A0A077Z4J5_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077Z4J5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 aa.

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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
1M50Low87.9Confident241 Ų24186.8 Ų86.8100%1.18747%0.467SS*.  0118.80-89.416770.800107.3
2G67.5Low88.7Confident77 Ų7788.6 Ų88.679%0.79447%0.47SS*.PPolyproline II helixtrans-62.9140.6170.900000109.3Q4G2-Q4 PolarHBondContact O-N 3.31Å
3K75.8Confident89.5Confident124 Ų12485.9 Ų85.954%0.53945%0.452SS..PPolyproline II helixtrans-56.1122.5172.2-178.9-173.5169.9-141.80108.3D21 D24K3-D21 IonicContact NZ-OD1 3.55Å; K3-D21 IonicContact NZ-OD2 3.66Å; K3-D21 PolarHBondContact NZ-OD2 2.85Å; K3-D24 VanDerWaalsContact NZ-CG 3.31Å; K3-D24 IonicContact NZ-OD1 3.16Å; K3-D24 IonicContact NZ-OD2 2.66Å; K3-D24 PolarHBondContact NZ-OD2 3.32Å
4Q88.8Confident90.1Very high175 Ų17579.9 Ų79.982%0.81842%0.421SS*.PPolyproline II helixtrans-77134.8175.6-174.6174.72.200109G2 N6G2-Q4 PolarHBondContact O-N 3.31Å; Q4-N6 PolarHBondContact O-N 3.08Å
5F95.6Very high90.6Very high69 Ų6977.7 Ų77.730%0.30341%0.414SS..PPolyproline II helixtrans-56.4131.2174.2172.6-104.4000110.7L7 D24 A27 V28 L31F5-L7 HydrophobicContact CE1-CB 4.05Å; F5-L7 HydrophobicContact CZ-CB 4.07Å; F5-L7 HydrophobicContact CZ-CD1 4.21Å; F5-D24 HydrophobicContact CD2-CB 4.46Å; F5-A27 HydrophobicContact CD1-CB 4.45Å; F5-A27 HydrophobicContact CD2-CB 3.45Å; F5-A27 VanDerWaalsContact CD2-CB 3.45Å; F5-A27 HydrophobicContact CE2-CB 3.56Å; F5-A27 HydrophobicContact CG-CB 3.91Å; F5-A27 HydrophobicContact CZ-CB 4.13Å; F5-V28 HydrophobicContact CE2-CG2 4.03Å; F5-V28 HydrophobicContact CZ-CG2 4.18Å; F5-L31 HydrophobicContact CE1-CD1 3.59Å; F5-L31 HydrophobicContact CZ-CD1 3.76Å
6N97.3Very high91Very high81 Ų8179.6 Ų79.643%0.43342%0.417SS..  trans-134.2110176.7-179.2-20000109.5Q4 D8 S9 C10Q4-N6 PolarHBondContact O-N 3.08Å; N6-D8 PolarHBondContact O-N 2.86Å; N6-D8 WeakPolarHBondContact OD1-CB 3.23Å; N6-D8 PolarHBondContact OD1-N 2.89Å; N6-S9 PolarHBondContact O-N 2.82Å; N6-S9 PolarHBondContact OD1-N 2.96Å; N6-C10 PolarHBondContact O-N 3.05Å; N6-C10 VanDerWaalsContact O-N 3.12Å; N6-C10 PolarHBondContact O-SG 3.21Å
7L98.2Very high91.3Very high32 Ų3275.9 Ų75.917%0.16840%0.403CS..Hα-helixtrans-64.1-37-178.9-179.563000112.8F5 S9 C10 L11 V102 R103F5-L7 HydrophobicContact CE1-CB 4.05Å; F5-L7 HydrophobicContact CZ-CB 4.07Å; F5-L7 HydrophobicContact CZ-CD1 4.21Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.71Å; L7-C10 WeakPolarHBondContact O-CB 3.44Å; L7-C10 PolarHBondContact O-N 3.24Å; L7-C10 VanDerWaalsContact O-N 3.11Å; L7-L11 HydrophobicContact CG-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.27Å; L7-V102 HydrophobicContact CD1-CB 4.47Å; L7-V102 HydrophobicContact CD1-CG1 4.04Å; L7-V102 HydrophobicContact CD2-CG1 3.79Å; L7-R103 HydrophobicContact CD2-CB 4.24Å
8D98.1Very high91.7Very high99 Ų9976.5 Ų76.553%0.52940%0.403SS..Hα-helixtrans-65.2-38179.2-65.8-30.1000111N6 C10 L11 E12 R103N6-D8 PolarHBondContact O-N 2.86Å; N6-D8 WeakPolarHBondContact OD1-CB 3.23Å; N6-D8 PolarHBondContact OD1-N 2.89Å; D8-C10 VanDerWaalsContact C-N 3.35Å; D8-L11 PolarHBondContact O-N 2.82Å; D8-E12 PolarHBondContact O-N 2.6Å; D8-E12 VanDerWaalsContact O-N 3.08Å; D8-R103 IonicContact OD1-NE 3.71Å
9S98Very high92Very high36 Ų3675.9 Ų75.925%0.25240%0.4SS..Hα-helixtrans-65.4-38.4171.8-175.70000112.1N6 L7 E12 K13N6-S9 PolarHBondContact O-N 2.82Å; N6-S9 PolarHBondContact OD1-N 2.96Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.71Å; S9-E12 PolarHBondContact O-N 3.31Å; S9-K13 WeakPolarHBondContact O-CG 3.19Å; S9-K13 PolarHBondContact O-N 3.11Å
10C98.7Very high92.2Very high0 Ų072.3 Ų72.30%038%0.381CS..Hα-helixtrans-64.5-42176.5-63.20000111.8N6 L7 D8 K13 A14 L20 V28 T99N6-C10 PolarHBondContact O-N 3.05Å; N6-C10 VanDerWaalsContact O-N 3.12Å; N6-C10 PolarHBondContact O-SG 3.21Å; L7-C10 WeakPolarHBondContact O-CB 3.44Å; L7-C10 PolarHBondContact O-N 3.24Å; L7-C10 VanDerWaalsContact O-N 3.11Å; D8-C10 VanDerWaalsContact C-N 3.35Å; C10-K13 PolarHBondContact O-N 3.29Å; C10-A14 WeakPolarHBondContact O-CB 3.36Å; C10-A14 PolarHBondContact O-N 3.37Å; C10-L20 HydrophobicContact CB-CD1 3.86Å; C10-L20 HydrophobicContact CB-CD2 4.18Å; C10-V28 HydrophobicContact CB-CG2 4.3Å; C10-T99 HydrophobicContact CB-CG2 4.09Å
11L98.5Very high92.4Very high21 Ų2171.8 Ų71.811%0.1138%0.379CS..Hα-helixtrans-59.5-46.9175.3-79.7159.3000111.8L7 D8 A14 S15 L100 R103L7-L11 HydrophobicContact CG-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.27Å; D8-L11 PolarHBondContact O-N 2.82Å; L11-A14 PolarHBondContact O-N 2.86Å; L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.49Å; L11-S15 PolarHBondContact O-OG 3.45Å; L11-L100 HydrophobicContact CD2-CD2 4.08Å; L11-R103 HydrophobicContact CD1-CB 3.82Å; L11-R103 HydrophobicContact CD1-CG 3.64Å; L11-R103 HydrophobicContact CD2-CB 4.25Å
12E98.3Very high94.5Very high108 Ų10862.9 Ų62.951%0.50533%0.334SS..Hα-helixtrans-64.4-42.1-180-172.5-173.217400112.2D8 S9 S15 K16D8-E12 PolarHBondContact O-N 2.6Å; D8-E12 VanDerWaalsContact O-N 3.08Å; S9-E12 PolarHBondContact O-N 3.31Å; E12-S15 PolarHBondContact O-OG 2.87Å; E12-K16 WeakPolarHBondContact O-CG 3.15Å; E12-K16 PolarHBondContact O-N 3.32Å; E12-K16 IonicContact OE1-NZ 3.81Å; E12-K16 PolarHBondContact OE1-NZ 2.99Å
13K98.5Very high95.8Very high54 Ų5463.7 Ų63.724%0.23533%0.326CS..Hα-helixtrans-65.5-45.5175.9-73.9-176.5176.1-171.90111.5S9 C10 S15 K16 G17 E18 L20S9-K13 WeakPolarHBondContact O-CG 3.19Å; S9-K13 PolarHBondContact O-N 3.11Å; C10-K13 PolarHBondContact O-N 3.29Å; K13-S15 VanDerWaalsContact C-N 3.32Å; K13-S15 PolarHBondContact O-N 3.17Å; K13-K16 PolarHBondContact O-N 2.99Å; K13-K16 VanDerWaalsContact O-N 3.08Å; K13-G17 PolarHBondContact O-N 3.26Å; K13-E18 HydrophobicContact CB-CB 4.06Å; K13-E18 WeakPolarHBondContact O-CB 3.3Å; K13-E18 PolarHBondContact O-N 2.92Å; K13-L20 HydrophobicContact CB-CD2 3.61Å; K13-L20 HydrophobicContact CD-CD2 3.84Å; K13-L20 HydrophobicContact CG-CD2 4.38Å
14A98.5Very high96.9Very high2 Ų258.1 Ų58.12%0.01730%0.301CS..Hα-helixtrans-64.5-35.3-179.900000112.2C10 L11 K16 G17 Y59 T95 T99C10-A14 WeakPolarHBondContact O-CB 3.36Å; C10-A14 PolarHBondContact O-N 3.37Å; L11-A14 PolarHBondContact O-N 2.86Å; A14-K16 PolarHBondContact O-N 2.89Å; A14-G17 PolarHBondContact O-N 3.46Å; A14-Y59 VanDerWaalsContact O-CE2 3.32Å; A14-Y59 WeakPolarHBondContact O-CE2 3.42Å; A14-Y59 PolarHBondContact O-OH 3.35Å; A14-T95 HydrophobicContact CB-CG2 4.16Å; A14-T99 HydrophobicContact CB-CG2 4.23Å
15S97.8Very high97.3Very high46 Ų4649.8 Ų49.832%0.32226%0.262SS..Hα-helixtrans-72.7-11.4175710000114.2L11 E12 K13 Y59L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.49Å; L11-S15 PolarHBondContact O-OG 3.45Å; E12-S15 PolarHBondContact O-OG 2.87Å; K13-S15 VanDerWaalsContact C-N 3.32Å; K13-S15 PolarHBondContact O-N 3.17Å; S15-Y59 PolarHBondContact O-OH 2.87Å
16K97.2Very high97.4Very high108 Ų10850.8 Ų50.847%0.4726%0.264SS..THydrogen-bonded Turntrans-100.2-2.1173.3-67.8171.2-175170.70113.2E12 K13 A14 E18E12-K16 WeakPolarHBondContact O-CG 3.15Å; E12-K16 PolarHBondContact O-N 3.32Å; E12-K16 IonicContact OE1-NZ 3.81Å; E12-K16 PolarHBondContact OE1-NZ 2.99Å; K13-K16 PolarHBondContact O-N 2.99Å; K13-K16 VanDerWaalsContact O-N 3.08Å; A14-K16 PolarHBondContact O-N 2.89Å; K16-E18 VanDerWaalsContact C-N 3.27Å; K16-E18 HydrophobicContact CB-CG 4.07Å; K16-E18 WeakPolarHBondContact CD-OE1 3.28Å
17G95.6Very high97.5Very high17 Ų1748.2 Ų48.218%0.17525%0.254CS..THydrogen-bonded Turntrans75.317.2-176.200000113.4K13 A14 Y59 Q92K13-G17 PolarHBondContact O-N 3.26Å; A14-G17 PolarHBondContact O-N 3.46Å; G17-Y59 WeakPolarHBondContact CA-OH 3.49Å; G17-Y59 VanDerWaalsContact N-CZ 3.29Å; G17-Y59 PolarHBondContact N-OH 3.44Å; G17-Q92 VanDerWaalsContact O-CG 3.3Å; G17-Q92 WeakPolarHBondContact O-CG 3.44Å
18E97.7Very high97.5Very high87 Ų8746.7 Ų46.741%0.40725%0.246SC..PPolyproline II helixtrans-77.6145.5176.2-63.1176.7-152.100110.5K13 K16K13-E18 HydrophobicContact CB-CB 4.06Å; K13-E18 WeakPolarHBondContact O-CB 3.3Å; K13-E18 PolarHBondContact O-N 2.92Å; K16-E18 VanDerWaalsContact C-N 3.27Å; K16-E18 HydrophobicContact CB-CG 4.07Å; K16-E18 WeakPolarHBondContact CD-OE1 3.28Å
19L97.4Very high97.5Very high66 Ų6642.7 Ų42.735%0.34623%0.225SC..PPolyproline II helixtrans-75.6132.6171.9-65.5173.6000109.8V91 Q92 K133L19-V91 HydrophobicContact CD2-CB 4.19Å; L19-V91 HydrophobicContact CD2-CG1 3.67Å; L19-Q92 HydrophobicContact CD2-CG 4.1Å; L19-K133 HydrophobicContact CD1-CB 4.15Å; L19-K133 HydrophobicContact CD1-CD 3.89Å; L19-K133 HydrophobicContact CD1-CG 4.08Å; L19-K133 HydrophobicContact CD2-CD 3.99Å
20L97.5Very high97.5Very high3 Ų347.1 Ų47.12%0.01624%0.239CC..PPolyproline II helixtrans-72.9148.7166-56.7-174000109.2C10 K13 D24 L25 V28 T95 T99C10-L20 HydrophobicContact CB-CD1 3.86Å; C10-L20 HydrophobicContact CB-CD2 4.18Å; K13-L20 HydrophobicContact CB-CD2 3.61Å; K13-L20 HydrophobicContact CD-CD2 3.84Å; K13-L20 HydrophobicContact CG-CD2 4.38Å; L20-D24 HydrophobicContact CB-CB 4.3Å; L20-L25 HydrophobicContact CB-CB 4.17Å; L20-L25 HydrophobicContact CD1-CD1 4.28Å; L20-V28 HydrophobicContact CD1-CG2 4.2Å; L20-T95 HydrophobicContact CD1-CG2 3.48Å; L20-T95 VanDerWaalsContact CD1-CG2 3.48Å; L20-T95 HydrophobicContact CG-CG2 3.79Å; L20-T99 HydrophobicContact CD1-CG2 4.35Å
21D94.9Very high97.5Very high62 Ų6250.1 Ų50.133%0.33226%0.255SS..PPolyproline II helixtrans-66.8156167.659.340.6000110.2K3 D24 L25K3-D21 IonicContact NZ-OD1 3.55Å; K3-D21 IonicContact NZ-OD2 3.66Å; K3-D21 PolarHBondContact NZ-OD2 2.85Å; D21-D24 PolarHBondContact O-N 3.44Å; D21-D24 VanDerWaalsContact OD1-CB 3.26Å; D21-D24 WeakPolarHBondContact OD1-CB 3.48Å; D21-D24 VanDerWaalsContact OD1-CG 3.26Å; D21-D24 PolarHBondContact OD1-N 3.02Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 PolarHBondContact O-N 3.22Å
22E94.8Very high97.6Very high54 Ų5449.1 Ų49.125%0.25225%0.25SS..Hα-helixtrans-55.7-41.8-174.7179.8177.7163.900113.4L25 R26 L139E22-L25 PolarHBondContact O-N 3.06Å; E22-R26 HydrophobicContact CG-CG 4.27Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.45Å; E22-R26 PolarHBondContact O-N 2.76Å; E22-R26 IonicContact OE1-CZ 3.82Å; E22-R26 IonicContact OE1-NE 3.53Å; E22-R26 PolarHBondContact OE1-NE 2.82Å; E22-R26 IonicContact OE1-NH2 3.6Å; E22-R26 PolarHBondContact OE1-NH2 3.22Å; E22-L139 HydrophobicContact CB-CD1 4.2Å; E22-L139 HydrophobicContact CG-CD1 3.95Å; E22-L139 HydrophobicContact CG-CD2 4.21Å; E22-L139 HydrophobicContact CG-CG 4.06Å
23P95.6Very high97.6Very high94 Ų9448.4 Ų48.461%0.6124%0.243SC*.Hα-helixtrans-60.3-46.3175.9-25.536.1000114L25 A27P23-L25 VanDerWaalsContact C-N 3.35Å; P23-A27 PolarHBondContact O-N 3.44Å; P23-A27 VanDerWaalsContact O-N 3.07Å
24D97.6Very high97.6Very high6 Ų648.5 Ų48.53%0.03225%0.246CC..Hα-helixtrans-63.9-42.7177.3-78.4-8.4000110.8K3 F5 L20 D21 A27 V28K3-D24 VanDerWaalsContact NZ-CG 3.31Å; K3-D24 IonicContact NZ-OD1 3.16Å; K3-D24 IonicContact NZ-OD2 2.66Å; K3-D24 PolarHBondContact NZ-OD2 3.32Å; F5-D24 HydrophobicContact CD2-CB 4.46Å; L20-D24 HydrophobicContact CB-CB 4.3Å; D21-D24 PolarHBondContact O-N 3.44Å; D21-D24 VanDerWaalsContact OD1-CB 3.26Å; D21-D24 WeakPolarHBondContact OD1-CB 3.48Å; D21-D24 VanDerWaalsContact OD1-CG 3.26Å; D21-D24 PolarHBondContact OD1-N 3.02Å; D24-A27 WeakPolarHBondContact O-CB 3.47Å; D24-A27 PolarHBondContact O-N 2.99Å; D24-V28 WeakPolarHBondContact O-CG2 3.27Å; D24-V28 PolarHBondContact O-N 3.47Å
25L97.9Very high97.6Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-65.2-42.3-179.1-170.454.2000112.1L20 D21 E22 P23 A27 V28 I29 V91 T95 F134 L139 F143L20-L25 HydrophobicContact CB-CB 4.17Å; L20-L25 HydrophobicContact CD1-CD1 4.28Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 PolarHBondContact O-N 3.22Å; E22-L25 PolarHBondContact O-N 3.06Å; P23-L25 VanDerWaalsContact C-N 3.35Å; L25-A27 VanDerWaalsContact C-N 3.29Å; L25-A27 PolarHBondContact O-N 3.04Å; L25-V28 PolarHBondContact O-N 2.89Å; L25-I29 HydrophobicContact CG-CD1 4.31Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 2.86Å; L25-V91 HydrophobicContact CD2-CG1 4.35Å; L25-T95 HydrophobicContact CD1-CG2 3.89Å; L25-T95 WeakPolarHBondContact CD1-OG1 3.47Å; L25-F134 HydrophobicContact CD2-CZ 3.93Å; L25-L139 HydrophobicContact CB-CD2 4.37Å; L25-L139 HydrophobicContact CD2-CD1 4.04Å; L25-L139 HydrophobicContact CD2-CD2 3.87Å; L25-L139 HydrophobicContact CG-CD2 4.08Å; L25-F143 HydrophobicContact CD1-CZ 3.91Å; L25-F143 HydrophobicContact CD2-CE2 4.01Å; L25-F143 HydrophobicContact CD2-CZ 3.89Å; L25-F143 HydrophobicContact CG-CZ 4.04Å
26R97.6Very high97.7Very high91 Ų9147.7 Ų47.734%0.34324%0.239SC..Hα-helixtrans-61.4-37.5173.3-75.1179.1178.6-83.52.6112E22 I29 K30 L139 S142E22-R26 HydrophobicContact CG-CG 4.27Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.45Å; E22-R26 PolarHBondContact O-N 2.76Å; E22-R26 IonicContact OE1-CZ 3.82Å; E22-R26 IonicContact OE1-NE 3.53Å; E22-R26 PolarHBondContact OE1-NE 2.82Å; E22-R26 IonicContact OE1-NH2 3.6Å; E22-R26 PolarHBondContact OE1-NH2 3.22Å; R26-I29 PolarHBondContact O-N 3.21Å; R26-K30 WeakPolarHBondContact O-CB 3.07Å; R26-K30 PolarHBondContact O-N 3.28Å; R26-L139 HydrophobicContact CG-CD2 4.12Å; R26-S142 PolarHBondContact NH1-OG 2.82Å
27A98.4Very high97.7Very high27 Ų2746.8 Ų46.822%0.22324%0.239CC..Hα-helixtrans-65.9-43.7175.400000111.7F5 P23 D24 L25 K30 L31F5-A27 HydrophobicContact CD1-CB 4.45Å; F5-A27 HydrophobicContact CD2-CB 3.45Å; F5-A27 VanDerWaalsContact CD2-CB 3.45Å; F5-A27 HydrophobicContact CE2-CB 3.56Å; F5-A27 HydrophobicContact CG-CB 3.91Å; F5-A27 HydrophobicContact CZ-CB 4.13Å; P23-A27 PolarHBondContact O-N 3.44Å; P23-A27 VanDerWaalsContact O-N 3.07Å; D24-A27 WeakPolarHBondContact O-CB 3.47Å; D24-A27 PolarHBondContact O-N 2.99Å; L25-A27 VanDerWaalsContact C-N 3.29Å; L25-A27 PolarHBondContact O-N 3.04Å; A27-K30 PolarHBondContact O-N 2.84Å; A27-L31 WeakPolarHBondContact O-CG 3.31Å; A27-L31 PolarHBondContact O-N 2.94Å
28V98.8Very high97.8Very high0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-59.8-46.5173.7172.60000111.2F5 C10 L20 D24 L25 K30 L31 A32 L98 T99 V102F5-V28 HydrophobicContact CE2-CG2 4.03Å; F5-V28 HydrophobicContact CZ-CG2 4.18Å; C10-V28 HydrophobicContact CB-CG2 4.3Å; L20-V28 HydrophobicContact CD1-CG2 4.2Å; D24-V28 WeakPolarHBondContact O-CG2 3.27Å; D24-V28 PolarHBondContact O-N 3.47Å; L25-V28 PolarHBondContact O-N 2.89Å; V28-K30 VanDerWaalsContact C-N 3.32Å; V28-K30 PolarHBondContact O-N 2.94Å; V28-L31 PolarHBondContact O-N 2.83Å; V28-A32 WeakPolarHBondContact O-CB 3.37Å; V28-A32 PolarHBondContact O-N 2.97Å; V28-L98 HydrophobicContact CG1-CB 3.87Å; V28-T99 HydrophobicContact CG1-CG2 4Å; V28-T99 HydrophobicContact CG2-CG2 4Å; V28-V102 HydrophobicContact CG1-CG2 4.49Å
29I98.8Very high97.8Very high14 Ų1450 Ų507%0.07225%0.253CS..Hα-helixtrans-57.2-45.6177.1-73.3168.3000111L25 R26 A32 R33 L98 L139 F143 L146L25-I29 HydrophobicContact CG-CD1 4.31Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 2.86Å; R26-I29 PolarHBondContact O-N 3.21Å; I29-A32 PolarHBondContact O-N 2.89Å; I29-R33 PolarHBondContact O-N 2.83Å; I29-L98 HydrophobicContact CG1-CD1 4.49Å; I29-L139 HydrophobicContact CD1-CD2 4.31Å; I29-F143 HydrophobicContact CD1-CD1 3.85Å; I29-F143 HydrophobicContact CD1-CD2 4.26Å; I29-F143 HydrophobicContact CD1-CE1 3.74Å; I29-F143 HydrophobicContact CD1-CE2 4.17Å; I29-F143 HydrophobicContact CD1-CG 4.12Å; I29-F143 HydrophobicContact CD1-CZ 3.93Å; I29-F143 HydrophobicContact CG1-CD1 4.07Å; I29-F143 HydrophobicContact CG1-CE1 3.85Å; I29-F143 HydrophobicContact CG1-CZ 4.41Å; I29-L146 HydrophobicContact CB-CD2 4.47Å; I29-L146 HydrophobicContact CG1-CD2 4.3Å; I29-L146 HydrophobicContact CG2-CB 4.07Å; I29-L146 HydrophobicContact CG2-CD2 4.18Å
30K98.6Very high97.8Very high129 Ų12951.2 Ų51.256%0.56126%0.257SS*.Hα-helixtrans-62.5-46178.6-176.1-177.5176.1-1750111.8R26 A27 V28 A32 R33 D34R26-K30 WeakPolarHBondContact O-CB 3.07Å; R26-K30 PolarHBondContact O-N 3.28Å; A27-K30 PolarHBondContact O-N 2.84Å; V28-K30 VanDerWaalsContact C-N 3.32Å; V28-K30 PolarHBondContact O-N 2.94Å; K30-A32 VanDerWaalsContact C-N 3.35Å; K30-R33 WeakPolarHBondContact O-CB 3.46Å; K30-R33 PolarHBondContact O-N 2.87Å; K30-D34 PolarHBondContact O-N 3.34Å; K30-D34 VanDerWaalsContact O-N 3.14Å
31L98.8Very high97.9Very high64 Ų6451.6 Ų51.634%0.33526%0.26SS..Hα-helixtrans-63.6-41.5177.9-68.9171000111.5F5 A27 V28 R33 D34 V35 V102F5-L31 HydrophobicContact CE1-CD1 3.59Å; F5-L31 HydrophobicContact CZ-CD1 3.76Å; A27-L31 WeakPolarHBondContact O-CG 3.31Å; A27-L31 PolarHBondContact O-N 2.94Å; V28-L31 PolarHBondContact O-N 2.83Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 2.82Å; L31-D34 PolarHBondContact O-N 3.43Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.84Å; L31-V102 HydrophobicContact CB-CB 4.4Å; L31-V102 HydrophobicContact CB-CG1 3.62Å; L31-V102 HydrophobicContact CB-CG2 3.78Å; L31-V102 HydrophobicContact CD1-CG1 3.84Å; L31-V102 HydrophobicContact CG-CG1 4.32Å
32A98.9Very high98Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-63.1-41177.300000111.6V28 I29 K30 D34 V35 F36 L98 V102 L146V28-A32 WeakPolarHBondContact O-CB 3.37Å; V28-A32 PolarHBondContact O-N 2.97Å; I29-A32 PolarHBondContact O-N 2.89Å; K30-A32 VanDerWaalsContact C-N 3.35Å; A32-D34 VanDerWaalsContact C-N 3.31Å; A32-D34 PolarHBondContact O-N 2.83Å; A32-V35 WeakPolarHBondContact O-CB 3.37Å; A32-V35 PolarHBondContact O-N 3.22Å; A32-F36 HydrophobicContact CB-CD2 4.4Å; A32-F36 HydrophobicContact CB-CE2 4.14Å; A32-F36 WeakPolarHBondContact O-CD2 3.26Å; A32-F36 WeakPolarHBondContact O-CG 3.39Å; A32-F36 PolarHBondContact O-N 3.26Å; A32-L98 HydrophobicContact CB-CD2 3.86Å; A32-V102 HydrophobicContact CB-CG2 3.77Å; A32-L146 HydrophobicContact CB-CD1 4.02Å; A32-L146 HydrophobicContact CB-CD2 4.2Å
33R98.8Very high98.2Very high92 Ų9246.8 Ų46.835%0.34724%0.237SC..Hα-helixtrans-56.7-46.6174.2-173.4-160.169.5171.64.4111.3I29 K30 L31 V35 F36 L37 L146 Y149I29-R33 PolarHBondContact O-N 2.83Å; K30-R33 WeakPolarHBondContact O-CB 3.46Å; K30-R33 PolarHBondContact O-N 2.87Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 2.82Å; R33-V35 VanDerWaalsContact C-N 3.29Å; R33-V35 PolarHBondContact O-N 2.92Å; R33-F36 PolarHBondContact O-N 2.9Å; R33-L37 WeakPolarHBondContact O-CB 3.27Å; R33-L37 PolarHBondContact O-N 2.87Å; R33-L146 HydrophobicContact CB-CD1 3.75Å; R33-L146 VanDerWaalsContact N-CD1 3.34Å; R33-Y149 HydrophobicContact CG-CD1 3.88Å; R33-Y149 HydrophobicContact CG-CD2 3.77Å; R33-Y149 HydrophobicContact CG-CE1 3.94Å; R33-Y149 HydrophobicContact CG-CE2 3.8Å; R33-Y149 HydrophobicContact CG-CG 3.81Å
34D98.6Very high98.4Very high57 Ų5749.2 Ų49.231%0.30524%0.238SC..Hα-helixtrans-66.3-32.9-179-63-16.3000111.3K30 L31 A32 N38K30-D34 PolarHBondContact O-N 3.34Å; K30-D34 VanDerWaalsContact O-N 3.14Å; L31-D34 PolarHBondContact O-N 3.43Å; A32-D34 VanDerWaalsContact C-N 3.31Å; A32-D34 PolarHBondContact O-N 2.83Å; D34-N38 PolarHBondContact O-ND2 3.05Å
35V98.8Very high98.4Very high31 Ų3149.2 Ų49.219%0.18824%0.237CC..Hα-helixtrans-65-54.8170.2174.40000110.8L31 A32 R33 L37 N38 K101 P105L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.84Å; A32-V35 WeakPolarHBondContact O-CB 3.37Å; A32-V35 PolarHBondContact O-N 3.22Å; R33-V35 VanDerWaalsContact C-N 3.29Å; R33-V35 PolarHBondContact O-N 2.92Å; V35-L37 PolarHBondContact O-N 3.27Å; V35-N38 PolarHBondContact O-N 3.08Å; V35-K101 HydrophobicContact CG1-CD 4.32Å; V35-K101 HydrophobicContact CG1-CG 4.39Å; V35-P105 HydrophobicContact CG1-CB 3.69Å; V35-P105 HydrophobicContact CG2-CB 4.43Å
36F98.8Very high98.4Very high0 Ų056.3 Ų56.30%027%0.268CS..Hα-helixtrans-61.7-30.7-177.7-70.1-50.7000113.6A32 R33 N38 E39 L98 K101 L110 L146 M150 R182A32-F36 HydrophobicContact CB-CD2 4.4Å; A32-F36 HydrophobicContact CB-CE2 4.14Å; A32-F36 WeakPolarHBondContact O-CD2 3.26Å; A32-F36 WeakPolarHBondContact O-CG 3.39Å; A32-F36 PolarHBondContact O-N 3.26Å; R33-F36 PolarHBondContact O-N 2.9Å; F36-N38 PolarHBondContact O-N 2.65Å; F36-E39 VanDerWaalsContact CD1-OE2 3.32Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.4Å; F36-E39 PolarHBondContact O-N 3Å; F36-E39 VanDerWaalsContact O-N 3.16Å; F36-L98 HydrophobicContact CE2-CD2 3.93Å; F36-L98 HydrophobicContact CZ-CD2 4.19Å; F36-K101 HydrophobicContact CE1-CD 4.34Å; F36-K101 HydrophobicContact CE1-CG 4.14Å; F36-K101 HydrophobicContact CZ-CG 4.06Å; F36-L110 HydrophobicContact CE1-CB 4.14Å; F36-L110 HydrophobicContact CZ-CB 4.06Å; F36-L110 HydrophobicContact CZ-CD1 4.11Å; F36-L146 HydrophobicContact CD2-CD1 3.77Å; F36-L146 HydrophobicContact CD2-CG 4.48Å; F36-L146 HydrophobicContact CE2-CD1 4.04Å; F36-L146 HydrophobicContact CE2-CG 4.37Å; F36-M150 HydrophobicContact CD2-CG 4.28Å; F36-M150 HydrophobicContact CE1-CG 4.22Å; F36-M150 HydrophobicContact CE2-CE 4.04Å; F36-M150 HydrophobicContact CE2-CG 3.94Å; F36-M150 HydrophobicContact CZ-CE 4.01Å; F36-M150 HydrophobicContact CZ-CG 3.9Å; F36-R182 PolarHBondContact O-NH2 2.86Å
37L98Very high98.5Very high89 Ų8953.2 Ų53.247%0.46626%0.26SS..Hα-helixtrans-61.7-27.8175.8-175.963000112.5R33 V35 Y149 F183R33-L37 WeakPolarHBondContact O-CB 3.27Å; R33-L37 PolarHBondContact O-N 2.87Å; V35-L37 PolarHBondContact O-N 3.27Å; L37-Y149 HydrophobicContact CB-CD1 4.37Å; L37-Y149 HydrophobicContact CD1-CD1 4.14Å; L37-Y149 HydrophobicContact CD1-CE1 4.04Å; L37-F183 HydrophobicContact CD1-CE1 4.21Å; L37-F183 HydrophobicContact CD1-CZ 4.2Å
38N96.8Very high98.5Very high143 Ų14356.3 Ų56.377%0.76528%0.279SS*.THydrogen-bonded Turntrans-89.90.6179.3-69.2-62.9000113.6D34 V35 F36D34-N38 PolarHBondContact O-ND2 3.05Å; V35-N38 PolarHBondContact O-N 3.08Å; F36-N38 PolarHBondContact O-N 2.65Å
39E98.3Very high98.5Very high28 Ų2856.5 Ų56.513%0.13128%0.28CS..SBendtrans-93.1153.5179.2-62.2-172144.600112.2F36 V43 K101 P151 R182F36-E39 VanDerWaalsContact CD1-OE2 3.32Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.4Å; F36-E39 PolarHBondContact O-N 3Å; F36-E39 VanDerWaalsContact O-N 3.16Å; E39-V43 HydrophobicContact CB-CG2 4.45Å; E39-K101 WeakPolarHBondContact OE1-CE 3.35Å; E39-K101 IonicContact OE1-NZ 3.87Å; E39-K101 PolarHBondContact OE1-NZ 2.82Å; E39-K101 IonicContact OE2-NZ 2.65Å; E39-P151 HydrophobicContact CB-CG 3.98Å; E39-P151 WeakPolarHBondContact OE2-CG 3.27Å; E39-R182 VanDerWaalsContact O-CZ 3.28Å; E39-R182 PolarHBondContact O-NH1 2.77Å; E39-R182 PolarHBondContact O-NH2 3.43Å
40E97.9Very high98.5Very high91 Ų9156 Ų5643%0.42528%0.277SS..  trans-72.9161170.4-67.7-173.316700110.7V42 K44 R182E40-V42 VanDerWaalsContact C-N 3.25Å; E40-V42 WeakPolarHBondContact CB-O 3.13Å; E40-V42 PolarHBondContact O-N 2.64Å; E40-K44 IonicContact OE1-NZ 3.53Å; E40-K44 WeakPolarHBondContact OE2-CE 3.31Å; E40-K44 IonicContact OE2-NZ 2.7Å; E40-K44 PolarHBondContact OE2-NZ 3.5Å; E40-R182 PolarHBondContact O-NH1 3.36Å
41T98.6Very high98.5Very high11 Ų1149.9 Ų49.97%0.06725%0.251CS..SBendtrans-67-34.6177.5-65.80000110.9I152 A153 R182T41-I152 HydrophobicContact CG2-CB 4.17Å; T41-I152 HydrophobicContact CG2-CD1 3.64Å; T41-I152 HydrophobicContact CG2-CG1 3.93Å; T41-I152 PolarHBondContact O-N 3.12Å; T41-A153 PolarHBondContact O-N 2.89Å; T41-R182 VanDerWaalsContact CA-NH1 3.25Å; T41-R182 HydrophobicContact CG2-CB 4.17Å; T41-R182 WeakPolarHBondContact OG1-CD 3.21Å; T41-R182 PolarHBondContact OG1-NH1 2.79Å
42V98.8Very high98.5Very high2 Ų246.9 Ų46.91%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-113.5108.2166.2-171.60000108.9E40 A153 V155 I174 M177 N178E40-V42 VanDerWaalsContact C-N 3.25Å; E40-V42 WeakPolarHBondContact CB-O 3.13Å; E40-V42 PolarHBondContact O-N 2.64Å; V42-A153 CarbonylContact C-O 3.41Å; V42-A153 VanDerWaalsContact CA-O 3.29Å; V42-A153 WeakPolarHBondContact CA-O 3.45Å; V42-A153 HydrophobicContact CG1-CB 4.03Å; V42-A153 HydrophobicContact CG2-CB 4.2Å; V42-V155 HydrophobicContact CG1-CG2 3.87Å; V42-I174 HydrophobicContact CB-CG2 4.34Å; V42-I174 HydrophobicContact CG1-CG2 3.88Å; V42-I174 HydrophobicContact CG2-CG2 4.36Å; V42-M177 HydrophobicContact CG2-CB 3.76Å; V42-N178 WeakPolarHBondContact CB-OD1 3.46Å; V42-N178 PolarHBondContact N-OD1 3.27Å
43V98.6Very high98.5Very high14 Ų1446.9 Ų46.99%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-77.8137.7-176.4-166.10000111.1E39 L45 F109 P151 A153 A154 V155E39-V43 HydrophobicContact CB-CG2 4.45Å; V43-L45 HydrophobicContact CB-CD2 4.26Å; V43-L45 HydrophobicContact CG1-CD2 3.55Å; V43-L45 HydrophobicContact CG1-CG 4.32Å; V43-F109 HydrophobicContact CG1-CD1 3.95Å; V43-F109 HydrophobicContact CG1-CE1 4.06Å; V43-P151 HydrophobicContact CG2-CB 3.52Å; V43-P151 HydrophobicContact CG2-CG 3.52Å; V43-A153 PolarHBondContact N-O 2.91Å; V43-A154 HydrophobicContact CB-CB 4.34Å; V43-A154 CarbonylContact O-C 3.33Å; V43-A154 WeakPolarHBondContact O-CA 3.36Å; V43-A154 WeakPolarHBondContact O-CB 3.48Å; V43-V155 PolarHBondContact O-N 2.85Å
44K98.5Very high98.5Very high145 Ų14542.5 Ų42.563%0.6322%0.218SC*.EExtended strand (participates in β ladder)trans-95.9119.4175.6-63.3170.8-168.8150.80110.3E40E40-K44 IonicContact OE1-NZ 3.53Å; E40-K44 WeakPolarHBondContact OE2-CE 3.31Å; E40-K44 IonicContact OE2-NZ 2.7Å; E40-K44 PolarHBondContact OE2-NZ 3.5Å
45L98.6Very high98.5Very high5 Ų539.9 Ų39.93%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-120.7164.8-174.5-50.9-179.9000110.7V43 L49 V78 F109 A154 V155 V156 D157V43-L45 HydrophobicContact CB-CD2 4.26Å; V43-L45 HydrophobicContact CG1-CD2 3.55Å; V43-L45 HydrophobicContact CG1-CG 4.32Å; L45-L49 HydrophobicContact CB-CD2 3.78Å; L45-L49 HydrophobicContact CD1-CD2 4.06Å; L45-V78 HydrophobicContact CD1-CB 3.88Å; L45-V78 HydrophobicContact CD1-CG1 4.37Å; L45-V78 HydrophobicContact CD1-CG2 3.97Å; L45-F109 HydrophobicContact CD1-CB 4.29Å; L45-F109 HydrophobicContact CD1-CD2 4.19Å; L45-F109 HydrophobicContact CD1-CG 4.09Å; L45-F109 HydrophobicContact CD2-CD1 3.47Å; L45-F109 VanDerWaalsContact CD2-CD1 3.47Å; L45-F109 HydrophobicContact CD2-CD2 3.74Å; L45-F109 HydrophobicContact CD2-CE1 3.43Å; L45-F109 VanDerWaalsContact CD2-CE1 3.43Å; L45-F109 HydrophobicContact CD2-CE2 3.77Å; L45-F109 HydrophobicContact CD2-CG 3.63Å; L45-F109 HydrophobicContact CD2-CZ 3.59Å; L45-A154 HydrophobicContact CD1-CB 3.72Å; L45-A154 HydrophobicContact CG-CB 4.16Å; L45-V155 PolarHBondContact N-O 3.43Å; L45-V156 HydrophobicContact CB-CG2 4.26Å; L45-V156 HydrophobicContact CD1-CG2 4.49Å; L45-D157 PolarHBondContact O-N 2.99Å
