| 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 | R | 82.6 | Confident | 95.7 | Very high | 283 Ų | 283 | 95.1 Ų | 95.1 | 100% | 1.068 | 45% | 0.453 | S | S | * | . | 0 | 126.5 | 0 | 178.9 | 177.8 | 178.6 | 177.7 | -0.5 | 106.3 | |||||
| 2 | F | 92.1 | Very high | 95.9 | Very high | 166 Ų | 166 | 93.3 Ų | 93.3 | 73% | 0.728 | 44% | 0.442 | S | S | * | . | trans | -95 | 150.6 | 177.5 | -59.5 | -82.7 | 0 | 0 | 0 | 109.8 | H27 N28 | F2-H27 AromaticContact CD1-NE2 3.76Å; F2-N28 VanDerWaalsContact CA-OD1 3.31Å; F2-N28 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 3 | L | 96.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 93.8 Ų | 93.8 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | trans | -133.5 | 122.9 | 175.3 | 177.7 | 67.7 | 0 | 0 | 0 | 108.6 | Y5 N28 | L3-Y5 HydrophobicContact CD2-CD1 3.94Å; L3-Y5 HydrophobicContact CD2-CE1 4.11Å; L3-Y5 HydrophobicContact CG-CD1 3.95Å; L3-Y5 HydrophobicContact CG-CE1 4.5Å; L3-N28 PolarHBondContact N-OD1 3.05Å; L3-N28 PolarHBondContact O-N 2.8Å | ||
| 4 | E | 95.9 | Very high | 95.8 | Very high | 107 Ų | 107 | 97.1 Ų | 97.1 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.9 | 170.1 | -165.5 | 67.9 | -152.5 | 0 | 0 | 108.1 | F26 H27 | E4-F26 WeakPolarHBondContact CA-O 3.43Å; E4-F26 VanDerWaalsContact CD-O 3.24Å; E4-H27 IonicContact OE2-CE1 3.46Å; E4-H27 IonicContact OE2-CG 3.45Å; E4-H27 IonicContact OE2-ND1 3.15Å; E4-H27 PolarHBondContact OE2-ND1 2.87Å |
| 5 | Y | 97.1 | Very high | 95.6 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 162.3 | 174.3 | 66.7 | -81.7 | 0 | 0 | 0 | 111.4 | L3 T7 F26 | L3-Y5 HydrophobicContact CD2-CD1 3.94Å; L3-Y5 HydrophobicContact CD2-CE1 4.11Å; L3-Y5 HydrophobicContact CG-CD1 3.95Å; L3-Y5 HydrophobicContact CG-CE1 4.5Å; Y5-T7 HydrophobicContact CD2-CG2 4.32Å; Y5-T7 HydrophobicContact CE2-CG2 4.3Å; Y5-F26 HydrophobicContact CD1-CB 3.83Å; Y5-F26 HydrophobicContact CD2-CB 4.15Å; Y5-F26 AromaticContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CE2 4.48Å; Y5-F26 HydrophobicContact CD2-CG 4.19Å; Y5-F26 HydrophobicContact CE1-CB 3.46Å; Y5-F26 VanDerWaalsContact CE1-CB 3.46Å; Y5-F26 HydrophobicContact CE1-CG 4.07Å; Y5-F26 HydrophobicContact CE2-CB 3.78Å; Y5-F26 HydrophobicContact CE2-CD1 4.22Å; Y5-F26 AromaticContact CE2-CD2 3.35Å; Y5-F26 HydrophobicContact CE2-CD2 3.35Å; Y5-F26 AromaticContact CE2-CE2 3.89Å; Y5-F26 HydrophobicContact CE2-CE2 3.89Å; Y5-F26 AromaticContact CE2-CG 3.54Å; Y5-F26 HydrophobicContact CE2-CG 3.54Å; Y5-F26 HydrophobicContact CG-CB 4.18Å; Y5-F26 VanDerWaalsContact CZ-CB 3.42Å; Y5-F26 AromaticContact CZ-CD1 3.92Å; Y5-F26 AromaticContact CZ-CD2 3.83Å; Y5-F26 AromaticContact CZ-CG 3.47Å; Y5-F26 VanDerWaalsContact CZ-CG 3.47Å; Y5-F26 PolarHBondContact N-O 3.12Å; Y5-F26 PolarHBondContact O-N 2.95Å; Y5-F26 WeakPolarHBondContact OH-CD1 2.99Å |
| 6 | S | 97.3 | Very high | 95.7 | Very high | 65 Ų | 65 | 90.5 Ų | 90.5 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160.2 | 172.3 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | R24 | S6-R24 CarbonylContact C-O 3.53Å; S6-R24 WeakPolarHBondContact CA-O 3.21Å; S6-R24 VanDerWaalsContact CB-O 3.25Å; S6-R24 WeakPolarHBondContact CB-O 3.49Å |
| 7 | T | 98.2 | Very high | 95.6 | Very high | 41 Ų | 41 | 94 Ų | 94 | 25% | 0.252 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.3 | 172.4 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | Y5 E9 D23 R24 F26 | Y5-T7 HydrophobicContact CD2-CG2 4.32Å; Y5-T7 HydrophobicContact CE2-CG2 4.3Å; T7-E9 PolarHBondContact OG1-OE1 3.32Å; T7-D23 WeakPolarHBondContact O-CA 3.32Å; T7-R24 PolarHBondContact N-O 2.82Å; T7-R24 PolarHBondContact O-N 2.62Å; T7-F26 HydrophobicContact CG2-CE2 3.98Å |
| 8 | S | 98.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 98.4 | 172.4 | -50.8 | 0 | 0 | 0 | 0 | 108.3 | L22 D23 | S8-L22 CarbonylContact C-O 3.6Å; S8-L22 WeakPolarHBondContact CA-O 3.5Å; S8-D23 PolarHBondContact OG-OD1 2.75Å |
| 9 | E | 98.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 92.1 Ų | 92.1 | 23% | 0.234 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.7 | -173.1 | -50.4 | 174.2 | -164.7 | 0 | 0 | 110.8 | T7 H11 F21 L22 R24 | T7-E9 PolarHBondContact OG1-OE1 3.32Å; E9-H11 IonicContact OE2-CD2 3.11Å; E9-H11 IonicContact OE2-CE1 3.07Å; E9-H11 IonicContact OE2-NE2 3.82Å; E9-H11 PolarHBondContact OE2-NE2 3.31Å; E9-F21 WeakPolarHBondContact O-CA 3.44Å; E9-F21 WeakPolarHBondContact O-CD2 3.49Å; E9-L22 HydrophobicContact CB-CB 4.22Å; E9-L22 PolarHBondContact N-O 2.8Å; E9-L22 PolarHBondContact O-N 2.89Å; E9-R24 WeakPolarHBondContact OE1-CD 3.38Å; E9-R24 IonicContact OE1-CZ 2.72Å; E9-R24 IonicContact OE1-NE 3.71Å; E9-R24 IonicContact OE1-NH1 3.54Å; E9-R24 PolarHBondContact OE1-NH1 2.94Å |
| 10 | C | 98.4 | Very high | 96 | Very high | 34 Ų | 34 | 91.2 Ų | 91.2 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.2 | 173.1 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | F12 C74 | C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.57Å; C10-F12 WeakPolarHBondContact O-CD2 3.27Å; C10-F12 WeakPolarHBondContact O-CE2 3.44Å; C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.46Å; C10-C74 WeakPolarHBondContact SG-CA 3.22Å; C10-C74 WeakPolarHBondContact SG-CB 3.5Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.02Å |
| 11 | H | 98.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 87.4 Ų | 87.4 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.1 | 179.2 | -64.4 | -94.6 | 0 | 0 | 0 | 109.4 | E9 F13 V19 R20 | E9-H11 IonicContact OE2-CD2 3.11Å; E9-H11 IonicContact OE2-CE1 3.07Å; E9-H11 IonicContact OE2-NE2 3.82Å; E9-H11 PolarHBondContact OE2-NE2 3.31Å; H11-F13 HydrophobicContact CB-CE2 3.92Å; H11-F13 HydrophobicContact CB-CZ 4.15Å; H11-V19 WeakPolarHBondContact O-CA 3.3Å; H11-R20 HydrophobicContact CB-CB 4.32Å; H11-R20 PolarHBondContact N-O 2.87Å; H11-R20 PolarHBondContact O-N 3.19Å |
| 12 | F | 97.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 74.4 Ų | 74.4 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.1 | -173.9 | -62.9 | -83.3 | 0 | 0 | 0 | 110.6 | C10 G15 T16 V19 C74 Y78 | C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.57Å; C10-F12 WeakPolarHBondContact O-CD2 3.27Å; C10-F12 WeakPolarHBondContact O-CE2 3.44Å; F12-G15 WeakPolarHBondContact CB-O 3.41Å; F12-T16 HydrophobicContact CD1-CG2 4.36Å; F12-V19 HydrophobicContact CD1-CG1 4.16Å; F12-V19 HydrophobicContact CD1-CG2 3.79Å; F12-V19 HydrophobicContact CE1-CG1 3.97Å; F12-V19 HydrophobicContact CE1-CG2 4.09Å; F12-C74 HydrophobicContact CE1-CB 4.25Å; F12-C74 HydrophobicContact CZ-CB 4.06Å; F12-Y78 AromaticContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CE2 4.12Å; F12-Y78 HydrophobicContact CD1-CG 4.2Å; F12-Y78 HydrophobicContact CD2-CD2 4.06Å; F12-Y78 AromaticContact CE1-CD2 3.55Å; F12-Y78 HydrophobicContact CE1-CD2 3.55Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.03Å; F12-Y78 AromaticContact CG-CD2 3.83Å; F12-Y78 HydrophobicContact CG-CD2 3.83Å; F12-Y78 HydrophobicContact CG-CE2 4.15Å; F12-Y78 AromaticContact CZ-CD2 3.79Å; F12-Y78 HydrophobicContact CZ-CD2 3.79Å; F12-Y78 HydrophobicContact CZ-CG 4.21Å |
| 13 | F | 96.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.6 | 177.2 | -54.4 | -85.8 | 0 | 0 | 0 | 109.4 | H11 R18 | H11-F13 HydrophobicContact CB-CE2 3.92Å; H11-F13 HydrophobicContact CB-CZ 4.15Å; F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CG 4.24Å; F13-R18 PolarHBondContact N-O 3.48Å; F13-R18 PolarHBondContact O-N 3.33Å |
| 14 | N | 94.8 | Very high | 97.3 | Very high | 140 Ų | 140 | 65.8 Ų | 65.8 | 75% | 0.749 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 54.9 | -174.5 | -62.3 | -15.3 | 0 | 0 | 0 | 112.1 | T16 E17 | N14-T16 PolarHBondContact O-N 2.84Å; N14-E17 HydrophobicContact CB-CB 4.42Å |
| 15 | G | 92.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | -123.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F12 | F12-G15 WeakPolarHBondContact CB-O 3.41Š|
| 16 | T | 96.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.7 | -177.4 | 56 | 0 | 0 | 0 | 0 | 113.9 | F12 N14 R75 Y78 | F12-T16 HydrophobicContact CD1-CG2 4.36Å; N14-T16 PolarHBondContact O-N 2.84Å; T16-R75 PolarHBondContact O-NE 2.92Å; T16-Y78 HydrophobicContact CG2-CD1 3.33Å; T16-Y78 HydrophobicContact CG2-CD2 4.21Å; T16-Y78 HydrophobicContact CG2-CE1 3.63Å; T16-Y78 HydrophobicContact CG2-CE2 4.44Å; T16-Y78 HydrophobicContact CG2-CG 3.67Å |
| 17 | E | 95.1 | Very high | 97.4 | Very high | 150 Ų | 150 | 59.6 Ų | 59.6 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -58.3 | 179.6 | -174.8 | -177 | 179 | 0 | 0 | 110.5 | N14 R75 | N14-E17 HydrophobicContact CB-CB 4.42Å; E17-R75 PolarHBondContact O-NH2 3.09Å |
| 18 | R | 97.4 | Very high | 97.3 | Very high | 143 Ų | 143 | 60.8 Ų | 60.8 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.5 | 171.9 | -178.4 | 179.8 | 178 | -173.4 | -1.3 | 109.6 | F13 D38 | F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CG 4.24Å; F13-R18 PolarHBondContact N-O 3.48Å; F13-R18 PolarHBondContact O-N 3.33Å; R18-D38 IonicContact NH2-OD2 2.85Å; R18-D38 PolarHBondContact NH2-OD2 3.42Å; R18-D38 VanDerWaalsContact NH2-OD2 3.07Å |
| 19 | V | 98.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.2 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | H11 F12 V70 C74 R75 | H11-V19 WeakPolarHBondContact O-CA 3.3Å; F12-V19 HydrophobicContact CD1-CG1 4.16Å; F12-V19 HydrophobicContact CD1-CG2 3.79Å; F12-V19 HydrophobicContact CE1-CG1 3.97Å; F12-V19 HydrophobicContact CE1-CG2 4.09Å; V19-V70 HydrophobicContact CB-CG1 3.73Å; V19-V70 HydrophobicContact CG1-CG1 3.87Å; V19-V70 WeakPolarHBondContact O-CG1 3.36Å; V19-C74 HydrophobicContact CG1-CB 3.57Å; V19-R75 HydrophobicContact CG2-CG 3.94Å |
| 20 | R | 98.4 | Very high | 97 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.7 | 173 | -180 | -177.8 | 178.3 | -161 | 5.9 | 109.3 | H11 D36 S37 | H11-R20 HydrophobicContact CB-CB 4.32Å; H11-R20 PolarHBondContact N-O 2.87Å; H11-R20 PolarHBondContact O-N 3.19Å; R20-D36 IonicContact CZ-OD1 3.82Å; R20-D36 IonicContact CZ-OD2 3.56Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.41Å; R20-D36 IonicContact NE-OD2 3.74Å; R20-D36 PolarHBondContact NE-OD2 3.03Å; R20-D36 IonicContact NH2-OD1 3.74Å; R20-D36 IonicContact NH2-OD2 2.65Å; R20-D36 PolarHBondContact NH2-OD2 2.77Å; R20-S37 WeakPolarHBondContact CA-OG 3.26Å |
| 21 | F | 98.8 | Very high | 97 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.9 | 174.5 | 178 | -114.7 | 0 | 0 | 0 | 109.9 | E9 D23 F35 S37 A69 V70 Y73 C74 | E9-F21 WeakPolarHBondContact O-CA 3.44Å; E9-F21 WeakPolarHBondContact O-CD2 3.49Å; F21-D23 HydrophobicContact CE1-CB 3.84Å; F21-D23 HydrophobicContact CZ-CB 3.86Å; F21-F35 HydrophobicContact CD1-CD1 4Å; F21-F35 HydrophobicContact CD1-CE1 4.15Å; F21-F35 HydrophobicContact CE1-CD1 4.29Å; F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 3Å; F21-S37 PolarHBondContact O-OG 3.12Å; F21-A69 HydrophobicContact CD1-CB 3.58Å; F21-A69 HydrophobicContact CD2-CB 4.44Å; F21-A69 HydrophobicContact CE1-CB 3.48Å; F21-A69 VanDerWaalsContact CE1-CB 3.48Å; F21-A69 HydrophobicContact CE2-CB 4.34Å; F21-A69 HydrophobicContact CG-CB 4.07Å; F21-A69 HydrophobicContact CZ-CB 3.88Å; F21-V70 HydrophobicContact CB-CG2 3.89Å; F21-Y73 HydrophobicContact CD2-CD1 4.49Å; F21-Y73 HydrophobicContact CE2-CD1 4.02Å; F21-Y73 HydrophobicContact CE2-CE1 4.39Å; F21-C74 WeakPolarHBondContact CD2-SG 3.34Å |
| 22 | L | 98.4 | Very high | 97 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.1 | 174.2 | -74.2 | 167.3 | 0 | 0 | 0 | 108.9 | S8 E9 R24 F35 D36 | S8-L22 CarbonylContact C-O 3.6Å; S8-L22 WeakPolarHBondContact CA-O 3.5Å; E9-L22 HydrophobicContact CB-CB 4.22Å; E9-L22 PolarHBondContact N-O 2.8Å; E9-L22 PolarHBondContact O-N 2.89Å; L22-R24 HydrophobicContact CB-CG 4.34Å; L22-F35 WeakPolarHBondContact CA-O 3.41Å; L22-D36 HydrophobicContact CD2-CB 3.66Å |
| 23 | D | 98.5 | Very high | 97 | Very high | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.4 | 172.1 | -163.2 | 41.2 | 0 | 0 | 0 | 108.4 | T7 S8 F21 Y25 R34 F35 | T7-D23 WeakPolarHBondContact O-CA 3.32Å; S8-D23 PolarHBondContact OG-OD1 2.75Å; F21-D23 HydrophobicContact CE1-CB 3.84Å; F21-D23 HydrophobicContact CZ-CB 3.86Å; D23-Y25 HydrophobicContact CB-CE2 4.5Å; D23-Y25 VanDerWaalsContact OD2-CE2 3.29Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.38Å; D23-Y25 VanDerWaalsContact OD2-CZ 3.3Å; D23-Y25 PolarHBondContact OD2-OH 2.82Å; D23-R34 CarbonylContact O-C 3.42Å; D23-R34 WeakPolarHBondContact O-CA 3.44Å; D23-F35 HydrophobicContact CB-CB 4.2Å; D23-F35 PolarHBondContact N-O 2.99Å; D23-F35 PolarHBondContact O-N 2.89Å |
| 24 | R | 98.5 | Very high | 97.1 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.4 | -167 | -54.2 | 168.9 | 72 | -166.2 | -0.8 | 110.1 | S6 T7 E9 L22 F26 E31 R34 | S6-R24 CarbonylContact C-O 3.53Å; S6-R24 WeakPolarHBondContact CA-O 3.21Å; S6-R24 VanDerWaalsContact CB-O 3.25Å; S6-R24 WeakPolarHBondContact CB-O 3.49Å; T7-R24 PolarHBondContact N-O 2.82Å; T7-R24 PolarHBondContact O-N 2.62Å; E9-R24 WeakPolarHBondContact OE1-CD 3.38Å; E9-R24 IonicContact OE1-CZ 2.72Å; E9-R24 IonicContact OE1-NE 3.71Å; E9-R24 IonicContact OE1-NH1 3.54Å; E9-R24 PolarHBondContact OE1-NH1 2.94Å; L22-R24 HydrophobicContact CB-CG 4.34Å; R24-F26 HydrophobicContact CB-CD2 4.46Å; R24-F26 HydrophobicContact CB-CE2 3.58Å; R24-F26 HydrophobicContact CB-CZ 3.94Å; R24-E31 HydrophobicContact CB-CG 4.49Å; R24-E31 WeakPolarHBondContact CG-OE1 3.25Å; R24-E31 IonicContact CZ-OE1 3.46Å; R24-E31 IonicContact CZ-OE2 3.46Å; R24-E31 VanDerWaalsContact NE-CD 3.28Å; R24-E31 IonicContact NE-OE1 3.48Å; R24-E31 PolarHBondContact NE-OE1 2.88Å; R24-E31 IonicContact NE-OE2 3.48Å; R24-E31 PolarHBondContact NE-OE2 2.83Å; R24-E31 IonicContact NH2-OE1 3.67Å; R24-E31 IonicContact NH2-OE2 2.65Å; R24-E31 PolarHBondContact NH2-OE2 3.35Å; R24-R34 HydrophobicContact CB-CB 4.48Å; R24-R34 HydrophobicContact CG-CB 4.11Å |
