-K346 WeakPolarHBondContact OE2-CD 3.31Å; E291-K346 IonicContact OE2-NZ 3.74Å; E291-K346 PolarHBondContact OE2-NZ 3.34Å |
| 292 | E | 95.1 | Very high | 85.7 | Confident | 90 Ų | 90 | 86.1 Ų | 86.1 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.5 | 179.8 | -159.7 | 161.7 | 146.9 | 0 | 0 | 109.2 | N331 I332 R333 | E292-N331 WeakPolarHBondContact CG-OD1 3.36Å; E292-N331 PolarHBondContact OE1-ND2 2.94Å; E292-I332 WeakPolarHBondContact CA-O 3.46Å; E292-R333 HydrophobicContact CB-CG 4.49Å; E292-R333 HydrophobicContact CG-CB 4Å; E292-R333 HydrophobicContact CG-CG 4.2Å; E292-R333 WeakPolarHBondContact OE2-CD 3.43Å; E292-R333 VanDerWaalsContact OE2-CG 3.29Å; E292-R333 WeakPolarHBondContact OE2-CG 3.2Å; E292-R333 IonicContact OE2-CZ 3.23Å; E292-R333 IonicContact OE2-NE 3.92Å; E292-R333 PolarHBondContact OE2-NE 2.89Å; E292-R333 IonicContact OE2-NH1 2.69Å |
| 293 | F | 95.6 | Very high | 86.7 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 155 | -177.7 | 61.1 | -78 | 0 | 0 | 0 | 111.9 | I295 I332 I334 K346 L349 D350 | F293-I295 HydrophobicContact CD2-CG1 4.03Å; F293-I295 HydrophobicContact CE2-CD1 3.84Å; F293-I295 HydrophobicContact CE2-CG1 3.81Å; F293-I332 HydrophobicContact CD1-CB 4.48Å; F293-I332 HydrophobicContact CE1-CB 3.91Å; F293-I332 HydrophobicContact CE1-CG2 3.78Å; F293-I332 HydrophobicContact CE2-CB 4.13Å; F293-I332 HydrophobicContact CZ-CB 3.71Å; F293-I332 HydrophobicContact CZ-CD1 4.46Å; F293-I332 HydrophobicContact CZ-CG1 4.5Å; F293-I332 HydrophobicContact CZ-CG2 3.74Å; F293-I332 PolarHBondContact N-O 3.13Å; F293-I332 PolarHBondContact O-N 2.92Å; F293-I334 HydrophobicContact CE1-CD1 3.89Å; F293-I334 HydrophobicContact CE1-CG1 4.27Å; F293-I334 HydrophobicContact CZ-CD1 4.45Å; F293-K346 HydrophobicContact CD1-CD 3.9Å; F293-K346 HydrophobicContact CD1-CG 3.9Å; F293-K346 HydrophobicContact CE1-CB 4.2Å; F293-K346 HydrophobicContact CE1-CD 4.18Å; F293-K346 HydrophobicContact CE1-CG 3.73Å; F293-K346 HydrophobicContact CZ-CG 4.18Å; F293-L349 HydrophobicContact CE2-CB 4.45Å; F293-L349 HydrophobicContact CZ-CB 3.86Å; F293-D350 HydrophobicContact CE2-CB 4.14Å |
| 294 | L | 95.7 | Very high | 88.1 | Confident | 127 Ų | 127 | 72 Ų | 72 | 67% | 0.665 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 147.9 | 176.8 | -64.4 | 170.9 | 0 | 0 | 0 | 111.2 | N331 | L294-N331 HydrophobicContact CD2-CB 3.85Å |
| 295 | I | 94.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | trans | -124.5 | 134.6 | 173 | -57.1 | 179.3 | 0 | 0 | 0 | 107.8 | F293 L297 L299 I300 A303 G330 I332 L349 | F293-I295 HydrophobicContact CD2-CG1 4.03Å; F293-I295 HydrophobicContact CE2-CD1 3.84Å; F293-I295 HydrophobicContact CE2-CG1 3.81Å; I295-L297 PolarHBondContact O-N 3.41Å; I295-L299 HydrophobicContact CG2-CB 3.96Å; I295-I300 HydrophobicContact CG2-CG1 4.35Å; I295-A303 HydrophobicContact CD1-CB 3.52Å; I295-G330 PolarHBondContact N-O 3.31Å; I295-I332 HydrophobicContact CD1-CD1 3.42Å; I295-I332 VanDerWaalsContact CD1-CD1 3.42Å; I295-I332 HydrophobicContact CD1-CG1 3.75Å; I295-L349 WeakPolarHBondContact CD1-O 3.47Å | ||
| 296 | P | 94.1 | Very high | 91.1 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | trans | -52.1 | 135.9 | 171.2 | -27.2 | 36 | 0 | 0 | 0 | 111.9 | D298 L299 I300 | P296-D298 VanDerWaalsContact CB-OD1 3.22Å; P296-D298 WeakPolarHBondContact CB-OD1 3.34Å; P296-D298 PolarHBondContact O-N 3.21Å; P296-D298 VanDerWaalsContact O-N 3.14Å; P296-L299 HydrophobicContact CB-CB 4.41Å; P296-L299 HydrophobicContact CB-CD1 4.05Å; P296-L299 HydrophobicContact CB-CG 4.07Å; P296-L299 HydrophobicContact CG-CD1 3.92Å; P296-L299 HydrophobicContact CG-CG 4.48Å; P296-L299 WeakPolarHBondContact O-CA 3.43Å; P296-L299 PolarHBondContact O-N 2.89Å; P296-I300 PolarHBondContact O-N 3.43Å | ||
| 297 | L | 94.2 | Very high | 92.5 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.1 | -167.4 | -59.1 | -176.6 | 0 | 0 | 0 | 113.4 | I295 L299 I300 Q328 | I295-L297 PolarHBondContact O-N 3.41Å; L297-L299 VanDerWaalsContact C-N 3.35Å; L297-I300 HydrophobicContact CB-CD1 4.36Å; L297-I300 HydrophobicContact CD2-CD1 3.76Å; L297-Q328 WeakPolarHBondContact CD2-O 3.41Å |
| 298 | D | 94 | Very high | 93.4 | Very high | 97 Ų | 97 | 60.3 Ų | 60.3 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27.3 | 174.2 | 63.6 | -52.5 | 0 | 0 | 0 | 113.2 | P296 H301 | P296-D298 VanDerWaalsContact CB-OD1 3.22Å; P296-D298 WeakPolarHBondContact CB-OD1 3.34Å; P296-D298 PolarHBondContact O-N 3.21Å; P296-D298 VanDerWaalsContact O-N 3.14Å; D298-H301 PolarHBondContact O-CE1 3.45Å; D298-H301 PolarHBondContact O-ND1 2.87Å |
| 299 | L | 94 | Very high | 93.9 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -11.9 | -179.6 | -56.6 | -176.7 | 0 | 0 | 0 | 113.6 | I295 P296 L297 H301 Y302 F351 Q353 T404 | I295-L299 HydrophobicContact CG2-CB 3.96Å; P296-L299 HydrophobicContact CB-CB 4.41Å; P296-L299 HydrophobicContact CB-CD1 4.05Å; P296-L299 HydrophobicContact CB-CG 4.07Å; P296-L299 HydrophobicContact CG-CD1 3.92Å; P296-L299 HydrophobicContact CG-CG 4.48Å; P296-L299 WeakPolarHBondContact O-CA 3.43Å; P296-L299 PolarHBondContact O-N 2.89Å; L297-L299 VanDerWaalsContact C-N 3.35Å; L299-H301 PolarHBondContact O-N 2.88Å; L299-Y302 HydrophobicContact CB-CD2 4.27Å; L299-Y302 HydrophobicContact CD2-CD2 3.9Å; L299-Y302 HydrophobicContact CD2-CE2 3.75Å; L299-Y302 WeakPolarHBondContact O-CB 3.13Å; L299-Y302 PolarHBondContact O-N 2.99Å; L299-F351 HydrophobicContact CB-CB 4.41Å; L299-Q353 HydrophobicContact CD1-CB 3.99Å; L299-T404 HydrophobicContact CD2-CG2 3.78Å |
| 300 | I | 94.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -49.9 | -35.7 | 179 | -68.6 | 175.7 | 0 | 0 | 0 | 112.3 | I295 P296 L297 Y302 A303 I304 L325 | I295-I300 HydrophobicContact CG2-CG1 4.35Å; P296-I300 PolarHBondContact O-N 3.43Å; L297-I300 HydrophobicContact CB-CD1 4.36Å; L297-I300 HydrophobicContact CD2-CD1 3.76Å; I300-Y302 PolarHBondContact O-N 3.18Å; I300-A303 PolarHBondContact O-N 3.21Å; I300-A303 VanDerWaalsContact O-N 3.16Å; I300-I304 HydrophobicContact CG2-CD1 3.79Å; I300-I304 HydrophobicContact CG2-CG1 4.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.27Å; I300-I304 PolarHBondContact O-N 3.33Å; I300-L325 HydrophobicContact CG2-CD1 4.16Å; I300-L325 HydrophobicContact CG2-CD2 3.87Å |
| 301 | H | 94.3 | Very high | 94.2 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -21.5 | 179.5 | 65.6 | 5 | 0 | 0 | 0 | 114.1 | D298 L299 G305 | D298-H301 PolarHBondContact O-CE1 3.45Å; D298-H301 PolarHBondContact O-ND1 2.87Å; L299-H301 PolarHBondContact O-N 2.88Å; H301-G305 WeakPolarHBondContact O-CA 3.32Å; H301-G305 PolarHBondContact O-N 3.24Å |
| 302 | Y | 94.1 | Very high | 94.3 | Very high | 79 Ų | 79 | 61.1 Ų | 61.1 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.7 | -39.6 | 172.5 | -60.8 | -55 | 0 | 0 | 0 | 111.7 | L299 I300 G305 N310 F351 V384 T404 | L299-Y302 HydrophobicContact CB-CD2 4.27Å; L299-Y302 HydrophobicContact CD2-CD2 3.9Å; L299-Y302 HydrophobicContact CD2-CE2 3.75Å; L299-Y302 WeakPolarHBondContact O-CB 3.13Å; L299-Y302 PolarHBondContact O-N 2.99Å; I300-Y302 PolarHBondContact O-N 3.18Å; Y302-G305 PolarHBondContact O-N 3.04Å; Y302-G305 VanDerWaalsContact O-N 3.14Å; Y302-N310 PolarHBondContact O-ND2 2.96Å; Y302-F351 HydrophobicContact CG-CD1 4.27Å; Y302-F351 WeakPolarHBondContact O-CE2 3.47Å; Y302-V384 HydrophobicContact CD1-CG1 4.04Å; Y302-V384 HydrophobicContact CE1-CG1 3.51Å; Y302-V384 HydrophobicContact CE2-CG1 4.26Å; Y302-T404 HydrophobicContact CD2-CG2 4.32Å; Y302-T404 HydrophobicContact CE2-CG2 3.81Å |
| 303 | A | 94.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I295 I300 N310 I311 I332 L349 F351 | I295-A303 HydrophobicContact CD1-CB 3.52Å; I300-A303 PolarHBondContact O-N 3.21Å; I300-A303 VanDerWaalsContact O-N 3.16Å; A303-N310 VanDerWaalsContact O-CB 3.27Å; A303-N310 WeakPolarHBondContact O-CB 3.41Å; A303-I311 PolarHBondContact O-N 2.87Å; A303-I332 HydrophobicContact CB-CD1 3.98Å; A303-L349 HydrophobicContact CB-CD2 4.3Å; A303-L349 WeakPolarHBondContact O-CD2 3.47Å; A303-F351 HydrophobicContact CB-CD2 3.95Å |
| 304 | I | 94.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.138 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -49.8 | 167.7 | -62.2 | 169.8 | 0 | 0 | 0 | 109.4 | I300 G308 S309 N310 I311 L325 | I300-I304 HydrophobicContact CG2-CD1 3.79Å; I300-I304 HydrophobicContact CG2-CG1 4.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.27Å; I300-I304 PolarHBondContact O-N 3.33Å; I304-G308 CarbonylContact O-C 3.57Å; I304-G308 WeakPolarHBondContact O-CA 3.38Å; I304-S309 PolarHBondContact O-N 3.45Å; I304-N310 PolarHBondContact O-N 2.75Å; I304-I311 PolarHBondContact O-N 2.81Å; I304-L325 HydrophobicContact CD1-CD2 3.84Å; I304-L325 HydrophobicContact CG1-CD2 3.48Å; I304-L325 VanDerWaalsContact CG1-CD2 3.48Å |
| 305 | G | 92.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | trans | 76.6 | 167.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H301 Y302 Q307 G308 | H301-G305 WeakPolarHBondContact O-CA 3.32Å; H301-G305 PolarHBondContact O-N 3.24Å; Y302-G305 PolarHBondContact O-N 3.04Å; Y302-G305 VanDerWaalsContact O-N 3.14Å; G305-Q307 PolarHBondContact O-N 2.83Å; G305-G308 PolarHBondContact O-N 2.93Å | ||
| 306 | A | 92.4 | Very high | 94.5 | Very high | 82 Ų | 82 | 63 Ų | 63 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -55.3 | 122.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | G308 S309 | A306-G308 PolarHBondContact O-N 3.35Å; A306-S309 PolarHBondContact N-OG 2.85Å; A306-S309 VanDerWaalsContact O-CB 3.23Å; A306-S309 WeakPolarHBondContact O-CB 3.38Å; A306-S309 PolarHBondContact O-N 3.43Å; A306-S309 VanDerWaalsContact O-N 3.07Å; A306-S309 PolarHBondContact O-OG 3.06Å; A306-S309 VanDerWaalsContact O-OG 3.08Å |
| 307 | Q | 91.9 | Very high | 94.6 | Very high | 182 Ų | 182 | 62 Ų | 62 | 85% | 0.85 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | 52.7 | 31.3 | -173.5 | -54.3 | 179.5 | -4.1 | 0 | 0 | 114.2 | G305 S309 R312 | G305-Q307 PolarHBondContact O-N 2.83Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 2.62Å; Q307-R312 PolarHBondContact O-NH2 2.99Å |
| 308 | G | 93 | Very high | 94.6 | Very high | 12 Ų | 12 | 65.8 Ų | 65.8 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | 70.6 | 27.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I304 G305 A306 R312 | I304-G308 CarbonylContact O-C 3.57Å; I304-G308 WeakPolarHBondContact O-CA 3.38Å; G305-G308 PolarHBondContact O-N 2.93Å; A306-G308 PolarHBondContact O-N 3.35Å; G308-R312 VanDerWaalsContact O-CB 3.24Å; G308-R312 WeakPolarHBondContact O-CB 3.39Å; G308-R312 WeakPolarHBondContact O-CG 3.48Å; G308-R312 PolarHBondContact O-N 2.82Å; G308-R312 VanDerWaalsContact O-N 3.13Å; G308-R312 PolarHBondContact O-NE 3.08Å; G308-R312 VanDerWaalsContact O-NE 3.1Å |
| 309 | S | 95.6 | Very high | 94.5 | Very high | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | -178 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | I304 A306 Q307 R313 | I304-S309 PolarHBondContact O-N 3.45Å; A306-S309 PolarHBondContact N-OG 2.85Å; A306-S309 VanDerWaalsContact O-CB 3.23Å; A306-S309 WeakPolarHBondContact O-CB 3.38Å; A306-S309 PolarHBondContact O-N 3.43Å; A306-S309 VanDerWaalsContact O-N 3.07Å; A306-S309 PolarHBondContact O-OG 3.06Å; A306-S309 VanDerWaalsContact O-OG 3.08Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 2.62Å; S309-R313 WeakPolarHBondContact O-CG 3.44Å; S309-R313 PolarHBondContact O-N 2.89Å |
| 310 | N | 94.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.9 | -46.4 | -176.1 | -72.7 | -11.5 | 0 | 0 | 0 | 111.4 | Y302 A303 I304 R312 R313 A314 L349 | Y302-N310 PolarHBondContact O-ND2 2.96Å; A303-N310 VanDerWaalsContact O-CB 3.27Å; A303-N310 WeakPolarHBondContact O-CB 3.41Å; I304-N310 PolarHBondContact O-N 2.75Å; N310-R312 VanDerWaalsContact C-N 3.26Å; N310-R312 PolarHBondContact O-N 2.95Å; N310-R313 PolarHBondContact O-N 2.9Å; N310-R313 VanDerWaalsContact O-N 3.13Å; N310-R313 PolarHBondContact OD1-NH2 3.44Å; N310-A314 PolarHBondContact O-N 3.32Å; N310-L349 HydrophobicContact CB-CD2 4.38Å |
| 311 | I | 94.8 | Very high | 94.5 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.2 | -32.4 | 173.4 | -167.4 | 166.8 | 0 | 0 | 0 | 112.6 | A303 I304 S315 V323 L325 | A303-I311 PolarHBondContact O-N 2.87Å; I304-I311 PolarHBondContact O-N 2.81Å; I311-S315 WeakPolarHBondContact O-CB 3.4Å; I311-S315 PolarHBondContact O-N 3.07Å; I311-S315 PolarHBondContact O-OG 3.34Å; I311-V323 HydrophobicContact CD1-CG1 4.14Å; I311-V323 HydrophobicContact CG1-CB 4.38Å; I311-V323 HydrophobicContact CG1-CG1 3.92Å; I311-L325 HydrophobicContact CD1-CB 4.31Å |
| 312 | R | 96.1 | Very high | 94.5 | Very high | 148 Ų | 148 | 63.2 Ų | 63.2 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.1 | -42.6 | 171.2 | -79.3 | -175.3 | -71 | 162.5 | -5.4 | 112.6 | Q307 G308 N310 S315 A316 | Q307-R312 PolarHBondContact O-NH2 2.99Å; G308-R312 VanDerWaalsContact O-CB 3.24Å; G308-R312 WeakPolarHBondContact O-CB 3.39Å; G308-R312 WeakPolarHBondContact O-CG 3.48Å; G308-R312 PolarHBondContact O-N 2.82Å; G308-R312 VanDerWaalsContact O-N 3.13Å; G308-R312 PolarHBondContact O-NE 3.08Å; G308-R312 VanDerWaalsContact O-NE 3.1Å; N310-R312 VanDerWaalsContact C-N 3.26Å; N310-R312 PolarHBondContact O-N 2.95Å; R312-S315 PolarHBondContact O-N 3.05Å; R312-A316 VanDerWaalsContact O-CB 3.26Å; R312-A316 WeakPolarHBondContact O-CB 3.43Å; R312-A316 PolarHBondContact O-N 2.82Å |
| 313 | R | 96 | Very high | 94.6 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 56% | 0.555 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 174.3 | -76.1 | -167.3 | -64.4 | 162.3 | -0.4 | 111.7 | S309 N310 A316 I317 L348 | S309-R313 WeakPolarHBondContact O-CG 3.44Å; S309-R313 PolarHBondContact O-N 2.89Å; N310-R313 PolarHBondContact O-N 2.9Å; N310-R313 VanDerWaalsContact O-N 3.13Å; N310-R313 PolarHBondContact OD1-NH2 3.44Å; R313-A316 PolarHBondContact O-N 3.37Å; R313-I317 PolarHBondContact O-N 2.9Å; R313-L348 HydrophobicContact CB-CD1 4.12Å |
| 314 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N310 A316 I317 V323 A345 L348 L349 | N310-A314 PolarHBondContact O-N 3.32Å; A314-A316 PolarHBondContact O-N 3.24Å; A314-I317 PolarHBondContact O-N 2.87Å; A314-V323 HydrophobicContact CB-CG2 4.36Å; A314-A345 HydrophobicContact CB-CB 4.16Å; A314-L348 HydrophobicContact CB-CB 4.4Å; A314-L348 HydrophobicContact CB-CD1 4.5Å; A314-L349 HydrophobicContact CB-CD1 3.53Å; A314-L349 HydrophobicContact CB-CD2 4.07Å; A314-L349 HydrophobicContact CB-CG 3.75Å |
| 315 | S | 96.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.3 | -16 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 114 | I311 R312 | I311-S315 WeakPolarHBondContact O-CB 3.4Å; I311-S315 PolarHBondContact O-N 3.07Å; I311-S315 PolarHBondContact O-OG 3.34Å; R312-S315 PolarHBondContact O-N 3.05Å |
| 316 | A | 96.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 69.9 Ų | 69.9 | 67% | 0.669 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | R312 R313 A314 | R312-A316 VanDerWaalsContact O-CB 3.26Å; R312-A316 WeakPolarHBondContact O-CB 3.43Å; R312-A316 PolarHBondContact O-N 2.82Å; R313-A316 PolarHBondContact O-N 3.37Å; A314-A316 PolarHBondContact O-N 3.24Å |