46K98.3Very high98.5Very high149 Ų14938.5 Ų38.565%0.64820%0.196SC*.  trans-131.8144.2175.4-65.8-172.4178.3-177.10110.6R76 D157K46-R76 PolarHBondContact O-NH1 3.39Å; K46-D157 WeakPolarHBondContact CA-OD1 3.41Å
47S98.2Very high98.4Very high26 Ų2638.5 Ų38.518%0.18220%0.196CC..SBendtrans-65.8156.7167.155.30000111.4D157 V275 S277S47-D157 WeakPolarHBondContact CB-OD2 3.13Å; S47-D157 PolarHBondContact N-OD1 3.25Å; S47-D157 PolarHBondContact N-OD2 3.38Å; S47-D157 PolarHBondContact OG-OD1 3.03Å; S47-D157 PolarHBondContact OG-OD2 2.89Å; S47-V275 WeakPolarHBondContact CB-O 3.34Å; S47-S277 WeakPolarHBondContact OG-CA 3.46Å
48P98.4Very high98.4Very high93 Ų9334.4 Ų34.460%0.60417%0.174SC*.SBendcis-74.2138.8-1.431.6-35000112.7V275P48-V275 VanDerWaalsContact CA-O 3.28Å; P48-V275 WeakPolarHBondContact CA-O 3.42Å
49L98.7Very high98.5Very high4 Ų427.8 Ų27.82%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-156.4167.1170.66574.9000111.7L45 I51 R76 V78 V156 V275L45-L49 HydrophobicContact CB-CD2 3.78Å; L45-L49 HydrophobicContact CD1-CD2 4.06Å; L49-I51 HydrophobicContact CD1-CD1 4.48Å; L49-I51 HydrophobicContact CD1-CG1 3.66Å; L49-R76 CarbonylContact C-O 3.47Å; L49-R76 VanDerWaalsContact CA-O 3.28Å; L49-R76 WeakPolarHBondContact CA-O 3.46Å; L49-R76 HydrophobicContact CB-CB 3.98Å; L49-R76 HydrophobicContact CB-CG 3.87Å; L49-V78 HydrophobicContact CD1-CG1 3.88Å; L49-V156 HydrophobicContact CD1-CG1 4.38Å; L49-V156 HydrophobicContact CD1-CG2 4.22Å; L49-V156 HydrophobicContact CD2-CB 4.46Å; L49-V156 HydrophobicContact CD2-CG1 3.72Å; L49-V156 HydrophobicContact CD2-CG2 3.91Å; L49-V156 HydrophobicContact CG-CG1 4.05Å; L49-V275 PolarHBondContact N-O 3.05Å; L49-V275 PolarHBondContact O-N 3.18Å
50T98.9Very high98.5Very high4 Ų428.7 Ų28.73%0.02514%0.142CC..EExtended strand (participates in β ladder)trans-116.3126.1178.2-55.10000110.1R76 Y77 V78 I272 E274T50-R76 PolarHBondContact N-O 2.56Å; T50-Y77 HydrophobicContact CG2-CD1 3.93Å; T50-Y77 HydrophobicContact CG2-CE1 3.73Å; T50-Y77 CarbonylContact O-C 3.03Å; T50-Y77 VanDerWaalsContact O-CA 3.3Å; T50-Y77 WeakPolarHBondContact O-CA 3.34Å; T50-V78 PolarHBondContact O-N 3.21Å; T50-I272 HydrophobicContact CG2-CB 3.61Å; T50-I272 HydrophobicContact CG2-CD1 4.08Å; T50-I272 HydrophobicContact CG2-CG1 4.23Å; T50-I272 HydrophobicContact CG2-CG2 4.14Å; T50-E274 HydrophobicContact CG2-CG 4.03Å
51I98.9Very high98.5Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-92.2129.2175.7-53.3177.2000108.7L49 V78 L80 C235 F273 V275L49-I51 HydrophobicContact CD1-CD1 4.48Å; L49-I51 HydrophobicContact CD1-CG1 3.66Å; I51-V78 CarbonylContact C-O 3.59Å; I51-V78 WeakPolarHBondContact CA-O 3.29Å; I51-V78 HydrophobicContact CB-CG1 4.11Å; I51-V78 HydrophobicContact CG1-CG1 3.66Å; I51-V78 HydrophobicContact CG2-CG1 4.23Å; I51-L80 HydrophobicContact CG2-CD1 3.7Å; I51-L80 HydrophobicContact CG2-CD2 3.86Å; I51-L80 HydrophobicContact CG2-CG 3.8Å; I51-C235 HydrophobicContact CD1-CB 3.88Å; I51-C235 HydrophobicContact CG2-CB 4.49Å; I51-F273 HydrophobicContact CB-CB 4.21Å; I51-F273 HydrophobicContact CB-CD1 4.45Å; I51-F273 HydrophobicContact CD1-CD1 4Å; I51-F273 HydrophobicContact CG1-CD1 4.46Å; I51-F273 PolarHBondContact N-O 2.96Å; I51-F273 PolarHBondContact O-N 2.85Å; I51-V275 HydrophobicContact CD1-CG2 3.97Å; I51-V275 HydrophobicContact CG1-CG2 4.37Å
52C98.9Very high98.5Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-123.2133.9-178.7-56.60000110.6L65 V78 F79 L80C52-L65 HydrophobicContact CB-CD1 4.17Å; C52-V78 PolarHBondContact N-O 3.32Å; C52-F79 HydrophobicContact CB-CB 4.49Å; C52-F79 HydrophobicContact CB-CD1 3.42Å; C52-F79 VanDerWaalsContact CB-CD1 3.42Å; C52-F79 HydrophobicContact CB-CD2 4.46Å; C52-F79 HydrophobicContact CB-CE1 3.58Å; C52-F79 HydrophobicContact CB-CG 3.89Å; C52-F79 HydrophobicContact CB-CZ 4.17Å; C52-F79 CarbonylContact O-C 3.51Å; C52-F79 WeakPolarHBondContact O-CA 3.34Å; C52-L80 WeakPolarHBondContact O-CB 3.46Å; C52-L80 VanDerWaalsContact O-CG 3.31Å; C52-L80 WeakPolarHBondContact O-CG 3.13Å; C52-L80 PolarHBondContact O-N 2.78Å
53G98.8Very high98.5Very high0 Ų025 Ų250%012%0.124CC..  trans-83.1-151.2174.700000113.5V256 S258G53-V256 WeakPolarHBondContact CA-O 3.45Å; G53-S258 PolarHBondContact N-OG 2.91Å
54D98.8Very high98.4Very high1 Ų127.2 Ų27.21%0.00513%0.133CC..  trans-56.8144.1-178.9-51.8-116.2000112.6H56 D82 H164 A237 H238 W257 S258 A259D54-H56 IonicContact OD1-NE2 3.55Å; D54-D82 HydrophobicContact CB-CB 4.25Å; D54-D82 WeakPolarHBondContact OD1-CB 3.32Å; D54-H164 IonicContact OD1-CE1 3.62Å; D54-H164 PolarHBondContact OD1-CE1 2.85Å; D54-A237 VanDerWaalsContact OD2-CB 3.24Å; D54-A237 WeakPolarHBondContact OD2-CB 3.34Å; D54-H238 PolarHBondContact OD2-N 2.89Å; D54-W257 HydrophobicContact CB-CD2 4.32Å; D54-W257 HydrophobicContact CB-CE3 4Å; D54-W257 HydrophobicContact CB-CH2 3.86Å; D54-W257 HydrophobicContact CB-CZ2 4.17Å; D54-W257 HydrophobicContact CB-CZ3 3.77Å; D54-W257 WeakPolarHBondContact OD1-CZ3 3.1Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.42Å; D54-S258 CarbonylContact O-C 3.57Å; D54-S258 WeakPolarHBondContact O-CA 3.25Å; D54-S258 WeakPolarHBondContact O-CB 3.47Å; D54-S258 PolarHBondContact O-N 2.7Å; D54-A259 WeakPolarHBondContact O-CB 3.48Å; D54-A259 PolarHBondContact O-N 3.41Å; D54-A259 VanDerWaalsContact O-N 3.09Å
55I98.8Very high98.4Very high1 Ų120.3 Ų20.31%0.00510%0.103CC..  trans-122.6-35.4178.1-52.3-64.1000112G57 Q58 L62 L65 F79 D82 T93I55-G57 PolarHBondContact O-N 3.29Å; I55-Q58 VanDerWaalsContact O-CB 3.27Å; I55-Q58 WeakPolarHBondContact O-CB 3.28Å; I55-Q58 PolarHBondContact O-N 2.88Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; I55-L62 HydrophobicContact CD1-CD1 4.25Å; I55-L62 HydrophobicContact CG2-CB 4.03Å; I55-L65 HydrophobicContact CD1-CD1 4.01Å; I55-F79 HydrophobicContact CD1-CD1 4.16Å; I55-F79 HydrophobicContact CD1-CE1 3.93Å; I55-F79 HydrophobicContact CG1-CD1 4.03Å; I55-F79 HydrophobicContact CG1-CE1 4.14Å; I55-D82 PolarHBondContact N-O 3.38Å; I55-T93 HydrophobicContact CB-CG2 4.23Å; I55-T93 HydrophobicContact CG2-CG2 3.44Å; I55-T93 VanDerWaalsContact CG2-CG2 3.44Å
56H98.4Very high98.4Very high3 Ų320.1 Ų20.11%0.01410%0.102CC..THydrogen-bonded Turntrans48.853.1170.2-81.3-49.6000115.2D54 Q58 D82 V84 D85 R86 G87 H115 Y262D54-H56 IonicContact OD1-NE2 3.55Å; H56-Q58 PolarHBondContact O-N 2.95Å; H56-D82 IonicContact CE1-OD2 2.76Å; H56-D82 PolarHBondContact N-O 3.44Å; H56-D82 IonicContact NE2-OD2 2.66Å; H56-V84 PolarHBondContact ND1-O 3.45Å; H56-D85 CarbonylContact C-O 3.42Å; H56-D85 VanDerWaalsContact CA-O 3.32Å; H56-D85 WeakPolarHBondContact CA-O 3.42Å; H56-D85 WeakPolarHBondContact CB-O 3.39Å; H56-R86 HydrophobicContact CB-CB 4.12Å; H56-R86 HydrophobicContact CB-CG 4.46Å; H56-G87 WeakPolarHBondContact O-CA 3.35Å; H56-G87 PolarHBondContact O-N 3.34Å; H56-H115 AromaticContact CE1-CD2 3.61Å; H56-H115 AromaticContact CE1-CE1 3.95Å; H56-H115 AromaticContact CE1-CG 3.83Å; H56-H115 AromaticContact CE1-NE2 3.7Å; H56-Y262 HydrophobicContact CB-CD2 4.47Å; H56-Y262 HydrophobicContact CB-CE2 3.81Å; H56-Y262 AromaticContact CD2-CE2 3.19Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.48Å; H56-Y262 AromaticContact CD2-CZ 3.58Å; H56-Y262 PolarHBondContact CD2-OH 3.14Å; H56-Y262 AromaticContact CG-CE2 3.69Å; H56-Y262 AromaticContact NE2-CE2 3.92Å; H56-Y262 AromaticContact NE2-CZ 3.81Å; H56-Y262 PolarHBondContact NE2-OH 3.24Å; H56-Y262 VanDerWaalsContact NE2-OH 3.11Å
57G98.2Very high98.3Very high0 Ų019.2 Ų19.20%010%0.098CC..THydrogen-bonded Turntrans62.817.9175.700000115.1I55 Y59 Y83 H89 T93I55-G57 PolarHBondContact O-N 3.29Å; G57-Y59 VanDerWaalsContact C-N 3.32Å; G57-Y59 PolarHBondContact O-N 2.92Å; G57-Y83 PolarHBondContact N-O 2.97Å; G57-H89 CarbonylContact O-C 3.43Å; G57-H89 WeakPolarHBondContact O-CA 3.28Å; G57-H89 WeakPolarHBondContact O-CB 3.46Å; G57-H89 PolarHBondContact O-N 2.75Å; G57-T93 VanDerWaalsContact C-OG1 3.31Å; G57-T93 WeakPolarHBondContact CA-OG1 3.43Å
58Q98.1Very high98.3Very high2 Ų221.2 Ų21.21%0.00911%0.107CC..  trans-89.964.1178.1-67.8-172.2-127.200111.3I55 H56 F60 D61 L62 P260 Y264I55-Q58 VanDerWaalsContact O-CB 3.27Å; I55-Q58 WeakPolarHBondContact O-CB 3.28Å; I55-Q58 PolarHBondContact O-N 2.88Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; H56-Q58 PolarHBondContact O-N 2.95Å; Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 2.84Å; Q58-D61 HydrophobicContact CB-CB 4.11Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.48Å; Q58-D61 PolarHBondContact NE2-OD2 2.77Å; Q58-D61 PolarHBondContact O-N 2.8Å; Q58-L62 PolarHBondContact O-N 2.77Å; Q58-P260 PolarHBondContact NE2-O 2.91Å; Q58-Y264 HydrophobicContact CG-CE1 4.22Å
59Y98.3Very high98.3Very high5 Ų517.2 Ų17.22%0.028%0.083CC..Hα-helixtrans-49.7-45-173.8172.2-97.4000114.5A14 S15 G17 G57 D61 L62 E63 Q92 T93 R96A14-Y59 VanDerWaalsContact O-CE2 3.32Å; A14-Y59 WeakPolarHBondContact O-CE2 3.42Å; A14-Y59 PolarHBondContact O-OH 3.35Å; S15-Y59 PolarHBondContact O-OH 2.87Å; G17-Y59 WeakPolarHBondContact CA-OH 3.49Å; G17-Y59 VanDerWaalsContact N-CZ 3.29Å; G17-Y59 PolarHBondContact N-OH 3.44Å; G57-Y59 VanDerWaalsContact C-N 3.32Å; G57-Y59 PolarHBondContact O-N 2.92Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 2.9Å; Y59-L62 WeakPolarHBondContact O-CB 3.16Å; Y59-L62 PolarHBondContact O-N 3.09Å; Y59-E63 HydrophobicContact CE1-CG 4.02Å; Y59-E63 HydrophobicContact CE2-CG 4.14Å; Y59-E63 WeakPolarHBondContact CE2-OE1 3.04Å; Y59-E63 PolarHBondContact O-N 2.64Å; Y59-E63 VanDerWaalsContact O-N 3.13Å; Y59-E63 PolarHBondContact OH-OE1 2.78Å; Y59-Q92 HydrophobicContact CD2-CB 3.72Å; Y59-Q92 HydrophobicContact CE2-CB 4.44Å; Y59-Q92 HydrophobicContact CG-CB 3.82Å; Y59-T93 WeakPolarHBondContact CA-OG1 3.42Å; Y59-T93 PolarHBondContact N-OG1 3.42Å; Y59-R96 HydrophobicContact CD2-CB 4.38Å; Y59-R96 HydrophobicContact CE2-CB 4Å; Y59-R96 HydrophobicContact CE2-CG 4.13Å
60F97.9Very high98.3Very high47 Ų4718.1 Ų18.121%0.2069%0.093CC..Hα-helixtrans-68.5-33.5-178.5-62.4-64.9000112.5Q58 L62 E63 E64 H89 A289 R291Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 2.84Å; F60-L62 VanDerWaalsContact C-N 3.35Å; F60-E63 PolarHBondContact O-N 3.49Å; F60-E64 PolarHBondContact O-N 3.03Å; F60-E64 VanDerWaalsContact O-N 3.16Å; F60-H89 AromaticContact CE2-NE2 3.7Å; F60-A289 HydrophobicContact CB-CB 3.86Å; F60-R291 HydrophobicContact CB-CB 4.38Å; F60-R291 HydrophobicContact CD1-CB 4.09Å; F60-R291 HydrophobicContact CD2-CB 4.15Å; F60-R291 HydrophobicContact CE1-CB 4.44Å; F60-R291 HydrophobicContact CE2-CB 4.49Å; F60-R291 HydrophobicContact CG-CB 3.94Å
61D98.1Very high98.2Very high1 Ų121 Ų211%0.00511%0.106CC..Hα-helixtrans-73.6-30.9176.6-52.8-48.2000110.7Q58 Y59 E63 E64 L65 P260 P288 A289 S292Q58-D61 HydrophobicContact CB-CB 4.11Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.48Å; Q58-D61 PolarHBondContact NE2-OD2 2.77Å; Q58-D61 PolarHBondContact O-N 2.8Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 2.9Å; D61-E63 VanDerWaalsContact C-N 3.33Å; D61-E63 PolarHBondContact O-N 2.67Å; D61-E64 PolarHBondContact O-N 3.03Å; D61-L65 PolarHBondContact O-N 2.82Å; D61-P260 HydrophobicContact CB-CG 3.73Å; D61-P288 WeakPolarHBondContact OD1-CA 3.36Å; D61-A289 WeakPolarHBondContact OD1-CB 3.49Å; D61-A289 PolarHBondContact OD1-N 3.22Å; D61-S292 WeakPolarHBondContact OD1-CB 3.19Å; D61-S292 PolarHBondContact OD1-OG 3.39Å
62L98.6Very high98.2Very high1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-61.7-37.6168.4174.665000112.4I55 Q58 Y59 F60 L65 F66 F79 T93 R96 L97I55-L62 HydrophobicContact CD1-CD1 4.25Å; I55-L62 HydrophobicContact CG2-CB 4.03Å; Q58-L62 PolarHBondContact O-N 2.77Å; Y59-L62 WeakPolarHBondContact O-CB 3.16Å; Y59-L62 PolarHBondContact O-N 3.09Å; F60-L62 VanDerWaalsContact C-N 3.35Å; L62-L65 HydrophobicContact CD1-CD2 4.44Å; L62-L65 VanDerWaalsContact O-CB 3.31Å; L62-L65 WeakPolarHBondContact O-CB 3.11Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-F66 HydrophobicContact CD1-CD2 4.29Å; L62-F66 HydrophobicContact CD1-CE2 3.7Å; L62-F66 HydrophobicContact CD1-CZ 3.92Å; L62-F66 HydrophobicContact CD2-CE2 4.18Å; L62-F66 HydrophobicContact CG-CD2 4.21Å; L62-F66 HydrophobicContact CG-CE2 3.74Å; L62-F66 HydrophobicContact CG-CZ 4.44Å; L62-F66 WeakPolarHBondContact O-CD2 3.46Å; L62-F66 PolarHBondContact O-N 2.8Å; L62-F66 VanDerWaalsContact O-N 3.1Å; L62-F79 HydrophobicContact CD1-CE1 3.71Å; L62-F79 HydrophobicContact CD1-CZ 3.89Å; L62-T93 HydrophobicContact CD2-CG2 4Å; L62-R96 HydrophobicContact CD2-CB 4.29Å; L62-R96 HydrophobicContact CD2-CG 4.03Å; L62-L97 HydrophobicContact CD1-CD2 4.16Å; L62-L97 HydrophobicContact CD2-CD1 4.49Å; L62-L97 HydrophobicContact CD2-CD2 4.05Å; L62-L97 HydrophobicContact CD2-CG 4Å
63E98Very high98.1Very high23 Ų2324.3 Ų24.311%0.10713%0.127CC..Hα-helixtrans-72.1-32175-62.9-59.2140.100111.9Y59 F60 D61 L65 F66 K67 R96Y59-E63 HydrophobicContact CE1-CG 4.02Å; Y59-E63 HydrophobicContact CE2-CG 4.14Å; Y59-E63 WeakPolarHBondContact CE2-OE1 3.04Å; Y59-E63 PolarHBondContact O-N 2.64Å; Y59-E63 VanDerWaalsContact O-N 3.13Å; Y59-E63 PolarHBondContact OH-OE1 2.78Å; F60-E63 PolarHBondContact O-N 3.49Å; D61-E63 VanDerWaalsContact C-N 3.33Å; D61-E63 PolarHBondContact O-N 2.67Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-F66 PolarHBondContact O-N 2.77Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.77Å; E63-R96 WeakPolarHBondContact OE1-CD 3.46Å; E63-R96 WeakPolarHBondContact OE1-CG 3.33Å; E63-R96 IonicContact OE1-CZ 3.36Å; E63-R96 IonicContact OE1-NE 3.83Å; E63-R96 PolarHBondContact OE1-NE 3.04Å; E63-R96 IonicContact OE1-NH2 2.65Å; E63-R96 IonicContact OE2-CZ 3.78Å; E63-R96 IonicContact OE2-NE 3.93Å; E63-R96 IonicContact OE2-NH2 2.62Å; E63-R96 PolarHBondContact OE2-NH2 3.29Å
64E97.3Very high98Very high62 Ų6233.8 Ų33.829%0.2916%0.163SC..Hα-helixtrans-65-38169.7-64-53.9138.900111.9F60 D61 F66 K67 L68 F286 A289F60-E64 PolarHBondContact O-N 3.03Å; F60-E64 VanDerWaalsContact O-N 3.16Å; D61-E64 PolarHBondContact O-N 3.03Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-F66 PolarHBondContact O-N 2.9Å; E64-K67 PolarHBondContact O-N 2.99Å; E64-K67 IonicContact OE1-NZ 3.55Å; E64-K67 PolarHBondContact OE1-NZ 2.66Å; E64-K67 WeakPolarHBondContact OE2-CD 3.36Å; E64-K67 IonicContact OE2-NZ 3.36Å; E64-L68 PolarHBondContact O-N 3.2Å; E64-F286 HydrophobicContact CB-CD2 4.31Å; E64-A289 HydrophobicContact CG-CB 3.56Å
65L98.4Very high98Very high0 Ų035.1 Ų35.10%017%0.171CC..Hα-helixtrans-55.9-47.8171.8178.8156.9000111.4C52 I55 D61 L62 E63 K67 L68 G69 Y77 F79 I272 F286C52-L65 HydrophobicContact CB-CD1 4.17Å; I55-L65 HydrophobicContact CD1-CD1 4.01Å; D61-L65 PolarHBondContact O-N 2.82Å; L62-L65 HydrophobicContact CD1-CD2 4.44Å; L62-L65 VanDerWaalsContact O-CB 3.31Å; L62-L65 WeakPolarHBondContact O-CB 3.11Å; L62-L65 PolarHBondContact O-N 3.41Å; E63-L65 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 2.9Å; L65-L68 PolarHBondContact O-N 2.88Å; L65-G69 PolarHBondContact O-N 2.91Å; L65-Y77 HydrophobicContact CD2-CD1 4.46Å; L65-Y77 HydrophobicContact CD2-CE1 3.93Å; L65-F79 HydrophobicContact CD1-CE1 4.27Å; L65-F79 HydrophobicContact CD2-CE1 4.42Å; L65-F79 HydrophobicContact CD2-CZ 4.09Å; L65-I272 HydrophobicContact CD1-CG2 3.69Å; L65-I272 HydrophobicContact CD2-CG2 4.1Å; L65-I272 HydrophobicContact CG-CG2 3.45Å; L65-I272 VanDerWaalsContact CG-CG2 3.45Å; L65-F286 HydrophobicContact CB-CE1 4.37Å; L65-F286 HydrophobicContact CB-CE2 4.3Å; L65-F286 HydrophobicContact CB-CZ 3.81Å; L65-F286 HydrophobicContact CD1-CZ 4.21Å; L65-F286 HydrophobicContact CG-CZ 4.32Å
66F98.5Very high98Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-68.3-32.1178.2-71.4-47.9000113.4L62 E63 E64 L68 G70 V72 Y77 F79 R96 L97 L100L62-F66 HydrophobicContact CD1-CD2 4.29Å; L62-F66 HydrophobicContact CD1-CE2 3.7Å; L62-F66 HydrophobicContact CD1-CZ 3.92Å; L62-F66 HydrophobicContact CD2-CE2 4.18Å; L62-F66 HydrophobicContact CG-CD2 4.21Å; L62-F66 HydrophobicContact CG-CE2 3.74Å; L62-F66 HydrophobicContact CG-CZ 4.44Å; L62-F66 WeakPolarHBondContact O-CD2 3.46Å; L62-F66 PolarHBondContact O-N 2.8Å; L62-F66 VanDerWaalsContact O-N 3.1Å; E63-F66 PolarHBondContact O-N 2.77Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-F66 PolarHBondContact O-N 2.9Å; F66-L68 VanDerWaalsContact C-N 3.34Å; F66-G70 CarbonylContact O-C 3.57Å; F66-G70 WeakPolarHBondContact O-CA 3.39Å; F66-G70 PolarHBondContact O-N 2.94Å; F66-V72 HydrophobicContact CE1-CG2 4.37Å; F66-Y77 HydrophobicContact CD1-CE1 4.39Å; F66-Y77 AromaticContact CD1-CE2 3.95Å; F66-Y77 HydrophobicContact CD1-CE2 3.95Å; F66-Y77 AromaticContact CD1-CZ 3.86Å; F66-Y77 HydrophobicContact CE1-CD2 4.18Å; F66-Y77 HydrophobicContact CE1-CE1 4.47Å; F66-Y77 HydrophobicContact CE1-CE2 4.03Å; F66-Y77 HydrophobicContact CE1-CG 4.45Å; F66-F79 HydrophobicContact CE1-CE2 4.29Å; F66-F79 AromaticContact CE1-CZ 3.93Å; F66-F79 HydrophobicContact CE1-CZ 3.93Å; F66-F79 HydrophobicContact CZ-CE2 4.34Å; F66-F79 AromaticContact CZ-CZ 3.89Å; F66-F79 HydrophobicContact CZ-CZ 3.89Å; F66-R96 HydrophobicContact CE2-CG 4.31Å; F66-L97 HydrophobicContact CZ-CD2 4.09Å; F66-L100 HydrophobicContact CE1-CD1 4.42Å; F66-L100 HydrophobicContact CE2-CD1 3.92Å; F66-L100 HydrophobicContact CZ-CD1 3.69Å
67K97.2Very high98Very high130 Ų13037 Ų3757%0.56518%0.178SC*.Hα-helixtrans-65.2-38.7172.2-70.5170.4-166.5171.20111.9E63 E64 L65E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.77Å; E64-K67 PolarHBondContact O-N 2.99Å; E64-K67 IonicContact OE1-NZ 3.55Å; E64-K67 PolarHBondContact OE1-NZ 2.66Å; E64-K67 WeakPolarHBondContact OE2-CD 3.36Å; E64-K67 IonicContact OE2-NZ 3.36Å; L65-K67 PolarHBondContact O-N 2.9Å
68L98Very high98.1Very high68 Ų6837 Ų3736%0.35618%0.178SC..Hα-helixtrans-73.4-50.8179.9-178.267.3000112.2E64 L65 F66 I272 K284 F286E64-L68 PolarHBondContact O-N 3.2Å; L65-L68 PolarHBondContact O-N 2.88Å; F66-L68 VanDerWaalsContact C-N 3.34Å; L68-I272 HydrophobicContact CB-CD1 4.26Å; L68-I272 HydrophobicContact CD2-CD1 3.85Å; L68-I272 HydrophobicContact CD2-CG1 3.96Å; L68-I272 HydrophobicContact CG-CD1 3.83Å; L68-I272 HydrophobicContact CG-CG1 4.47Å; L68-K284 HydrophobicContact CD2-CB 3.97Å; L68-K284 HydrophobicContact CG-CB 4.45Å; L68-F286 HydrophobicContact CD2-CB 4.05Å; L68-F286 HydrophobicContact CD2-CD1 3.74Å; L68-F286 HydrophobicContact CD2-CG 4.2Å
69G98Very high98.1Very high10 Ų1036.9 Ų36.910%0.10318%0.178CC..Hα-helixtrans-83.2-18.5-176.700000114.4L65 T75 Y77 I272L65-G69 PolarHBondContact O-N 2.91Å; G69-T75 WeakPolarHBondContact O-CG2 3.37Å; G69-T75 PolarHBondContact O-OG1 2.76Å; G69-Y77 VanDerWaalsContact CA-OH 3.31Å; G69-Y77 WeakPolarHBondContact CA-OH 3.42Å; G69-Y77 PolarHBondContact O-OH 2.8Å; G69-I272 VanDerWaalsContact CA-CD1 3.41Å
70G98.1Very high98.2Very high23 Ų2336.7 Ų36.724%0.23718%0.177CC..  trans100.2151.5-178.400000114.2F66 T75 Y77F66-G70 CarbonylContact O-C 3.57Å; F66-G70 WeakPolarHBondContact O-CA 3.39Å; F66-G70 PolarHBondContact O-N 2.94Å; G70-T75 WeakPolarHBondContact O-CB 3.3Å; G70-Y77 PolarHBondContact N-OH 2.99Å; G70-Y77 VanDerWaalsContact O-CE2 3.29Å; G70-Y77 WeakPolarHBondContact O-CE2 3.39Å; G70-Y77 PolarHBondContact O-OH 3.42Å
71E97Very high98.2Very high64 Ų6434.4 Ų34.430%0.29917%0.167SC..  trans-72.7142.5-173.4-63.7-68.716200113.7R74 T75 R96E71-R74 WeakPolarHBondContact O-CA 3.49Å; E71-R74 WeakPolarHBondContact O-CB 3.35Å; E71-R74 PolarHBondContact O-N 2.81Å; E71-T75 PolarHBondContact O-N 3.01Å; E71-T75 VanDerWaalsContact O-N 3.12Å; E71-R96 IonicContact OE2-NH2 2.58Å
72V98.1Very high98.2Very high12 Ų1234.5 Ų34.57%0.07317%0.167CC..THydrogen-bonded Turntrans-66.8136164.3-178.30000108.8F66 Y77 L100 Y104 Q107F66-V72 HydrophobicContact CE1-CG2 4.37Å; V72-Y77 HydrophobicContact CG2-CD2 3.66Å; V72-Y77 HydrophobicContact CG2-CE2 3.86Å; V72-L100 HydrophobicContact CB-CD2 4.05Å; V72-L100 HydrophobicContact CG1-CD2 4.22Å; V72-L100 HydrophobicContact CG2-CD1 4.32Å; V72-Y104 HydrophobicContact CG1-CD2 3.51Å; V72-Y104 HydrophobicContact CG1-CE2 4.25Å; V72-Y104 HydrophobicContact CG1-CG 3.89Å; V72-Q107 HydrophobicContact CG1-CB 4.06Å
73P97.6Very high98.2Very high57 Ų5734.4 Ų34.437%0.3717%0.167SC..THydrogen-bonded Turncis-97.213.49.638.5-37.1000115.1Y104 Q107P73-Y104 HydrophobicContact CB-CD1 3.68Å; P73-Y104 HydrophobicContact CB-CE1 3.89Å; P73-Y104 HydrophobicContact CB-CG 4.02Å; P73-Y104 HydrophobicContact CG-CD1 4.05Å; P73-Y104 HydrophobicContact CG-CE1 3.71Å; P73-Q107 HydrophobicContact CB-CB 4.43Å; P73-Q107 HydrophobicContact CB-CG 3.95Å
74R97.7Very high98.3Very high199 Ų19933.3 Ų33.375%0.75116%0.162SC*.THydrogen-bonded Turntrans-73.3-35.5179.4-67.2-172.8-65.7-88.31.1111.8E71E71-R74 WeakPolarHBondContact O-CA 3.49Å; E71-R74 WeakPolarHBondContact O-CB 3.35Å; E71-R74 PolarHBondContact O-N 2.81Å
75T98.5Very high98.3Very high29 Ų2930.4 Ų30.418%0.17815%0.148CC..SBendtrans-106.9137.9173.6-54.90000109.9G69 G70 E71 Y77G69-T75 WeakPolarHBondContact O-CG2 3.37Å; G69-T75 PolarHBondContact O-OG1 2.76Å; G70-T75 WeakPolarHBondContact O-CB 3.3Å; E71-T75 PolarHBondContact O-N 3.01Å; E71-T75 VanDerWaalsContact O-N 3.12Å; T75-Y77 HydrophobicContact CG2-CD2 4.16Å; T75-Y77 HydrophobicContact CG2-CE1 4.27Å; T75-Y77 HydrophobicContact CG2-CE2 3.52Å
76R98.7Very high98.3Very high44 Ų4434.9 Ų34.917%0.16617%0.165CC..  trans-94.5138.3175-177.9177.9179.4173.819.9110.3K46 L49 T50 Q107 F109K46-R76 PolarHBondContact O-NH1 3.39Å; L49-R76 CarbonylContact C-O 3.47Å; L49-R76 VanDerWaalsContact CA-O 3.28Å; L49-R76 WeakPolarHBondContact CA-O 3.46Å; L49-R76 HydrophobicContact CB-CB 3.98Å; L49-R76 HydrophobicContact CB-CG 3.87Å; T50-R76 PolarHBondContact N-O 2.56Å; R76-Q107 CarbonylContact C-O 3.53Å; R76-Q107 WeakPolarHBondContact CA-O 3.41Å; R76-F109 HydrophobicContact CG-CE2 4.17Å
77Y98.9Very high98.1Very high0 Ų035.3 Ų35.30%017%0.169CC..EExtended strand (participates in β ladder)trans-128.1144.8-177.6-69.1-89.5000112.9T50 L65 F66 G69 G70 V72 T75 F79 Q107 I108 F109T50-Y77 HydrophobicContact CG2-CD1 3.93Å; T50-Y77 HydrophobicContact CG2-CE1 3.73Å; T50-Y77 CarbonylContact O-C 3.03Å; T50-Y77 VanDerWaalsContact O-CA 3.3Å; T50-Y77 WeakPolarHBondContact O-CA 3.34Å; L65-Y77 HydrophobicContact CD2-CD1 4.46Å; L65-Y77 HydrophobicContact CD2-CE1 3.93Å; F66-Y77 HydrophobicContact CD1-CE1 4.39Å; F66-Y77 AromaticContact CD1-CE2 3.95Å; F66-Y77 HydrophobicContact CD1-CE2 3.95Å; F66-Y77 AromaticContact CD1-CZ 3.86Å; F66-Y77 HydrophobicContact CE1-CD2 4.18Å; F66-Y77 HydrophobicContact CE1-CE1 4.47Å; F66-Y77 HydrophobicContact CE1-CE2 4.03Å; F66-Y77 HydrophobicContact CE1-CG 4.45Å; G69-Y77 VanDerWaalsContact CA-OH 3.31Å; G69-Y77 WeakPolarHBondContact CA-OH 3.42Å; G69-Y77 PolarHBondContact O-OH 2.8Å; G70-Y77 PolarHBondContact N-OH 2.99Å; G70-Y77 VanDerWaalsContact O-CE2 3.29Å; G70-Y77 WeakPolarHBondContact O-CE2 3.39Å; G70-Y77 PolarHBondContact O-OH 3.42Å; V72-Y77 HydrophobicContact CG2-CD2 3.66Å; V72-Y77 HydrophobicContact CG2-CE2 3.86Å; T75-Y77 HydrophobicContact CG2-CD2 4.16Å; T75-Y77 HydrophobicContact CG2-CE1 4.27Å; T75-Y77 HydrophobicContact CG2-CE2 3.52Å; Y77-F79 HydrophobicContact CD1-CE2 4.26Å; Y77-F79 HydrophobicContact CD1-CZ 4.49Å; Y77-F79 HydrophobicContact CG-CE2 4.11Å; Y77-Q107 PolarHBondContact N-O 3.43Å; Y77-I108 CarbonylContact O-C 3.59Å; Y77-I108 WeakPolarHBondContact O-CA 3.14Å; Y77-F109 WeakPolarHBondContact O-CD2 3.48Å; Y77-F109 PolarHBondContact O-N 2.83Å
78V98.9Very high98Very high0 Ų035.2 Ų35.20%017%0.165CC..EExtended strand (participates in β ladder)trans-122.1121.6159.261.10000108.7L45 L49 T50 I51 C52 F109 L111 A154L45-V78 HydrophobicContact CD1-CB 3.88Å; L45-V78 HydrophobicContact CD1-CG1 4.37Å; L45-V78 HydrophobicContact CD1-CG2 3.97Å; L49-V78 HydrophobicContact CD1-CG1 3.88Å; T50-V78 PolarHBondContact O-N 3.21Å; I51-V78 CarbonylContact C-O 3.59Å; I51-V78 WeakPolarHBondContact CA-O 3.29Å; I51-V78 HydrophobicContact CB-CG1 4.11Å; I51-V78 HydrophobicContact CG1-CG1 3.66Å; I51-V78 HydrophobicContact CG2-CG1 4.23Å; C52-V78 PolarHBondContact N-O 3.32Å; V78-F109 CarbonylContact C-O 3.02Å; V78-F109 WeakPolarHBondContact CA-O 3.17Å; V78-F109 HydrophobicContact CB-CB 4.18Å; V78-F109 HydrophobicContact CG2-CB 4.05Å; V78-L111 HydrophobicContact CG2-CD1 4.06Å; V78-L111 HydrophobicContact CG2-CG 3.99Å; V78-A154 HydrophobicContact CG2-CB 4.32Å
79F99Very high98Very high0 Ų034.2 Ų34.20%016%0.159CC..EExtended strand (participates in β ladder)trans-98.8137.4173.2-68.7-105.7000109.9C52 I55 L62 L65 F66 Y77 Y83 L97 I108 F109 L110 L111C52-F79 HydrophobicContact CB-CB 4.49Å; C52-F79 HydrophobicContact CB-CD1 3.42Å; C52-F79 VanDerWaalsContact CB-CD1 3.42Å; C52-F79 HydrophobicContact CB-CD2 4.46Å; C52-F79 HydrophobicContact CB-CE1 3.58Å; C52-F79 HydrophobicContact CB-CG 3.89Å; C52-F79 HydrophobicContact CB-CZ 4.17Å; C52-F79 CarbonylContact O-C 3.51Å; C52-F79 WeakPolarHBondContact O-CA 3.34Å; I55-F79 HydrophobicContact CD1-CD1 4.16Å; I55-F79 HydrophobicContact CD1-CE1 3.93Å; I55-F79 HydrophobicContact CG1-CD1 4.03Å; I55-F79 HydrophobicContact CG1-CE1 4.14Å; L62-F79 HydrophobicContact CD1-CE1 3.71Å; L62-F79 HydrophobicContact CD1-CZ 3.89Å; L65-F79 HydrophobicContact CD1-CE1 4.27Å; L65-F79 HydrophobicContact CD2-CE1 4.42Å; L65-F79 HydrophobicContact CD2-CZ 4.09Å; F66-F79 HydrophobicContact CE1-CE2 4.29Å; F66-F79 AromaticContact CE1-CZ 3.93Å; F66-F79 HydrophobicContact CE1-CZ 3.93Å; F66-F79 HydrophobicContact CZ-CE2 4.34Å; F66-F79 AromaticContact CZ-CZ 3.89Å; F66-F79 HydrophobicContact CZ-CZ 3.89Å; Y77-F79 HydrophobicContact CD1-CE2 4.26Å; Y77-F79 HydrophobicContact CD1-CZ 4.49Å; Y77-F79 HydrophobicContact CG-CE2 4.11Å; F79-Y83 HydrophobicContact CB-CE1 3.57Å; F79-Y83 HydrophobicContact CD1-CE1 4.36Å; F79-Y83 HydrophobicContact CG-CE1 4.22Å; F79-Y83 PolarHBondContact O-OH 3.3Å; F79-L97 HydrophobicContact CD1-CD2 4.39Å; F79-L97 HydrophobicContact CD2-CD2 4.22Å; F79-L97 HydrophobicContact CE1-CD2 4.01Å; F79-L97 HydrophobicContact CE2-CD2 3.82Å; F79-L97 HydrophobicContact CG-CD2 4.5Å; F79-L97 HydrophobicContact CZ-CD2 3.71Å; F79-I108 HydrophobicContact CD2-CD1 4.32Å; F79-I108 HydrophobicContact CD2-CG1 4.2Å; F79-I108 HydrophobicContact CE2-CD1 3.88Å; F79-I108 HydrophobicContact CE2-CG1 4.11Å; F79-F109 PolarHBondContact N-O 2.86Å; F79-L110 HydrophobicContact CB-CD2 4.01Å; F79-L110 HydrophobicContact CD2-CD2 3.81Å; F79-L110 HydrophobicContact CG-CD2 4.1Å; F79-L111 VanDerWaalsContact O-CB 3.28Å; F79-L111 WeakPolarHBondContact O-CB 3.21Å; F79-L111 WeakPolarHBondContact O-CG 3.09Å; F79-L111 PolarHBondContact O-N 3.33Å