| 25 | Y | 98.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 53 Ų | 53 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.3 | -176 | -63.2 | -101.4 | 0 | 0 | 0 | 109.8 | D23 E31 N32 V33 F42 W56 | D23-Y25 HydrophobicContact CB-CE2 4.5Å; D23-Y25 VanDerWaalsContact OD2-CE2 3.29Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.38Å; D23-Y25 VanDerWaalsContact OD2-CZ 3.3Å; D23-Y25 PolarHBondContact OD2-OH 2.82Å; Y25-E31 CarbonylContact O-C 3.58Å; Y25-E31 VanDerWaalsContact O-CA 3.3Å; Y25-E31 WeakPolarHBondContact O-CA 3.46Å; Y25-N32 WeakPolarHBondContact CB-OD1 3.5Å; Y25-N32 PolarHBondContact O-N 3.44Å; Y25-N32 PolarHBondContact O-OD1 2.91Å; Y25-V33 HydrophobicContact CD2-CG1 3.91Å; Y25-V33 HydrophobicContact CG-CG1 3.93Å; Y25-V33 PolarHBondContact N-O 3.35Å; Y25-F42 HydrophobicContact CE2-CE1 4.29Å; Y25-W56 AromaticContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CZ3 4.37Å; Y25-W56 HydrophobicContact CD2-CH2 4.09Å; Y25-W56 AromaticContact CD2-CZ3 3.82Å; Y25-W56 HydrophobicContact CD2-CZ3 3.82Å; Y25-W56 AromaticContact CE1-CH2 3.69Å; Y25-W56 HydrophobicContact CE1-CH2 3.69Å; Y25-W56 HydrophobicContact CE1-CZ3 4.21Å; Y25-W56 HydrophobicContact CE2-CH2 4.03Å; Y25-W56 AromaticContact CE2-CZ3 3.68Å; Y25-W56 HydrophobicContact CE2-CZ3 3.68Å; Y25-W56 HydrophobicContact CG-CH2 4.01Å; Y25-W56 HydrophobicContact CG-CZ3 4.2Å; Y25-W56 AromaticContact CZ-CH2 3.83Å; Y25-W56 AromaticContact CZ-CZ3 3.89Å |
| 26 | F | 98.1 | Very high | 97.6 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.6 | -170.2 | -60.5 | -98.1 | 0 | 0 | 0 | 112.5 | E4 Y5 T7 R24 E30 E31 | E4-F26 WeakPolarHBondContact CA-O 3.43Å; E4-F26 VanDerWaalsContact CD-O 3.24Å; Y5-F26 HydrophobicContact CD1-CB 3.83Å; Y5-F26 HydrophobicContact CD2-CB 4.15Å; Y5-F26 AromaticContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CE2 4.48Å; Y5-F26 HydrophobicContact CD2-CG 4.19Å; Y5-F26 HydrophobicContact CE1-CB 3.46Å; Y5-F26 VanDerWaalsContact CE1-CB 3.46Å; Y5-F26 HydrophobicContact CE1-CG 4.07Å; Y5-F26 HydrophobicContact CE2-CB 3.78Å; Y5-F26 HydrophobicContact CE2-CD1 4.22Å; Y5-F26 AromaticContact CE2-CD2 3.35Å; Y5-F26 HydrophobicContact CE2-CD2 3.35Å; Y5-F26 AromaticContact CE2-CE2 3.89Å; Y5-F26 HydrophobicContact CE2-CE2 3.89Å; Y5-F26 AromaticContact CE2-CG 3.54Å; Y5-F26 HydrophobicContact CE2-CG 3.54Å; Y5-F26 HydrophobicContact CG-CB 4.18Å; Y5-F26 VanDerWaalsContact CZ-CB 3.42Å; Y5-F26 AromaticContact CZ-CD1 3.92Å; Y5-F26 AromaticContact CZ-CD2 3.83Å; Y5-F26 AromaticContact CZ-CG 3.47Å; Y5-F26 VanDerWaalsContact CZ-CG 3.47Å; Y5-F26 PolarHBondContact N-O 3.12Å; Y5-F26 PolarHBondContact O-N 2.95Å; Y5-F26 WeakPolarHBondContact OH-CD1 2.99Å; T7-F26 HydrophobicContact CG2-CE2 3.98Å; R24-F26 HydrophobicContact CB-CD2 4.46Å; R24-F26 HydrophobicContact CB-CE2 3.58Å; R24-F26 HydrophobicContact CB-CZ 3.94Å; F26-E30 CarbonylContact C-O 3.58Å; F26-E30 VanDerWaalsContact CA-O 3.27Å; F26-E30 WeakPolarHBondContact CA-O 3.37Å; F26-E31 HydrophobicContact CD1-CB 3.69Å; F26-E31 HydrophobicContact CD1-CG 4.25Å; F26-E31 HydrophobicContact CE1-CB 3.57Å; F26-E31 HydrophobicContact CE1-CG 3.97Å; F26-E31 HydrophobicContact CZ-CB 4.32Å; F26-E31 HydrophobicContact CZ-CG 4.22Å |
| 27 | H | 96.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.5 | 167.9 | -169 | 72.6 | 0 | 0 | 0 | 110.2 | F2 E4 Q29 E30 L48 | F2-H27 AromaticContact CD1-NE2 3.76Å; E4-H27 IonicContact OE2-CE1 3.46Å; E4-H27 IonicContact OE2-CG 3.45Å; E4-H27 IonicContact OE2-ND1 3.15Å; E4-H27 PolarHBondContact OE2-ND1 2.87Å; H27-Q29 VanDerWaalsContact C-N 3.28Å; H27-Q29 PolarHBondContact O-N 3.28Å; H27-E30 PolarHBondContact N-O 3.45Å; H27-E30 WeakPolarHBondContact O-CB 3.3Å; H27-E30 PolarHBondContact O-N 2.93Å; H27-L48 HydrophobicContact CB-CD2 4.1Å |
| 28 | N | 94.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 44.3 | -178.4 | -54.6 | -44.1 | 0 | 0 | 0 | 114.3 | F2 L3 E30 | F2-N28 VanDerWaalsContact CA-OD1 3.31Å; F2-N28 WeakPolarHBondContact CA-OD1 3.45Å; L3-N28 PolarHBondContact N-OD1 3.05Å; L3-N28 PolarHBondContact O-N 2.8Å; N28-E30 PolarHBondContact O-N 3.03Å |
| 29 | Q | 94.4 | Very high | 97.9 | Very high | 158 Ų | 158 | 43.8 Ų | 43.8 | 74% | 0.738 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -6.3 | -176.6 | -47.7 | 172.6 | -14.6 | 0 | 0 | 115.3 | H27 | H27-Q29 VanDerWaalsContact C-N 3.28Å; H27-Q29 PolarHBondContact O-N 3.28Å |
| 30 | E | 97 | Very high | 97.9 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.5 | 170 | -175.9 | 176.8 | -150.6 | 0 | 0 | 109.3 | F26 H27 N28 N32 T46 | F26-E30 CarbonylContact C-O 3.58Å; F26-E30 VanDerWaalsContact CA-O 3.27Å; F26-E30 WeakPolarHBondContact CA-O 3.37Å; H27-E30 PolarHBondContact N-O 3.45Å; H27-E30 WeakPolarHBondContact O-CB 3.3Å; H27-E30 PolarHBondContact O-N 2.93Å; N28-E30 PolarHBondContact O-N 3.03Å; E30-N32 PolarHBondContact O-N 3.26Å; E30-T46 HydrophobicContact CG-CG2 3.95Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å |
| 31 | E | 98.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 122.9 | 172.7 | -171 | -179 | -179.5 | 0 | 0 | 110 | R24 Y25 F26 R34 V45 T46 | R24-E31 HydrophobicContact CB-CG 4.49Å; R24-E31 WeakPolarHBondContact CG-OE1 3.25Å; R24-E31 IonicContact CZ-OE1 3.46Å; R24-E31 IonicContact CZ-OE2 3.46Å; R24-E31 VanDerWaalsContact NE-CD 3.28Å; R24-E31 IonicContact NE-OE1 3.48Å; R24-E31 PolarHBondContact NE-OE1 2.88Å; R24-E31 IonicContact NE-OE2 3.48Å; R24-E31 PolarHBondContact NE-OE2 2.83Å; R24-E31 IonicContact NH2-OE1 3.67Å; R24-E31 IonicContact NH2-OE2 2.65Å; R24-E31 PolarHBondContact NH2-OE2 3.35Å; Y25-E31 CarbonylContact O-C 3.58Å; Y25-E31 VanDerWaalsContact O-CA 3.3Å; Y25-E31 WeakPolarHBondContact O-CA 3.46Å; F26-E31 HydrophobicContact CD1-CB 3.69Å; F26-E31 HydrophobicContact CD1-CG 4.25Å; F26-E31 HydrophobicContact CE1-CB 3.57Å; F26-E31 HydrophobicContact CE1-CG 3.97Å; F26-E31 HydrophobicContact CZ-CB 4.32Å; F26-E31 HydrophobicContact CZ-CG 4.22Å; E31-R34 IonicContact OE1-CZ 3.89Å; E31-R34 IonicContact OE1-NE 3.34Å; E31-R34 PolarHBondContact OE1-NE 2.77Å; E31-R34 IonicContact OE1-NH2 3.44Å; E31-R34 PolarHBondContact OE1-NH2 2.83Å; E31-R34 IonicContact OE2-CZ 2.78Å; E31-R34 IonicContact OE2-NE 3.69Å; E31-R34 IonicContact OE2-NH2 2.69Å; E31-R34 PolarHBondContact OE2-NH2 3.16Å; E31-V45 HydrophobicContact CB-CG1 4.44Å; E31-V45 HydrophobicContact CG-CB 4.42Å; E31-V45 HydrophobicContact CG-CG2 4.05Å; E31-V45 WeakPolarHBondContact O-CB 3.1Å; E31-T46 WeakPolarHBondContact O-CG2 3.27Å |
| 32 | N | 97.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -40.5 | -174.2 | 54.4 | 25.9 | 0 | 0 | 0 | 112.9 | Y25 E30 V45 T46 L48 G49 | Y25-N32 WeakPolarHBondContact CB-OD1 3.5Å; Y25-N32 PolarHBondContact O-N 3.44Å; Y25-N32 PolarHBondContact O-OD1 2.91Å; E30-N32 PolarHBondContact O-N 3.26Å; N32-V45 PolarHBondContact O-N 2.76Å; N32-T46 WeakPolarHBondContact CA-OG1 3.43Å; N32-T46 PolarHBondContact O-N 3.49Å; N32-L48 HydrophobicContact CB-CB 4.27Å; N32-L48 HydrophobicContact CB-CD2 4.26Å; N32-L48 HydrophobicContact CB-CG 4.4Å; N32-G49 WeakPolarHBondContact O-CA 3.38Å |
| 33 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 148.9 | 177.9 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | Y25 F42 R43 D52 A53 W56 | Y25-V33 HydrophobicContact CD2-CG1 3.91Å; Y25-V33 HydrophobicContact CG-CG1 3.93Å; Y25-V33 PolarHBondContact N-O 3.35Å; V33-F42 HydrophobicContact CG2-CB 4.26Å; V33-F42 HydrophobicContact CG2-CD1 4.43Å; V33-R43 WeakPolarHBondContact CA-O 2.9Å; V33-D52 HydrophobicContact CG1-CB 4.31Å; V33-A53 HydrophobicContact CG2-CB 3.99Å; V33-W56 HydrophobicContact CB-CZ3 4.47Å; V33-W56 HydrophobicContact CG1-CE3 4.36Å; V33-W56 HydrophobicContact CG1-CH2 3.87Å; V33-W56 HydrophobicContact CG1-CZ3 3.47Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.47Å; V33-W56 HydrophobicContact CG2-CE3 4.27Å; V33-W56 HydrophobicContact CG2-CZ3 4.11Å |
| 34 | R | 98.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150.5 | 173.8 | 67.6 | 173.7 | 69.4 | 168.6 | 6.2 | 112.7 | D23 R24 E31 F42 R43 V45 | D23-R34 CarbonylContact O-C 3.42Å; D23-R34 WeakPolarHBondContact O-CA 3.44Å; R24-R34 HydrophobicContact CB-CB 4.48Å; R24-R34 HydrophobicContact CG-CB 4.11Å; E31-R34 IonicContact OE1-CZ 3.89Å; E31-R34 IonicContact OE1-NE 3.34Å; E31-R34 PolarHBondContact OE1-NE 2.77Å; E31-R34 IonicContact OE1-NH2 3.44Å; E31-R34 PolarHBondContact OE1-NH2 2.83Å; E31-R34 IonicContact OE2-CZ 2.78Å; E31-R34 IonicContact OE2-NE 3.69Å; E31-R34 IonicContact OE2-NH2 2.69Å; E31-R34 PolarHBondContact OE2-NH2 3.16Å; R34-F42 CarbonylContact O-C 3.46Å; R34-F42 VanDerWaalsContact O-CA 3.25Å; R34-F42 WeakPolarHBondContact O-CA 3.22Å; R34-R43 PolarHBondContact N-O 2.94Å; R34-R43 PolarHBondContact O-N 2.88Å; R34-V45 HydrophobicContact CB-CG2 4.45Å; R34-V45 HydrophobicContact CG-CG2 3.95Å |
| 35 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.3 | 157.4 | -180 | -92.9 | 0 | 0 | 0 | 109.5 | F21 L22 D23 F42 L63 A66 R67 | F21-F35 HydrophobicContact CD1-CD1 4Å; F21-F35 HydrophobicContact CD1-CE1 4.15Å; F21-F35 HydrophobicContact CE1-CD1 4.29Å; L22-F35 WeakPolarHBondContact CA-O 3.41Å; D23-F35 HydrophobicContact CB-CB 4.2Å; D23-F35 PolarHBondContact N-O 2.99Å; D23-F35 PolarHBondContact O-N 2.89Å; F35-F42 HydrophobicContact CB-CD1 3.66Å; F35-F42 HydrophobicContact CB-CE1 3.59Å; F35-F42 HydrophobicContact CB-CG 4.21Å; F35-F42 HydrophobicContact CB-CZ 4.03Å; F35-F42 HydrophobicContact CD2-CD2 4.04Å; F35-F42 AromaticContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CG 4.32Å; F35-F42 HydrophobicContact CD2-CZ 4.27Å; F35-F42 HydrophobicContact CG-CE1 4.45Å; F35-F42 HydrophobicContact CG-CZ 4.43Å; F35-L63 HydrophobicContact CD2-CD1 4.47Å; F35-L63 HydrophobicContact CE2-CD1 3.97Å; F35-A66 HydrophobicContact CD1-CB 4Å; F35-A66 HydrophobicContact CD2-CB 3.75Å; F35-A66 HydrophobicContact CE1-CB 3.9Å; F35-A66 VanDerWaalsContact CE1-O 3.27Å; F35-A66 WeakPolarHBondContact CE1-O 3.35Å; F35-A66 HydrophobicContact CE2-CB 3.64Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.73Å; F35-R67 HydrophobicContact CE2-CG 4.28Å; F35-R67 HydrophobicContact CZ-CB 4.46Å; F35-R67 HydrophobicContact CZ-CG 3.82Å |
| 36 | D | 98.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120.4 | 174.8 | -175.7 | -10.1 | 0 | 0 | 0 | 109.3 | R20 L22 D38 V39 G40 | R20-D36 IonicContact CZ-OD1 3.82Å; R20-D36 IonicContact CZ-OD2 3.56Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.41Å; R20-D36 IonicContact NE-OD2 3.74Å; R20-D36 PolarHBondContact NE-OD2 3.03Å; R20-D36 IonicContact NH2-OD1 3.74Å; R20-D36 IonicContact NH2-OD2 2.65Å; R20-D36 PolarHBondContact NH2-OD2 2.77Å; L22-D36 HydrophobicContact CD2-CB 3.66Å; D36-D38 PolarHBondContact O-N 2.81Å; D36-D38 PolarHBondContact OD1-N 3.03Å; D36-D38 VanDerWaalsContact OD1-N 3.09Å; D36-V39 HydrophobicContact CB-CB 4.22Å; D36-V39 HydrophobicContact CB-CG2 3.93Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.03Å; D36-V39 PolarHBondContact O-N 3.03Å; D36-G40 PolarHBondContact O-N 2.89Å |
| 37 | S | 98.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.1 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | R20 F21 V39 V70 | R20-S37 WeakPolarHBondContact CA-OG 3.26Å; F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 3Å; F21-S37 PolarHBondContact O-OG 3.12Å; S37-V39 PolarHBondContact O-N 2.96Å; S37-V70 VanDerWaalsContact CB-CG2 3.47Å |
| 38 | D | 98.2 | Very high | 97.7 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.5 | 176.7 | -77.2 | 9.6 | 0 | 0 | 0 | 111.4 | R18 D36 | R18-D38 IonicContact NH2-OD2 2.85Å; R18-D38 PolarHBondContact NH2-OD2 3.42Å; R18-D38 VanDerWaalsContact NH2-OD2 3.07Å; D36-D38 PolarHBondContact O-N 2.81Å; D36-D38 PolarHBondContact OD1-N 3.03Å; D36-D38 VanDerWaalsContact OD1-N 3.09Å |
| 39 | V | 98.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -39.4 | 175.4 | -175 | 0 | 0 | 0 | 0 | 111.3 | D36 S37 E41 | D36-V39 HydrophobicContact CB-CB 4.22Å; D36-V39 HydrophobicContact CB-CG2 3.93Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.03Å; D36-V39 PolarHBondContact O-N 3.03Å; S37-V39 PolarHBondContact O-N 2.96Å; V39-E41 HydrophobicContact CG1-CG 3.93Å |
| 40 | G | 98 | Very high | 98 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 17.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D36 L63 R67 | D36-G40 PolarHBondContact O-N 2.89Å; G40-L63 WeakPolarHBondContact O-CD1 3.4Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.87Å; G40-R67 PolarHBondContact O-NH2 2.85Å |
| 41 | E | 98.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 51 Ų | 51 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 164 | 177.9 | 77.5 | -167.1 | 170.7 | 0 | 0 | 112.7 | V39 R43 L63 | V39-E41 HydrophobicContact CG1-CG 3.93Å; E41-R43 HydrophobicContact CG-CG 4.22Å; E41-R43 IonicContact OE1-CZ 3.73Å; E41-R43 IonicContact OE1-NE 3.74Å; E41-R43 PolarHBondContact OE1-NE 2.02Å; E41-R43 VanDerWaalsContact OE1-NE 3.11Å; E41-R43 IonicContact OE1-NH2 3.8Å; E41-R43 PolarHBondContact OE1-NH2 2.95Å; E41-L63 HydrophobicContact CB-CD1 4.32Å |
| 42 | F | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.7 | 172.4 | -67.5 | -91.4 | 0 | 0 | 0 | 110.7 | Y25 V33 R34 F35 A53 W56 N57 L62 L63 A66 | Y25-F42 HydrophobicContact CE2-CE1 4.29Å; V33-F42 HydrophobicContact CG2-CB 4.26Å; V33-F42 HydrophobicContact CG2-CD1 4.43Å; R34-F42 CarbonylContact O-C 3.46Å; R34-F42 VanDerWaalsContact O-CA 3.25Å; R34-F42 WeakPolarHBondContact O-CA 3.22Å; F35-F42 HydrophobicContact CB-CD1 3.66Å; F35-F42 HydrophobicContact CB-CE1 3.59Å; F35-F42 HydrophobicContact CB-CG 4.21Å; F35-F42 HydrophobicContact CB-CZ 4.03Å; F35-F42 HydrophobicContact CD2-CD2 4.04Å; F35-F42 AromaticContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CG 4.32Å; F35-F42 HydrophobicContact CD2-CZ 4.27Å; F35-F42 HydrophobicContact CG-CE1 4.45Å; F35-F42 HydrophobicContact CG-CZ 4.43Å; F42-A53 HydrophobicContact CB-CB 4.46Å; F42-W56 HydrophobicContact CD1-CD2 4.46Å; F42-W56 AromaticContact CD1-CE3 3.38Å; F42-W56 HydrophobicContact CD1-CE3 3.38Å; F42-W56 AromaticContact CD1-CZ3 3.91Å; F42-W56 HydrophobicContact CD1-CZ3 3.91Å; F42-W56 HydrophobicContact CD2-CB 3.81Å; F42-W56 HydrophobicContact CE1-CD2 4.46Å; F42-W56 AromaticContact CE1-CE3 3.52Å; F42-W56 HydrophobicContact CE1-CE3 3.52Å; F42-W56 AromaticContact CE1-CZ3 3.93Å; F42-W56 HydrophobicContact CE1-CZ3 3.93Å; F42-W56 HydrophobicContact CE2-CB 4.09Å; F42-W56 HydrophobicContact CG-CB 4.11Å; F42-W56 AromaticContact CG-CE3 3.92Å; F42-W56 HydrophobicContact CG-CE3 3.92Å; F42-W56 HydrophobicContact CZ-CE3 4.2Å; F42-N57 PolarHBondContact N-OD1 3.46Å; F42-N57 PolarHBondContact O-ND2 2.99Å; F42-L62 HydrophobicContact CE2-CD2 4.35Å; F42-L62 HydrophobicContact CE2-CG 4.3Å; F42-L62 HydrophobicContact CZ-CG 4.47Å; F42-L63 HydrophobicContact CD2-CD1 4.36Å; F42-A66 HydrophobicContact CE2-CB 4.28Å; F42-A66 HydrophobicContact CZ-CB 4.22Å |