| 317 | I | 96.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 74.5 Ų | 74.5 | 21% | 0.21 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -69.3 | 130.9 | 172.1 | -72 | 170.5 | 0 | 0 | 0 | 109.1 | R313 A314 G319 V320 A341 N344 A345 L348 | R313-I317 PolarHBondContact O-N 2.9Å; A314-I317 PolarHBondContact O-N 2.87Å; I317-G319 PolarHBondContact O-N 2.96Å; I317-V320 HydrophobicContact CB-CG2 3.83Å; I317-V320 HydrophobicContact CG2-CG2 4Å; I317-V320 WeakPolarHBondContact O-CB 3.44Å; I317-V320 PolarHBondContact O-N 2.67Å; I317-A341 HydrophobicContact CG2-CB 4.38Å; I317-N344 HydrophobicContact CD1-CB 4.19Å; I317-A345 HydrophobicContact CD1-CB 4.03Å; I317-L348 HydrophobicContact CD1-CD1 3.8Å |
| 318 | E | 94.8 | Very high | 94.8 | Very high | 186 Ų | 186 | 73.9 Ų | 73.9 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 130.6 | 178.1 | -174.2 | 171.5 | -171 | 0 | 0 | 111 | A341 | E318-A341 WeakPolarHBondContact O-CB 3.31Š|
| 319 | G | 92 | Very high | 94.8 | Very high | 18 Ų | 18 | 77 Ų | 77 | 19% | 0.186 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -12.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | I317 G336 K337 | I317-G319 PolarHBondContact O-N 2.96Å; G319-G336 CarbonylContact O-C 3.59Å; G319-G336 WeakPolarHBondContact O-CA 3.24Å; G319-K337 PolarHBondContact O-N 2.93Å |
| 320 | V | 95.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 138.7 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | I317 V323 I334 A341 A345 | I317-V320 HydrophobicContact CB-CG2 3.83Å; I317-V320 HydrophobicContact CG2-CG2 4Å; I317-V320 WeakPolarHBondContact O-CB 3.44Å; I317-V320 PolarHBondContact O-N 2.67Å; V320-V323 HydrophobicContact CG1-CG2 4.02Å; V320-I334 HydrophobicContact CG1-CG2 4.35Å; V320-A341 HydrophobicContact CG2-CB 4.16Å; V320-A345 HydrophobicContact CG2-CB 3.95Å |
| 321 | L | 93.7 | Very high | 94.7 | Very high | 97 Ų | 97 | 76 Ų | 76 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -37.6 | -179 | -66.3 | 170.4 | 0 | 0 | 0 | 111.9 | P288 S335 K337 | P288-L321 HydrophobicContact CB-CD1 3.85Å; L321-S335 PolarHBondContact N-O 3.17Å; L321-K337 HydrophobicContact CD1-CG 4.12Å; L321-K337 HydrophobicContact CD2-CG 4.01Å; L321-K337 HydrophobicContact CG-CG 4.11Å |
| 322 | S | 94.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 145.4 | 169.2 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | I334 S335 | S322-I334 WeakPolarHBondContact O-CA 3.37Å; S322-S335 PolarHBondContact N-O 3.26Å; S322-S335 PolarHBondContact N-OG 3.35Å; S322-S335 PolarHBondContact O-N 2.83Å; S322-S335 PolarHBondContact OG-OG 3.4Å |
| 323 | V | 95.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 73.1 Ų | 73.1 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.5 | 161.5 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | I311 A314 V320 I332 I334 L349 | I311-V323 HydrophobicContact CD1-CG1 4.14Å; I311-V323 HydrophobicContact CG1-CB 4.38Å; I311-V323 HydrophobicContact CG1-CG1 3.92Å; A314-V323 HydrophobicContact CB-CG2 4.36Å; V320-V323 HydrophobicContact CG1-CG2 4.02Å; V323-I332 HydrophobicContact CG1-CG2 4.07Å; V323-I334 HydrophobicContact CG1-CG1 4.44Å; V323-I334 HydrophobicContact CG2-CG2 4.31Å; V323-L349 HydrophobicContact CG1-CD1 3.79Å |
| 324 | K | 95.7 | Very high | 94.8 | Very high | 139 Ų | 139 | 66.1 Ų | 66.1 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135 | 174.8 | -62.3 | -177.5 | -177.4 | -178.9 | 0 | 108.7 | I332 R333 | K324-I332 CarbonylContact O-C 3.59Å; K324-I332 VanDerWaalsContact O-CA 3.31Å; K324-I332 WeakPolarHBondContact O-CA 3.46Å; K324-R333 PolarHBondContact N-O 3.13Å; K324-R333 PolarHBondContact O-N 2.78Å |
| 325 | L | 94.3 | Very high | 94.7 | Very high | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119 | 175.8 | 160.8 | 64.7 | 0 | 0 | 0 | 107.6 | I300 I304 I311 R327 N331 I332 | I300-L325 HydrophobicContact CG2-CD1 4.16Å; I300-L325 HydrophobicContact CG2-CD2 3.87Å; I304-L325 HydrophobicContact CD1-CD2 3.84Å; I304-L325 HydrophobicContact CG1-CD2 3.48Å; I304-L325 VanDerWaalsContact CG1-CD2 3.48Å; I311-L325 HydrophobicContact CD1-CB 4.31Å; L325-R327 HydrophobicContact CD2-CG 4.49Å; L325-R327 HydrophobicContact CG-CG 4.37Å; L325-N331 WeakPolarHBondContact CA-O 3.43Å; L325-I332 HydrophobicContact CB-CD1 4.25Å; L325-I332 HydrophobicContact CB-CG1 4.03Å; L325-I332 HydrophobicContact CD1-CD1 4Å; L325-I332 HydrophobicContact CD1-CG1 3.58Å; L325-I332 HydrophobicContact CG-CD1 4.5Å; L325-I332 HydrophobicContact CG-CG1 4.33Å |
| 326 | D | 94.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | trans | -83.4 | 123.4 | 162 | 176.4 | 21.6 | 0 | 0 | 0 | 109.6 | Q328 T329 G330 N331 | D326-Q328 PolarHBondContact OD1-N 2.88Å; D326-T329 VanDerWaalsContact OD2-CB 3.31Å; D326-T329 WeakPolarHBondContact OD2-CB 3.36Å; D326-T329 VanDerWaalsContact OD2-CG2 3.24Å; D326-T329 WeakPolarHBondContact OD2-CG2 3.47Å; D326-T329 PolarHBondContact OD2-N 2.81Å; D326-T329 VanDerWaalsContact OD2-N 3.1Å; D326-T329 PolarHBondContact OD2-OG1 2.94Å; D326-G330 VanDerWaalsContact O-CA 3.32Å; D326-G330 WeakPolarHBondContact O-CA 3.3Å; D326-G330 PolarHBondContact O-N 3.37Å; D326-N331 PolarHBondContact N-O 3.37Å | ||
| 327 | R | 91.2 | Very high | 94.3 | Very high | 178 Ų | 178 | 67.3 Ų | 67.3 | 67% | 0.672 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.5 | -179.5 | -64.7 | 177.2 | 177.6 | -116.5 | 3.6 | 113.3 | L325 | L325-R327 HydrophobicContact CD2-CG 4.49Å; L325-R327 HydrophobicContact CG-CG 4.37Å |
| 328 | Q | 92.1 | Very high | 94 | Very high | 169 Ų | 169 | 68.5 Ų | 68.5 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -42 | 179.1 | -63.4 | -173.3 | -8.9 | 0 | 0 | 111.7 | L297 D326 | L297-Q328 WeakPolarHBondContact CD2-O 3.41Å; D326-Q328 PolarHBondContact OD1-N 2.88Å |
| 329 | T | 93.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -16.9 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | D326 N331 | D326-T329 VanDerWaalsContact OD2-CB 3.31Å; D326-T329 WeakPolarHBondContact OD2-CB 3.36Å; D326-T329 VanDerWaalsContact OD2-CG2 3.24Å; D326-T329 WeakPolarHBondContact OD2-CG2 3.47Å; D326-T329 PolarHBondContact OD2-N 2.81Å; D326-T329 VanDerWaalsContact OD2-N 3.1Å; D326-T329 PolarHBondContact OD2-OG1 2.94Å; T329-N331 PolarHBondContact O-N 2.85Å; T329-N331 WeakPolarHBondContact OG1-CB 3.5Å; T329-N331 PolarHBondContact OG1-N 2.98Å |
| 330 | G | 92.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | 74.7 | 9.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | I295 D326 I332 | I295-G330 PolarHBondContact N-O 3.31Å; D326-G330 VanDerWaalsContact O-CA 3.32Å; D326-G330 WeakPolarHBondContact O-CA 3.3Å; D326-G330 PolarHBondContact O-N 3.37Å; G330-I332 PolarHBondContact O-N 2.8Å | ||
| 331 | N | 95.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 65.6 Ų | 65.6 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123.6 | 176.4 | -175 | -16.7 | 0 | 0 | 0 | 111.1 | E292 L294 L325 D326 T329 | E292-N331 WeakPolarHBondContact CG-OD1 3.36Å; E292-N331 PolarHBondContact OE1-ND2 2.94Å; L294-N331 HydrophobicContact CD2-CB 3.85Å; L325-N331 WeakPolarHBondContact CA-O 3.43Å; D326-N331 PolarHBondContact N-O 3.37Å; T329-N331 PolarHBondContact O-N 2.85Å; T329-N331 WeakPolarHBondContact OG1-CB 3.5Å; T329-N331 PolarHBondContact OG1-N 2.98Å |
| 332 | I | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.9 | 164.6 | -63.1 | -160.8 | 0 | 0 | 0 | 110.3 | E292 F293 I295 A303 V323 K324 L325 G330 I334 L349 | E292-I332 WeakPolarHBondContact CA-O 3.46Å; F293-I332 HydrophobicContact CD1-CB 4.48Å; F293-I332 HydrophobicContact CE1-CB 3.91Å; F293-I332 HydrophobicContact CE1-CG2 3.78Å; F293-I332 HydrophobicContact CE2-CB 4.13Å; F293-I332 HydrophobicContact CZ-CB 3.71Å; F293-I332 HydrophobicContact CZ-CD1 4.46Å; F293-I332 HydrophobicContact CZ-CG1 4.5Å; F293-I332 HydrophobicContact CZ-CG2 3.74Å; F293-I332 PolarHBondContact N-O 3.13Å; F293-I332 PolarHBondContact O-N 2.92Å; I295-I332 HydrophobicContact CD1-CD1 3.42Å; I295-I332 VanDerWaalsContact CD1-CD1 3.42Å; I295-I332 HydrophobicContact CD1-CG1 3.75Å; A303-I332 HydrophobicContact CB-CD1 3.98Å; V323-I332 HydrophobicContact CG1-CG2 4.07Å; K324-I332 CarbonylContact O-C 3.59Å; K324-I332 VanDerWaalsContact O-CA 3.31Å; K324-I332 WeakPolarHBondContact O-CA 3.46Å; L325-I332 HydrophobicContact CB-CD1 4.25Å; L325-I332 HydrophobicContact CB-CG1 4.03Å; L325-I332 HydrophobicContact CD1-CD1 4Å; L325-I332 HydrophobicContact CD1-CG1 3.58Å; L325-I332 HydrophobicContact CG-CD1 4.5Å; L325-I332 HydrophobicContact CG-CG1 4.33Å; G330-I332 PolarHBondContact O-N 2.8Å; I332-I334 HydrophobicContact CG2-CD1 4.34Å; I332-I334 HydrophobicContact CG2-CG1 3.84Å; I332-L349 HydrophobicContact CD1-CB 4.25Å; I332-L349 HydrophobicContact CD1-CD1 4.26Å; I332-L349 HydrophobicContact CG2-CD1 4.17Å |
| 333 | R | 96.6 | Very high | 94.4 | Very high | 125 Ų | 125 | 63.7 Ų | 63.7 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.4 | 171.9 | -173 | -179.4 | 179.6 | 162.7 | -1.4 | 110.5 | V290 E292 K324 | V290-R333 HydrophobicContact CG1-CG 3.85Å; E292-R333 HydrophobicContact CB-CG 4.49Å; E292-R333 HydrophobicContact CG-CB 4Å; E292-R333 HydrophobicContact CG-CG 4.2Å; E292-R333 WeakPolarHBondContact OE2-CD 3.43Å; E292-R333 VanDerWaalsContact OE2-CG 3.29Å; E292-R333 WeakPolarHBondContact OE2-CG 3.2Å; E292-R333 IonicContact OE2-CZ 3.23Å; E292-R333 IonicContact OE2-NE 3.92Å; E292-R333 PolarHBondContact OE2-NE 2.89Å; E292-R333 IonicContact OE2-NH1 2.69Å; K324-R333 PolarHBondContact N-O 3.13Å; K324-R333 PolarHBondContact O-N 2.78Å |
| 334 | I | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.8 | 179.1 | -50.6 | -176.9 | 0 | 0 | 0 | 108.3 | V290 E291 F293 V320 S322 V323 I332 V342 A345 K346 L349 | V290-I334 VanDerWaalsContact CA-O 3.29Å; V290-I334 WeakPolarHBondContact CA-O 3.46Å; E291-I334 HydrophobicContact CB-CB 4.48Å; E291-I334 PolarHBondContact N-O 3.1Å; E291-I334 PolarHBondContact O-N 3.02Å; F293-I334 HydrophobicContact CE1-CD1 3.89Å; F293-I334 HydrophobicContact CE1-CG1 4.27Å; F293-I334 HydrophobicContact CZ-CD1 4.45Å; V320-I334 HydrophobicContact CG1-CG2 4.35Å; S322-I334 WeakPolarHBondContact O-CA 3.37Å; V323-I334 HydrophobicContact CG1-CG1 4.44Å; V323-I334 HydrophobicContact CG2-CG2 4.31Å; I332-I334 HydrophobicContact CG2-CD1 4.34Å; I332-I334 HydrophobicContact CG2-CG1 3.84Å; I334-V342 HydrophobicContact CG2-CB 4.01Å; I334-V342 HydrophobicContact CG2-CG1 3.88Å; I334-A345 HydrophobicContact CD1-CB 3.81Å; I334-A345 HydrophobicContact CG2-CB 3.94Å; I334-K346 HydrophobicContact CD1-CB 4.16Å; I334-L349 HydrophobicContact CD1-CD1 4.13Å |
| 335 | S | 94.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 59.1 Ų | 59.1 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.1 | 172.1 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | F289 L321 S322 | F289-S335 CarbonylContact O-C 3.56Å; F289-S335 VanDerWaalsContact O-CA 3.3Å; F289-S335 WeakPolarHBondContact O-CA 3.45Å; L321-S335 PolarHBondContact N-O 3.17Å; S322-S335 PolarHBondContact N-O 3.26Å; S322-S335 PolarHBondContact N-OG 3.35Å; S322-S335 PolarHBondContact O-N 2.83Å; S322-S335 PolarHBondContact OG-OG 3.4Å |
| 336 | G | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 169.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P288 F289 G319 V342 | P288-G336 CarbonylContact C-O 3.57Å; P288-G336 WeakPolarHBondContact CA-O 3.45Å; P288-G336 WeakPolarHBondContact CB-O 3.49Å; F289-G336 PolarHBondContact N-O 2.9Å; F289-G336 PolarHBondContact O-N 2.86Å; G319-G336 CarbonylContact O-C 3.59Å; G319-G336 WeakPolarHBondContact O-CA 3.24Å; G336-V342 VanDerWaalsContact N-CG1 3.3Å |
| 337 | K | 90.3 | Very high | 94.5 | Very high | 145 Ų | 145 | 62.3 Ų | 62.3 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -76.5 | -21.2 | 178.9 | -61.4 | -177.7 | -178.5 | 177.6 | 0 | 113.7 | F289 G319 L321 | F289-K337 WeakPolarHBondContact CD2-O 3.48Å; F289-K337 WeakPolarHBondContact CE2-O 3.34Å; G319-K337 PolarHBondContact O-N 2.93Å; L321-K337 HydrophobicContact CD1-CG 4.12Å; L321-K337 HydrophobicContact CD2-CG 4.01Å; L321-K337 HydrophobicContact CG-CG 4.11Å |
| 338 | T | 91.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -139.2 | 152 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | F289 D340 A341 V342 | F289-T338 VanDerWaalsContact CD2-C 3.48Å; F289-T338 VanDerWaalsContact CD2-CA 3.44Å; T338-D340 PolarHBondContact O-N 3.14Å; T338-A341 PolarHBondContact O-N 2.97Å; T338-A341 WeakPolarHBondContact OG1-CB 3.48Å; T338-A341 PolarHBondContact OG1-N 2.93Å; T338-V342 PolarHBondContact O-N 2.93Å |
| 339 | Q | 92.7 | Very high | 94.9 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 175.2 | -167.9 | 71.8 | 37.7 | 0 | 0 | 111.5 | F289 E291 V342 K343 | F289-Q339 HydrophobicContact CD1-CB 4.09Å; F289-Q339 HydrophobicContact CE1-CB 4.38Å; F289-Q339 HydrophobicContact CG-CB 4.39Å; E291-Q339 PolarHBondContact OE1-NE2 3.39Å; Q339-V342 WeakPolarHBondContact O-CG2 3.4Å; Q339-V342 PolarHBondContact O-N 3.02Å; Q339-K343 HydrophobicContact CG-CD 3.84Å; Q339-K343 VanDerWaalsContact CG-CE 3.48Å; Q339-K343 HydrophobicContact CG-CG 4.22Å; Q339-K343 WeakPolarHBondContact O-CB 3.47Å; Q339-K343 WeakPolarHBondContact O-CG 3.5Å; Q339-K343 PolarHBondContact O-N 2.82Å |
| 340 | D | 95.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 45 Ų | 45 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -70.9 | -34 | -177.8 | -60.7 | -51.4 | 0 | 0 | 0 | 112.8 | T338 N344 | T338-D340 PolarHBondContact O-N 3.14Å; D340-N344 WeakPolarHBondContact O-CB 3.44Å; D340-N344 PolarHBondContact O-N 3.5Å; D340-N344 PolarHBondContact O-ND2 3.46Å; D340-N344 VanDerWaalsContact O-ND2 3.12Å |
| 341 | A | 95.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | I317 E318 V320 T338 N344 A345 | I317-A341 HydrophobicContact CG2-CB 4.38Å; E318-A341 WeakPolarHBondContact O-CB 3.31Å; V320-A341 HydrophobicContact CG2-CB 4.16Å; T338-A341 PolarHBondContact O-N 2.97Å; T338-A341 WeakPolarHBondContact OG1-CB 3.48Å; T338-A341 PolarHBondContact OG1-N 2.93Å; A341-N344 PolarHBondContact O-N 3.35Å; A341-A345 WeakPolarHBondContact O-CB 3.46Å; A341-A345 PolarHBondContact O-N 3.12Å |
| 342 | V | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.7 | -37.9 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | F289 E291 I334 G336 T338 Q339 A345 K346 | F289-V342 HydrophobicContact CB-CG2 4.05Å; F289-V342 WeakPolarHBondContact O-CG1 3.3Å; E291-V342 HydrophobicContact CB-CB 4.18Å; E291-V342 HydrophobicContact CB-CG2 4.32Å; E291-V342 HydrophobicContact CG-CB 3.79Å; E291-V342 HydrophobicContact CG-CG2 3.46Å; E291-V342 VanDerWaalsContact CG-CG2 3.46Å; I334-V342 HydrophobicContact CG2-CB 4.01Å; I334-V342 HydrophobicContact CG2-CG1 3.88Å; G336-V342 VanDerWaalsContact N-CG1 3.3Å; T338-V342 PolarHBondContact O-N 2.93Å; Q339-V342 WeakPolarHBondContact O-CG2 3.4Å; Q339-V342 PolarHBondContact O-N 3.02Å; V342-A345 PolarHBondContact O-N 3.23Å; V342-K346 WeakPolarHBondContact O-CB 3.3Å; V342-K346 PolarHBondContact O-N 2.75Å |