80L98.9Very high98Very high0 Ų033.7 Ų33.70%015%0.154CC..  trans-86.1-14.3-169.6-62.1-176.9000113.9I51 C52 L111 C162 H164 A237I51-L80 HydrophobicContact CG2-CD1 3.7Å; I51-L80 HydrophobicContact CG2-CD2 3.86Å; I51-L80 HydrophobicContact CG2-CG 3.8Å; C52-L80 WeakPolarHBondContact O-CB 3.46Å; C52-L80 VanDerWaalsContact O-CG 3.31Å; C52-L80 WeakPolarHBondContact O-CG 3.13Å; C52-L80 PolarHBondContact O-N 2.78Å; L80-L111 HydrophobicContact CD2-CD1 3.84Å; L80-C162 HydrophobicContact CD2-CB 3.71Å; L80-H164 WeakPolarHBondContact O-CA 3.3Å; L80-H164 WeakPolarHBondContact O-CB 3.32Å; L80-A237 HydrophobicContact CB-CB 3.76Å; L80-A237 HydrophobicContact CD1-CB 3.91Å; L80-A237 HydrophobicContact CG-CB 4.48Å
81G98.8Very high98Very high0 Ų032.7 Ų32.70%014%0.143CC..SBendtrans136.9-173.2178.900000112.8
82D98.9Very high98.1Very high2 Ų230.5 Ų30.51%0.01113%0.133CC..  trans55.562.9174.7-758.7000113.3D54 I55 H56 G113 N114 H115 E116 H164D54-D82 HydrophobicContact CB-CB 4.25Å; D54-D82 WeakPolarHBondContact OD1-CB 3.32Å; I55-D82 PolarHBondContact N-O 3.38Å; H56-D82 IonicContact CE1-OD2 2.76Å; H56-D82 PolarHBondContact N-O 3.44Å; H56-D82 IonicContact NE2-OD2 2.66Å; D82-G113 WeakPolarHBondContact OD1-CA 3.43Å; D82-N114 PolarHBondContact OD1-N 3.01Å; D82-N114 PolarHBondContact OD1-OD1 3.5Å; D82-N114 VanDerWaalsContact OD1-OD1 3.08Å; D82-N114 PolarHBondContact OD2-OD1 2.92Å; D82-H115 HydrophobicContact CB-CB 4.41Å; D82-H115 VanDerWaalsContact CG-CD2 3.49Å; D82-H115 WeakPolarHBondContact OD1-CB 3.44Å; D82-H115 IonicContact OD1-CD2 3.16Å; D82-H115 IonicContact OD1-CG 3.36Å; D82-H115 PolarHBondContact OD1-N 2.8Å; D82-H115 IonicContact OD2-CD2 3.88Å; D82-H115 PolarHBondContact OD2-CD2 2.79Å; D82-H115 IonicContact OD2-CG 3.74Å; D82-E116 WeakPolarHBondContact CA-OE2 3.37Å; D82-E116 PolarHBondContact N-OE2 3Å; D82-H164 IonicContact OD1-CD2 2.64Å; D82-H164 IonicContact OD1-CE1 2.79Å; D82-H164 IonicContact OD1-NE2 3.84Å; D82-H164 PolarHBondContact OD1-NE2 2.89Å; D82-H164 VanDerWaalsContact OD1-NE2 3.09Å; D82-H164 IonicContact OD2-CE1 2.77Å; D82-H164 PolarHBondContact OD2-CE1 3.4Å; D82-H164 VanDerWaalsContact OD2-CE1 3.23Å; D82-H164 IonicContact OD2-NE2 3.82Å; D82-H164 PolarHBondContact OD2-NE2 3.16Å
83Y98.9Very high98.1Very high0 Ų029.9 Ų29.90%013%0.129CC..  trans-84-29.7-179.9-49.5-60.4000112.9G57 F79 T93 I94 L97 L110 L111 E116 M150G57-Y83 PolarHBondContact N-O 2.97Å; F79-Y83 HydrophobicContact CB-CE1 3.57Å; F79-Y83 HydrophobicContact CD1-CE1 4.36Å; F79-Y83 HydrophobicContact CG-CE1 4.22Å; F79-Y83 PolarHBondContact O-OH 3.3Å; Y83-T93 WeakPolarHBondContact O-CG2 3.16Å; Y83-I94 HydrophobicContact CD2-CD1 3.79Å; Y83-I94 HydrophobicContact CG-CD1 4Å; Y83-L97 HydrophobicContact CD1-CD1 3.28Å; Y83-L97 HydrophobicContact CE1-CD1 3.77Å; Y83-L97 HydrophobicContact CG-CD1 3.9Å; Y83-L110 HydrophobicContact CE1-CD2 4.27Å; Y83-L110 HydrophobicContact CE2-CB 4.48Å; Y83-L110 VanDerWaalsContact OH-CA 3.32Å; Y83-L110 WeakPolarHBondContact OH-CA 3.26Å; Y83-L111 VanDerWaalsContact CE2-O 3.3Å; Y83-L111 WeakPolarHBondContact CE2-O 3.38Å; Y83-L111 VanDerWaalsContact CZ-O 3.3Å; Y83-L111 PolarHBondContact OH-N 3.2Å; Y83-L111 VanDerWaalsContact OH-N 3.14Å; Y83-L111 PolarHBondContact OH-O 3.45Å; Y83-E116 VanDerWaalsContact CD2-CD 3.44Å; Y83-E116 HydrophobicContact CD2-CG 3.83Å; Y83-E116 VanDerWaalsContact CD2-OE1 3.3Å; Y83-E116 WeakPolarHBondContact CD2-OE1 3.47Å; Y83-E116 HydrophobicContact CE2-CG 4.18Å; Y83-E116 PolarHBondContact N-OE1 3.04Å; Y83-M150 HydrophobicContact CD2-CE 4.49Å; Y83-M150 HydrophobicContact CE2-CE 4.23Å; Y83-M150 HydrophobicContact CE2-SD 4.16Å
84V98.8Very high98.2Very high0 Ų027.2 Ų27.20%011%0.112CC..SBendtrans-110.7178.9-171.6-58.60000111.3H56 I94 H115 F126 F147H56-V84 PolarHBondContact ND1-O 3.45Å; V84-I94 HydrophobicContact CG1-CB 4.08Å; V84-I94 HydrophobicContact CG1-CG2 4.37Å; V84-H115 HydrophobicContact CG2-CB 4.32Å; V84-F126 HydrophobicContact CB-CB 4.04Å; V84-F126 HydrophobicContact CB-CD1 3.85Å; V84-F126 HydrophobicContact CB-CD2 4.18Å; V84-F126 HydrophobicContact CB-CE1 4.32Å; V84-F126 HydrophobicContact CB-CG 3.77Å; V84-F126 HydrophobicContact CG1-CD1 3.93Å; V84-F126 HydrophobicContact CG1-CD2 4.16Å; V84-F126 HydrophobicContact CG1-CE1 3.87Å; V84-F126 HydrophobicContact CG1-CE2 4.08Å; V84-F126 HydrophobicContact CG1-CG 4.08Å; V84-F126 HydrophobicContact CG1-CZ 3.93Å; V84-F126 HydrophobicContact CG2-CB 4.26Å; V84-F126 HydrophobicContact CG2-CD1 3.83Å; V84-F126 HydrophobicContact CG2-CE1 4.42Å; V84-F126 HydrophobicContact CG2-CG 4.14Å; V84-F147 HydrophobicContact CG1-CZ 4.1Å; V84-F147 HydrophobicContact CG2-CE2 4.46Å; V84-F147 HydrophobicContact CG2-CZ 4.42Å
85D98.5Very high98.2Very high0 Ų017.9 Ų17.90%08%0.077CC..SBendtrans64.1168.4-176.9-65-43.4000114.7H56 G87 S90 H115 S121 Y124 G125 F126H56-D85 CarbonylContact C-O 3.42Å; H56-D85 VanDerWaalsContact CA-O 3.32Å; H56-D85 WeakPolarHBondContact CA-O 3.42Å; H56-D85 WeakPolarHBondContact CB-O 3.39Å; D85-G87 PolarHBondContact O-N 3.45Å; D85-S90 PolarHBondContact N-OG 3.01Å; D85-H115 VanDerWaalsContact CB-ND1 3.33Å; D85-H115 WeakPolarHBondContact CB-ND1 3.47Å; D85-H115 IonicContact OD2-CE1 3.29Å; D85-H115 IonicContact OD2-CG 3.89Å; D85-H115 IonicContact OD2-ND1 3.85Å; D85-H115 PolarHBondContact OD2-ND1 2.85Å; D85-S121 VanDerWaalsContact OD2-CA 3.28Å; D85-S121 WeakPolarHBondContact OD2-CA 3.27Å; D85-Y124 WeakPolarHBondContact CA-O 3.21Å; D85-Y124 WeakPolarHBondContact CB-O 3.4Å; D85-Y124 VanDerWaalsContact CG-CB 3.5Å; D85-G125 PolarHBondContact OD1-N 2.88Å; D85-F126 WeakPolarHBondContact OD1-CB 3.21Å; D85-F126 PolarHBondContact OD1-N 2.87Å
86R96.7Very high98.2Very high94 Ų9417.1 Ų17.136%0.3557%0.071SC..SBendtrans67.1-44.5173.9-45.8-71-168.8125-0.5115.3H56 Y124 Y262H56-R86 HydrophobicContact CB-CB 4.12Å; H56-R86 HydrophobicContact CB-CG 4.46Å; R86-Y124 PolarHBondContact N-O 3.16Å; R86-Y262 HydrophobicContact CB-CE2 4.05Å; R86-Y262 HydrophobicContact CG-CE2 4.26Å; R86-Y262 WeakPolarHBondContact CG-OH 3.5Å
87G95.3Very high98.3Very high9 Ų915 Ų159%0.0936%0.063CC..SBendtrans-80.6177.8171.700000113.2H56 D85 Y264H56-G87 WeakPolarHBondContact O-CA 3.35Å; H56-G87 PolarHBondContact O-N 3.34Å; D85-G87 PolarHBondContact O-N 3.45Å; G87-Y264 WeakPolarHBondContact CA-OH 3.3Å
88R94.9Very high98.3Very high128 Ų12815 Ų1548%0.4836%0.063SC..SBendtrans-97.6-7.1-176.8-60.1173.8-173.2-166.50.7114.1E129 K133 Y264R88-E129 VanDerWaalsContact C-OE2 3.24Å; R88-K133 PolarHBondContact O-NZ 3.16Å; R88-Y264 HydrophobicContact CG-CE2 3.82Å; R88-Y264 PolarHBondContact N-OH 3Å
89H97.3Very high98.3Very high47 Ų4715 Ų1522%0.2186%0.063CC..  trans-132.438.9-169.1-53.7-76.8000111.9G57 F60 V91 Q92 T93 E129G57-H89 CarbonylContact O-C 3.43Å; G57-H89 WeakPolarHBondContact O-CA 3.28Å; G57-H89 WeakPolarHBondContact O-CB 3.46Å; G57-H89 PolarHBondContact O-N 2.75Å; F60-H89 AromaticContact CE2-NE2 3.7Å; H89-V91 VanDerWaalsContact C-N 3.35Å; H89-V91 PolarHBondContact O-N 2.79Å; H89-Q92 HydrophobicContact CB-CB 4.21Å; H89-Q92 PolarHBondContact O-N 3.17Å; H89-T93 WeakPolarHBondContact O-CB 3.4Å; H89-T93 PolarHBondContact O-N 3.18Å; H89-T93 PolarHBondContact O-OG1 3.43Å; H89-E129 PolarHBondContact N-OE2 2.84Å
90S98.7Very high98.2Very high0 Ų015.3 Ų15.30%06%0.064CC..Hα-helixtrans-55.7-45.6177.2-62.60000112.6D85 Q92 T93 I94 F126 E129D85-S90 PolarHBondContact N-OG 3.01Å; S90-Q92 PolarHBondContact O-N 3.24Å; S90-T93 PolarHBondContact O-N 3.13Å; S90-I94 WeakPolarHBondContact O-CG2 3.29Å; S90-I94 PolarHBondContact O-N 2.97Å; S90-F126 VanDerWaalsContact CB-CD2 3.43Å; S90-E129 WeakPolarHBondContact CB-OE2 3.4Å; S90-E129 VanDerWaalsContact N-CD 3.31Å; S90-E129 PolarHBondContact N-OE1 2.9Å; S90-E129 PolarHBondContact N-OE2 3.1Å; S90-E129 PolarHBondContact OG-OE2 3.27Å
91V98.5Very high98.2Very high1 Ų115.3 Ų15.31%0.0066%0.064CC..Hα-helixtrans-59.7-48.8177.8175.30000110.5L19 L25 H89 T93 T95 F126 E129 K133 F134L19-V91 HydrophobicContact CD2-CB 4.19Å; L19-V91 HydrophobicContact CD2-CG1 3.67Å; L25-V91 HydrophobicContact CD2-CG1 4.35Å; H89-V91 VanDerWaalsContact C-N 3.35Å; H89-V91 PolarHBondContact O-N 2.79Å; V91-T93 VanDerWaalsContact C-N 3.34Å; V91-T93 PolarHBondContact O-N 3.14Å; V91-T95 WeakPolarHBondContact O-CB 3.49Å; V91-T95 PolarHBondContact O-N 3.46Å; V91-T95 PolarHBondContact O-OG1 3.19Å; V91-F126 HydrophobicContact CG2-CD2 4.47Å; V91-F126 HydrophobicContact CG2-CE2 3.86Å; V91-E129 WeakPolarHBondContact CB-OE1 3.38Å; V91-E129 HydrophobicContact CG2-CG 4.33Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.37Å; V91-E129 PolarHBondContact N-OE1 3.05Å; V91-K133 HydrophobicContact CB-CD 4.38Å; V91-K133 HydrophobicContact CG2-CD 4.25Å; V91-F134 HydrophobicContact CG1-CE2 3.84Å; V91-F134 HydrophobicContact CG1-CZ 4.02Å; V91-F134 HydrophobicContact CG2-CE2 4.18Å
92Q98.3Very high98.2Very high18 Ų1816.2 Ų16.28%0.0847%0.07CC..Hα-helixtrans-61.7-44.3177.5-70.988.2-23.600111.5G17 L19 Y59 H89 S90 T95 R96G17-Q92 VanDerWaalsContact O-CG 3.3Å; G17-Q92 WeakPolarHBondContact O-CG 3.44Å; L19-Q92 HydrophobicContact CD2-CG 4.1Å; Y59-Q92 HydrophobicContact CD2-CB 3.72Å; Y59-Q92 HydrophobicContact CE2-CB 4.44Å; Y59-Q92 HydrophobicContact CG-CB 3.82Å; H89-Q92 HydrophobicContact CB-CB 4.21Å; H89-Q92 PolarHBondContact O-N 3.17Å; S90-Q92 PolarHBondContact O-N 3.24Å; Q92-T95 PolarHBondContact O-N 3.21Å; Q92-R96 VanDerWaalsContact O-CB 3.3Å; Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 PolarHBondContact O-N 3.47Å
93T98.8Very high98.2Very high0 Ų021.3 Ų21.30%09%0.089CC..Hα-helixtrans-60.5-55.1-178.3-57.40000111.2I55 G57 Y59 L62 Y83 H89 S90 V91 T95 R96 L97I55-T93 HydrophobicContact CB-CG2 4.23Å; I55-T93 HydrophobicContact CG2-CG2 3.44Å; I55-T93 VanDerWaalsContact CG2-CG2 3.44Å; G57-T93 VanDerWaalsContact C-OG1 3.31Å; G57-T93 WeakPolarHBondContact CA-OG1 3.43Å; Y59-T93 WeakPolarHBondContact CA-OG1 3.42Å; Y59-T93 PolarHBondContact N-OG1 3.42Å; L62-T93 HydrophobicContact CD2-CG2 4Å; Y83-T93 WeakPolarHBondContact O-CG2 3.16Å; H89-T93 WeakPolarHBondContact O-CB 3.4Å; H89-T93 PolarHBondContact O-N 3.18Å; H89-T93 PolarHBondContact O-OG1 3.43Å; S90-T93 PolarHBondContact O-N 3.13Å; V91-T93 VanDerWaalsContact C-N 3.34Å; V91-T93 PolarHBondContact O-N 3.14Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.1Å; T93-R96 WeakPolarHBondContact O-CB 3.09Å; T93-R96 PolarHBondContact O-N 3.16Å; T93-L97 HydrophobicContact CG2-CD1 4.49Å; T93-L97 WeakPolarHBondContact O-CG 3.12Å; T93-L97 PolarHBondContact O-N 2.87Å; T93-L97 VanDerWaalsContact O-N 3.14Å
94I98.8Very high98.2Very high0 Ų024.2 Ų24.20%010%0.1CC..Hα-helixtrans-66.5-36.7-180-167.359.2000111.2Y83 V84 S90 R96 L97 L98 F126 F143 F147 M150Y83-I94 HydrophobicContact CD2-CD1 3.79Å; Y83-I94 HydrophobicContact CG-CD1 4Å; V84-I94 HydrophobicContact CG1-CB 4.08Å; V84-I94 HydrophobicContact CG1-CG2 4.37Å; S90-I94 WeakPolarHBondContact O-CG2 3.29Å; S90-I94 PolarHBondContact O-N 2.97Å; I94-R96 PolarHBondContact O-N 3.23Å; I94-L97 PolarHBondContact O-N 3.01Å; I94-L98 HydrophobicContact CD1-CD1 4.5Å; I94-L98 HydrophobicContact CD1-CD2 4.5Å; I94-L98 HydrophobicContact CD1-CG 4.19Å; I94-L98 HydrophobicContact CG1-CD1 3.95Å; I94-L98 HydrophobicContact CG1-CG 4.09Å; I94-L98 WeakPolarHBondContact O-CB 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.25Å; I94-L98 PolarHBondContact O-N 3.44Å; I94-F126 HydrophobicContact CG2-CZ 4.27Å; I94-F143 HydrophobicContact CG1-CD1 4.27Å; I94-F143 HydrophobicContact CG1-CE1 4.14Å; I94-F143 HydrophobicContact CG2-CD1 4.13Å; I94-F143 HydrophobicContact CG2-CE1 3.56Å; I94-F143 HydrophobicContact CG2-CE2 4.42Å; I94-F143 HydrophobicContact CG2-CZ 3.71Å; I94-F147 HydrophobicContact CD1-CE1 4.11Å; I94-F147 HydrophobicContact CG1-CE1 4.11Å; I94-M150 HydrophobicContact CD1-CE 4.21Å
95T98.8Very high98.2Very high4 Ų426.2 Ų26.23%0.02511%0.113CC..Hα-helixtrans-62.9-42.1176.5-60.20000111.8A14 L20 L25 V91 Q92 T93 L98 T99A14-T95 HydrophobicContact CB-CG2 4.16Å; L20-T95 HydrophobicContact CD1-CG2 3.48Å; L20-T95 VanDerWaalsContact CD1-CG2 3.48Å; L20-T95 HydrophobicContact CG-CG2 3.79Å; L25-T95 HydrophobicContact CD1-CG2 3.89Å; L25-T95 WeakPolarHBondContact CD1-OG1 3.47Å; V91-T95 WeakPolarHBondContact O-CB 3.49Å; V91-T95 PolarHBondContact O-N 3.46Å; V91-T95 PolarHBondContact O-OG1 3.19Å; Q92-T95 PolarHBondContact O-N 3.21Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.1Å; T95-L98 PolarHBondContact O-N 3.04Å; T95-T99 HydrophobicContact CG2-CG2 4.27Å; T95-T99 WeakPolarHBondContact O-CB 3.29Å; T95-T99 VanDerWaalsContact O-CG2 3.31Å; T95-T99 WeakPolarHBondContact O-CG2 3.47Å; T95-T99 PolarHBondContact O-N 2.92Å; T95-T99 PolarHBondContact O-OG1 3.43Å
96R98.7Very high98.2Very high13 Ų1332.1 Ų32.15%0.04914%0.141CC..Hα-helixtrans-59.3-48175.5178.557.8166.4136.53.3111.9Y59 L62 E63 F66 E71 Q92 T93 I94 T99 L100Y59-R96 HydrophobicContact CD2-CB 4.38Å; Y59-R96 HydrophobicContact CE2-CB 4Å; Y59-R96 HydrophobicContact CE2-CG 4.13Å; L62-R96 HydrophobicContact CD2-CB 4.29Å; L62-R96 HydrophobicContact CD2-CG 4.03Å; E63-R96 WeakPolarHBondContact OE1-CD 3.46Å; E63-R96 WeakPolarHBondContact OE1-CG 3.33Å; E63-R96 IonicContact OE1-CZ 3.36Å; E63-R96 IonicContact OE1-NE 3.83Å; E63-R96 PolarHBondContact OE1-NE 3.04Å; E63-R96 IonicContact OE1-NH2 2.65Å; E63-R96 IonicContact OE2-CZ 3.78Å; E63-R96 IonicContact OE2-NE 3.93Å; E63-R96 IonicContact OE2-NH2 2.62Å; E63-R96 PolarHBondContact OE2-NH2 3.29Å; F66-R96 HydrophobicContact CE2-CG 4.31Å; E71-R96 IonicContact OE2-NH2 2.58Å; Q92-R96 VanDerWaalsContact O-CB 3.3Å; Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 PolarHBondContact O-N 3.47Å; T93-R96 WeakPolarHBondContact O-CB 3.09Å; T93-R96 PolarHBondContact O-N 3.16Å; I94-R96 PolarHBondContact O-N 3.23Å; R96-T99 PolarHBondContact O-OG1 3.48Å; R96-L100 WeakPolarHBondContact O-CG 3.22Å; R96-L100 PolarHBondContact O-N 2.93Å
97L98.9Very high98.3Very high0 Ų030.7 Ų30.70%014%0.138CC..Hα-helixtrans-66.4-42.7178.5-65.8172.9000112.2L62 F66 F79 Y83 T93 I94 L100 K101 I108 L110L62-L97 HydrophobicContact CD1-CD2 4.16Å; L62-L97 HydrophobicContact CD2-CD1 4.49Å; L62-L97 HydrophobicContact CD2-CD2 4.05Å; L62-L97 HydrophobicContact CD2-CG 4Å; F66-L97 HydrophobicContact CZ-CD2 4.09Å; F79-L97 HydrophobicContact CD1-CD2 4.39Å; F79-L97 HydrophobicContact CD2-CD2 4.22Å; F79-L97 HydrophobicContact CE1-CD2 4.01Å; F79-L97 HydrophobicContact CE2-CD2 3.82Å; F79-L97 HydrophobicContact CG-CD2 4.5Å; F79-L97 HydrophobicContact CZ-CD2 3.71Å; Y83-L97 HydrophobicContact CD1-CD1 3.28Å; Y83-L97 HydrophobicContact CE1-CD1 3.77Å; Y83-L97 HydrophobicContact CG-CD1 3.9Å; T93-L97 HydrophobicContact CG2-CD1 4.49Å; T93-L97 WeakPolarHBondContact O-CG 3.12Å; T93-L97 PolarHBondContact O-N 2.87Å; T93-L97 VanDerWaalsContact O-N 3.14Å; I94-L97 PolarHBondContact O-N 3.01Å; L97-L100 PolarHBondContact O-N 3.34Å; L97-K101 WeakPolarHBondContact O-CB 3.29Å; L97-K101 PolarHBondContact O-N 3.04Å; L97-I108 HydrophobicContact CD2-CD1 3.96Å; L97-L110 HydrophobicContact CB-CD1 3.9Å; L97-L110 HydrophobicContact CB-CD2 4.09Å; L97-L110 HydrophobicContact CD1-CD2 4.38Å; L97-L110 HydrophobicContact CD2-CD2 4.21Å; L97-L110 HydrophobicContact CG-CD2 4.47Å
98L98.9Very high98.4Very high0 Ų030.3 Ų30.30%013%0.134CC..Hα-helixtrans-69.1-40.2-179.4-68.6179.3000113.2V28 I29 A32 F36 I94 T95 L100 K101 V102 L110 F143 L146 M150V28-L98 HydrophobicContact CG1-CB 3.87Å; I29-L98 HydrophobicContact CG1-CD1 4.49Å; A32-L98 HydrophobicContact CB-CD2 3.86Å; F36-L98 HydrophobicContact CE2-CD2 3.93Å; F36-L98 HydrophobicContact CZ-CD2 4.19Å; I94-L98 HydrophobicContact CD1-CD1 4.5Å; I94-L98 HydrophobicContact CD1-CD2 4.5Å; I94-L98 HydrophobicContact CD1-CG 4.19Å; I94-L98 HydrophobicContact CG1-CD1 3.95Å; I94-L98 HydrophobicContact CG1-CG 4.09Å; I94-L98 WeakPolarHBondContact O-CB 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.25Å; I94-L98 PolarHBondContact O-N 3.44Å; T95-L98 PolarHBondContact O-N 3.04Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 3.39Å; L98-K101 PolarHBondContact O-N 3.09Å; L98-V102 WeakPolarHBondContact O-CB 3.39Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.28Å; L98-V102 PolarHBondContact O-N 3.36Å; L98-L110 HydrophobicContact CD2-CD1 4.16Å; L98-F143 HydrophobicContact CD1-CD1 4.22Å; L98-F143 HydrophobicContact CD1-CE1 3.75Å; L98-L146 HydrophobicContact CD1-CD2 3.43Å; L98-L146 VanDerWaalsContact CD1-CD2 3.43Å; L98-L146 HydrophobicContact CD2-CD2 3.81Å; L98-L146 HydrophobicContact CG-CD2 4.28Å; L98-M150 HydrophobicContact CD2-CE 4.39Å
99T98.9Very high98.6Very high0 Ų024.5 Ų24.50%011%0.112CC..Hα-helixtrans-61.8-42.2175.850.20000111.1C10 A14 L20 V28 T95 R96 R103C10-T99 HydrophobicContact CB-CG2 4.09Å; A14-T99 HydrophobicContact CB-CG2 4.23Å; L20-T99 HydrophobicContact CD1-CG2 4.35Å; V28-T99 HydrophobicContact CG1-CG2 4Å; V28-T99 HydrophobicContact CG2-CG2 4Å; T95-T99 HydrophobicContact CG2-CG2 4.27Å; T95-T99 WeakPolarHBondContact O-CB 3.29Å; T95-T99 VanDerWaalsContact O-CG2 3.31Å; T95-T99 WeakPolarHBondContact O-CG2 3.47Å; T95-T99 PolarHBondContact O-N 2.92Å; T95-T99 PolarHBondContact O-OG1 3.43Å; R96-T99 PolarHBondContact O-OG1 3.48Å; T99-R103 WeakPolarHBondContact O-CB 3.27Å; T99-R103 PolarHBondContact O-N 2.91Å; T99-R103 VanDerWaalsContact O-N 3.09Å
100L98.9Very high98.7Very high5 Ų522.3 Ų22.33%0.02610%0.102CC..Hα-helixtrans-61.7-44.8171.5-71.5175.3000111.8L11 F66 V72 R96 L97 L98 V102 R103 Y104 I108L11-L100 HydrophobicContact CD2-CD2 4.08Å; F66-L100 HydrophobicContact CE1-CD1 4.42Å; F66-L100 HydrophobicContact CE2-CD1 3.92Å; F66-L100 HydrophobicContact CZ-CD1 3.69Å; V72-L100 HydrophobicContact CB-CD2 4.05Å; V72-L100 HydrophobicContact CG1-CD2 4.22Å; V72-L100 HydrophobicContact CG2-CD1 4.32Å; R96-L100 WeakPolarHBondContact O-CG 3.22Å; R96-L100 PolarHBondContact O-N 2.93Å; L97-L100 PolarHBondContact O-N 3.34Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 3.39Å; L100-V102 PolarHBondContact O-N 2.83Å; L100-R103 PolarHBondContact O-N 2.85Å; L100-Y104 HydrophobicContact CD2-CD2 4.23Å; L100-Y104 HydrophobicContact CD2-CE2 4.32Å; L100-Y104 PolarHBondContact O-N 2.83Å; L100-I108 HydrophobicContact CB-CD1 3.95Å; L100-I108 HydrophobicContact CB-CG2 4.1Å; L100-I108 HydrophobicContact CD1-CD1 4.09Å
101K98.8Very high98.7Very high0 Ų022.3 Ų22.30%010%0.102CC..Hα-helixtrans-59.5-45.1178.5179.960.4178.9170.80112.7V35 F36 E39 L97 L98 R103 Y104 P105 I108 L110V35-K101 HydrophobicContact CG1-CD 4.32Å; V35-K101 HydrophobicContact CG1-CG 4.39Å; F36-K101 HydrophobicContact CE1-CD 4.34Å; F36-K101 HydrophobicContact CE1-CG 4.14Å; F36-K101 HydrophobicContact CZ-CG 4.06Å; E39-K101 WeakPolarHBondContact OE1-CE 3.35Å; E39-K101 IonicContact OE1-NZ 3.87Å; E39-K101 PolarHBondContact OE1-NZ 2.82Å; E39-K101 IonicContact OE2-NZ 2.65Å; L97-K101 WeakPolarHBondContact O-CB 3.29Å; L97-K101 PolarHBondContact O-N 3.04Å; L98-K101 PolarHBondContact O-N 3.09Å; K101-R103 VanDerWaalsContact C-N 3.35Å; K101-Y104 CarbonylContact O-C 3.55Å; K101-P105 PolarHBondContact NZ-O 3.34Å; K101-P105 WeakPolarHBondContact O-CA 3.2Å; K101-I108 HydrophobicContact CB-CG2 3.98Å; K101-I108 HydrophobicContact CD-CG2 4.12Å; K101-I108 WeakPolarHBondContact CD-O 3.22Å; K101-I108 WeakPolarHBondContact CE-O 3.47Å; K101-I108 PolarHBondContact NZ-O 2.83Å; K101-L110 HydrophobicContact CB-CD1 3.97Å; K101-L110 HydrophobicContact CG-CD1 4.32Å
102V98.8Very high98.7Very high20 Ų2022.2 Ų22.212%0.12110%0.102CC..Hα-helixtrans-66-39.7178.8171.10000111.1L7 V28 L31 A32 L98 L100L7-V102 HydrophobicContact CD1-CB 4.47Å; L7-V102 HydrophobicContact CD1-CG1 4.04Å; L7-V102 HydrophobicContact CD2-CG1 3.79Å; V28-V102 HydrophobicContact CG1-CG2 4.49Å; L31-V102 HydrophobicContact CB-CB 4.4Å; L31-V102 HydrophobicContact CB-CG1 3.62Å; L31-V102 HydrophobicContact CB-CG2 3.78Å; L31-V102 HydrophobicContact CD1-CG1 3.84Å; L31-V102 HydrophobicContact CG-CG1 4.32Å; A32-V102 HydrophobicContact CB-CG2 3.77Å; L98-V102 WeakPolarHBondContact O-CB 3.39Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.28Å; L98-V102 PolarHBondContact O-N 3.36Å; L100-V102 PolarHBondContact O-N 2.83Å
103R98.7Very high98.7Very high108 Ų10821.4 Ų21.441%0.40810%0.098SC..Hα-helixtrans-77.4-36.3-177.3-175.563.5177.890.1-4.3113.7L7 D8 L11 T99 L100 K101L7-R103 HydrophobicContact CD2-CB 4.24Å; D8-R103 IonicContact OD1-NE 3.71Å; L11-R103 HydrophobicContact CD1-CB 3.82Å; L11-R103 HydrophobicContact CD1-CG 3.64Å; L11-R103 HydrophobicContact CD2-CB 4.25Å; T99-R103 WeakPolarHBondContact O-CB 3.27Å; T99-R103 PolarHBondContact O-N 2.91Å; T99-R103 VanDerWaalsContact O-N 3.09Å; L100-R103 PolarHBondContact O-N 2.85Å; K101-R103 VanDerWaalsContact C-N 3.35Å
104Y98.7Very high98.7Very high61 Ų6121.5 Ų21.524%0.23910%0.099CC..  trans-133.362.8-172.4-50.6-70.2000110.6V72 P73 L100 K101 E106 Q107 I108V72-Y104 HydrophobicContact CG1-CD2 3.51Å; V72-Y104 HydrophobicContact CG1-CE2 4.25Å; V72-Y104 HydrophobicContact CG1-CG 3.89Å; P73-Y104 HydrophobicContact CB-CD1 3.68Å; P73-Y104 HydrophobicContact CB-CE1 3.89Å; P73-Y104 HydrophobicContact CB-CG 4.02Å; P73-Y104 HydrophobicContact CG-CD1 4.05Å; P73-Y104 HydrophobicContact CG-CE1 3.71Å; L100-Y104 HydrophobicContact CD2-CD2 4.23Å; L100-Y104 HydrophobicContact CD2-CE2 4.32Å; L100-Y104 PolarHBondContact O-N 2.83Å; K101-Y104 CarbonylContact O-C 3.55Å; Y104-E106 PolarHBondContact O-N 3.02Å; Y104-Q107 PolarHBondContact O-N 3.15Å; Y104-I108 PolarHBondContact O-N 2.67Å
105P98.4Very high98.7Very high42 Ų4221.8 Ų21.827%0.27310%0.1SC..THydrogen-bonded Turntrans-59.5-26-171.723.9-35.3000113.9V35 K101V35-P105 HydrophobicContact CG1-CB 3.69Å; V35-P105 HydrophobicContact CG2-CB 4.43Å; K101-P105 PolarHBondContact NZ-O 3.34Å; K101-P105 WeakPolarHBondContact O-CA 3.2Å
106E97.9Very high98.7Very high125 Ų12521.6 Ų21.658%0.58410%0.099SC*.THydrogen-bonded Turntrans-90-3.2178.5-61.7-57.7135.300114.3Y104 F109Y104-E106 PolarHBondContact O-N 3.02Å; E106-F109 VanDerWaalsContact O-CE2 3.26Å; E106-F109 WeakPolarHBondContact O-CE2 3.37Å; E106-F109 WeakPolarHBondContact O-CZ 3.37Å
107Q98.5Very high98.7Very high64 Ų6421.2 Ų21.230%0.29910%0.098SC..THydrogen-bonded Turntrans-114.7-17.4-176.5-58.3-58.3-31.800113.3V72 P73 R76 Y77 Y104V72-Q107 HydrophobicContact CG1-CB 4.06Å; P73-Q107 HydrophobicContact CB-CB 4.43Å; P73-Q107 HydrophobicContact CB-CG 3.95Å; R76-Q107 CarbonylContact C-O 3.53Å; R76-Q107 WeakPolarHBondContact CA-O 3.41Å; Y77-Q107 PolarHBondContact N-O 3.43Å; Y104-Q107 PolarHBondContact O-N 3.15Å
108I98.6Very high98.6Very high0 Ų024.7 Ų24.70%011%0.111CC..EExtended strand (participates in β ladder)trans-134.2127.4174.8-170.4170.6000109.4Y77 F79 L97 L100 K101 Y104 L110Y77-I108 CarbonylContact O-C 3.59Å; Y77-I108 WeakPolarHBondContact O-CA 3.14Å; F79-I108 HydrophobicContact CD2-CD1 4.32Å; F79-I108 HydrophobicContact CD2-CG1 4.2Å; F79-I108 HydrophobicContact CE2-CD1 3.88Å; F79-I108 HydrophobicContact CE2-CG1 4.11Å; L97-I108 HydrophobicContact CD2-CD1 3.96Å; L100-I108 HydrophobicContact CB-CD1 3.95Å; L100-I108 HydrophobicContact CB-CG2 4.1Å; L100-I108 HydrophobicContact CD1-CD1 4.09Å; K101-I108 HydrophobicContact CB-CG2 3.98Å; K101-I108 HydrophobicContact CD-CG2 4.12Å; K101-I108 WeakPolarHBondContact CD-O 3.22Å; K101-I108 WeakPolarHBondContact CE-O 3.47Å; K101-I108 PolarHBondContact NZ-O 2.83Å; Y104-I108 PolarHBondContact O-N 2.67Å; I108-L110 HydrophobicContact CD1-CD2 4.22Å; I108-L110 HydrophobicContact CG1-CD2 4.02Å
109F98.9Very high98.5Very high6 Ų630.8 Ų30.83%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-118.7131-179-60.9-89.4000107.6V43 L45 R76 Y77 V78 F79 E106V43-F109 HydrophobicContact CG1-CD1 3.95Å; V43-F109 HydrophobicContact CG1-CE1 4.06Å; L45-F109 HydrophobicContact CD1-CB 4.29Å; L45-F109 HydrophobicContact CD1-CD2 4.19Å; L45-F109 HydrophobicContact CD1-CG 4.09Å; L45-F109 HydrophobicContact CD2-CD1 3.47Å; L45-F109 VanDerWaalsContact CD2-CD1 3.47Å; L45-F109 HydrophobicContact CD2-CD2 3.74Å; L45-F109 HydrophobicContact CD2-CE1 3.43Å; L45-F109 VanDerWaalsContact CD2-CE1 3.43Å; L45-F109 HydrophobicContact CD2-CE2 3.77Å; L45-F109 HydrophobicContact CD2-CG 3.63Å; L45-F109 HydrophobicContact CD2-CZ 3.59Å; R76-F109 HydrophobicContact CG-CE2 4.17Å; Y77-F109 WeakPolarHBondContact O-CD2 3.48Å; Y77-F109 PolarHBondContact O-N 2.83Å; V78-F109 CarbonylContact C-O 3.02Å; V78-F109 WeakPolarHBondContact CA-O 3.17Å; V78-F109 HydrophobicContact CB-CB 4.18Å; V78-F109 HydrophobicContact CG2-CB 4.05Å; F79-F109 PolarHBondContact N-O 2.86Å; E106-F109 VanDerWaalsContact O-CE2 3.26Å; E106-F109 WeakPolarHBondContact O-CE2 3.37Å; E106-F109 WeakPolarHBondContact O-CZ 3.37Å
110L98.9Very high98.5Very high1 Ų131.5 Ų31.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-121.3104.6-174.8-57.9178.7000107.4F36 F79 Y83 L97 L98 K101 I108F36-L110 HydrophobicContact CE1-CB 4.14Å; F36-L110 HydrophobicContact CZ-CB 4.06Å; F36-L110 HydrophobicContact CZ-CD1 4.11Å; F79-L110 HydrophobicContact CB-CD2 4.01Å; F79-L110 HydrophobicContact CD2-CD2 3.81Å; F79-L110 HydrophobicContact CG-CD2 4.1Å; Y83-L110 HydrophobicContact CE1-CD2 4.27Å; Y83-L110 HydrophobicContact CE2-CB 4.48Å; Y83-L110 VanDerWaalsContact OH-CA 3.32Å; Y83-L110 WeakPolarHBondContact OH-CA 3.26Å; L97-L110 HydrophobicContact CB-CD1 3.9Å; L97-L110 HydrophobicContact CB-CD2 4.09Å; L97-L110 HydrophobicContact CD1-CD2 4.38Å; L97-L110 HydrophobicContact CD2-CD2 4.21Å; L97-L110 HydrophobicContact CG-CD2 4.47Å; L98-L110 HydrophobicContact CD2-CD1 4.16Å; K101-L110 HydrophobicContact CB-CD1 3.97Å; K101-L110 HydrophobicContact CG-CD1 4.32Å; I108-L110 HydrophobicContact CD1-CD2 4.22Å; I108-L110 HydrophobicContact CG1-CD2 4.02Å
111L98.9Very high98.4Very high0 Ų031.2 Ų31.20%014%0.14CC..  trans-79.4160.2173.3-54.9-175.7000110.1V78 F79 L80 Y83 P151 A153 A154 C162V78-L111 HydrophobicContact CG2-CD1 4.06Å; V78-L111 HydrophobicContact CG2-CG 3.99Å; F79-L111 VanDerWaalsContact O-CB 3.28Å; F79-L111 WeakPolarHBondContact O-CB 3.21Å; F79-L111 WeakPolarHBondContact O-CG 3.09Å; F79-L111 PolarHBondContact O-N 3.33Å; L80-L111 HydrophobicContact CD2-CD1 3.84Å; Y83-L111 VanDerWaalsContact CE2-O 3.3Å; Y83-L111 WeakPolarHBondContact CE2-O 3.38Å; Y83-L111 VanDerWaalsContact CZ-O 3.3Å; Y83-L111 PolarHBondContact OH-N 3.2Å; Y83-L111 VanDerWaalsContact OH-N 3.14Å; Y83-L111 PolarHBondContact OH-O 3.45Å; L111-P151 CarbonylContact C-O 3.47Å; L111-P151 WeakPolarHBondContact CA-O 3.48Å; L111-P151 HydrophobicContact CD2-CB 3.96Å; L111-A153 WeakPolarHBondContact CD2-O 3.41Å; L111-A154 HydrophobicContact CD1-CB 4.23Å; L111-A154 HydrophobicContact CD2-CB 4.16Å; L111-C162 HydrophobicContact CD1-CB 4.17Å