| 43 | R | 98.5 | Very high | 98.1 | Very high | 134 Ų | 134 | 53.1 Ų | 53.1 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.9 | 176.1 | -69.7 | -168.4 | 170.8 | 174.2 | 2.3 | 110.7 | V33 R34 E41 V45 | V33-R43 WeakPolarHBondContact CA-O 2.9Å; R34-R43 PolarHBondContact N-O 2.94Å; R34-R43 PolarHBondContact O-N 2.88Å; E41-R43 HydrophobicContact CG-CG 4.22Å; E41-R43 IonicContact OE1-CZ 3.73Å; E41-R43 IonicContact OE1-NE 3.74Å; E41-R43 PolarHBondContact OE1-NE 2.02Å; E41-R43 VanDerWaalsContact OE1-NE 3.11Å; E41-R43 IonicContact OE1-NH2 3.8Å; E41-R43 PolarHBondContact OE1-NH2 2.95Å; R43-V45 PolarHBondContact O-N 2.9Å |
| 44 | A | 98.1 | Very high | 98.1 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 35% | 0.347 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R50 A53 | A44-R50 HydrophobicContact CB-CB 4.26Å; A44-A53 HydrophobicContact CB-CB 4.15Å |
| 45 | V | 98.1 | Very high | 98.1 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -88.4 | -31.9 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | E31 N32 R34 R43 | E31-V45 HydrophobicContact CB-CG1 4.44Å; E31-V45 HydrophobicContact CG-CB 4.42Å; E31-V45 HydrophobicContact CG-CG2 4.05Å; E31-V45 WeakPolarHBondContact O-CB 3.1Å; N32-V45 PolarHBondContact O-N 2.76Å; R34-V45 HydrophobicContact CB-CG2 4.45Å; R34-V45 HydrophobicContact CG-CG2 3.95Å; R43-V45 PolarHBondContact O-N 2.9Å |
| 46 | T | 97.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -132 | 168.1 | 175.7 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | E30 E31 N32 L48 G49 | E30-T46 HydrophobicContact CG-CG2 3.95Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å; E31-T46 WeakPolarHBondContact O-CG2 3.27Å; N32-T46 WeakPolarHBondContact CA-OG1 3.43Å; N32-T46 PolarHBondContact O-N 3.49Å; T46-L48 PolarHBondContact O-N 3.35Å; T46-L48 VanDerWaalsContact O-N 3.17Å; T46-G49 PolarHBondContact O-N 2.95Å; T46-G49 VanDerWaalsContact O-N 3.1Å |
| 47 | E | 96.7 | Very high | 98.1 | Very high | 134 Ų | 134 | 65.5 Ų | 65.5 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -56.7 | -32 | 178.8 | -68.1 | -62.6 | 117.4 | 0 | 0 | 112.8 | G49 R50 | E47-G49 VanDerWaalsContact C-N 3.27Å; E47-G49 PolarHBondContact O-N 2.83Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 3.32Å; E47-R50 IonicContact OE1-CZ 3.02Å; E47-R50 IonicContact OE1-NH2 3.99Å; E47-R50 PolarHBondContact OE1-NH2 2.82Å; E47-R50 IonicContact OE2-CZ 2.91Å; E47-R50 IonicContact OE2-NE 3.54Å; E47-R50 IonicContact OE2-NH1 3.64Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 3Å |
| 48 | L | 96.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 68 Ų | 68 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -61.1 | -36.1 | 179.2 | -176.5 | 63.9 | 0 | 0 | 0 | 112.2 | H27 N32 T46 P51 | H27-L48 HydrophobicContact CB-CD2 4.1Å; N32-L48 HydrophobicContact CB-CB 4.27Å; N32-L48 HydrophobicContact CB-CD2 4.26Å; N32-L48 HydrophobicContact CB-CG 4.4Å; T46-L48 PolarHBondContact O-N 3.35Å; T46-L48 VanDerWaalsContact O-N 3.17Å; L48-P51 WeakPolarHBondContact O-CD 3.38Å |
| 49 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -86.2 | -1.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N32 T46 E47 D52 A53 | N32-G49 WeakPolarHBondContact O-CA 3.38Å; T46-G49 PolarHBondContact O-N 2.95Å; T46-G49 VanDerWaalsContact O-N 3.1Å; E47-G49 VanDerWaalsContact C-N 3.27Å; E47-G49 PolarHBondContact O-N 2.83Å; G49-D52 PolarHBondContact O-N 2.8Å; G49-A53 WeakPolarHBondContact O-CB 3.28Å; G49-A53 PolarHBondContact O-N 2.87Å |
| 50 | R | 98.3 | Very high | 98 | Very high | 116 Ų | 116 | 71.5 Ų | 71.5 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | -179.9 | -172.1 | -174.6 | -61.8 | -178.7 | 3.5 | 113 | A44 E47 D52 A53 E54 | A44-R50 HydrophobicContact CB-CB 4.26Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 3.32Å; E47-R50 IonicContact OE1-CZ 3.02Å; E47-R50 IonicContact OE1-NH2 3.99Å; E47-R50 PolarHBondContact OE1-NH2 2.82Å; E47-R50 IonicContact OE2-CZ 2.91Å; E47-R50 IonicContact OE2-NE 3.54Å; E47-R50 IonicContact OE2-NH1 3.64Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 3Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 3.28Å; R50-A53 PolarHBondContact O-N 2.86Å; R50-E54 WeakPolarHBondContact CG-OE1 3.4Å; R50-E54 WeakPolarHBondContact O-CG 3.4Å; R50-E54 PolarHBondContact O-N 3.49Å |
| 51 | P | 98.4 | Very high | 98 | Very high | 80 Ų | 80 | 77.2 Ų | 77.2 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 178.6 | -21.7 | 34.5 | 0 | 0 | 0 | 112.2 | L48 Y55 | L48-P51 WeakPolarHBondContact O-CD 3.38Å; P51-Y55 VanDerWaalsContact O-CB 3.27Å; P51-Y55 WeakPolarHBondContact O-CB 3.27Å; P51-Y55 PolarHBondContact O-N 2.86Å |
| 52 | D | 98.1 | Very high | 98 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 180 | -64.3 | -39.1 | 0 | 0 | 0 | 111.5 | V33 G49 R50 E54 Y55 W56 | V33-D52 HydrophobicContact CG1-CB 4.31Å; G49-D52 PolarHBondContact O-N 2.8Å; R50-D52 VanDerWaalsContact C-N 3.29Å; R50-D52 PolarHBondContact O-N 3.28Å; D52-E54 PolarHBondContact O-N 3.1Å; D52-Y55 PolarHBondContact O-N 3.44Å; D52-W56 HydrophobicContact CB-CD2 4.3Å; D52-W56 HydrophobicContact CB-CE3 4.41Å; D52-W56 HydrophobicContact CB-CH2 4.32Å; D52-W56 HydrophobicContact CB-CZ2 4.17Å; D52-W56 HydrophobicContact CB-CZ3 4.44Å; D52-W56 VanDerWaalsContact O-CB 3.27Å; D52-W56 WeakPolarHBondContact O-CB 3.4Å; D52-W56 PolarHBondContact O-N 2.88Å |
| 53 | A | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 76.7 Ų | 76.7 | 7% | 0.066 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V33 F42 A44 G49 R50 N57 | V33-A53 HydrophobicContact CG2-CB 3.99Å; F42-A53 HydrophobicContact CB-CB 4.46Å; A44-A53 HydrophobicContact CB-CB 4.15Å; G49-A53 WeakPolarHBondContact O-CB 3.28Å; G49-A53 PolarHBondContact O-N 2.87Å; R50-A53 PolarHBondContact O-N 2.86Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.34Å; A53-N57 PolarHBondContact O-N 2.81Å; A53-N57 PolarHBondContact O-ND2 2.61Å |
| 54 | E | 98.1 | Very high | 97.9 | Very high | 130 Ų | 130 | 75 Ų | 75 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 176.7 | -72.5 | 175.2 | -169.2 | 0 | 0 | 111.5 | R50 D52 S58 | R50-E54 WeakPolarHBondContact CG-OE1 3.4Å; R50-E54 WeakPolarHBondContact O-CG 3.4Å; R50-E54 PolarHBondContact O-N 3.49Å; D52-E54 PolarHBondContact O-N 3.1Å; E54-S58 PolarHBondContact O-N 3.03Å |
| 55 | Y | 98.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 79.4 Ų | 79.4 | 53% | 0.525 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -48 | -178.9 | -179.9 | -114.9 | 0 | 0 | 0 | 112.2 | P51 D52 N57 S58 Q59 | P51-Y55 VanDerWaalsContact O-CB 3.27Å; P51-Y55 WeakPolarHBondContact O-CB 3.27Å; P51-Y55 PolarHBondContact O-N 2.86Å; D52-Y55 PolarHBondContact O-N 3.44Å; Y55-N57 PolarHBondContact O-N 3.34Å; Y55-S58 WeakPolarHBondContact O-CB 3.42Å; Y55-S58 PolarHBondContact O-N 3.15Å; Y55-S58 VanDerWaalsContact O-N 3.15Å; Y55-S58 PolarHBondContact O-OG 2.92Å; Y55-Q59 WeakPolarHBondContact O-CG 3.41Å; Y55-Q59 PolarHBondContact O-N 3.22Å; Y55-Q59 PolarHBondContact OH-NE2 2.92Å |
| 56 | W | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 76.8 Ų | 76.8 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | -178.4 | -64.6 | -13.7 | 0 | 0 | 0 | 112.5 | Y25 V33 F42 D52 S58 Q59 L62 | Y25-W56 AromaticContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CZ3 4.37Å; Y25-W56 HydrophobicContact CD2-CH2 4.09Å; Y25-W56 AromaticContact CD2-CZ3 3.82Å; Y25-W56 HydrophobicContact CD2-CZ3 3.82Å; Y25-W56 AromaticContact CE1-CH2 3.69Å; Y25-W56 HydrophobicContact CE1-CH2 3.69Å; Y25-W56 HydrophobicContact CE1-CZ3 4.21Å; Y25-W56 HydrophobicContact CE2-CH2 4.03Å; Y25-W56 AromaticContact CE2-CZ3 3.68Å; Y25-W56 HydrophobicContact CE2-CZ3 3.68Å; Y25-W56 HydrophobicContact CG-CH2 4.01Å; Y25-W56 HydrophobicContact CG-CZ3 4.2Å; Y25-W56 AromaticContact CZ-CH2 3.83Å; Y25-W56 AromaticContact CZ-CZ3 3.89Å; V33-W56 HydrophobicContact CB-CZ3 4.47Å; V33-W56 HydrophobicContact CG1-CE3 4.36Å; V33-W56 HydrophobicContact CG1-CH2 3.87Å; V33-W56 HydrophobicContact CG1-CZ3 3.47Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.47Å; V33-W56 HydrophobicContact CG2-CE3 4.27Å; V33-W56 HydrophobicContact CG2-CZ3 4.11Å; F42-W56 HydrophobicContact CD1-CD2 4.46Å; F42-W56 AromaticContact CD1-CE3 3.38Å; F42-W56 HydrophobicContact CD1-CE3 3.38Å; F42-W56 AromaticContact CD1-CZ3 3.91Å; F42-W56 HydrophobicContact CD1-CZ3 3.91Å; F42-W56 HydrophobicContact CD2-CB 3.81Å; F42-W56 HydrophobicContact CE1-CD2 4.46Å; F42-W56 AromaticContact CE1-CE3 3.52Å; F42-W56 HydrophobicContact CE1-CE3 3.52Å; F42-W56 AromaticContact CE1-CZ3 3.93Å; F42-W56 HydrophobicContact CE1-CZ3 3.93Å; F42-W56 HydrophobicContact CE2-CB 4.09Å; F42-W56 HydrophobicContact CG-CB 4.11Å; F42-W56 AromaticContact CG-CE3 3.92Å; F42-W56 HydrophobicContact CG-CE3 3.92Å; F42-W56 HydrophobicContact CZ-CE3 4.2Å; D52-W56 HydrophobicContact CB-CD2 4.3Å; D52-W56 HydrophobicContact CB-CE3 4.41Å; D52-W56 HydrophobicContact CB-CH2 4.32Å; D52-W56 HydrophobicContact CB-CZ2 4.17Å; D52-W56 HydrophobicContact CB-CZ3 4.44Å; D52-W56 VanDerWaalsContact O-CB 3.27Å; D52-W56 WeakPolarHBondContact O-CB 3.4Å; D52-W56 PolarHBondContact O-N 2.88Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.72Å; W56-Q59 WeakPolarHBondContact O-CB 3.12Å; W56-Q59 PolarHBondContact O-N 2.83Å; W56-L62 HydrophobicContact CB-CD2 3.74Å; W56-L62 HydrophobicContact CG-CD2 3.8Å |
| 57 | N | 98.6 | Very high | 98 | Very high | 36 Ų | 36 | 80.2 Ų | 80.2 | 19% | 0.193 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.2 | -22.8 | 173.7 | -73.1 | -30.8 | 0 | 0 | 0 | 113.5 | F42 A53 Y55 Q59 | F42-N57 PolarHBondContact N-OD1 3.46Å; F42-N57 PolarHBondContact O-ND2 2.99Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.34Å; A53-N57 PolarHBondContact O-N 2.81Å; A53-N57 PolarHBondContact O-ND2 2.61Å; Y55-N57 PolarHBondContact O-N 3.34Å; N57-Q59 VanDerWaalsContact C-N 3.31Å |
| 58 | S | 98.2 | Very high | 98.1 | Very high | 78 Ų | 78 | 75.7 Ų | 75.7 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.3 | -23.5 | 173.4 | 83.1 | 0 | 0 | 0 | 0 | 112.8 | E54 Y55 W56 K60 | E54-S58 PolarHBondContact O-N 3.03Å; Y55-S58 WeakPolarHBondContact O-CB 3.42Å; Y55-S58 PolarHBondContact O-N 3.15Å; Y55-S58 VanDerWaalsContact O-N 3.15Å; Y55-S58 PolarHBondContact O-OG 2.92Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.72Å; S58-K60 PolarHBondContact O-N 2.81Å |
| 59 | Q | 98.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | trans | -84.6 | 95.4 | -180 | -61.9 | -94.3 | -17.4 | 0 | 0 | 110.1 | Y55 W56 N57 D61 L62 L63 | Y55-Q59 WeakPolarHBondContact O-CG 3.41Å; Y55-Q59 PolarHBondContact O-N 3.22Å; Y55-Q59 PolarHBondContact OH-NE2 2.92Å; W56-Q59 WeakPolarHBondContact O-CB 3.12Å; W56-Q59 PolarHBondContact O-N 2.83Å; N57-Q59 VanDerWaalsContact C-N 3.31Å; Q59-D61 PolarHBondContact O-N 2.98Å; Q59-L62 HydrophobicContact CB-CB 3.85Å; Q59-L62 HydrophobicContact CB-CD2 4.38Å; Q59-L62 PolarHBondContact O-N 2.78Å; Q59-L63 PolarHBondContact O-N 2.63Å; Q59-L63 VanDerWaalsContact O-N 3.09Å | ||
| 60 | K | 97.3 | Very high | 98.2 | Very high | 140 Ų | 140 | 72.4 Ų | 72.4 | 61% | 0.609 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | -174.8 | -64.6 | -58.2 | -180 | -166.7 | 0 | 113.8 | S58 L62 L63 E64 | S58-K60 PolarHBondContact O-N 2.81Å; K60-L62 VanDerWaalsContact C-N 3.33Å; K60-L62 PolarHBondContact O-N 3.07Å; K60-L63 PolarHBondContact O-N 3.29Å; K60-E64 WeakPolarHBondContact O-CG 3.35Å; K60-E64 PolarHBondContact O-N 2.84Å |
| 61 | D | 97.9 | Very high | 98.2 | Very high | 129 Ų | 129 | 71.4 Ų | 71.4 | 69% | 0.69 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | -179.4 | -60.7 | -27.5 | 0 | 0 | 0 | 111.8 | Q59 Q65 | Q59-D61 PolarHBondContact O-N 2.98Å; D61-Q65 WeakPolarHBondContact O-CB 3.48Å; D61-Q65 VanDerWaalsContact O-CG 3.26Å; D61-Q65 WeakPolarHBondContact O-CG 3.33Å; D61-Q65 PolarHBondContact O-N 3Å |
| 62 | L | 97.8 | Very high | 98.2 | Very high | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 176.8 | -179.4 | 66.3 | 0 | 0 | 0 | 111.2 | F42 W56 Q59 K60 Q65 A66 | F42-L62 HydrophobicContact CE2-CD2 4.35Å; F42-L62 HydrophobicContact CE2-CG 4.3Å; F42-L62 HydrophobicContact CZ-CG 4.47Å; W56-L62 HydrophobicContact CB-CD2 3.74Å; W56-L62 HydrophobicContact CG-CD2 3.8Å; Q59-L62 HydrophobicContact CB-CB 3.85Å; Q59-L62 HydrophobicContact CB-CD2 4.38Å; Q59-L62 PolarHBondContact O-N 2.78Å; K60-L62 VanDerWaalsContact C-N 3.33Å; K60-L62 PolarHBondContact O-N 3.07Å; L62-Q65 PolarHBondContact O-N 2.87Å; L62-A66 WeakPolarHBondContact O-CB 3.32Å; L62-A66 PolarHBondContact O-N 3.47Å |
| 63 | L | 97.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | -179.4 | -173.5 | 62.8 | 0 | 0 | 0 | 112.1 | F35 G40 E41 F42 Q59 K60 A66 R67 | F35-L63 HydrophobicContact CD2-CD1 4.47Å; F35-L63 HydrophobicContact CE2-CD1 3.97Å; G40-L63 WeakPolarHBondContact O-CD1 3.4Å; E41-L63 HydrophobicContact CB-CD1 4.32Å; F42-L63 HydrophobicContact CD2-CD1 4.36Å; Q59-L63 PolarHBondContact O-N 2.63Å; Q59-L63 VanDerWaalsContact O-N 3.09Å; K60-L63 PolarHBondContact O-N 3.29Å; L63-A66 PolarHBondContact O-N 3.25Å; L63-R67 WeakPolarHBondContact O-CD 3.38Å; L63-R67 VanDerWaalsContact O-CG 3.25Å; L63-R67 WeakPolarHBondContact O-CG 3.41Å; L63-R67 PolarHBondContact O-N 3.35Å |
| 64 | E | 98.2 | Very high | 98.2 | Very high | 100 Ų | 100 | 73.9 Ų | 73.9 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 175.4 | -69.5 | -55.9 | 129 | 0 | 0 | 112.1 | K60 R67 A68 | K60-E64 WeakPolarHBondContact O-CG 3.35Å; K60-E64 PolarHBondContact O-N 2.84Å; E64-R67 PolarHBondContact O-N 3.17Å; E64-R67 IonicContact OE1-CZ 3.83Å; E64-R67 IonicContact OE1-NH1 3.22Å; E64-R67 PolarHBondContact OE1-NH1 2.77Å; E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 3.46Å |
| 65 | Q | 98.2 | Very high | 98.3 | Very high | 134 Ų | 134 | 71.1 Ų | 71.1 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 173 | -75 | 174.8 | 17.7 | 0 | 0 | 112 | D61 L62 R67 A68 A69 | D61-Q65 WeakPolarHBondContact O-CB 3.48Å; D61-Q65 VanDerWaalsContact O-CG 3.26Å; D61-Q65 WeakPolarHBondContact O-CG 3.33Å; D61-Q65 PolarHBondContact O-N 3Å; L62-Q65 PolarHBondContact O-N 2.87Å; Q65-R67 PolarHBondContact O-N 3.18Å; Q65-A68 PolarHBondContact O-N 3.26Å; Q65-A69 PolarHBondContact O-N 3.02Å; Q65-A69 VanDerWaalsContact O-N 3.1Å |