| 343 | K | 96.4 | Very high | 95 | Very high | 94 Ų | 94 | 48.8 Ų | 48.8 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 173.3 | -77.9 | 177.1 | 176.1 | 171.7 | 0 | 112.6 | E291 Q339 K346 K347 | E291-K343 VanDerWaalsContact OE1-CG 3.23Å; E291-K343 WeakPolarHBondContact OE1-CG 3.39Å; Q339-K343 HydrophobicContact CG-CD 3.84Å; Q339-K343 VanDerWaalsContact CG-CE 3.48Å; Q339-K343 HydrophobicContact CG-CG 4.22Å; Q339-K343 WeakPolarHBondContact O-CB 3.47Å; Q339-K343 WeakPolarHBondContact O-CG 3.5Å; Q339-K343 PolarHBondContact O-N 2.82Å; K343-K346 WeakPolarHBondContact O-CB 3.19Å; K343-K346 PolarHBondContact O-N 2.69Å; K343-K347 WeakPolarHBondContact O-CG 3.28Å; K343-K347 PolarHBondContact O-N 2.83Å; K343-K347 VanDerWaalsContact O-N 3.16Å |
| 344 | N | 96.1 | Very high | 94.8 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.8 | -32.5 | 178.5 | -70.1 | -27.8 | 0 | 0 | 0 | 112.1 | I317 D340 A341 K347 | I317-N344 HydrophobicContact CD1-CB 4.19Å; D340-N344 WeakPolarHBondContact O-CB 3.44Å; D340-N344 PolarHBondContact O-N 3.5Å; D340-N344 PolarHBondContact O-ND2 3.46Å; D340-N344 VanDerWaalsContact O-ND2 3.12Å; A341-N344 PolarHBondContact O-N 3.35Å; N344-K347 PolarHBondContact OD1-NZ 2.83Å |
| 345 | A | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A314 I317 V320 I334 A341 V342 L348 L349 | A314-A345 HydrophobicContact CB-CB 4.16Å; I317-A345 HydrophobicContact CD1-CB 4.03Å; V320-A345 HydrophobicContact CG2-CB 3.95Å; I334-A345 HydrophobicContact CD1-CB 3.81Å; I334-A345 HydrophobicContact CG2-CB 3.94Å; A341-A345 WeakPolarHBondContact O-CB 3.46Å; A341-A345 PolarHBondContact O-N 3.12Å; V342-A345 PolarHBondContact O-N 3.23Å; A345-L348 PolarHBondContact O-N 3.08Å; A345-L349 WeakPolarHBondContact O-CG 3.34Å |
| 346 | K | 97 | Very high | 94.3 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 173.6 | -176.3 | 163.4 | -179.2 | 167 | 0 | 111.9 | E291 F293 I334 V342 K343 L348 L349 D350 | E291-K346 HydrophobicContact CB-CD 4.15Å; E291-K346 HydrophobicContact CG-CD 4.33Å; E291-K346 VanDerWaalsContact OE2-CD 3.22Å; E291-K346 WeakPolarHBondContact OE2-CD 3.31Å; E291-K346 IonicContact OE2-NZ 3.74Å; E291-K346 PolarHBondContact OE2-NZ 3.34Å; F293-K346 HydrophobicContact CD1-CD 3.9Å; F293-K346 HydrophobicContact CD1-CG 3.9Å; F293-K346 HydrophobicContact CE1-CB 4.2Å; F293-K346 HydrophobicContact CE1-CD 4.18Å; F293-K346 HydrophobicContact CE1-CG 3.73Å; F293-K346 HydrophobicContact CZ-CG 4.18Å; I334-K346 HydrophobicContact CD1-CB 4.16Å; V342-K346 WeakPolarHBondContact O-CB 3.3Å; V342-K346 PolarHBondContact O-N 2.75Å; K343-K346 WeakPolarHBondContact O-CB 3.19Å; K343-K346 PolarHBondContact O-N 2.69Å; K346-L348 PolarHBondContact O-N 3.46Å; K346-L349 CarbonylContact O-C 3.18Å; K346-L349 PolarHBondContact O-N 2.85Å; K346-D350 HydrophobicContact CG-CB 4.41Å; K346-D350 WeakPolarHBondContact O-CB 3.49Å; K346-D350 VanDerWaalsContact O-CG 3.28Å; K346-D350 PolarHBondContact O-N 2.82Å |
| 347 | K | 94.8 | Very high | 94.1 | Very high | 112 Ų | 112 | 52 Ų | 52 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -13.9 | 176.4 | -65.7 | 168.7 | -166.4 | 167.3 | 0 | 115.7 | K343 N344 | K343-K347 WeakPolarHBondContact O-CG 3.28Å; K343-K347 PolarHBondContact O-N 2.83Å; K343-K347 VanDerWaalsContact O-N 3.16Å; N344-K347 PolarHBondContact OD1-NZ 2.83Å |
| 348 | L | 93.9 | Very high | 94 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.4 | 175.2 | -67.8 | -174.8 | 0 | 0 | 0 | 113.1 | R313 A314 I317 A345 K346 F351 | R313-L348 HydrophobicContact CB-CD1 4.12Å; A314-L348 HydrophobicContact CB-CB 4.4Å; A314-L348 HydrophobicContact CB-CD1 4.5Å; I317-L348 HydrophobicContact CD1-CD1 3.8Å; A345-L348 PolarHBondContact O-N 3.08Å; K346-L348 PolarHBondContact O-N 3.46Å; L348-F351 WeakPolarHBondContact O-CE2 3.46Å |
| 349 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | -15.1 | -166.9 | -63.5 | -179.1 | 0 | 0 | 0 | 113.3 | F293 I295 A303 N310 A314 V323 I332 I334 A345 K346 F351 | F293-L349 HydrophobicContact CE2-CB 4.45Å; F293-L349 HydrophobicContact CZ-CB 3.86Å; I295-L349 WeakPolarHBondContact CD1-O 3.47Å; A303-L349 HydrophobicContact CB-CD2 4.3Å; A303-L349 WeakPolarHBondContact O-CD2 3.47Å; N310-L349 HydrophobicContact CB-CD2 4.38Å; A314-L349 HydrophobicContact CB-CD1 3.53Å; A314-L349 HydrophobicContact CB-CD2 4.07Å; A314-L349 HydrophobicContact CB-CG 3.75Å; V323-L349 HydrophobicContact CG1-CD1 3.79Å; I332-L349 HydrophobicContact CD1-CB 4.25Å; I332-L349 HydrophobicContact CD1-CD1 4.26Å; I332-L349 HydrophobicContact CG2-CD1 4.17Å; I334-L349 HydrophobicContact CD1-CD1 4.13Å; A345-L349 WeakPolarHBondContact O-CG 3.34Å; K346-L349 CarbonylContact O-C 3.18Å; K346-L349 PolarHBondContact O-N 2.85Å; L349-F351 PolarHBondContact O-N 2.97Å |
| 350 | D | 95.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | trans | -73.4 | 50.6 | -179.6 | 62 | -2.3 | 0 | 0 | 0 | 113.5 | F293 K346 S352 T406 Q407 | F293-D350 HydrophobicContact CE2-CB 4.14Å; K346-D350 HydrophobicContact CG-CB 4.41Å; K346-D350 WeakPolarHBondContact O-CB 3.49Å; K346-D350 VanDerWaalsContact O-CG 3.28Å; K346-D350 PolarHBondContact O-N 2.82Å; D350-S352 PolarHBondContact O-N 3.2Å; D350-T406 WeakPolarHBondContact O-CA 3.38Å; D350-T406 VanDerWaalsContact OD1-CB 3.26Å; D350-T406 WeakPolarHBondContact OD1-CB 3.49Å; D350-Q407 HydrophobicContact CB-CG 4.4Å; D350-Q407 PolarHBondContact O-N 3.21Å | ||
| 351 | F | 95.5 | Very high | 93.1 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 132.6 | 175.5 | -73.4 | -83.3 | 0 | 0 | 0 | 111.4 | L299 Y302 A303 L348 L349 V384 G405 T406 | L299-F351 HydrophobicContact CB-CB 4.41Å; Y302-F351 HydrophobicContact CG-CD1 4.27Å; Y302-F351 WeakPolarHBondContact O-CE2 3.47Å; A303-F351 HydrophobicContact CB-CD2 3.95Å; L348-F351 WeakPolarHBondContact O-CE2 3.46Å; L349-F351 PolarHBondContact O-N 2.97Å; F351-V384 HydrophobicContact CD1-CG2 4.29Å; F351-V384 HydrophobicContact CE1-CG2 3.73Å; F351-G405 CarbonylContact C-O 3.58Å; F351-G405 VanDerWaalsContact CA-O 3.3Å; F351-G405 WeakPolarHBondContact CA-O 3.38Å; F351-T406 HydrophobicContact CD1-CG2 4.28Å; F351-T406 HydrophobicContact CD2-CG2 4.43Å; F351-T406 HydrophobicContact CE1-CG2 3.92Å; F351-T406 HydrophobicContact CE2-CG2 4.1Å; F351-T406 HydrophobicContact CZ-CG2 3.83Å |
| 352 | S | 95.5 | Very high | 92.8 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 177.3 | -176.5 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | D350 G405 Q407 I410 | D350-S352 PolarHBondContact O-N 3.2Å; S352-G405 PolarHBondContact N-O 3.11Å; S352-G405 PolarHBondContact O-N 2.7Å; S352-G405 VanDerWaalsContact O-O 3.13Å; S352-Q407 VanDerWaalsContact OG-CG 3.28Å; S352-Q407 WeakPolarHBondContact OG-CG 3.41Å; S352-I410 WeakPolarHBondContact O-CD1 3.44Å |
| 353 | Q | 94 | Very high | 92.4 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140 | 176.5 | 179.7 | 175.7 | 95.8 | 0 | 0 | 109 | L299 Q402 L403 T404 | L299-Q353 HydrophobicContact CD1-CB 3.99Å; Q353-Q402 VanDerWaalsContact CD-NE2 3.33Å; Q353-Q402 HydrophobicContact CG-CG 3.84Å; Q353-L403 VanDerWaalsContact CA-O 3.24Å; Q353-L403 WeakPolarHBondContact CA-O 3.13Å; Q353-L403 WeakPolarHBondContact CG-O 3.4Å; Q353-T404 PolarHBondContact NE2-OG1 2.66Å |
| 354 | D | 93.6 | Very high | 91.9 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164.8 | -177.4 | -157.3 | -13.1 | 0 | 0 | 0 | 110.2 | Q402 L403 I410 Q414 | D354-Q402 CarbonylContact O-C 3.59Å; D354-Q402 WeakPolarHBondContact O-CA 3.47Å; D354-L403 PolarHBondContact N-O 3.03Å; D354-L403 PolarHBondContact O-N 3.11Å; D354-I410 HydrophobicContact CB-CG2 3.78Å; D354-Q414 PolarHBondContact OD2-NE2 2.96Å |
| 355 | I | 91.1 | Very high | 91.4 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 45% | 0.446 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 114.7 | -176.5 | -59.1 | 178.5 | 0 | 0 | 0 | 110.1 | ||
| 356 | F | 90 | Very high | 90.9 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.3 | 176.6 | -166.3 | -93.8 | 0 | 0 | 0 | 110.6 | I358 F401 L403 Q414 L417 E418 I439 | F356-I358 HydrophobicContact CD1-CD1 4.09Å; F356-I358 HydrophobicContact CD1-CG1 3.66Å; F356-I358 HydrophobicContact CE1-CD1 4.35Å; F356-I358 HydrophobicContact CE1-CG1 3.92Å; F356-F401 HydrophobicContact CB-CB 4.49Å; F356-F401 PolarHBondContact N-O 3.12Å; F356-F401 WeakPolarHBondContact O-CB 3.47Å; F356-F401 PolarHBondContact O-N 3.16Å; F356-L403 HydrophobicContact CB-CD1 4.22Å; F356-Q414 HydrophobicContact CD2-CB 4.33Å; F356-Q414 HydrophobicContact CD2-CG 4Å; F356-Q414 HydrophobicContact CE2-CB 4.42Å; F356-L417 HydrophobicContact CB-CD1 4.42Å; F356-L417 HydrophobicContact CD1-CB 3.84Å; F356-L417 HydrophobicContact CD1-CD1 3.83Å; F356-L417 HydrophobicContact CD1-CG 4.48Å; F356-L417 HydrophobicContact CE1-CB 3.47Å; F356-L417 VanDerWaalsContact CE1-CB 3.47Å; F356-L417 HydrophobicContact CE1-CD1 4.36Å; F356-L417 HydrophobicContact CG-CD1 4.21Å; F356-L417 HydrophobicContact CZ-CB 3.94Å; F356-E418 HydrophobicContact CE2-CG 3.69Å; F356-E418 HydrophobicContact CZ-CB 4.47Å; F356-E418 HydrophobicContact CZ-CG 3.55Å; F356-I439 HydrophobicContact CE1-CD1 3.95Å; F356-I439 HydrophobicContact CE1-CG1 4.03Å; F356-I439 HydrophobicContact CZ-CD1 3.57Å; F356-I439 HydrophobicContact CZ-CG1 3.99Å; F356-I439 HydrophobicContact CZ-CG2 4.22Å |
| 357 | Q | 89.2 | Confident | 90.2 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.4 | -176.3 | -76.3 | 174.2 | -51.6 | 0 | 0 | 112.3 | S391 V399 L440 | Q357-S391 PolarHBondContact NE2-OG 3.41Å; Q357-V399 WeakPolarHBondContact CA-O 3.37Å; Q357-L440 HydrophobicContact CB-CB 4.37Å; Q357-L440 HydrophobicContact CB-CD1 4.47Å |
| 358 | I | 88 | Confident | 89.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.2 | -177.1 | -54.7 | -171.1 | 0 | 0 | 0 | 110.5 | F356 V363 I366 H398 V399 F401 L417 V421 | F356-I358 HydrophobicContact CD1-CD1 4.09Å; F356-I358 HydrophobicContact CD1-CG1 3.66Å; F356-I358 HydrophobicContact CE1-CD1 4.35Å; F356-I358 HydrophobicContact CE1-CG1 3.92Å; I358-V363 HydrophobicContact CB-CG2 4.33Å; I358-V363 HydrophobicContact CG2-CG2 4.06Å; I358-I366 HydrophobicContact CD1-CD1 4.31Å; I358-I366 HydrophobicContact CG2-CD1 3.84Å; I358-H398 WeakPolarHBondContact O-CA 3.48Å; I358-V399 PolarHBondContact N-O 2.98Å; I358-V399 PolarHBondContact O-N 2.88Å; I358-F401 HydrophobicContact CB-CD2 4.36Å; I358-F401 HydrophobicContact CB-CE2 4.26Å; I358-F401 HydrophobicContact CD1-CD1 3.72Å; I358-F401 HydrophobicContact CD1-CD2 3.8Å; I358-F401 HydrophobicContact CD1-CE1 3.75Å; I358-F401 HydrophobicContact CD1-CE2 3.83Å; I358-F401 HydrophobicContact CD1-CG 3.78Å; I358-F401 HydrophobicContact CD1-CZ 3.82Å; I358-F401 HydrophobicContact CG1-CD2 4.03Å; I358-F401 HydrophobicContact CG1-CE2 4.26Å; I358-F401 HydrophobicContact CG1-CG 4.29Å; I358-L417 HydrophobicContact CD1-CD1 4.32Å; I358-L417 HydrophobicContact CD1-CD2 3.96Å; I358-L417 HydrophobicContact CD1-CG 4.5Å; I358-V421 HydrophobicContact CG2-CG2 4.21Å |
| 359 | P | 88.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 138.7 | 170.6 | -25.4 | 34.8 | 0 | 0 | 0 | 113.2 | S361 Y362 V363 P437 S438 | P359-S361 PolarHBondContact O-N 3.15Å; P359-Y362 HydrophobicContact CB-CD2 4.08Å; P359-Y362 HydrophobicContact CG-CD2 4.05Å; P359-Y362 PolarHBondContact O-N 2.96Å; P359-V363 PolarHBondContact O-N 3.2Å; P359-P437 HydrophobicContact CB-CB 3.59Å; P359-P437 HydrophobicContact CG-CB 3.84Å; P359-S438 WeakPolarHBondContact CG-O 3.43Å |
| 360 | K | 86.3 | Confident | 87.1 | Confident | 90 Ų | 90 | 41.4 Ų | 41.4 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -32.5 | -176.1 | -79.5 | 167.2 | -160.1 | 171.1 | 0 | 113.7 | Y362 D395 R396 E397 H398 V399 | K360-Y362 PolarHBondContact O-N 3.32Å; K360-D395 PolarHBondContact NZ-O 2.95Å; K360-R396 VanDerWaalsContact CD-O 3.26Å; K360-R396 WeakPolarHBondContact CD-O 3.49Å; K360-R396 WeakPolarHBondContact CE-O 3.4Å; K360-R396 PolarHBondContact NZ-O 2.96Å; K360-E397 WeakPolarHBondContact CB-O 3.24Å; K360-E397 VanDerWaalsContact CG-O 3.25Å; K360-E397 WeakPolarHBondContact CG-O 3.47Å; K360-E397 PolarHBondContact N-O 2.69Å; K360-H398 VanDerWaalsContact CE-C 3.48Å; K360-H398 WeakPolarHBondContact CE-O 3.38Å; K360-H398 PolarHBondContact NZ-O 2.94Å; K360-V399 HydrophobicContact CD-CG2 4.2Å; K360-V399 HydrophobicContact CG-CG2 3.52Å |
| 361 | S | 85.7 | Confident | 86.2 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 44% | 0.441 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.1 | -38.2 | 171 | 49 | 0 | 0 | 0 | 0 | 112.7 | P359 P365 | P359-S361 PolarHBondContact O-N 3.15Å; S361-P365 VanDerWaalsContact O-CD 3.3Å; S361-P365 WeakPolarHBondContact O-CD 3.36Å |
| 362 | Y | 89.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -95.1 | -16.2 | -172.2 | -60.7 | -25.4 | 0 | 0 | 0 | 114.2 | P359 K360 G364 P365 I366 V421 L424 Q425 D428 P436 P437 | P359-Y362 HydrophobicContact CB-CD2 4.08Å; P359-Y362 HydrophobicContact CG-CD2 4.05Å; P359-Y362 PolarHBondContact O-N 2.96Å; K360-Y362 PolarHBondContact O-N 3.32Å; Y362-G364 VanDerWaalsContact C-N 3.28Å; Y362-G364 PolarHBondContact O-N 3.12Å; Y362-P365 WeakPolarHBondContact O-CD 3.38Å; Y362-I366 VanDerWaalsContact O-CB 3.31Å; Y362-I366 WeakPolarHBondContact O-CB 3.47Å; Y362-I366 WeakPolarHBondContact O-CG1 3.34Å; Y362-I366 PolarHBondContact O-N 2.93Å; Y362-V421 HydrophobicContact CD2-CG1 3.87Å; Y362-V421 HydrophobicContact CD2-CG2 4.35Å; Y362-V421 HydrophobicContact CE2-CG1 4.09Å; Y362-L424 HydrophobicContact CD1-CB 3.76Å; Y362-L424 HydrophobicContact CD1-CD1 3.9Å; Y362-L424 HydrophobicContact CD1-CG 4.32Å; Y362-L424 HydrophobicContact CD2-CB 4.28Å; Y362-L424 HydrophobicContact CE1-CB 3.73Å; Y362-L424 HydrophobicContact CE2-CB 4.22Å; Y362-L424 HydrophobicContact CG-CB 4.06Å; Y362-L424 HydrophobicContact CG-CD1 3.84Å; Y362-Q425 HydrophobicContact CE2-CG 3.98Å; Y362-D428 WeakPolarHBondContact CE1-OD2 3.24Å; Y362-D428 PolarHBondContact OH-OD2 2.74Å; Y362-P436 WeakPolarHBondContact OH-CB 3.37Å; Y362-P437 HydrophobicContact CE2-CB 4.45Å; Y362-P437 WeakPolarHBondContact CE2-O 3.3Å |
| 363 | V | 87.2 | Confident | 84.6 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.6 | -41.9 | 174 | 176 | 0 | 0 | 0 | 0 | 112 | I358 P359 L367 V399 F401 | I358-V363 HydrophobicContact CB-CG2 4.33Å; I358-V363 HydrophobicContact CG2-CG2 4.06Å; P359-V363 PolarHBondContact O-N 3.2Å; V363-L367 HydrophobicContact CG1-CD1 3.65Å; V363-L367 HydrophobicContact CG1-CG 4.23Å; V363-L367 WeakPolarHBondContact O-CB 3.41Å; V363-L367 WeakPolarHBondContact O-CG 3.19Å; V363-L367 PolarHBondContact O-N 3.47Å; V363-L367 VanDerWaalsContact O-N 3.12Å; V363-V399 HydrophobicContact CG2-CB 3.93Å; V363-V399 HydrophobicContact CG2-CG1 4.24Å; V363-V399 HydrophobicContact CG2-CG2 4.17Å; V363-F401 HydrophobicContact CG1-CE2 4.3Å; V363-F401 HydrophobicContact CG1-CZ 4.18Å; V363-F401 HydrophobicContact CG2-CE2 3.98Å; V363-F401 HydrophobicContact CG2-CZ 4.39Å |
| 364 | G | 85.6 | Confident | 84 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -59.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y362 I366 G368 | Y362-G364 VanDerWaalsContact C-N 3.28Å; Y362-G364 PolarHBondContact O-N 3.12Å; G364-I366 PolarHBondContact O-N 3.4Å; G364-G368 PolarHBondContact O-N 3.18Å |