112R98.9Very high98.4Very high0 Ų033.5 Ų33.50%016%0.156CC..  trans-84.7127.7178.6-162.8175.6-175.4177.80.8110E116 F147 M150 P151 R182 C184 L196R112-E116 HydrophobicContact CG-CB 3.77Å; R112-E116 PolarHBondContact NE-O 3.22Å; R112-E116 PolarHBondContact NH2-O 3.42Å; R112-F147 WeakPolarHBondContact CD-O 3.21Å; R112-F147 PolarHBondContact NE-O 3.31Å; R112-F147 VanDerWaalsContact NE-O 3.15Å; R112-M150 HydrophobicContact CB-CB 3.87Å; R112-M150 HydrophobicContact CG-CB 4.28Å; R112-P151 WeakPolarHBondContact CB-O 3.36Å; R112-P151 PolarHBondContact N-O 3.29Å; R112-R182 PolarHBondContact NH1-O 3.14Å; R112-C184 PolarHBondContact NH1-O 2.84Å; R112-C184 PolarHBondContact NH2-O 3.08Å; R112-L196 HydrophobicContact CG-CD1 4.35Å; R112-L196 WeakPolarHBondContact O-CD2 3.29Å
113G98.8Very high98.2Very high0 Ų036.6 Ų36.60%018%0.178CC..  trans-94.7179.8166.300000112.5D82 H115 E116 H164D82-G113 WeakPolarHBondContact OD1-CA 3.43Å; G113-H115 VanDerWaalsContact C-N 3.29Å; G113-E116 WeakPolarHBondContact CA-OE2 3.46Å; G113-E116 PolarHBondContact N-OE2 3.17Å; G113-E116 PolarHBondContact O-N 3.23Å; G113-H164 VanDerWaalsContact CA-CD2 3.46Å; G113-H164 WeakPolarHBondContact CA-CD2 3.38Å
114N98.5Very high98.1Very high3 Ų336.5 Ų36.52%0.01618%0.179CC..SBendtrans-77.6-17.7178.768.1-56.9000112.7D82 C117 I120 H164 L196 W197 H238D82-N114 PolarHBondContact OD1-N 3.01Å; D82-N114 PolarHBondContact OD1-OD1 3.5Å; D82-N114 VanDerWaalsContact OD1-OD1 3.08Å; D82-N114 PolarHBondContact OD2-OD1 2.92Å; N114-C117 PolarHBondContact O-SG 2.9Å; N114-I120 WeakPolarHBondContact O-CG1 3.46Å; N114-H164 PolarHBondContact N-CD2 2.9Å; N114-H164 VanDerWaalsContact N-CD2 3.34Å; N114-H164 PolarHBondContact OD1-CD2 3.26Å; N114-H164 VanDerWaalsContact OD1-CD2 3.31Å; N114-H164 PolarHBondContact OD1-NE2 2.88Å; N114-L196 HydrophobicContact CB-CB 4.29Å; N114-W197 HydrophobicContact CB-CD2 3.92Å; N114-W197 VanDerWaalsContact CB-CE2 3.48Å; N114-W197 HydrophobicContact CB-CE3 4.49Å; N114-W197 HydrophobicContact CB-CG 4.34Å; N114-W197 HydrophobicContact CB-CH2 4.32Å; N114-W197 HydrophobicContact CB-CZ2 3.71Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.34Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.33Å; N114-W197 WeakPolarHBondContact ND2-CZ3 3.34Å; N114-H238 VanDerWaalsContact CG-CE1 3.45Å; N114-H238 PolarHBondContact ND2-CE1 3.43Å; N114-H238 PolarHBondContact OD1-CE1 2.86Å; N114-H238 PolarHBondContact OD1-ND1 3Å; N114-H238 VanDerWaalsContact OD1-ND1 3.14Å
115H98.7Very high98Very high6 Ų634.8 Ų34.83%0.02818%0.179CC..SBendtrans-79-17.1171.3-78.5-101000113.5H56 D82 V84 D85 G113 C117 I120 Y124H56-H115 AromaticContact CE1-CD2 3.61Å; H56-H115 AromaticContact CE1-CE1 3.95Å; H56-H115 AromaticContact CE1-CG 3.83Å; H56-H115 AromaticContact CE1-NE2 3.7Å; D82-H115 HydrophobicContact CB-CB 4.41Å; D82-H115 VanDerWaalsContact CG-CD2 3.49Å; D82-H115 WeakPolarHBondContact OD1-CB 3.44Å; D82-H115 IonicContact OD1-CD2 3.16Å; D82-H115 IonicContact OD1-CG 3.36Å; D82-H115 PolarHBondContact OD1-N 2.8Å; D82-H115 IonicContact OD2-CD2 3.88Å; D82-H115 PolarHBondContact OD2-CD2 2.79Å; D82-H115 IonicContact OD2-CG 3.74Å; V84-H115 HydrophobicContact CG2-CB 4.32Å; D85-H115 VanDerWaalsContact CB-ND1 3.33Å; D85-H115 WeakPolarHBondContact CB-ND1 3.47Å; D85-H115 IonicContact OD2-CE1 3.29Å; D85-H115 IonicContact OD2-CG 3.89Å; D85-H115 IonicContact OD2-ND1 3.85Å; D85-H115 PolarHBondContact OD2-ND1 2.85Å; G113-H115 VanDerWaalsContact C-N 3.29Å; H115-C117 PolarHBondContact O-N 2.93Å; H115-I120 HydrophobicContact CB-CG2 4.23Å; H115-I120 WeakPolarHBondContact CE1-CG2 3.37Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.17Å; H115-Y124 AromaticContact CE1-CG 3.95Å
116E98.5Very high98Very high0 Ų032.8 Ų32.80%017%0.166CC..SBendtrans-78.953.9173.6-77.771.2-128.900112.5D82 Y83 R112 G113 F147 M150D82-E116 WeakPolarHBondContact CA-OE2 3.37Å; D82-E116 PolarHBondContact N-OE2 3Å; Y83-E116 VanDerWaalsContact CD2-CD 3.44Å; Y83-E116 HydrophobicContact CD2-CG 3.83Å; Y83-E116 VanDerWaalsContact CD2-OE1 3.3Å; Y83-E116 WeakPolarHBondContact CD2-OE1 3.47Å; Y83-E116 HydrophobicContact CE2-CG 4.18Å; Y83-E116 PolarHBondContact N-OE1 3.04Å; R112-E116 HydrophobicContact CG-CB 3.77Å; R112-E116 PolarHBondContact NE-O 3.22Å; R112-E116 PolarHBondContact NH2-O 3.42Å; G113-E116 WeakPolarHBondContact CA-OE2 3.46Å; G113-E116 PolarHBondContact N-OE2 3.17Å; G113-E116 PolarHBondContact O-N 3.23Å; E116-F147 VanDerWaalsContact CA-CD2 3.5Å; E116-F147 HydrophobicContact CB-CB 3.89Å; E116-F147 HydrophobicContact CB-CD1 4.05Å; E116-F147 HydrophobicContact CB-CD2 3.88Å; E116-F147 HydrophobicContact CB-CE2 4.42Å; E116-F147 HydrophobicContact CB-CG 3.69Å; E116-F147 HydrophobicContact CG-CD1 3.73Å; E116-F147 HydrophobicContact CG-CD2 4.15Å; E116-F147 HydrophobicContact CG-CE1 3.87Å; E116-F147 HydrophobicContact CG-CE2 4.27Å; E116-F147 HydrophobicContact CG-CG 3.89Å; E116-F147 HydrophobicContact CG-CZ 4.13Å; E116-F147 WeakPolarHBondContact O-CB 3.41Å; E116-M150 HydrophobicContact CB-SD 4.5Å; E116-M150 HydrophobicContact CG-SD 4.03Å
117C98.4Very high98Very high5 Ų530.1 Ų30.13%0.03415%0.151CC..SBendtrans-153162.1173.272.20000112.4N114 H115 K119 S121 E185 I186N114-C117 PolarHBondContact O-SG 2.9Å; H115-C117 PolarHBondContact O-N 2.93Å; C117-K119 PolarHBondContact O-N 2.87Å; C117-S121 WeakPolarHBondContact O-CB 3.24Å; C117-S121 PolarHBondContact O-N 2.73Å; C117-S121 PolarHBondContact O-OG 3.1Å; C117-E185 WeakPolarHBondContact CB-OE2 3.24Å; C117-I186 HydrophobicContact CB-CB 4.31Å; C117-I186 HydrophobicContact CB-CD1 3.66Å; C117-I186 HydrophobicContact CB-CG1 3.86Å
118R98.1Very high98Very high72 Ų7231.6 Ų31.627%0.27216%0.161SC..Hα-helixtrans-62.5-43.7-179.3-70.8177.7-174.8-80.1-1.1112.6I120 S122 W140 E141 C144 E185R118-I120 VanDerWaalsContact C-N 3.34Å; R118-I120 PolarHBondContact O-N 3.36Å; R118-S122 VanDerWaalsContact O-CB 3.23Å; R118-S122 WeakPolarHBondContact O-CB 3.29Å; R118-S122 PolarHBondContact O-N 3.04Å; R118-S122 PolarHBondContact O-OG 2.79Å; R118-W140 HydrophobicContact CB-CH2 4.15Å; R118-W140 HydrophobicContact CB-CZ2 4.06Å; R118-W140 HydrophobicContact CG-CH2 4.09Å; R118-W140 HydrophobicContact CG-CZ2 4.15Å; R118-E141 PolarHBondContact NH2-O 2.8Å; R118-E141 VanDerWaalsContact NH2-O 3.14Å; R118-C144 HydrophobicContact CG-CB 3.51Å; R118-E185 WeakPolarHBondContact CD-OE1 3.43Å; R118-E185 WeakPolarHBondContact CG-OE1 3.46Å; R118-E185 PolarHBondContact N-OE2 3.16Å; R118-E185 VanDerWaalsContact N-OE2 3.09Å; R118-E185 IonicContact NE-OE1 2.75Å; R118-E185 PolarHBondContact NE-OE1 3.12Å
119K96.5Very high98Very high129 Ų12932.3 Ų32.356%0.56117%0.165SC*.Hα-helixtrans-57.5-49.1-173.6-179.4174.4175.6172.60111C117 S122C117-K119 PolarHBondContact O-N 2.87Å; K119-S122 PolarHBondContact O-OG 3.11Å
120I97.9Very high97.9Very high14 Ų1432 Ų327%0.07216%0.163CC..Hα-helixtrans-78.4-52.8-177.8-58.9-52.7000110.6N114 H115 R118 S122 S123 Y124 W197N114-I120 WeakPolarHBondContact O-CG1 3.46Å; H115-I120 HydrophobicContact CB-CG2 4.23Å; H115-I120 WeakPolarHBondContact CE1-CG2 3.37Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.17Å; R118-I120 VanDerWaalsContact C-N 3.34Å; R118-I120 PolarHBondContact O-N 3.36Å; I120-S122 PolarHBondContact O-N 2.89Å; I120-S123 PolarHBondContact O-N 3.25Å; I120-Y124 HydrophobicContact CB-CD2 4.45Å; I120-Y124 HydrophobicContact CD1-CE2 4.3Å; I120-Y124 HydrophobicContact CG2-CD2 3.5Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.5Å; I120-Y124 HydrophobicContact CG2-CE2 3.85Å; I120-Y124 HydrophobicContact CG2-CG 4.47Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.31Å; I120-Y124 PolarHBondContact O-N 2.99Å; I120-W197 HydrophobicContact CD1-CH2 3.6Å; I120-W197 HydrophobicContact CD1-CZ2 3.67Å; I120-W197 HydrophobicContact CG1-CH2 4Å; I120-W197 HydrophobicContact CG1-CZ2 3.7Å
121S97.6Very high97.9Very high0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-64.7-14.1-175.365.40000115.8D85 C117 S123 Y127 W140D85-S121 VanDerWaalsContact OD2-CA 3.28Å; D85-S121 WeakPolarHBondContact OD2-CA 3.27Å; C117-S121 WeakPolarHBondContact O-CB 3.24Å; C117-S121 PolarHBondContact O-N 2.73Å; C117-S121 PolarHBondContact O-OG 3.1Å; S121-S123 VanDerWaalsContact C-N 3.26Å; S121-S123 PolarHBondContact O-N 3.34Å; S121-Y127 WeakPolarHBondContact O-CB 3.23Å; S121-Y127 PolarHBondContact O-N 3.43Å; S121-Y127 VanDerWaalsContact O-N 3.07Å; S121-W140 PolarHBondContact OG-NE1 3.25Å
122S97.5Very high97.8Very high47 Ų4742.4 Ų42.433%0.32922%0.218SC..THydrogen-bonded Turntrans-67.9-22.3170.169.20000114.2R118 K119 I120R118-S122 VanDerWaalsContact O-CB 3.23Å; R118-S122 WeakPolarHBondContact O-CB 3.29Å; R118-S122 PolarHBondContact O-N 3.04Å; R118-S122 PolarHBondContact O-OG 2.79Å; K119-S122 PolarHBondContact O-OG 3.11Å; I120-S122 PolarHBondContact O-N 2.89Å
123S96.1Very high97.7Very high86 Ų8645.3 Ų45.360%0.60123%0.23SC*.THydrogen-bonded Turntrans-122.1-14.3-165.3-60.40000114.5I120 S121I120-S123 PolarHBondContact O-N 3.25Å; S121-S123 VanDerWaalsContact C-N 3.26Å; S121-S123 PolarHBondContact O-N 3.34Å
124Y96.6Very high97.5Very high106 Ų10647 Ų4742%0.41624%0.238SC..SBendtrans-11314.3-173-66.6-82.8000114.4D85 R86 H115 I120D85-Y124 WeakPolarHBondContact CA-O 3.21Å; D85-Y124 WeakPolarHBondContact CB-O 3.4Å; D85-Y124 VanDerWaalsContact CG-CB 3.5Å; R86-Y124 PolarHBondContact N-O 3.16Å; H115-Y124 AromaticContact CE1-CG 3.95Å; I120-Y124 HydrophobicContact CB-CD2 4.45Å; I120-Y124 HydrophobicContact CD1-CE2 4.3Å; I120-Y124 HydrophobicContact CG2-CD2 3.5Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.5Å; I120-Y124 HydrophobicContact CG2-CE2 3.85Å; I120-Y124 HydrophobicContact CG2-CG 4.47Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.31Å; I120-Y124 PolarHBondContact O-N 2.99Å
125G95.9Very high97.4Very high24 Ų2449.9 Ų49.925%0.24727%0.268CS..SBendtrans120-24.4164.900000115.2D85 Y127 D128 E129D85-G125 PolarHBondContact OD1-N 2.88Å; G125-Y127 PolarHBondContact O-N 3.31Å; G125-D128 PolarHBondContact O-N 3.23Å; G125-E129 VanDerWaalsContact O-CB 3.25Å; G125-E129 WeakPolarHBondContact O-CB 3.47Å; G125-E129 PolarHBondContact O-N 2.91Å
126F98.5Very high97.3Very high0 Ų051.5 Ų51.50%028%0.277CS..Hα-helixtrans-67.9-39.1-174.4-176.5-141.2000113.3V84 D85 S90 V91 I94 E129 C130 W140 F143 F147V84-F126 HydrophobicContact CB-CB 4.04Å; V84-F126 HydrophobicContact CB-CD1 3.85Å; V84-F126 HydrophobicContact CB-CD2 4.18Å; V84-F126 HydrophobicContact CB-CE1 4.32Å; V84-F126 HydrophobicContact CB-CG 3.77Å; V84-F126 HydrophobicContact CG1-CD1 3.93Å; V84-F126 HydrophobicContact CG1-CD2 4.16Å; V84-F126 HydrophobicContact CG1-CE1 3.87Å; V84-F126 HydrophobicContact CG1-CE2 4.08Å; V84-F126 HydrophobicContact CG1-CG 4.08Å; V84-F126 HydrophobicContact CG1-CZ 3.93Å; V84-F126 HydrophobicContact CG2-CB 4.26Å; V84-F126 HydrophobicContact CG2-CD1 3.83Å; V84-F126 HydrophobicContact CG2-CE1 4.42Å; V84-F126 HydrophobicContact CG2-CG 4.14Å; D85-F126 WeakPolarHBondContact OD1-CB 3.21Å; D85-F126 PolarHBondContact OD1-N 2.87Å; S90-F126 VanDerWaalsContact CB-CD2 3.43Å; V91-F126 HydrophobicContact CG2-CD2 4.47Å; V91-F126 HydrophobicContact CG2-CE2 3.86Å; I94-F126 HydrophobicContact CG2-CZ 4.27Å; F126-E129 PolarHBondContact O-N 2.79Å; F126-C130 WeakPolarHBondContact CE2-SG 3.28Å; F126-C130 PolarHBondContact O-N 3.3Å; F126-C130 PolarHBondContact O-SG 3.08Å; F126-W140 AromaticContact CD1-CD1 3.69Å; F126-F143 HydrophobicContact CE1-CB 3.8Å; F126-F143 HydrophobicContact CE1-CD2 4.17Å; F126-F143 HydrophobicContact CE1-CG 4.13Å; F126-F143 HydrophobicContact CE2-CD2 4.38Å; F126-F143 HydrophobicContact CZ-CB 3.94Å; F126-F143 HydrophobicContact CZ-CD1 4.47Å; F126-F143 AromaticContact CZ-CD2 3.47Å; F126-F143 HydrophobicContact CZ-CD2 3.47Å; F126-F143 VanDerWaalsContact CZ-CD2 3.47Å; F126-F143 AromaticContact CZ-CE2 4Å; F126-F143 HydrophobicContact CZ-CE2 4Å; F126-F143 AromaticContact CZ-CG 3.73Å; F126-F143 HydrophobicContact CZ-CG 3.73Å; F126-F147 HydrophobicContact CD1-CE2 4.4Å; F126-F147 AromaticContact CE1-CE2 3.93Å; F126-F147 HydrophobicContact CE1-CE2 3.93Å; F126-F147 AromaticContact CE1-CZ 3.83Å; F126-F147 HydrophobicContact CE1-CZ 3.83Å
127Y98.6Very high97Very high69 Ų6953 Ų5327%0.27129%0.286SS..Hα-helixtrans-57.4-53.6173.1175.7-87.5000111.8S121 G125 E129 C130 L131 P137 W140S121-Y127 WeakPolarHBondContact O-CB 3.23Å; S121-Y127 PolarHBondContact O-N 3.43Å; S121-Y127 VanDerWaalsContact O-N 3.07Å; G125-Y127 PolarHBondContact O-N 3.31Å; Y127-E129 VanDerWaalsContact C-N 3.29Å; Y127-E129 PolarHBondContact O-N 3.27Å; Y127-C130 PolarHBondContact O-N 2.99Å; Y127-L131 HydrophobicContact CE1-CD2 4.29Å; Y127-L131 PolarHBondContact O-N 2.87Å; Y127-P137 HydrophobicContact CD2-CB 4.33Å; Y127-P137 HydrophobicContact CE2-CB 3.5Å; Y127-P137 HydrophobicContact CE2-CG 4.46Å; Y127-W140 AromaticContact CD2-CD2 3.54Å; Y127-W140 HydrophobicContact CD2-CD2 3.54Å; Y127-W140 AromaticContact CD2-CE2 3.88Å; Y127-W140 AromaticContact CD2-CE3 3.57Å; Y127-W140 HydrophobicContact CD2-CE3 3.57Å; Y127-W140 AromaticContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CH2 4.26Å; Y127-W140 HydrophobicContact CD2-CZ2 4.24Å; Y127-W140 AromaticContact CD2-CZ3 3.94Å; Y127-W140 HydrophobicContact CD2-CZ3 3.94Å; Y127-W140 HydrophobicContact CE2-CD2 4.34Å; Y127-W140 AromaticContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CZ3 4.11Å; Y127-W140 HydrophobicContact CG-CD2 4.45Å
128D98.2Very high96.9Very high95 Ų9556.5 Ų56.551%0.50830%0.304SS..Hα-helixtrans-63.3-37.8-179.4-66-39.4000111.4G125 C130 L131 L132G125-D128 PolarHBondContact O-N 3.23Å; D128-C130 PolarHBondContact O-N 2.76Å; D128-L131 PolarHBondContact O-N 3.42Å; D128-L132 VanDerWaalsContact O-CB 3.28Å; D128-L132 WeakPolarHBondContact O-CB 3.34Å; D128-L132 PolarHBondContact O-N 3.42Å
129E97.5Very high96.8Very high15 Ų1553 Ų537%0.0729%0.291CS..Hα-helixtrans-61.9-43.6176.2-169.3-172.8130.100111.7R88 H89 S90 V91 G125 F126 Y127 K133R88-E129 VanDerWaalsContact C-OE2 3.24Å; H89-E129 PolarHBondContact N-OE2 2.84Å; S90-E129 WeakPolarHBondContact CB-OE2 3.4Å; S90-E129 VanDerWaalsContact N-CD 3.31Å; S90-E129 PolarHBondContact N-OE1 2.9Å; S90-E129 PolarHBondContact N-OE2 3.1Å; S90-E129 PolarHBondContact OG-OE2 3.27Å; V91-E129 WeakPolarHBondContact CB-OE1 3.38Å; V91-E129 HydrophobicContact CG2-CG 4.33Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.37Å; V91-E129 PolarHBondContact N-OE1 3.05Å; G125-E129 VanDerWaalsContact O-CB 3.25Å; G125-E129 WeakPolarHBondContact O-CB 3.47Å; G125-E129 PolarHBondContact O-N 2.91Å; F126-E129 PolarHBondContact O-N 2.79Å; Y127-E129 VanDerWaalsContact C-N 3.29Å; Y127-E129 PolarHBondContact O-N 3.27Å; E129-K133 HydrophobicContact CG-CD 3.84Å; E129-K133 WeakPolarHBondContact O-CB 3.44Å; E129-K133 VanDerWaalsContact O-CG 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 2.79Å; E129-K133 IonicContact OE1-NZ 2.8Å; E129-K133 PolarHBondContact OE1-NZ 2.75Å; E129-K133 IonicContact OE2-NZ 3.21Å
130C98Very high96.9Very high0 Ų048 Ų480%027%0.269CS..Hα-helixtrans-65.2-44.9175.9-70.40000111.6F126 Y127 D128 L132 K133 F134 W140F126-C130 WeakPolarHBondContact CE2-SG 3.28Å; F126-C130 PolarHBondContact O-N 3.3Å; F126-C130 PolarHBondContact O-SG 3.08Å; Y127-C130 PolarHBondContact O-N 2.99Å; D128-C130 PolarHBondContact O-N 2.76Å; C130-L132 VanDerWaalsContact C-N 3.33Å; C130-L132 PolarHBondContact O-N 3.01Å; C130-K133 PolarHBondContact O-N 2.84Å; C130-F134 WeakPolarHBondContact O-CD2 3.13Å; C130-F134 PolarHBondContact O-N 2.82Å; C130-W140 HydrophobicContact CB-CB 3.81Å
131L97.4Very high96.9Very high68 Ų6851 Ų5136%0.35628%0.283SS..Hα-helixtrans-59.8-44.4177.6-179.562000111.3Y127 D128 G135Y127-L131 HydrophobicContact CE1-CD2 4.29Å; Y127-L131 PolarHBondContact O-N 2.87Å; D128-L131 PolarHBondContact O-N 3.42Å; L131-G135 WeakPolarHBondContact O-CA 3.41Å; L131-G135 PolarHBondContact O-N 3.09Å
132L97.3Very high97Very high152 Ų15252.2 Ų52.280%0.79629%0.291SS*.Hα-helixtrans-66.8-43.1179.3-178.464.7000112.3D128 C130D128-L132 VanDerWaalsContact O-CB 3.28Å; D128-L132 WeakPolarHBondContact O-CB 3.34Å; D128-L132 PolarHBondContact O-N 3.42Å; C130-L132 VanDerWaalsContact C-N 3.33Å; C130-L132 PolarHBondContact O-N 3.01Å
133K96.4Very high97Very high60 Ų6050 Ų5026%0.26128%0.275SS..Hα-helixtrans-79.1-28.3-174.4-71.3177-179.5171.20113.7L19 R88 V91 E129 C130L19-K133 HydrophobicContact CD1-CB 4.15Å; L19-K133 HydrophobicContact CD1-CD 3.89Å; L19-K133 HydrophobicContact CD1-CG 4.08Å; L19-K133 HydrophobicContact CD2-CD 3.99Å; R88-K133 PolarHBondContact O-NZ 3.16Å; V91-K133 HydrophobicContact CB-CD 4.38Å; V91-K133 HydrophobicContact CG2-CD 4.25Å; E129-K133 HydrophobicContact CG-CD 3.84Å; E129-K133 WeakPolarHBondContact O-CB 3.44Å; E129-K133 VanDerWaalsContact O-CG 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 2.79Å; E129-K133 IonicContact OE1-NZ 2.8Å; E129-K133 PolarHBondContact OE1-NZ 2.75Å; E129-K133 IonicContact OE2-NZ 3.21Å; C130-K133 PolarHBondContact O-N 2.84Å
134F96.4Very high97.2Very high37 Ų3745.9 Ų45.916%0.16225%0.247CC..Hα-helixtrans-123.3-1.6-173.9-59.5-84.9000114.2L25 V91 C130 N136 L139L25-F134 HydrophobicContact CD2-CZ 3.93Å; V91-F134 HydrophobicContact CG1-CE2 3.84Å; V91-F134 HydrophobicContact CG1-CZ 4.02Å; V91-F134 HydrophobicContact CG2-CE2 4.18Å; C130-F134 WeakPolarHBondContact O-CD2 3.13Å; C130-F134 PolarHBondContact O-N 2.82Å; F134-N136 PolarHBondContact O-N 3.38Å; F134-N136 PolarHBondContact O-ND2 2.75Å; F134-N136 VanDerWaalsContact O-ND2 3.16Å; F134-L139 HydrophobicContact CB-CD1 3.96Å; F134-L139 HydrophobicContact CD1-CD1 3.32Å; F134-L139 HydrophobicContact CD2-CD1 3.5Å; F134-L139 HydrophobicContact CE1-CD1 3.53Å; F134-L139 HydrophobicContact CE2-CD1 3.7Å; F134-L139 HydrophobicContact CG-CD1 3.31Å; F134-L139 HydrophobicContact CZ-CD1 3.72Å
135G96.2Very high97.2Very high62 Ų6244.7 Ų44.764%0.63925%0.245SC*.SBendtrans73.92.4177.200000115L131L131-G135 WeakPolarHBondContact O-CA 3.41Å; L131-G135 PolarHBondContact O-N 3.09Å
136N94.7Very high97.4Very high40 Ų4043.7 Ų43.721%0.21423%0.234CC..SBendtrans-156.6159.7178.572.281.3000111.3F134 L138F134-N136 PolarHBondContact O-N 3.38Å; F134-N136 PolarHBondContact O-ND2 2.75Å; F134-N136 VanDerWaalsContact O-ND2 3.16Å; N136-L138 WeakPolarHBondContact OD1-CB 3.29Å; N136-L138 WeakPolarHBondContact OD1-CG 3.43Å; N136-L138 PolarHBondContact OD1-N 3.49Å
137P93.4Very high97.4Very high32 Ų3243.7 Ų43.721%0.20823%0.234CC..SBendtrans-86.91-177.434.9-36.1000114.6Y127 L139 W140 E141Y127-P137 HydrophobicContact CD2-CB 4.33Å; Y127-P137 HydrophobicContact CE2-CB 3.5Å; Y127-P137 HydrophobicContact CE2-CG 4.46Å; P137-L139 PolarHBondContact O-N 3.26Å; P137-W140 WeakPolarHBondContact O-CB 3.32Å; P137-W140 PolarHBondContact O-N 2.99Å; P137-E141 PolarHBondContact O-N 3.44Å
138L96.6Very high97.4Very high78 Ų7841.5 Ų41.541%0.40823%0.226SC..Hα-helixtrans-63.9-28.5-171-58.7173.5000113N136 S142N136-L138 WeakPolarHBondContact OD1-CB 3.29Å; N136-L138 WeakPolarHBondContact OD1-CG 3.43Å; N136-L138 PolarHBondContact OD1-N 3.49Å; L138-S142 WeakPolarHBondContact O-CB 3.28Å; L138-S142 PolarHBondContact O-N 2.6Å; L138-S142 PolarHBondContact O-OG 2.89Å
139L96.5Very high97.4Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-70.7-42.7173.9-86.9170.5000111.9E22 L25 R26 I29 F134 P137 E141 S142 F143E22-L139 HydrophobicContact CB-CD1 4.2Å; E22-L139 HydrophobicContact CG-CD1 3.95Å; E22-L139 HydrophobicContact CG-CD2 4.21Å; E22-L139 HydrophobicContact CG-CG 4.06Å; L25-L139 HydrophobicContact CB-CD2 4.37Å; L25-L139 HydrophobicContact CD2-CD1 4.04Å; L25-L139 HydrophobicContact CD2-CD2 3.87Å; L25-L139 HydrophobicContact CG-CD2 4.08Å; R26-L139 HydrophobicContact CG-CD2 4.12Å; I29-L139 HydrophobicContact CD1-CD2 4.31Å; F134-L139 HydrophobicContact CB-CD1 3.96Å; F134-L139 HydrophobicContact CD1-CD1 3.32Å; F134-L139 HydrophobicContact CD2-CD1 3.5Å; F134-L139 HydrophobicContact CE1-CD1 3.53Å; F134-L139 HydrophobicContact CE2-CD1 3.7Å; F134-L139 HydrophobicContact CG-CD1 3.31Å; F134-L139 HydrophobicContact CZ-CD1 3.72Å; P137-L139 PolarHBondContact O-N 3.26Å; L139-E141 VanDerWaalsContact C-N 3.27Å; L139-E141 PolarHBondContact O-N 3Å; L139-S142 WeakPolarHBondContact O-CB 3.38Å; L139-S142 PolarHBondContact O-N 3.14Å; L139-S142 VanDerWaalsContact O-N 3.1Å; L139-F143 WeakPolarHBondContact O-CD2 3.25Å; L139-F143 PolarHBondContact O-N 3.04Å
140W98.3Very high97.5Very high22 Ų2238.5 Ų38.58%0.08321%0.207CC..Hα-helixtrans-57.4-43.1171.9167.683.5000111R118 S121 F126 Y127 C130 P137 S142 F143 C144R118-W140 HydrophobicContact CB-CH2 4.15Å; R118-W140 HydrophobicContact CB-CZ2 4.06Å; R118-W140 HydrophobicContact CG-CH2 4.09Å; R118-W140 HydrophobicContact CG-CZ2 4.15Å; S121-W140 PolarHBondContact OG-NE1 3.25Å; F126-W140 AromaticContact CD1-CD1 3.69Å; Y127-W140 AromaticContact CD2-CD2 3.54Å; Y127-W140 HydrophobicContact CD2-CD2 3.54Å; Y127-W140 AromaticContact CD2-CE2 3.88Å; Y127-W140 AromaticContact CD2-CE3 3.57Å; Y127-W140 HydrophobicContact CD2-CE3 3.57Å; Y127-W140 AromaticContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CH2 4.26Å; Y127-W140 HydrophobicContact CD2-CZ2 4.24Å; Y127-W140 AromaticContact CD2-CZ3 3.94Å; Y127-W140 HydrophobicContact CD2-CZ3 3.94Å; Y127-W140 HydrophobicContact CE2-CD2 4.34Å; Y127-W140 AromaticContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CZ3 4.11Å; Y127-W140 HydrophobicContact CG-CD2 4.45Å; C130-W140 HydrophobicContact CB-CB 3.81Å; P137-W140 WeakPolarHBondContact O-CB 3.32Å; P137-W140 PolarHBondContact O-N 2.99Å; W140-S142 VanDerWaalsContact C-N 3.29Å; W140-S142 PolarHBondContact O-N 2.9Å; W140-F143 PolarHBondContact O-N 2.66Å; W140-C144 PolarHBondContact NE1-SG 3.03Å; W140-C144 VanDerWaalsContact NE1-SG 3.44Å; W140-C144 WeakPolarHBondContact O-CB 3.31Å; W140-C144 PolarHBondContact O-N 2.91Å; W140-C144 PolarHBondContact O-SG 2.97Å
141E98.1Very high97.5Very high79 Ų7938.6 Ų38.637%0.36921%0.208SC..Hα-helixtrans-61.8-38.4176-65.2179.6166.500112.6R118 P137 L139 C144 Q145R118-E141 PolarHBondContact NH2-O 2.8Å; R118-E141 VanDerWaalsContact NH2-O 3.14Å; P137-E141 PolarHBondContact O-N 3.44Å; L139-E141 VanDerWaalsContact C-N 3.27Å; L139-E141 PolarHBondContact O-N 3Å; E141-C144 PolarHBondContact O-N 3.36Å; E141-Q145 PolarHBondContact O-N 2.86Å
142S98.4Very high97.6Very high25 Ų2535.4 Ų35.418%0.17519%0.191CC..Hα-helixtrans-67.9-41.1178.3-58.20000111.4R26 L138 L139 W140 Q145 L146R26-S142 PolarHBondContact NH1-OG 2.82Å; L138-S142 WeakPolarHBondContact O-CB 3.28Å; L138-S142 PolarHBondContact O-N 2.6Å; L138-S142 PolarHBondContact O-OG 2.89Å; L139-S142 WeakPolarHBondContact O-CB 3.38Å; L139-S142 PolarHBondContact O-N 3.14Å; L139-S142 VanDerWaalsContact O-N 3.1Å; W140-S142 VanDerWaalsContact C-N 3.29Å; W140-S142 PolarHBondContact O-N 2.9Å; S142-Q145 PolarHBondContact O-N 3.46Å; S142-L146 PolarHBondContact O-N 3.33Å
143F98.8Very high97.7Very high0 Ų028.2 Ų28.20%015%0.153CC..Hα-helixtrans-64.2-45.2172.7-77.7-65.8000111.9L25 I29 I94 L98 F126 L139 W140 Q145 L146 F147L25-F143 HydrophobicContact CD1-CZ 3.91Å; L25-F143 HydrophobicContact CD2-CE2 4.01Å; L25-F143 HydrophobicContact CD2-CZ 3.89Å; L25-F143 HydrophobicContact CG-CZ 4.04Å; I29-F143 HydrophobicContact CD1-CD1 3.85Å; I29-F143 HydrophobicContact CD1-CD2 4.26Å; I29-F143 HydrophobicContact CD1-CE1 3.74Å; I29-F143 HydrophobicContact CD1-CE2 4.17Å; I29-F143 HydrophobicContact CD1-CG 4.12Å; I29-F143 HydrophobicContact CD1-CZ 3.93Å; I29-F143 HydrophobicContact CG1-CD1 4.07Å; I29-F143 HydrophobicContact CG1-CE1 3.85Å; I29-F143 HydrophobicContact CG1-CZ 4.41Å; I94-F143 HydrophobicContact CG1-CD1 4.27Å; I94-F143 HydrophobicContact CG1-CE1 4.14Å; I94-F143 HydrophobicContact CG2-CD1 4.13Å; I94-F143 HydrophobicContact CG2-CE1 3.56Å; I94-F143 HydrophobicContact CG2-CE2 4.42Å; I94-F143 HydrophobicContact CG2-CZ 3.71Å; L98-F143 HydrophobicContact CD1-CD1 4.22Å; L98-F143 HydrophobicContact CD1-CE1 3.75Å; F126-F143 HydrophobicContact CE1-CB 3.8Å; F126-F143 HydrophobicContact CE1-CD2 4.17Å; F126-F143 HydrophobicContact CE1-CG 4.13Å; F126-F143 HydrophobicContact CE2-CD2 4.38Å; F126-F143 HydrophobicContact CZ-CB 3.94Å; F126-F143 HydrophobicContact CZ-CD1 4.47Å; F126-F143 AromaticContact CZ-CD2 3.47Å; F126-F143 HydrophobicContact CZ-CD2 3.47Å; F126-F143 VanDerWaalsContact CZ-CD2 3.47Å; F126-F143 AromaticContact CZ-CE2 4Å; F126-F143 HydrophobicContact CZ-CE2 4Å; F126-F143 AromaticContact CZ-CG 3.73Å; F126-F143 HydrophobicContact CZ-CG 3.73Å; L139-F143 WeakPolarHBondContact O-CD2 3.25Å; L139-F143 PolarHBondContact O-N 3.04Å; W140-F143 PolarHBondContact O-N 2.66Å; F143-Q145 VanDerWaalsContact C-N 3.26Å; F143-Q145 PolarHBondContact O-N 3.45Å; F143-L146 WeakPolarHBondContact O-CA 3.3Å; F143-L146 WeakPolarHBondContact O-CB 3.46Å; F143-L146 PolarHBondContact O-N 3.35Å; F143-F147 HydrophobicContact CB-CE1 4.39Å; F143-F147 HydrophobicContact CB-CE2 4.22Å; F143-F147 HydrophobicContact CB-CZ 3.97Å; F143-F147 WeakPolarHBondContact O-CD1 3.19Å; F143-F147 WeakPolarHBondContact O-CD2 3.41Å; F143-F147 WeakPolarHBondContact O-CG 3.09Å; F143-F147 PolarHBondContact O-N 3.1Å
144C98.6Very high97.8Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-58.8-38.9176.3-71.20000112.3R118 W140 E141 F147R118-C144 HydrophobicContact CG-CB 3.51Å; W140-C144 PolarHBondContact NE1-SG 3.03Å; W140-C144 VanDerWaalsContact NE1-SG 3.44Å; W140-C144 WeakPolarHBondContact O-CB 3.31Å; W140-C144 PolarHBondContact O-N 2.91Å; W140-C144 PolarHBondContact O-SG 2.97Å; E141-C144 PolarHBondContact O-N 3.36Å; C144-F147 PolarHBondContact O-N 3.23Å
145Q98.5Very high97.9Very high80 Ų8024.3 Ų24.337%0.37414%0.138SC..Hα-helixtrans-65.3-39.9174-171.960.159.600112.2E141 S142 F143 Q148 Y149E141-Q145 PolarHBondContact O-N 2.86Å; S142-Q145 PolarHBondContact O-N 3.46Å; F143-Q145 VanDerWaalsContact C-N 3.26Å; F143-Q145 PolarHBondContact O-N 3.45Å; Q145-Q148 PolarHBondContact O-N 2.56Å; Q145-Y149 VanDerWaalsContact O-CD2 3.29Å; Q145-Y149 WeakPolarHBondContact O-CD2 3.36Å; Q145-Y149 WeakPolarHBondContact O-CE2 3.1Å