| 66 | A | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F35 F42 L62 L63 A69 | F35-A66 HydrophobicContact CD1-CB 4Å; F35-A66 HydrophobicContact CD2-CB 3.75Å; F35-A66 HydrophobicContact CE1-CB 3.9Å; F35-A66 VanDerWaalsContact CE1-O 3.27Å; F35-A66 WeakPolarHBondContact CE1-O 3.35Å; F35-A66 HydrophobicContact CE2-CB 3.64Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.73Å; F42-A66 HydrophobicContact CE2-CB 4.28Å; F42-A66 HydrophobicContact CZ-CB 4.22Å; L62-A66 WeakPolarHBondContact O-CB 3.32Å; L62-A66 PolarHBondContact O-N 3.47Å; L63-A66 PolarHBondContact O-N 3.25Å; A66-A69 VanDerWaalsContact O-CB 3.31Å; A66-A69 WeakPolarHBondContact O-CB 3.41Å; A66-A69 PolarHBondContact O-N 2.85Å |
| 67 | R | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 70.6 Ų | 70.6 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.8 | -71.4 | 164.9 | 179.1 | -179.8 | -5.6 | 112 | F35 G40 L63 E64 Q65 A69 | F35-R67 HydrophobicContact CE2-CG 4.28Å; F35-R67 HydrophobicContact CZ-CB 4.46Å; F35-R67 HydrophobicContact CZ-CG 3.82Å; G40-R67 VanDerWaalsContact O-CZ 3.31Å; G40-R67 PolarHBondContact O-NE 2.87Å; G40-R67 PolarHBondContact O-NH2 2.85Å; L63-R67 WeakPolarHBondContact O-CD 3.38Å; L63-R67 VanDerWaalsContact O-CG 3.25Å; L63-R67 WeakPolarHBondContact O-CG 3.41Å; L63-R67 PolarHBondContact O-N 3.35Å; E64-R67 PolarHBondContact O-N 3.17Å; E64-R67 IonicContact OE1-CZ 3.83Å; E64-R67 IonicContact OE1-NH1 3.22Å; E64-R67 PolarHBondContact OE1-NH1 2.77Å; Q65-R67 PolarHBondContact O-N 3.18Å; R67-A69 PolarHBondContact O-N 3.43Å |
| 68 | A | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.5 | -19.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E64 Q65 V70 D71 T72 | E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 3.46Å; Q65-A68 PolarHBondContact O-N 3.26Å; A68-V70 PolarHBondContact O-N 2.69Å; A68-V70 VanDerWaalsContact O-N 3.1Å; A68-D71 PolarHBondContact O-N 3.34Å; A68-T72 HydrophobicContact CB-CG2 4.23Å; A68-T72 PolarHBondContact O-N 3.22Å; A68-T72 PolarHBondContact O-OG1 3.17Å; A68-T72 VanDerWaalsContact O-OG1 3.1Å |
| 69 | A | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -23.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F21 Q65 A66 R67 D71 T72 Y73 C74 | F21-A69 HydrophobicContact CD1-CB 3.58Å; F21-A69 HydrophobicContact CD2-CB 4.44Å; F21-A69 HydrophobicContact CE1-CB 3.48Å; F21-A69 VanDerWaalsContact CE1-CB 3.48Å; F21-A69 HydrophobicContact CE2-CB 4.34Å; F21-A69 HydrophobicContact CG-CB 4.07Å; F21-A69 HydrophobicContact CZ-CB 3.88Å; Q65-A69 PolarHBondContact O-N 3.02Å; Q65-A69 VanDerWaalsContact O-N 3.1Å; A66-A69 VanDerWaalsContact O-CB 3.31Å; A66-A69 WeakPolarHBondContact O-CB 3.41Å; A66-A69 PolarHBondContact O-N 2.85Å; R67-A69 PolarHBondContact O-N 3.43Å; A69-D71 VanDerWaalsContact C-N 3.26Å; A69-D71 PolarHBondContact O-N 3.42Å; A69-T72 WeakPolarHBondContact CA-OG1 3.13Å; A69-Y73 WeakPolarHBondContact O-CA 3.35Å; A69-Y73 VanDerWaalsContact O-CB 3.27Å; A69-Y73 WeakPolarHBondContact O-CB 3.25Å; A69-Y73 PolarHBondContact O-N 2.95Å; A69-C74 PolarHBondContact O-N 2.86Å |
| 70 | V | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -56.5 | -43.4 | 172.2 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | V19 F21 S37 A68 C74 R75 | V19-V70 HydrophobicContact CB-CG1 3.73Å; V19-V70 HydrophobicContact CG1-CG1 3.87Å; V19-V70 WeakPolarHBondContact O-CG1 3.36Å; F21-V70 HydrophobicContact CB-CG2 3.89Å; S37-V70 VanDerWaalsContact CB-CG2 3.47Å; A68-V70 PolarHBondContact O-N 2.69Å; A68-V70 VanDerWaalsContact O-N 3.1Å; V70-C74 WeakPolarHBondContact O-CB 3.42Å; V70-R75 VanDerWaalsContact CG1-NH1 3.31Å; V70-R75 PolarHBondContact O-N 2.79Å |
| 71 | D | 98.5 | Very high | 98.1 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -89.5 | -50.5 | -179.5 | -70.7 | -57.1 | 0 | 0 | 0 | 112.1 | A68 A69 Y73 R75 H76 | A68-D71 PolarHBondContact O-N 3.34Å; A69-D71 VanDerWaalsContact C-N 3.26Å; A69-D71 PolarHBondContact O-N 3.42Å; D71-Y73 PolarHBondContact O-N 2.85Å; D71-R75 WeakPolarHBondContact OD1-CD 3.48Å; D71-R75 IonicContact OD1-CZ 2.86Å; D71-R75 IonicContact OD1-NE 2.72Å; D71-R75 IonicContact OD1-NH1 3.94Å; D71-R75 PolarHBondContact OD1-NH1 2.99Å; D71-R75 IonicContact OD2-NH1 2.7Å; D71-H76 PolarHBondContact O-N 3.39Å; D71-H76 VanDerWaalsContact O-N 3.13Å |
| 72 | T | 98.1 | Very high | 98 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -75.3 | -26.1 | -170.1 | 62.4 | 0 | 0 | 0 | 0 | 113 | A68 A69 H76 | A68-T72 HydrophobicContact CB-CG2 4.23Å; A68-T72 PolarHBondContact O-N 3.22Å; A68-T72 PolarHBondContact O-OG1 3.17Å; A68-T72 VanDerWaalsContact O-OG1 3.1Å; A69-T72 WeakPolarHBondContact CA-OG1 3.13Å; T72-H76 WeakPolarHBondContact O-CB 3.38Å |
| 73 | Y | 98.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 62.5 Ų | 62.5 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -110 | -60.3 | 178.4 | -177.4 | -97.7 | 0 | 0 | 0 | 111.3 | F21 A69 D71 N77 | F21-Y73 HydrophobicContact CD2-CD1 4.49Å; F21-Y73 HydrophobicContact CE2-CD1 4.02Å; F21-Y73 HydrophobicContact CE2-CE1 4.39Å; A69-Y73 WeakPolarHBondContact O-CA 3.35Å; A69-Y73 VanDerWaalsContact O-CB 3.27Å; A69-Y73 WeakPolarHBondContact O-CB 3.25Å; A69-Y73 PolarHBondContact O-N 2.95Å; D71-Y73 PolarHBondContact O-N 2.85Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.3Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.11Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.35Å; Y73-N77 PolarHBondContact O-N 3.34Å; Y73-N77 PolarHBondContact O-ND2 3.26Å |
| 74 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -68.3 | -58.6 | -172 | -63.1 | 0 | 0 | 0 | 0 | 113 | C10 F12 V19 F21 A69 V70 H76 N77 Y78 | C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.46Å; C10-C74 WeakPolarHBondContact SG-CA 3.22Å; C10-C74 WeakPolarHBondContact SG-CB 3.5Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.02Å; F12-C74 HydrophobicContact CE1-CB 4.25Å; F12-C74 HydrophobicContact CZ-CB 4.06Å; V19-C74 HydrophobicContact CG1-CB 3.57Å; F21-C74 WeakPolarHBondContact CD2-SG 3.34Å; A69-C74 PolarHBondContact O-N 2.86Å; V70-C74 WeakPolarHBondContact O-CB 3.42Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 2.84Å; C74-N77 PolarHBondContact O-N 2.87Å; C74-Y78 WeakPolarHBondContact O-CB 3.27Å; C74-Y78 PolarHBondContact O-N 3.44Å |
| 75 | R | 98.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -64.4 | -39.7 | 179.9 | -70.5 | -170.5 | -179.1 | 93.6 | 3 | 112 | T16 E17 V19 V70 D71 Y78 G79 | T16-R75 PolarHBondContact O-NE 2.92Å; E17-R75 PolarHBondContact O-NH2 3.09Å; V19-R75 HydrophobicContact CG2-CG 3.94Å; V70-R75 VanDerWaalsContact CG1-NH1 3.31Å; V70-R75 PolarHBondContact O-N 2.79Å; D71-R75 WeakPolarHBondContact OD1-CD 3.48Å; D71-R75 IonicContact OD1-CZ 2.86Å; D71-R75 IonicContact OD1-NE 2.72Å; D71-R75 IonicContact OD1-NH1 3.94Å; D71-R75 PolarHBondContact OD1-NH1 2.99Å; D71-R75 IonicContact OD2-NH1 2.7Å; R75-Y78 PolarHBondContact O-N 3.35Å; R75-G79 PolarHBondContact O-N 2.91Å |
| 76 | H | 97.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 60.3 Ų | 60.3 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.7 | -57.7 | 174.4 | 178.5 | 74.1 | 0 | 0 | 0 | 111.8 | D71 T72 C74 Y78 G79 V80 | D71-H76 PolarHBondContact O-N 3.39Å; D71-H76 VanDerWaalsContact O-N 3.13Å; T72-H76 WeakPolarHBondContact O-CB 3.38Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 2.84Å; H76-Y78 VanDerWaalsContact C-N 3.35Å; H76-Y78 PolarHBondContact O-N 3.1Å; H76-G79 PolarHBondContact O-N 3.28Å; H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 3.1Å |
| 77 | N | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | -178.2 | -76.4 | -55.8 | 0 | 0 | 0 | 111.7 | Y73 C74 G79 V80 V81 | Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.3Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.11Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.35Å; Y73-N77 PolarHBondContact O-N 3.34Å; Y73-N77 PolarHBondContact O-ND2 3.26Å; C74-N77 PolarHBondContact O-N 2.87Å; N77-G79 VanDerWaalsContact C-N 3.32Å; N77-G79 PolarHBondContact O-N 2.7Å; N77-V80 PolarHBondContact O-N 2.72Å; N77-V80 VanDerWaalsContact O-N 3.13Å; N77-V81 WeakPolarHBondContact O-CG2 3.06Å; N77-V81 PolarHBondContact O-N 3.39Å |
| 78 | Y | 97.9 | Very high | 97.3 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 13% | 0.125 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.4 | -52.3 | 174 | -175.7 | -77.5 | 0 | 0 | 0 | 110.6 | F12 T16 C74 R75 H76 V80 V81 E82 V86 | F12-Y78 AromaticContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CE2 4.12Å; F12-Y78 HydrophobicContact CD1-CG 4.2Å; F12-Y78 HydrophobicContact CD2-CD2 4.06Å; F12-Y78 AromaticContact CE1-CD2 3.55Å; F12-Y78 HydrophobicContact CE1-CD2 3.55Å; F12-Y78 AromaticContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE1-CG 3.86Å; F12-Y78 HydrophobicContact CE2-CD2 4.03Å; F12-Y78 AromaticContact CG-CD2 3.83Å; F12-Y78 HydrophobicContact CG-CD2 3.83Å; F12-Y78 HydrophobicContact CG-CE2 4.15Å; F12-Y78 AromaticContact CZ-CD2 3.79Å; F12-Y78 HydrophobicContact CZ-CD2 3.79Å; F12-Y78 HydrophobicContact CZ-CG 4.21Å; T16-Y78 HydrophobicContact CG2-CD1 3.33Å; T16-Y78 HydrophobicContact CG2-CD2 4.21Å; T16-Y78 HydrophobicContact CG2-CE1 3.63Å; T16-Y78 HydrophobicContact CG2-CE2 4.44Å; T16-Y78 HydrophobicContact CG2-CG 3.67Å; C74-Y78 WeakPolarHBondContact O-CB 3.27Å; C74-Y78 PolarHBondContact O-N 3.44Å; R75-Y78 PolarHBondContact O-N 3.35Å; H76-Y78 VanDerWaalsContact C-N 3.35Å; H76-Y78 PolarHBondContact O-N 3.1Å; Y78-V80 VanDerWaalsContact C-N 3.29Å; Y78-V80 PolarHBondContact O-N 3.26Å; Y78-V81 PolarHBondContact O-N 2.79Å; Y78-E82 HydrophobicContact CD1-CB 4.27Å; Y78-E82 HydrophobicContact CD1-CG 4.45Å; Y78-E82 HydrophobicContact CE1-CB 4.07Å; Y78-E82 VanDerWaalsContact CE1-CD 3.43Å; Y78-E82 HydrophobicContact CE1-CG 3.76Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.48Å; Y78-E82 WeakPolarHBondContact O-CA 3.25Å; Y78-E82 VanDerWaalsContact O-CB 3.23Å; Y78-E82 WeakPolarHBondContact O-CB 3.27Å; Y78-E82 PolarHBondContact O-N 3.38Å; Y78-E82 PolarHBondContact OH-OE1 3.38Å; Y78-V86 HydrophobicContact CE2-CG2 3.75Å |
| 79 | G | 97.1 | Very high | 97.3 | Very high | 53 Ų | 53 | 68 Ų | 68 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -32.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R75 H76 N77 | R75-G79 PolarHBondContact O-N 2.91Å; H76-G79 PolarHBondContact O-N 3.28Å; N77-G79 VanDerWaalsContact C-N 3.32Å; N77-G79 PolarHBondContact O-N 2.7Å |
| 80 | V | 97.4 | Very high | 97.3 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.9 | -38.8 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | H76 N77 Y78 | H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 3.1Å; N77-V80 PolarHBondContact O-N 2.72Å; N77-V80 VanDerWaalsContact O-N 3.13Å; Y78-V80 VanDerWaalsContact C-N 3.29Å; Y78-V80 PolarHBondContact O-N 3.26Å |
| 81 | V | 96.6 | Very high | 97.3 | Very high | 44 Ų | 44 | 74.3 Ų | 74.3 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -107.5 | -5 | -170 | -48.4 | 0 | 0 | 0 | 0 | 115.5 | N77 Y78 S83 F84 T85 | N77-V81 WeakPolarHBondContact O-CG2 3.06Å; N77-V81 PolarHBondContact O-N 3.39Å; Y78-V81 PolarHBondContact O-N 2.79Å; V81-S83 VanDerWaalsContact C-N 3.28Å; V81-S83 PolarHBondContact O-N 3.06Å; V81-F84 VanDerWaalsContact CA-CE1 3.47Å; V81-F84 HydrophobicContact CB-CE1 3.82Å; V81-F84 HydrophobicContact CB-CE2 3.77Å; V81-F84 HydrophobicContact CB-CZ 3.36Å; V81-F84 HydrophobicContact CG1-CE1 4.07Å; V81-F84 HydrophobicContact CG1-CE2 4.11Å; V81-F84 HydrophobicContact CG1-CZ 3.42Å; V81-F84 VanDerWaalsContact CG1-CZ 3.42Å; V81-F84 PolarHBondContact O-N 2.66Å; V81-T85 HydrophobicContact CB-CG2 4.16Å; V81-T85 HydrophobicContact CG2-CG2 3.97Å; V81-T85 PolarHBondContact O-N 2.94Å; V81-T85 VanDerWaalsContact O-N 3.1Å; V81-T85 PolarHBondContact O-OG1 2.68Å |
| 82 | E | 96.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.9 | -44.5 | -173.1 | -175.9 | 179.4 | -153.6 | 0 | 0 | 112.6 | Y78 F84 T85 V86 Q87 | Y78-E82 HydrophobicContact CD1-CB 4.27Å; Y78-E82 HydrophobicContact CD1-CG 4.45Å; Y78-E82 HydrophobicContact CE1-CB 4.07Å; Y78-E82 VanDerWaalsContact CE1-CD 3.43Å; Y78-E82 HydrophobicContact CE1-CG 3.76Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.48Å; Y78-E82 WeakPolarHBondContact O-CA 3.25Å; Y78-E82 VanDerWaalsContact O-CB 3.23Å; Y78-E82 WeakPolarHBondContact O-CB 3.27Å; Y78-E82 PolarHBondContact O-N 3.38Å; Y78-E82 PolarHBondContact OH-OE1 3.38Å; E82-F84 PolarHBondContact O-N 2.93Å; E82-T85 PolarHBondContact O-N 2.94Å; E82-V86 HydrophobicContact CG-CB 3.91Å; E82-V86 HydrophobicContact CG-CG2 4.21Å; E82-V86 PolarHBondContact O-N 2.85Å; E82-Q87 HydrophobicContact CG-CG 4.2Å; E82-Q87 PolarHBondContact O-N 2.89Å |
| 83 | S | 95.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.9 | -32.1 | -174.7 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | V81 | V81-S83 VanDerWaalsContact C-N 3.28Å; V81-S83 PolarHBondContact O-N 3.06Å |
| 84 | F | 94.3 | Very high | 97.3 | Very high | 111 Ų | 111 | 68.8 Ų | 68.8 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -111.4 | 2.6 | -178.4 | 63 | -96.4 | 0 | 0 | 0 | 114.3 | V81 E82 R88 | V81-F84 VanDerWaalsContact CA-CE1 3.47Å; V81-F84 HydrophobicContact CB-CE1 3.82Å; V81-F84 HydrophobicContact CB-CE2 3.77Å; V81-F84 HydrophobicContact CB-CZ 3.36Å; V81-F84 HydrophobicContact CG1-CE1 4.07Å; V81-F84 HydrophobicContact CG1-CE2 4.11Å; V81-F84 HydrophobicContact CG1-CZ 3.42Å; V81-F84 VanDerWaalsContact CG1-CZ 3.42Å; V81-F84 PolarHBondContact O-N 2.66Å; E82-F84 PolarHBondContact O-N 2.93Å; F84-R88 WeakPolarHBondContact O-CB 3.31Å; F84-R88 WeakPolarHBondContact O-CD 3.36Å |
| 85 | T | 96 | Very high | 97.3 | Very high | 25 Ų | 25 | 71.7 Ų | 71.7 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -117.1 | -64.2 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | V81 E82 Y118 W148 | V81-T85 HydrophobicContact CB-CG2 4.16Å; V81-T85 HydrophobicContact CG2-CG2 3.97Å; V81-T85 PolarHBondContact O-N 2.94Å; V81-T85 VanDerWaalsContact O-N 3.1Å; V81-T85 PolarHBondContact O-OG1 2.68Å; E82-T85 PolarHBondContact O-N 2.94Å; T85-Y118 VanDerWaalsContact O-CE1 3.31Å; T85-Y118 WeakPolarHBondContact O-CE1 3.45Å; T85-Y118 PolarHBondContact O-OH 3.45Å; T85-W148 HydrophobicContact CG2-CH2 4.15Å; T85-W148 HydrophobicContact CG2-CZ3 4.12Å |
