A0A077ZEW3_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZEW3, 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
1M48.9Very low87.7Confident245 Ų24586.3 Ų86.3100%1.20747%0.465SS*.  0116.30-89.1172.6163.800107.1
2G67.3Low88.6Confident79 Ų7987.7 Ų87.781%0.81447%0.467SS*.PPolyproline II helixtrans-63.6141.1172.700000109.3Q4G2-Q4 PolarHBondContact O-N 3.36Å
3K76.2Confident89.3Confident117 Ų11785.1 Ų85.151%0.50945%0.449SS..PPolyproline II helixtrans-55.9122.8171.6177-175.6164.1-1570108.3D21 D24K3-D21 IonicContact NZ-OD1 2.66Å; K3-D21 IonicContact NZ-OD2 3.71Å; K3-D21 PolarHBondContact NZ-OD2 3Å; K3-D24 WeakPolarHBondContact CE-OD2 3.49Å; K3-D24 IonicContact NZ-OD1 2.63Å; K3-D24 IonicContact NZ-OD2 2.64Å; K3-D24 PolarHBondContact NZ-OD2 2.92Å
4Q88.6Confident90Very high174 Ų17479.1 Ų79.181%0.81342%0.418SS*.PPolyproline II helixtrans-76.2134.6174.8-174.6174.92.600109G2 N6G2-Q4 PolarHBondContact O-N 3.36Å; Q4-N6 PolarHBondContact O-N 2.58Å
5F95.4Very high90.5Very high69 Ų6976.9 Ų76.930%0.30341%0.411SS..PPolyproline II helixtrans-57.1130.9174.3173.1-105.5000110.6L7 A27 V28 L31F5-L7 HydrophobicContact CE1-CB 4.09Å; F5-L7 HydrophobicContact CZ-CB 4.1Å; F5-L7 HydrophobicContact CZ-CD1 4.23Å; F5-A27 HydrophobicContact CD1-CB 4.35Å; F5-A27 HydrophobicContact CD2-CB 3.42Å; F5-A27 VanDerWaalsContact CD2-CB 3.42Å; F5-A27 HydrophobicContact CE1-CB 4.42Å; F5-A27 HydrophobicContact CE2-CB 3.5Å; F5-A27 HydrophobicContact CG-CB 3.86Å; F5-A27 HydrophobicContact CZ-CB 4.02Å; F5-V28 HydrophobicContact CE2-CG2 4.02Å; F5-V28 HydrophobicContact CZ-CG2 4.13Å; F5-L31 HydrophobicContact CE1-CD1 3.57Å; F5-L31 HydrophobicContact CZ-CD1 3.79Å
6N97.2Very high90.9Very high83 Ų8378.3 Ų78.344%0.44441%0.413SS..  trans-134.9109177.2-179.2-22.2000109.4Q4 D8 S9 C10Q4-N6 PolarHBondContact O-N 2.58Å; N6-D8 VanDerWaalsContact C-N 3.35Å; N6-D8 PolarHBondContact O-N 3.14Å; N6-D8 PolarHBondContact OD1-N 3.43Å; N6-S9 PolarHBondContact O-N 2.76Å; N6-S9 PolarHBondContact OD1-N 3.2Å; N6-C10 PolarHBondContact O-N 2.94Å; N6-C10 VanDerWaalsContact O-N 3.11Å; N6-C10 PolarHBondContact O-SG 3.21Å
7L98.1Very high91.2Very high33 Ų3374.6 Ų74.617%0.17340%0.398CS..Hα-helixtrans-63.5-37-178.6-179.862.9000112.8F5 S9 C10 L11 V28 V102 R103F5-L7 HydrophobicContact CE1-CB 4.09Å; F5-L7 HydrophobicContact CZ-CB 4.1Å; F5-L7 HydrophobicContact CZ-CD1 4.23Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.41Å; L7-C10 WeakPolarHBondContact O-CB 3.35Å; L7-C10 PolarHBondContact O-N 2.85Å; L7-C10 VanDerWaalsContact O-N 3.1Å; L7-L11 HydrophobicContact CG-CD1 4.23Å; L7-L11 PolarHBondContact O-N 3.27Å; L7-V28 HydrophobicContact CD1-CG2 4.48Å; L7-V102 HydrophobicContact CD1-CB 4.43Å; L7-V102 HydrophobicContact CD1-CG1 4.06Å; L7-V102 HydrophobicContact CD2-CG1 3.75Å; L7-R103 HydrophobicContact CD2-CB 4.22Å
8D98Very high91.6Very high94 Ų9475.4 Ų75.450%0.50340%0.399SS..Hα-helixtrans-65.9-37.6179.5-66.4-29.9000111N6 C10 L11 E12 R103N6-D8 VanDerWaalsContact C-N 3.35Å; N6-D8 PolarHBondContact O-N 3.14Å; N6-D8 PolarHBondContact OD1-N 3.43Å; D8-C10 VanDerWaalsContact C-N 3.34Å; D8-L11 PolarHBondContact O-N 3.43Å; D8-E12 PolarHBondContact O-N 2.93Å; D8-R103 IonicContact OD1-NE 3.2Å
9S97.8Very high91.8Very high37 Ų3775.3 Ų75.326%0.25940%0.398SS..Hα-helixtrans-65.2-38.2171.3-174.40000112N6 L7 E12 K13N6-S9 PolarHBondContact O-N 2.76Å; N6-S9 PolarHBondContact OD1-N 3.2Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.41Å; S9-E12 PolarHBondContact O-N 2.82Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 2.99Å
10C98.6Very high92.1Very high0 Ų071.7 Ų71.70%038%0.379CS..Hα-helixtrans-64.4-43.6176.7-63.80000111.7N6 L7 D8 K13 A14 L20 V28 T99N6-C10 PolarHBondContact O-N 2.94Å; N6-C10 VanDerWaalsContact O-N 3.11Å; N6-C10 PolarHBondContact O-SG 3.21Å; L7-C10 WeakPolarHBondContact O-CB 3.35Å; L7-C10 PolarHBondContact O-N 2.85Å; L7-C10 VanDerWaalsContact O-N 3.1Å; D8-C10 VanDerWaalsContact C-N 3.34Å; C10-K13 PolarHBondContact O-N 3.21Å; C10-A14 WeakPolarHBondContact O-CB 3.29Å; C10-A14 PolarHBondContact O-N 3.48Å; C10-L20 HydrophobicContact CB-CD1 3.75Å; C10-L20 HydrophobicContact CB-CD2 4.18Å; C10-V28 HydrophobicContact CB-CG2 4.34Å; C10-T99 HydrophobicContact CB-CG2 4.04Å
11L98.4Very high92.1Very high18 Ų1871.2 Ų71.29%0.09438%0.376CS..Hα-helixtrans-58.7-46.9175-79.5158.5000112L7 D8 A14 S15 T99 L100 R103L7-L11 HydrophobicContact CG-CD1 4.23Å; L7-L11 PolarHBondContact O-N 3.27Å; D8-L11 PolarHBondContact O-N 3.43Å; L11-A14 PolarHBondContact O-N 2.85Å; L11-S15 WeakPolarHBondContact O-CB 3.46Å; L11-S15 PolarHBondContact O-N 3.47Å; L11-T99 WeakPolarHBondContact CD2-O 3.34Å; L11-L100 HydrophobicContact CD2-CD2 4.02Å; L11-R103 HydrophobicContact CD1-CB 3.75Å; L11-R103 HydrophobicContact CD1-CG 3.55Å; L11-R103 HydrophobicContact CD2-CB 4.18Å; L11-R103 HydrophobicContact CG-CB 4.47Å