146L98.8Very high98Very high3 Ų321.3 Ų21.32%0.01611%0.107CC..Hα-helixtrans-63.5-41.8175.9174.766.2000112.1I29 A32 R33 F36 L98 S142 F143 Q148 Y149I29-L146 HydrophobicContact CB-CD2 4.47Å; I29-L146 HydrophobicContact CG1-CD2 4.3Å; I29-L146 HydrophobicContact CG2-CB 4.07Å; I29-L146 HydrophobicContact CG2-CD2 4.18Å; A32-L146 HydrophobicContact CB-CD1 4.02Å; A32-L146 HydrophobicContact CB-CD2 4.2Å; R33-L146 HydrophobicContact CB-CD1 3.75Å; R33-L146 VanDerWaalsContact N-CD1 3.34Å; F36-L146 HydrophobicContact CD2-CD1 3.77Å; F36-L146 HydrophobicContact CD2-CG 4.48Å; F36-L146 HydrophobicContact CE2-CD1 4.04Å; F36-L146 HydrophobicContact CE2-CG 4.37Å; L98-L146 HydrophobicContact CD1-CD2 3.43Å; L98-L146 VanDerWaalsContact CD1-CD2 3.43Å; L98-L146 HydrophobicContact CD2-CD2 3.81Å; L98-L146 HydrophobicContact CG-CD2 4.28Å; S142-L146 PolarHBondContact O-N 3.33Å; F143-L146 WeakPolarHBondContact O-CA 3.3Å; F143-L146 WeakPolarHBondContact O-CB 3.46Å; F143-L146 PolarHBondContact O-N 3.35Å; L146-Q148 PolarHBondContact O-N 2.84Å; L146-Q148 VanDerWaalsContact O-N 3.1Å; L146-Y149 WeakPolarHBondContact O-CB 3.24Å; L146-Y149 PolarHBondContact O-N 3.38Å
147F98.8Very high98.2Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-56.1-29.1-179-66.2-22.5000113V84 I94 R112 E116 F126 F143 C144 Y149 M150V84-F147 HydrophobicContact CG1-CZ 4.1Å; V84-F147 HydrophobicContact CG2-CE2 4.46Å; V84-F147 HydrophobicContact CG2-CZ 4.42Å; I94-F147 HydrophobicContact CD1-CE1 4.11Å; I94-F147 HydrophobicContact CG1-CE1 4.11Å; R112-F147 WeakPolarHBondContact CD-O 3.21Å; R112-F147 PolarHBondContact NE-O 3.31Å; R112-F147 VanDerWaalsContact NE-O 3.15Å; E116-F147 VanDerWaalsContact CA-CD2 3.5Å; E116-F147 HydrophobicContact CB-CB 3.89Å; E116-F147 HydrophobicContact CB-CD1 4.05Å; E116-F147 HydrophobicContact CB-CD2 3.88Å; E116-F147 HydrophobicContact CB-CE2 4.42Å; E116-F147 HydrophobicContact CB-CG 3.69Å; E116-F147 HydrophobicContact CG-CD1 3.73Å; E116-F147 HydrophobicContact CG-CD2 4.15Å; E116-F147 HydrophobicContact CG-CE1 3.87Å; E116-F147 HydrophobicContact CG-CE2 4.27Å; E116-F147 HydrophobicContact CG-CG 3.89Å; E116-F147 HydrophobicContact CG-CZ 4.13Å; E116-F147 WeakPolarHBondContact O-CB 3.41Å; F126-F147 HydrophobicContact CD1-CE2 4.4Å; F126-F147 AromaticContact CE1-CE2 3.93Å; F126-F147 HydrophobicContact CE1-CE2 3.93Å; F126-F147 AromaticContact CE1-CZ 3.83Å; F126-F147 HydrophobicContact CE1-CZ 3.83Å; F143-F147 HydrophobicContact CB-CE1 4.39Å; F143-F147 HydrophobicContact CB-CE2 4.22Å; F143-F147 HydrophobicContact CB-CZ 3.97Å; F143-F147 WeakPolarHBondContact O-CD1 3.19Å; F143-F147 WeakPolarHBondContact O-CD2 3.41Å; F143-F147 WeakPolarHBondContact O-CG 3.09Å; F143-F147 PolarHBondContact O-N 3.1Å; C144-F147 PolarHBondContact O-N 3.23Å; F147-Y149 PolarHBondContact O-N 3.01Å; F147-M150 HydrophobicContact CD1-CE 3.72Å; F147-M150 HydrophobicContact CD1-SD 3.93Å; F147-M150 HydrophobicContact CE1-CE 4.07Å; F147-M150 PolarHBondContact O-N 2.84Å
148Q98.6Very high98.3Very high23 Ų2322.4 Ų22.411%0.10712%0.122CC..THydrogen-bonded Turntrans-64.5-19.1175.6-58178.423.700113.8Q145 L146 R182 F183 E185Q145-Q148 PolarHBondContact O-N 2.56Å; L146-Q148 PolarHBondContact O-N 2.84Å; L146-Q148 VanDerWaalsContact O-N 3.1Å; Q148-R182 CarbonylContact O-C 3.58Å; Q148-F183 WeakPolarHBondContact O-CA 3.5Å; Q148-E185 PolarHBondContact NE2-OE1 3.28Å
149Y98.7Very high98.3Very high48 Ų4819.7 Ų19.719%0.18811%0.11CC..THydrogen-bonded Turntrans-90.2-17.4-179.8-67.6-98.8000113.2R33 L37 Q145 L146 F147 R182 F183R33-Y149 HydrophobicContact CG-CD1 3.88Å; R33-Y149 HydrophobicContact CG-CD2 3.77Å; R33-Y149 HydrophobicContact CG-CE1 3.94Å; R33-Y149 HydrophobicContact CG-CE2 3.8Å; R33-Y149 HydrophobicContact CG-CG 3.81Å; L37-Y149 HydrophobicContact CB-CD1 4.37Å; L37-Y149 HydrophobicContact CD1-CD1 4.14Å; L37-Y149 HydrophobicContact CD1-CE1 4.04Å; Q145-Y149 VanDerWaalsContact O-CD2 3.29Å; Q145-Y149 WeakPolarHBondContact O-CD2 3.36Å; Q145-Y149 WeakPolarHBondContact O-CE2 3.1Å; L146-Y149 WeakPolarHBondContact O-CB 3.24Å; L146-Y149 PolarHBondContact O-N 3.38Å; F147-Y149 PolarHBondContact O-N 3.01Å; Y149-R182 PolarHBondContact O-NE 3.27Å; Y149-R182 VanDerWaalsContact O-NE 3.12Å; Y149-F183 AromaticContact CD1-CD1 3.64Å; Y149-F183 HydrophobicContact CD1-CD1 3.64Å; Y149-F183 AromaticContact CD1-CE1 3.6Å; Y149-F183 HydrophobicContact CD1-CE1 3.6Å; Y149-F183 HydrophobicContact CE1-CD1 4.02Å; Y149-F183 HydrophobicContact CE1-CE1 4.24Å; Y149-F183 HydrophobicContact CG-CD1 4.09Å; Y149-F183 HydrophobicContact CG-CE1 4.24Å
150M98.8Very high98.4Very high0 Ų019.9 Ų19.90%011%0.111CC..SBendtrans-62.1138.3-175.5-71178.1168.600111.5F36 Y83 I94 L98 R112 E116 F147 R182F36-M150 HydrophobicContact CD2-CG 4.28Å; F36-M150 HydrophobicContact CE1-CG 4.22Å; F36-M150 HydrophobicContact CE2-CE 4.04Å; F36-M150 HydrophobicContact CE2-CG 3.94Å; F36-M150 HydrophobicContact CZ-CE 4.01Å; F36-M150 HydrophobicContact CZ-CG 3.9Å; Y83-M150 HydrophobicContact CD2-CE 4.49Å; Y83-M150 HydrophobicContact CE2-CE 4.23Å; Y83-M150 HydrophobicContact CE2-SD 4.16Å; I94-M150 HydrophobicContact CD1-CE 4.21Å; L98-M150 HydrophobicContact CD2-CE 4.39Å; R112-M150 HydrophobicContact CB-CB 3.87Å; R112-M150 HydrophobicContact CG-CB 4.28Å; E116-M150 HydrophobicContact CB-SD 4.5Å; E116-M150 HydrophobicContact CG-SD 4.03Å; F147-M150 HydrophobicContact CD1-CE 3.72Å; F147-M150 HydrophobicContact CD1-SD 3.93Å; F147-M150 HydrophobicContact CE1-CE 4.07Å; F147-M150 PolarHBondContact O-N 2.84Å; M150-R182 WeakPolarHBondContact O-CD 3.26Å
151P98.8Very high98.4Very high1 Ų118.8 Ų18.81%0.00611%0.107CC..  trans-56.9152.7170.6-23.633.1000112.6E39 V43 L111 R112E39-P151 HydrophobicContact CB-CG 3.98Å; E39-P151 WeakPolarHBondContact OE2-CG 3.27Å; V43-P151 HydrophobicContact CG2-CB 3.52Å; V43-P151 HydrophobicContact CG2-CG 3.52Å; L111-P151 CarbonylContact C-O 3.47Å; L111-P151 WeakPolarHBondContact CA-O 3.48Å; L111-P151 HydrophobicContact CD2-CB 3.96Å; R112-P151 WeakPolarHBondContact CB-O 3.36Å; R112-P151 PolarHBondContact N-O 3.29Å
152I98.8Very high98.5Very high2 Ų215 Ų151%0.019%0.089CC..SBendtrans-90.3-36.3-177.3-60.8176.6000110.9T41 L180 R182 F192 L195 L196T41-I152 HydrophobicContact CG2-CB 4.17Å; T41-I152 HydrophobicContact CG2-CD1 3.64Å; T41-I152 HydrophobicContact CG2-CG1 3.93Å; T41-I152 PolarHBondContact O-N 3.12Å; I152-L180 HydrophobicContact CD1-CB 4.49Å; I152-L180 HydrophobicContact CD1-CD1 4.46Å; I152-R182 HydrophobicContact CD1-CB 3.69Å; I152-R182 HydrophobicContact CG1-CB 3.96Å; I152-F192 HydrophobicContact CD1-CD1 4.44Å; I152-F192 HydrophobicContact CD1-CD2 3.45Å; I152-F192 VanDerWaalsContact CD1-CD2 3.45Å; I152-F192 HydrophobicContact CD1-CE1 4.37Å; I152-F192 HydrophobicContact CD1-CE2 3.39Å; I152-F192 HydrophobicContact CD1-CG 4.03Å; I152-F192 HydrophobicContact CD1-CZ 3.87Å; I152-F192 HydrophobicContact CG1-CD2 4.1Å; I152-F192 HydrophobicContact CG1-CE2 3.61Å; I152-F192 HydrophobicContact CG1-CZ 4.13Å; I152-F192 HydrophobicContact CG2-CD2 4.42Å; I152-F192 HydrophobicContact CG2-CE2 4.43Å; I152-L195 HydrophobicContact CG2-CB 4.02Å; I152-L195 HydrophobicContact CG2-CD1 3.75Å; I152-L196 HydrophobicContact CG2-CD2 4.13Å
153A98.9Very high98.5Very high0 Ų013.9 Ų13.90%08%0.081CC..EExtended strand (participates in β ladder)trans-146171.6-175.200000111.4T41 V42 V43 L111 F161 C162 V163T41-A153 PolarHBondContact O-N 2.89Å; V42-A153 CarbonylContact C-O 3.41Å; V42-A153 VanDerWaalsContact CA-O 3.29Å; V42-A153 WeakPolarHBondContact CA-O 3.45Å; V42-A153 HydrophobicContact CG1-CB 4.03Å; V42-A153 HydrophobicContact CG2-CB 4.2Å; V43-A153 PolarHBondContact N-O 2.91Å; L111-A153 WeakPolarHBondContact CD2-O 3.41Å; A153-F161 HydrophobicContact CB-CE2 3.67Å; A153-F161 HydrophobicContact CB-CZ 3.94Å; A153-C162 CarbonylContact C-O 3.56Å; A153-C162 WeakPolarHBondContact CA-O 3.35Å; A153-C162 VanDerWaalsContact CB-O 3.28Å; A153-C162 WeakPolarHBondContact CB-O 3.4Å; A153-V163 HydrophobicContact CB-CB 4.49Å; A153-V163 HydrophobicContact CB-CG2 4.47Å
154A98.9Very high98.5Very high0 Ų013.9 Ų13.90%08%0.081CC..EExtended strand (participates in β ladder)trans-138.2159167.300000111.7V43 L45 V78 L111 C162V43-A154 HydrophobicContact CB-CB 4.34Å; V43-A154 CarbonylContact O-C 3.33Å; V43-A154 WeakPolarHBondContact O-CA 3.36Å; V43-A154 WeakPolarHBondContact O-CB 3.48Å; L45-A154 HydrophobicContact CD1-CB 3.72Å; L45-A154 HydrophobicContact CG-CB 4.16Å; V78-A154 HydrophobicContact CG2-CB 4.32Å; L111-A154 HydrophobicContact CD1-CB 4.23Å; L111-A154 HydrophobicContact CD2-CB 4.16Å; A154-C162 HydrophobicContact CB-CB 4.08Å; A154-C162 PolarHBondContact N-O 2.74Å; A154-C162 PolarHBondContact O-N 2.94Å
155V98.8Very high98.5Very high15 Ų1513.9 Ų13.99%0.0918%0.081CC..EExtended strand (participates in β ladder)trans-123120.6169.4179.80000109.2V42 V43 L45 G158 Y160 F161 I174 I231V42-V155 HydrophobicContact CG1-CG2 3.87Å; V43-V155 PolarHBondContact O-N 2.85Å; L45-V155 PolarHBondContact N-O 3.43Å; V155-G158 VanDerWaalsContact CG1-CA 3.5Å; V155-Y160 CarbonylContact C-O 3.57Å; V155-Y160 VanDerWaalsContact CA-O 3.27Å; V155-Y160 WeakPolarHBondContact CA-O 3.11Å; V155-F161 HydrophobicContact CG2-CD2 4.27Å; V155-I174 HydrophobicContact CG2-CD1 3.79Å; V155-I174 HydrophobicContact CG2-CG2 3.93Å; V155-I231 HydrophobicContact CG1-CD1 3.82Å
156V98.8Very high98.5Very high0 Ų010 Ų100%06%0.063CC..EExtended strand (participates in β ladder)trans-97.7124.8177.4-169.50000109.2L45 L49 G158 S159 Y160L45-V156 HydrophobicContact CB-CG2 4.26Å; L45-V156 HydrophobicContact CD1-CG2 4.49Å; L49-V156 HydrophobicContact CD1-CG1 4.38Å; L49-V156 HydrophobicContact CD1-CG2 4.22Å; L49-V156 HydrophobicContact CD2-CB 4.46Å; L49-V156 HydrophobicContact CD2-CG1 3.72Å; L49-V156 HydrophobicContact CD2-CG2 3.91Å; L49-V156 HydrophobicContact CG-CG1 4.05Å; V156-G158 PolarHBondContact O-N 2.91Å; V156-S159 PolarHBondContact O-N 3.37Å; V156-Y160 HydrophobicContact CB-CD2 4.21Å; V156-Y160 PolarHBondContact N-O 2.77Å; V156-Y160 PolarHBondContact O-N 2.99Å
157D98Very high98.5Very high46 Ų4610 Ų1025%0.2466%0.063CC..THydrogen-bonded Turntrans5618.1178.1-60.3-38.1000115.3L45 K46 S47 S159 P278L45-D157 PolarHBondContact O-N 2.99Å; K46-D157 WeakPolarHBondContact CA-OD1 3.41Å; S47-D157 WeakPolarHBondContact CB-OD2 3.13Å; S47-D157 PolarHBondContact N-OD1 3.25Å; S47-D157 PolarHBondContact N-OD2 3.38Å; S47-D157 PolarHBondContact OG-OD1 3.03Å; S47-D157 PolarHBondContact OG-OD2 2.89Å; D157-S159 PolarHBondContact O-N 2.94Å; D157-P278 HydrophobicContact CB-CB 4.2Å; D157-P278 HydrophobicContact CB-CG 3.85Å
158G96.2Very high98.5Very high48 Ų4810.1 Ų10.150%0.4956%0.064SC..THydrogen-bonded Turntrans66.912.7-170.800000113.8V155 V156 I231V155-G158 VanDerWaalsContact CG1-CA 3.5Å; V156-G158 PolarHBondContact O-N 2.91Å; G158-I231 WeakPolarHBondContact O-CD1 3.32Å
159S96.4Very high98.5Very high22 Ų2210.6 Ų10.615%0.1547%0.069CC..THydrogen-bonded Turntrans-125.6-29.3-169.5-172.30000114V156 D157 I231 S232 M233V156-S159 PolarHBondContact O-N 3.37Å; D157-S159 PolarHBondContact O-N 2.94Å; S159-I231 WeakPolarHBondContact O-CG2 3.38Å; S159-S232 PolarHBondContact O-N 3.39Å; S159-S232 PolarHBondContact O-OG 3.19Å; S159-S232 VanDerWaalsContact O-OG 3.06Å; S159-S232 PolarHBondContact OG-OG 2.83Å; S159-M233 PolarHBondContact O-N 3.26Å
160Y98.6Very high98.4Very high3 Ų313 Ų131%0.0129%0.085CC..EExtended strand (participates in β ladder)trans-114.5122.4178.9-55.4-94.2000110V155 V156 M233 V275 P278 Y281V155-Y160 CarbonylContact C-O 3.57Å; V155-Y160 VanDerWaalsContact CA-O 3.27Å; V155-Y160 WeakPolarHBondContact CA-O 3.11Å; V156-Y160 HydrophobicContact CB-CD2 4.21Å; V156-Y160 PolarHBondContact N-O 2.77Å; V156-Y160 PolarHBondContact O-N 2.99Å; Y160-M233 WeakPolarHBondContact CA-O 3.4Å; Y160-M233 HydrophobicContact CD1-CB 3.86Å; Y160-M233 HydrophobicContact CD1-CG 4.38Å; Y160-M233 HydrophobicContact CD1-SD 4.02Å; Y160-M233 HydrophobicContact CE1-CB 4.18Å; Y160-M233 HydrophobicContact CE1-SD 4.02Å; Y160-V275 HydrophobicContact CD2-CG1 4.29Å; Y160-V275 HydrophobicContact CE2-CG1 3.82Å; Y160-P278 WeakPolarHBondContact CE2-O 3.41Å; Y160-P278 PolarHBondContact OH-O 2.76Å; Y160-Y281 AromaticContact CE1-CD1 4Å; Y160-Y281 HydrophobicContact CE1-CD1 4Å; Y160-Y281 HydrophobicContact CE1-CE1 4.38Å; Y160-Y281 WeakPolarHBondContact OH-CD1 3.49Å
161F98.8Very high98.3Very high0 Ų013.4 Ų13.40%09%0.087CC..EExtended strand (participates in β ladder)trans-93.2114.9173.1176.2-109.7000109.8A153 V155 V163 I174 M177 L195 F225 I231 M233 I234 C235A153-F161 HydrophobicContact CB-CE2 3.67Å; A153-F161 HydrophobicContact CB-CZ 3.94Å; V155-F161 HydrophobicContact CG2-CD2 4.27Å; F161-V163 HydrophobicContact CD1-CG1 4.27Å; F161-V163 HydrophobicContact CE1-CB 3.78Å; F161-V163 HydrophobicContact CE1-CG1 3.7Å; F161-V163 HydrophobicContact CE1-CG2 4.44Å; F161-V163 HydrophobicContact CZ-CB 4Å; F161-V163 HydrophobicContact CZ-CG1 4.4Å; F161-V163 HydrophobicContact CZ-CG2 4.37Å; F161-I174 HydrophobicContact CB-CD1 4.48Å; F161-I174 HydrophobicContact CD2-CD1 3.74Å; F161-I174 HydrophobicContact CD2-CG1 3.9Å; F161-I174 HydrophobicContact CE2-CD1 4.39Å; F161-I174 HydrophobicContact CE2-CG1 4.05Å; F161-I174 HydrophobicContact CG-CD1 4.37Å; F161-M177 HydrophobicContact CE2-CE 4.39Å; F161-M177 HydrophobicContact CE2-SD 3.71Å; F161-M177 HydrophobicContact CZ-CE 3.95Å; F161-M177 HydrophobicContact CZ-SD 3.59Å; F161-M177 VanDerWaalsContact CZ-SD 3.59Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; F161-F225 HydrophobicContact CB-CE1 4.18Å; F161-F225 AromaticContact CD1-CE1 3.6Å; F161-F225 HydrophobicContact CD1-CE1 3.6Å; F161-F225 AromaticContact CD1-CZ 3.79Å; F161-F225 HydrophobicContact CD1-CZ 3.79Å; F161-F225 HydrophobicContact CD2-CZ 4.28Å; F161-F225 HydrophobicContact CE1-CE1 4.1Å; F161-F225 AromaticContact CE1-CZ 3.88Å; F161-F225 HydrophobicContact CE1-CZ 3.88Å; F161-F225 HydrophobicContact CE2-CZ 4.36Å; F161-F225 AromaticContact CG-CE1 3.86Å; F161-F225 HydrophobicContact CG-CE1 3.86Å; F161-F225 AromaticContact CG-CZ 3.99Å; F161-F225 HydrophobicContact CG-CZ 3.99Å; F161-F225 HydrophobicContact CZ-CZ 4.17Å; F161-I231 HydrophobicContact CB-CG1 4.48Å; F161-I231 HydrophobicContact CB-CG2 3.84Å; F161-M233 PolarHBondContact N-O 3.46Å; F161-I234 HydrophobicContact CD1-CG1 4.48Å; F161-I234 HydrophobicContact CD1-CG2 4.37Å; F161-I234 CarbonylContact O-C 3.59Å; F161-I234 WeakPolarHBondContact O-CA 3.49Å; F161-C235 PolarHBondContact O-N 3.47Å
162C98.9Very high98.1Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-102.8126.8-177.4-62.30000110.6L80 L111 A153 A154 C235L80-C162 HydrophobicContact CD2-CB 3.71Å; L111-C162 HydrophobicContact CD1-CB 4.17Å; A153-C162 CarbonylContact C-O 3.56Å; A153-C162 WeakPolarHBondContact CA-O 3.35Å; A153-C162 VanDerWaalsContact CB-O 3.28Å; A153-C162 WeakPolarHBondContact CB-O 3.4Å; A154-C162 HydrophobicContact CB-CB 4.08Å; A154-C162 PolarHBondContact N-O 2.74Å; A154-C162 PolarHBondContact O-N 2.94Å; C162-C235 VanDerWaalsContact CA-O 3.29Å; C162-C235 WeakPolarHBondContact CA-O 3.32Å
163V98.9Very high98.1Very high0 Ų023.5 Ų23.50%013%0.131CC..EExtended strand (participates in β ladder)trans-153.1158.9-179.969.10000109.9A153 F161 L195 C235 R236A153-V163 HydrophobicContact CB-CB 4.49Å; A153-V163 HydrophobicContact CB-CG2 4.47Å; F161-V163 HydrophobicContact CD1-CG1 4.27Å; F161-V163 HydrophobicContact CE1-CB 3.78Å; F161-V163 HydrophobicContact CE1-CG1 3.7Å; F161-V163 HydrophobicContact CE1-CG2 4.44Å; F161-V163 HydrophobicContact CZ-CB 4Å; F161-V163 HydrophobicContact CZ-CG1 4.4Å; F161-V163 HydrophobicContact CZ-CG2 4.37Å; V163-L195 HydrophobicContact CG2-CB 4.12Å; V163-L195 HydrophobicContact CG2-CD2 4.44Å; V163-L195 VanDerWaalsContact CG2-O 3.23Å; V163-L195 WeakPolarHBondContact CG2-O 3.49Å; V163-C235 PolarHBondContact N-O 3.09Å; V163-C235 VanDerWaalsContact N-O 3.09Å; V163-R236 HydrophobicContact CG1-CB 4.17Å; V163-R236 VanDerWaalsContact O-CA 3.25Å; V163-R236 WeakPolarHBondContact O-CA 3.44Å
164H98.9Very high98.1Very high0 Ų024.5 Ų24.50%014%0.137CC..SBendtrans-66.2-66.7174.5-171.951.6000112.4D54 L80 D82 G113 N114 L196 A237 H238D54-H164 IonicContact OD1-CE1 3.62Å; D54-H164 PolarHBondContact OD1-CE1 2.85Å; L80-H164 WeakPolarHBondContact O-CA 3.3Å; L80-H164 WeakPolarHBondContact O-CB 3.32Å; D82-H164 IonicContact OD1-CD2 2.64Å; D82-H164 IonicContact OD1-CE1 2.79Å; D82-H164 IonicContact OD1-NE2 3.84Å; D82-H164 PolarHBondContact OD1-NE2 2.89Å; D82-H164 VanDerWaalsContact OD1-NE2 3.09Å; D82-H164 IonicContact OD2-CE1 2.77Å; D82-H164 PolarHBondContact OD2-CE1 3.4Å; D82-H164 VanDerWaalsContact OD2-CE1 3.23Å; D82-H164 IonicContact OD2-NE2 3.82Å; D82-H164 PolarHBondContact OD2-NE2 3.16Å; G113-H164 VanDerWaalsContact CA-CD2 3.46Å; G113-H164 WeakPolarHBondContact CA-CD2 3.38Å; N114-H164 PolarHBondContact N-CD2 2.9Å; N114-H164 VanDerWaalsContact N-CD2 3.34Å; N114-H164 PolarHBondContact OD1-CD2 3.26Å; N114-H164 VanDerWaalsContact OD1-CD2 3.31Å; N114-H164 PolarHBondContact OD1-NE2 2.88Å; H164-L196 HydrophobicContact CB-CD2 4.05Å; H164-L196 PolarHBondContact CD2-O 3.44Å; H164-A237 CarbonylContact O-C 3.2Å; H164-A237 PolarHBondContact O-N 3.39Å; H164-H238 AromaticContact CD2-ND1 3.64Å; H164-H238 AromaticContact NE2-CG 3.78Å; H164-H238 AromaticContact NE2-ND1 3.16Å; H164-H238 PolarHBondContact NE2-ND1 3.39Å; H164-H238 VanDerWaalsContact NE2-ND1 3.16Å; H164-H238 WeakPolarHBondContact O-CB 3.15Å
165G98.8Very high97.9Very high0 Ų029 Ų290%017%0.168CC..SBendtrans-82.7-83.5-175.100000110.8L195 S198 R236G165-L195 CarbonylContact C-O 3.48Å; G165-L195 VanDerWaalsContact CA-O 3.24Å; G165-L195 WeakPolarHBondContact CA-O 3.35Å; G165-L195 PolarHBondContact N-O 3.45Å; G165-S198 CarbonylContact C-O 3.5Å; G165-S198 WeakPolarHBondContact CA-O 3.49Å; G165-R236 WeakPolarHBondContact O-CB 3.39Å; G165-R236 PolarHBondContact O-NE 2.86Å; G165-R236 PolarHBondContact O-NH2 3.05Å
166G98.5Very high97.9Very high0 Ų030.2 Ų30.20%018%0.18CC..  trans-176.3-145.6-174.300000113L195 S198G166-L195 PolarHBondContact N-O 3.25Å; G166-L195 WeakPolarHBondContact O-CD2 3.28Å; G166-S198 PolarHBondContact N-O 2.81Å
167I98.7Very high97.9Very high2 Ų230.3 Ų30.31%0.0118%0.18CC..  trans-96.5165.7-179.861.4171.5000111.3S198 F206 F217 A221 A222 F225 I234I167-S198 VanDerWaalsContact O-CB 3.26Å; I167-S198 WeakPolarHBondContact O-CB 3.11Å; I167-S198 PolarHBondContact O-OG 2.88Å; I167-F206 HydrophobicContact CD1-CE1 4.29Å; I167-F206 HydrophobicContact CD1-CZ 3.89Å; I167-F206 HydrophobicContact CG1-CE1 3.97Å; I167-F206 HydrophobicContact CG1-CZ 3.98Å; I167-F217 HydrophobicContact CD1-CB 4.32Å; I167-F217 HydrophobicContact CD1-CD2 3.68Å; I167-F217 HydrophobicContact CD1-CE2 4.17Å; I167-F217 HydrophobicContact CD1-CG 4.03Å; I167-F217 HydrophobicContact CG1-CB 4.11Å; I167-F217 HydrophobicContact CG1-CD1 3.9Å; I167-F217 HydrophobicContact CG1-CD2 3.58Å; I167-F217 HydrophobicContact CG1-CE1 4.19Å; I167-F217 HydrophobicContact CG1-CE2 3.88Å; I167-F217 HydrophobicContact CG1-CG 3.58Å; I167-F217 HydrophobicContact CG1-CZ 4.18Å; I167-A221 HydrophobicContact CD1-CB 3.93Å; I167-A222 HydrophobicContact CD1-CB 4.5Å; I167-F225 HydrophobicContact CB-CD2 4.49Å; I167-F225 HydrophobicContact CB-CG 4.48Å; I167-F225 HydrophobicContact CD1-CB 4.09Å; I167-F225 HydrophobicContact CG2-CB 4.37Å; I167-F225 HydrophobicContact CG2-CD1 3.73Å; I167-F225 HydrophobicContact CG2-CD2 4.02Å; I167-F225 HydrophobicContact CG2-CE1 3.96Å; I167-F225 HydrophobicContact CG2-CE2 4.25Å; I167-F225 HydrophobicContact CG2-CG 3.75Å; I167-F225 HydrophobicContact CG2-CZ 4.22Å; I167-I234 HydrophobicContact CG2-CD1 3.88Å
168S98.6Very high97.8Very high3 Ų330.4 Ų30.42%0.02118%0.181CC..BIsolated β-bridgetrans-128.3138.5-175172.30000110.9N170 V171 D194S168-N170 PolarHBondContact O-N 3.21Å; S168-N170 WeakPolarHBondContact OG-CB 3.4Å; S168-N170 PolarHBondContact OG-N 2.83Å; S168-V171 PolarHBondContact OG-N 3.06Å; S168-D194 VanDerWaalsContact CB-CB 3.46Å; S168-D194 WeakPolarHBondContact OG-CB 3.47Å; S168-D194 PolarHBondContact OG-OD2 3.03Å
169P97.9Very high97.9Very high33 Ų3333.1 Ų33.121%0.21419%0.192CC..THydrogen-bonded Turntrans-69.6-21.9168.428.7-31.7000112.1F206 W215P169-F206 HydrophobicContact CB-CD1 4.27Å; P169-F206 HydrophobicContact CB-CD2 3.84Å; P169-F206 HydrophobicContact CB-CE1 4.38Å; P169-F206 HydrophobicContact CB-CE2 3.97Å; P169-F206 HydrophobicContact CB-CG 3.99Å; P169-F206 HydrophobicContact CB-CZ 4.23Å; P169-F206 HydrophobicContact CG-CD1 4.12Å; P169-F206 HydrophobicContact CG-CE1 4.38Å; P169-F206 HydrophobicContact CG-CG 4.18Å; P169-W215 VanDerWaalsContact CD-CD1 3.46Å; P169-W215 HydrophobicContact CG-CD2 3.83Å; P169-W215 HydrophobicContact CG-CG 3.96Å; P169-W215 HydrophobicContact CG-CZ2 4.14Å
170N97.2Very high97.9Very high97 Ų9734 Ų3452%0.51920%0.195SC..THydrogen-bonded Turntrans-86.5-13.3-176.9-63.7-60.8000113.6S168 A191 D194S168-N170 PolarHBondContact O-N 3.21Å; S168-N170 WeakPolarHBondContact OG-CB 3.4Å; S168-N170 PolarHBondContact OG-N 2.83Å; N170-A191 HydrophobicContact CB-CB 3.99Å; N170-D194 PolarHBondContact ND2-OD2 2.87Å
171V97.8Very high97.8Very high9 Ų939 Ų396%0.05522%0.222CC..BIsolated β-bridgetrans-146.2110172.7630000111.1S168 A176 M177 A191 L195S168-V171 PolarHBondContact OG-N 3.06Å; V171-A176 HydrophobicContact CG2-CB 3.73Å; V171-M177 HydrophobicContact CB-CG 4.37Å; V171-M177 HydrophobicContact CG1-CE 4.25Å; V171-M177 HydrophobicContact CG1-CG 3.9Å; V171-M177 HydrophobicContact CG2-CB 4.32Å; V171-M177 HydrophobicContact CG2-CG 3.52Å; V171-A191 HydrophobicContact CB-CB 3.78Å; V171-A191 HydrophobicContact CG1-CB 3.53Å; V171-L195 HydrophobicContact CG1-CD1 4.22Å; V171-L195 HydrophobicContact CG1-CD2 4.44Å; V171-L195 HydrophobicContact CG1-CG 4.37Å
172R94.9Very high97.7Very high159 Ų15939.3 Ų39.360%0.622%0.223SC*.  trans-96-26.6-171.7-63.4-175.5-177.6-177.7-3.1114.4F225 N229R172-F225 VanDerWaalsContact O-CD2 3.28Å; R172-F225 WeakPolarHBondContact O-CD2 3.23Å; R172-F225 WeakPolarHBondContact O-CE2 3.35Å; R172-N229 PolarHBondContact O-ND2 3.43Å
173T98Very high97.7Very high56 Ų5643.1 Ų43.134%0.34424%0.24SC..  trans-111.2141.3-178.168.80000111.2S175 A176 M177 N229T173-S175 PolarHBondContact O-N 2.98Å; T173-A176 WeakPolarHBondContact O-CB 3.32Å; T173-A176 PolarHBondContact O-N 2.98Å; T173-A176 VanDerWaalsContact OG1-CB 3.29Å; T173-A176 WeakPolarHBondContact OG1-CB 3.31Å; T173-A176 PolarHBondContact OG1-N 2.81Å; T173-M177 WeakPolarHBondContact O-CG 3.35Å; T173-M177 PolarHBondContact O-N 3.44Å; T173-N229 WeakPolarHBondContact CA-OD1 3.5Å
174I98Very high97.6Very high22 Ų2245 Ų4511%0.11325%0.252CS..Hα-helixtrans-59-35.5174.9-67.4170000110.5V42 V155 F161 A176 M177 N178 F225 N229 I231V42-I174 HydrophobicContact CB-CG2 4.34Å; V42-I174 HydrophobicContact CG1-CG2 3.88Å; V42-I174 HydrophobicContact CG2-CG2 4.36Å; V155-I174 HydrophobicContact CG2-CD1 3.79Å; V155-I174 HydrophobicContact CG2-CG2 3.93Å; F161-I174 HydrophobicContact CB-CD1 4.48Å; F161-I174 HydrophobicContact CD2-CD1 3.74Å; F161-I174 HydrophobicContact CD2-CG1 3.9Å; F161-I174 HydrophobicContact CE2-CD1 4.39Å; F161-I174 HydrophobicContact CE2-CG1 4.05Å; F161-I174 HydrophobicContact CG-CD1 4.37Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3.39Å; I174-M177 HydrophobicContact CG1-SD 4.43Å; I174-M177 WeakPolarHBondContact O-CB 3.18Å; I174-M177 PolarHBondContact O-N 3.25Å; I174-N178 PolarHBondContact O-N 3.18Å; I174-F225 HydrophobicContact CD1-CZ 4.43Å; I174-F225 HydrophobicContact CG1-CZ 4.06Å; I174-N229 HydrophobicContact CD1-CB 3.9Å; I174-N229 HydrophobicContact CG1-CB 4.3Å; I174-N229 WeakPolarHBondContact CG1-OD1 3.36Å; I174-N229 PolarHBondContact N-OD1 3.15Å; I174-I231 HydrophobicContact CD1-CD1 3.95Å; I174-I231 HydrophobicContact CD1-CG1 3.73Å
175S96.4Very high97.5Very high94 Ų9447.6 Ų47.666%0.65727%0.265SS*.Hα-helixtrans-60.3-39.9173.7-171.90000112.2T173 N178T173-S175 PolarHBondContact O-N 2.98Å; S175-N178 PolarHBondContact O-N 3.13Å
176A98Very high97.5Very high41 Ų4148.8 Ų48.834%0.33927%0.27SS..Hα-helixtrans-72.7-33.1177.100000112V171 T173 I174 N178 S179V171-A176 HydrophobicContact CG2-CB 3.73Å; T173-A176 WeakPolarHBondContact O-CB 3.32Å; T173-A176 PolarHBondContact O-N 2.98Å; T173-A176 VanDerWaalsContact OG1-CB 3.29Å; T173-A176 WeakPolarHBondContact OG1-CB 3.31Å; T173-A176 PolarHBondContact OG1-N 2.81Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3.39Å; A176-N178 PolarHBondContact O-N 3.25Å; A176-S179 WeakPolarHBondContact O-CB 3.22Å; A176-S179 PolarHBondContact O-N 2.87Å
177M98.3Very high97.4Very high1 Ų151.2 Ų51.21%0.00529%0.287CS..Hα-helixtrans-59.3-35.4173.6-62.8175.8-169.400112V42 F161 V171 T173 I174 S179 L180 L195 F225V42-M177 HydrophobicContact CG2-CB 3.76Å; F161-M177 HydrophobicContact CE2-CE 4.39Å; F161-M177 HydrophobicContact CE2-SD 3.71Å; F161-M177 HydrophobicContact CZ-CE 3.95Å; F161-M177 HydrophobicContact CZ-SD 3.59Å; F161-M177 VanDerWaalsContact CZ-SD 3.59Å; V171-M177 HydrophobicContact CB-CG 4.37Å; V171-M177 HydrophobicContact CG1-CE 4.25Å; V171-M177 HydrophobicContact CG1-CG 3.9Å; V171-M177 HydrophobicContact CG2-CB 4.32Å; V171-M177 HydrophobicContact CG2-CG 3.52Å; T173-M177 WeakPolarHBondContact O-CG 3.35Å; T173-M177 PolarHBondContact O-N 3.44Å; I174-M177 HydrophobicContact CG1-SD 4.43Å; I174-M177 WeakPolarHBondContact O-CB 3.18Å; I174-M177 PolarHBondContact O-N 3.25Å; M177-S179 PolarHBondContact O-N 3.3Å; M177-L180 HydrophobicContact CB-CD1 4.45Å; M177-L180 WeakPolarHBondContact O-CB 3.29Å; M177-L180 WeakPolarHBondContact O-CG 3.48Å; M177-L180 PolarHBondContact O-N 3.16Å; M177-L180 VanDerWaalsContact O-N 3.08Å; M177-L195 HydrophobicContact CE-CD2 3.83Å; M177-L195 HydrophobicContact CG-CD1 4.17Å; M177-L195 HydrophobicContact SD-CD1 4.21Å; M177-L195 HydrophobicContact SD-CD2 3.99Å; M177-F225 HydrophobicContact CE-CE2 3.43Å; M177-F225 VanDerWaalsContact CE-CE2 3.43Å; M177-F225 HydrophobicContact CE-CZ 3.77Å
178N96.6Very high97.1Very high49 Ų4955.6 Ų55.626%0.26231%0.307SS..THydrogen-bonded Turntrans-63.9-17.3176-97.2-27.5000114.2V42 I174 S175 A176V42-N178 WeakPolarHBondContact CB-OD1 3.46Å; V42-N178 PolarHBondContact N-OD1 3.27Å; I174-N178 PolarHBondContact O-N 3.18Å; S175-N178 PolarHBondContact O-N 3.13Å; A176-N178 PolarHBondContact O-N 3.25Å
179S96.9Very high97Very high105 Ų10560.6 Ų60.673%0.73434%0.338SS*.THydrogen-bonded Turntrans-91.6-0.9175.6-56.20000113.8A176 M177A176-S179 WeakPolarHBondContact O-CB 3.22Å; A176-S179 PolarHBondContact O-N 2.87Å; M177-S179 PolarHBondContact O-N 3.3Å