| 86 | V | 95.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -45 | -175.2 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | Y78 E82 R88 R89 | Y78-V86 HydrophobicContact CE2-CG2 3.75Å; E82-V86 HydrophobicContact CG-CB 3.91Å; E82-V86 HydrophobicContact CG-CG2 4.21Å; E82-V86 PolarHBondContact O-N 2.85Å; V86-R88 VanDerWaalsContact C-N 3.31Å; V86-R89 PolarHBondContact O-NH1 2.91Å |
| 87 | Q | 95.8 | Very high | 97 | Very high | 111 Ų | 111 | 68.3 Ų | 68.3 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -84.7 | -8.9 | -178.8 | -64.5 | 178 | 3.8 | 0 | 0 | 112.6 | E82 R89 | E82-Q87 HydrophobicContact CG-CG 4.2Å; E82-Q87 PolarHBondContact O-N 2.89Å; Q87-R89 PolarHBondContact O-N 2.77Å |
| 88 | R | 97.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 67.2 Ų | 67.2 | 35% | 0.347 | 35% | 0.347 | S | S | . | . | trans | -58 | 130.7 | 178.7 | -179.8 | -178.3 | 179.3 | 86.3 | -0.9 | 110.6 | F84 V86 V90 Y118 | F84-R88 WeakPolarHBondContact O-CB 3.31Å; F84-R88 WeakPolarHBondContact O-CD 3.36Å; V86-R88 VanDerWaalsContact C-N 3.31Å; R88-V90 HydrophobicContact CG-CG2 4.39Å; R88-Y118 HydrophobicContact CB-CD1 3.94Å; R88-Y118 HydrophobicContact CB-CE1 3.78Å; R88-Y118 HydrophobicContact CG-CD1 3.74Å; R88-Y118 HydrophobicContact CG-CE1 4.01Å; R88-Y118 HydrophobicContact CG-CG 4.49Å; R88-Y118 WeakPolarHBondContact O-CD1 3.49Å | ||
| 89 | R | 98 | Very high | 96.2 | Very high | 112 Ų | 112 | 69 Ų | 69 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | trans | -133.2 | 128.5 | 175.3 | -64.9 | -61 | 177.2 | -92 | -2.2 | 109.3 | V86 Q87 Y118 | V86-R89 PolarHBondContact O-NH1 2.91Å; Q87-R89 PolarHBondContact O-N 2.77Å; R89-Y118 CarbonylContact C-O 3.52Å; R89-Y118 WeakPolarHBondContact CA-O 3.42Å | ||
| 90 | V | 98.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -128.2 | 129.6 | 174.7 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | R88 G116 F117 Y118 H172 S174 | R88-V90 HydrophobicContact CG-CG2 4.39Å; V90-G116 WeakPolarHBondContact CG1-O 3.2Å; V90-F117 WeakPolarHBondContact O-CA 3.29Å; V90-Y118 PolarHBondContact N-O 3.21Å; V90-Y118 PolarHBondContact O-N 3.04Å; V90-H172 PolarHBondContact O-CE1 3.26Å; V90-H172 VanDerWaalsContact O-CE1 3.26Å; V90-S174 PolarHBondContact O-OG 3.1Å |
| 91 | H | 98.3 | Very high | 93.7 | Very high | 118 Ų | 118 | 74.5 Ų | 74.5 | 55% | 0.546 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 135.2 | -174.7 | -73.9 | 79.9 | 0 | 0 | 0 | 112.2 | S174 V175 | H91-S174 WeakPolarHBondContact CA-OG 3.26Å; H91-S174 PolarHBondContact CE1-O 2.96Å; H91-S174 PolarHBondContact NE2-O 3.1Å; H91-S174 VanDerWaalsContact NE2-O 3.09Å; H91-V175 WeakPolarHBondContact CD2-CG1 3.37Å |
| 92 | P | 98.5 | Very high | 92 | Very high | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.065 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 138.7 | 171.2 | 22.6 | -26.8 | 0 | 0 | 0 | 111.4 | V114 F117 V170 H172 L179 | P92-V114 HydrophobicContact CB-CG1 3.55Å; P92-F117 HydrophobicContact CB-CB 3.77Å; P92-F117 HydrophobicContact CB-CD1 4.15Å; P92-F117 HydrophobicContact CB-CG 4.24Å; P92-F117 HydrophobicContact CG-CB 4.34Å; P92-V170 HydrophobicContact CG-CG1 4.15Å; P92-H172 HydrophobicContact CG-CB 4.09Å; P92-L179 HydrophobicContact CG-CD1 3.8Å |
| 93 | K | 98.4 | Very high | 90.2 | Very high | 146 Ų | 146 | 82.6 Ų | 82.6 | 64% | 0.635 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.7 | 160 | -178 | 178.4 | 178 | -178.4 | 0 | 108.5 | V114 S115 | K93-V114 WeakPolarHBondContact O-CA 3.17Å; K93-S115 PolarHBondContact N-O 3.39Å; K93-S115 PolarHBondContact O-N 3.13Å |
| 94 | V | 98.6 | Very high | 88.3 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 14% | 0.139 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.6 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | S113 V114 V170 L179 V181 | V94-S113 CarbonylContact C-O 3.49Å; V94-S113 WeakPolarHBondContact CA-O 3.42Å; V94-V114 HydrophobicContact CG1-CG2 4.49Å; V94-V114 HydrophobicContact CG2-CG1 4.38Å; V94-V170 HydrophobicContact CG1-CG2 4.06Å; V94-V170 HydrophobicContact CG2-CB 4.16Å; V94-V170 HydrophobicContact CG2-CG2 3.71Å; V94-L179 HydrophobicContact CG2-CB 4.33Å; V94-L179 HydrophobicContact CG2-CD1 3.96Å; V94-V181 HydrophobicContact CB-CG2 3.81Å; V94-V181 HydrophobicContact CG1-CB 4.16Å; V94-V181 HydrophobicContact CG1-CG2 3.62Å |
| 95 | T | 98.1 | Very high | 86.4 | Confident | 61 Ų | 61 | 85.9 Ų | 85.9 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 131.8 | 175 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | Y97 S113 | T95-Y97 HydrophobicContact CG2-CD1 4.17Å; T95-S113 PolarHBondContact N-O 3.19Å; T95-S113 PolarHBondContact O-N 2.86Å |
| 96 | V | 97.1 | Very high | 84.8 | Confident | 20 Ų | 20 | 91 Ų | 91 | 12% | 0.121 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.9 | 177 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | V111 C112 W126 C168 V181 W183 | V96-V111 VanDerWaalsContact CA-O 3.3Å; V96-V111 WeakPolarHBondContact CA-O 3.41Å; V96-C112 HydrophobicContact CG2-CB 4.35Å; V96-W126 HydrophobicContact CG1-CH2 3.63Å; V96-W126 HydrophobicContact CG1-CZ3 4.32Å; V96-W126 HydrophobicContact CG2-CH2 4.24Å; V96-C168 HydrophobicContact CG2-CB 3.61Å; V96-V181 HydrophobicContact CB-CG1 3.99Å; V96-V181 HydrophobicContact CG2-CB 3.87Å; V96-V181 HydrophobicContact CG2-CG1 3.71Å; V96-W183 HydrophobicContact CB-CB 4.39Å; V96-W183 HydrophobicContact CG1-CB 3.56Å; V96-W183 HydrophobicContact CG1-CG 4.14Å |
| 97 | Y | 93.3 | Very high | 83.4 | Confident | 95 Ų | 95 | 93.9 Ų | 93.9 | 37% | 0.373 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152.3 | 177.3 | 57.8 | -86.8 | 0 | 0 | 0 | 111.3 | T95 V111 | T95-Y97 HydrophobicContact CG2-CD1 4.17Å; Y97-V111 HydrophobicContact CD2-CB 4.22Å; Y97-V111 HydrophobicContact CD2-CG2 4.47Å; Y97-V111 HydrophobicContact CE1-CB 4.29Å; Y97-V111 HydrophobicContact CE1-CG1 4.2Å; Y97-V111 HydrophobicContact CE2-CB 3.87Å; Y97-V111 HydrophobicContact CE2-CG1 4.17Å; Y97-V111 HydrophobicContact CE2-CG2 4.07Å; Y97-V111 PolarHBondContact N-O 3.2Å; Y97-V111 WeakPolarHBondContact O-CB 3.39Å; Y97-V111 PolarHBondContact O-N 3.2Å |
| 98 | P | 92 | Very high | 82.6 | Confident | 34 Ų | 34 | 89.6 Ų | 89.6 | 22% | 0.221 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 142.5 | 171.7 | 32.7 | -33.7 | 0 | 0 | 0 | 110.1 | K100 L110 | P98-K100 WeakPolarHBondContact CB-O 3.48Å; P98-K100 PolarHBondContact O-N 2.64Å; P98-L110 HydrophobicContact CB-CD2 4.12Å |
| 99 | S | 86.6 | Confident | 82.1 | Confident | 71 Ų | 71 | 88.2 Ų | 88.2 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -62.2 | -30.7 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 112.2 | L109 | S99-L109 WeakPolarHBondContact CB-O 3.41Å; S99-L109 PolarHBondContact N-O 2.82Å |
| 100 | K | 78.7 | Confident | 81.9 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -119.4 | 136.1 | 176.4 | -62.3 | 179.6 | -175.9 | 172.6 | 0 | 110.2 | P98 L104 | P98-K100 WeakPolarHBondContact CB-O 3.48Å; P98-K100 PolarHBondContact O-N 2.64Å; K100-L104 HydrophobicContact CB-CD1 4.48Å; K100-L104 HydrophobicContact CD-CD1 3.56Å |
| 101 | T | 64.9 | Low | 81.9 | Confident | 141 Ų | 141 | 81.3 Ų | 81.3 | 87% | 0.865 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -83.5 | -16.1 | -177.2 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 102 | Q | 61.1 | Low | 81.9 | Confident | 138 Ų | 138 | 75.7 Ų | 75.7 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -89.9 | 135.2 | 177.2 | -73.6 | 177.2 | 3.8 | 0 | 0 | 110.9 | L104 | Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 2.79Å |
| 103 | P | 56.9 | Low | 81.9 | Confident | 135 Ų | 135 | 76.3 Ų | 76.3 | 88% | 0.877 | 40% | 0.395 | S | S | * | . | trans | -68.4 | 93.2 | 172.1 | 24.6 | -26.9 | 0 | 0 | 0 | 108.9 | ||||
| 104 | L | 55.3 | Low | 81.9 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | trans | -84.9 | 136.9 | 174 | -69.8 | 161.9 | 0 | 0 | 0 | 108.2 | K100 Q102 H106 | K100-L104 HydrophobicContact CB-CD1 4.48Å; K100-L104 HydrophobicContact CD-CD1 3.56Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 2.79Å; L104-H106 HydrophobicContact CB-CB 4.4Å; L104-H106 PolarHBondContact O-N 2.98Å | ||
| 105 | Q | 55.3 | Low | 81.9 | Confident | 186 Ų | 186 | 69.9 Ų | 69.9 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -67.8 | 20.2 | 167 | -72.1 | 178 | -23.3 | 0 | 0 | 112.8 | ||
| 106 | H | 62.1 | Low | 81.9 | Confident | 132 Ų | 132 | 68.2 Ų | 68.2 | 61% | 0.611 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -133.1 | 164.8 | -172.6 | -62.7 | 67.8 | 0 | 0 | 0 | 109.6 | L104 N108 | L104-H106 HydrophobicContact CB-CB 4.4Å; L104-H106 PolarHBondContact O-N 2.98Å; H106-N108 PolarHBondContact O-N 2.71Å |
| 107 | H | 67.6 | Low | 81.9 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | trans | -40.4 | 126.3 | 178.9 | -65.9 | -91.6 | 0 | 0 | 0 | 113 | E157 | H107-E157 HydrophobicContact CB-CG 4.47Å; H107-E157 IonicContact CG-OE1 3.73Å; H107-E157 IonicContact ND1-OE1 3.76Å; H107-E157 PolarHBondContact ND1-OE1 2.65Å | ||
| 108 | N | 77.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152.3 | 173.5 | -160.7 | 5.6 | 0 | 0 | 0 | 109.5 | H106 T158 | H106-N108 PolarHBondContact O-N 2.71Å; N108-T158 PolarHBondContact N-O 3.49Å; N108-T158 PolarHBondContact O-N 3.15Å |
| 109 | L | 88.7 | Confident | 82.5 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 112.5 | 175 | -79.1 | 158.1 | 0 | 0 | 0 | 107.9 | S99 M155 L156 E157 | S99-L109 WeakPolarHBondContact CB-O 3.41Å; S99-L109 PolarHBondContact N-O 2.82Å; L109-M155 HydrophobicContact CD2-CB 4.06Å; L109-L156 WeakPolarHBondContact CA-O 3.45Å; L109-E157 HydrophobicContact CD2-CB 4.02Å |
| 110 | L | 93.8 | Very high | 83 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.9 | 166.1 | -68.7 | 178.2 | 0 | 0 | 0 | 108.3 | P98 W126 M155 L156 T158 Y166 W183 | P98-L110 HydrophobicContact CB-CD2 4.12Å; L110-W126 HydrophobicContact CB-CH2 3.83Å; L110-W126 HydrophobicContact CB-CZ2 4.07Å; L110-M155 CarbonylContact O-C 3.59Å; L110-M155 VanDerWaalsContact O-CA 3.22Å; L110-M155 WeakPolarHBondContact O-CA 3.23Å; L110-L156 HydrophobicContact CB-CB 4.49Å; L110-L156 PolarHBondContact N-O 3.18Å; L110-L156 PolarHBondContact O-N 3.41Å; L110-T158 HydrophobicContact CD1-CG2 4.02Å; L110-T158 HydrophobicContact CG-CG2 4.23Å; L110-Y166 HydrophobicContact CD1-CD1 3.73Å; L110-Y166 HydrophobicContact CD1-CD2 3.81Å; L110-Y166 HydrophobicContact CD1-CE1 4.19Å; L110-Y166 HydrophobicContact CD1-CE2 4.29Å; L110-Y166 HydrophobicContact CD1-CG 3.49Å; L110-Y166 VanDerWaalsContact CD1-CG 3.49Å; L110-W183 HydrophobicContact CD1-CD2 4.26Å; L110-W183 HydrophobicContact CD1-CE3 3.62Å; L110-W183 HydrophobicContact CD1-CZ3 3.92Å; L110-W183 HydrophobicContact CD2-CD2 3.52Å; L110-W183 HydrophobicContact CD2-CE3 3.62Å; L110-W183 HydrophobicContact CD2-CG 4.13Å; L110-W183 HydrophobicContact CD2-CH2 4Å; L110-W183 HydrophobicContact CD2-CZ2 3.91Å; L110-W183 HydrophobicContact CD2-CZ3 3.86Å; L110-W183 HydrophobicContact CG-CE3 4.28Å; L110-W183 HydrophobicContact CG-CZ3 4.46Å |
| 111 | V | 96.6 | Very high | 83.9 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.4 | -175.4 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | V96 Y97 L153 M155 | V96-V111 VanDerWaalsContact CA-O 3.3Å; V96-V111 WeakPolarHBondContact CA-O 3.41Å; Y97-V111 HydrophobicContact CD2-CB 4.22Å; Y97-V111 HydrophobicContact CD2-CG2 4.47Å; Y97-V111 HydrophobicContact CE1-CB 4.29Å; Y97-V111 HydrophobicContact CE1-CG1 4.2Å; Y97-V111 HydrophobicContact CE2-CB 3.87Å; Y97-V111 HydrophobicContact CE2-CG1 4.17Å; Y97-V111 HydrophobicContact CE2-CG2 4.07Å; Y97-V111 PolarHBondContact N-O 3.2Å; Y97-V111 WeakPolarHBondContact O-CB 3.39Å; Y97-V111 PolarHBondContact O-N 3.2Å; V111-L153 HydrophobicContact CG1-CB 4.45Å; V111-L153 HydrophobicContact CG1-CD2 4.3Å; V111-M155 HydrophobicContact CB-CG 4.49Å; V111-M155 HydrophobicContact CG1-CG 4.17Å; V111-M155 HydrophobicContact CG2-CG 4.18Å |
| 112 | C | 98.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 104.9 | 164 | -174 | 0 | 0 | 0 | 0 | 108.8 | V96 W126 L153 V154 C168 | V96-C112 HydrophobicContact CG2-CB 4.35Å; C112-W126 HydrophobicContact CB-CH2 4.26Å; C112-W126 HydrophobicContact CB-CZ2 3.58Å; C112-L153 WeakPolarHBondContact O-CA 3.17Å; C112-V154 WeakPolarHBondContact CB-O 3.37Å; C112-V154 PolarHBondContact N-O 2.97Å; C112-V154 PolarHBondContact O-N 2.95Å; C112-C168 HydrophobicContact CB-CB 3.59Å; C112-C168 WeakPolarHBondContact CB-SG 3.45Å; C112-C168 WeakPolarHBondContact SG-CB 3.47Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 3.37Å |
| 113 | S | 98.3 | Very high | 87.2 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.3 | 176 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | V94 T95 | V94-S113 CarbonylContact C-O 3.49Å; V94-S113 WeakPolarHBondContact CA-O 3.42Å; T95-S113 PolarHBondContact N-O 3.19Å; T95-S113 PolarHBondContact O-N 2.86Å |
| 114 | V | 98.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116 | 178.4 | -169 | 0 | 0 | 0 | 0 | 108.4 | P92 K93 V94 F117 I122 V124 Q151 T152 V170 | P92-V114 HydrophobicContact CB-CG1 3.55Å; K93-V114 WeakPolarHBondContact O-CA 3.17Å; V94-V114 HydrophobicContact CG1-CG2 4.49Å; V94-V114 HydrophobicContact CG2-CG1 4.38Å; V114-F117 HydrophobicContact CB-CE1 4.34Å; V114-F117 HydrophobicContact CG1-CD1 3.9Å; V114-F117 HydrophobicContact CG1-CE1 3.9Å; V114-F117 WeakPolarHBondContact O-CE1 3.44Å; V114-I122 HydrophobicContact CG1-CD1 3.59Å; V114-V124 HydrophobicContact CG2-CG1 4.32Å; V114-V124 HydrophobicContact CG2-CG2 4.03Å; V114-Q151 CarbonylContact O-C 3.56Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.35Å; V114-T152 HydrophobicContact CB-CG2 4.09Å; V114-T152 PolarHBondContact N-O 2.86Å; V114-T152 PolarHBondContact O-N 3.23Å; V114-V170 HydrophobicContact CG1-CG1 4.05Å; V114-V170 HydrophobicContact CG1-CG2 4.41Å; V114-V170 HydrophobicContact CG2-CG2 3.74Å |
| 115 | S | 98.4 | Very high | 91.3 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154 | -168.2 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | K93 | K93-S115 PolarHBondContact N-O 3.39Å; K93-S115 PolarHBondContact O-N 3.13Å |
| 116 | G | 98.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.8 | 20.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V90 F150 | V90-G116 WeakPolarHBondContact CG1-O 3.2Å; G116-F150 PolarHBondContact N-O 3.02Å |