12E98.3Very high94.2Very high103 Ų10362.1 Ų62.148%0.48133%0.331SS..Hα-helixtrans-61.6-50.1180-173.7-175.5174.600111.1D8 S9 A14 S15 K16D8-E12 PolarHBondContact O-N 2.93Å; S9-E12 PolarHBondContact O-N 2.82Å; E12-A14 PolarHBondContact O-N 3.33Å; E12-S15 PolarHBondContact O-N 3.22Å; E12-S15 PolarHBondContact O-OG 2.83Å; E12-K16 WeakPolarHBondContact O-CG 3.49Å; E12-K16 PolarHBondContact O-N 2.87Å; E12-K16 IonicContact OE1-NZ 3.9Å; E12-K16 PolarHBondContact OE1-NZ 2.97Å
13K98.5Very high95.4Very high54 Ų5462.7 Ų62.724%0.23532%0.321CS..Hα-helixtrans-60.1-46.3177.2-73.1-178.8177.3-177.80112.1S9 C10 S15 K16 G17 E18 L20S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 2.99Å; C10-K13 PolarHBondContact O-N 3.21Å; K13-S15 VanDerWaalsContact C-N 3.29Å; K13-S15 PolarHBondContact O-N 2.81Å; K13-K16 PolarHBondContact O-N 2.85Å; K13-G17 PolarHBondContact O-N 3.4Å; K13-E18 HydrophobicContact CB-CB 4.06Å; K13-E18 WeakPolarHBondContact O-CB 3.25Å; K13-E18 PolarHBondContact O-N 2.82Å; K13-L20 HydrophobicContact CB-CD2 3.57Å; K13-L20 HydrophobicContact CD-CD2 3.67Å; K13-L20 HydrophobicContact CG-CD2 4.28Å
14A98.4Very high96.4Very high2 Ų257.5 Ų57.52%0.01730%0.298CS..Hα-helixtrans-60.8-38.4178.800000111.7C10 L11 E12 K16 G17 Y59 T95 T99C10-A14 WeakPolarHBondContact O-CB 3.29Å; C10-A14 PolarHBondContact O-N 3.48Å; L11-A14 PolarHBondContact O-N 2.85Å; E12-A14 PolarHBondContact O-N 3.33Å; A14-K16 PolarHBondContact O-N 2.72Å; A14-G17 PolarHBondContact O-N 3.05Å; A14-Y59 VanDerWaalsContact O-CE2 3.28Å; A14-Y59 WeakPolarHBondContact O-CE2 3.49Å; A14-Y59 PolarHBondContact O-OH 3.15Å; A14-T95 HydrophobicContact CB-CG2 4.03Å; A14-T99 HydrophobicContact CB-CG2 4.22Å
15S97.9Very high96.7Very high45 Ų4549.5 Ų49.532%0.31526%0.261SS..Hα-helixtrans-67.5-17.8175.777.10000114.6L11 E12 K13 Y59L11-S15 WeakPolarHBondContact O-CB 3.46Å; L11-S15 PolarHBondContact O-N 3.47Å; E12-S15 PolarHBondContact O-N 3.22Å; E12-S15 PolarHBondContact O-OG 2.83Å; K13-S15 VanDerWaalsContact C-N 3.29Å; K13-S15 PolarHBondContact O-N 2.81Å; S15-Y59 PolarHBondContact O-OH 3.41Å
16K97.3Very high96.7Very high100 Ų10051.1 Ų51.144%0.43527%0.265SS..THydrogen-bonded Turntrans-97-3.5176.2-65.2174.1-171.5172.50112.7E12 K13 A14 E18 Y59E12-K16 WeakPolarHBondContact O-CG 3.49Å; E12-K16 PolarHBondContact O-N 2.87Å; E12-K16 IonicContact OE1-NZ 3.9Å; E12-K16 PolarHBondContact OE1-NZ 2.97Å; K13-K16 PolarHBondContact O-N 2.85Å; A14-K16 PolarHBondContact O-N 2.72Å; K16-E18 VanDerWaalsContact C-N 3.28Å; K16-E18 HydrophobicContact CB-CG 4.06Å; K16-E18 WeakPolarHBondContact CD-OE1 3.25Å; K16-Y59 PolarHBondContact N-OH 3.21Å
17G95.8Very high96.8Very high16 Ų1648.4 Ų48.417%0.16525%0.254CS..THydrogen-bonded Turntrans74.719.7-175.400000113K13 A14 Y59 Q92K13-G17 PolarHBondContact O-N 3.4Å; A14-G17 PolarHBondContact O-N 3.05Å; G17-Y59 WeakPolarHBondContact CA-OH 3.49Å; G17-Y59 VanDerWaalsContact N-CZ 3.31Å; G17-Y59 PolarHBondContact N-OH 3.4Å; G17-Q92 WeakPolarHBondContact O-CG 3.27Å
18E97.4Very high96.8Very high89 Ų8946.9 Ų46.942%0.41625%0.246SC..PPolyproline II helixtrans-78145.2175.8-64.4175.8-150.900110.4K13 K16K13-E18 HydrophobicContact CB-CB 4.06Å; K13-E18 WeakPolarHBondContact O-CB 3.25Å; K13-E18 PolarHBondContact O-N 2.82Å; K16-E18 VanDerWaalsContact C-N 3.28Å; K16-E18 HydrophobicContact CB-CG 4.06Å; K16-E18 WeakPolarHBondContact CD-OE1 3.25Å
19L96.6Very high96.8Very high73 Ų7343.2 Ų43.238%0.38223%0.226SC..PPolyproline II helixtrans-75.7130.5172.2-63.8176.2000109.5V91 Q92 K133L19-V91 HydrophobicContact CD2-CB 4.24Å; L19-V91 HydrophobicContact CD2-CG1 3.65Å; L19-Q92 HydrophobicContact CD2-CG 4.1Å; L19-K133 HydrophobicContact CD1-CB 4.27Å; L19-K133 HydrophobicContact CD1-CD 3.96Å; L19-K133 HydrophobicContact CD1-CG 4.19Å; L19-K133 HydrophobicContact CD2-CD 4.08Å
20L96.6Very high96.9Very high2 Ų248 Ų481%0.0124%0.243CC..PPolyproline II helixtrans-74.7151.3165.9-61.4-172.9000109.3C10 K13 D24 L25 V28 T95 T99C10-L20 HydrophobicContact CB-CD1 3.75Å; C10-L20 HydrophobicContact CB-CD2 4.18Å; K13-L20 HydrophobicContact CB-CD2 3.57Å; K13-L20 HydrophobicContact CD-CD2 3.67Å; K13-L20 HydrophobicContact CG-CD2 4.28Å; L20-D24 HydrophobicContact CB-CB 4.26Å; L20-L25 HydrophobicContact CB-CD1 4.29Å; L20-L25 HydrophobicContact CB-CD2 3.77Å; L20-L25 HydrophobicContact CB-CG 3.61Å; L20-L25 HydrophobicContact CD1-CD2 3.99Å; L20-L25 HydrophobicContact CG-CD2 4.26Å; L20-L25 WeakPolarHBondContact O-CD1 3.41Å; L20-V28 HydrophobicContact CD1-CG2 4.38Å; L20-T95 HydrophobicContact CD1-CG2 3.48Å; L20-T95 VanDerWaalsContact CD1-CG2 3.48Å; L20-T95 HydrophobicContact CG-CG2 3.77Å; L20-T99 HydrophobicContact CD1-CG2 4.26Å