180L97.5Very high96.9Very high39 Ų3960.2 Ų60.220%0.20434%0.339CS..SBendtrans-68.7135.3173.9-63.5174.1000110.2I152 M177 R182 A191 L195I152-L180 HydrophobicContact CD1-CB 4.49Å; I152-L180 HydrophobicContact CD1-CD1 4.46Å; M177-L180 HydrophobicContact CB-CD1 4.45Å; M177-L180 WeakPolarHBondContact O-CB 3.29Å; M177-L180 WeakPolarHBondContact O-CG 3.48Å; M177-L180 PolarHBondContact O-N 3.16Å; M177-L180 VanDerWaalsContact O-N 3.08Å; L180-R182 PolarHBondContact O-N 3.21Å; L180-A191 HydrophobicContact CD1-CB 4.26Å; L180-A191 HydrophobicContact CD2-CB 3.8Å; L180-L195 HydrophobicContact CD1-CD1 3.8Å
181D96.7Very high97Very high108 Ų10856.3 Ų56.358%0.57832%0.32SS*.  trans-74.295.4169.2-17813.2000109.7F183 C184D181-F183 VanDerWaalsContact C-N 3.32Å; D181-F183 PolarHBondContact OD1-N 2.69Å; D181-F183 VanDerWaalsContact OD1-N 3.14Å; D181-C184 PolarHBondContact O-SG 3Å
182R97.3Very high97Very high8 Ų856.4 Ų56.43%0.0332%0.32CS..  trans-76.3-19.3179.775.9175.8-170.4-104.15.2113.6F36 E39 E40 T41 R112 Q148 Y149 M150 I152 L180 C184F36-R182 PolarHBondContact O-NH2 2.86Å; E39-R182 VanDerWaalsContact O-CZ 3.28Å; E39-R182 PolarHBondContact O-NH1 2.77Å; E39-R182 PolarHBondContact O-NH2 3.43Å; E40-R182 PolarHBondContact O-NH1 3.36Å; T41-R182 VanDerWaalsContact CA-NH1 3.25Å; T41-R182 HydrophobicContact CG2-CB 4.17Å; T41-R182 WeakPolarHBondContact OG1-CD 3.21Å; T41-R182 PolarHBondContact OG1-NH1 2.79Å; R112-R182 PolarHBondContact NH1-O 3.14Å; Q148-R182 CarbonylContact O-C 3.58Å; Y149-R182 PolarHBondContact O-NE 3.27Å; Y149-R182 VanDerWaalsContact O-NE 3.12Å; M150-R182 WeakPolarHBondContact O-CD 3.26Å; I152-R182 HydrophobicContact CD1-CB 3.69Å; I152-R182 HydrophobicContact CG1-CB 3.96Å; L180-R182 PolarHBondContact O-N 3.21Å; R182-C184 PolarHBondContact O-N 3.27Å
183F97.8Very high97.2Very high79 Ų7948.8 Ų48.835%0.34629%0.291SS..SBendtrans-80.442.9-171-57.1-70.6000113L37 Q148 Y149 D181L37-F183 HydrophobicContact CD1-CE1 4.21Å; L37-F183 HydrophobicContact CD1-CZ 4.2Å; Q148-F183 WeakPolarHBondContact O-CA 3.5Å; Y149-F183 AromaticContact CD1-CD1 3.64Å; Y149-F183 HydrophobicContact CD1-CD1 3.64Å; Y149-F183 AromaticContact CD1-CE1 3.6Å; Y149-F183 HydrophobicContact CD1-CE1 3.6Å; Y149-F183 HydrophobicContact CE1-CD1 4.02Å; Y149-F183 HydrophobicContact CE1-CE1 4.24Å; Y149-F183 HydrophobicContact CG-CD1 4.09Å; Y149-F183 HydrophobicContact CG-CE1 4.24Å; D181-F183 VanDerWaalsContact C-N 3.32Å; D181-F183 PolarHBondContact OD1-N 2.69Å; D181-F183 VanDerWaalsContact OD1-N 3.14Å
184C97.6Very high97.2Very high39 Ų3946.3 Ų46.326%0.26428%0.276SS..SBendtrans-138.6168.9179.964.60000111.2R112 D181 R182R112-C184 PolarHBondContact NH1-O 2.84Å; R112-C184 PolarHBondContact NH2-O 3.08Å; D181-C184 PolarHBondContact O-SG 3Å; R182-C184 PolarHBondContact O-N 3.27Å
185E97.2Very high97.2Very high56 Ų5645.3 Ų45.326%0.26227%0.271SS..PPolyproline II helixtrans-62149.2164.6-73.8-61.6150.700110.2C117 R118 Q148 P187C117-E185 WeakPolarHBondContact CB-OE2 3.24Å; R118-E185 WeakPolarHBondContact CD-OE1 3.43Å; R118-E185 WeakPolarHBondContact CG-OE1 3.46Å; R118-E185 PolarHBondContact N-OE2 3.16Å; R118-E185 VanDerWaalsContact N-OE2 3.09Å; R118-E185 IonicContact NE-OE1 2.75Å; R118-E185 PolarHBondContact NE-OE1 3.12Å; Q148-E185 PolarHBondContact NE2-OE1 3.28Å; E185-P187 WeakPolarHBondContact O-CD 3.42Å; E185-P187 VanDerWaalsContact O-N 3.14Å
186I97.6Very high97.4Very high24 Ų2440.8 Ų40.812%0.12324%0.239CC..PPolyproline II helixtrans-60.8119.5179.1-56.3174.1000108.3C117 F192 A193 L196C117-I186 HydrophobicContact CB-CB 4.31Å; C117-I186 HydrophobicContact CB-CD1 3.66Å; C117-I186 HydrophobicContact CB-CG1 3.86Å; I186-F192 HydrophobicContact CG1-CZ 4.46Å; I186-A193 HydrophobicContact CG2-CB 4.49Å; I186-L196 HydrophobicContact CD1-CD1 3.51Å; I186-L196 HydrophobicContact CG1-CD1 3.94Å; I186-L196 HydrophobicContact CG2-CD1 4.35Å
187P96.6Very high97.4Very high52 Ų5240.6 Ų40.634%0.33823%0.23SC..PPolyproline II helixtrans-62.6162.8176.5-22.434.6000111.6E185 T189 F192 A193E185-P187 WeakPolarHBondContact O-CD 3.42Å; E185-P187 VanDerWaalsContact O-N 3.14Å; P187-T189 VanDerWaalsContact C-N 3.33Å; P187-F192 HydrophobicContact CG-CB 4.49Å; P187-F192 HydrophobicContact CG-CD1 4.3Å; P187-A193 VanDerWaalsContact O-CB 3.24Å; P187-A193 WeakPolarHBondContact O-CB 3.42Å
188Q92.7Very high97.4Very high93 Ų9340.6 Ų40.644%0.43523%0.23SC..SBendtrans-71-31.2175.1-174.158.535.300112.6G212 S213Q188-G212 PolarHBondContact NE2-O 3.47Å; Q188-S213 PolarHBondContact O-OG 3.44Å
189T95.9Very high97.5Very high109 Ų10938.6 Ų38.667%0.66922%0.219SC*.SBendtrans-144.3161.6-173.3580000111.1P187P187-T189 VanDerWaalsContact C-N 3.33Å
190G97Very high97.6Very high24 Ų2433.8 Ų33.825%0.24719%0.186CC..SBendtrans98.7176.617400000112.3F192 A193 D194G190-F192 VanDerWaalsContact C-N 3.28Å; G190-F192 PolarHBondContact O-N 2.86Å; G190-A193 WeakPolarHBondContact O-CB 3.43Å; G190-A193 PolarHBondContact O-N 2.82Å; G190-D194 PolarHBondContact O-N 3.29Å
191A98.1Very high97.6Very high15 Ų1535.6 Ų35.612%0.12420%0.195CC..Hα-helixtrans-44.7-46.4-168.900000115N170 V171 L180 D194 L195N170-A191 HydrophobicContact CB-CB 3.99Å; V171-A191 HydrophobicContact CB-CB 3.78Å; V171-A191 HydrophobicContact CG1-CB 3.53Å; L180-A191 HydrophobicContact CD1-CB 4.26Å; L180-A191 HydrophobicContact CD2-CB 3.8Å; A191-D194 PolarHBondContact O-N 3.47Å; A191-L195 VanDerWaalsContact O-CG 3.29Å; A191-L195 WeakPolarHBondContact O-CG 3.47Å; A191-L195 PolarHBondContact O-N 3.06Å; A191-L195 VanDerWaalsContact O-N 3.15Å
192F98.3Very high97.6Very high11 Ų1138 Ų385%0.04820%0.203CC..Hα-helixtrans-65-48.2179.1-173.2-176.5000111.9I152 I186 P187 G190 D194 L195 L196I152-F192 HydrophobicContact CD1-CD1 4.44Å; I152-F192 HydrophobicContact CD1-CD2 3.45Å; I152-F192 VanDerWaalsContact CD1-CD2 3.45Å; I152-F192 HydrophobicContact CD1-CE1 4.37Å; I152-F192 HydrophobicContact CD1-CE2 3.39Å; I152-F192 HydrophobicContact CD1-CG 4.03Å; I152-F192 HydrophobicContact CD1-CZ 3.87Å; I152-F192 HydrophobicContact CG1-CD2 4.1Å; I152-F192 HydrophobicContact CG1-CE2 3.61Å; I152-F192 HydrophobicContact CG1-CZ 4.13Å; I152-F192 HydrophobicContact CG2-CD2 4.42Å; I152-F192 HydrophobicContact CG2-CE2 4.43Å; I186-F192 HydrophobicContact CG1-CZ 4.46Å; P187-F192 HydrophobicContact CG-CB 4.49Å; P187-F192 HydrophobicContact CG-CD1 4.3Å; G190-F192 VanDerWaalsContact C-N 3.28Å; G190-F192 PolarHBondContact O-N 2.86Å; F192-D194 VanDerWaalsContact C-N 3.33Å; F192-D194 PolarHBondContact O-N 2.88Å; F192-L195 PolarHBondContact O-N 3.07Å; F192-L196 HydrophobicContact CD2-CD1 4.14Å; F192-L196 HydrophobicContact CD2-CG 4.37Å; F192-L196 HydrophobicContact CE2-CD1 3.6Å; F192-L196 HydrophobicContact CE2-CG 4.23Å
193A98.3Very high97.7Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-60.3-45.4177.100000111.1I186 P187 G190 L195 L196 W197I186-A193 HydrophobicContact CG2-CB 4.49Å; P187-A193 VanDerWaalsContact O-CB 3.24Å; P187-A193 WeakPolarHBondContact O-CB 3.42Å; G190-A193 WeakPolarHBondContact O-CB 3.43Å; G190-A193 PolarHBondContact O-N 2.82Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 2.62Å; A193-L196 PolarHBondContact O-N 3.06Å; A193-W197 WeakPolarHBondContact O-CB 3.24Å; A193-W197 VanDerWaalsContact O-CD1 3.25Å; A193-W197 PolarHBondContact O-N 2.84Å
194D98.7Very high97.4Very high3 Ų343.4 Ų43.42%0.01623%0.231CC..Hα-helixtrans-57.3-45.2-178.5-56.4-19.3000112.2S168 N170 G190 A191 F192 L196 W197 S198 W215S168-D194 VanDerWaalsContact CB-CB 3.46Å; S168-D194 WeakPolarHBondContact OG-CB 3.47Å; S168-D194 PolarHBondContact OG-OD2 3.03Å; N170-D194 PolarHBondContact ND2-OD2 2.87Å; G190-D194 PolarHBondContact O-N 3.29Å; A191-D194 PolarHBondContact O-N 3.47Å; F192-D194 VanDerWaalsContact C-N 3.33Å; F192-D194 PolarHBondContact O-N 2.88Å; D194-L196 PolarHBondContact O-N 3.28Å; D194-L196 VanDerWaalsContact O-N 3.1Å; D194-W197 PolarHBondContact O-N 3.38Å; D194-S198 WeakPolarHBondContact O-CB 3.32Å; D194-S198 PolarHBondContact O-N 3.47Å; D194-S198 PolarHBondContact O-OG 3.44Å; D194-W215 VanDerWaalsContact CG-CD1 3.48Å; D194-W215 PolarHBondContact OD1-NE1 3.48Å
195L98.8Very high97.4Very high1 Ų144.6 Ų44.61%0.00524%0.235CC..Hα-helixtrans-58.5-28.6179.2-69.4171000112.7I152 F161 V163 G165 G166 V171 M177 L180 A191 F192 A193I152-L195 HydrophobicContact CG2-CB 4.02Å; I152-L195 HydrophobicContact CG2-CD1 3.75Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; V163-L195 HydrophobicContact CG2-CB 4.12Å; V163-L195 HydrophobicContact CG2-CD2 4.44Å; V163-L195 VanDerWaalsContact CG2-O 3.23Å; V163-L195 WeakPolarHBondContact CG2-O 3.49Å; G165-L195 CarbonylContact C-O 3.48Å; G165-L195 VanDerWaalsContact CA-O 3.24Å; G165-L195 WeakPolarHBondContact CA-O 3.35Å; G165-L195 PolarHBondContact N-O 3.45Å; G166-L195 PolarHBondContact N-O 3.25Å; G166-L195 WeakPolarHBondContact O-CD2 3.28Å; V171-L195 HydrophobicContact CG1-CD1 4.22Å; V171-L195 HydrophobicContact CG1-CD2 4.44Å; V171-L195 HydrophobicContact CG1-CG 4.37Å; M177-L195 HydrophobicContact CE-CD2 3.83Å; M177-L195 HydrophobicContact CG-CD1 4.17Å; M177-L195 HydrophobicContact SD-CD1 4.21Å; M177-L195 HydrophobicContact SD-CD2 3.99Å; L180-L195 HydrophobicContact CD1-CD1 3.8Å; A191-L195 VanDerWaalsContact O-CG 3.29Å; A191-L195 WeakPolarHBondContact O-CG 3.47Å; A191-L195 PolarHBondContact O-N 3.06Å; A191-L195 VanDerWaalsContact O-N 3.15Å; F192-L195 PolarHBondContact O-N 3.07Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 2.62Å
196L98.8Very high97.5Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-99.1-14.2-176.9-56.4-169.2000114.1R112 N114 I152 H164 I186 F192 A193 D194R112-L196 HydrophobicContact CG-CD1 4.35Å; R112-L196 WeakPolarHBondContact O-CD2 3.29Å; N114-L196 HydrophobicContact CB-CB 4.29Å; I152-L196 HydrophobicContact CG2-CD2 4.13Å; H164-L196 HydrophobicContact CB-CD2 4.05Å; H164-L196 PolarHBondContact CD2-O 3.44Å; I186-L196 HydrophobicContact CD1-CD1 3.51Å; I186-L196 HydrophobicContact CG1-CD1 3.94Å; I186-L196 HydrophobicContact CG2-CD1 4.35Å; F192-L196 HydrophobicContact CD2-CD1 4.14Å; F192-L196 HydrophobicContact CD2-CG 4.37Å; F192-L196 HydrophobicContact CE2-CD1 3.6Å; F192-L196 HydrophobicContact CE2-CG 4.23Å; A193-L196 PolarHBondContact O-N 3.06Å; D194-L196 PolarHBondContact O-N 3.28Å; D194-L196 VanDerWaalsContact O-N 3.1Å
197W98.7Very high97.5Very high37 Ų3747.8 Ų47.814%0.1425%0.249CC..Hα-helixtrans-124.1-14.1-172.8-73.796.2000114.8N114 I120 A193 D194 R211N114-W197 HydrophobicContact CB-CD2 3.92Å; N114-W197 VanDerWaalsContact CB-CE2 3.48Å; N114-W197 HydrophobicContact CB-CE3 4.49Å; N114-W197 HydrophobicContact CB-CG 4.34Å; N114-W197 HydrophobicContact CB-CH2 4.32Å; N114-W197 HydrophobicContact CB-CZ2 3.71Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.34Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.33Å; N114-W197 WeakPolarHBondContact ND2-CZ3 3.34Å; I120-W197 HydrophobicContact CD1-CH2 3.6Å; I120-W197 HydrophobicContact CD1-CZ2 3.67Å; I120-W197 HydrophobicContact CG1-CH2 4Å; I120-W197 HydrophobicContact CG1-CZ2 3.7Å; A193-W197 WeakPolarHBondContact O-CB 3.24Å; A193-W197 VanDerWaalsContact O-CD1 3.25Å; A193-W197 PolarHBondContact O-N 2.84Å; D194-W197 PolarHBondContact O-N 3.38Å; W197-R211 HydrophobicContact CE3-CB 4.13Å; W197-R211 HydrophobicContact CZ3-CB 4.45Å
198S98.8Very high97.5Very high0 Ų053.4 Ų53.40%027%0.271CS..  trans-71.3148.4-179.3-690000112.5G165 G166 I167 D194 W215 R236G165-S198 CarbonylContact C-O 3.5Å; G165-S198 WeakPolarHBondContact CA-O 3.49Å; G166-S198 PolarHBondContact N-O 2.81Å; I167-S198 VanDerWaalsContact O-CB 3.26Å; I167-S198 WeakPolarHBondContact O-CB 3.11Å; I167-S198 PolarHBondContact O-OG 2.88Å; D194-S198 WeakPolarHBondContact O-CB 3.32Å; D194-S198 PolarHBondContact O-N 3.47Å; D194-S198 PolarHBondContact O-OG 3.44Å; S198-W215 CarbonylContact C-O 3.58Å; S198-W215 WeakPolarHBondContact CA-O 3.41Å; S198-W215 WeakPolarHBondContact CB-O 3.3Å; S198-W215 PolarHBondContact OG-N 3.3Å; S198-W215 PolarHBondContact OG-O 3.02Å; S198-R236 PolarHBondContact O-NH2 2.82Å
199D98.8Very high97.7Very high7 Ų749.5 Ų49.54%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-129.1140.5-178.7-79.5-34.5000111.9R211 W215 L216 F217 R236 H238 Q239D199-R211 IonicContact OD1-CZ 2.6Å; D199-R211 IonicContact OD1-NE 3.12Å; D199-R211 IonicContact OD1-NH2 3.96Å; D199-R211 PolarHBondContact OD1-NH2 3.26Å; D199-R211 VanDerWaalsContact OD1-NH2 3.16Å; D199-R211 IonicContact OD2-CZ 2.74Å; D199-R211 IonicContact OD2-NE 3.76Å; D199-R211 PolarHBondContact OD2-NE 2.87Å; D199-R211 IonicContact OD2-NH2 3.63Å; D199-R211 PolarHBondContact OD2-NH2 2.64Å; D199-W215 PolarHBondContact N-O 2.86Å; D199-L216 HydrophobicContact CB-CD2 4Å; D199-L216 CarbonylContact O-C 3.58Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.32Å; D199-F217 VanDerWaalsContact C-CD1 3.41Å; D199-F217 WeakPolarHBondContact O-CD1 3.41Å; D199-F217 WeakPolarHBondContact O-CE1 3.48Å; D199-F217 PolarHBondContact O-N 3.39Å; D199-R236 IonicContact OD1-CZ 3.27Å; D199-R236 IonicContact OD1-NH1 3.53Å; D199-R236 IonicContact OD1-NH2 3.85Å; D199-R236 PolarHBondContact OD1-NH2 3.03Å; D199-H238 IonicContact OD1-CD2 3.9Å; D199-H238 PolarHBondContact OD1-CD2 3.26Å; D199-H238 VanDerWaalsContact OD1-CD2 3.29Å; D199-Q239 HydrophobicContact CB-CG 4.5Å; D199-Q239 VanDerWaalsContact OD1-CD 3.31Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.47Å
200P98.6Very high97.7Very high5 Ų549.9 Ų49.93%0.03226%0.258CS..EExtended strand (participates in β ladder)trans-67.7141165.729.8-34.6000110.9F217 Q239 L248 W249 L253P200-F217 VanDerWaalsContact CA-O 3.31Å; P200-F217 WeakPolarHBondContact CA-O 3.37Å; P200-F217 HydrophobicContact CB-CD2 4.46Å; P200-F217 HydrophobicContact CB-CE1 4.37Å; P200-F217 HydrophobicContact CB-CE2 3.84Å; P200-F217 HydrophobicContact CB-CZ 3.79Å; P200-F217 HydrophobicContact CG-CZ 4.21Å; P200-F217 VanDerWaalsContact N-CE1 3.27Å; P200-Q239 VanDerWaalsContact CD-OE1 3.29Å; P200-L248 HydrophobicContact CB-CD1 3.74Å; P200-L248 HydrophobicContact CG-CD1 3.92Å; P200-W249 HydrophobicContact CB-CH2 3.54Å; P200-W249 HydrophobicContact CB-CZ2 4.15Å; P200-W249 HydrophobicContact CB-CZ3 4.24Å; P200-L253 HydrophobicContact CB-CD1 4.04Å; P200-L253 HydrophobicContact CG-CD1 4.14Å; P200-L253 HydrophobicContact CG-CD2 4.14Å
201D98.2Very high97.5Very high76 Ų7653.3 Ų53.341%0.40626%0.264SS..  trans-154.7173.9174.4-148.6-26.8000110.9V203 L216 F217D201-V203 HydrophobicContact CB-CG1 4.47Å; D201-V203 PolarHBondContact O-N 3.09Å; D201-L216 HydrophobicContact CB-CB 4.16Å; D201-L216 HydrophobicContact CB-CD1 4.25Å; D201-L216 HydrophobicContact CB-CD2 4.21Å; D201-L216 HydrophobicContact CB-CG 4.42Å; D201-F217 PolarHBondContact N-O 3.07Å
202E96.7Very high97.3Very high158 Ų15855.2 Ų55.274%0.73829%0.285SS*.SBendtrans-80.661.9176.8-65.5-62.7155.600111.6
203V98Very high97.2Very high23 Ų2355.1 Ų55.114%0.13929%0.285CS..  trans-114.1164.4173.5-58.70000110.8D201 E207 L216 G218D201-V203 HydrophobicContact CB-CG1 4.47Å; D201-V203 PolarHBondContact O-N 3.09Å; V203-E207 HydrophobicContact CB-CG 4.03Å; V203-E207 HydrophobicContact CG1-CB 4.16Å; V203-E207 VanDerWaalsContact CG1-CD 3.48Å; V203-E207 HydrophobicContact CG1-CG 3.95Å; V203-L216 HydrophobicContact CG1-CB 4.32Å; V203-L216 HydrophobicContact CG1-CD1 4.46Å; V203-L216 HydrophobicContact CG2-CB 4.33Å; V203-G218 VanDerWaalsContact CG2-N 3.3Å; V203-G218 WeakPolarHBondContact O-CA 3.33Å
204E93.2Very high97.2Very high178 Ų17855.7 Ų55.783%0.83229%0.291SS*.SBendtrans-74.8-46-177.6-172.3-179.4169.900112.7
205D96.7Very high97.1Very high64 Ų6459 Ų5934%0.34230%0.303SS..SBendtrans-135.4-96.2-179.2-173.625.9000110.8F217 G218 A221 R224D205-F217 CarbonylContact O-C 3.54Å; D205-F217 VanDerWaalsContact O-CA 3.28Å; D205-F217 WeakPolarHBondContact O-CA 3.28Å; D205-G218 PolarHBondContact O-N 2.62Å; D205-A221 WeakPolarHBondContact O-CB 3.35Å; D205-A221 VanDerWaalsContact OD1-CB 3.3Å; D205-A221 WeakPolarHBondContact OD1-CB 3.45Å; D205-R224 IonicContact OD1-CZ 3.51Å; D205-R224 IonicContact OD1-NH2 2.71Å; D205-R224 PolarHBondContact OD1-NH2 3.08Å; D205-R224 IonicContact OD2-NH2 3.32Å
206F98.4Very high97.1Very high44 Ų4459.9 Ų59.919%0.19331%0.308CS..EExtended strand (participates in β ladder)trans-125.2138.3174.7-71-86.4000110.2I167 P169 W215 L216 F217 A221I167-F206 HydrophobicContact CD1-CE1 4.29Å; I167-F206 HydrophobicContact CD1-CZ 3.89Å; I167-F206 HydrophobicContact CG1-CE1 3.97Å; I167-F206 HydrophobicContact CG1-CZ 3.98Å; P169-F206 HydrophobicContact CB-CD1 4.27Å; P169-F206 HydrophobicContact CB-CD2 3.84Å; P169-F206 HydrophobicContact CB-CE1 4.38Å; P169-F206 HydrophobicContact CB-CE2 3.97Å; P169-F206 HydrophobicContact CB-CG 3.99Å; P169-F206 HydrophobicContact CB-CZ 4.23Å; P169-F206 HydrophobicContact CG-CD1 4.12Å; P169-F206 HydrophobicContact CG-CE1 4.38Å; P169-F206 HydrophobicContact CG-CG 4.18Å; F206-W215 HydrophobicContact CB-CD2 4.47Å; F206-W215 HydrophobicContact CB-CE3 3.97Å; F206-W215 HydrophobicContact CD1-CB 3.82Å; F206-W215 HydrophobicContact CD1-CG 4.24Å; F206-L216 CarbonylContact C-O 3.57Å; F206-L216 VanDerWaalsContact CA-O 3.27Å; F206-L216 WeakPolarHBondContact CA-O 3.34Å; F206-F217 HydrophobicContact CD1-CB 3.64Å; F206-F217 HydrophobicContact CE1-CB 3.56Å; F206-F217 HydrophobicContact CE1-CG 4.43Å; F206-F217 HydrophobicContact CG-CB 4.49Å; F206-F217 HydrophobicContact CZ-CB 4.35Å; F206-A221 HydrophobicContact CD2-CB 4.04Å; F206-A221 HydrophobicContact CE1-CB 4.4Å; F206-A221 HydrophobicContact CE2-CB 3.58Å; F206-A221 HydrophobicContact CZ-CB 3.79Å
207E98.3Very high97.1Very high104 Ų10459.9 Ų59.949%0.48631%0.308SS..EExtended strand (participates in β ladder)trans-133.5160.1173.9-68.8-172.1-16300111.2V203 S209 W215 L216V203-E207 HydrophobicContact CB-CG 4.03Å; V203-E207 HydrophobicContact CG1-CB 4.16Å; V203-E207 VanDerWaalsContact CG1-CD 3.48Å; V203-E207 HydrophobicContact CG1-CG 3.95Å; E207-S209 PolarHBondContact O-N 3.36Å; E207-W215 CarbonylContact O-C 3.48Å; E207-W215 WeakPolarHBondContact O-CA 3.33Å; E207-L216 HydrophobicContact CB-CB 4.35Å; E207-L216 PolarHBondContact N-O 2.86Å; E207-L216 PolarHBondContact O-N 2.79Å
208E96.2Very high97.1Very high169 Ų16958.1 Ų58.179%0.7930%0.301SS*.EExtended strand (participates in β ladder)trans-60.9130.8179.7-70-173.5172.100111.1
209S97.3Very high97.1Very high12 Ų1262.6 Ų62.68%0.08432%0.318CS..  trans-76.1134.6178.9179.40000111.7E207 R211 G212 S213 G214E207-S209 PolarHBondContact O-N 3.36Å; S209-R211 PolarHBondContact O-N 3.25Å; S209-R211 WeakPolarHBondContact OG-CB 3.33Å; S209-R211 WeakPolarHBondContact OG-CG 3.32Å; S209-R211 PolarHBondContact OG-N 3.43Å; S209-R211 VanDerWaalsContact OG-N 3.16Å; S209-G212 PolarHBondContact O-N 2.74Å; S209-G212 VanDerWaalsContact O-N 3.08Å; S209-S213 WeakPolarHBondContact CB-O 3.45Å; S209-S213 PolarHBondContact OG-O 3.01Å; S209-G214 VanDerWaalsContact CB-O 3.3Å; S209-G214 WeakPolarHBondContact CB-O 3.21Å
210P96.1Very high97.1Very high116 Ų11663.2 Ų63.275%0.75333%0.326SS*.THydrogen-bonded Turntrans-64.2-9.9171.128.7-35.1000112.7G212P210-G212 PolarHBondContact O-N 2.65Å
211R93.6Very high97.1Very high97 Ų9763.1 Ų63.137%0.36633%0.326SS..THydrogen-bonded Turntrans-70.3-15.2172.9-60.2-172.2-175.9-110.910.6113.4W197 D199 S209 S213 H238W197-R211 HydrophobicContact CE3-CB 4.13Å; W197-R211 HydrophobicContact CZ3-CB 4.45Å; D199-R211 IonicContact OD1-CZ 2.6Å; D199-R211 IonicContact OD1-NE 3.12Å; D199-R211 IonicContact OD1-NH2 3.96Å; D199-R211 PolarHBondContact OD1-NH2 3.26Å; D199-R211 VanDerWaalsContact OD1-NH2 3.16Å; D199-R211 IonicContact OD2-CZ 2.74Å; D199-R211 IonicContact OD2-NE 3.76Å; D199-R211 PolarHBondContact OD2-NE 2.87Å; D199-R211 IonicContact OD2-NH2 3.63Å; D199-R211 PolarHBondContact OD2-NH2 2.64Å; S209-R211 PolarHBondContact O-N 3.25Å; S209-R211 WeakPolarHBondContact OG-CB 3.33Å; S209-R211 WeakPolarHBondContact OG-CG 3.32Å; S209-R211 PolarHBondContact OG-N 3.43Å; S209-R211 VanDerWaalsContact OG-N 3.16Å; R211-S213 PolarHBondContact O-N 2.89Å; R211-H238 WeakPolarHBondContact CD-NE2 3.37Å; R211-H238 PolarHBondContact NE-NE2 3.3Å; R211-H238 PolarHBondContact NH1-CE1 2.7Å; R211-H238 PolarHBondContact NH1-NE2 2.91Å; R211-H238 VanDerWaalsContact NH1-NE2 3.18Å; R211-H238 PolarHBondContact NH2-CD2 3.1Å; R211-H238 PolarHBondContact NH2-O 3.49Å
212G93.4Very high97.1Very high55 Ų5559.5 Ų59.557%0.56731%0.306SS*.SBendtrans74.68.3-174.400000114.3Q188 S209 P210Q188-G212 PolarHBondContact NE2-O 3.47Å; S209-G212 PolarHBondContact O-N 2.74Å; S209-G212 VanDerWaalsContact O-N 3.08Å; P210-G212 PolarHBondContact O-N 2.65Å
213S95.7Very high97.2Very high9 Ų955.2 Ų55.26%0.06329%0.286CS..SBendtrans-152.9154.6169.2-1670000108.7Q188 S209 R211Q188-S213 PolarHBondContact O-OG 3.44Å; S209-S213 WeakPolarHBondContact CB-O 3.45Å; S209-S213 PolarHBondContact OG-O 3.01Å; R211-S213 PolarHBondContact O-N 2.89Å
214G97.3Very high97.2Very high11 Ų1159.2 Ų59.211%0.11330%0.299CS..SBendtrans64.4-165.8-171.300000113.6S209S209-G214 VanDerWaalsContact CB-O 3.3Å; S209-G214 WeakPolarHBondContact CB-O 3.21Å
215W98.5Very high97.4Very high74 Ų7451.2 Ų51.228%0.2826%0.261SS..EExtended strand (participates in β ladder)trans-133.4150.3-171.9-61.480.1000111.3P169 D194 S198 D199 F206 E207P169-W215 VanDerWaalsContact CD-CD1 3.46Å; P169-W215 HydrophobicContact CG-CD2 3.83Å; P169-W215 HydrophobicContact CG-CG 3.96Å; P169-W215 HydrophobicContact CG-CZ2 4.14Å; D194-W215 VanDerWaalsContact CG-CD1 3.48Å; D194-W215 PolarHBondContact OD1-NE1 3.48Å; S198-W215 CarbonylContact C-O 3.58Å; S198-W215 WeakPolarHBondContact CA-O 3.41Å; S198-W215 WeakPolarHBondContact CB-O 3.3Å; S198-W215 PolarHBondContact OG-N 3.3Å; S198-W215 PolarHBondContact OG-O 3.02Å; D199-W215 PolarHBondContact N-O 2.86Å; F206-W215 HydrophobicContact CB-CD2 4.47Å; F206-W215 HydrophobicContact CB-CE3 3.97Å; F206-W215 HydrophobicContact CD1-CB 3.82Å; F206-W215 HydrophobicContact CD1-CG 4.24Å; E207-W215 CarbonylContact O-C 3.48Å; E207-W215 WeakPolarHBondContact O-CA 3.33Å
216L98.8Very high97.5Very high18 Ų1848.7 Ų48.79%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-73.9140.9153.4-57.8-177.4000108D199 D201 V203 F206 E207D199-L216 HydrophobicContact CB-CD2 4Å; D199-L216 CarbonylContact O-C 3.58Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.32Å; D201-L216 HydrophobicContact CB-CB 4.16Å; D201-L216 HydrophobicContact CB-CD1 4.25Å; D201-L216 HydrophobicContact CB-CD2 4.21Å; D201-L216 HydrophobicContact CB-CG 4.42Å; V203-L216 HydrophobicContact CG1-CB 4.32Å; V203-L216 HydrophobicContact CG1-CD1 4.46Å; V203-L216 HydrophobicContact CG2-CB 4.33Å; F206-L216 CarbonylContact C-O 3.57Å; F206-L216 VanDerWaalsContact CA-O 3.27Å; F206-L216 WeakPolarHBondContact CA-O 3.34Å; E207-L216 HydrophobicContact CB-CB 4.35Å; E207-L216 PolarHBondContact N-O 2.86Å; E207-L216 PolarHBondContact O-N 2.79Å
217F98.8Very high97.5Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-13514117566.9-90.6000112.8I167 D199 P200 D201 D205 F206 A221 A222 W249 L253I167-F217 HydrophobicContact CD1-CB 4.32Å; I167-F217 HydrophobicContact CD1-CD2 3.68Å; I167-F217 HydrophobicContact CD1-CE2 4.17Å; I167-F217 HydrophobicContact CD1-CG 4.03Å; I167-F217 HydrophobicContact CG1-CB 4.11Å; I167-F217 HydrophobicContact CG1-CD1 3.9Å; I167-F217 HydrophobicContact CG1-CD2 3.58Å; I167-F217 HydrophobicContact CG1-CE1 4.19Å; I167-F217 HydrophobicContact CG1-CE2 3.88Å; I167-F217 HydrophobicContact CG1-CG 3.58Å; I167-F217 HydrophobicContact CG1-CZ 4.18Å; D199-F217 VanDerWaalsContact C-CD1 3.41Å; D199-F217 WeakPolarHBondContact O-CD1 3.41Å; D199-F217 WeakPolarHBondContact O-CE1 3.48Å; D199-F217 PolarHBondContact O-N 3.39Å; P200-F217 VanDerWaalsContact CA-O 3.31Å; P200-F217 WeakPolarHBondContact CA-O 3.37Å; P200-F217 HydrophobicContact CB-CD2 4.46Å; P200-F217 HydrophobicContact CB-CE1 4.37Å; P200-F217 HydrophobicContact CB-CE2 3.84Å; P200-F217 HydrophobicContact CB-CZ 3.79Å; P200-F217 HydrophobicContact CG-CZ 4.21Å; P200-F217 VanDerWaalsContact N-CE1 3.27Å; D201-F217 PolarHBondContact N-O 3.07Å; D205-F217 CarbonylContact O-C 3.54Å; D205-F217 VanDerWaalsContact O-CA 3.28Å; D205-F217 WeakPolarHBondContact O-CA 3.28Å; F206-F217 HydrophobicContact CD1-CB 3.64Å; F206-F217 HydrophobicContact CE1-CB 3.56Å; F206-F217 HydrophobicContact CE1-CG 4.43Å; F206-F217 HydrophobicContact CG-CB 4.49Å; F206-F217 HydrophobicContact CZ-CB 4.35Å; F217-A221 HydrophobicContact CB-CB 4.16Å; F217-A222 HydrophobicContact CD2-CB 4.44Å; F217-A222 HydrophobicContact CE2-CB 4.48Å; F217-W249 HydrophobicContact CD2-CH2 4.01Å; F217-W249 HydrophobicContact CD2-CZ3 4.35Å; F217-W249 AromaticContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CZ3 4Å; F217-L253 HydrophobicContact CE2-CD1 3.76Å; F217-L253 HydrophobicContact CZ-CD1 3.81Å
218G98.6Very high97.5Very high0 Ų053.5 Ų53.50%027%0.274CS..  trans-96.5177-174.300000114.4V203 D205 G220 A221 A222V203-G218 VanDerWaalsContact CG2-N 3.3Å; V203-G218 WeakPolarHBondContact O-CA 3.33Å; D205-G218 PolarHBondContact O-N 2.62Å; G218-G220 VanDerWaalsContact C-N 3.25Å; G218-G220 PolarHBondContact O-N 2.98Å; G218-A221 PolarHBondContact O-N 3.42Å; G218-A222 PolarHBondContact O-N 2.86Å
219R98.5Very high97.6Very high95 Ų9547.1 Ų47.136%0.35825%0.245SC..Hα-helixtrans-52.6-43.5173.9-177.9172.5178.9138.29.7112.3A222 E223 W249 D250R219-A222 PolarHBondContact O-N 3.3Å; R219-E223 HydrophobicContact CG-CG 4.22Å; R219-E223 IonicContact CZ-OE1 3.96Å; R219-E223 VanDerWaalsContact CZ-OE1 3.27Å; R219-E223 IonicContact NE-OE1 3.23Å; R219-E223 PolarHBondContact NE-OE1 2.89Å; R219-E223 IonicContact NE-OE2 2.82Å; R219-E223 IonicContact NH2-OE1 2.87Å; R219-E223 PolarHBondContact NH2-OE1 2.99Å; R219-E223 WeakPolarHBondContact O-CB 3.33Å; R219-E223 WeakPolarHBondContact O-CG 3.32Å; R219-E223 PolarHBondContact O-N 2.9Å; R219-W249 HydrophobicContact CB-CD2 3.95Å; R219-W249 HydrophobicContact CB-CG 3.87Å; R219-W249 HydrophobicContact CB-CZ2 4.49Å; R219-W249 HydrophobicContact CG-CB 4.02Å; R219-W249 HydrophobicContact CG-CD2 4.23Å; R219-W249 HydrophobicContact CG-CG 3.76Å; R219-D250 IonicContact CZ-OD2 3.27Å; R219-D250 VanDerWaalsContact CZ-OD2 3.32Å; R219-D250 IonicContact NH1-OD2 3.08Å; R219-D250 PolarHBondContact NH1-OD2 3.34Å; R219-D250 VanDerWaalsContact NH1-OD2 3.08Å; R219-D250 IonicContact NH2-OD2 2.86Å; R219-D250 PolarHBondContact NH2-OD2 3.46Å