| 117 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 159.1 | -175.7 | 62.3 | -88.9 | 0 | 0 | 0 | 113.1 | V90 P92 V114 P119 I122 L142 T149 F150 T152 H172 | V90-F117 WeakPolarHBondContact O-CA 3.29Å; P92-F117 HydrophobicContact CB-CB 3.77Å; P92-F117 HydrophobicContact CB-CD1 4.15Å; P92-F117 HydrophobicContact CB-CG 4.24Å; P92-F117 HydrophobicContact CG-CB 4.34Å; V114-F117 HydrophobicContact CB-CE1 4.34Å; V114-F117 HydrophobicContact CG1-CD1 3.9Å; V114-F117 HydrophobicContact CG1-CE1 3.9Å; V114-F117 WeakPolarHBondContact O-CE1 3.44Å; F117-P119 WeakPolarHBondContact CD2-O 3.43Å; F117-I122 HydrophobicContact CD1-CD1 3.96Å; F117-I122 HydrophobicContact CD2-CB 4.47Å; F117-I122 HydrophobicContact CD2-CD1 3.86Å; F117-I122 HydrophobicContact CE1-CD1 3.76Å; F117-I122 HydrophobicContact CE2-CB 3.86Å; F117-I122 HydrophobicContact CE2-CD1 3.67Å; F117-I122 HydrophobicContact CE2-CG1 4.37Å; F117-I122 HydrophobicContact CE2-CG2 3.8Å; F117-I122 HydrophobicContact CG-CD1 4.01Å; F117-I122 HydrophobicContact CZ-CB 4.26Å; F117-I122 HydrophobicContact CZ-CD1 3.62Å; F117-I122 HydrophobicContact CZ-CG2 3.81Å; F117-L142 HydrophobicContact CE2-CD1 3.84Å; F117-L142 HydrophobicContact CZ-CD1 3.7Å; F117-T149 CarbonylContact O-C 3.45Å; F117-T149 WeakPolarHBondContact O-CA 3Å; F117-F150 WeakPolarHBondContact CD1-O 3.32Å; F117-F150 HydrophobicContact CD2-CB 4.05Å; F117-F150 HydrophobicContact CE1-CB 4.25Å; F117-F150 HydrophobicContact CE2-CB 3.64Å; F117-F150 HydrophobicContact CE2-CG 4.49Å; F117-F150 HydrophobicContact CZ-CB 3.74Å; F117-F150 PolarHBondContact N-O 3.11Å; F117-F150 PolarHBondContact O-N 3.32Å; F117-T152 HydrophobicContact CE1-CG2 4.38Å; F117-T152 HydrophobicContact CZ-CG2 4.29Å; F117-H172 AromaticContact CD2-CD2 3.84Å; F117-H172 AromaticContact CD2-NE2 3.66Å |
| 118 | Y | 98.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 31 Ų | 31 | 14% | 0.141 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -155.9 | 138.1 | 172.4 | -176.5 | -79.9 | 0 | 0 | 0 | 109.4 | T85 R88 R89 V90 W148 F150 H172 | T85-Y118 VanDerWaalsContact O-CE1 3.31Å; T85-Y118 WeakPolarHBondContact O-CE1 3.45Å; T85-Y118 PolarHBondContact O-OH 3.45Å; R88-Y118 HydrophobicContact CB-CD1 3.94Å; R88-Y118 HydrophobicContact CB-CE1 3.78Å; R88-Y118 HydrophobicContact CG-CD1 3.74Å; R88-Y118 HydrophobicContact CG-CE1 4.01Å; R88-Y118 HydrophobicContact CG-CG 4.49Å; R88-Y118 WeakPolarHBondContact O-CD1 3.49Å; R89-Y118 CarbonylContact C-O 3.52Å; R89-Y118 WeakPolarHBondContact CA-O 3.42Å; V90-Y118 PolarHBondContact N-O 3.21Å; V90-Y118 PolarHBondContact O-N 3.04Å; Y118-W148 WeakPolarHBondContact CD2-O 3.41Å; Y118-W148 HydrophobicContact CE2-CE3 4.14Å; Y118-F150 HydrophobicContact CD2-CD2 4.11Å; Y118-F150 AromaticContact CD2-CE2 3.64Å; Y118-F150 HydrophobicContact CD2-CE2 3.64Å; Y118-F150 AromaticContact CE2-CE2 3.99Å; Y118-F150 HydrophobicContact CE2-CE2 3.99Å; Y118-H172 PolarHBondContact O-CE1 3.06Å |
| 119 | P | 98.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | S | Bend | cis | -74.1 | -179.9 | 4.3 | 33.4 | -39 | 0 | 0 | 0 | 113.1 | F117 S121 H172 P173 | F117-P119 WeakPolarHBondContact CD2-O 3.43Å; P119-S121 VanDerWaalsContact C-N 3.26Å; P119-S121 PolarHBondContact O-N 3.38Å; P119-H172 PolarHBondContact O-NE2 2.97Å; P119-P173 HydrophobicContact CG-CG 4.47Å |
| 120 | G | 97.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -72 | -14.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I122 L142 F150 | G120-I122 PolarHBondContact O-N 3.05Å; G120-L142 WeakPolarHBondContact O-CD1 3.48Å; G120-F150 VanDerWaalsContact N-CE2 3.31Å |
| 121 | S | 97.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 61% | 0.608 | 24% | 0.241 | S | C | * | . | trans | -70.7 | 115.9 | 178 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | P119 H172 P173 | P119-S121 VanDerWaalsContact C-N 3.26Å; P119-S121 PolarHBondContact O-N 3.38Å; S121-H172 PolarHBondContact O-CD2 3Å; S121-H172 VanDerWaalsContact O-CD2 3.25Å; S121-P173 VanDerWaalsContact O-CD 3.32Å; S121-P173 WeakPolarHBondContact O-CD 3.45Å | ||
| 122 | I | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | trans | -150.4 | 148.1 | -174.9 | -164.7 | 165.2 | 0 | 0 | 0 | 110.2 | V114 F117 G120 V124 T152 V170 E171 H172 | V114-I122 HydrophobicContact CG1-CD1 3.59Å; F117-I122 HydrophobicContact CD1-CD1 3.96Å; F117-I122 HydrophobicContact CD2-CB 4.47Å; F117-I122 HydrophobicContact CD2-CD1 3.86Å; F117-I122 HydrophobicContact CE1-CD1 3.76Å; F117-I122 HydrophobicContact CE2-CB 3.86Å; F117-I122 HydrophobicContact CE2-CD1 3.67Å; F117-I122 HydrophobicContact CE2-CG1 4.37Å; F117-I122 HydrophobicContact CE2-CG2 3.8Å; F117-I122 HydrophobicContact CG-CD1 4.01Å; F117-I122 HydrophobicContact CZ-CB 4.26Å; F117-I122 HydrophobicContact CZ-CD1 3.62Å; F117-I122 HydrophobicContact CZ-CG2 3.81Å; G120-I122 PolarHBondContact O-N 3.05Å; I122-V124 HydrophobicContact CD1-CG2 4.3Å; I122-V124 HydrophobicContact CG1-CG2 4.15Å; I122-T152 HydrophobicContact CG2-CG2 4.48Å; I122-V170 HydrophobicContact CD1-CG1 3.71Å; I122-V170 HydrophobicContact CG1-CG1 3.97Å; I122-E171 WeakPolarHBondContact CG1-O 3.48Å; I122-H172 HydrophobicContact CD1-CB 4.45Å; I122-H172 HydrophobicContact CG1-CB 4.23Å | ||
| 123 | E | 98.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.1 | 170.3 | -172.9 | 177.1 | 163.1 | 0 | 0 | 109.4 | R125 V170 E171 | E123-R125 HydrophobicContact CG-CG 4.28Å; E123-R125 WeakPolarHBondContact OE1-CD 3.04Å; E123-R125 IonicContact OE1-CZ 3.06Å; E123-R125 IonicContact OE1-NE 2.68Å; E123-R125 IonicContact OE1-NH1 2.66Å; E123-R125 PolarHBondContact OE1-NH1 2.77Å; E123-R125 IonicContact OE2-NH1 3.28Å; E123-V170 WeakPolarHBondContact O-CA 3.42Å; E123-E171 HydrophobicContact CB-CB 4.26Å; E123-E171 PolarHBondContact N-O 2.75Å; E123-E171 PolarHBondContact O-N 2.77Å |
| 124 | V | 98.5 | Very high | 97.5 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 121.8 | -178.7 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | V114 I122 T152 V154 Q169 V170 | V114-V124 HydrophobicContact CG2-CG1 4.32Å; V114-V124 HydrophobicContact CG2-CG2 4.03Å; I122-V124 HydrophobicContact CD1-CG2 4.3Å; I122-V124 HydrophobicContact CG1-CG2 4.15Å; V124-T152 HydrophobicContact CG2-CG2 4.29Å; V124-V154 HydrophobicContact CB-CB 4.38Å; V124-V154 HydrophobicContact CB-CG2 3.75Å; V124-V154 HydrophobicContact CG1-CB 3.76Å; V124-V154 HydrophobicContact CG1-CG1 4.25Å; V124-V154 HydrophobicContact CG1-CG2 3.65Å; V124-V154 HydrophobicContact CG2-CG2 4.32Å; V124-Q169 WeakPolarHBondContact CA-O 3.27Å; V124-V170 HydrophobicContact CG1-CG2 4.22Å; V124-V170 HydrophobicContact CG2-CG1 4.37Å; V124-V170 HydrophobicContact CG2-CG2 4.21Å |
| 125 | R | 98.5 | Very high | 97.3 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.6 | -176.4 | -65.7 | -174.8 | -64.9 | -134.9 | 6.8 | 111 | E123 F127 E132 Q169 E171 | E123-R125 HydrophobicContact CG-CG 4.28Å; E123-R125 WeakPolarHBondContact OE1-CD 3.04Å; E123-R125 IonicContact OE1-CZ 3.06Å; E123-R125 IonicContact OE1-NE 2.68Å; E123-R125 IonicContact OE1-NH1 2.66Å; E123-R125 PolarHBondContact OE1-NH1 2.77Å; E123-R125 IonicContact OE2-NH1 3.28Å; R125-F127 HydrophobicContact CB-CD2 4.45Å; R125-F127 HydrophobicContact CB-CE2 3.75Å; R125-F127 HydrophobicContact CB-CZ 4.46Å; R125-E132 VanDerWaalsContact CD-OE1 3.27Å; R125-E132 WeakPolarHBondContact CD-OE1 3.35Å; R125-Q169 PolarHBondContact N-O 3.09Å; R125-Q169 PolarHBondContact O-N 2.93Å; R125-E171 IonicContact CZ-OE1 2.85Å; R125-E171 IonicContact NH1-OE1 3.99Å; R125-E171 IonicContact NH2-OE1 3.58Å; R125-E171 PolarHBondContact NH2-OE1 3.01Å |
| 126 | W | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.4 | 170.8 | -84.4 | 107.3 | 0 | 0 | 0 | 110.5 | V96 L110 C112 E132 E133 V137 V154 L156 T167 C168 | V96-W126 HydrophobicContact CG1-CH2 3.63Å; V96-W126 HydrophobicContact CG1-CZ3 4.32Å; V96-W126 HydrophobicContact CG2-CH2 4.24Å; L110-W126 HydrophobicContact CB-CH2 3.83Å; L110-W126 HydrophobicContact CB-CZ2 4.07Å; C112-W126 HydrophobicContact CB-CH2 4.26Å; C112-W126 HydrophobicContact CB-CZ2 3.58Å; W126-E132 CarbonylContact O-C 3.57Å; W126-E132 WeakPolarHBondContact O-CA 3.24Å; W126-E133 PolarHBondContact O-N 2.96Å; W126-V137 HydrophobicContact CB-CG2 4.26Å; W126-V137 HydrophobicContact CG-CG2 4.47Å; W126-V154 PolarHBondContact NE1-O 3.37Å; W126-L156 HydrophobicContact CB-CD2 4.35Å; W126-L156 HydrophobicContact CD2-CB 3.99Å; W126-L156 HydrophobicContact CD2-CD2 4.21Å; W126-L156 HydrophobicContact CE3-CD2 4.29Å; W126-L156 HydrophobicContact CG-CB 3.99Å; W126-L156 HydrophobicContact CG-CD2 4.26Å; W126-L156 HydrophobicContact CZ2-CB 4.4Å; W126-T167 CarbonylContact C-O 3.57Å; W126-C168 HydrophobicContact CE3-CB 4.31Å; W126-C168 HydrophobicContact CH2-CB 4.2Å; W126-C168 HydrophobicContact CZ2-CB 4.44Å; W126-C168 HydrophobicContact CZ3-CB 4.11Å |
| 127 | F | 98.1 | Very high | 97 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.7 | 171 | -64.8 | -103.7 | 0 | 0 | 0 | 109.5 | R125 Q131 E132 Y166 T167 Q169 | R125-F127 HydrophobicContact CB-CD2 4.45Å; R125-F127 HydrophobicContact CB-CE2 3.75Å; R125-F127 HydrophobicContact CB-CZ 4.46Å; F127-Q131 CarbonylContact C-O 3.5Å; F127-Q131 WeakPolarHBondContact CA-O 3.35Å; F127-E132 HydrophobicContact CD1-CB 4.08Å; F127-E132 HydrophobicContact CE1-CB 3.81Å; F127-E132 HydrophobicContact CE1-CG 4.34Å; F127-E132 HydrophobicContact CZ-CB 4.3Å; F127-E132 HydrophobicContact CZ-CG 4.34Å; F127-Y166 CarbonylContact O-C 3.58Å; F127-Y166 WeakPolarHBondContact O-CA 3.39Å; F127-T167 PolarHBondContact N-O 2.65Å; F127-T167 PolarHBondContact O-N 3.29Å; F127-Q169 HydrophobicContact CD2-CB 4.09Å; F127-Q169 HydrophobicContact CE2-CB 3.73Å; F127-Q169 HydrophobicContact CE2-CG 4.43Å |
| 128 | R | 96 | Very high | 96.9 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.3 | 171.9 | -176.1 | -176.9 | -174.5 | 174.3 | 4.2 | 108.2 | G130 Q131 E164 Y166 | R128-G130 PolarHBondContact O-N 2.9Å; R128-G130 VanDerWaalsContact O-N 3.16Å; R128-Q131 PolarHBondContact N-O 3.48Å; R128-Q131 PolarHBondContact O-N 3Å; R128-E164 IonicContact CZ-OE1 3.65Å; R128-E164 VanDerWaalsContact CZ-OE1 3.3Å; R128-E164 IonicContact CZ-OE2 3.33Å; R128-E164 IonicContact NE-OE1 3.55Å; R128-E164 PolarHBondContact NE-OE1 3.33Å; R128-E164 IonicContact NE-OE2 3.14Å; R128-E164 PolarHBondContact NE-OE2 3.34Å; R128-E164 IonicContact NH2-OE1 3.3Å; R128-E164 PolarHBondContact NH2-OE1 2.91Å; R128-E164 IonicContact NH2-OE2 3.47Å; R128-E164 PolarHBondContact NH2-OE2 3.09Å; R128-Y166 HydrophobicContact CB-CD1 4.34Å; R128-Y166 HydrophobicContact CB-CE1 4.35Å; R128-Y166 HydrophobicContact CG-CD1 4.27Å; R128-Y166 HydrophobicContact CG-CE1 3.92Å |
| 129 | N | 95.2 | Very high | 96.8 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.7 | -176.5 | -56.9 | -31.3 | 0 | 0 | 0 | 112.9 | Q131 E164 V165 | N129-Q131 VanDerWaalsContact C-N 3.32Å; N129-Q131 PolarHBondContact O-N 3.34Å; N129-E164 WeakPolarHBondContact OD1-CA 3.43Å; N129-V165 PolarHBondContact N-O 2.82Å; N129-V165 PolarHBondContact OD1-N 3.42Å |
| 130 | G | 94.6 | Very high | 96.7 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -2.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | R128 | R128-G130 PolarHBondContact O-N 2.9Å; R128-G130 VanDerWaalsContact O-N 3.16Å |
| 131 | Q | 97 | Very high | 96.7 | Very high | 154 Ų | 154 | 67.4 Ų | 67.4 | 72% | 0.72 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.8 | 173.4 | -65.3 | -171.3 | -16.2 | 0 | 0 | 110.7 | F127 R128 N129 E133 | F127-Q131 CarbonylContact C-O 3.5Å; F127-Q131 WeakPolarHBondContact CA-O 3.35Å; R128-Q131 PolarHBondContact N-O 3.48Å; R128-Q131 PolarHBondContact O-N 3Å; N129-Q131 VanDerWaalsContact C-N 3.32Å; N129-Q131 PolarHBondContact O-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.93Å |
| 132 | E | 97.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 125.7 | 178.7 | -168.5 | -171.7 | -178.9 | 0 | 0 | 110.1 | R125 W126 F127 K134 | R125-E132 VanDerWaalsContact CD-OE1 3.27Å; R125-E132 WeakPolarHBondContact CD-OE1 3.35Å; W126-E132 CarbonylContact O-C 3.57Å; W126-E132 WeakPolarHBondContact O-CA 3.24Å; F127-E132 HydrophobicContact CD1-CB 4.08Å; F127-E132 HydrophobicContact CE1-CB 3.81Å; F127-E132 HydrophobicContact CE1-CG 4.34Å; F127-E132 HydrophobicContact CZ-CB 4.3Å; F127-E132 HydrophobicContact CZ-CG 4.34Å; E132-K134 HydrophobicContact CG-CG 4.49Å; E132-K134 WeakPolarHBondContact OE1-CE 3.43Å; E132-K134 IonicContact OE1-NZ 2.75Å; E132-K134 PolarHBondContact OE1-NZ 3.37Å; E132-K134 WeakPolarHBondContact OE2-CE 3.43Å; E132-K134 IonicContact OE2-NZ 2.62Å; E132-K134 PolarHBondContact OE2-NZ 3.02Å; E132-K134 VanDerWaalsContact OE2-NZ 3.15Å |
| 133 | E | 96.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123 | 177.4 | -176.5 | 60.1 | -92.8 | 0 | 0 | 109.5 | W126 Q131 T135 V137 L156 | W126-E133 PolarHBondContact O-N 2.96Å; Q131-E133 PolarHBondContact O-N 2.93Å; E133-T135 VanDerWaalsContact OE1-CB 3.26Å; E133-T135 WeakPolarHBondContact OE1-CB 3.44Å; E133-T135 PolarHBondContact OE1-N 2.03Å; E133-T135 PolarHBondContact OE1-OG1 2.92Å; E133-V137 VanDerWaalsContact O-CG2 3.32Å; E133-V137 WeakPolarHBondContact O-CG2 3.25Å; E133-L156 HydrophobicContact CG-CD1 3.66Å; E133-L156 HydrophobicContact CG-CD2 4.39Å |
| 134 | K | 96.1 | Very high | 96.6 | Very high | 142 Ų | 142 | 70.1 Ų | 70.1 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | trans | -113.4 | -22.5 | 178 | -63.5 | -177.1 | -178.2 | 176.9 | 0 | 111.6 | E132 V137 | E132-K134 HydrophobicContact CG-CG 4.49Å; E132-K134 WeakPolarHBondContact OE1-CE 3.43Å; E132-K134 IonicContact OE1-NZ 2.75Å; E132-K134 PolarHBondContact OE1-NZ 3.37Å; E132-K134 WeakPolarHBondContact OE2-CE 3.43Å; E132-K134 IonicContact OE2-NZ 2.62Å; E132-K134 PolarHBondContact OE2-NZ 3.02Å; E132-K134 VanDerWaalsContact OE2-NZ 3.15Å; K134-V137 PolarHBondContact O-N 3.02Å | ||
| 135 | T | 94.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 71.7 Ų | 71.7 | 69% | 0.693 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 130.3 | -177.2 | -47.1 | 0 | 0 | 0 | 0 | 109.1 | E133 V137 L156 | E133-T135 VanDerWaalsContact OE1-CB 3.26Å; E133-T135 WeakPolarHBondContact OE1-CB 3.44Å; E133-T135 PolarHBondContact OE1-N 2.03Å; E133-T135 PolarHBondContact OE1-OG1 2.92Å; T135-V137 PolarHBondContact O-N 3.02Å; T135-L156 WeakPolarHBondContact O-CD1 3.27Å |