21D93.4Very high96.9Very high62 Ų6251 Ų5133%0.33226%0.258SS..PPolyproline II helixtrans-70.9158.7171.26036.8000110.7K3 P23 D24 L25K3-D21 IonicContact NZ-OD1 2.66Å; K3-D21 IonicContact NZ-OD2 3.71Å; K3-D21 PolarHBondContact NZ-OD2 3Å; D21-P23 WeakPolarHBondContact OD1-CD 3.43Å; D21-D24 PolarHBondContact O-N 2.98Å; D21-D24 VanDerWaalsContact O-N 3.16Å; D21-D24 VanDerWaalsContact OD1-CB 3.25Å; D21-D24 WeakPolarHBondContact OD1-CB 3.29Å; D21-D24 VanDerWaalsContact OD1-CG 3.23Å; D21-D24 PolarHBondContact OD1-N 3.1Å; D21-L25 PolarHBondContact O-N 3.36Å
22E91.6Very high96.9Very high55 Ų5550.1 Ų50.126%0.25725%0.254SS..Hα-helixtrans-56-40.8-175.6-174.5-176.6146.500113.3L25 R26E22-L25 PolarHBondContact O-N 2.6Å; E22-R26 WeakPolarHBondContact O-CB 3.28Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 3.36Å; E22-R26 IonicContact OE1-CZ 3.75Å; E22-R26 IonicContact OE1-NE 3.42Å; E22-R26 IonicContact OE1-NH1 3.69Å; E22-R26 PolarHBondContact OE1-NH1 3.3Å; E22-R26 IonicContact OE1-NH2 3.55Å; E22-R26 PolarHBondContact OE1-NH2 2.78Å
23P93.5Very high96.9Very high91 Ų9150.8 Ų50.859%0.59125%0.252SS*.Hα-helixtrans-60.8-46173.8-25.135.9000114D21 R26 A27D21-P23 WeakPolarHBondContact OD1-CD 3.43Å; P23-R26 PolarHBondContact O-N 2.98Å; P23-A27 WeakPolarHBondContact O-CB 3.46Å; P23-A27 PolarHBondContact O-N 2.98Å
24D96.4Very high96.9Very high7 Ų751.7 Ų51.74%0.03726%0.259CS..Hα-helixtrans-64.4-42.2178.2-77.6-12.6000111K3 L20 D21 A27 V28K3-D24 WeakPolarHBondContact CE-OD2 3.49Å; K3-D24 IonicContact NZ-OD1 2.63Å; K3-D24 IonicContact NZ-OD2 2.64Å; K3-D24 PolarHBondContact NZ-OD2 2.92Å; L20-D24 HydrophobicContact CB-CB 4.26Å; D21-D24 PolarHBondContact O-N 2.98Å; D21-D24 VanDerWaalsContact O-N 3.16Å; D21-D24 VanDerWaalsContact OD1-CB 3.25Å; D21-D24 WeakPolarHBondContact OD1-CB 3.29Å; D21-D24 VanDerWaalsContact OD1-CG 3.23Å; D21-D24 PolarHBondContact OD1-N 3.1Å; D24-A27 PolarHBondContact O-N 2.99Å; D24-V28 WeakPolarHBondContact O-CG2 3.43Å; D24-V28 PolarHBondContact O-N 3.08Å
25L96.6Very high96.9Very high6 Ų653 Ų533%0.03127%0.267CS..Hα-helixtrans-61-46.6176.8-76.4170.2000112.3L20 D21 E22 A27 V28 I29 T95 F134 L139L20-L25 HydrophobicContact CB-CD1 4.29Å; L20-L25 HydrophobicContact CB-CD2 3.77Å; L20-L25 HydrophobicContact CB-CG 3.61Å; L20-L25 HydrophobicContact CD1-CD2 3.99Å; L20-L25 HydrophobicContact CG-CD2 4.26Å; L20-L25 WeakPolarHBondContact O-CD1 3.41Å; D21-L25 PolarHBondContact O-N 3.36Å; E22-L25 PolarHBondContact O-N 2.6Å; L25-A27 VanDerWaalsContact C-N 3.27Å; L25-A27 PolarHBondContact O-N 2.83Å; L25-V28 PolarHBondContact O-N 2.87Å; L25-I29 WeakPolarHBondContact O-CB 3.19Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.24Å; L25-T95 HydrophobicContact CD2-CG2 3.79Å; L25-T95 VanDerWaalsContact CD2-OG1 3.25Å; L25-T95 WeakPolarHBondContact CD2-OG1 3.27Å; L25-F134 HydrophobicContact CD1-CE1 3.73Å; L25-F134 HydrophobicContact CD1-CE2 4.46Å; L25-F134 HydrophobicContact CD1-CZ 3.5Å; L25-F134 VanDerWaalsContact CD1-CZ 3.5Å; L25-L139 HydrophobicContact CB-CD1 4.13Å; L25-L139 HydrophobicContact CD1-CD1 4.05Å; L25-L139 HydrophobicContact CD1-CD2 3.86Å
26R95.4Very high97Very high104 Ų10450.9 Ų50.939%0.39225%0.252SS..Hα-helixtrans-61.5-38.4177.2-78.6-177.1169.1145.410.4112E22 P23 I29 K30E22-R26 WeakPolarHBondContact O-CB 3.28Å; E22-R26 WeakPolarHBondContact O-CG 3.46Å; E22-R26 PolarHBondContact O-N 3.36Å; E22-R26 IonicContact OE1-CZ 3.75Å; E22-R26 IonicContact OE1-NE 3.42Å; E22-R26 IonicContact OE1-NH1 3.69Å; E22-R26 PolarHBondContact OE1-NH1 3.3Å; E22-R26 IonicContact OE1-NH2 3.55Å; E22-R26 PolarHBondContact OE1-NH2 2.78Å; P23-R26 PolarHBondContact O-N 2.98Å; R26-I29 PolarHBondContact O-N 3.21Å; R26-K30 WeakPolarHBondContact O-CB 3.39Å; R26-K30 PolarHBondContact O-N 3.46Å
27A97.7Very high97Very high25 Ų2550.5 Ų50.521%0.20725%0.254CS..Hα-helixtrans-64.4-44.617500000111.6F5 P23 D24 L25 K30 L31F5-A27 HydrophobicContact CD1-CB 4.35Å; F5-A27 HydrophobicContact CD2-CB 3.42Å; F5-A27 VanDerWaalsContact CD2-CB 3.42Å; F5-A27 HydrophobicContact CE1-CB 4.42Å; F5-A27 HydrophobicContact CE2-CB 3.5Å; F5-A27 HydrophobicContact CG-CB 3.86Å; F5-A27 HydrophobicContact CZ-CB 4.02Å; P23-A27 WeakPolarHBondContact O-CB 3.46Å; P23-A27 PolarHBondContact O-N 2.98Å; D24-A27 PolarHBondContact O-N 2.99Å; L25-A27 VanDerWaalsContact C-N 3.27Å; L25-A27 PolarHBondContact O-N 2.83Å; A27-K30 PolarHBondContact O-N 3.42Å; A27-L31 VanDerWaalsContact O-CG 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.44Å; A27-L31 PolarHBondContact O-N 3.43Å