220G98.1Very high97.6Very high20 Ų2049.5 Ų49.521%0.20627%0.271CS..Hα-helixtrans-63.4-42.9-178.200000112.8G218 R224G218-G220 VanDerWaalsContact C-N 3.25Å; G218-G220 PolarHBondContact O-N 2.98Å; G220-R224 WeakPolarHBondContact O-CG 3.48Å; G220-R224 VanDerWaalsContact O-CZ 3.22Å; G220-R224 PolarHBondContact O-N 2.9Å; G220-R224 VanDerWaalsContact O-N 3.17Å; G220-R224 PolarHBondContact O-NH1 3.36Å
221A98.5Very high97.7Very high3 Ų344.5 Ų44.53%0.02524%0.238CC..Hα-helixtrans-62.4-46.3174.900000111.5I167 D205 F206 F217 G218 R224 F225I167-A221 HydrophobicContact CD1-CB 3.93Å; D205-A221 WeakPolarHBondContact O-CB 3.35Å; D205-A221 VanDerWaalsContact OD1-CB 3.3Å; D205-A221 WeakPolarHBondContact OD1-CB 3.45Å; F206-A221 HydrophobicContact CD2-CB 4.04Å; F206-A221 HydrophobicContact CE1-CB 4.4Å; F206-A221 HydrophobicContact CE2-CB 3.58Å; F206-A221 HydrophobicContact CZ-CB 3.79Å; F217-A221 HydrophobicContact CB-CB 4.16Å; G218-A221 PolarHBondContact O-N 3.42Å; A221-R224 PolarHBondContact O-N 3.27Å; A221-F225 WeakPolarHBondContact O-CB 3.4Å; A221-F225 PolarHBondContact O-N 3.14Å
222A98.6Very high97.8Very high0 Ų042.7 Ų42.70%024%0.24CC..Hα-helixtrans-64.4-46.3-179.700000112.6I167 F217 G218 R219 R224 F225 L226 I234 W249I167-A222 HydrophobicContact CD1-CB 4.5Å; F217-A222 HydrophobicContact CD2-CB 4.44Å; F217-A222 HydrophobicContact CE2-CB 4.48Å; G218-A222 PolarHBondContact O-N 2.86Å; R219-A222 PolarHBondContact O-N 3.3Å; A222-R224 PolarHBondContact O-N 3.27Å; A222-F225 PolarHBondContact O-N 3.39Å; A222-L226 VanDerWaalsContact O-CG 3.27Å; A222-L226 WeakPolarHBondContact O-CG 3.33Å; A222-L226 PolarHBondContact O-N 2.92Å; A222-I234 HydrophobicContact CB-CD1 4.14Å; A222-W249 HydrophobicContact CB-CE3 3.71Å; A222-W249 HydrophobicContact CB-CH2 4.21Å; A222-W249 HydrophobicContact CB-CZ3 3.35Å
223E98.3Very high98.1Very high67 Ų6740.2 Ų40.231%0.31321%0.214SC..Hα-helixtrans-62.4-41178.4-77.2-18016500112R219 L226 Q227 K252R219-E223 HydrophobicContact CG-CG 4.22Å; R219-E223 IonicContact CZ-OE1 3.96Å; R219-E223 VanDerWaalsContact CZ-OE1 3.27Å; R219-E223 IonicContact NE-OE1 3.23Å; R219-E223 PolarHBondContact NE-OE1 2.89Å; R219-E223 IonicContact NE-OE2 2.82Å; R219-E223 IonicContact NH2-OE1 2.87Å; R219-E223 PolarHBondContact NH2-OE1 2.99Å; R219-E223 WeakPolarHBondContact O-CB 3.33Å; R219-E223 WeakPolarHBondContact O-CG 3.32Å; R219-E223 PolarHBondContact O-N 2.9Å; E223-L226 PolarHBondContact O-N 3.43Å; E223-Q227 WeakPolarHBondContact O-CB 3.4Å; E223-Q227 PolarHBondContact O-N 3.31Å; E223-K252 HydrophobicContact CG-CD 3.59Å; E223-K252 VanDerWaalsContact OE1-CE 3.23Å; E223-K252 WeakPolarHBondContact OE1-CE 3.03Å; E223-K252 IonicContact OE1-NZ 3.09Å
224R98.1Very high98.2Very high108 Ų10839.8 Ų39.841%0.40821%0.211SC..Hα-helixtrans-61.8-46.3172.7-77.6-172.4-68.6-83.83.5112D205 G220 A221 A222 L226 Q227 D228D205-R224 IonicContact OD1-CZ 3.51Å; D205-R224 IonicContact OD1-NH2 2.71Å; D205-R224 PolarHBondContact OD1-NH2 3.08Å; D205-R224 IonicContact OD2-NH2 3.32Å; G220-R224 WeakPolarHBondContact O-CG 3.48Å; G220-R224 VanDerWaalsContact O-CZ 3.22Å; G220-R224 PolarHBondContact O-N 2.9Å; G220-R224 VanDerWaalsContact O-N 3.17Å; G220-R224 PolarHBondContact O-NH1 3.36Å; A221-R224 PolarHBondContact O-N 3.27Å; A222-R224 PolarHBondContact O-N 3.27Å; R224-L226 VanDerWaalsContact C-N 3.34Å; R224-L226 PolarHBondContact O-N 3.28Å; R224-Q227 PolarHBondContact O-N 3.42Å; R224-D228 WeakPolarHBondContact O-CB 3.49Å; R224-D228 VanDerWaalsContact O-CG 3.28Å; R224-D228 PolarHBondContact O-N 3.25Å
225F98.6Very high98.3Very high9 Ų939.3 Ų39.34%0.03921%0.206CC..Hα-helixtrans-59.4-45.3178.5177.1-95.4000112.1F161 I167 R172 I174 M177 A221 A222 N229 I234F161-F225 HydrophobicContact CB-CE1 4.18Å; F161-F225 AromaticContact CD1-CE1 3.6Å; F161-F225 HydrophobicContact CD1-CE1 3.6Å; F161-F225 AromaticContact CD1-CZ 3.79Å; F161-F225 HydrophobicContact CD1-CZ 3.79Å; F161-F225 HydrophobicContact CD2-CZ 4.28Å; F161-F225 HydrophobicContact CE1-CE1 4.1Å; F161-F225 AromaticContact CE1-CZ 3.88Å; F161-F225 HydrophobicContact CE1-CZ 3.88Å; F161-F225 HydrophobicContact CE2-CZ 4.36Å; F161-F225 AromaticContact CG-CE1 3.86Å; F161-F225 HydrophobicContact CG-CE1 3.86Å; F161-F225 AromaticContact CG-CZ 3.99Å; F161-F225 HydrophobicContact CG-CZ 3.99Å; F161-F225 HydrophobicContact CZ-CZ 4.17Å; I167-F225 HydrophobicContact CB-CD2 4.49Å; I167-F225 HydrophobicContact CB-CG 4.48Å; I167-F225 HydrophobicContact CD1-CB 4.09Å; I167-F225 HydrophobicContact CG2-CB 4.37Å; I167-F225 HydrophobicContact CG2-CD1 3.73Å; I167-F225 HydrophobicContact CG2-CD2 4.02Å; I167-F225 HydrophobicContact CG2-CE1 3.96Å; I167-F225 HydrophobicContact CG2-CE2 4.25Å; I167-F225 HydrophobicContact CG2-CG 3.75Å; I167-F225 HydrophobicContact CG2-CZ 4.22Å; R172-F225 VanDerWaalsContact O-CD2 3.28Å; R172-F225 WeakPolarHBondContact O-CD2 3.23Å; R172-F225 WeakPolarHBondContact O-CE2 3.35Å; I174-F225 HydrophobicContact CD1-CZ 4.43Å; I174-F225 HydrophobicContact CG1-CZ 4.06Å; M177-F225 HydrophobicContact CE-CE2 3.43Å; M177-F225 VanDerWaalsContact CE-CE2 3.43Å; M177-F225 HydrophobicContact CE-CZ 3.77Å; A221-F225 WeakPolarHBondContact O-CB 3.4Å; A221-F225 PolarHBondContact O-N 3.14Å; A222-F225 PolarHBondContact O-N 3.39Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.43Å; F225-N229 VanDerWaalsContact CE2-ND2 3.32Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.12Å; F225-N229 WeakPolarHBondContact O-CB 3.33Å; F225-N229 PolarHBondContact O-N 3.41Å; F225-N229 PolarHBondContact O-ND2 2.93Å; F225-I234 HydrophobicContact CD1-CD1 4.01Å; F225-I234 HydrophobicContact CD1-CG1 4.14Å; F225-I234 HydrophobicContact CE1-CG1 4.3Å
226L98.6Very high98.3Very high11 Ų1135.8 Ų35.86%0.05819%0.192CC..Hα-helixtrans-60.2-46.5176.7-70.9172.3000111.3A222 E223 R224 N229 G230 I231 I234 K252A222-L226 VanDerWaalsContact O-CG 3.27Å; A222-L226 WeakPolarHBondContact O-CG 3.33Å; A222-L226 PolarHBondContact O-N 2.92Å; E223-L226 PolarHBondContact O-N 3.43Å; R224-L226 VanDerWaalsContact C-N 3.34Å; R224-L226 PolarHBondContact O-N 3.28Å; L226-N229 PolarHBondContact O-N 2.99Å; L226-G230 PolarHBondContact O-N 2.89Å; L226-I231 WeakPolarHBondContact CB-O 3.25Å; L226-I231 HydrophobicContact CD2-CB 3.96Å; L226-I231 HydrophobicContact CD2-CG2 3.56Å; L226-I231 PolarHBondContact O-N 2.89Å; L226-I234 HydrophobicContact CD2-CG1 3.99Å; L226-K252 HydrophobicContact CD1-CB 3.62Å; L226-K252 HydrophobicContact CD1-CD 3.94Å; L226-K252 HydrophobicContact CD1-CG 3.82Å
227Q98.3Very high98.3Very high156 Ų15634.9 Ų34.973%0.72919%0.188SC*.Hα-helixtrans-62.5-49.8178.5-176.8178.46.800112.3E223 R224 N229 G230E223-Q227 WeakPolarHBondContact O-CB 3.4Å; E223-Q227 PolarHBondContact O-N 3.31Å; R224-Q227 PolarHBondContact O-N 3.42Å; Q227-N229 PolarHBondContact O-N 3.19Å; Q227-G230 PolarHBondContact O-N 2.89Å
228D97.9Very high98.3Very high94 Ų9435.3 Ų35.350%0.50319%0.19SC..Hα-helixtrans-62.9-27.2-176.5-74.7-12000112.5R224R224-D228 WeakPolarHBondContact O-CB 3.49Å; R224-D228 VanDerWaalsContact O-CG 3.28Å; R224-D228 PolarHBondContact O-N 3.25Å
229N98.4Very high98.3Very high34 Ų3437.6 Ų37.618%0.18220%0.2CC..Hα-helixtrans-105.4-5.2-176.9-68.1-79000114.2R172 T173 I174 F225 L226 Q227 I231R172-N229 PolarHBondContact O-ND2 3.43Å; T173-N229 WeakPolarHBondContact CA-OD1 3.5Å; I174-N229 HydrophobicContact CD1-CB 3.9Å; I174-N229 HydrophobicContact CG1-CB 4.3Å; I174-N229 WeakPolarHBondContact CG1-OD1 3.36Å; I174-N229 PolarHBondContact N-OD1 3.15Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.43Å; F225-N229 VanDerWaalsContact CE2-ND2 3.32Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.12Å; F225-N229 WeakPolarHBondContact O-CB 3.33Å; F225-N229 PolarHBondContact O-N 3.41Å; F225-N229 PolarHBondContact O-ND2 2.93Å; L226-N229 PolarHBondContact O-N 2.99Å; Q227-N229 PolarHBondContact O-N 3.19Å; N229-I231 VanDerWaalsContact C-N 3.26Å; N229-I231 HydrophobicContact CB-CG1 3.82Å; N229-I231 PolarHBondContact O-N 2.99Å
230G97.6Very high98.3Very high62 Ų6236.3 Ų36.364%0.63920%0.201SC*.THydrogen-bonded Turntrans63.930.7-175.100000113.6L226 Q227L226-G230 PolarHBondContact O-N 2.89Å; Q227-G230 PolarHBondContact O-N 2.89Å
231I97.2Very high98.3Very high12 Ų1235.9 Ų35.96%0.06219%0.194CC..  trans-99.4149.1-179.5-64.7-71.4000108.6V155 G158 S159 F161 I174 L226 N229 M233V155-I231 HydrophobicContact CG1-CD1 3.82Å; G158-I231 WeakPolarHBondContact O-CD1 3.32Å; S159-I231 WeakPolarHBondContact O-CG2 3.38Å; F161-I231 HydrophobicContact CB-CG1 4.48Å; F161-I231 HydrophobicContact CB-CG2 3.84Å; I174-I231 HydrophobicContact CD1-CD1 3.95Å; I174-I231 HydrophobicContact CD1-CG1 3.73Å; L226-I231 WeakPolarHBondContact CB-O 3.25Å; L226-I231 HydrophobicContact CD2-CB 3.96Å; L226-I231 HydrophobicContact CD2-CG2 3.56Å; L226-I231 PolarHBondContact O-N 2.89Å; N229-I231 VanDerWaalsContact C-N 3.26Å; N229-I231 HydrophobicContact CB-CG1 3.82Å; N229-I231 PolarHBondContact O-N 2.99Å; I231-M233 VanDerWaalsContact CG2-O 3.28Å; I231-M233 WeakPolarHBondContact CG2-O 3.33Å
232S96.8Very high98.2Very high58 Ų5840.5 Ų40.541%0.40622%0.216SC..SBendtrans-97.4-30.5178.667.30000113.6S159S159-S232 PolarHBondContact O-N 3.39Å; S159-S232 PolarHBondContact O-OG 3.19Å; S159-S232 VanDerWaalsContact O-OG 3.06Å; S159-S232 PolarHBondContact OG-OG 2.83Å
233M98.4Very high98.2Very high4 Ų446.4 Ų46.42%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-146.9139.9-176.2-175.8-174-74.400112.6S159 Y160 F161 I231 F247 N251 K252 V254 F273 Y281S159-M233 PolarHBondContact O-N 3.26Å; Y160-M233 WeakPolarHBondContact CA-O 3.4Å; Y160-M233 HydrophobicContact CD1-CB 3.86Å; Y160-M233 HydrophobicContact CD1-CG 4.38Å; Y160-M233 HydrophobicContact CD1-SD 4.02Å; Y160-M233 HydrophobicContact CE1-CB 4.18Å; Y160-M233 HydrophobicContact CE1-SD 4.02Å; F161-M233 PolarHBondContact N-O 3.46Å; I231-M233 VanDerWaalsContact CG2-O 3.28Å; I231-M233 WeakPolarHBondContact CG2-O 3.33Å; M233-F247 HydrophobicContact CE-CD1 4.3Å; M233-F247 HydrophobicContact CE-CE1 3.81Å; M233-F247 HydrophobicContact SD-CE1 4.41Å; M233-N251 HydrophobicContact CE-CB 4.15Å; M233-N251 WeakPolarHBondContact CE-O 3.47Å; M233-K252 CarbonylContact C-O 3.56Å; M233-K252 VanDerWaalsContact CA-O 3.31Å; M233-K252 WeakPolarHBondContact CA-O 3.32Å; M233-V254 HydrophobicContact CG-CG1 4.37Å; M233-V254 HydrophobicContact SD-CB 4.15Å; M233-V254 HydrophobicContact SD-CG1 3.62Å; M233-F273 HydrophobicContact SD-CE1 4.42Å; M233-F273 HydrophobicContact SD-CZ 4.03Å; M233-Y281 HydrophobicContact CE-CD1 4.42Å; M233-Y281 HydrophobicContact CE-CE1 3.61Å; M233-Y281 HydrophobicContact CE-CE2 4.33Å; M233-Y281 WeakPolarHBondContact CE-OH 3.47Å
234I98.8Very high98.2Very high0 Ų043.2 Ų43.20%023%0.229CC..EExtended strand (participates in β ladder)trans-90121.8164.8-62.1160.9000108.3F161 I167 A222 F225 L226 R236 K252 L253 V254F161-I234 HydrophobicContact CD1-CG1 4.48Å; F161-I234 HydrophobicContact CD1-CG2 4.37Å; F161-I234 CarbonylContact O-C 3.59Å; F161-I234 WeakPolarHBondContact O-CA 3.49Å; I167-I234 HydrophobicContact CG2-CD1 3.88Å; A222-I234 HydrophobicContact CB-CD1 4.14Å; F225-I234 HydrophobicContact CD1-CD1 4.01Å; F225-I234 HydrophobicContact CD1-CG1 4.14Å; F225-I234 HydrophobicContact CE1-CG1 4.3Å; L226-I234 HydrophobicContact CD2-CG1 3.99Å; I234-R236 HydrophobicContact CG2-CB 4.32Å; I234-R236 HydrophobicContact CG2-CG 4.38Å; I234-K252 PolarHBondContact N-O 2.88Å; I234-L253 HydrophobicContact CB-CB 4.3Å; I234-L253 HydrophobicContact CB-CD1 4.09Å; I234-L253 HydrophobicContact CB-CG 4.1Å; I234-L253 HydrophobicContact CD1-CD1 4.4Å; I234-L253 HydrophobicContact CG2-CD1 3.95Å; I234-L253 HydrophobicContact CG2-CG 4.21Å; I234-L253 CarbonylContact O-C 3.59Å; I234-L253 VanDerWaalsContact O-CA 3.25Å; I234-L253 WeakPolarHBondContact O-CA 3.21Å; I234-V254 PolarHBondContact O-N 3.4Å
235C98.9Very high98.2Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-106.5113.6173.6-56.80000108.7I51 F161 C162 V163 V254I51-C235 HydrophobicContact CD1-CB 3.88Å; I51-C235 HydrophobicContact CG2-CB 4.49Å; F161-C235 PolarHBondContact O-N 3.47Å; C162-C235 VanDerWaalsContact CA-O 3.29Å; C162-C235 WeakPolarHBondContact CA-O 3.32Å; V163-C235 PolarHBondContact N-O 3.09Å; V163-C235 VanDerWaalsContact N-O 3.09Å; C235-V254 HydrophobicContact CB-CG1 4.04Å
236R98.8Very high98.2Very high0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-135.7168-173.36781.259160.29.9113.4V163 G165 S198 D199 I234 Q239 L253 V254 T255 V256V163-R236 HydrophobicContact CG1-CB 4.17Å; V163-R236 VanDerWaalsContact O-CA 3.25Å; V163-R236 WeakPolarHBondContact O-CA 3.44Å; G165-R236 WeakPolarHBondContact O-CB 3.39Å; G165-R236 PolarHBondContact O-NE 2.86Å; G165-R236 PolarHBondContact O-NH2 3.05Å; S198-R236 PolarHBondContact O-NH2 2.82Å; D199-R236 IonicContact OD1-CZ 3.27Å; D199-R236 IonicContact OD1-NH1 3.53Å; D199-R236 IonicContact OD1-NH2 3.85Å; D199-R236 PolarHBondContact OD1-NH2 3.03Å; I234-R236 HydrophobicContact CG2-CB 4.32Å; I234-R236 HydrophobicContact CG2-CG 4.38Å; R236-Q239 VanDerWaalsContact NH1-CB 3.27Å; R236-Q239 VanDerWaalsContact NH1-CD 3.34Å; R236-Q239 VanDerWaalsContact NH1-CG 3.26Å; R236-L253 HydrophobicContact CG-CD1 4.16Å; R236-L253 HydrophobicContact CG-CD2 4.06Å; R236-L253 HydrophobicContact CG-CG 4.19Å; R236-V254 PolarHBondContact N-O 3Å; R236-T255 VanDerWaalsContact CD-OG1 3.29Å; R236-T255 WeakPolarHBondContact CD-OG1 3.31Å; R236-T255 CarbonylContact O-C 3.49Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.38Å; R236-V256 PolarHBondContact O-N 3.05Å
237A98.9Very high98.2Very high0 Ų048.3 Ų48.30%025%0.253CS..  trans-120.7-133.1-176.300000110.6D54 L80 H164 Q239 V256D54-A237 VanDerWaalsContact OD2-CB 3.24Å; D54-A237 WeakPolarHBondContact OD2-CB 3.34Å; L80-A237 HydrophobicContact CB-CB 3.76Å; L80-A237 HydrophobicContact CD1-CB 3.91Å; L80-A237 HydrophobicContact CG-CB 4.48Å; H164-A237 CarbonylContact O-C 3.2Å; H164-A237 PolarHBondContact O-N 3.39Å; A237-Q239 PolarHBondContact O-N 3.35Å; A237-V256 WeakPolarHBondContact CA-O 3.39Å
238H98.6Very high98.2Very high9 Ų942.3 Ų42.34%0.04223%0.226CC..SBendtrans68.3-24159-166.965000119.1D54 N114 H164 D199 R211D54-H238 PolarHBondContact OD2-N 2.89Å; N114-H238 VanDerWaalsContact CG-CE1 3.45Å; N114-H238 PolarHBondContact ND2-CE1 3.43Å; N114-H238 PolarHBondContact OD1-CE1 2.86Å; N114-H238 PolarHBondContact OD1-ND1 3Å; N114-H238 VanDerWaalsContact OD1-ND1 3.14Å; H164-H238 AromaticContact CD2-ND1 3.64Å; H164-H238 AromaticContact NE2-CG 3.78Å; H164-H238 AromaticContact NE2-ND1 3.16Å; H164-H238 PolarHBondContact NE2-ND1 3.39Å; H164-H238 VanDerWaalsContact NE2-ND1 3.16Å; H164-H238 WeakPolarHBondContact O-CB 3.15Å; D199-H238 IonicContact OD1-CD2 3.9Å; D199-H238 PolarHBondContact OD1-CD2 3.26Å; D199-H238 VanDerWaalsContact OD1-CD2 3.29Å; R211-H238 WeakPolarHBondContact CD-NE2 3.37Å; R211-H238 PolarHBondContact NE-NE2 3.3Å; R211-H238 PolarHBondContact NH1-CE1 2.7Å; R211-H238 PolarHBondContact NH1-NE2 2.91Å; R211-H238 VanDerWaalsContact NH1-NE2 3.18Å; R211-H238 PolarHBondContact NH2-CD2 3.1Å; R211-H238 PolarHBondContact NH2-O 3.49Å
239Q98.3Very high98.2Very high47 Ų4738.9 Ų38.922%0.2221%0.206CC..SBendtrans-108.7126.5167.4-77.3169.7-44.600110.5D199 P200 R236 A237 V241 T255D199-Q239 HydrophobicContact CB-CG 4.5Å; D199-Q239 VanDerWaalsContact OD1-CD 3.31Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.47Å; P200-Q239 VanDerWaalsContact CD-OE1 3.29Å; R236-Q239 VanDerWaalsContact NH1-CB 3.27Å; R236-Q239 VanDerWaalsContact NH1-CD 3.34Å; R236-Q239 VanDerWaalsContact NH1-CG 3.26Å; A237-Q239 PolarHBondContact O-N 3.35Å; Q239-V241 PolarHBondContact O-N 3.5Å; Q239-T255 HydrophobicContact CB-CG2 4.35Å; Q239-T255 WeakPolarHBondContact O-CG2 3.33Å
240L98.1Very high98.1Very high69 Ų6942.8 Ų42.836%0.36123%0.227SC..  trans-60.5125.3170.917667.1000110W257 Y262 C266 N268L240-W257 HydrophobicContact CB-CH2 4.42Å; L240-W257 HydrophobicContact CB-CZ2 4.41Å; L240-W257 HydrophobicContact CB-CZ3 4.45Å; L240-W257 HydrophobicContact CD1-CD2 4.02Å; L240-W257 HydrophobicContact CD1-CG 4.24Å; L240-W257 HydrophobicContact CD1-CZ2 3.97Å; L240-Y262 HydrophobicContact CD1-CD1 4.34Å; L240-Y262 HydrophobicContact CD2-CD1 4.31Å; L240-C266 HydrophobicContact CD2-CB 4.18Å; L240-N268 HydrophobicContact CD1-CB 4Å
241V97.8Very high98.1Very high11 Ų1143.6 Ų43.67%0.06722%0.216CC..  trans-122.8129.7172.9-70.40000109Q239 E243 G244 Q246 T255 W257Q239-V241 PolarHBondContact O-N 3.5Å; V241-E243 VanDerWaalsContact C-N 3.28Å; V241-E243 PolarHBondContact O-N 3.01Å; V241-G244 VanDerWaalsContact CG2-C 3.42Å; V241-G244 PolarHBondContact O-N 3.31Å; V241-Q246 HydrophobicContact CB-CB 4.38Å; V241-Q246 HydrophobicContact CG1-CB 3.79Å; V241-T255 HydrophobicContact CG1-CG2 3.92Å; V241-T255 HydrophobicContact CG2-CG2 4.3Å; V241-W257 HydrophobicContact CG2-CB 3.7Å
242M98.2Very high98.1Very high100 Ų10045.3 Ų45.349%0.49322%0.223SC..THydrogen-bonded Turntrans-63.6-33.1-170-70.5-56.1-59.700113.4G244 C266 N268 L269M242-G244 VanDerWaalsContact C-N 3.29Å; M242-G244 PolarHBondContact O-N 3.21Å; M242-C266 WeakPolarHBondContact CE-O 3.47Å; M242-N268 HydrophobicContact CE-CB 3.97Å; M242-N268 CarbonylContact O-C 3.56Å; M242-N268 WeakPolarHBondContact O-CA 3.33Å; M242-N268 WeakPolarHBondContact O-CB 3.3Å; M242-N268 HydrophobicContact SD-CB 3.91Å; M242-L269 PolarHBondContact O-N 3.45Å
243E98.2Very high98.2Very high124 Ų12442.5 Ų42.558%0.57920%0.204SC*.THydrogen-bonded Turntrans-874.2178.6-58-55140.500113V241 Y245 T285V241-E243 VanDerWaalsContact C-N 3.28Å; V241-E243 PolarHBondContact O-N 3.01Å; E243-Y245 PolarHBondContact O-N 2.98Å; E243-T285 WeakPolarHBondContact O-CG2 3.3Å
244G98.2Very high98.2Very high0 Ų042.3 Ų42.30%020%0.203CC..SBendtrans80.5-19.2-17700000114.5V241 M242 W257 L269 C271V241-G244 VanDerWaalsContact CG2-C 3.42Å; V241-G244 PolarHBondContact O-N 3.31Å; M242-G244 VanDerWaalsContact C-N 3.29Å; M242-G244 PolarHBondContact O-N 3.21Å; G244-W257 PolarHBondContact O-N 3.01Å; G244-L269 VanDerWaalsContact CA-O 3.27Å; G244-L269 WeakPolarHBondContact CA-O 3.13Å; G244-L269 PolarHBondContact N-O 2.94Å; G244-C271 VanDerWaalsContact C-CB 3.44Å; G244-C271 WeakPolarHBondContact O-CB 3.36Å
245Y98.6Very high98.2Very high84 Ų8442.3 Ų42.333%0.32920%0.203SC..EExtended strand (participates in β ladder)trans-146.8159.817071.6-77.9000112.5E243 F247 T255 C271 A283 T285E243-Y245 PolarHBondContact O-N 2.98Å; Y245-F247 HydrophobicContact CD2-CD2 4.03Å; Y245-F247 AromaticContact CD2-CE2 3.83Å; Y245-F247 HydrophobicContact CD2-CE2 3.83Å; Y245-F247 AromaticContact CE2-CD2 3.92Å; Y245-F247 HydrophobicContact CE2-CD2 3.92Å; Y245-F247 AromaticContact CE2-CE2 3.66Å; Y245-F247 HydrophobicContact CE2-CE2 3.66Å; Y245-T255 CarbonylContact C-O 3.5Å; Y245-T255 WeakPolarHBondContact CA-O 3.48Å; Y245-T255 WeakPolarHBondContact CB-O 3.3Å; Y245-C271 HydrophobicContact CD1-CB 4.18Å; Y245-A283 HydrophobicContact CD1-CB 3.85Å; Y245-A283 HydrophobicContact CD2-CB 3.91Å; Y245-A283 HydrophobicContact CE1-CB 3.83Å; Y245-A283 HydrophobicContact CE2-CB 3.9Å; Y245-A283 HydrophobicContact CG-CB 3.89Å; Y245-T285 HydrophobicContact CD1-CG2 3.85Å; Y245-T285 HydrophobicContact CE1-CG2 3.75Å
246Q98.6Very high98.2Very high93 Ų9342.3 Ų42.344%0.43520%0.203SC..EExtended strand (participates in β ladder)trans-149.1128.2173.5-175.5179.415.400110.8V241 L248 V254 T255V241-Q246 HydrophobicContact CB-CB 4.38Å; V241-Q246 HydrophobicContact CG1-CB 3.79Å; Q246-L248 HydrophobicContact CG-CD2 4.18Å; Q246-V254 CarbonylContact O-C 3.59Å; Q246-V254 WeakPolarHBondContact O-CA 3.12Å; Q246-T255 PolarHBondContact N-O 3.03Å; Q246-T255 PolarHBondContact O-N 3.46Å
247F98.6Very high98.2Very high58 Ų5842.6 Ų42.625%0.25420%0.204SC..EExtended strand (participates in β ladder)trans-90.6141.3169.3-69.1-78.2000111.1M233 Y245 N251 L253 V254 F273 Y281M233-F247 HydrophobicContact CE-CD1 4.3Å; M233-F247 HydrophobicContact CE-CE1 3.81Å; M233-F247 HydrophobicContact SD-CE1 4.41Å; Y245-F247 HydrophobicContact CD2-CD2 4.03Å; Y245-F247 AromaticContact CD2-CE2 3.83Å; Y245-F247 HydrophobicContact CD2-CE2 3.83Å; Y245-F247 AromaticContact CE2-CD2 3.92Å; Y245-F247 HydrophobicContact CE2-CD2 3.92Å; Y245-F247 AromaticContact CE2-CE2 3.66Å; Y245-F247 HydrophobicContact CE2-CE2 3.66Å; F247-N251 WeakPolarHBondContact CB-OD1 3.44Å; F247-N251 HydrophobicContact CD1-CB 4.16Å; F247-N251 WeakPolarHBondContact CG-OD1 3.29Å; F247-L253 CarbonylContact C-O 3.51Å; F247-L253 WeakPolarHBondContact CA-O 3.21Å; F247-V254 HydrophobicContact CD1-CB 3.72Å; F247-V254 HydrophobicContact CD1-CG2 3.86Å; F247-V254 HydrophobicContact CE1-CB 3.73Å; F247-V254 HydrophobicContact CE1-CG2 3.73Å; F247-V254 HydrophobicContact CG-CG2 4.39Å; F247-V254 HydrophobicContact CZ-CG2 4.17Å; F247-F273 AromaticContact CE1-CE2 3.99Å; F247-F273 HydrophobicContact CE1-CE2 3.99Å; F247-F273 HydrophobicContact CE1-CZ 4.31Å; F247-F273 AromaticContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CZ 4.36Å; F247-Y281 AromaticContact CE1-CE2 3.89Å; F247-Y281 HydrophobicContact CE1-CE2 3.89Å; F247-Y281 HydrophobicContact CZ-CD2 4.24Å; F247-Y281 AromaticContact CZ-CE2 3.6Å; F247-Y281 HydrophobicContact CZ-CE2 3.6Å
248L98.4Very high98.2Very high30 Ų3042.6 Ų42.616%0.15720%0.204CC..EExtended strand (participates in β ladder)trans-123.4153.4172.7-60.2-178.5000111.3P200 Q246 D250 N251 K252 L253P200-L248 HydrophobicContact CB-CD1 3.74Å; P200-L248 HydrophobicContact CG-CD1 3.92Å; Q246-L248 HydrophobicContact CG-CD2 4.18Å; L248-D250 PolarHBondContact O-N 3.14Å; L248-N251 PolarHBondContact O-N 3.3Å; L248-K252 PolarHBondContact O-N 2.89Å; L248-K252 VanDerWaalsContact O-N 3.11Å; L248-L253 HydrophobicContact CB-CB 4.38Å; L248-L253 HydrophobicContact CB-CD2 4.41Å; L248-L253 HydrophobicContact CD1-CD2 4.09Å; L248-L253 HydrophobicContact CG-CD2 4.31Å; L248-L253 PolarHBondContact N-O 3.38Å; L248-L253 PolarHBondContact O-N 3.38Å
249W97.3Very high98.2Very high21 Ų2142.2 Ų42.28%0.0820%0.202CC..THydrogen-bonded Turntrans51.551.9168.4-45.1-46.6000115.1P200 F217 R219 A222 K252 L253P200-W249 HydrophobicContact CB-CH2 3.54Å; P200-W249 HydrophobicContact CB-CZ2 4.15Å; P200-W249 HydrophobicContact CB-CZ3 4.24Å; F217-W249 HydrophobicContact CD2-CH2 4.01Å; F217-W249 HydrophobicContact CD2-CZ3 4.35Å; F217-W249 AromaticContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CZ3 4Å; R219-W249 HydrophobicContact CB-CD2 3.95Å; R219-W249 HydrophobicContact CB-CG 3.87Å; R219-W249 HydrophobicContact CB-CZ2 4.49Å; R219-W249 HydrophobicContact CG-CB 4.02Å; R219-W249 HydrophobicContact CG-CD2 4.23Å; R219-W249 HydrophobicContact CG-CG 3.76Å; A222-W249 HydrophobicContact CB-CE3 3.71Å; A222-W249 HydrophobicContact CB-CH2 4.21Å; A222-W249 HydrophobicContact CB-CZ3 3.35Å; W249-K252 HydrophobicContact CB-CB 4.32Å; W249-K252 WeakPolarHBondContact O-CB 3.37Å; W249-K252 WeakPolarHBondContact O-CD 3.49Å; W249-K252 WeakPolarHBondContact O-CG 3.48Å; W249-K252 PolarHBondContact O-NZ 3.1Å; W249-L253 HydrophobicContact CE3-CB 4.15Å; W249-L253 HydrophobicContact CZ3-CB 4.21Å; W249-L253 HydrophobicContact CZ3-CD1 3.93Å
250D96.3Very high98.2Very high116 Ų11640 Ų4062%0.6219%0.192SC*.THydrogen-bonded Turntrans62.851-179.1-42.1-63.7000112.4R219 L248 K252R219-D250 IonicContact CZ-OD2 3.27Å; R219-D250 VanDerWaalsContact CZ-OD2 3.32Å; R219-D250 IonicContact NH1-OD2 3.08Å; R219-D250 PolarHBondContact NH1-OD2 3.34Å; R219-D250 VanDerWaalsContact NH1-OD2 3.08Å; R219-D250 IonicContact NH2-OD2 2.86Å; R219-D250 PolarHBondContact NH2-OD2 3.46Å; L248-D250 PolarHBondContact O-N 3.14Å; D250-K252 PolarHBondContact O-N 3.02Å; D250-K252 IonicContact OD2-NZ 3.66Å
251N96.6Very high98.1Very high79 Ų7938.1 Ų38.142%0.42218%0.183SC..THydrogen-bonded Turntrans59.827.1180-53.3-23.5000114.1M233 F247 L248M233-N251 HydrophobicContact CE-CB 4.15Å; M233-N251 WeakPolarHBondContact CE-O 3.47Å; F247-N251 WeakPolarHBondContact CB-OD1 3.44Å; F247-N251 HydrophobicContact CD1-CB 4.16Å; F247-N251 WeakPolarHBondContact CG-OD1 3.29Å; L248-N251 PolarHBondContact O-N 3.3Å
252K98Very high98.1Very high48 Ų4838.7 Ų38.721%0.20918%0.184CC..THydrogen-bonded Turntrans-82.4-20.8173.9-75.7-176.1-163.467.70112.8E223 L226 M233 I234 L248 W249 D250E223-K252 HydrophobicContact CG-CD 3.59Å; E223-K252 VanDerWaalsContact OE1-CE 3.23Å; E223-K252 WeakPolarHBondContact OE1-CE 3.03Å; E223-K252 IonicContact OE1-NZ 3.09Å; L226-K252 HydrophobicContact CD1-CB 3.62Å; L226-K252 HydrophobicContact CD1-CD 3.94Å; L226-K252 HydrophobicContact CD1-CG 3.82Å; M233-K252 CarbonylContact C-O 3.56Å; M233-K252 VanDerWaalsContact CA-O 3.31Å; M233-K252 WeakPolarHBondContact CA-O 3.32Å; I234-K252 PolarHBondContact N-O 2.88Å; L248-K252 PolarHBondContact O-N 2.89Å; L248-K252 VanDerWaalsContact O-N 3.11Å; W249-K252 HydrophobicContact CB-CB 4.32Å; W249-K252 WeakPolarHBondContact O-CB 3.37Å; W249-K252 WeakPolarHBondContact O-CD 3.49Å; W249-K252 WeakPolarHBondContact O-CG 3.48Å; W249-K252 PolarHBondContact O-NZ 3.1Å; D250-K252 PolarHBondContact O-N 3.02Å; D250-K252 IonicContact OD2-NZ 3.66Å
253L98.7Very high97.8Very high0 Ų034.7 Ų34.70%017%0.165CC..EExtended strand (participates in β ladder)trans-137.8142.3172.5-177.8151.6000109.4P200 F217 I234 R236 F247 L248 W249P200-L253 HydrophobicContact CB-CD1 4.04Å; P200-L253 HydrophobicContact CG-CD1 4.14Å; P200-L253 HydrophobicContact CG-CD2 4.14Å; F217-L253 HydrophobicContact CE2-CD1 3.76Å; F217-L253 HydrophobicContact CZ-CD1 3.81Å; I234-L253 HydrophobicContact CB-CB 4.3Å; I234-L253 HydrophobicContact CB-CD1 4.09Å; I234-L253 HydrophobicContact CB-CG 4.1Å; I234-L253 HydrophobicContact CD1-CD1 4.4Å; I234-L253 HydrophobicContact CG2-CD1 3.95Å; I234-L253 HydrophobicContact CG2-CG 4.21Å; I234-L253 CarbonylContact O-C 3.59Å; I234-L253 VanDerWaalsContact O-CA 3.25Å; I234-L253 WeakPolarHBondContact O-CA 3.21Å; R236-L253 HydrophobicContact CG-CD1 4.16Å; R236-L253 HydrophobicContact CG-CD2 4.06Å; R236-L253 HydrophobicContact CG-CG 4.19Å; F247-L253 CarbonylContact C-O 3.51Å; F247-L253 WeakPolarHBondContact CA-O 3.21Å; L248-L253 HydrophobicContact CB-CB 4.38Å; L248-L253 HydrophobicContact CB-CD2 4.41Å; L248-L253 HydrophobicContact CD1-CD2 4.09Å; L248-L253 HydrophobicContact CG-CD2 4.31Å; L248-L253 PolarHBondContact N-O 3.38Å; L248-L253 PolarHBondContact O-N 3.38Å; W249-L253 HydrophobicContact CE3-CB 4.15Å; W249-L253 HydrophobicContact CZ3-CB 4.21Å; W249-L253 HydrophobicContact CZ3-CD1 3.93Å