| 136 | G | 92.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 72 Ų | 72 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 10.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E157 | G136-E157 PolarHBondContact O-N 3.35Š|
| 137 | V | 96.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 76.5 Ų | 76.5 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.7 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | W126 E133 K134 T135 V154 M155 L156 | W126-V137 HydrophobicContact CB-CG2 4.26Å; W126-V137 HydrophobicContact CG-CG2 4.47Å; E133-V137 VanDerWaalsContact O-CG2 3.32Å; E133-V137 WeakPolarHBondContact O-CG2 3.25Å; K134-V137 PolarHBondContact O-N 3.02Å; T135-V137 PolarHBondContact O-N 3.02Å; V137-V154 HydrophobicContact CG1-CG1 3.56Å; V137-M155 CarbonylContact C-O 3.52Å; V137-M155 VanDerWaalsContact CA-O 3.27Å; V137-M155 WeakPolarHBondContact CA-O 3.43Å; V137-L156 HydrophobicContact CG2-CD1 3.79Å |
| 138 | V | 96 | Very high | 96.3 | Very high | 78 Ų | 78 | 81.5 Ų | 81.5 | 47% | 0.473 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.8 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | V154 M155 | V138-V154 WeakPolarHBondContact O-CA 3.25Å; V138-M155 HydrophobicContact CB-CE 4.41Å; V138-M155 HydrophobicContact CG1-CE 4.2Å; V138-M155 PolarHBondContact N-O 3.23Å; V138-M155 PolarHBondContact O-N 2.93Å |
| 139 | S | 96.7 | Very high | 96.4 | Very high | 63 Ų | 63 | 79.3 Ų | 79.3 | 44% | 0.441 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.2 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 111 | G141 L153 | S139-G141 PolarHBondContact O-N 3.44Å; S139-G141 PolarHBondContact OG-N 3.47Å; S139-L153 WeakPolarHBondContact CA-O 3.41Å |
| 140 | T | 96.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 76.3 Ų | 76.3 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | trans | -71.7 | -8.3 | 167.8 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | L153 M155 | T140-L153 HydrophobicContact CG2-CB 3.79Å; T140-L153 HydrophobicContact CG2-CD1 4.17Å; T140-L153 HydrophobicContact CG2-CG 4.23Å; T140-L153 PolarHBondContact N-O 2.76Å; T140-L153 PolarHBondContact OG1-N 2.86Å; T140-M155 HydrophobicContact CG2-CE 4.05Å | ||
| 141 | G | 96.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 76.5 Ų | 76.5 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | trans | 71.7 | -173.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S139 T152 | S139-G141 PolarHBondContact O-N 3.44Å; S139-G141 PolarHBondContact OG-N 3.47Å; G141-T152 WeakPolarHBondContact O-CB 3.27Å; G141-T152 PolarHBondContact O-OG1 2.87Å | ||
| 142 | L | 97.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | trans | -84.2 | 127.4 | -178.4 | -171.2 | 71 | 0 | 0 | 0 | 110.5 | F117 G120 F150 | F117-L142 HydrophobicContact CE2-CD1 3.84Å; F117-L142 HydrophobicContact CZ-CD1 3.7Å; G120-L142 WeakPolarHBondContact O-CD1 3.48Å; L142-F150 HydrophobicContact CD1-CB 3.7Å; L142-F150 HydrophobicContact CD1-CD1 3.8Å; L142-F150 HydrophobicContact CD1-CG 3.96Å; L142-F150 HydrophobicContact CD2-CD1 3.58Å; L142-F150 HydrophobicContact CD2-CE1 3.65Å; L142-F150 HydrophobicContact CD2-CG 4.33Å; L142-F150 HydrophobicContact CD2-CZ 4.49Å; L142-F150 HydrophobicContact CG-CB 4.38Å; L142-F150 HydrophobicContact CG-CD1 3.55Å; L142-F150 HydrophobicContact CG-CE1 4.11Å; L142-F150 HydrophobicContact CG-CG 4.23Å | ||
| 143 | I | 98.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 35% | 0.349 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.3 | 178.9 | -57.5 | 170 | 0 | 0 | 0 | 108.7 | F150 Q151 | I143-F150 VanDerWaalsContact O-CA 3.27Å; I143-F150 WeakPolarHBondContact O-CA 3.38Å; I143-Q151 HydrophobicContact CB-CG 3.7Å; I143-Q151 WeakPolarHBondContact CB-O 3.44Å; I143-Q151 HydrophobicContact CD1-CG 4.24Å; I143-Q151 HydrophobicContact CG1-CG 4.49Å; I143-Q151 HydrophobicContact CG2-CG 3.98Å; I143-Q151 PolarHBondContact N-O 3.21Å; I143-Q151 PolarHBondContact O-N 2.85Å |
| 144 | H | 97.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 65.7 Ų | 65.7 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.3 | 176.7 | -171.7 | -91.1 | 0 | 0 | 0 | 110.6 | G146 F150 | H144-G146 PolarHBondContact ND1-N 3.49Å; H144-F150 HydrophobicContact CB-CD1 4.36Å; H144-F150 HydrophobicContact CB-CE1 4.22Å; H144-F150 AromaticContact CD2-CE1 3.48Å; H144-F150 VanDerWaalsContact CD2-CE1 3.48Å; H144-F150 WeakPolarHBondContact CD2-CE1 3.32Å; H144-F150 AromaticContact CD2-CZ 3.71Å |
| 145 | N | 97.1 | Very high | 97 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | trans | -82 | -15.8 | -172.6 | -65.7 | -25.7 | 0 | 0 | 0 | 114 | D147 T149 Q151 | N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 VanDerWaalsContact CB-OD1 3.22Å; N145-D147 WeakPolarHBondContact CB-OD1 3.41Å; N145-T149 WeakPolarHBondContact CB-O 3.27Å; N145-T149 PolarHBondContact N-O 3.21Å; N145-T149 VanDerWaalsContact N-O 3.1Å; N145-T149 PolarHBondContact ND2-O 3.46Å; N145-T149 PolarHBondContact ND2-OG1 3.43Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.28Å; N145-Q151 PolarHBondContact OD1-NE2 3.07Å | ||
| 146 | G | 96.5 | Very high | 97 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 83.8 | -0.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | H144 | H144-G146 PolarHBondContact ND1-N 3.49Š|
| 147 | D | 97.1 | Very high | 97.1 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -115.1 | 23.4 | 179.9 | 69.7 | -7.7 | 0 | 0 | 0 | 113 | N145 T149 | N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 VanDerWaalsContact CB-OD1 3.22Å; N145-D147 WeakPolarHBondContact CB-OD1 3.41Å; D147-T149 VanDerWaalsContact C-N 3.26Å; D147-T149 PolarHBondContact O-N 2.93Å; D147-T149 WeakPolarHBondContact OD1-CB 3.4Å; D147-T149 PolarHBondContact OD1-N 3.06Å; D147-T149 PolarHBondContact OD1-OG1 3.13Å; D147-T149 PolarHBondContact OD2-OG1 2.99Å |
| 148 | W | 96.4 | Very high | 96.7 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 53% | 0.534 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 64.6 | 24.5 | -173 | -61.8 | 74.6 | 0 | 0 | 0 | 114.6 | T85 Y118 | T85-W148 HydrophobicContact CG2-CH2 4.15Å; T85-W148 HydrophobicContact CG2-CZ3 4.12Å; Y118-W148 WeakPolarHBondContact CD2-O 3.41Å; Y118-W148 HydrophobicContact CE2-CE3 4.14Å |
| 149 | T | 98.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | trans | -126.7 | 163 | 168.5 | 73.3 | 0 | 0 | 0 | 0 | 111.9 | F117 N145 D147 | F117-T149 CarbonylContact O-C 3.45Å; F117-T149 WeakPolarHBondContact O-CA 3Å; N145-T149 WeakPolarHBondContact CB-O 3.27Å; N145-T149 PolarHBondContact N-O 3.21Å; N145-T149 VanDerWaalsContact N-O 3.1Å; N145-T149 PolarHBondContact ND2-O 3.46Å; N145-T149 PolarHBondContact ND2-OG1 3.43Å; D147-T149 VanDerWaalsContact C-N 3.26Å; D147-T149 PolarHBondContact O-N 2.93Å; D147-T149 WeakPolarHBondContact OD1-CB 3.4Å; D147-T149 PolarHBondContact OD1-N 3.06Å; D147-T149 PolarHBondContact OD1-OG1 3.13Å; D147-T149 PolarHBondContact OD2-OG1 2.99Å | ||
| 150 | F | 98.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 162.5 | 178 | -63.4 | -88.9 | 0 | 0 | 0 | 111.4 | G116 F117 Y118 G120 L142 I143 H144 | G116-F150 PolarHBondContact N-O 3.02Å; F117-F150 WeakPolarHBondContact CD1-O 3.32Å; F117-F150 HydrophobicContact CD2-CB 4.05Å; F117-F150 HydrophobicContact CE1-CB 4.25Å; F117-F150 HydrophobicContact CE2-CB 3.64Å; F117-F150 HydrophobicContact CE2-CG 4.49Å; F117-F150 HydrophobicContact CZ-CB 3.74Å; F117-F150 PolarHBondContact N-O 3.11Å; F117-F150 PolarHBondContact O-N 3.32Å; Y118-F150 HydrophobicContact CD2-CD2 4.11Å; Y118-F150 AromaticContact CD2-CE2 3.64Å; Y118-F150 HydrophobicContact CD2-CE2 3.64Å; Y118-F150 AromaticContact CE2-CE2 3.99Å; Y118-F150 HydrophobicContact CE2-CE2 3.99Å; G120-F150 VanDerWaalsContact N-CE2 3.31Å; L142-F150 HydrophobicContact CD1-CB 3.7Å; L142-F150 HydrophobicContact CD1-CD1 3.8Å; L142-F150 HydrophobicContact CD1-CG 3.96Å; L142-F150 HydrophobicContact CD2-CD1 3.58Å; L142-F150 HydrophobicContact CD2-CE1 3.65Å; L142-F150 HydrophobicContact CD2-CG 4.33Å; L142-F150 HydrophobicContact CD2-CZ 4.49Å; L142-F150 HydrophobicContact CG-CB 4.38Å; L142-F150 HydrophobicContact CG-CD1 3.55Å; L142-F150 HydrophobicContact CG-CE1 4.11Å; L142-F150 HydrophobicContact CG-CG 4.23Å; I143-F150 VanDerWaalsContact O-CA 3.27Å; I143-F150 WeakPolarHBondContact O-CA 3.38Å; H144-F150 HydrophobicContact CB-CD1 4.36Å; H144-F150 HydrophobicContact CB-CE1 4.22Å; H144-F150 AromaticContact CD2-CE1 3.48Å; H144-F150 VanDerWaalsContact CD2-CE1 3.48Å; H144-F150 WeakPolarHBondContact CD2-CE1 3.32Å; H144-F150 AromaticContact CD2-CZ 3.71Å |
| 151 | Q | 98.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 157.4 | 168 | 65.2 | -177.4 | -43.2 | 0 | 0 | 111.2 | V114 I143 N145 | V114-Q151 CarbonylContact O-C 3.56Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.35Å; I143-Q151 HydrophobicContact CB-CG 3.7Å; I143-Q151 WeakPolarHBondContact CB-O 3.44Å; I143-Q151 HydrophobicContact CD1-CG 4.24Å; I143-Q151 HydrophobicContact CG1-CG 4.49Å; I143-Q151 HydrophobicContact CG2-CG 3.98Å; I143-Q151 PolarHBondContact N-O 3.21Å; I143-Q151 PolarHBondContact O-N 2.85Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.28Å; N145-Q151 PolarHBondContact OD1-NE2 3.07Å |
| 152 | T | 98.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.043 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 148 | 171.8 | -169 | 0 | 0 | 0 | 0 | 109.8 | V114 F117 I122 V124 G141 | V114-T152 HydrophobicContact CB-CG2 4.09Å; V114-T152 PolarHBondContact N-O 2.86Å; V114-T152 PolarHBondContact O-N 3.23Å; F117-T152 HydrophobicContact CE1-CG2 4.38Å; F117-T152 HydrophobicContact CZ-CG2 4.29Å; I122-T152 HydrophobicContact CG2-CG2 4.48Å; V124-T152 HydrophobicContact CG2-CG2 4.29Å; G141-T152 WeakPolarHBondContact O-CB 3.27Å; G141-T152 PolarHBondContact O-OG1 2.87Å |
| 153 | L | 97.9 | Very high | 93.9 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126 | 171.3 | -53.9 | 177.1 | 0 | 0 | 0 | 108.3 | V111 C112 S139 T140 | V111-L153 HydrophobicContact CG1-CB 4.45Å; V111-L153 HydrophobicContact CG1-CD2 4.3Å; C112-L153 WeakPolarHBondContact O-CA 3.17Å; S139-L153 WeakPolarHBondContact CA-O 3.41Å; T140-L153 HydrophobicContact CG2-CB 3.79Å; T140-L153 HydrophobicContact CG2-CD1 4.17Å; T140-L153 HydrophobicContact CG2-CG 4.23Å; T140-L153 PolarHBondContact N-O 2.76Å; T140-L153 PolarHBondContact OG1-N 2.86Å |
| 154 | V | 98.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.6 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | C112 V124 W126 V137 V138 | C112-V154 WeakPolarHBondContact CB-O 3.37Å; C112-V154 PolarHBondContact N-O 2.97Å; C112-V154 PolarHBondContact O-N 2.95Å; V124-V154 HydrophobicContact CB-CB 4.38Å; V124-V154 HydrophobicContact CB-CG2 3.75Å; V124-V154 HydrophobicContact CG1-CB 3.76Å; V124-V154 HydrophobicContact CG1-CG1 4.25Å; V124-V154 HydrophobicContact CG1-CG2 3.65Å; V124-V154 HydrophobicContact CG2-CG2 4.32Å; W126-V154 PolarHBondContact NE1-O 3.37Å; V137-V154 HydrophobicContact CG1-CG1 3.56Å; V138-V154 WeakPolarHBondContact O-CA 3.25Å |
| 155 | M | 96.6 | Very high | 93.5 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.1 | -171.4 | -61.6 | 161.3 | -77.9 | 0 | 0 | 109.7 | L109 L110 V111 V137 V138 T140 | L109-M155 HydrophobicContact CD2-CB 4.06Å; L110-M155 CarbonylContact O-C 3.59Å; L110-M155 VanDerWaalsContact O-CA 3.22Å; L110-M155 WeakPolarHBondContact O-CA 3.23Å; V111-M155 HydrophobicContact CB-CG 4.49Å; V111-M155 HydrophobicContact CG1-CG 4.17Å; V111-M155 HydrophobicContact CG2-CG 4.18Å; V137-M155 CarbonylContact C-O 3.52Å; V137-M155 VanDerWaalsContact CA-O 3.27Å; V137-M155 WeakPolarHBondContact CA-O 3.43Å; V138-M155 HydrophobicContact CB-CE 4.41Å; V138-M155 HydrophobicContact CG1-CE 4.2Å; V138-M155 PolarHBondContact N-O 3.23Å; V138-M155 PolarHBondContact O-N 2.93Å; T140-M155 HydrophobicContact CG2-CE 4.05Å |
| 156 | L | 96.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.7 | 173.3 | 173.8 | 64.8 | 0 | 0 | 0 | 109.2 | L109 L110 W126 E133 T135 V137 T158 Y166 | L109-L156 WeakPolarHBondContact CA-O 3.45Å; L110-L156 HydrophobicContact CB-CB 4.49Å; L110-L156 PolarHBondContact N-O 3.18Å; L110-L156 PolarHBondContact O-N 3.41Å; W126-L156 HydrophobicContact CB-CD2 4.35Å; W126-L156 HydrophobicContact CD2-CB 3.99Å; W126-L156 HydrophobicContact CD2-CD2 4.21Å; W126-L156 HydrophobicContact CE3-CD2 4.29Å; W126-L156 HydrophobicContact CG-CB 3.99Å; W126-L156 HydrophobicContact CG-CD2 4.26Å; W126-L156 HydrophobicContact CZ2-CB 4.4Å; E133-L156 HydrophobicContact CG-CD1 3.66Å; E133-L156 HydrophobicContact CG-CD2 4.39Å; T135-L156 WeakPolarHBondContact O-CD1 3.27Å; V137-L156 HydrophobicContact CG2-CD1 3.79Å; L156-T158 HydrophobicContact CG-CG2 4.46Å; L156-T158 PolarHBondContact O-N 3.37Å; L156-Y166 HydrophobicContact CD2-CD1 3.64Å; L156-Y166 HydrophobicContact CD2-CE1 3.83Å |
| 157 | E | 93.1 | Very high | 93.5 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.3 | 170.3 | -172.2 | 175.4 | -175.1 | 0 | 0 | 110 | H107 L109 G136 | H107-E157 HydrophobicContact CB-CG 4.47Å; H107-E157 IonicContact CG-OE1 3.73Å; H107-E157 IonicContact ND1-OE1 3.76Å; H107-E157 PolarHBondContact ND1-OE1 2.65Å; L109-E157 HydrophobicContact CD2-CB 4.02Å; G136-E157 PolarHBondContact O-N 3.35Å |
| 158 | T | 89.1 | Confident | 93.6 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 9% | 0.086 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 166.8 | -177.2 | -163 | 0 | 0 | 0 | 0 | 111.9 | N108 L110 L156 P160 Y166 | N108-T158 PolarHBondContact N-O 3.49Å; N108-T158 PolarHBondContact O-N 3.15Å; L110-T158 HydrophobicContact CD1-CG2 4.02Å; L110-T158 HydrophobicContact CG-CG2 4.23Å; L156-T158 HydrophobicContact CG-CG2 4.46Å; L156-T158 PolarHBondContact O-N 3.37Å; T158-P160 HydrophobicContact CG2-CG 4.12Å; T158-Y166 HydrophobicContact CG2-CE1 3.78Å; T158-Y166 PolarHBondContact OG1-OH 3.06Å |
| 159 | V | 87.3 | Confident | 93.7 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | trans | -116.3 | 93.7 | 170.7 | -177.6 | 0 | 0 | 0 | 0 | 106.5 | R161 | V159-R161 PolarHBondContact O-N 3.41Š| ||
| 160 | P | 83.2 | Confident | 93.7 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | trans | -58.8 | 132.7 | -173.2 | -24.2 | 33.2 | 0 | 0 | 0 | 112 | T158 Y166 W183 | T158-P160 HydrophobicContact CG2-CG 4.12Å; P160-Y166 HydrophobicContact CB-CE2 4.36Å; P160-W183 HydrophobicContact CB-CH2 3.75Å; P160-W183 HydrophobicContact CB-CZ3 3.81Å; P160-W183 HydrophobicContact CG-CH2 3.76Å; P160-W183 HydrophobicContact CG-CZ3 3.95Å | ||