28V98.7Very high97Very high1 Ų156.5 Ų56.51%0.00628%0.282CS..Hα-helixtrans-60.9-46.3174.7171.80000111.4F5 L7 C10 L20 D24 L25 K30 L31 A32 L98 T99 V102F5-V28 HydrophobicContact CE2-CG2 4.02Å; F5-V28 HydrophobicContact CZ-CG2 4.13Å; L7-V28 HydrophobicContact CD1-CG2 4.48Å; C10-V28 HydrophobicContact CB-CG2 4.34Å; L20-V28 HydrophobicContact CD1-CG2 4.38Å; D24-V28 WeakPolarHBondContact O-CG2 3.43Å; D24-V28 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 2.87Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.38Å; V28-L31 PolarHBondContact O-N 3Å; V28-A32 WeakPolarHBondContact O-CB 3.31Å; V28-A32 PolarHBondContact O-N 2.88Å; V28-L98 HydrophobicContact CG1-CB 3.79Å; V28-T99 HydrophobicContact CG1-CG2 4.03Å; V28-T99 HydrophobicContact CG2-CG2 3.97Å; V28-V102 HydrophobicContact CG1-CG2 4.45Å
29I98.7Very high97.1Very high17 Ų1753.6 Ų53.69%0.08727%0.269CS..Hα-helixtrans-59.3-44.7178-73.3167.5000110.9L25 R26 A32 R33 L98 L139 L146L25-I29 WeakPolarHBondContact O-CB 3.19Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.24Å; R26-I29 PolarHBondContact O-N 3.21Å; I29-A32 PolarHBondContact O-N 2.91Å; I29-R33 PolarHBondContact O-N 2.93Å; I29-L98 HydrophobicContact CG1-CD1 4.21Å; I29-L139 HydrophobicContact CD1-CD1 3.73Å; I29-L146 HydrophobicContact CG1-CD2 4.34Å; I29-L146 HydrophobicContact CG2-CB 4.08Å; I29-L146 HydrophobicContact CG2-CD2 4.19Å
30K98.2Very high97.2Very high139 Ų13954.3 Ų54.360%0.60427%0.27SS*.Hα-helixtrans-61.7-46.3177.5-175.3-178.7177.3-175.90111.7R26 A27 V28 A32 R33 D34R26-K30 WeakPolarHBondContact O-CB 3.39Å; R26-K30 PolarHBondContact O-N 3.46Å; A27-K30 PolarHBondContact O-N 3.42Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.38Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.87Å; K30-R33 WeakPolarHBondContact O-CB 3.46Å; K30-R33 PolarHBondContact O-N 3.41Å; K30-D34 PolarHBondContact O-N 2.95Å; K30-D34 VanDerWaalsContact O-N 3.17Å
31L98.7Very high97.3Very high62 Ų6254.7 Ų54.733%0.32527%0.272SS..Hα-helixtrans-64.3-39177.5-68.3170.4000111.7F5 A27 V28 R33 D34 V35 V102F5-L31 HydrophobicContact CE1-CD1 3.57Å; F5-L31 HydrophobicContact CZ-CD1 3.79Å; A27-L31 VanDerWaalsContact O-CG 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.44Å; A27-L31 PolarHBondContact O-N 3.43Å; V28-L31 PolarHBondContact O-N 3Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.12Å; L31-D34 PolarHBondContact O-N 3.35Å; L31-V35 WeakPolarHBondContact O-CG2 3.27Å; L31-V35 PolarHBondContact O-N 3.02Å; L31-V35 VanDerWaalsContact O-N 3.08Å; L31-V102 HydrophobicContact CB-CB 4.38Å; L31-V102 HydrophobicContact CB-CG1 3.59Å; L31-V102 HydrophobicContact CB-CG2 3.77Å; L31-V102 HydrophobicContact CD1-CG1 3.85Å; L31-V102 HydrophobicContact CG-CG1 4.31Å
32A98.9Very high97.5Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-64.2-40.4177.100000111.4V28 I29 K30 D34 V35 F36 L98 V102 L146V28-A32 WeakPolarHBondContact O-CB 3.31Å; V28-A32 PolarHBondContact O-N 2.88Å; I29-A32 PolarHBondContact O-N 2.91Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.87Å; A32-D34 VanDerWaalsContact C-N 3.32Å; A32-D34 PolarHBondContact O-N 3.13Å; A32-V35 WeakPolarHBondContact O-CB 3.39Å; A32-V35 PolarHBondContact O-N 3.08Å; A32-F36 HydrophobicContact CB-CD2 4.39Å; A32-F36 HydrophobicContact CB-CE2 4.15Å; A32-F36 WeakPolarHBondContact O-CD2 3.41Å; A32-F36 WeakPolarHBondContact O-CG 3.35Å; A32-F36 PolarHBondContact O-N 3.33Å; A32-L98 HydrophobicContact CB-CD2 3.9Å; A32-V102 HydrophobicContact CB-CG2 3.8Å; A32-L146 HydrophobicContact CB-CD1 4.03Å; A32-L146 HydrophobicContact CB-CD2 4.13Å
33R98.7Very high97.8Very high117 Ų11750 Ų5044%0.44225%0.25SC..Hα-helixtrans-57-47173.7-179.9-172.9178.7-167.71.9111.3I29 K30 L31 V35 F36 L37 L146 Y149I29-R33 PolarHBondContact O-N 2.93Å; K30-R33 WeakPolarHBondContact O-CB 3.46Å; K30-R33 PolarHBondContact O-N 3.41Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.12Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 PolarHBondContact O-N 3.18Å; R33-F36 PolarHBondContact O-N 3.06Å; R33-L37 WeakPolarHBondContact O-CB 3.26Å; R33-L37 PolarHBondContact O-N 3.03Å; R33-L146 HydrophobicContact CB-CD1 3.75Å; R33-L146 VanDerWaalsContact N-CD1 3.34Å; R33-Y149 HydrophobicContact CG-CD1 4Å; R33-Y149 HydrophobicContact CG-CD2 3.89Å; R33-Y149 HydrophobicContact CG-CE1 4.12Å; R33-Y149 HydrophobicContact CG-CE2 3.98Å; R33-Y149 HydrophobicContact CG-CG 3.93Å; R33-Y149 PolarHBondContact NE-OH 2.79Å; R33-Y149 PolarHBondContact NH2-OH 2.84Å
34D98.5Very high98.1Very high73 Ų7353 Ų5339%0.3925%0.253SS..Hα-helixtrans-62.6-36.8179.4-65-21000111.3K30 L31 A32 N38K30-D34 PolarHBondContact O-N 2.95Å; K30-D34 VanDerWaalsContact O-N 3.17Å; L31-D34 PolarHBondContact O-N 3.35Å; A32-D34 VanDerWaalsContact C-N 3.32Å; A32-D34 PolarHBondContact O-N 3.13Å; D34-N38 PolarHBondContact O-ND2 3.14Å