| 365 | P | 86.3 | Confident | 83.5 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.2 | -46.5 | 174.7 | -30 | 35.9 | 0 | 0 | 0 | 114.7 | S361 Y362 G368 L424 | S361-P365 VanDerWaalsContact O-CD 3.3Å; S361-P365 WeakPolarHBondContact O-CD 3.36Å; Y362-P365 WeakPolarHBondContact O-CD 3.38Å; P365-G368 PolarHBondContact O-N 2.76Å; P365-L424 HydrophobicContact CB-CD1 3.86Å; P365-L424 HydrophobicContact CB-CD2 3.81Å; P365-L424 HydrophobicContact CG-CD2 4.3Å |
| 366 | I | 86.3 | Confident | 83 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | -174.4 | -68.2 | 174 | 0 | 0 | 0 | 112.3 | I358 Y362 G364 L417 Q420 V421 L424 | I358-I366 HydrophobicContact CD1-CD1 4.31Å; I358-I366 HydrophobicContact CG2-CD1 3.84Å; Y362-I366 VanDerWaalsContact O-CB 3.31Å; Y362-I366 WeakPolarHBondContact O-CB 3.47Å; Y362-I366 WeakPolarHBondContact O-CG1 3.34Å; Y362-I366 PolarHBondContact O-N 2.93Å; G364-I366 PolarHBondContact O-N 3.4Å; I366-L417 HydrophobicContact CG2-CD2 3.77Å; I366-Q420 HydrophobicContact CD1-CB 4.1Å; I366-Q420 HydrophobicContact CG1-CB 3.96Å; I366-V421 HydrophobicContact CD1-CG2 3.72Å; I366-L424 HydrophobicContact CD1-CD1 4.04Å; I366-L424 HydrophobicContact CG1-CD1 3.69Å |
| 367 | L | 83.3 | Confident | 82.6 | Confident | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 174.7 | -65.2 | 178.2 | 0 | 0 | 0 | 111.3 | V363 R371 H373 V374 I388 F401 | V363-L367 HydrophobicContact CG1-CD1 3.65Å; V363-L367 HydrophobicContact CG1-CG 4.23Å; V363-L367 WeakPolarHBondContact O-CB 3.41Å; V363-L367 WeakPolarHBondContact O-CG 3.19Å; V363-L367 PolarHBondContact O-N 3.47Å; V363-L367 VanDerWaalsContact O-N 3.12Å; L367-R371 HydrophobicContact CB-CG 4.39Å; L367-R371 HydrophobicContact CD1-CG 4.44Å; L367-R371 HydrophobicContact CD2-CG 4.49Å; L367-R371 CarbonylContact O-C 3.54Å; L367-R371 WeakPolarHBondContact O-CA 3.36Å; L367-H373 WeakPolarHBondContact O-CB 3.37Å; L367-H373 PolarHBondContact O-N 3.36Å; L367-V374 HydrophobicContact CD2-CB 4.19Å; L367-V374 HydrophobicContact CD2-CG1 3.55Å; L367-I388 HydrophobicContact CD1-CD1 3.81Å; L367-I388 HydrophobicContact CD2-CD1 3.81Å; L367-I388 HydrophobicContact CG-CD1 4.43Å; L367-F401 HydrophobicContact CD2-CE1 3.91Å; L367-F401 HydrophobicContact CD2-CZ 3.97Å; L367-F401 HydrophobicContact CG-CZ 4.34Å |
| 368 | G | 77.7 | Confident | 82.3 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | trans | 68.2 | 176.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G364 P365 G370 R371 | G364-G368 PolarHBondContact O-N 3.18Å; P365-G368 PolarHBondContact O-N 2.76Å; G368-G370 PolarHBondContact O-N 3.01Å; G368-R371 PolarHBondContact O-N 2.91Å; G368-R371 VanDerWaalsContact O-N 3.1Å | ||
| 369 | S | 74 | Confident | 82.1 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -59.9 | 122 | 179.6 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | R371 R372 | S369-R371 VanDerWaalsContact C-N 3.28Å; S369-R371 PolarHBondContact O-N 3.11Å; S369-R372 PolarHBondContact O-N 3.1Å |
| 370 | G | 68.2 | Low | 82 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 75% | 0.753 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | 63.7 | 25.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G368 R372 | G368-G370 PolarHBondContact O-N 3.01Å; G370-R372 PolarHBondContact O-N 3.37Å; G370-R372 VanDerWaalsContact O-N 3.15Å |
| 371 | R | 74.8 | Confident | 82.1 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | 62.3 | 12.1 | -178.1 | -52.6 | -172.7 | -178.5 | -160.1 | 0.2 | 115.5 | L367 G368 S369 H373 V374 Q375 | L367-R371 HydrophobicContact CB-CG 4.39Å; L367-R371 HydrophobicContact CD1-CG 4.44Å; L367-R371 HydrophobicContact CD2-CG 4.49Å; L367-R371 CarbonylContact O-C 3.54Å; L367-R371 WeakPolarHBondContact O-CA 3.36Å; G368-R371 PolarHBondContact O-N 2.91Å; G368-R371 VanDerWaalsContact O-N 3.1Å; S369-R371 VanDerWaalsContact C-N 3.28Å; S369-R371 PolarHBondContact O-N 3.11Å; R371-H373 VanDerWaalsContact C-N 3.31Å; R371-H373 PolarHBondContact O-N 2.88Å; R371-V374 HydrophobicContact CB-CG1 4.3Å; R371-V374 WeakPolarHBondContact O-CG1 3.31Å; R371-Q375 WeakPolarHBondContact O-CB 3.2Å; R371-Q375 PolarHBondContact O-N 2.85Å; R371-Q375 VanDerWaalsContact O-N 3.11Å |
| 372 | R | 80.5 | Confident | 82.1 | Confident | 201 Ų | 201 | 67.2 Ų | 67.2 | 76% | 0.758 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.8 | -33.9 | -174.2 | -68.2 | -176.1 | -179.8 | -168 | 2.2 | 113.6 | S369 G370 H376 | S369-R372 PolarHBondContact O-N 3.1Å; G370-R372 PolarHBondContact O-N 3.37Å; G370-R372 VanDerWaalsContact O-N 3.15Å; R372-H376 WeakPolarHBondContact O-CB 3.2Å; R372-H376 PolarHBondContact O-N 3.01Å |
| 373 | H | 78 | Confident | 82.2 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -54 | -177.5 | -167.9 | 122.9 | 0 | 0 | 0 | 110.2 | L367 R371 Q375 F416 | L367-H373 WeakPolarHBondContact O-CB 3.37Å; L367-H373 PolarHBondContact O-N 3.36Å; R371-H373 VanDerWaalsContact C-N 3.31Å; R371-H373 PolarHBondContact O-N 2.88Å; H373-Q375 PolarHBondContact O-N 2.82Å; H373-F416 AromaticContact CD2-CZ 3.97Å; H373-F416 AromaticContact NE2-CZ 3.83Å |
| 374 | V | 81.5 | Confident | 82.4 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | -179.8 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | L367 R371 H376 I377 V378 I386 | L367-V374 HydrophobicContact CD2-CB 4.19Å; L367-V374 HydrophobicContact CD2-CG1 3.55Å; R371-V374 HydrophobicContact CB-CG1 4.3Å; R371-V374 WeakPolarHBondContact O-CG1 3.31Å; V374-H376 PolarHBondContact O-N 3.31Å; V374-I377 PolarHBondContact O-N 2.91Å; V374-I377 VanDerWaalsContact O-N 3.12Å; V374-V378 HydrophobicContact CG2-CG2 4.32Å; V374-V378 WeakPolarHBondContact O-CG2 3.41Å; V374-V378 PolarHBondContact O-N 2.87Å; V374-I386 HydrophobicContact CG2-CD1 3.72Å |
| 375 | Q | 82 | Confident | 82.5 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | -176.8 | -170.5 | 62.6 | 53 | 0 | 0 | 111.8 | R371 H373 I377 V378 D379 | R371-Q375 WeakPolarHBondContact O-CB 3.2Å; R371-Q375 PolarHBondContact O-N 2.85Å; R371-Q375 VanDerWaalsContact O-N 3.11Å; H373-Q375 PolarHBondContact O-N 2.82Å; Q375-I377 PolarHBondContact O-N 3.23Å; Q375-I377 VanDerWaalsContact O-N 3.07Å; Q375-V378 WeakPolarHBondContact O-CB 3.2Å; Q375-V378 PolarHBondContact O-N 2.77Å; Q375-D379 PolarHBondContact NE2-OD1 2.75Å; Q375-D379 WeakPolarHBondContact O-CB 3.4Å; Q375-D379 PolarHBondContact O-N 3.13Å |
| 376 | H | 82.1 | Confident | 82.7 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.9 | -23.6 | 177 | 170.1 | -116.6 | 0 | 0 | 0 | 113.4 | R372 V374 R380 | R372-H376 WeakPolarHBondContact O-CB 3.2Å; R372-H376 PolarHBondContact O-N 3.01Å; V374-H376 PolarHBondContact O-N 3.31Å; H376-R380 PolarHBondContact CE1-NH2 3.44Å; H376-R380 WeakPolarHBondContact O-CB 3.4Å; H376-R380 PolarHBondContact O-N 2.86Å |
| 377 | I | 80.1 | Confident | 82.8 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -95 | -35.4 | -179.4 | -64.1 | 177.3 | 0 | 0 | 0 | 111.2 | V374 Q375 D379 R380 V381 F416 | V374-I377 PolarHBondContact O-N 2.91Å; V374-I377 VanDerWaalsContact O-N 3.12Å; Q375-I377 PolarHBondContact O-N 3.23Å; Q375-I377 VanDerWaalsContact O-N 3.07Å; I377-D379 VanDerWaalsContact C-N 3.3Å; I377-D379 PolarHBondContact O-N 2.84Å; I377-R380 PolarHBondContact O-N 2.68Å; I377-V381 HydrophobicContact CG2-CG2 4.42Å; I377-V381 WeakPolarHBondContact O-CB 3.41Å; I377-V381 WeakPolarHBondContact O-CG2 3.45Å; I377-V381 PolarHBondContact O-N 2.85Å; I377-F416 HydrophobicContact CB-CE1 4.42Å; I377-F416 HydrophobicContact CD1-CD2 4.08Å; I377-F416 HydrophobicContact CD1-CE1 4.09Å; I377-F416 HydrophobicContact CD1-CE2 3.32Å; I377-F416 HydrophobicContact CD1-CZ 3.33Å; I377-F416 HydrophobicContact CG1-CZ 4.47Å; I377-F416 HydrophobicContact CG2-CD1 3.83Å; I377-F416 HydrophobicContact CG2-CD2 4.05Å; I377-F416 HydrophobicContact CG2-CE1 4.05Å; I377-F416 HydrophobicContact CG2-CE2 4.26Å; I377-F416 HydrophobicContact CG2-CG 3.83Å; I377-F416 HydrophobicContact CG2-CZ 4.27Å |
| 378 | V | 82.8 | Confident | 83 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.024 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -53.4 | -48.2 | 162.9 | 165.5 | 0 | 0 | 0 | 0 | 110.6 | V374 Q375 R380 V381 G382 L383 I386 | V374-V378 HydrophobicContact CG2-CG2 4.32Å; V374-V378 WeakPolarHBondContact O-CG2 3.41Å; V374-V378 PolarHBondContact O-N 2.87Å; Q375-V378 WeakPolarHBondContact O-CB 3.2Å; Q375-V378 PolarHBondContact O-N 2.77Å; V378-R380 PolarHBondContact O-N 2.89Å; V378-V381 PolarHBondContact O-N 2.69Å; V378-G382 PolarHBondContact O-N 2.69Å; V378-L383 HydrophobicContact CG1-CB 4.14Å; V378-L383 HydrophobicContact CG1-CD2 4.46Å; V378-L383 WeakPolarHBondContact CG1-O 3.27Å; V378-L383 HydrophobicContact CG2-CD2 4.07Å; V378-L383 PolarHBondContact O-N 2.86Å; V378-L383 VanDerWaalsContact O-N 3.14Å; V378-I386 HydrophobicContact CG2-CD1 3.53Å; V378-I386 HydrophobicContact CG2-CG1 3.77Å |
| 379 | D | 84.3 | Confident | 83.2 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.1 | -37.5 | 178.1 | -62.5 | -19 | 0 | 0 | 0 | 112.1 | Q375 I377 | Q375-D379 PolarHBondContact NE2-OD1 2.75Å; Q375-D379 WeakPolarHBondContact O-CB 3.4Å; Q375-D379 PolarHBondContact O-N 3.13Å; I377-D379 VanDerWaalsContact C-N 3.3Å; I377-D379 PolarHBondContact O-N 2.84Å |
| 380 | R | 86.2 | Confident | 83 | Confident | 183 Ų | 183 | 79 Ų | 79 | 69% | 0.691 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | 177.3 | 179.3 | -176.4 | -67.6 | -161.7 | -4.8 | 112.7 | H376 I377 V378 | H376-R380 PolarHBondContact CE1-NH2 3.44Å; H376-R380 WeakPolarHBondContact O-CB 3.4Å; H376-R380 PolarHBondContact O-N 2.86Å; I377-R380 PolarHBondContact O-N 2.68Å; V378-R380 PolarHBondContact O-N 2.89Å |
| 381 | V | 87.8 | Confident | 82.9 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -81.6 | -19.1 | -178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | I377 V378 A409 D412 | I377-V381 HydrophobicContact CG2-CG2 4.42Å; I377-V381 WeakPolarHBondContact O-CB 3.41Å; I377-V381 WeakPolarHBondContact O-CG2 3.45Å; I377-V381 PolarHBondContact O-N 2.85Å; V378-V381 PolarHBondContact O-N 2.69Å; V381-A409 HydrophobicContact CG1-CB 3.95Å; V381-A409 VanDerWaalsContact CG1-O 3.23Å; V381-A409 WeakPolarHBondContact CG1-O 3.44Å; V381-D412 HydrophobicContact CG1-CB 3.67Å; V381-D412 HydrophobicContact CG2-CB 4.35Å |
| 382 | G | 86.8 | Confident | 82.2 | Confident | 51 Ų | 51 | 75 Ų | 75 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 21.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V378 | V378-G382 PolarHBondContact O-N 2.69Š|
| 383 | L | 91.5 | Very high | 81.3 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | trans | -67.5 | 137.6 | 173.3 | -174.3 | 83.7 | 0 | 0 | 0 | 109.2 | V378 G385 I386 L403 T404 A409 I410 T413 | V378-L383 HydrophobicContact CG1-CB 4.14Å; V378-L383 HydrophobicContact CG1-CD2 4.46Å; V378-L383 WeakPolarHBondContact CG1-O 3.27Å; V378-L383 HydrophobicContact CG2-CD2 4.07Å; V378-L383 PolarHBondContact O-N 2.86Å; V378-L383 VanDerWaalsContact O-N 3.14Å; L383-G385 VanDerWaalsContact C-N 3.31Å; L383-G385 PolarHBondContact O-N 2.82Å; L383-I386 HydrophobicContact CD2-CD1 4.1Å; L383-I386 HydrophobicContact CD2-CG1 3.52Å; L383-L403 HydrophobicContact CD1-CB 4.4Å; L383-L403 HydrophobicContact CD2-CB 4.45Å; L383-L403 HydrophobicContact CD2-CD2 4.35Å; L383-T404 VanDerWaalsContact CD1-O 3.24Å; L383-T404 WeakPolarHBondContact CD1-O 3.36Å; L383-T404 VanDerWaalsContact CG-O 3.29Å; L383-T404 WeakPolarHBondContact CG-O 3.23Å; L383-A409 HydrophobicContact CB-CB 4.38Å; L383-A409 HydrophobicContact CD1-CB 4.3Å; L383-I410 HydrophobicContact CD1-CG1 3.71Å; L383-T413 HydrophobicContact CD2-CG2 4.04Å | ||
| 384 | V | 90.3 | Very high | 80.4 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | trans | -70.3 | -29.8 | -175.7 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | Y302 F351 T404 | Y302-V384 HydrophobicContact CD1-CG1 4.04Å; Y302-V384 HydrophobicContact CE1-CG1 3.51Å; Y302-V384 HydrophobicContact CE2-CG1 4.26Å; F351-V384 HydrophobicContact CD1-CG2 4.29Å; F351-V384 HydrophobicContact CE1-CG2 3.73Å; V384-T404 WeakPolarHBondContact CA-O 3.48Å; V384-T404 HydrophobicContact CB-CG2 4.49Å; V384-T404 WeakPolarHBondContact CB-O 3.49Å; V384-T404 PolarHBondContact N-O 2.88Å | ||
| 385 | G | 88.9 | Confident | 79.4 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 24% | 0.237 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | 168.7 | 169 | 0 | 0 | 0 | 0 | 0 | 114.3 | L383 T404 | L383-G385 VanDerWaalsContact C-N 3.31Å; L383-G385 PolarHBondContact O-N 2.82Å; G385-T404 PolarHBondContact N-O 3.19Å; G385-T404 PolarHBondContact O-N 2.82Å |
| 386 | I | 89.9 | Confident | 78.8 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.6 | 173.3 | -58.5 | -173.6 | 0 | 0 | 0 | 108.9 | V374 V378 L383 I388 F401 Q402 L403 T413 | V374-I386 HydrophobicContact CG2-CD1 3.72Å; V378-I386 HydrophobicContact CG2-CD1 3.53Å; V378-I386 HydrophobicContact CG2-CG1 3.77Å; L383-I386 HydrophobicContact CD2-CD1 4.1Å; L383-I386 HydrophobicContact CD2-CG1 3.52Å; I386-I388 HydrophobicContact CG2-CG1 4.32Å; I386-F401 HydrophobicContact CD1-CD1 4.49Å; I386-F401 HydrophobicContact CG2-CB 4.05Å; I386-F401 HydrophobicContact CG2-CD1 3.57Å; I386-F401 HydrophobicContact CG2-CE1 4.32Å; I386-F401 HydrophobicContact CG2-CG 4.05Å; I386-Q402 WeakPolarHBondContact CA-O 3.3Å; I386-L403 HydrophobicContact CB-CD2 4.44Å; I386-L403 HydrophobicContact CD1-CD2 3.76Å; I386-L403 HydrophobicContact CG1-CD2 3.69Å; I386-L403 HydrophobicContact CG2-CD2 4.16Å; I386-T413 HydrophobicContact CD1-CG2 4.17Å |
| 387 | K | 88.7 | Confident | 78.7 | Confident | 132 Ų | 132 | 80 Ų | 80 | 57% | 0.574 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.9 | 171.5 | 174.2 | 170.3 | 158.2 | -128.1 | 0 | 109.1 | Q402 | K387-Q402 HydrophobicContact CB-CB 4.21Å; K387-Q402 VanDerWaalsContact CD-OE1 3.32Å; K387-Q402 PolarHBondContact N-O 3.2Å; K387-Q402 WeakPolarHBondContact O-CB 3.37Å; K387-Q402 PolarHBondContact O-N 3.14Å |
| 388 | I | 86.7 | Confident | 78.9 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.9 | -176.3 | -52.7 | -179.4 | 0 | 0 | 0 | 108.4 | L367 I386 V399 F401 | L367-I388 HydrophobicContact CD1-CD1 3.81Å; L367-I388 HydrophobicContact CD2-CD1 3.81Å; L367-I388 HydrophobicContact CG-CD1 4.43Å; I386-I388 HydrophobicContact CG2-CG1 4.32Å; I388-V399 HydrophobicContact CG2-CG1 3.31Å; I388-F401 HydrophobicContact CD1-CE1 4.36Å; I388-F401 HydrophobicContact CD1-CE2 4.37Å; I388-F401 HydrophobicContact CD1-CZ 4.01Å; I388-F401 HydrophobicContact CG1-CE2 4.37Å; I388-F401 HydrophobicContact CG1-CZ 4.35Å; I388-F401 HydrophobicContact CG2-CD2 4.4Å; I388-F401 HydrophobicContact CG2-CE2 4.11Å |
| 389 | S | 81.5 | Confident | 79.1 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 164 | 174.7 | 68 | 0 | 0 | 0 | 0 | 111.4 | V399 S400 | S389-V399 WeakPolarHBondContact O-CG1 3.42Å; S389-S400 PolarHBondContact N-O 2.91Å; S389-S400 PolarHBondContact O-N 3.21Å; S389-S400 WeakPolarHBondContact OG-CB 3.46Å |
| 390 | K | 71.4 | Confident | 79.4 | Confident | 186 Ų | 186 | 75.3 Ų | 75.3 | 81% | 0.809 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 153.9 | 160.2 | -63.2 | -178.3 | -179.6 | -179.2 | 0 | 108.7 | ||