254V98.8Very high97.5Very high0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-124.8127.516665.90000109.8M233 I234 C235 R236 Q246 F247 V256 F273M233-V254 HydrophobicContact CG-CG1 4.37Å; M233-V254 HydrophobicContact SD-CB 4.15Å; M233-V254 HydrophobicContact SD-CG1 3.62Å; I234-V254 PolarHBondContact O-N 3.4Å; C235-V254 HydrophobicContact CB-CG1 4.04Å; R236-V254 PolarHBondContact N-O 3Å; Q246-V254 CarbonylContact O-C 3.59Å; Q246-V254 WeakPolarHBondContact O-CA 3.12Å; F247-V254 HydrophobicContact CD1-CB 3.72Å; F247-V254 HydrophobicContact CD1-CG2 3.86Å; F247-V254 HydrophobicContact CE1-CB 3.73Å; F247-V254 HydrophobicContact CE1-CG2 3.73Å; F247-V254 HydrophobicContact CG-CG2 4.39Å; F247-V254 HydrophobicContact CZ-CG2 4.17Å; V254-V256 HydrophobicContact CG1-CG2 4.2Å; V254-V256 HydrophobicContact CG2-CG2 4.12Å; V254-F273 HydrophobicContact CG1-CE1 4.45Å; V254-F273 HydrophobicContact CG1-CE2 4.27Å; V254-F273 HydrophobicContact CG1-CZ 4.18Å; V254-F273 HydrophobicContact CG2-CD2 4.3Å; V254-F273 HydrophobicContact CG2-CE2 4.14Å
255T98.9Very high97.2Very high0 Ų040.1 Ų40.10%018%0.181CC..EExtended strand (participates in β ladder)trans-89.1126.9164.2-60.20000107.9R236 Q239 V241 Y245 Q246R236-T255 VanDerWaalsContact CD-OG1 3.29Å; R236-T255 WeakPolarHBondContact CD-OG1 3.31Å; R236-T255 CarbonylContact O-C 3.49Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.38Å; Q239-T255 HydrophobicContact CB-CG2 4.35Å; Q239-T255 WeakPolarHBondContact O-CG2 3.33Å; V241-T255 HydrophobicContact CG1-CG2 3.92Å; V241-T255 HydrophobicContact CG2-CG2 4.3Å; Y245-T255 CarbonylContact C-O 3.5Å; Y245-T255 WeakPolarHBondContact CA-O 3.48Å; Y245-T255 WeakPolarHBondContact CB-O 3.3Å; Q246-T255 PolarHBondContact N-O 3.03Å; Q246-T255 PolarHBondContact O-N 3.46Å
256V98.9Very high97Very high0 Ų038.3 Ų38.30%018%0.18CC..EExtended strand (participates in β ladder)trans-117.6126.5178.4-175.10000108.3G53 R236 A237 V254 C271 F273G53-V256 WeakPolarHBondContact CA-O 3.45Å; R236-V256 PolarHBondContact O-N 3.05Å; A237-V256 WeakPolarHBondContact CA-O 3.39Å; V254-V256 HydrophobicContact CG1-CG2 4.2Å; V254-V256 HydrophobicContact CG2-CG2 4.12Å; V256-C271 HydrophobicContact CG1-CB 4.47Å; V256-F273 HydrophobicContact CG1-CB 4.28Å; V256-F273 HydrophobicContact CG2-CB 3.83Å; V256-F273 HydrophobicContact CG2-CG 4.28Å
257W98.8Very high96.9Very high5 Ų536.5 Ų36.52%0.01919%0.187CC..  trans-123.8119.6179.6-173.6-89.8000109.7D54 L240 V241 G244 A259 Y262 N268 A270 C271D54-W257 HydrophobicContact CB-CD2 4.32Å; D54-W257 HydrophobicContact CB-CE3 4Å; D54-W257 HydrophobicContact CB-CH2 3.86Å; D54-W257 HydrophobicContact CB-CZ2 4.17Å; D54-W257 HydrophobicContact CB-CZ3 3.77Å; D54-W257 WeakPolarHBondContact OD1-CZ3 3.1Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.42Å; L240-W257 HydrophobicContact CB-CH2 4.42Å; L240-W257 HydrophobicContact CB-CZ2 4.41Å; L240-W257 HydrophobicContact CB-CZ3 4.45Å; L240-W257 HydrophobicContact CD1-CD2 4.02Å; L240-W257 HydrophobicContact CD1-CG 4.24Å; L240-W257 HydrophobicContact CD1-CZ2 3.97Å; V241-W257 HydrophobicContact CG2-CB 3.7Å; G244-W257 PolarHBondContact O-N 3.01Å; W257-A259 VanDerWaalsContact CD1-O 3.31Å; W257-A259 HydrophobicContact CZ2-CB 4.41Å; W257-A259 PolarHBondContact NE1-O 3.48Å; W257-Y262 HydrophobicContact CH2-CD1 4.38Å; W257-Y262 HydrophobicContact CH2-CE1 4.14Å; W257-Y262 HydrophobicContact CH2-CE2 4.39Å; W257-Y262 AromaticContact CZ2-CD1 3.73Å; W257-Y262 HydrophobicContact CZ2-CD1 3.73Å; W257-Y262 AromaticContact CZ2-CD2 3.7Å; W257-Y262 HydrophobicContact CZ2-CD2 3.7Å; W257-Y262 AromaticContact CZ2-CE1 3.91Å; W257-Y262 HydrophobicContact CZ2-CE1 3.91Å; W257-Y262 AromaticContact CZ2-CE2 3.91Å; W257-Y262 HydrophobicContact CZ2-CE2 3.91Å; W257-Y262 AromaticContact CZ2-CG 3.6Å; W257-Y262 HydrophobicContact CZ2-CG 3.6Å; W257-Y262 AromaticContact CZ2-CZ 3.96Å; W257-N268 VanDerWaalsContact CD1-ND2 3.32Å; W257-N268 PolarHBondContact NE1-ND2 3.08Å; W257-A270 CarbonylContact O-C 3.12Å; W257-A270 WeakPolarHBondContact O-CA 3.48Å; W257-C271 PolarHBondContact O-N 3.39Å
258S98.8Very high96.8Very high1 Ų133.9 Ų33.91%0.00718%0.175CC..  trans-10910.9-170.2-63.80000114.4G53 D54 P260 A270 C271G53-S258 PolarHBondContact N-OG 2.91Å; D54-S258 CarbonylContact O-C 3.57Å; D54-S258 WeakPolarHBondContact O-CA 3.25Å; D54-S258 WeakPolarHBondContact O-CB 3.47Å; D54-S258 PolarHBondContact O-N 2.7Å; S258-P260 WeakPolarHBondContact O-CD 3.34Å; S258-A270 VanDerWaalsContact C-CB 3.45Å; S258-C271 PolarHBondContact OG-O 3.45Å
259A98.4Very high96.8Very high0 Ų035.3 Ų35.30%018%0.182CC..  trans-111.995.5179.700000111.5D54 W257 Y262 N268D54-A259 WeakPolarHBondContact O-CB 3.48Å; D54-A259 PolarHBondContact O-N 3.41Å; D54-A259 VanDerWaalsContact O-N 3.09Å; W257-A259 VanDerWaalsContact CD1-O 3.31Å; W257-A259 HydrophobicContact CZ2-CB 4.41Å; W257-A259 PolarHBondContact NE1-O 3.48Å; A259-Y262 HydrophobicContact CB-CD2 4.34Å; A259-N268 PolarHBondContact O-ND2 3.41Å
260P98Very high96.9Very high0 Ų034.3 Ų34.30%018%0.179CC..THydrogen-bonded Turntrans-74.3153.9-176.531.7-34.6000110.4Q58 D61 S258 Y262 A270 F286 P288Q58-P260 PolarHBondContact NE2-O 2.91Å; D61-P260 HydrophobicContact CB-CG 3.73Å; S258-P260 WeakPolarHBondContact O-CD 3.34Å; P260-Y262 PolarHBondContact O-N 3.39Å; P260-A270 HydrophobicContact CB-CB 3.7Å; P260-A270 VanDerWaalsContact CD-CB 3.46Å; P260-A270 HydrophobicContact CG-CB 3.97Å; P260-F286 HydrophobicContact CG-CD2 4.23Å; P260-F286 HydrophobicContact CG-CE2 3.93Å; P260-P288 HydrophobicContact CB-CB 4.39Å; P260-P288 HydrophobicContact CG-CB 4.3Å
261N96.8Very high97Very high31 Ų3128.8 Ų28.817%0.16615%0.149CC..THydrogen-bonded Turntrans41.153.4-173.4-174.832000111.4Y264 R265 C266 G267 N268 P288N261-Y264 VanDerWaalsContact ND2-C 3.34Å; N261-Y264 PolarHBondContact ND2-O 3.37Å; N261-Y264 WeakPolarHBondContact O-CA 3.4Å; N261-Y264 PolarHBondContact O-N 2.95Å; N261-R265 WeakPolarHBondContact OD1-CA 3.49Å; N261-R265 PolarHBondContact OD1-N 2.86Å; N261-R265 VanDerWaalsContact OD1-N 3.13Å; N261-C266 PolarHBondContact OD1-N 3Å; N261-G267 PolarHBondContact OD1-N 3.26Å; N261-N268 PolarHBondContact N-O 3.43Å; N261-N268 PolarHBondContact N-OD1 2.89Å; N261-P288 HydrophobicContact CB-CB 4.03Å; N261-P288 HydrophobicContact CB-CG 3.96Å
262Y96.7Very high97.1Very high22 Ų2225 Ų259%0.08613%0.129CC..G310 helixtrans-50.9141.2-169.6174.6-129.2000112.1H56 R86 L240 W257 A259 P260 Y264 R265 C266 N268H56-Y262 HydrophobicContact CB-CD2 4.47Å; H56-Y262 HydrophobicContact CB-CE2 3.81Å; H56-Y262 AromaticContact CD2-CE2 3.19Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.48Å; H56-Y262 AromaticContact CD2-CZ 3.58Å; H56-Y262 PolarHBondContact CD2-OH 3.14Å; H56-Y262 AromaticContact CG-CE2 3.69Å; H56-Y262 AromaticContact NE2-CE2 3.92Å; H56-Y262 AromaticContact NE2-CZ 3.81Å; H56-Y262 PolarHBondContact NE2-OH 3.24Å; H56-Y262 VanDerWaalsContact NE2-OH 3.11Å; R86-Y262 HydrophobicContact CB-CE2 4.05Å; R86-Y262 HydrophobicContact CG-CE2 4.26Å; R86-Y262 WeakPolarHBondContact CG-OH 3.5Å; L240-Y262 HydrophobicContact CD1-CD1 4.34Å; L240-Y262 HydrophobicContact CD2-CD1 4.31Å; W257-Y262 HydrophobicContact CH2-CD1 4.38Å; W257-Y262 HydrophobicContact CH2-CE1 4.14Å; W257-Y262 HydrophobicContact CH2-CE2 4.39Å; W257-Y262 AromaticContact CZ2-CD1 3.73Å; W257-Y262 HydrophobicContact CZ2-CD1 3.73Å; W257-Y262 AromaticContact CZ2-CD2 3.7Å; W257-Y262 HydrophobicContact CZ2-CD2 3.7Å; W257-Y262 AromaticContact CZ2-CE1 3.91Å; W257-Y262 HydrophobicContact CZ2-CE1 3.91Å; W257-Y262 AromaticContact CZ2-CE2 3.91Å; W257-Y262 HydrophobicContact CZ2-CE2 3.91Å; W257-Y262 AromaticContact CZ2-CG 3.6Å; W257-Y262 HydrophobicContact CZ2-CG 3.6Å; W257-Y262 AromaticContact CZ2-CZ 3.96Å; A259-Y262 HydrophobicContact CB-CD2 4.34Å; P260-Y262 PolarHBondContact O-N 3.39Å; Y262-Y264 PolarHBondContact O-N 3.47Å; Y262-R265 PolarHBondContact O-N 3.3Å; Y262-R265 VanDerWaalsContact O-N 3.1Å; Y262-C266 WeakPolarHBondContact O-CB 3.17Å; Y262-C266 PolarHBondContact O-N 2.65Å; Y262-C266 PolarHBondContact O-SG 3.46Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.28Å; Y262-N268 PolarHBondContact N-OD1 3.11Å
263C91.4Very high97.1Very high16 Ų1622.7 Ų22.711%0.10812%0.119CC..G310 helixtrans53.722.2-171.6-64.60000113.7R265C263-R265 HydrophobicContact CB-CG 4.11Å; C263-R265 PolarHBondContact O-N 3.34Å
264Y92.2Very high97.1Very high46 Ų4624 Ų2418%0.1813%0.125CC..G310 helixtrans61.221-176.2-41.9-75000114.5Q58 G87 R88 N261 Y262Q58-Y264 HydrophobicContact CG-CE1 4.22Å; G87-Y264 WeakPolarHBondContact CA-OH 3.3Å; R88-Y264 HydrophobicContact CG-CE2 3.82Å; R88-Y264 PolarHBondContact N-OH 3Å; N261-Y264 VanDerWaalsContact ND2-C 3.34Å; N261-Y264 PolarHBondContact ND2-O 3.37Å; N261-Y264 WeakPolarHBondContact O-CA 3.4Å; N261-Y264 PolarHBondContact O-N 2.95Å; Y262-Y264 PolarHBondContact O-N 3.47Å
265R92.5Very high97.1Very high193 Ų19324.1 Ų24.173%0.72813%0.126SC*.THydrogen-bonded Turntrans-147.5-17.1-173.568.6-175.7-179.6-136.70.7116.3N261 Y262 C263 G267N261-R265 WeakPolarHBondContact OD1-CA 3.49Å; N261-R265 PolarHBondContact OD1-N 2.86Å; N261-R265 VanDerWaalsContact OD1-N 3.13Å; Y262-R265 PolarHBondContact O-N 3.3Å; Y262-R265 VanDerWaalsContact O-N 3.1Å; C263-R265 HydrophobicContact CB-CG 4.11Å; C263-R265 PolarHBondContact O-N 3.34Å; R265-G267 VanDerWaalsContact C-N 3.35Å
266C94.8Very high97Very high45 Ų4528 Ų2830%0.30415%0.149SC..SBendtrans-75.5-22.3-173.3-71.90000113.4L240 M242 N261 Y262 N268L240-C266 HydrophobicContact CD2-CB 4.18Å; M242-C266 WeakPolarHBondContact CE-O 3.47Å; N261-C266 PolarHBondContact OD1-N 3Å; Y262-C266 WeakPolarHBondContact O-CB 3.17Å; Y262-C266 PolarHBondContact O-N 2.65Å; Y262-C266 PolarHBondContact O-SG 3.46Å; C266-N268 WeakPolarHBondContact CB-OD1 3.4Å; C266-N268 PolarHBondContact O-N 3.05Å
267G95.2Very high96.9Very high56 Ų5629.5 Ų29.558%0.57716%0.16SC*.  trans68.88.3179.100000115.7N261 R265N261-G267 PolarHBondContact OD1-N 3.26Å; R265-G267 VanDerWaalsContact C-N 3.35Å
268N98.1Very high96.5Very high2 Ų232.5 Ų32.51%0.01118%0.18CC..  trans-70.8157.8174.864.9-72.2000112.3L240 M242 W257 A259 N261 Y262 C266L240-N268 HydrophobicContact CD1-CB 4Å; M242-N268 HydrophobicContact CE-CB 3.97Å; M242-N268 CarbonylContact O-C 3.56Å; M242-N268 WeakPolarHBondContact O-CA 3.33Å; M242-N268 WeakPolarHBondContact O-CB 3.3Å; M242-N268 HydrophobicContact SD-CB 3.91Å; W257-N268 VanDerWaalsContact CD1-ND2 3.32Å; W257-N268 PolarHBondContact NE1-ND2 3.08Å; A259-N268 PolarHBondContact O-ND2 3.41Å; N261-N268 PolarHBondContact N-O 3.43Å; N261-N268 PolarHBondContact N-OD1 2.89Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.28Å; Y262-N268 PolarHBondContact N-OD1 3.11Å; C266-N268 WeakPolarHBondContact CB-OD1 3.4Å; C266-N268 PolarHBondContact O-N 3.05Å
269L98.2Very high96.1Very high60 Ų6036.5 Ų36.531%0.31421%0.213SC..  trans-79.9164.4161.6-63177.7000110.6M242 G244M242-L269 PolarHBondContact O-N 3.45Å; G244-L269 VanDerWaalsContact CA-O 3.27Å; G244-L269 WeakPolarHBondContact CA-O 3.13Å; G244-L269 PolarHBondContact N-O 2.94Å
270A98.6Very high96Very high0 Ų041.5 Ų41.50%024%0.239CC..EExtended strand (participates in β ladder)trans-112164.4166.400000110.7W257 S258 P260 T285 F286W257-A270 CarbonylContact O-C 3.12Å; W257-A270 WeakPolarHBondContact O-CA 3.48Å; S258-A270 VanDerWaalsContact C-CB 3.45Å; P260-A270 HydrophobicContact CB-CB 3.7Å; P260-A270 VanDerWaalsContact CD-CB 3.46Å; P260-A270 HydrophobicContact CG-CB 3.97Å; A270-T285 CarbonylContact O-C 3.54Å; A270-T285 WeakPolarHBondContact O-CA 3.44Å; A270-T285 WeakPolarHBondContact O-CB 3.26Å; A270-F286 HydrophobicContact CB-CD1 4Å; A270-F286 HydrophobicContact CB-CD2 4.19Å; A270-F286 HydrophobicContact CB-CE1 3.53Å; A270-F286 HydrophobicContact CB-CE2 3.75Å; A270-F286 HydrophobicContact CB-CG 4.3Å; A270-F286 HydrophobicContact CB-CZ 3.38Å; A270-F286 PolarHBondContact N-O 2.98Å; A270-F286 PolarHBondContact O-N 3.12Å
271C98.7Very high95.9Very high0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-136.9148.1179.2-169.80000111.1G244 Y245 V256 W257 S258 K284 T285G244-C271 VanDerWaalsContact C-CB 3.44Å; G244-C271 WeakPolarHBondContact O-CB 3.36Å; Y245-C271 HydrophobicContact CD1-CB 4.18Å; V256-C271 HydrophobicContact CG1-CB 4.47Å; W257-C271 PolarHBondContact O-N 3.39Å; S258-C271 PolarHBondContact OG-O 3.45Å; C271-K284 CarbonylContact C-O 3.53Å; C271-K284 WeakPolarHBondContact CA-O 3.42Å; C271-T285 HydrophobicContact CB-CG2 4.37Å
272I98.8Very high96Very high0 Ų048.5 Ų48.50%027%0.268CS..EExtended strand (participates in β ladder)trans-111.2145153.657.6177.2000109.4T50 L65 L68 G69 E274 K284 F286T50-I272 HydrophobicContact CG2-CB 3.61Å; T50-I272 HydrophobicContact CG2-CD1 4.08Å; T50-I272 HydrophobicContact CG2-CG1 4.23Å; T50-I272 HydrophobicContact CG2-CG2 4.14Å; L65-I272 HydrophobicContact CD1-CG2 3.69Å; L65-I272 HydrophobicContact CD2-CG2 4.1Å; L65-I272 HydrophobicContact CG-CG2 3.45Å; L65-I272 VanDerWaalsContact CG-CG2 3.45Å; L68-I272 HydrophobicContact CB-CD1 4.26Å; L68-I272 HydrophobicContact CD2-CD1 3.85Å; L68-I272 HydrophobicContact CD2-CG1 3.96Å; L68-I272 HydrophobicContact CG-CD1 3.83Å; L68-I272 HydrophobicContact CG-CG1 4.47Å; G69-I272 VanDerWaalsContact CA-CD1 3.41Å; I272-E274 HydrophobicContact CD1-CG 4.45Å; I272-K284 HydrophobicContact CD1-CB 4.42Å; I272-K284 HydrophobicContact CG1-CB 3.88Å; I272-K284 PolarHBondContact N-O 3.26Å; I272-K284 PolarHBondContact O-N 3.18Å; I272-F286 HydrophobicContact CG2-CE1 4.26Å
273F98.7Very high96.1Very high0 Ų048.7 Ų48.70%027%0.274CS..EExtended strand (participates in β ladder)trans-114.498.8-178-172.5-93.2000109.9I51 M233 F247 V254 V256 V275 Y281 A283I51-F273 HydrophobicContact CB-CB 4.21Å; I51-F273 HydrophobicContact CB-CD1 4.45Å; I51-F273 HydrophobicContact CD1-CD1 4Å; I51-F273 HydrophobicContact CG1-CD1 4.46Å; I51-F273 PolarHBondContact N-O 2.96Å; I51-F273 PolarHBondContact O-N 2.85Å; M233-F273 HydrophobicContact SD-CE1 4.42Å; M233-F273 HydrophobicContact SD-CZ 4.03Å; F247-F273 AromaticContact CE1-CE2 3.99Å; F247-F273 HydrophobicContact CE1-CE2 3.99Å; F247-F273 HydrophobicContact CE1-CZ 4.31Å; F247-F273 AromaticContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CZ 4.36Å; V254-F273 HydrophobicContact CG1-CE1 4.45Å; V254-F273 HydrophobicContact CG1-CE2 4.27Å; V254-F273 HydrophobicContact CG1-CZ 4.18Å; V254-F273 HydrophobicContact CG2-CD2 4.3Å; V254-F273 HydrophobicContact CG2-CE2 4.14Å; V256-F273 HydrophobicContact CG1-CB 4.28Å; V256-F273 HydrophobicContact CG2-CB 3.83Å; V256-F273 HydrophobicContact CG2-CG 4.28Å; F273-V275 HydrophobicContact CD1-CG2 3.82Å; F273-V275 HydrophobicContact CE1-CG2 3.76Å; F273-Y281 HydrophobicContact CE1-CD1 4.46Å; F273-Y281 HydrophobicContact CE1-CD2 4.25Å; F273-Y281 AromaticContact CE1-CG 3.88Å; F273-Y281 HydrophobicContact CE1-CG 3.88Å; F273-Y281 AromaticContact CE2-CD2 3.58Å; F273-Y281 HydrophobicContact CE2-CD2 3.58Å; F273-Y281 HydrophobicContact CE2-CE2 4.18Å; F273-Y281 HydrophobicContact CE2-CG 4.07Å; F273-Y281 AromaticContact CZ-CD1 3.99Å; F273-Y281 HydrophobicContact CZ-CD1 3.99Å; F273-Y281 AromaticContact CZ-CD2 3.27Å; F273-Y281 HydrophobicContact CZ-CD2 3.27Å; F273-Y281 AromaticContact CZ-CE2 3.93Å; F273-Y281 HydrophobicContact CZ-CE2 3.93Å; F273-Y281 AromaticContact CZ-CG 3.32Å; F273-Y281 HydrophobicContact CZ-CG 3.32Å; F273-A283 HydrophobicContact CD2-CB 4.18Å
274E98.6Very high96.4Very high28 Ų2850.6 Ų50.613%0.13128%0.281CS..EExtended strand (participates in β ladder)trans-83.3123-176.8-67.4-172.7-172.300110.6T50 I272 Y281 E282 K284T50-E274 HydrophobicContact CG2-CG 4.03Å; I272-E274 HydrophobicContact CD1-CG 4.45Å; E274-Y281 CarbonylContact O-C 3.43Å; E274-Y281 WeakPolarHBondContact O-CA 3.49Å; E274-Y281 WeakPolarHBondContact O-CB 3.14Å; E274-E282 PolarHBondContact N-O 2.94Å; E274-E282 PolarHBondContact O-N 2.58Å; E274-K284 VanDerWaalsContact CD-CE 3.4Å; E274-K284 WeakPolarHBondContact OE1-CD 3.3Å; E274-K284 WeakPolarHBondContact OE1-CE 3.41Å; E274-K284 IonicContact OE1-NZ 3.59Å; E274-K284 PolarHBondContact OE1-NZ 3.42Å; E274-K284 WeakPolarHBondContact OE2-CE 3.36Å; E274-K284 IonicContact OE2-NZ 3.77Å; E274-K284 PolarHBondContact OE2-NZ 3.07Å
275V98.6Very high96.7Very high1 Ų151.5 Ų51.51%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-107103.7173.5-175.80000107.6S47 P48 L49 I51 Y160 F273 S277S47-V275 WeakPolarHBondContact CB-O 3.34Å; P48-V275 VanDerWaalsContact CA-O 3.28Å; P48-V275 WeakPolarHBondContact CA-O 3.42Å; L49-V275 PolarHBondContact N-O 3.05Å; L49-V275 PolarHBondContact O-N 3.18Å; I51-V275 HydrophobicContact CD1-CG2 3.97Å; I51-V275 HydrophobicContact CG1-CG2 4.37Å; Y160-V275 HydrophobicContact CD2-CG1 4.29Å; Y160-V275 HydrophobicContact CE2-CG1 3.82Å; F273-V275 HydrophobicContact CD1-CG2 3.82Å; F273-V275 HydrophobicContact CE1-CG2 3.76Å; V275-S277 WeakPolarHBondContact CG1-O 3.44Å
276T97.3Very high97Very high81 Ų8143.3 Ų43.350%0.49726%0.261SS..EExtended strand (participates in β ladder)trans-84-33.3-178.7-59.20000111.6I280T276-I280 PolarHBondContact N-O 3.22Å
277S95Very high97.1Very high32 Ų3242.7 Ų42.722%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-152.7170.5175.678.10000110.2S47 V275 A279 I280S47-S277 WeakPolarHBondContact OG-CA 3.46Å; V275-S277 WeakPolarHBondContact CG1-O 3.44Å; S277-A279 PolarHBondContact O-N 3.3Å; S277-I280 PolarHBondContact N-O 2.96Å; S277-I280 PolarHBondContact O-N 3.37Å; S277-I280 WeakPolarHBondContact OG-CB 3.38Å; S277-I280 WeakPolarHBondContact OG-CG1 3.4Å; S277-I280 PolarHBondContact OG-N 2.91Å
278P90.9Very high97.1Very high69 Ų6942.7 Ų42.745%0.44825%0.251SS..THydrogen-bonded Turntrans-54.1-21.1-177.9-27.934.2000115.8D157 Y160D157-P278 HydrophobicContact CB-CB 4.2Å; D157-P278 HydrophobicContact CB-CG 3.85Å; Y160-P278 WeakPolarHBondContact CE2-O 3.41Å; Y160-P278 PolarHBondContact OH-O 2.76Å
279A89.9Confident96.9Very high85 Ų8542.8 Ų42.870%0.70225%0.253SS*.THydrogen-bonded Turntrans-119.71.2-18000000114.2S277S277-A279 PolarHBondContact O-N 3.3Å
280I96.1Very high96.4Very high104 Ų10446.3 Ų46.353%0.53327%0.272SS..EExtended strand (participates in β ladder)trans-126.9113.3-174-56.9174.5000108.6T276 S277T276-I280 PolarHBondContact N-O 3.22Å; S277-I280 PolarHBondContact N-O 2.96Å; S277-I280 PolarHBondContact O-N 3.37Å; S277-I280 WeakPolarHBondContact OG-CB 3.38Å; S277-I280 WeakPolarHBondContact OG-CG1 3.4Å; S277-I280 PolarHBondContact OG-N 2.91Å
281Y97.6Very high95.6Very high70 Ų7054.5 Ų54.528%0.27530%0.303SS..EExtended strand (participates in β ladder)trans-133.8157.5173.355.1-103.3000111.4Y160 M233 F247 F273 E274Y160-Y281 AromaticContact CE1-CD1 4Å; Y160-Y281 HydrophobicContact CE1-CD1 4Å; Y160-Y281 HydrophobicContact CE1-CE1 4.38Å; Y160-Y281 WeakPolarHBondContact OH-CD1 3.49Å; M233-Y281 HydrophobicContact CE-CD1 4.42Å; M233-Y281 HydrophobicContact CE-CE1 3.61Å; M233-Y281 HydrophobicContact CE-CE2 4.33Å; M233-Y281 WeakPolarHBondContact CE-OH 3.47Å; F247-Y281 AromaticContact CE1-CE2 3.89Å; F247-Y281 HydrophobicContact CE1-CE2 3.89Å; F247-Y281 HydrophobicContact CZ-CD2 4.24Å; F247-Y281 AromaticContact CZ-CE2 3.6Å; F247-Y281 HydrophobicContact CZ-CE2 3.6Å; F273-Y281 HydrophobicContact CE1-CD1 4.46Å; F273-Y281 HydrophobicContact CE1-CD2 4.25Å; F273-Y281 AromaticContact CE1-CG 3.88Å; F273-Y281 HydrophobicContact CE1-CG 3.88Å; F273-Y281 AromaticContact CE2-CD2 3.58Å; F273-Y281 HydrophobicContact CE2-CD2 3.58Å; F273-Y281 HydrophobicContact CE2-CE2 4.18Å; F273-Y281 HydrophobicContact CE2-CG 4.07Å; F273-Y281 AromaticContact CZ-CD1 3.99Å; F273-Y281 HydrophobicContact CZ-CD1 3.99Å; F273-Y281 AromaticContact CZ-CD2 3.27Å; F273-Y281 HydrophobicContact CZ-CD2 3.27Å; F273-Y281 AromaticContact CZ-CE2 3.93Å; F273-Y281 HydrophobicContact CZ-CE2 3.93Å; F273-Y281 AromaticContact CZ-CG 3.32Å; F273-Y281 HydrophobicContact CZ-CG 3.32Å; E274-Y281 CarbonylContact O-C 3.43Å; E274-Y281 WeakPolarHBondContact O-CA 3.49Å; E274-Y281 WeakPolarHBondContact O-CB 3.14Å
282E97.9Very high94.4Very high109 Ų10955 Ų5551%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-139.1133.1176.6-174.4179.8-165.900109.8E274 K284E274-E282 PolarHBondContact N-O 2.94Å; E274-E282 PolarHBondContact O-N 2.58Å; E282-K284 HydrophobicContact CG-CG 4.13Å; E282-K284 WeakPolarHBondContact OE2-CE 3.49Å; E282-K284 IonicContact OE2-NZ 2.66Å
283A98.3Very high92.5Very high25 Ų2558.2 Ų58.221%0.20733%0.329CS..EExtended strand (participates in β ladder)trans-93.2117.1171.500000109Y245 F273Y245-A283 HydrophobicContact CD1-CB 3.85Å; Y245-A283 HydrophobicContact CD2-CB 3.91Å; Y245-A283 HydrophobicContact CE1-CB 3.83Å; Y245-A283 HydrophobicContact CE2-CB 3.9Å; Y245-A283 HydrophobicContact CG-CB 3.89Å; F273-A283 HydrophobicContact CD2-CB 4.18Å
284K98.5Very high90.3Very high57 Ų5763.1 Ų63.125%0.24836%0.355CS..EExtended strand (participates in β ladder)trans-111.1119.3177.9-59.7-176.3-175.2167.60110.3L68 C271 I272 E274 E282L68-K284 HydrophobicContact CD2-CB 3.97Å; L68-K284 HydrophobicContact CG-CB 4.45Å; C271-K284 CarbonylContact C-O 3.53Å; C271-K284 WeakPolarHBondContact CA-O 3.42Å; I272-K284 HydrophobicContact CD1-CB 4.42Å; I272-K284 HydrophobicContact CG1-CB 3.88Å; I272-K284 PolarHBondContact N-O 3.26Å; I272-K284 PolarHBondContact O-N 3.18Å; E274-K284 VanDerWaalsContact CD-CE 3.4Å; E274-K284 WeakPolarHBondContact OE1-CD 3.3Å; E274-K284 WeakPolarHBondContact OE1-CE 3.41Å; E274-K284 IonicContact OE1-NZ 3.59Å; E274-K284 PolarHBondContact OE1-NZ 3.42Å; E274-K284 WeakPolarHBondContact OE2-CE 3.36Å; E274-K284 IonicContact OE2-NZ 3.77Å; E274-K284 PolarHBondContact OE2-NZ 3.07Å; E282-K284 HydrophobicContact CG-CG 4.13Å; E282-K284 WeakPolarHBondContact OE2-CE 3.49Å; E282-K284 IonicContact OE2-NZ 2.66Å
285T98.5Very high88.1Confident64 Ų6463.6 Ų63.639%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-96150.6-176.356.70000113.1E243 Y245 A270 C271E243-T285 WeakPolarHBondContact O-CG2 3.3Å; Y245-T285 HydrophobicContact CD1-CG2 3.85Å; Y245-T285 HydrophobicContact CE1-CG2 3.75Å; A270-T285 CarbonylContact O-C 3.54Å; A270-T285 WeakPolarHBondContact O-CA 3.44Å; A270-T285 WeakPolarHBondContact O-CB 3.26Å; C271-T285 HydrophobicContact CB-CG2 4.37Å
286F98.2Very high85.3Confident22 Ų2270.4 Ų70.410%0.09641%0.405CS..EExtended strand (participates in β ladder)trans-145.3156174.561.6-75.7000112.5E64 L65 L68 P260 A270 I272E64-F286 HydrophobicContact CB-CD2 4.31Å; L65-F286 HydrophobicContact CB-CE1 4.37Å; L65-F286 HydrophobicContact CB-CE2 4.3Å; L65-F286 HydrophobicContact CB-CZ 3.81Å; L65-F286 HydrophobicContact CD1-CZ 4.21Å; L65-F286 HydrophobicContact CG-CZ 4.32Å; L68-F286 HydrophobicContact CD2-CB 4.05Å; L68-F286 HydrophobicContact CD2-CD1 3.74Å; L68-F286 HydrophobicContact CD2-CG 4.2Å; P260-F286 HydrophobicContact CG-CD2 4.23Å; P260-F286 HydrophobicContact CG-CE2 3.93Å; A270-F286 HydrophobicContact CB-CD1 4Å; A270-F286 HydrophobicContact CB-CD2 4.19Å; A270-F286 HydrophobicContact CB-CE1 3.53Å; A270-F286 HydrophobicContact CB-CE2 3.75Å; A270-F286 HydrophobicContact CB-CG 4.3Å; A270-F286 HydrophobicContact CB-CZ 3.38Å; A270-F286 PolarHBondContact N-O 2.98Å; A270-F286 PolarHBondContact O-N 3.12Å; I272-F286 HydrophobicContact CG2-CE1 4.26Å
287G96.5Very high82.4Confident32 Ų3271.9 Ų71.933%0.3342%0.419SS..  trans-93.7179.6174.200000112.8
288P96.1Very high79.4Confident55 Ų5574.9 Ų74.936%0.35745%0.446SS..  trans-66.2147.2178.529.4-35.4000112.1D61 P260 N261 S292D61-P288 WeakPolarHBondContact OD1-CA 3.36Å; P260-P288 HydrophobicContact CB-CB 4.39Å; P260-P288 HydrophobicContact CG-CB 4.3Å; N261-P288 HydrophobicContact CB-CB 4.03Å; N261-P288 HydrophobicContact CB-CG 3.96Å; P288-S292 WeakPolarHBondContact CB-OG 3.13Å
289A93.9Very high76.6Confident4 Ų480 Ų803%0.03349%0.493CS..  trans-60.5143.9171.300000110.9F60 D61 E64 R291 S292 S293F60-A289 HydrophobicContact CB-CB 3.86Å; D61-A289 WeakPolarHBondContact OD1-CB 3.49Å; D61-A289 PolarHBondContact OD1-N 3.22Å; E64-A289 HydrophobicContact CG-CB 3.56Å; A289-R291 PolarHBondContact O-N 3.46Å; A289-S292 PolarHBondContact N-OG 3.23Å; A289-S292 PolarHBondContact O-N 3.33Å; A289-S292 PolarHBondContact O-OG 3.16Å; A289-S293 PolarHBondContact O-N 3.23Å
290N88.2Confident76Confident134 Ų13479.7 Ų79.772%0.71748%0.483SS*.Hα-helixtrans-54.7-33.9175.9-67.9-19.2000112.5S293N290-S293 PolarHBondContact O-N 2.75Å; N290-S293 PolarHBondContact O-OG 2.8Å
291R82.1Confident74.9Confident173 Ų17378.4 Ų78.465%0.65348%0.48SS*.Hα-helixtrans-74.2-23178.2-64.9-175.6-174.7177.62.1113.7F60 A289 S293F60-R291 HydrophobicContact CB-CB 4.38Å; F60-R291 HydrophobicContact CD1-CB 4.09Å; F60-R291 HydrophobicContact CD2-CB 4.15Å; F60-R291 HydrophobicContact CE1-CB 4.44Å; F60-R291 HydrophobicContact CE2-CB 4.49Å; F60-R291 HydrophobicContact CG-CB 3.94Å; A289-R291 PolarHBondContact O-N 3.46Å; R291-S293 VanDerWaalsContact C-N 3.34Å
292S72.8Confident73.6Confident9 Ų978.9 Ų78.96%0.06349%0.492CS..Hα-helixtrans-77.2-25.4176.162.60000111.5D61 P288 A289D61-S292 WeakPolarHBondContact OD1-CB 3.19Å; D61-S292 PolarHBondContact OD1-OG 3.39Å; P288-S292 WeakPolarHBondContact CB-OG 3.13Å; A289-S292 PolarHBondContact N-OG 3.23Å; A289-S292 PolarHBondContact O-N 3.33Å; A289-S292 PolarHBondContact O-OG 3.16Å
293S57.9Low72.2Confident69 Ų6977.1 Ų77.148%0.48349%0.491SS..Hα-helixtrans-79.1-19.717354.60000115A289 N290 R291 A295A289-S293 PolarHBondContact O-N 3.23Å; N290-S293 PolarHBondContact O-N 2.75Å; N290-S293 PolarHBondContact O-OG 2.8Å; R291-S293 VanDerWaalsContact C-N 3.34Å; S293-A295 PolarHBondContact O-N 2.66Å
294D54.3Low70.6Confident103 Ų10380.4 Ų80.455%0.55151%0.509SS*.THydrogen-bonded Turntrans-70.77.9-176.3-72.1-23000114.8T296D294-T296 PolarHBondContact O-N 3.22Å
295A50.7Low68.7Low38 Ų3881.9 Ų81.931%0.31453%0.526SS..G310 helixtrans-59-3179.800000116.3S293 S297S293-A295 PolarHBondContact O-N 2.66Å; A295-S297 VanDerWaalsContact C-N 3.29Å; A295-S297 PolarHBondContact O-N 3.02Å
296T41.1Very low66.6Low144 Ų14483.2 Ų83.288%0.88354%0.535SS*.G310 helixtrans-76.12.9176.534.80000115.7D294D294-T296 PolarHBondContact O-N 3.22Å
297S35.5Very low64.2Low111 Ų11187.9 Ų87.978%0.77657%0.569SS**G310 helixtrans-121.717.8-173.978.80000117.7A295A295-S297 VanDerWaalsContact C-N 3.29Å; A295-S297 PolarHBondContact O-N 3.02Å
298A33.3Very low61.5Low96 Ų9692.6 Ų92.679%0.79359%0.589SS**  trans-124.680.1175.900000111.3
299A31.6Very low58.3Low175 Ų17596 Ų96100%1.44661%0.61SS**  trans-124.30156.500000107.8

Retrieved 299 of 299 residues in 897.5 ms (Link to these results)

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