35V98.8Very high98.2Very high29 Ų2953 Ų5318%0.17625%0.253CS..Hα-helixtrans-64.7-54.4172.9174.80000110.8L31 A32 R33 L37 N38 K101 P105L31-V35 WeakPolarHBondContact O-CG2 3.27Å; L31-V35 PolarHBondContact O-N 3.02Å; L31-V35 VanDerWaalsContact O-N 3.08Å; A32-V35 WeakPolarHBondContact O-CB 3.39Å; A32-V35 PolarHBondContact O-N 3.08Å; R33-V35 VanDerWaalsContact C-N 3.28Å; R33-V35 PolarHBondContact O-N 3.18Å; V35-L37 VanDerWaalsContact C-N 3.25Å; V35-L37 PolarHBondContact O-N 3.21Å; V35-N38 PolarHBondContact O-N 3.41Å; V35-K101 HydrophobicContact CG1-CD 4.26Å; V35-K101 HydrophobicContact CG1-CG 4.35Å; V35-P105 HydrophobicContact CG1-CB 3.68Å; V35-P105 HydrophobicContact CG2-CB 4.42Å
36F98.8Very high98.3Very high0 Ų057.5 Ų57.50%028%0.278CS..Hα-helixtrans-61.7-31.6-178-71.1-52.4000113.4A32 R33 N38 E39 L98 K101 L110 L146 M150 R182A32-F36 HydrophobicContact CB-CD2 4.39Å; A32-F36 HydrophobicContact CB-CE2 4.15Å; A32-F36 WeakPolarHBondContact O-CD2 3.41Å; A32-F36 WeakPolarHBondContact O-CG 3.35Å; A32-F36 PolarHBondContact O-N 3.33Å; R33-F36 PolarHBondContact O-N 3.06Å; F36-N38 PolarHBondContact O-N 3.44Å; F36-E39 VanDerWaalsContact CD1-OE2 3.3Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.32Å; F36-E39 PolarHBondContact O-N 3.43Å; F36-E39 VanDerWaalsContact O-N 3.11Å; F36-L98 HydrophobicContact CE2-CD2 4.05Å; F36-L98 HydrophobicContact CZ-CD2 4.34Å; F36-K101 HydrophobicContact CE1-CD 4.37Å; F36-K101 HydrophobicContact CE1-CG 4.22Å; F36-K101 HydrophobicContact CZ-CG 4.08Å; F36-L110 HydrophobicContact CE1-CB 4.1Å; F36-L110 HydrophobicContact CZ-CB 4.04Å; F36-L110 HydrophobicContact CZ-CD1 4.08Å; F36-L146 HydrophobicContact CD2-CD1 3.79Å; F36-L146 HydrophobicContact CD2-CG 4.4Å; F36-L146 HydrophobicContact CE2-CD1 4.08Å; F36-L146 HydrophobicContact CE2-CD2 4.47Å; F36-L146 HydrophobicContact CE2-CG 4.29Å; F36-M150 HydrophobicContact CD2-CG 4.33Å; F36-M150 HydrophobicContact CE1-CG 4.16Å; F36-M150 HydrophobicContact CE2-CE 4.02Å; F36-M150 HydrophobicContact CE2-CG 3.97Å; F36-M150 HydrophobicContact CZ-CE 3.96Å; F36-M150 HydrophobicContact CZ-CG 3.87Å; F36-R182 PolarHBondContact O-NH2 2.89Å
37L98Very high98.4Very high92 Ų9253.8 Ų53.848%0.48227%0.267SS..Hα-helixtrans-60.9-28.6176.4-175.263.8000112.5R33 V35 E39 Y149 F183R33-L37 WeakPolarHBondContact O-CB 3.26Å; R33-L37 PolarHBondContact O-N 3.03Å; V35-L37 VanDerWaalsContact C-N 3.25Å; V35-L37 PolarHBondContact O-N 3.21Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-Y149 HydrophobicContact CB-CD1 4.39Å; L37-Y149 HydrophobicContact CD1-CD1 4.11Å; L37-Y149 HydrophobicContact CD1-CE1 3.96Å; L37-F183 HydrophobicContact CD1-CE1 4.34Å; L37-F183 HydrophobicContact CD1-CZ 4.36Å
38N96.8Very high98.4Very high142 Ų14257 Ų5776%0.75929%0.287SS*.THydrogen-bonded Turntrans-88.60.7179.2-68.8-62.7000113.5D34 V35 F36D34-N38 PolarHBondContact O-ND2 3.14Å; V35-N38 PolarHBondContact O-N 3.41Å; F36-N38 PolarHBondContact O-N 3.44Å
39E98.4Very high98.4Very high28 Ų2857.2 Ų57.213%0.13129%0.287CS..SBendtrans-95.3151.9179.1-61.8-172144.600112.3F36 L37 V43 K101 P151 R182F36-E39 VanDerWaalsContact CD1-OE2 3.3Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.32Å; F36-E39 PolarHBondContact O-N 3.43Å; F36-E39 VanDerWaalsContact O-N 3.11Å; L37-E39 VanDerWaalsContact C-N 3.34Å; E39-V43 HydrophobicContact CB-CG2 4.46Å; E39-K101 WeakPolarHBondContact OE1-CE 3.41Å; E39-K101 IonicContact OE1-NZ 2.9Å; E39-K101 PolarHBondContact OE1-NZ 3.29Å; E39-K101 IonicContact OE2-NZ 2.72Å; E39-P151 HydrophobicContact CB-CG 3.97Å; E39-P151 VanDerWaalsContact OE2-CG 3.27Å; E39-P151 WeakPolarHBondContact OE2-CG 3.31Å; E39-R182 VanDerWaalsContact O-CZ 3.27Å; E39-R182 PolarHBondContact O-NH1 3.34Å; E39-R182 PolarHBondContact O-NH2 3.03Å
40E98Very high98.5Very high88 Ų8856.6 Ų56.641%0.41129%0.285SS..  trans-73.4161.1171.7-65.7-167.8141.200111.1V42 K44 R182E40-V42 WeakPolarHBondContact CB-O 3.2Å; E40-V42 PolarHBondContact O-N 3.12Å; E40-K44 IonicContact OE2-NZ 3.62Å; E40-R182 PolarHBondContact O-NH1 3.45Å
41T98.7Very high98.5Very high10 Ų1050 Ų506%0.06126%0.256CS..SBendtrans-68-33.1177.8-65.60000110.6I152 A153 N178 R182T41-I152 HydrophobicContact CG2-CB 4.24Å; T41-I152 HydrophobicContact CG2-CD1 3.71Å; T41-I152 HydrophobicContact CG2-CG1 4.02Å; T41-I152 PolarHBondContact O-N 3.45Å; T41-A153 PolarHBondContact O-N 3.29Å; T41-N178 PolarHBondContact N-OD1 3.31Å; T41-N178 VanDerWaalsContact N-OD1 3.11Å; T41-R182 VanDerWaalsContact CA-NH1 3.25Å; T41-R182 HydrophobicContact CG2-CB 4.15Å; T41-R182 WeakPolarHBondContact OG1-CD 3.1Å; T41-R182 PolarHBondContact OG1-NH1 3.13Å; T41-R182 VanDerWaalsContact OG1-NH1 3.07Å
42V98.8Very high98.5Very high5 Ų547 Ų473%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-114.2109.3165.1-172.10000109.1E40 A153 V155 I174 M177 N178E40-V42 WeakPolarHBondContact CB-O 3.2Å; E40-V42 PolarHBondContact O-N 3.12Å; V42-A153 CarbonylContact C-O 3.59Å; V42-A153 VanDerWaalsContact CA-O 3.31Å; V42-A153 WeakPolarHBondContact CA-O 3.19Å; V42-A153 HydrophobicContact CG1-CB 4.07Å; V42-A153 HydrophobicContact CG2-CB 4.22Å; V42-V155 HydrophobicContact CG1-CG2 3.89Å; V42-I174 HydrophobicContact CB-CG2 4.35Å; V42-I174 HydrophobicContact CG1-CG2 3.85Å; V42-I174 HydrophobicContact CG2-CG2 4.34Å; V42-M177 HydrophobicContact CG2-CB 3.85Å; V42-N178 HydrophobicContact CG2-CB 4.24Å; V42-N178 PolarHBondContact N-OD1 2.89Å