| 391 | S | 65.5 | Low | 79.6 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 12% | 0.119 | 35% | 0.351 | C | S | . | . | trans | -58.1 | 145.6 | 171.6 | -164.6 | 0 | 0 | 0 | 0 | 110.2 | Q357 E393 | Q357-S391 PolarHBondContact NE2-OG 3.41Å; S391-E393 CarbonylContact C-O 3.37Å; S391-E393 VanDerWaalsContact CB-O 3.25Å; S391-E393 WeakPolarHBondContact CB-O 3.48Å; S391-E393 PolarHBondContact OG-O 2.85Å | ||
| 392 | P | 60.5 | Low | 79.8 | Confident | 108 Ų | 108 | 66.1 Ų | 66.1 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -72.4 | -33.4 | 174.2 | 28.3 | -33.7 | 0 | 0 | 0 | 112.4 | ||
| 393 | E | 61 | Low | 80.1 | Confident | 98 Ų | 98 | 63.7 Ų | 63.7 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -72.6 | 147.1 | 162.6 | -42.5 | -86.6 | 76.3 | 0 | 0 | 108.1 | S391 D395 K443 | S391-E393 CarbonylContact C-O 3.37Å; S391-E393 VanDerWaalsContact CB-O 3.25Å; S391-E393 WeakPolarHBondContact CB-O 3.48Å; S391-E393 PolarHBondContact OG-O 2.85Å; E393-D395 PolarHBondContact O-N 2.89Å; E393-K443 IonicContact OE2-NZ 3.21Å; E393-K443 PolarHBondContact OE2-NZ 2.82Å |
| 394 | D | 58.7 | Low | 80.3 | Confident | 126 Ų | 126 | 63.9 Ų | 63.9 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | trans | -72.6 | 35.6 | 177.4 | -167.1 | 35.2 | 0 | 0 | 0 | 113.2 | R396 | D394-R396 WeakPolarHBondContact O-CG 2.96Å; D394-R396 PolarHBondContact O-N 3.47Å; D394-R396 IonicContact OD1-NE 3.57Å; D394-R396 IonicContact OD2-CZ 3.91Å; D394-R396 IonicContact OD2-NE 2.75Å; D394-R396 PolarHBondContact OD2-NE 2.89Å; D394-R396 IonicContact OD2-NH2 2.99Å; D394-R396 PolarHBondContact OD2-NH2 3.19Å | ||
| 395 | D | 61.3 | Low | 80.5 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | trans | -65.1 | 95.3 | 173.9 | -72 | -38.3 | 0 | 0 | 0 | 109.6 | K360 E393 E397 H398 | K360-D395 PolarHBondContact NZ-O 2.95Å; E393-D395 PolarHBondContact O-N 2.89Å; D395-E397 PolarHBondContact O-N 3.45Å; D395-H398 HydrophobicContact CB-CB 4.39Å; D395-H398 PolarHBondContact O-N 2.73Å | ||
| 396 | R | 69.1 | Low | 80.8 | Confident | 198 Ų | 198 | 60.9 Ų | 60.9 | 75% | 0.747 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -3.8 | -179.8 | -61.7 | -168.1 | -176.7 | -179.4 | 5.5 | 113.3 | K360 D394 | K360-R396 VanDerWaalsContact CD-O 3.26Å; K360-R396 WeakPolarHBondContact CD-O 3.49Å; K360-R396 WeakPolarHBondContact CE-O 3.4Å; K360-R396 PolarHBondContact NZ-O 2.96Å; D394-R396 WeakPolarHBondContact O-CG 2.96Å; D394-R396 PolarHBondContact O-N 3.47Å; D394-R396 IonicContact OD1-NE 3.57Å; D394-R396 IonicContact OD2-CZ 3.91Å; D394-R396 IonicContact OD2-NE 2.75Å; D394-R396 PolarHBondContact OD2-NE 2.89Å; D394-R396 IonicContact OD2-NH2 2.99Å; D394-R396 PolarHBondContact OD2-NH2 3.19Å |
| 397 | E | 79 | Confident | 81 | Confident | 111 Ų | 111 | 63.4 Ų | 63.4 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -21.4 | 175.5 | -167.8 | 156.2 | -153 | 0 | 0 | 114.7 | K360 D395 | K360-E397 WeakPolarHBondContact CB-O 3.24Å; K360-E397 VanDerWaalsContact CG-O 3.25Å; K360-E397 WeakPolarHBondContact CG-O 3.47Å; K360-E397 PolarHBondContact N-O 2.69Å; D395-E397 PolarHBondContact O-N 3.45Å |
| 398 | H | 84.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 156.6 | -172.4 | -65.6 | 72.2 | 0 | 0 | 0 | 115.3 | I358 K360 D395 S438 L440 | I358-H398 WeakPolarHBondContact O-CA 3.48Å; K360-H398 VanDerWaalsContact CE-C 3.48Å; K360-H398 WeakPolarHBondContact CE-O 3.38Å; K360-H398 PolarHBondContact NZ-O 2.94Å; D395-H398 HydrophobicContact CB-CB 4.39Å; D395-H398 PolarHBondContact O-N 2.73Å; H398-S438 PolarHBondContact NE2-O 3.44Å; H398-L440 HydrophobicContact CB-CD1 4.24Å |
| 399 | V | 87.2 | Confident | 81.5 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.5 | 179.1 | 168.8 | 0 | 0 | 0 | 0 | 109 | Q357 I358 K360 V363 I388 S389 F401 | Q357-V399 WeakPolarHBondContact CA-O 3.37Å; I358-V399 PolarHBondContact N-O 2.98Å; I358-V399 PolarHBondContact O-N 2.88Å; K360-V399 HydrophobicContact CD-CG2 4.2Å; K360-V399 HydrophobicContact CG-CG2 3.52Å; V363-V399 HydrophobicContact CG2-CB 3.93Å; V363-V399 HydrophobicContact CG2-CG1 4.24Å; V363-V399 HydrophobicContact CG2-CG2 4.17Å; I388-V399 HydrophobicContact CG2-CG1 3.31Å; S389-V399 WeakPolarHBondContact O-CG1 3.42Å; V399-F401 HydrophobicContact CG1-CD2 3.98Å; V399-F401 HydrophobicContact CG1-CE2 3.76Å |
| 400 | S | 90 | Very high | 82.2 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.9 | 179.6 | -74.8 | 0 | 0 | 0 | 0 | 111 | S389 | S389-S400 PolarHBondContact N-O 2.91Å; S389-S400 PolarHBondContact O-N 3.21Å; S389-S400 WeakPolarHBondContact OG-CB 3.46Å |
| 401 | F | 90.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 98.5 | 171.2 | -80.6 | -133.4 | 0 | 0 | 0 | 107.2 | F356 I358 V363 L367 I386 I388 V399 L403 L417 | F356-F401 HydrophobicContact CB-CB 4.49Å; F356-F401 PolarHBondContact N-O 3.12Å; F356-F401 WeakPolarHBondContact O-CB 3.47Å; F356-F401 PolarHBondContact O-N 3.16Å; I358-F401 HydrophobicContact CB-CD2 4.36Å; I358-F401 HydrophobicContact CB-CE2 4.26Å; I358-F401 HydrophobicContact CD1-CD1 3.72Å; I358-F401 HydrophobicContact CD1-CD2 3.8Å; I358-F401 HydrophobicContact CD1-CE1 3.75Å; I358-F401 HydrophobicContact CD1-CE2 3.83Å; I358-F401 HydrophobicContact CD1-CG 3.78Å; I358-F401 HydrophobicContact CD1-CZ 3.82Å; I358-F401 HydrophobicContact CG1-CD2 4.03Å; I358-F401 HydrophobicContact CG1-CE2 4.26Å; I358-F401 HydrophobicContact CG1-CG 4.29Å; V363-F401 HydrophobicContact CG1-CE2 4.3Å; V363-F401 HydrophobicContact CG1-CZ 4.18Å; V363-F401 HydrophobicContact CG2-CE2 3.98Å; V363-F401 HydrophobicContact CG2-CZ 4.39Å; L367-F401 HydrophobicContact CD2-CE1 3.91Å; L367-F401 HydrophobicContact CD2-CZ 3.97Å; L367-F401 HydrophobicContact CG-CZ 4.34Å; I386-F401 HydrophobicContact CD1-CD1 4.49Å; I386-F401 HydrophobicContact CG2-CB 4.05Å; I386-F401 HydrophobicContact CG2-CD1 3.57Å; I386-F401 HydrophobicContact CG2-CE1 4.32Å; I386-F401 HydrophobicContact CG2-CG 4.05Å; I388-F401 HydrophobicContact CD1-CE1 4.36Å; I388-F401 HydrophobicContact CD1-CE2 4.37Å; I388-F401 HydrophobicContact CD1-CZ 4.01Å; I388-F401 HydrophobicContact CG1-CE2 4.37Å; I388-F401 HydrophobicContact CG1-CZ 4.35Å; I388-F401 HydrophobicContact CG2-CD2 4.4Å; I388-F401 HydrophobicContact CG2-CE2 4.11Å; V399-F401 HydrophobicContact CG1-CD2 3.98Å; V399-F401 HydrophobicContact CG1-CE2 3.76Å; F401-L403 HydrophobicContact CB-CD2 4.23Å; F401-L403 PolarHBondContact O-N 2.79Å; F401-L417 HydrophobicContact CD1-CD1 4.46Å |
| 402 | Q | 92.4 | Very high | 84.6 | Confident | 31 Ų | 31 | 56 Ų | 56 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 104.6 | 175.7 | -177 | 174.6 | 35.9 | 0 | 0 | 108.3 | Q353 D354 I386 K387 | Q353-Q402 VanDerWaalsContact CD-NE2 3.33Å; Q353-Q402 HydrophobicContact CG-CG 3.84Å; D354-Q402 CarbonylContact O-C 3.59Å; D354-Q402 WeakPolarHBondContact O-CA 3.47Å; I386-Q402 WeakPolarHBondContact CA-O 3.3Å; K387-Q402 HydrophobicContact CB-CB 4.21Å; K387-Q402 VanDerWaalsContact CD-OE1 3.32Å; K387-Q402 PolarHBondContact N-O 3.2Å; K387-Q402 WeakPolarHBondContact O-CB 3.37Å; K387-Q402 PolarHBondContact O-N 3.14Å |
| 403 | L | 93.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.6 | -176.6 | -50 | -178.4 | 0 | 0 | 0 | 109.3 | Q353 D354 F356 L383 I386 F401 I410 T413 Q414 L417 | Q353-L403 VanDerWaalsContact CA-O 3.24Å; Q353-L403 WeakPolarHBondContact CA-O 3.13Å; Q353-L403 WeakPolarHBondContact CG-O 3.4Å; D354-L403 PolarHBondContact N-O 3.03Å; D354-L403 PolarHBondContact O-N 3.11Å; F356-L403 HydrophobicContact CB-CD1 4.22Å; L383-L403 HydrophobicContact CD1-CB 4.4Å; L383-L403 HydrophobicContact CD2-CB 4.45Å; L383-L403 HydrophobicContact CD2-CD2 4.35Å; I386-L403 HydrophobicContact CB-CD2 4.44Å; I386-L403 HydrophobicContact CD1-CD2 3.76Å; I386-L403 HydrophobicContact CG1-CD2 3.69Å; I386-L403 HydrophobicContact CG2-CD2 4.16Å; F401-L403 HydrophobicContact CB-CD2 4.23Å; F401-L403 PolarHBondContact O-N 2.79Å; L403-I410 HydrophobicContact CB-CG1 4.33Å; L403-I410 HydrophobicContact CB-CG2 4.48Å; L403-I410 HydrophobicContact CD1-CG2 4.33Å; L403-T413 HydrophobicContact CD1-CG2 4.13Å; L403-T413 HydrophobicContact CD2-CG2 4.06Å; L403-Q414 HydrophobicContact CD1-CG 3.68Å; L403-L417 HydrophobicContact CD1-CD1 4.43Å; L403-L417 HydrophobicContact CD2-CD1 4.17Å |
| 404 | T | 94 | Very high | 87.6 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.6 | 176.4 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | L299 Y302 Q353 L383 V384 G385 | L299-T404 HydrophobicContact CD2-CG2 3.78Å; Y302-T404 HydrophobicContact CD2-CG2 4.32Å; Y302-T404 HydrophobicContact CE2-CG2 3.81Å; Q353-T404 PolarHBondContact NE2-OG1 2.66Å; L383-T404 VanDerWaalsContact CD1-O 3.24Å; L383-T404 WeakPolarHBondContact CD1-O 3.36Å; L383-T404 VanDerWaalsContact CG-O 3.29Å; L383-T404 WeakPolarHBondContact CG-O 3.23Å; V384-T404 WeakPolarHBondContact CA-O 3.48Å; V384-T404 HydrophobicContact CB-CG2 4.49Å; V384-T404 WeakPolarHBondContact CB-O 3.49Å; V384-T404 PolarHBondContact N-O 2.88Å; G385-T404 PolarHBondContact N-O 3.19Å; G385-T404 PolarHBondContact O-N 2.82Å |
| 405 | G | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | -168 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F351 S352 | F351-G405 CarbonylContact C-O 3.58Å; F351-G405 VanDerWaalsContact CA-O 3.3Å; F351-G405 WeakPolarHBondContact CA-O 3.38Å; S352-G405 PolarHBondContact N-O 3.11Å; S352-G405 PolarHBondContact O-N 2.7Å; S352-G405 VanDerWaalsContact O-O 3.13Å |
| 406 | T | 95.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 154.9 | 164.2 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | D350 F351 Q408 A409 I410 | D350-T406 WeakPolarHBondContact O-CA 3.38Å; D350-T406 VanDerWaalsContact OD1-CB 3.26Å; D350-T406 WeakPolarHBondContact OD1-CB 3.49Å; F351-T406 HydrophobicContact CD1-CG2 4.28Å; F351-T406 HydrophobicContact CD2-CG2 4.43Å; F351-T406 HydrophobicContact CE1-CG2 3.92Å; F351-T406 HydrophobicContact CE2-CG2 4.1Å; F351-T406 HydrophobicContact CZ-CG2 3.83Å; T406-Q408 PolarHBondContact O-N 3.21Å; T406-Q408 VanDerWaalsContact O-N 3.13Å; T406-A409 PolarHBondContact O-N 3.32Å; T406-A409 WeakPolarHBondContact OG1-CB 3.38Å; T406-I410 PolarHBondContact O-N 2.72Å |
| 407 | Q | 94.6 | Very high | 91.6 | Very high | 87 Ų | 87 | 36.3 Ų | 36.3 | 41% | 0.407 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.7 | -35.4 | 179.7 | -73.5 | -178.3 | 33.8 | 0 | 0 | 112.5 | D350 S352 R411 | D350-Q407 HydrophobicContact CB-CG 4.4Å; D350-Q407 PolarHBondContact O-N 3.21Å; S352-Q407 VanDerWaalsContact OG-CG 3.28Å; S352-Q407 WeakPolarHBondContact OG-CG 3.41Å; Q407-R411 WeakPolarHBondContact O-CG 3.4Å; Q407-R411 PolarHBondContact O-N 2.72Å; Q407-R411 VanDerWaalsContact O-N 3.16Å |
| 408 | Q | 93.1 | Very high | 92.1 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 37% | 0.369 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.3 | -49.6 | 175.8 | -172.8 | 57 | 36.8 | 0 | 0 | 112.1 | T406 I410 R411 D412 | T406-Q408 PolarHBondContact O-N 3.21Å; T406-Q408 VanDerWaalsContact O-N 3.13Å; Q408-I410 VanDerWaalsContact C-N 3.26Å; Q408-I410 PolarHBondContact O-N 3Å; Q408-R411 PolarHBondContact O-N 2.9Å; Q408-D412 WeakPolarHBondContact CG-OD2 3.2Å; Q408-D412 PolarHBondContact NE2-OD1 2.88Å; Q408-D412 PolarHBondContact NE2-OD2 2.78Å; Q408-D412 VanDerWaalsContact O-CG 3.32Å; Q408-D412 PolarHBondContact O-N 3.19Å |
| 409 | A | 94.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -30.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V381 L383 T406 T413 | V381-A409 HydrophobicContact CG1-CB 3.95Å; V381-A409 VanDerWaalsContact CG1-O 3.23Å; V381-A409 WeakPolarHBondContact CG1-O 3.44Å; L383-A409 HydrophobicContact CB-CB 4.38Å; L383-A409 HydrophobicContact CD1-CB 4.3Å; T406-A409 PolarHBondContact O-N 3.32Å; T406-A409 WeakPolarHBondContact OG1-CB 3.38Å; A409-T413 WeakPolarHBondContact O-CB 3.46Å; A409-T413 PolarHBondContact O-N 2.82Å; A409-T413 VanDerWaalsContact O-N 3.14Å; A409-T413 PolarHBondContact O-OG1 2.99Å |
| 410 | I | 94.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -51.7 | 173 | -71.1 | 170.5 | 0 | 0 | 0 | 110.6 | S352 D354 L383 L403 T406 Q408 D412 T413 Q414 | S352-I410 WeakPolarHBondContact O-CD1 3.44Å; D354-I410 HydrophobicContact CB-CG2 3.78Å; L383-I410 HydrophobicContact CD1-CG1 3.71Å; L403-I410 HydrophobicContact CB-CG1 4.33Å; L403-I410 HydrophobicContact CB-CG2 4.48Å; L403-I410 HydrophobicContact CD1-CG2 4.33Å; T406-I410 PolarHBondContact O-N 2.72Å; Q408-I410 VanDerWaalsContact C-N 3.26Å; Q408-I410 PolarHBondContact O-N 3Å; I410-D412 PolarHBondContact O-N 3.04Å; I410-T413 CarbonylContact O-C 3.03Å; I410-T413 WeakPolarHBondContact O-CB 3.38Å; I410-T413 PolarHBondContact O-N 2.86Å; I410-T413 VanDerWaalsContact O-N 3.09Å; I410-Q414 HydrophobicContact CG2-CG 4.38Å; I410-Q414 WeakPolarHBondContact O-CG 3.38Å; I410-Q414 PolarHBondContact O-N 3.44Å |
| 411 | R | 94.1 | Very high | 92.5 | Very high | 129 Ų | 129 | 41.9 Ų | 41.9 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 178.9 | -71.2 | -172.1 | -59.8 | -129.3 | 1.3 | 113 | Q407 Q408 T413 Q414 L415 | Q407-R411 WeakPolarHBondContact O-CG 3.4Å; Q407-R411 PolarHBondContact O-N 2.72Å; Q407-R411 VanDerWaalsContact O-N 3.16Å; Q408-R411 PolarHBondContact O-N 2.9Å; R411-T413 PolarHBondContact O-N 2.93Å; R411-Q414 PolarHBondContact O-N 2.83Å; R411-L415 PolarHBondContact O-N 3.28Å |
| 412 | D | 93.3 | Very high | 92.5 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.6 | -30.5 | 178.1 | -66.3 | -26.4 | 0 | 0 | 0 | 111.7 | V381 Q408 I410 F416 | V381-D412 HydrophobicContact CG1-CB 3.67Å; V381-D412 HydrophobicContact CG2-CB 4.35Å; Q408-D412 WeakPolarHBondContact CG-OD2 3.2Å; Q408-D412 PolarHBondContact NE2-OD1 2.88Å; Q408-D412 PolarHBondContact NE2-OD2 2.78Å; Q408-D412 VanDerWaalsContact O-CG 3.32Å; Q408-D412 PolarHBondContact O-N 3.19Å; I410-D412 PolarHBondContact O-N 3.04Å; D412-F416 PolarHBondContact O-N 2.85Å |
| 413 | T | 92 | Very high | 92.4 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.1 | -40.9 | 171.6 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | L383 I386 L403 A409 I410 R411 F416 L417 | L383-T413 HydrophobicContact CD2-CG2 4.04Å; I386-T413 HydrophobicContact CD1-CG2 4.17Å; L403-T413 HydrophobicContact CD1-CG2 4.13Å; L403-T413 HydrophobicContact CD2-CG2 4.06Å; A409-T413 WeakPolarHBondContact O-CB 3.46Å; A409-T413 PolarHBondContact O-N 2.82Å; A409-T413 VanDerWaalsContact O-N 3.14Å; A409-T413 PolarHBondContact O-OG1 2.99Å; I410-T413 CarbonylContact O-C 3.03Å; I410-T413 WeakPolarHBondContact O-CB 3.38Å; I410-T413 PolarHBondContact O-N 2.86Å; I410-T413 VanDerWaalsContact O-N 3.09Å; R411-T413 PolarHBondContact O-N 2.93Å; T413-F416 WeakPolarHBondContact O-CB 3.23Å; T413-F416 PolarHBondContact O-N 3.21Å; T413-L417 HydrophobicContact CG2-CD1 4Å; T413-L417 HydrophobicContact CG2-CG 4.31Å; T413-L417 WeakPolarHBondContact O-CG 3.31Å; T413-L417 PolarHBondContact O-N 3.47Å |
| 414 | Q | 92.5 | Very high | 92.2 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 177.3 | -73.1 | 167.5 | -41.3 | 0 | 0 | 110.8 | D354 F356 L403 I410 R411 F416 L417 E418 | D354-Q414 PolarHBondContact OD2-NE2 2.96Å; F356-Q414 HydrophobicContact CD2-CB 4.33Å; F356-Q414 HydrophobicContact CD2-CG 4Å; F356-Q414 HydrophobicContact CE2-CB 4.42Å; L403-Q414 HydrophobicContact CD1-CG 3.68Å; I410-Q414 HydrophobicContact CG2-CG 4.38Å; I410-Q414 WeakPolarHBondContact O-CG 3.38Å; I410-Q414 PolarHBondContact O-N 3.44Å; R411-Q414 PolarHBondContact O-N 2.83Å; Q414-F416 PolarHBondContact O-N 3.13Å; Q414-L417 PolarHBondContact O-N 2.77Å; Q414-E418 WeakPolarHBondContact O-CG 3.36Å; Q414-E418 PolarHBondContact O-N 3.21Å |