| 161 | R | 84.6 | Confident | 93.7 | Very high | 179 Ų | 179 | 47.4 Ų | 47.4 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | trans | -108.3 | 150.3 | 172.2 | -56.3 | 178.3 | 179.2 | -174.9 | -0.7 | 110.2 | V159 G163 E164 | V159-R161 PolarHBondContact O-N 3.41Å; R161-G163 PolarHBondContact O-N 3.36Å; R161-E164 HydrophobicContact CB-CG 4.03Å; R161-E164 PolarHBondContact N-OE2 3.02Å; R161-E164 VanDerWaalsContact N-OE2 3.12Å; R161-E164 WeakPolarHBondContact O-CB 3.48Å; R161-E164 PolarHBondContact O-N 3.48Å | ||
| 162 | S | 83.4 | Confident | 93.7 | Very high | 135 Ų | 135 | 44.7 Ų | 44.7 | 94% | 0.944 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.6 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 163 | G | 86.6 | Confident | 93.7 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 76% | 0.763 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -0.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R161 | R161-G163 PolarHBondContact O-N 3.36Š|
| 164 | E | 91.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | trans | -83.9 | 140.9 | 171 | -59.9 | -172.9 | 142.2 | 0 | 0 | 110.7 | R128 N129 R161 Y166 | R128-E164 IonicContact CZ-OE1 3.65Å; R128-E164 VanDerWaalsContact CZ-OE1 3.3Å; R128-E164 IonicContact CZ-OE2 3.33Å; R128-E164 IonicContact NE-OE1 3.55Å; R128-E164 PolarHBondContact NE-OE1 3.33Å; R128-E164 IonicContact NE-OE2 3.14Å; R128-E164 PolarHBondContact NE-OE2 3.34Å; R128-E164 IonicContact NH2-OE1 3.3Å; R128-E164 PolarHBondContact NH2-OE1 2.91Å; R128-E164 IonicContact NH2-OE2 3.47Å; R128-E164 PolarHBondContact NH2-OE2 3.09Å; N129-E164 WeakPolarHBondContact OD1-CA 3.43Å; R161-E164 HydrophobicContact CB-CG 4.03Å; R161-E164 PolarHBondContact N-OE2 3.02Å; R161-E164 VanDerWaalsContact N-OE2 3.12Å; R161-E164 WeakPolarHBondContact O-CB 3.48Å; R161-E164 PolarHBondContact O-N 3.48Å; E164-Y166 HydrophobicContact CB-CE2 3.88Å; E164-Y166 PolarHBondContact OE2-OH 3.44Å; E164-Y166 VanDerWaalsContact OE2-OH 3.12Å | ||
| 165 | V | 94.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | trans | -113.5 | 127.5 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | N129 E182 | N129-V165 PolarHBondContact N-O 2.82Å; N129-V165 PolarHBondContact OD1-N 3.42Å; V165-E182 HydrophobicContact CG1-CB 4.33Å; V165-E182 HydrophobicContact CG1-CG 4.26Å | ||
| 166 | Y | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130 | 176.4 | -65.5 | -95.7 | 0 | 0 | 0 | 109.7 | L110 F127 R128 L156 T158 P160 E164 E182 W183 | L110-Y166 HydrophobicContact CD1-CD1 3.73Å; L110-Y166 HydrophobicContact CD1-CD2 3.81Å; L110-Y166 HydrophobicContact CD1-CE1 4.19Å; L110-Y166 HydrophobicContact CD1-CE2 4.29Å; L110-Y166 HydrophobicContact CD1-CG 3.49Å; L110-Y166 VanDerWaalsContact CD1-CG 3.49Å; F127-Y166 CarbonylContact O-C 3.58Å; F127-Y166 WeakPolarHBondContact O-CA 3.39Å; R128-Y166 HydrophobicContact CB-CD1 4.34Å; R128-Y166 HydrophobicContact CB-CE1 4.35Å; R128-Y166 HydrophobicContact CG-CD1 4.27Å; R128-Y166 HydrophobicContact CG-CE1 3.92Å; L156-Y166 HydrophobicContact CD2-CD1 3.64Å; L156-Y166 HydrophobicContact CD2-CE1 3.83Å; T158-Y166 HydrophobicContact CG2-CE1 3.78Å; T158-Y166 PolarHBondContact OG1-OH 3.06Å; P160-Y166 HydrophobicContact CB-CE2 4.36Å; E164-Y166 HydrophobicContact CB-CE2 3.88Å; E164-Y166 PolarHBondContact OE2-OH 3.44Å; E164-Y166 VanDerWaalsContact OE2-OH 3.12Å; Y166-E182 CarbonylContact O-C 3.48Å; Y166-E182 VanDerWaalsContact O-CA 3.3Å; Y166-E182 WeakPolarHBondContact O-CA 3.46Å; Y166-W183 AromaticContact CD2-CE3 3.78Å; Y166-W183 HydrophobicContact CD2-CE3 3.78Å; Y166-W183 AromaticContact CD2-CZ3 3.88Å; Y166-W183 HydrophobicContact CD2-CZ3 3.88Å; Y166-W183 HydrophobicContact CE2-CE3 4.47Å; Y166-W183 HydrophobicContact CE2-CZ3 4.12Å; Y166-W183 HydrophobicContact CG-CE3 4.41Å; Y166-W183 PolarHBondContact N-O 3Å; Y166-W183 PolarHBondContact O-N 3.47Å |
| 167 | T | 98.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 56 Ų | 56 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.7 | -178.3 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | W126 F127 T180 V181 E182 | W126-T167 CarbonylContact C-O 3.57Å; F127-T167 PolarHBondContact N-O 2.65Å; F127-T167 PolarHBondContact O-N 3.29Å; T167-T180 HydrophobicContact CG2-CG2 4.12Å; T167-V181 WeakPolarHBondContact CA-O 3.5Å; T167-E182 HydrophobicContact CG2-CG 4.08Å |
| 168 | C | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.9 | 163.1 | -178.3 | 0 | 0 | 0 | 0 | 109 | V96 C112 W126 T180 V181 | V96-C168 HydrophobicContact CG2-CB 3.61Å; C112-C168 HydrophobicContact CB-CB 3.59Å; C112-C168 WeakPolarHBondContact CB-SG 3.45Å; C112-C168 WeakPolarHBondContact SG-CB 3.47Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 3.37Å; W126-C168 HydrophobicContact CE3-CB 4.31Å; W126-C168 HydrophobicContact CH2-CB 4.2Å; W126-C168 HydrophobicContact CZ2-CB 4.44Å; W126-C168 HydrophobicContact CZ3-CB 4.11Å; C168-T180 WeakPolarHBondContact O-CA 3.44Å; C168-V181 PolarHBondContact N-O 3.44Å; C168-V181 PolarHBondContact O-N 2.71Å |
| 169 | Q | 98.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.3 | 175.4 | -174.7 | 177.5 | 77 | 0 | 0 | 110 | V124 R125 F127 P178 L179 T180 | V124-Q169 WeakPolarHBondContact CA-O 3.27Å; R125-Q169 PolarHBondContact N-O 3.09Å; R125-Q169 PolarHBondContact O-N 2.93Å; F127-Q169 HydrophobicContact CD2-CB 4.09Å; F127-Q169 HydrophobicContact CE2-CB 3.73Å; F127-Q169 HydrophobicContact CE2-CG 4.43Å; Q169-P178 HydrophobicContact CG-CB 3.71Å; Q169-L179 CarbonylContact C-O 3.54Å; Q169-L179 VanDerWaalsContact CA-O 3.28Å; Q169-L179 WeakPolarHBondContact CA-O 3.25Å; Q169-T180 HydrophobicContact CB-CG2 4.14Å; Q169-T180 HydrophobicContact CG-CG2 3.92Å |
| 170 | V | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.5 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | P92 V94 V114 I122 E123 V124 P178 L179 | P92-V170 HydrophobicContact CG-CG1 4.15Å; V94-V170 HydrophobicContact CG1-CG2 4.06Å; V94-V170 HydrophobicContact CG2-CB 4.16Å; V94-V170 HydrophobicContact CG2-CG2 3.71Å; V114-V170 HydrophobicContact CG1-CG1 4.05Å; V114-V170 HydrophobicContact CG1-CG2 4.41Å; V114-V170 HydrophobicContact CG2-CG2 3.74Å; I122-V170 HydrophobicContact CD1-CG1 3.71Å; I122-V170 HydrophobicContact CG1-CG1 3.97Å; E123-V170 WeakPolarHBondContact O-CA 3.42Å; V124-V170 HydrophobicContact CG1-CG2 4.22Å; V124-V170 HydrophobicContact CG2-CG1 4.37Å; V124-V170 HydrophobicContact CG2-CG2 4.21Å; V170-P178 CarbonylContact O-C 3.58Å; V170-P178 WeakPolarHBondContact O-CA 3.31Å; V170-L179 HydrophobicContact CB-CB 4.35Å; V170-L179 PolarHBondContact N-O 2.94Å; V170-L179 PolarHBondContact O-N 3.33Å |
| 171 | E | 98.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.8 | 169.5 | -57.1 | -169.3 | -176.3 | 0 | 0 | 109.6 | I122 E123 R125 P178 | I122-E171 WeakPolarHBondContact CG1-O 3.48Å; E123-E171 HydrophobicContact CB-CB 4.26Å; E123-E171 PolarHBondContact N-O 2.75Å; E123-E171 PolarHBondContact O-N 2.77Å; R125-E171 IonicContact CZ-OE1 2.85Å; R125-E171 IonicContact NH1-OE1 3.99Å; R125-E171 IonicContact NH2-OE1 3.58Å; R125-E171 PolarHBondContact NH2-OE1 3.01Å; E171-P178 HydrophobicContact CG-CB 4.03Å; E171-P178 HydrophobicContact CG-CG 3.98Å |
| 172 | H | 98.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.046 | 34% | 0.34 | C | S | . | . | trans | -150.6 | 140.7 | -177.9 | -179.1 | -104.3 | 0 | 0 | 0 | 110.3 | V90 P92 F117 Y118 P119 S121 I122 S174 V175 | V90-H172 PolarHBondContact O-CE1 3.26Å; V90-H172 VanDerWaalsContact O-CE1 3.26Å; P92-H172 HydrophobicContact CG-CB 4.09Å; F117-H172 AromaticContact CD2-CD2 3.84Å; F117-H172 AromaticContact CD2-NE2 3.66Å; Y118-H172 PolarHBondContact O-CE1 3.06Å; P119-H172 PolarHBondContact O-NE2 2.97Å; S121-H172 PolarHBondContact O-CD2 3Å; S121-H172 VanDerWaalsContact O-CD2 3.25Å; I122-H172 HydrophobicContact CD1-CB 4.45Å; I122-H172 HydrophobicContact CG1-CB 4.23Å; H172-S174 PolarHBondContact CE1-OG 2.65Å; H172-S174 VanDerWaalsContact ND1-CB 3.25Å; H172-S174 WeakPolarHBondContact ND1-CB 3.48Å; H172-S174 PolarHBondContact ND1-N 3.1Å; H172-S174 PolarHBondContact ND1-OG 2.95Å; H172-S174 PolarHBondContact O-N 2.93Å; H172-V175 HydrophobicContact CB-CG2 4.23Å; H172-V175 WeakPolarHBondContact O-CG2 3.48Å; H172-V175 PolarHBondContact O-N 3.3Å | ||
| 173 | P | 97.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -8.8 | -177.1 | -26.6 | 35.8 | 0 | 0 | 0 | 116.2 | P119 S121 | P119-P173 HydrophobicContact CG-CG 4.47Å; S121-P173 VanDerWaalsContact O-CD 3.32Å; S121-P173 WeakPolarHBondContact O-CD 3.45Å |
| 174 | S | 97.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.6 | 174.3 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | V90 H91 H172 | V90-S174 PolarHBondContact O-OG 3.1Å; H91-S174 WeakPolarHBondContact CA-OG 3.26Å; H91-S174 PolarHBondContact CE1-O 2.96Å; H91-S174 PolarHBondContact NE2-O 3.1Å; H91-S174 VanDerWaalsContact NE2-O 3.09Å; H172-S174 PolarHBondContact CE1-OG 2.65Å; H172-S174 VanDerWaalsContact ND1-CB 3.25Å; H172-S174 WeakPolarHBondContact ND1-CB 3.48Å; H172-S174 PolarHBondContact ND1-N 3.1Å; H172-S174 PolarHBondContact ND1-OG 2.95Å; H172-S174 PolarHBondContact O-N 2.93Å |
| 175 | V | 97.5 | Very high | 97.4 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | trans | -110.9 | 147.2 | -177.8 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | H91 H172 S177 L179 | H91-V175 WeakPolarHBondContact CD2-CG1 3.37Å; H172-V175 HydrophobicContact CB-CG2 4.23Å; H172-V175 WeakPolarHBondContact O-CG2 3.48Å; H172-V175 PolarHBondContact O-N 3.3Å; V175-S177 WeakPolarHBondContact CG2-O 3.39Å; V175-L179 HydrophobicContact CG1-CD1 4.3Å; V175-L179 HydrophobicContact CG1-CD2 4.17Å; V175-L179 HydrophobicContact CG1-CG 4.21Å | ||
| 176 | T | 96.6 | Very high | 97.5 | Very high | 156 Ų | 156 | 53.7 Ų | 53.7 | 96% | 0.957 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -85.4 | -22.2 | 178.6 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 177 | S | 97.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 51% | 0.51 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -133.2 | 151.5 | 175.4 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | V175 L179 | V175-S177 WeakPolarHBondContact CG2-O 3.39Å; S177-L179 PolarHBondContact O-N 3.31Å |
| 178 | P | 97.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | trans | -57.1 | 138.1 | 176.5 | -22.1 | 32.4 | 0 | 0 | 0 | 111.8 | Q169 V170 E171 | Q169-P178 HydrophobicContact CG-CB 3.71Å; V170-P178 CarbonylContact O-C 3.58Å; V170-P178 WeakPolarHBondContact O-CA 3.31Å; E171-P178 HydrophobicContact CG-CB 4.03Å; E171-P178 HydrophobicContact CG-CG 3.98Å | ||
| 179 | L | 98.1 | Very high | 97.5 | Very high | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.3 | 171.2 | -58.7 | 178.1 | 0 | 0 | 0 | 108.9 | P92 V94 Q169 V170 V175 S177 | P92-L179 HydrophobicContact CG-CD1 3.8Å; V94-L179 HydrophobicContact CG2-CB 4.33Å; V94-L179 HydrophobicContact CG2-CD1 3.96Å; Q169-L179 CarbonylContact C-O 3.54Å; Q169-L179 VanDerWaalsContact CA-O 3.28Å; Q169-L179 WeakPolarHBondContact CA-O 3.25Å; V170-L179 HydrophobicContact CB-CB 4.35Å; V170-L179 PolarHBondContact N-O 2.94Å; V170-L179 PolarHBondContact O-N 3.33Å; V175-L179 HydrophobicContact CG1-CD1 4.3Å; V175-L179 HydrophobicContact CG1-CD2 4.17Å; V175-L179 HydrophobicContact CG1-CG 4.21Å; S177-L179 PolarHBondContact O-N 3.31Å |
| 180 | T | 98 | Very high | 97.4 | Very high | 81 Ų | 81 | 65 Ų | 65 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.1 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | T167 C168 Q169 | T167-T180 HydrophobicContact CG2-CG2 4.12Å; C168-T180 WeakPolarHBondContact O-CA 3.44Å; Q169-T180 HydrophobicContact CB-CG2 4.14Å; Q169-T180 HydrophobicContact CG-CG2 3.92Å |
| 181 | V | 98.2 | Very high | 97.3 | Very high | 43 Ų | 43 | 70 Ų | 70 | 26% | 0.261 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.8 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | V94 V96 T167 C168 | V94-V181 HydrophobicContact CB-CG2 3.81Å; V94-V181 HydrophobicContact CG1-CB 4.16Å; V94-V181 HydrophobicContact CG1-CG2 3.62Å; V96-V181 HydrophobicContact CB-CG1 3.99Å; V96-V181 HydrophobicContact CG2-CB 3.87Å; V96-V181 HydrophobicContact CG2-CG1 3.71Å; T167-V181 WeakPolarHBondContact CA-O 3.5Å; C168-V181 PolarHBondContact N-O 3.44Å; C168-V181 PolarHBondContact O-N 2.71Å |
| 182 | E | 96.7 | Very high | 97.2 | Very high | 135 Ų | 135 | 70.1 Ų | 70.1 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 150.8 | -179.7 | -64.1 | -179.2 | 172.7 | 0 | 0 | 111.3 | V165 Y166 T167 | V165-E182 HydrophobicContact CG1-CB 4.33Å; V165-E182 HydrophobicContact CG1-CG 4.26Å; Y166-E182 CarbonylContact O-C 3.48Å; Y166-E182 VanDerWaalsContact O-CA 3.3Å; Y166-E182 WeakPolarHBondContact O-CA 3.46Å; T167-E182 HydrophobicContact CG2-CG 4.08Å |
| 183 | W | 92.4 | Very high | 97.1 | Very high | 121 Ų | 121 | 75.5 Ų | 75.5 | 46% | 0.458 | 43% | 0.426 | S | S | . | . | trans | -133.9 | 0 | 170.8 | 178.9 | 90 | 0 | 0 | 0 | 110.1 | V96 L110 P160 Y166 | V96-W183 HydrophobicContact CB-CB 4.39Å; V96-W183 HydrophobicContact CG1-CB 3.56Å; V96-W183 HydrophobicContact CG1-CG 4.14Å; L110-W183 HydrophobicContact CD1-CD2 4.26Å; L110-W183 HydrophobicContact CD1-CE3 3.62Å; L110-W183 HydrophobicContact CD1-CZ3 3.92Å; L110-W183 HydrophobicContact CD2-CD2 3.52Å; L110-W183 HydrophobicContact CD2-CE3 3.62Å; L110-W183 HydrophobicContact CD2-CG 4.13Å; L110-W183 HydrophobicContact CD2-CH2 4Å; L110-W183 HydrophobicContact CD2-CZ2 3.91Å; L110-W183 HydrophobicContact CD2-CZ3 3.86Å; L110-W183 HydrophobicContact CG-CE3 4.28Å; L110-W183 HydrophobicContact CG-CZ3 4.46Å; P160-W183 HydrophobicContact CB-CH2 3.75Å; P160-W183 HydrophobicContact CB-CZ3 3.81Å; P160-W183 HydrophobicContact CG-CH2 3.76Å; P160-W183 HydrophobicContact CG-CZ3 3.95Å; Y166-W183 AromaticContact CD2-CE3 3.78Å; Y166-W183 HydrophobicContact CD2-CE3 3.78Å; Y166-W183 AromaticContact CD2-CZ3 3.88Å; Y166-W183 HydrophobicContact CD2-CZ3 3.88Å; Y166-W183 HydrophobicContact CE2-CE3 4.47Å; Y166-W183 HydrophobicContact CE2-CZ3 4.12Å; Y166-W183 HydrophobicContact CG-CE3 4.41Å; Y166-W183 PolarHBondContact N-O 3Å; Y166-W183 PolarHBondContact O-N 3.47Å |
Retrieved 183 of 183 residues in 56.5 ms
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