43V98.7Very high98.5Very high13 Ų1347 Ų478%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-77.3138.4-177.6-169.60000110.7E39 L45 F109 P151 A153 A154 V155E39-V43 HydrophobicContact CB-CG2 4.46Å; V43-L45 HydrophobicContact CG1-CD2 3.61Å; V43-L45 HydrophobicContact CG1-CG 4.1Å; V43-F109 HydrophobicContact CG1-CD1 4Å; V43-F109 HydrophobicContact CG1-CE1 4.11Å; V43-P151 HydrophobicContact CG2-CB 3.55Å; V43-P151 HydrophobicContact CG2-CG 3.54Å; V43-A153 PolarHBondContact N-O 3.15Å; V43-A154 HydrophobicContact CB-CB 4.26Å; V43-A154 CarbonylContact O-C 3.55Å; V43-A154 WeakPolarHBondContact O-CA 3.38Å; V43-A154 WeakPolarHBondContact O-CB 3.18Å; V43-V155 PolarHBondContact O-N 2.87Å
44K98.5Very high98.5Very high154 Ų15441.5 Ų41.567%0.6722%0.22SC*.EExtended strand (participates in β ladder)trans-99.8122.7174.8-64171.5-170.2154.70110.1E40E40-K44 IonicContact OE2-NZ 3.62Å
45L98.6Very high98.5Very high7 Ų738.1 Ų38.14%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-126.1159.9-173.5-57-179.8000110.4V43 L49 V78 F109 A154 V155 V156 D157V43-L45 HydrophobicContact CG1-CD2 3.61Å; V43-L45 HydrophobicContact CG1-CG 4.1Å; L45-L49 HydrophobicContact CB-CD2 3.81Å; L45-L49 HydrophobicContact CD1-CD2 4.09Å; L45-V78 HydrophobicContact CD1-CB 4.05Å; L45-V78 HydrophobicContact CD1-CG2 4.17Å; L45-F109 HydrophobicContact CD1-CB 4.24Å; L45-F109 HydrophobicContact CD1-CD2 3.87Å; L45-F109 HydrophobicContact CD1-CE2 4.41Å; L45-F109 HydrophobicContact CD1-CG 3.95Å; L45-F109 HydrophobicContact CD2-CD1 3.72Å; L45-F109 HydrophobicContact CD2-CD2 3.67Å; L45-F109 HydrophobicContact CD2-CE1 3.48Å; L45-F109 VanDerWaalsContact CD2-CE1 3.48Å; L45-F109 HydrophobicContact CD2-CE2 3.45Å; L45-F109 VanDerWaalsContact CD2-CE2 3.45Å; L45-F109 HydrophobicContact CD2-CG 3.8Å; L45-F109 HydrophobicContact CD2-CZ 3.34Å; L45-F109 HydrophobicContact CG-CD2 4.45Å; L45-A154 HydrophobicContact CD1-CB 3.92Å; L45-A154 HydrophobicContact CG-CB 4.39Å; L45-V155 PolarHBondContact N-O 2.95Å; L45-V156 HydrophobicContact CB-CG2 4.28Å; L45-V156 CarbonylContact O-C 3.59Å; L45-V156 WeakPolarHBondContact O-CA 3.4Å; L45-D157 PolarHBondContact O-N 2.95Å
46N98.3Very high98.5Very high102 Ų10236.9 Ų36.955%0.54519%0.194SC..  trans-127.4146.4173-57.1-66.7000110.2R76 D157N46-R76 PolarHBondContact O-NH1 2.99Å; N46-D157 WeakPolarHBondContact CA-OD1 3.48Å
47S98.2Very high98.5Very high25 Ų2536.9 Ų36.918%0.17519%0.194CC..SBendtrans-65.1156.616955.80000111.5D157 V275 S277S47-D157 WeakPolarHBondContact CB-OD2 3.33Å; S47-D157 PolarHBondContact N-OD1 3.1Å; S47-D157 VanDerWaalsContact OG-CG 3.29Å; S47-D157 PolarHBondContact OG-OD1 3.12Å; S47-D157 PolarHBondContact OG-OD2 2.67Å; S47-V275 WeakPolarHBondContact CB-O 3.46Å; S47-S277 WeakPolarHBondContact OG-CA 3.35Å
48P98.5Very high98.5Very high94 Ų9432.7 Ų32.761%0.6117%0.172SC*.SBendcis-761380.831.9-35.2000113V275P48-V275 VanDerWaalsContact CA-O 3.28Å; P48-V275 WeakPolarHBondContact CA-O 3.5Å
49L98.8Very high98.5Very high4 Ų426.1 Ų26.12%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-156.5169.1170.964.175.9000111.7L45 I51 R76 V78 V156 V275L45-L49 HydrophobicContact CB-CD2 3.81Å; L45-L49 HydrophobicContact CD1-CD2 4.09Å; L49-I51 HydrophobicContact CD1-CD1 4.44Å; L49-I51 HydrophobicContact CD1-CG1 3.72Å; L49-R76 CarbonylContact C-O 3.49Å; L49-R76 WeakPolarHBondContact CA-O 3.43Å; L49-R76 HydrophobicContact CB-CB 3.96Å; L49-R76 HydrophobicContact CB-CG 3.79Å; L49-V78 HydrophobicContact CD1-CG1 3.94Å; L49-V156 HydrophobicContact CD1-CG1 4.29Å; L49-V156 HydrophobicContact CD1-CG2 4.18Å; L49-V156 HydrophobicContact CD2-CB 4.45Å; L49-V156 HydrophobicContact CD2-CG1 3.68Å; L49-V156 HydrophobicContact CD2-CG2 3.92Å; L49-V156 HydrophobicContact CG-CG1 4.01Å; L49-V275 PolarHBondContact N-O 3.23Å; L49-V275 PolarHBondContact O-N 2.89Å
50T98.9Very high98.5Very high5 Ų526.1 Ų26.13%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-118.8125.1178.3-560000110.2R76 Y77 V78 I272 E274T50-R76 PolarHBondContact N-O 2.9Å; T50-Y77 HydrophobicContact CG2-CD1 3.95Å; T50-Y77 HydrophobicContact CG2-CE1 3.73Å; T50-Y77 CarbonylContact O-C 3.11Å; T50-Y77 VanDerWaalsContact O-CA 3.3Å; T50-Y77 WeakPolarHBondContact O-CA 3.45Å; T50-V78 PolarHBondContact O-N 3.15Å; T50-I272 HydrophobicContact CG2-CB 3.62Å; T50-I272 HydrophobicContact CG2-CD1 4.01Å; T50-I272 HydrophobicContact CG2-CG1 4.18Å; T50-I272 HydrophobicContact CG2-CG2 4.19Å; T50-E274 HydrophobicContact CG2-CG 4.03Å