| 415 | L | 91.8 | Very high | 91.9 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 59% | 0.586 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -55.4 | -39.4 | 175.6 | 179.7 | 62.7 | 0 | 0 | 0 | 112.4 | R411 F419 | R411-L415 PolarHBondContact O-N 3.28Å; L415-F419 WeakPolarHBondContact O-CB 3.45Å; L415-F419 PolarHBondContact O-N 3.3Å |
| 416 | F | 90.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 173.7 | 167.3 | -101.9 | 0 | 0 | 0 | 112.6 | H373 I377 D412 T413 Q414 F419 Q420 | H373-F416 AromaticContact CD2-CZ 3.97Å; H373-F416 AromaticContact NE2-CZ 3.83Å; I377-F416 HydrophobicContact CB-CE1 4.42Å; I377-F416 HydrophobicContact CD1-CD2 4.08Å; I377-F416 HydrophobicContact CD1-CE1 4.09Å; I377-F416 HydrophobicContact CD1-CE2 3.32Å; I377-F416 HydrophobicContact CD1-CZ 3.33Å; I377-F416 HydrophobicContact CG1-CZ 4.47Å; I377-F416 HydrophobicContact CG2-CD1 3.83Å; I377-F416 HydrophobicContact CG2-CD2 4.05Å; I377-F416 HydrophobicContact CG2-CE1 4.05Å; I377-F416 HydrophobicContact CG2-CE2 4.26Å; I377-F416 HydrophobicContact CG2-CG 3.83Å; I377-F416 HydrophobicContact CG2-CZ 4.27Å; D412-F416 PolarHBondContact O-N 2.85Å; T413-F416 WeakPolarHBondContact O-CB 3.23Å; T413-F416 PolarHBondContact O-N 3.21Å; Q414-F416 PolarHBondContact O-N 3.13Å; F416-F419 PolarHBondContact O-N 3.46Å; F416-Q420 HydrophobicContact CD1-CG 4.47Å; F416-Q420 HydrophobicContact CD2-CG 4.14Å; F416-Q420 HydrophobicContact CE1-CG 3.87Å; F416-Q420 HydrophobicContact CE2-CG 3.47Å; F416-Q420 VanDerWaalsContact CE2-CG 3.47Å; F416-Q420 HydrophobicContact CZ-CG 3.3Å; F416-Q420 WeakPolarHBondContact O-CG 3.45Å; F416-Q420 PolarHBondContact O-N 3.01Å |
| 417 | L | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -36.8 | -179.6 | -66.2 | 172 | 0 | 0 | 0 | 112 | F356 I358 I366 F401 L403 T413 Q414 Q420 V421 | F356-L417 HydrophobicContact CB-CD1 4.42Å; F356-L417 HydrophobicContact CD1-CB 3.84Å; F356-L417 HydrophobicContact CD1-CD1 3.83Å; F356-L417 HydrophobicContact CD1-CG 4.48Å; F356-L417 HydrophobicContact CE1-CB 3.47Å; F356-L417 VanDerWaalsContact CE1-CB 3.47Å; F356-L417 HydrophobicContact CE1-CD1 4.36Å; F356-L417 HydrophobicContact CG-CD1 4.21Å; F356-L417 HydrophobicContact CZ-CB 3.94Å; I358-L417 HydrophobicContact CD1-CD1 4.32Å; I358-L417 HydrophobicContact CD1-CD2 3.96Å; I358-L417 HydrophobicContact CD1-CG 4.5Å; I366-L417 HydrophobicContact CG2-CD2 3.77Å; F401-L417 HydrophobicContact CD1-CD1 4.46Å; L403-L417 HydrophobicContact CD1-CD1 4.43Å; L403-L417 HydrophobicContact CD2-CD1 4.17Å; T413-L417 HydrophobicContact CG2-CD1 4Å; T413-L417 HydrophobicContact CG2-CG 4.31Å; T413-L417 WeakPolarHBondContact O-CG 3.31Å; T413-L417 PolarHBondContact O-N 3.47Å; Q414-L417 PolarHBondContact O-N 2.77Å; L417-Q420 PolarHBondContact O-N 3.47Å; L417-V421 WeakPolarHBondContact O-CG2 3.48Å; L417-V421 PolarHBondContact O-N 3.45Å |
| 418 | E | 91.2 | Very high | 91 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -51.3 | 170.2 | -71.8 | 175.3 | -178.3 | 0 | 0 | 111.2 | F356 Q414 Q420 V421 A422 I439 | F356-E418 HydrophobicContact CE2-CG 3.69Å; F356-E418 HydrophobicContact CZ-CB 4.47Å; F356-E418 HydrophobicContact CZ-CG 3.55Å; Q414-E418 WeakPolarHBondContact O-CG 3.36Å; Q414-E418 PolarHBondContact O-N 3.21Å; E418-Q420 VanDerWaalsContact C-N 3.33Å; E418-Q420 PolarHBondContact O-N 2.8Å; E418-V421 PolarHBondContact O-N 3.26Å; E418-A422 WeakPolarHBondContact O-CB 3.39Å; E418-A422 PolarHBondContact O-N 3.46Å; E418-I439 HydrophobicContact CG-CD1 4.31Å |
| 419 | F | 90.8 | Very high | 90.7 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.7 | -40.9 | 177.4 | 175 | -97 | 0 | 0 | 0 | 112.6 | L415 F416 A422 S423 | L415-F419 WeakPolarHBondContact O-CB 3.45Å; L415-F419 PolarHBondContact O-N 3.3Å; F416-F419 PolarHBondContact O-N 3.46Å; F419-A422 PolarHBondContact O-N 3.48Å; F419-S423 WeakPolarHBondContact O-CB 3.19Å; F419-S423 PolarHBondContact O-N 3.1Å; F419-S423 PolarHBondContact O-OG 3.02Å |
| 420 | Q | 89.1 | Confident | 90.4 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 176.7 | -73.4 | -60.2 | -55 | 0 | 0 | 112.7 | I366 F416 L417 E418 S423 L424 | I366-Q420 HydrophobicContact CD1-CB 4.1Å; I366-Q420 HydrophobicContact CG1-CB 3.96Å; F416-Q420 HydrophobicContact CD1-CG 4.47Å; F416-Q420 HydrophobicContact CD2-CG 4.14Å; F416-Q420 HydrophobicContact CE1-CG 3.87Å; F416-Q420 HydrophobicContact CE2-CG 3.47Å; F416-Q420 VanDerWaalsContact CE2-CG 3.47Å; F416-Q420 HydrophobicContact CZ-CG 3.3Å; F416-Q420 WeakPolarHBondContact O-CG 3.45Å; F416-Q420 PolarHBondContact O-N 3.01Å; L417-Q420 PolarHBondContact O-N 3.47Å; E418-Q420 VanDerWaalsContact C-N 3.33Å; E418-Q420 PolarHBondContact O-N 2.8Å; Q420-S423 PolarHBondContact O-N 3.3Å; Q420-L424 VanDerWaalsContact O-CG 3.3Å; Q420-L424 WeakPolarHBondContact O-CG 3.33Å; Q420-L424 PolarHBondContact O-N 3.47Å |
| 421 | V | 89.7 | Confident | 90 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.6 | I358 Y362 I366 L417 E418 S423 L424 Q425 I439 | I358-V421 HydrophobicContact CG2-CG2 4.21Å; Y362-V421 HydrophobicContact CD2-CG1 3.87Å; Y362-V421 HydrophobicContact CD2-CG2 4.35Å; Y362-V421 HydrophobicContact CE2-CG1 4.09Å; I366-V421 HydrophobicContact CD1-CG2 3.72Å; L417-V421 WeakPolarHBondContact O-CG2 3.48Å; L417-V421 PolarHBondContact O-N 3.45Å; E418-V421 PolarHBondContact O-N 3.26Å; V421-S423 VanDerWaalsContact C-N 3.3Å; V421-S423 PolarHBondContact O-N 3.01Å; V421-L424 PolarHBondContact O-N 2.94Å; V421-L424 VanDerWaalsContact O-N 3.09Å; V421-Q425 HydrophobicContact CG1-CG 4.19Å; V421-Q425 WeakPolarHBondContact O-CG 3.39Å; V421-Q425 PolarHBondContact O-N 3.27Å; V421-I439 HydrophobicContact CB-CD1 3.58Å; V421-I439 HydrophobicContact CB-CG1 4.07Å; V421-I439 HydrophobicContact CG1-CD1 3.81Å; V421-I439 HydrophobicContact CG1-CG1 3.94Å; V421-I439 HydrophobicContact CG2-CD1 3.82Å; V421-I439 HydrophobicContact CG2-CG1 3.95Å |
| 422 | A | 90 | Very high | 89.2 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E418 F419 L424 Q425 E426 | E418-A422 WeakPolarHBondContact O-CB 3.39Å; E418-A422 PolarHBondContact O-N 3.46Å; F419-A422 PolarHBondContact O-N 3.48Å; A422-L424 VanDerWaalsContact C-N 3.34Å; A422-L424 PolarHBondContact O-N 3.45Å; A422-Q425 PolarHBondContact O-N 3.2Å; A422-E426 PolarHBondContact O-N 3.22Å |
| 423 | S | 90 | Very high | 88.5 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | F419 Q420 V421 E426 L427 | F419-S423 WeakPolarHBondContact O-CB 3.19Å; F419-S423 PolarHBondContact O-N 3.1Å; F419-S423 PolarHBondContact O-OG 3.02Å; Q420-S423 PolarHBondContact O-N 3.3Å; V421-S423 VanDerWaalsContact C-N 3.3Å; V421-S423 PolarHBondContact O-N 3.01Å; S423-E426 PolarHBondContact O-N 3.11Å; S423-L427 VanDerWaalsContact O-CG 3.31Å; S423-L427 WeakPolarHBondContact O-CG 3.38Å; S423-L427 PolarHBondContact O-N 3.49Å |
| 424 | L | 90.1 | Very high | 87.2 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.4 | -36.9 | 178.1 | -69.7 | 165.3 | 0 | 0 | 0 | 112.2 | Y362 P365 I366 Q420 V421 A422 E426 L427 D428 | Y362-L424 HydrophobicContact CD1-CB 3.76Å; Y362-L424 HydrophobicContact CD1-CD1 3.9Å; Y362-L424 HydrophobicContact CD1-CG 4.32Å; Y362-L424 HydrophobicContact CD2-CB 4.28Å; Y362-L424 HydrophobicContact CE1-CB 3.73Å; Y362-L424 HydrophobicContact CE2-CB 4.22Å; Y362-L424 HydrophobicContact CG-CB 4.06Å; Y362-L424 HydrophobicContact CG-CD1 3.84Å; P365-L424 HydrophobicContact CB-CD1 3.86Å; P365-L424 HydrophobicContact CB-CD2 3.81Å; P365-L424 HydrophobicContact CG-CD2 4.3Å; I366-L424 HydrophobicContact CD1-CD1 4.04Å; I366-L424 HydrophobicContact CG1-CD1 3.69Å; Q420-L424 VanDerWaalsContact O-CG 3.3Å; Q420-L424 WeakPolarHBondContact O-CG 3.33Å; Q420-L424 PolarHBondContact O-N 3.47Å; V421-L424 PolarHBondContact O-N 2.94Å; V421-L424 VanDerWaalsContact O-N 3.09Å; A422-L424 VanDerWaalsContact C-N 3.34Å; A422-L424 PolarHBondContact O-N 3.45Å; L424-E426 VanDerWaalsContact C-N 3.33Å; L424-E426 PolarHBondContact O-N 3Å; L424-L427 HydrophobicContact CD2-CD1 4.47Å; L424-L427 PolarHBondContact O-N 3.37Å; L424-D428 WeakPolarHBondContact O-CB 3.48Å; L424-D428 PolarHBondContact O-N 2.95Å |
| 425 | Q | 88.7 | Confident | 86.4 | Confident | 27 Ų | 27 | 79.8 Ų | 79.8 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 171.7 | -70.2 | -173.4 | -29.9 | 0 | 0 | 112.3 | Y362 V421 A422 D428 R429 P436 P437 S438 | Y362-Q425 HydrophobicContact CE2-CG 3.98Å; V421-Q425 HydrophobicContact CG1-CG 4.19Å; V421-Q425 WeakPolarHBondContact O-CG 3.39Å; V421-Q425 PolarHBondContact O-N 3.27Å; A422-Q425 PolarHBondContact O-N 3.2Å; Q425-D428 PolarHBondContact O-N 2.88Å; Q425-R429 VanDerWaalsContact O-CG 3.28Å; Q425-R429 WeakPolarHBondContact O-CG 3.35Å; Q425-R429 PolarHBondContact O-N 3.14Å; Q425-P436 HydrophobicContact CB-CB 4.13Å; Q425-P436 HydrophobicContact CB-CG 3.96Å; Q425-P436 HydrophobicContact CG-CB 4.11Å; Q425-P436 HydrophobicContact CG-CG 4.16Å; Q425-P437 PolarHBondContact NE2-O 3.08Å; Q425-S438 VanDerWaalsContact NE2-CA 3.32Å; Q425-S438 PolarHBondContact NE2-OG 3.3Å |
| 426 | E | 88.7 | Confident | 85.7 | Confident | 123 Ų | 123 | 75 Ų | 75 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 176.3 | -173.5 | 170.5 | -164.5 | 0 | 0 | 111.3 | A422 S423 L424 D428 R429 L430 | A422-E426 PolarHBondContact O-N 3.22Å; S423-E426 PolarHBondContact O-N 3.11Å; L424-E426 VanDerWaalsContact C-N 3.33Å; L424-E426 PolarHBondContact O-N 3Å; E426-D428 VanDerWaalsContact C-N 3.29Å; E426-D428 PolarHBondContact O-N 3.45Å; E426-R429 PolarHBondContact O-N 3Å; E426-L430 HydrophobicContact CG-CD1 4.34Å; E426-L430 VanDerWaalsContact O-CG 3.32Å; E426-L430 WeakPolarHBondContact O-CG 3.4Å; E426-L430 PolarHBondContact O-N 2.88Å |
| 427 | L | 88.7 | Confident | 85 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 174.7 | -72.2 | 169.9 | 0 | 0 | 0 | 113.2 | S423 L424 R431 | S423-L427 VanDerWaalsContact O-CG 3.31Å; S423-L427 WeakPolarHBondContact O-CG 3.38Å; S423-L427 PolarHBondContact O-N 3.49Å; L424-L427 HydrophobicContact CD2-CD1 4.47Å; L424-L427 PolarHBondContact O-N 3.37Å; L427-R431 WeakPolarHBondContact O-CD 3.43Å; L427-R431 VanDerWaalsContact O-CG 3.25Å; L427-R431 WeakPolarHBondContact O-CG 3.37Å; L427-R431 PolarHBondContact O-N 3.2Å |
| 428 | D | 88 | Confident | 84.2 | Confident | 23 Ų | 23 | 78 Ų | 78 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.6 | -36.4 | 176.8 | -76 | -12.3 | 0 | 0 | 0 | 112.8 | Y362 L424 Q425 E426 L430 R431 G432 V433 P436 | Y362-D428 WeakPolarHBondContact CE1-OD2 3.24Å; Y362-D428 PolarHBondContact OH-OD2 2.74Å; L424-D428 WeakPolarHBondContact O-CB 3.48Å; L424-D428 PolarHBondContact O-N 2.95Å; Q425-D428 PolarHBondContact O-N 2.88Å; E426-D428 VanDerWaalsContact C-N 3.29Å; E426-D428 PolarHBondContact O-N 3.45Å; D428-L430 VanDerWaalsContact C-N 3.31Å; D428-L430 PolarHBondContact O-N 3.41Å; D428-R431 CarbonylContact O-C 3.58Å; D428-R431 WeakPolarHBondContact O-CA 3.39Å; D428-R431 WeakPolarHBondContact O-CB 3.49Å; D428-R431 PolarHBondContact O-N 2.97Å; D428-R431 IonicContact OD1-CZ 2.86Å; D428-R431 IonicContact OD1-NH1 2.85Å; D428-R431 PolarHBondContact OD1-NH1 2.74Å; D428-G432 PolarHBondContact O-N 3.34Å; D428-V433 HydrophobicContact CB-CB 4.01Å; D428-V433 HydrophobicContact CB-CG2 3.94Å; D428-V433 WeakPolarHBondContact O-CB 3.49Å; D428-V433 WeakPolarHBondContact O-CG2 3.12Å; D428-V433 PolarHBondContact O-N 3.35Å; D428-P436 HydrophobicContact CB-CB 4.15Å |
| 429 | R | 87.2 | Confident | 83.4 | Confident | 150 Ų | 150 | 75.2 Ų | 75.2 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 169.3 | -73 | 166.2 | -172.8 | 163 | 7.4 | 111.2 | Q425 E426 R431 G432 P436 | Q425-R429 VanDerWaalsContact O-CG 3.28Å; Q425-R429 WeakPolarHBondContact O-CG 3.35Å; Q425-R429 PolarHBondContact O-N 3.14Å; E426-R429 PolarHBondContact O-N 3Å; R429-R431 PolarHBondContact O-N 3.41Å; R429-G432 PolarHBondContact O-N 3.04Å; R429-P436 HydrophobicContact CG-CG 3.97Å |
| 430 | L | 86.8 | Confident | 82.3 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 71% | 0.707 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.6 | 175.4 | -69.2 | 170.8 | 0 | 0 | 0 | 113.7 | E426 D428 | E426-L430 HydrophobicContact CG-CD1 4.34Å; E426-L430 VanDerWaalsContact O-CG 3.32Å; E426-L430 WeakPolarHBondContact O-CG 3.4Å; E426-L430 PolarHBondContact O-N 2.88Å; D428-L430 VanDerWaalsContact C-N 3.31Å; D428-L430 PolarHBondContact O-N 3.41Å |
| 431 | R | 86.1 | Confident | 80.8 | Confident | 175 Ų | 175 | 79.3 Ų | 79.3 | 66% | 0.66 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.2 | 172.6 | -69.3 | 162.5 | 178.4 | 161.5 | -2.6 | 113.7 | L427 D428 R429 | L427-R431 WeakPolarHBondContact O-CD 3.43Å; L427-R431 VanDerWaalsContact O-CG 3.25Å; L427-R431 WeakPolarHBondContact O-CG 3.37Å; L427-R431 PolarHBondContact O-N 3.2Å; D428-R431 CarbonylContact O-C 3.58Å; D428-R431 WeakPolarHBondContact O-CA 3.39Å; D428-R431 WeakPolarHBondContact O-CB 3.49Å; D428-R431 PolarHBondContact O-N 2.97Å; D428-R431 IonicContact OD1-CZ 2.86Å; D428-R431 IonicContact OD1-NH1 2.85Å; D428-R431 PolarHBondContact OD1-NH1 2.74Å; R429-R431 PolarHBondContact O-N 3.41Å |
| 432 | G | 77.7 | Confident | 79 | Confident | 63 Ų | 63 | 84.3 Ų | 84.3 | 65% | 0.649 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 21.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | D428 R429 E434 | D428-G432 PolarHBondContact O-N 3.34Å; R429-G432 PolarHBondContact O-N 3.04Å; G432-E434 PolarHBondContact O-N 3.36Å |
| 433 | V | 79.3 | Confident | 76.4 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | trans | -76.3 | 101.5 | 170.9 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | D428 N435 | D428-V433 HydrophobicContact CB-CB 4.01Å; D428-V433 HydrophobicContact CB-CG2 3.94Å; D428-V433 WeakPolarHBondContact O-CB 3.49Å; D428-V433 WeakPolarHBondContact O-CG2 3.12Å; D428-V433 PolarHBondContact O-N 3.35Å; V433-N435 PolarHBondContact O-N 3.03Å | ||
| 434 | E | 64.3 | Low | 73.7 | Confident | 179 Ų | 179 | 95.7 Ų | 95.7 | 84% | 0.836 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -67 | 112.9 | 169.5 | -64.9 | -168.2 | 162.8 | 0 | 0 | 109.6 | G432 | G432-E434 PolarHBondContact O-N 3.36Š|
| 435 | N | 76.4 | Confident | 70.9 | Confident | 147 Ų | 147 | 99.2 Ų | 99.2 | 79% | 0.786 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 71.3 | 76.7 | -176.3 | -46 | -74.8 | 0 | 0 | 0 | 114.6 | V433 | V433-N435 PolarHBondContact O-N 3.03Š|
| 436 | P | 75.7 | Confident | 68 | Low | 13 Ų | 13 | 103.8 Ų | 103.8 | 8% | 0.084 | 55% | 0.55 | C | S | . | . | trans | -66.2 | 141.7 | 172.3 | 31.1 | -38.4 | 0 | 0 | 0 | 111.8 | Y362 Q425 D428 R429 | Y362-P436 WeakPolarHBondContact OH-CB 3.37Å; Q425-P436 HydrophobicContact CB-CB 4.13Å; Q425-P436 HydrophobicContact CB-CG 3.96Å; Q425-P436 HydrophobicContact CG-CB 4.11Å; Q425-P436 HydrophobicContact CG-CG 4.16Å; D428-P436 HydrophobicContact CB-CB 4.15Å; R429-P436 HydrophobicContact CG-CG 3.97Å | ||