51I98.9Very high98.5Very high0 Ų022 Ų220%012%0.117CC..EExtended strand (participates in β ladder)trans-89.3129.6174.7-60.4166.9000108.7L49 V78 L80 C162 C235 F273 V275L49-I51 HydrophobicContact CD1-CD1 4.44Å; L49-I51 HydrophobicContact CD1-CG1 3.72Å; I51-V78 WeakPolarHBondContact CA-O 3.25Å; I51-V78 HydrophobicContact CB-CG1 4.09Å; I51-V78 HydrophobicContact CG1-CG1 3.51Å; I51-V78 HydrophobicContact CG2-CG1 4.35Å; I51-L80 HydrophobicContact CG2-CD1 3.69Å; I51-L80 HydrophobicContact CG2-CD2 3.93Å; I51-L80 HydrophobicContact CG2-CG 3.86Å; I51-C162 VanDerWaalsContact CD1-SG 3.51Å; I51-C235 HydrophobicContact CD1-CB 3.97Å; I51-C235 HydrophobicContact CG2-CB 4.43Å; I51-F273 HydrophobicContact CB-CB 4.21Å; I51-F273 HydrophobicContact CB-CD1 4.42Å; I51-F273 HydrophobicContact CD1-CD1 3.99Å; I51-F273 HydrophobicContact CD1-CE1 4.49Å; I51-F273 PolarHBondContact N-O 3.28Å; I51-F273 PolarHBondContact O-N 2.81Å; I51-V275 HydrophobicContact CD1-CG2 3.94Å
52C98.9Very high98.6Very high0 Ų021.5 Ų21.50%011%0.114CC..EExtended strand (participates in β ladder)trans-125.3134.8-177.9-59.20000110.7L65 V78 F79 L80C52-L65 HydrophobicContact CB-CD1 4.15Å; C52-V78 PolarHBondContact N-O 3.09Å; C52-F79 HydrophobicContact CB-CD1 3.5Å; C52-F79 HydrophobicContact CB-CE1 3.62Å; C52-F79 HydrophobicContact CB-CG 3.99Å; C52-F79 HydrophobicContact CB-CZ 4.2Å; C52-F79 CarbonylContact O-C 2.98Å; C52-F79 WeakPolarHBondContact O-CA 3.32Å; C52-L80 WeakPolarHBondContact O-CB 3.49Å; C52-L80 VanDerWaalsContact O-CG 3.29Å; C52-L80 WeakPolarHBondContact O-CG 3.25Å; C52-L80 PolarHBondContact O-N 2.82Å
53G98.8Very high98.5Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-83.5-151.9176.100000113.5V256 S258G53-V256 WeakPolarHBondContact CA-O 3.36Å; G53-S258 PolarHBondContact N-OG 2.88Å
54D98.8Very high98.5Very high1 Ų124.8 Ų24.81%0.00513%0.128CC..  trans-59.1145.4-177.7-47.7-114.3000112.7D82 H164 A237 H238 W257 S258 A259D54-D82 HydrophobicContact CB-CB 4.17Å; D54-D82 WeakPolarHBondContact OD1-CB 3.17Å; D54-H164 IonicContact OD1-CE1 3.41Å; D54-H164 PolarHBondContact OD1-CE1 2.85Å; D54-H164 VanDerWaalsContact OD1-CE1 3.3Å; D54-A237 VanDerWaalsContact OD2-CB 3.23Å; D54-A237 WeakPolarHBondContact OD2-CB 3.3Å; D54-H238 PolarHBondContact OD1-N 2.85Å; D54-H238 PolarHBondContact OD2-N 2.92Å; D54-W257 HydrophobicContact CB-CD2 4.44Å; D54-W257 HydrophobicContact CB-CE3 4.03Å; D54-W257 HydrophobicContact CB-CH2 3.71Å; D54-W257 HydrophobicContact CB-CZ2 4.13Å; D54-W257 HydrophobicContact CB-CZ3 3.67Å; D54-W257 WeakPolarHBondContact OD1-CZ3 3.35Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.3Å; D54-S258 CarbonylContact O-C 3.58Å; D54-S258 WeakPolarHBondContact O-CA 3.26Å; D54-S258 WeakPolarHBondContact O-CB 3.31Å; D54-S258 PolarHBondContact O-N 3.42Å; D54-A259 WeakPolarHBondContact O-CB 3.43Å; D54-A259 PolarHBondContact O-N 2.86Å; D54-A259 VanDerWaalsContact O-N 3.12Å
55I98.8Very high98.5Very high2 Ų217.4 Ų17.41%0.0110%0.096CC..  trans-121.7-35.6178.4-53.3-63.1000112.2G57 Q58 L62 L65 F79 D82 T93I55-G57 PolarHBondContact O-N 3.3Å; I55-Q58 VanDerWaalsContact O-CB 3.27Å; I55-Q58 WeakPolarHBondContact O-CB 3.34Å; I55-Q58 PolarHBondContact O-N 3.44Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; I55-L62 HydrophobicContact CD1-CD1 4.19Å; I55-L62 HydrophobicContact CG2-CB 4.03Å; I55-L65 HydrophobicContact CD1-CD1 4.02Å; I55-F79 HydrophobicContact CD1-CD1 4.21Å; I55-F79 HydrophobicContact CD1-CE1 3.95Å; I55-F79 HydrophobicContact CG1-CD1 4.06Å; I55-F79 HydrophobicContact CG1-CE1 4.14Å; I55-D82 PolarHBondContact N-O 2.98Å; I55-T93 HydrophobicContact CB-CG2 4.22Å; I55-T93 HydrophobicContact CG2-CG2 3.52Å
56H98.4Very high98.5Very high3 Ų317.1 Ų17.11%0.0149%0.094CC..THydrogen-bonded Turntrans48.354.6171-81.6-51000115Q58 D82 V84 D85 R86 G87 H115 W257 Y262H56-Q58 PolarHBondContact O-N 2.77Å; H56-D82 IonicContact CE1-OD2 3.76Å; H56-D82 PolarHBondContact N-O 3.11Å; H56-D82 IonicContact NE2-OD2 3.63Å; H56-V84 PolarHBondContact ND1-O 2.64Å; H56-D85 CarbonylContact C-O 3.49Å; H56-D85 VanDerWaalsContact CA-O 3.23Å; H56-D85 WeakPolarHBondContact CA-O 3.46Å; H56-D85 WeakPolarHBondContact CB-O 3.31Å; H56-R86 HydrophobicContact CB-CB 4.13Å; H56-G87 WeakPolarHBondContact O-CA 3.35Å; H56-G87 PolarHBondContact O-N 2.93Å; H56-H115 AromaticContact CE1-CD2 3.56Å; H56-H115 AromaticContact CE1-CE1 3.9Å; H56-H115 AromaticContact CE1-CG 3.8Å; H56-H115 AromaticContact CE1-ND1 4Å; H56-H115 AromaticContact CE1-NE2 3.64Å; H56-W257 AromaticContact CD2-CH2 3.89Å; H56-Y262 HydrophobicContact CB-CE2 3.88Å; H56-Y262 AromaticContact CD2-CE2 3.2Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.43Å; H56-Y262 AromaticContact CD2-CZ 3.62Å; H56-Y262 PolarHBondContact CD2-OH 3.49Å; H56-Y262 AromaticContact CG-CE2 3.72Å; H56-Y262 AromaticContact NE2-CE2 3.88Å; H56-Y262 AromaticContact NE2-CZ 3.81Å; H56-Y262 PolarHBondContact NE2-OH 2.84Å; H56-Y262 VanDerWaalsContact NE2-OH 3.12Å