| 437 | P | 76.4 | Confident | 65.3 | Low | 28 Ų | 28 | 105.3 Ų | 105.3 | 18% | 0.182 | 56% | 0.56 | C | S | . | * | trans | -54.8 | 143.3 | 179.9 | -29.4 | 36.8 | 0 | 0 | 0 | 113.7 | P359 Y362 Q425 | P359-P437 HydrophobicContact CB-CB 3.59Å; P359-P437 HydrophobicContact CG-CB 3.84Å; Y362-P437 HydrophobicContact CE2-CB 4.45Å; Y362-P437 WeakPolarHBondContact CE2-O 3.3Å; Q425-P437 PolarHBondContact NE2-O 3.08Å | ||
| 438 | S | 73.7 | Confident | 62.6 | Low | 66 Ų | 66 | 106.2 Ų | 106.2 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | trans | -115.7 | 151.2 | -175.7 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | P359 H398 Q425 L440 | P359-S438 WeakPolarHBondContact CG-O 3.43Å; H398-S438 PolarHBondContact NE2-O 3.44Å; Q425-S438 VanDerWaalsContact NE2-CA 3.32Å; Q425-S438 PolarHBondContact NE2-OG 3.3Å; S438-L440 PolarHBondContact O-N 3.04Å | ||
| 439 | I | 74.5 | Confident | 59.9 | Low | 39 Ų | 39 | 113 Ų | 113 | 20% | 0.2 | 61% | 0.607 | C | S | . | * | trans | -55.6 | 133.1 | 162.3 | -72.8 | 148.6 | 0 | 0 | 0 | 108.2 | F356 E418 V421 K441 | F356-I439 HydrophobicContact CE1-CD1 3.95Å; F356-I439 HydrophobicContact CE1-CG1 4.03Å; F356-I439 HydrophobicContact CZ-CD1 3.57Å; F356-I439 HydrophobicContact CZ-CG1 3.99Å; F356-I439 HydrophobicContact CZ-CG2 4.22Å; E418-I439 HydrophobicContact CG-CD1 4.31Å; V421-I439 HydrophobicContact CB-CD1 3.58Å; V421-I439 HydrophobicContact CB-CG1 4.07Å; V421-I439 HydrophobicContact CG1-CD1 3.81Å; V421-I439 HydrophobicContact CG1-CG1 3.94Å; V421-I439 HydrophobicContact CG2-CD1 3.82Å; V421-I439 HydrophobicContact CG2-CG1 3.95Å; I439-K441 PolarHBondContact O-N 3.11Å; I439-K441 VanDerWaalsContact O-N 3.12Å | ||
| 440 | L | 66.6 | Low | 57.4 | Low | 64 Ų | 64 | 114.5 Ų | 114.5 | 34% | 0.335 | 62% | 0.62 | S | S | . | * | trans | -66.3 | 109.7 | 165.4 | -70.3 | 168.7 | 0 | 0 | 0 | 107.1 | Q357 H398 S438 | Q357-L440 HydrophobicContact CB-CB 4.37Å; Q357-L440 HydrophobicContact CB-CD1 4.47Å; H398-L440 HydrophobicContact CB-CD1 4.24Å; S438-L440 PolarHBondContact O-N 3.04Å | ||
| 441 | K | 59 | Low | 54.8 | Low | 187 Ų | 187 | 115 Ų | 115 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | trans | -54.6 | 133.2 | 169 | -68.6 | -175.2 | 178.4 | -177.2 | 0 | 107.3 | I439 K443 | I439-K441 PolarHBondContact O-N 3.11Å; I439-K441 VanDerWaalsContact O-N 3.12Å; K441-K443 PolarHBondContact O-N 3.43Å | ||
| 442 | P | 51.1 | Low | 52.6 | Low | 107 Ų | 107 | 115 Ų | 115 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | trans | -55.1 | 128 | 178.6 | 22.4 | -32.6 | 0 | 0 | 0 | 109 | N444 | P442-N444 PolarHBondContact O-N 2.81Š| ||
| 443 | K | 36 | Very low | 50.5 | Low | 173 Ų | 173 | 116.5 Ų | 116.5 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | trans | -58 | 110.7 | 167.5 | -75.6 | 171.8 | -178.3 | 163.5 | 0 | 106.1 | E393 K441 A445 | E393-K443 IonicContact OE2-NZ 3.21Å; E393-K443 PolarHBondContact OE2-NZ 2.82Å; K441-K443 PolarHBondContact O-N 3.43Å; K443-A445 PolarHBondContact O-N 2.54Å | ||
| 444 | N | 32.6 | Very low | 48.2 | Very low | 147 Ų | 147 | 117.8 Ų | 117.8 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | trans | -53.1 | 117.8 | 171 | -78.3 | -11.7 | 0 | 0 | 0 | 107.6 | P442 T446 | P442-N444 PolarHBondContact O-N 2.81Å; N444-T446 PolarHBondContact O-N 3.16Å; N444-T446 VanDerWaalsContact O-N 3.11Å | ||
| 445 | A | 30.7 | Very low | 46.7 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | trans | -63.2 | 116.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108 | K443 I447 | K443-A445 PolarHBondContact O-N 2.54Å; A445-I447 PolarHBondContact O-N 2.91Å | ||
| 446 | T | 27.9 | Very low | 44.7 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 76% | 0.755 | 64% | 0.644 | S | S | * | * | trans | -61.4 | 103.5 | -170 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | N444 P448 | N444-T446 PolarHBondContact O-N 3.16Å; N444-T446 VanDerWaalsContact O-N 3.11Å; T446-P448 HydrophobicContact CG2-CG 4.11Å | ||
| 447 | I | 32.8 | Very low | 42.7 | Very low | 156 Ų | 156 | 124 Ų | 124 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | trans | -97.4 | 114.1 | 147.4 | -57.7 | 176.8 | 0 | 0 | 0 | 104.4 | A445 L449 | A445-I447 PolarHBondContact O-N 2.91Å; I447-L449 PolarHBondContact O-N 3.26Å | ||
| 448 | P | 31.5 | Very low | 40.7 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | trans | -61.2 | 123.4 | -175.1 | -24 | 33.9 | 0 | 0 | 0 | 111.6 | T446 | T446-P448 HydrophobicContact CG2-CG 4.11Š| ||
| 449 | L | 32.6 | Very low | 38.9 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -104.3 | 93.7 | 161.2 | -154.3 | 83.1 | 0 | 0 | 0 | 105.9 | I447 | I447-L449 PolarHBondContact O-N 3.26Š| ||
| 450 | E | 34.3 | Very low | 36.9 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -87.5 | 118.4 | 168.4 | -68.8 | -159.2 | 150.8 | 0 | 0 | 108.7 | ||||
| 451 | D | 32 | Very low | 35.2 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -65.6 | 130.2 | 162 | -68.7 | -59.7 | 0 | 0 | 0 | 108.9 | ||||
| 452 | I | 39.6 | Very low | 34.1 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -156.3 | 142.4 | 140.4 | -105.3 | 149 | 0 | 0 | 0 | 111.4 | ||||
| 453 | S | 33 | Very low | 33.3 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | -63.2 | 144 | -175.2 | -167.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 454 | S | 32 | Very low | 33.2 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | 66.2 | 146.2 | 138.4 | 63.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 455 | N | 33.2 | Very low | 33.3 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 79.2 | 101.6 | 160.1 | -53.2 | -14.7 | 0 | 0 | 0 | 117.9 | ||||
| 456 | D | 33.1 | Very low | 33.6 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | 41.5 | 148.6 | 111.3 | -75.5 | -44.5 | 0 | 0 | 0 | 123 | |||||
| 457 | E | 34.9 | Very low | 34 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 63.9 | 95.6 | 160.8 | -64.2 | -157.4 | 118.7 | 0 | 0 | 120.7 | ||||
| 458 | S | 34.3 | Very low | 34 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | 99 | 138.4 | 114.8 | 80.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 459 | S | 35.2 | Very low | 34.4 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | 81.8 | 98.7 | 144.9 | 72.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 460 | N | 31.9 | Very low | 34.5 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 75.1 | 159.2 | 119.1 | -59.7 | -19.2 | 0 | 0 | 0 | 123.5 | |||||
| 461 | H | 32.4 | Very low | 34.8 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 73.9 | 138.4 | 155.8 | -81.3 | -59 | 0 | 0 | 0 | 118 | ||||
| 462 | L | 34.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | cis | -145.2 | 177.1 | -2.4 | -67.3 | 115.8 | 0 | 0 | 0 | 108.5 | ||||
| 463 | T | 35.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 135 Ų | 135 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | cis | -163.6 | 172.7 | -3.2 | 3.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 464 | H | 33.5 | Very low | 35 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | trans | 69.3 | 141.8 | 167.1 | -60.1 | -69.6 | 0 | 0 | 0 | 117.3 | ||||
| 465 | S | 34.7 | Very low | 35.3 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | -156 | 154.3 | -16.1 | -101.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 466 | E | 36.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | cis | -167.1 | 158.7 | 28.9 | -129.7 | 165.7 | -154.1 | 0 | 0 | 108.1 | ||||
| 467 | N | 36.6 | Very low | 36.1 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 60.3 | 136 | 169.1 | -51.5 | -45.8 | 0 | 0 | 0 | 118.3 | ||||
| 468 | G | 31.6 | Very low | 36.2 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | 161.1 | 133.8 | -8.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 469 | H | 39.6 | Very low | 36.6 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | trans | 71.5 | 146.1 | 177.6 | -65.3 | 37.5 | 0 | 0 | 0 | 116.8 | ||||
| 470 | R | 35.7 | Very low | 36.8 | Very low | 203 Ų | 203 | 136.7 Ų | 136.7 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -171.3 | 133.9 | -27.7 | -125.1 | -172 | 168 | -155.2 | -0.4 | 109.3 | ||||
| 471 | I | 40.1 | Very low | 36.9 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | trans | 64.2 | 143.7 | 149.2 | -61 | 167 | 0 | 0 | 0 | 117.9 | ||||
| 472 | S | 38.8 | Very low | 37.2 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | cis | -165 | 161.6 | -29.2 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 473 | N | 33.3 | Very low | 37.3 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | -56.3 | 163.2 | -173.5 | -51.5 | -8.2 | 0 | 0 | 0 | 118.4 | ||||
| 474 | G | 36.6 | Very low | 37.4 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | 119.7 | 143.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 475 | D | 39.9 | Very low | 37.6 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | cis | -168.9 | 161.1 | -12.7 | -143.7 | -13.8 | 0 | 0 | 0 | 110.5 | ||||
| 476 | N | 39.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | trans | 60.8 | 171.4 | 162.3 | -62.9 | -53 | 0 | 0 | 0 | 119.2 | ||||
| 477 | Q | 41.7 | Very low | 37.7 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -160.3 | 149.6 | -43.4 | -107.6 | -178.2 | 60.2 | 0 | 0 | 108.8 | ||||
| 478 | S | 38.1 | Very low | 37.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 64.9 | 165.2 | 159 | 103.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 479 | S | 43 | Very low | 37.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -161.9 | 141.5 | -9.8 | 30.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 480 | K | 38.4 | Very low | 37.6 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | 59.1 | 133.6 | 140 | -73.1 | -172.7 | 174.1 | -177.5 | 0 | 123.3 | ||||
| 481 | C | 34.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 72.8 | 151 | 137.5 | -69.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 482 | S | 37.7 | Very low | 37.6 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 54% | 0.538 | 75% | 0.748 | S | S | . | * | cis | -160.8 | 156.8 | -3.8 | -120.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 483 | E | 36.9 | Very low | 37.3 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 49.5 | 155.2 | 145 | -72.8 | 152.7 | 103.2 | 0 | 0 | 120.8 | ||||
| 484 | S | 38.9 | Very low | 37.5 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | cis | -159.5 | 177.9 | -12.1 | 55.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 485 | N | 37.4 | Very low | 37.5 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | cis | -164.9 | 176.6 | 33.1 | -135.9 | -40.9 | 0 | 0 | 0 | 111.9 | ||||
| 486 | Y | 35.9 | Very low | 37.5 | Very low | 212 Ų | 212 | 131.8 Ų | 131.8 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | -87.4 | 153.5 | -170.9 | -61.9 | -101.1 | 0 | 0 | 0 | 115.5 | ||||
| 487 | A | 36.9 | Very low | 37.5 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -160.3 | 138.6 | 134.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 488 | V | 33.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | -135.8 | 133.8 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 489 | H | 38.9 | Very low | 37.5 | Very low | 198 Ų | 198 | 132.8 Ų | 132.8 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -144.8 | 147.1 | 158.1 | -89.3 | -65.9 | 0 | 0 | 0 | 111.3 | ||||
| 490 | S | 34.3 | Very low | 37.3 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | -122.5 | -174.6 | -174.5 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 491 | N | 39.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | 84.4 | 156.2 | 170.4 | -45.7 | -12.5 | 0 | 0 | 0 | 115.3 | ||||
| 492 | S | 36.5 | Very low | 37.3 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -167 | 148.5 | -36.3 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 493 | C | 32.5 | Very low | 37 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 33.3 | 112.7 | 154.4 | -70.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 494 | S | 37.4 | Very low | 37 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | 108.7 | 141.8 | 104.2 | 76 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 495 | N | 37.1 | Very low | 36.6 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 93.3 | 123 | 142.9 | -68.2 | -35.2 | 0 | 0 | 0 | 123.2 | ||||
| 496 | K | 38.6 | Very low | 36.5 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | 75.4 | 155.1 | 151.5 | -65.9 | 170.8 | 165.3 | -155.2 | 0 | 117.8 | ||||
| 497 | E | 38.9 | Very low | 36.6 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | cis | -148.6 | 154.7 | 11.5 | -146.9 | 146.5 | -123.2 | 0 | 0 | 114.4 | ||||
| 498 | E | 38.6 | Very low | 36.4 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 59% | 0.593 | 74% | 0.739 | S | S | * | * | trans | 27.1 | 149.9 | 159.4 | -82.6 | -164.4 | 156.6 | 0 | 0 | 125.1 | K500 | E498-K500 VanDerWaalsContact CD-NZ 3.3Å; E498-K500 WeakPolarHBondContact OE1-CE 3.38Å; E498-K500 IonicContact OE1-NZ 3.71Å; E498-K500 PolarHBondContact OE1-NZ 3.15Å; E498-K500 IonicContact OE2-NZ 2.69Å; E498-K500 PolarHBondContact OE2-NZ 3.35Å | ||
| 499 | P | 41.5 | Very low | 36.5 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | -134.2 | 160.1 | 96.4 | 38.3 | -29.1 | 0 | 0 | 0 | 116.2 | |||||
| 500 | K | 40.1 | Very low | 36.3 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 68% | 0.683 | 73% | 0.728 | S | S | * | * | trans | -85.7 | 144.8 | 177.7 | -61 | 176.4 | 171.9 | 81.2 | 0 | 111.2 | E498 | E498-K500 VanDerWaalsContact CD-NZ 3.3Å; E498-K500 WeakPolarHBondContact OE1-CE 3.38Å; E498-K500 IonicContact OE1-NZ 3.71Å; E498-K500 PolarHBondContact OE1-NZ 3.15Å; E498-K500 IonicContact OE2-NZ 2.69Å; E498-K500 PolarHBondContact OE2-NZ 3.35Å | ||
| 501 | K | 34.8 | Very low | 36.5 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | cis | 86.8 | 101.2 | 47.9 | -119 | -156.6 | -175.6 | -151 | 0 | 115.7 | ||||
| 502 | Q | 37.6 | Very low | 36.2 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | 168.2 | 126.7 | 149.9 | -97.1 | 167.3 | 4.8 | 0 | 0 | 107.9 | ||||
| 503 | E | 31.9 | Very low | 36.1 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | 98.7 | 92 | 11.4 | -159.6 | 169.4 | -146.1 | 0 | 0 | 116.7 | ||||
| 504 | T | 36.6 | Very low | 36.6 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | 179.6 | 118.9 | 145.4 | 20.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 505 | T | 30.5 | Very low | 36.7 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 60% | 0.595 | 75% | 0.745 | S | S | * | * | cis | 83.2 | 109.7 | 42.9 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 506 | Y | 36 | Very low | 36.9 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | 149.9 | 129.5 | 129.8 | -83.5 | -60.8 | 0 | 0 | 0 | 115.4 | |||||
| 507 | N | 36.6 | Very low | 36.7 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | 63.5 | 154.8 | 135.7 | -67.9 | -19.8 | 0 | 0 | 0 | 122.2 | ||||
| 508 | N | 32.4 | Very low | 36.6 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | cis | -172 | 179 | -35.4 | -131.8 | -48.6 | 0 | 0 | 0 | 108.6 | ||||
| 509 | I | 36.5 | Very low | 36.5 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 63.5 | 102.2 | 162.4 | -60.3 | 146.7 | 0 | 0 | 0 | 115.2 | ||||
| 510 | A | 34 | Very low | 36.6 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | 79.1 | 122 | 54.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 511 | N | 38.4 | Very low | 36.6 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | -167.9 | 138.8 | 127.6 | -110.1 | -56 | 0 | 0 | 0 | 115.7 | |||||
| 512 | S | 34.5 | Very low | 36.9 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | 14.1 | 145.7 | 123.7 | -45.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 513 | R | 33.1 | Very low | 36.9 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | cis | -166.7 | 163.2 | 1.2 | -117.8 | 178.4 | 179.8 | -179 | 0.1 | 109.1 | ||||
| 514 | P | 43.5 | Very low | 36.9 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -103.6 | 155.5 | 178.8 | 38.1 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 515 | H | 39.5 | Very low | 37 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -163.8 | 166.9 | 153 | -107.4 | 18 | 0 | 0 | 0 | 114.1 | ||||
| 516 | P | 41 | Very low | 37.3 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -131.9 | -179 | -147 | 45.2 | -31.8 | 0 | 0 | 0 | 116.9 | ||||
| 517 | G | 35.1 | Very low | 37.4 | Very low | 76 Ų | 76 | 140.5 Ų | 140.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 154.1 | 154.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 518 | G | 36.5 | Very low | 37.3 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 74.9 | 98.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 519 | R | 36.6 | Very low | 37.6 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | 50.9 | 108.7 | 67.6 | -72.1 | -169.9 | 173.4 | -171.5 | -0.4 | 116.4 | |||||
| 520 | Q | 44.1 | Very low | 37.7 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | -167.6 | 146.3 | 113 | -90.4 | -54 | -21.1 | 0 | 0 | 110.1 | |||||
| 521 | P | 39.6 | Very low | 37.7 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -121.6 | 151 | 179.4 | 39.4 | -27.6 | 0 | 0 | 0 | 115.1 | ||||
| 522 | K | 41.4 | Very low | 37.8 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -169.2 | 167.6 | 158.3 | -111 | 164.9 | -172.4 | -179.6 | 0 | 111.5 | ||||
| 523 | P | 36.3 | Very low | 38.1 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | -133.9 | 166.5 | -109.7 | 41.9 | -25.1 | 0 | 0 | 0 | 118 | |||||
| 524 | R | 32.5 | Very low | 38.3 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | 32.9 | 116.8 | 142.5 | -171.1 | -177.2 | -173 | 168.5 | 2.6 | 119.2 | ||||
| 525 | S | 39.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -143 | 152.3 | 135.4 | -106.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 526 | Q | 36.5 | Very low | 37.9 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | trans | -112.8 | 132.1 | -173.6 | -66.5 | 165.2 | -112.8 | 0 | 0 | 110.8 | ||||
| 527 | V | 37.6 | Very low | 38 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -141.2 | 125.5 | 153.6 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 528 | N | 34 | Very low | 38.5 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -89.3 | 130.1 | 168.4 | -71.3 | -17.3 | 0 | 0 | 0 | 108.6 | ||||
| 529 | H | 39.2 | Very low | 38.6 | Very low | 179 Ų | 179 | 154 Ų | 154 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -102.2 | 93.3 | 168 | -75 | -59.8 | 0 | 0 | 0 | 110.5 | ||||
| 530 | T | 38.8 | Very low | 39 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 137.5 | 171.7 | -49.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 531 | R | 32.8 | Very low | 38.8 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127 | 179.7 | -169.2 | -171.2 | -153.6 | 175.3 | 9.6 | 112 | ||
| 532 | P | 40.7 | Very low | 38.6 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 147 | 169.5 | -11.3 | 28.5 | 0 | 0 | 0 | 112.5 | ||
| 533 | D | 41.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -106.8 | 125.3 | 174.9 | 177.2 | 19.2 | 0 | 0 | 0 | 110.2 | R535 | D533-R535 PolarHBondContact O-N 3.05Š| ||
| 534 | P | 38.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 69 | -173.8 | 34.1 | -37.5 | 0 | 0 | 0 | 113.4 | ||||
| 535 | R | 34.8 | Very low | 38.6 | Very low | 205 Ų | 205 | 144.4 Ų | 144.4 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -141.5 | 89.3 | 171.1 | -67.1 | -170.5 | -176.2 | -171.6 | 2.9 | 114.4 | D533 | D533-R535 PolarHBondContact O-N 3.05Š| ||
| 536 | Q | 39.9 | Very low | 38.7 | Very low | 198 Ų | 198 | 148 Ų | 148 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -167.2 | 140.6 | 145.4 | -110.2 | 145.3 | 103.4 | 0 | 0 | 112.2 | ||||
| 537 | I | 41.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 147 Ų | 147 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -109.1 | 120.9 | 173.7 | -61.5 | 167.3 | 0 | 0 | 0 | 107.1 | ||||
| 538 | P | 45.8 | Very low | 38.9 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 134.1 | 175.1 | 31.7 | -32.1 | 0 | 0 | 0 | 111.3 | ||
| 539 | P | 39.6 | Very low | 39.1 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 142.3 | 174.6 | 33.1 | -33.7 | 0 | 0 | 0 | 111.7 | ||
| 540 | I | 43.8 | Very low | 39.1 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 126.9 | 172.5 | -64.2 | 175.6 | 0 | 0 | 0 | 109.2 | ||
| 541 | Q | 41.3 | Very low | 39.1 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -108.8 | 146.9 | 173.7 | -72 | -164.9 | 8.3 | 0 | 0 | 113.3 | ||||
| 542 | R | 35.6 | Very low | 39.3 | Very low | 250 Ų | 250 | 145 Ų | 145 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -29.8 | 151.2 | 169.3 | -57.3 | 167 | 172.7 | -177.6 | -4 | 117.9 | ||||
| 543 | G | 35.7 | Very low | 39.3 | Very low | 78 Ų | 78 | 144.9 Ų | 144.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 169.2 | 117.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 544 | G | 37.2 | Very low | 39.1 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 92% | 0.918 | 83% | 0.833 | S | S | * | * | trans | 77.3 | 150.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 545 | G | 37.4 | Very low | 39.2 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | cis | 125.2 | 129.3 | 11.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 546 | E | 41.2 | Very low | 39.4 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 94% | 0.944 | 84% | 0.836 | S | S | * | * | cis | -137.9 | -171.5 | 14.2 | -61.5 | -178.4 | 105 | 0 | 0 | 112.4 | ||||
| 547 | S | 36.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -110.8 | 139.1 | -178.7 | -60 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 548 | V | 42.4 | Very low | 39.2 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -138.2 | 142.6 | 149.7 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 549 | R | 36.9 | Very low | 38.9 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -103.1 | 150.5 | 178 | -59.4 | 169.5 | 174.4 | 166.7 | -4.2 | 110.5 | ||||
| 550 | N | 38.9 | Very low | 38.8 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | -164.2 | 154.9 | 121.6 | -112.1 | -12.8 | 0 | 0 | 0 | 115.7 | |||||
| 551 | S | 40.2 | Very low | 38.4 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -81.5 | 167 | -176.1 | -42.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 552 | G | 37.1 | Very low | 38.3 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | 176.2 | 69.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 553 | S | 40.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 28.4 | 121.4 | 151.9 | 58.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 554 | N | 36.8 | Very low | 38.4 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -13 | 150.6 | 143 | -49.6 | -15 | 0 | 0 | 0 | 119.3 | ||||
| 555 | H | 40.7 | Very low | 38.6 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -149.2 | 160.4 | 134.4 | -120.8 | -80.1 | 0 | 0 | 0 | 112.7 | ||||
| 556 | T | 37.4 | Very low | 38.5 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -125.2 | 154.7 | -165.6 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 557 | G | 39.4 | Very low | 38.2 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 163.9 | 114.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 558 | V | 37.7 | Very low | 38.2 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | cis | 96.3 | 123.9 | 28.1 | 178.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 559 | S | 39.6 | Very low | 38 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 73.9 | 148.7 | 172.5 | -66 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 560 | K | 38 | Very low | 37.9 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | cis | -157.3 | 154.6 | -9.3 | -116.1 | 163 | -167.1 | 173.8 | 0 | 113.1 | ||||
| 561 | S | 34.9 | Very low | 38.3 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -19.8 | 157.9 | 162 | 54.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 562 | S | 39.1 | Very low | 38.1 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 107.2 | 147.6 | 151.3 | -59.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 563 | A | 38.5 | Very low | 38.3 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -166.7 | 162.7 | -23.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 564 | N | 35.4 | Very low | 38.2 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 5.2 | 134.5 | 159.2 | -48.9 | -15.9 | 0 | 0 | 0 | 118.2 | ||||
| 565 | H | 41 | Very low | 38.3 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | -164 | 160.1 | 79.4 | -142.3 | -89.3 | 0 | 0 | 0 | 117.2 | |||||
| 566 | V | 36.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -77.9 | 140 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 567 | N | 35.8 | Very low | 38.2 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | -168.3 | 162.7 | 119.3 | -134.4 | -28.4 | 0 | 0 | 0 | 115.7 | |||||
| 568 | S | 34.6 | Very low | 38.4 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -110.9 | 159 | 179.5 | -43.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 569 | K | 39.2 | Very low | 38.4 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | 175.8 | 136 | 125.3 | -94.5 | 156.8 | -174.5 | 178.8 | 0 | 116.2 | |||||
| 570 | N | 35.7 | Very low | 38.6 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -56.7 | 179.2 | 161.8 | -91.1 | -7.6 | 0 | 0 | 0 | 115 | ||||
| 571 | P | 47 | Very low | 38.6 | Very low | 96 Ų | 96 | 151.1 Ų | 151.1 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | cis | -145.7 | -163.4 | -41.4 | 43 | -24.3 | 0 | 0 | 0 | 114 | ||||
| 572 | N | 35.5 | Very low | 38.9 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 67.4 | 120.7 | 151.2 | -71.7 | -5.8 | 0 | 0 | 0 | 123.4 | ||||
| 573 | Q | 41.4 | Very low | 39 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 176.1 | 116.8 | 125.9 | -96.6 | 163.2 | 69.6 | 0 | 0 | 109.3 | |||||
| 574 | Q | 38.2 | Very low | 39.1 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | 68.4 | 101.6 | 74 | -80.2 | -162.5 | -8.6 | 0 | 0 | 117.1 | |||||
| 575 | R | 39.4 | Very low | 39.5 | Very low | 232 Ų | 232 | 154.9 Ų | 154.9 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | 159 | 157.2 | 148.9 | -95.2 | 173.7 | 169.9 | -170.3 | -2.8 | 110.1 | ||||
| 576 | N | 39.4 | Very low | 39.3 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | cis | -159.1 | 146.8 | -35.9 | -113.7 | 14.1 | 0 | 0 | 0 | 109.4 | ||||
| 577 | Q | 37.3 | Very low | 39.5 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -46.7 | 178.7 | 166.4 | -92.3 | -171.1 | 42.4 | 0 | 0 | 117.7 | ||||
| 578 | P | 43.6 | Very low | 39.8 | Very low | 90 Ų | 90 | 154.6 Ų | 154.6 | 58% | 0.584 | 79% | 0.792 | S | S | * | * | cis | -146 | -175.6 | -19.2 | 36.2 | -15.1 | 0 | 0 | 0 | 117.1 | ||||
| 579 | N | 37 | Very low | 39.7 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | 61.1 | 132 | 143.7 | -71.4 | -18.3 | 0 | 0 | 0 | 123.1 | ||||
| 580 | H | 43.3 | Very low | 39.9 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | -160.1 | 170.8 | 116.4 | -111.1 | -82.6 | 0 | 0 | 0 | 112 | |||||
| 581 | R | 38.3 | Very low | 39.9 | Very low | 228 Ų | 228 | 152.3 Ų | 152.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -88.9 | 178.6 | -174.7 | -59.1 | 175.3 | 176.9 | 161.4 | -2.8 | 111.3 | ||||
| 582 | S | 41.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 155.8 Ų | 155.8 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | -164.4 | 164.7 | 22 | -27.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 583 | D | 40.1 | Very low | 39.7 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 59.5 | 147.5 | 142.7 | -57.3 | -25.2 | 0 | 0 | 0 | 121.3 | ||||
| 584 | S | 42 | Very low | 39.8 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | cis | -163.7 | 162 | -10.2 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 585 | M | 43.6 | Very low | 40.1 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 96% | 0.956 | 80% | 0.803 | S | S | * | * | trans | 56.7 | 152.9 | 165.8 | -50.6 | -160.3 | -166.8 | 0 | 0 | 118.3 | ||||
| 586 | G | 37.1 | Very low | 40.1 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | -178 | 149.5 | -6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 587 | P | 40.3 | Very low | 40.6 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -89.8 | 144.1 | -160.5 | 33.7 | -36.2 | 0 | 0 | 0 | 115.4 | ||||
| 588 | R | 40.7 | Very low | 40.9 | Very low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -143.7 | 110.5 | 157.7 | -81.9 | -168 | 170.3 | 177.6 | -2 | 111.6 | ||||
| 589 | G | 33.8 | Very low | 40.8 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -89 | 144.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 590 | Q | 43.9 | Very low | 41 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | trans | -136.3 | 111.1 | 168.1 | -75.2 | -169.3 | -28.8 | 0 | 0 | 110.1 | ||||
| 591 | N | 35.8 | Very low | 40.9 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | -72.4 | 128.3 | 163.1 | -73.1 | -28.4 | 0 | 0 | 0 | 108.6 | ||||
| 592 | M | 41.2 | Very low | 41 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | trans | -135 | 101.4 | 167.1 | -75.5 | -66 | -79.5 | 0 | 0 | 109.6 | ||||
| 593 | C | 35.3 | Very low | 41 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 90% | 0.899 | 84% | 0.837 | S | S | * | * | trans | -84.1 | 135.1 | 161.8 | -66.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 594 | A | 44.4 | Very low | 41 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -139.3 | 149 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 595 | P | 44.8 | Very low | 41 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 85% | 0.852 | S | S | * | * | trans | -96.5 | 163.7 | -154.4 | 36.8 | -37.3 | 0 | 0 | 0 | 115.8 | ||||
| 596 | I | 38.7 | Very low | 40.8 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 87% | 0.867 | 84% | 0.844 | S | S | * | * | trans | -69.5 | 143.3 | 167.7 | -67 | 166.2 | 0 | 0 | 0 | 110.4 | ||||
| 597 | V | 50.1 | Low | 41.1 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 79% | 0.788 | 85% | 0.854 | S | S | * | * | trans | -135.7 | 112.2 | 171.4 | 178.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 598 | S | 44.2 | Very low | 41.1 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 100% | 1.133 | 85% | 0.853 | S | S | * | * | trans | -171.5 | 0 | 162.6 | -80.2 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 598 of 598 residues in 207.2 ms
(Link to these results)