57G98.2Very high98.5Very high0 Ų018.7 Ų18.70%010%0.096CC..THydrogen-bonded Turntrans61.219.7175.600000114.8I55 Y59 Y83 H89 T93I55-G57 PolarHBondContact O-N 3.3Å; G57-Y59 PolarHBondContact O-N 3.1Å; G57-Y83 PolarHBondContact N-O 3.05Å; G57-H89 CarbonylContact O-C 3.37Å; G57-H89 VanDerWaalsContact O-CA 3.31Å; G57-H89 WeakPolarHBondContact O-CA 3.24Å; G57-H89 VanDerWaalsContact O-CB 3.3Å; G57-H89 WeakPolarHBondContact O-CB 3.2Å; G57-H89 PolarHBondContact O-N 2.76Å; G57-T93 WeakPolarHBondContact CA-OG1 3.49Å
58Q98.1Very high98.5Very high3 Ų320.6 Ų20.61%0.01410%0.104CC..  trans-92.363.5177.2-66.1-172.6-128.600111.4I55 H56 F60 D61 L62 P260I55-Q58 VanDerWaalsContact O-CB 3.27Å; I55-Q58 WeakPolarHBondContact O-CB 3.34Å; I55-Q58 PolarHBondContact O-N 3.44Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; H56-Q58 PolarHBondContact O-N 2.77Å; Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 3.23Å; Q58-D61 HydrophobicContact CB-CB 4.1Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.18Å; Q58-D61 PolarHBondContact NE2-OD2 2.66Å; Q58-D61 PolarHBondContact O-N 3.19Å; Q58-L62 PolarHBondContact O-N 3.31Å; Q58-P260 PolarHBondContact NE2-O 3.5Å
59Y98.4Very high98.5Very high4 Ų416.6 Ų16.62%0.0168%0.08CC..Hα-helixtrans-49.4-44.6-174.3171.3-92.1000114.5A14 S15 K16 G17 G57 D61 L62 E63 Q92 T93 R96A14-Y59 VanDerWaalsContact O-CE2 3.28Å; A14-Y59 WeakPolarHBondContact O-CE2 3.49Å; A14-Y59 PolarHBondContact O-OH 3.15Å; S15-Y59 PolarHBondContact O-OH 3.41Å; K16-Y59 PolarHBondContact N-OH 3.21Å; G17-Y59 WeakPolarHBondContact CA-OH 3.49Å; G17-Y59 VanDerWaalsContact N-CZ 3.31Å; G17-Y59 PolarHBondContact N-OH 3.4Å; G57-Y59 PolarHBondContact O-N 3.1Å; Y59-D61 VanDerWaalsContact C-N 3.29Å; Y59-D61 PolarHBondContact O-N 3.44Å; Y59-L62 WeakPolarHBondContact O-CB 3.38Å; Y59-L62 PolarHBondContact O-N 3.29Å; Y59-E63 HydrophobicContact CE1-CG 3.92Å; Y59-E63 HydrophobicContact CE2-CG 4.24Å; Y59-E63 PolarHBondContact O-N 2.74Å; Y59-E63 VanDerWaalsContact O-N 3.13Å; Y59-Q92 HydrophobicContact CD2-CB 3.59Å; Y59-Q92 HydrophobicContact CE2-CB 4.32Å; Y59-Q92 HydrophobicContact CG-CB 3.73Å; Y59-T93 WeakPolarHBondContact CA-OG1 3.14Å; Y59-T93 PolarHBondContact N-OG1 2.93Å; Y59-R96 HydrophobicContact CD2-CB 4.3Å; Y59-R96 HydrophobicContact CE2-CB 3.96Å; Y59-R96 HydrophobicContact CE2-CG 4.08Å
60F98.1Very high98.4Very high29 Ų2917.4 Ų17.413%0.1279%0.089CC..Hα-helixtrans-69.2-31.5-178.1-59.6-60.2000112.4Q58 E63 E64 H89 A289 R291Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 3.23Å; F60-E63 PolarHBondContact O-N 2.86Å; F60-E64 PolarHBondContact O-N 2.98Å; F60-E64 VanDerWaalsContact O-N 3.15Å; F60-H89 AromaticContact CE2-NE2 3.64Å; F60-A289 HydrophobicContact CB-CB 3.82Å; F60-R291 HydrophobicContact CB-CB 4.36Å; F60-R291 HydrophobicContact CD1-CB 4.18Å; F60-R291 HydrophobicContact CD2-CB 4.03Å; F60-R291 VanDerWaalsContact CE1-NH1 3.34Å; F60-R291 VanDerWaalsContact CE1-NH2 3.27Å; F60-R291 HydrophobicContact CE2-CB 4.42Å; F60-R291 HydrophobicContact CG-CB 3.91Å; F60-R291 VanDerWaalsContact CZ-NH2 3.33Å
61D98.3Very high98.4Very high1 Ų121.1 Ų21.11%0.00511%0.106CC..Hα-helixtrans-74.9-31.1176.4-53.4-41.3000110.9Q58 Y59 E63 E64 L65 P260 P288 A289 S292Q58-D61 HydrophobicContact CB-CB 4.1Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.18Å; Q58-D61 PolarHBondContact NE2-OD2 2.66Å; Q58-D61 PolarHBondContact O-N 3.19Å; Y59-D61 VanDerWaalsContact C-N 3.29Å; Y59-D61 PolarHBondContact O-N 3.44Å; D61-E63 VanDerWaalsContact C-N 3.31Å; D61-E63 PolarHBondContact O-N 3.23Å; D61-E64 PolarHBondContact O-N 3.33Å; D61-L65 PolarHBondContact O-N 3.2Å; D61-P260 HydrophobicContact CB-CG 3.74Å; D61-P288 WeakPolarHBondContact OD1-CA 3.36Å; D61-A289 WeakPolarHBondContact OD1-CB 3.26Å; D61-A289 PolarHBondContact OD1-N 2.84Å; D61-S292 VanDerWaalsContact CG-OG 3.26Å; D61-S292 WeakPolarHBondContact OD1-CB 3.44Å; D61-S292 PolarHBondContact OD1-OG 3.19Å; D61-S292 PolarHBondContact OD2-OG 2.95Å
62L98.7Very high98.4Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-60.6-38.1167.5174.764.8000112I55 Q58 Y59 L65 F66 F79 T93 R96 L97I55-L62 HydrophobicContact CD1-CD1 4.19Å; I55-L62 HydrophobicContact CG2-CB 4.03Å; Q58-L62 PolarHBondContact O-N 3.31Å; Y59-L62 WeakPolarHBondContact O-CB 3.38Å; Y59-L62 PolarHBondContact O-N 3.29Å; L62-L65 HydrophobicContact CD1-CD2 4.45Å; L62-L65 VanDerWaalsContact O-CB 3.32Å; L62-L65 WeakPolarHBondContact O-CB 3.36Å; L62-L65 PolarHBondContact O-N 3.1Å; L62-F66 HydrophobicContact CD1-CD2 4.26Å; L62-F66 HydrophobicContact CD1-CE2 3.68Å; L62-F66 HydrophobicContact CD1-CZ 3.85Å; L62-F66 HydrophobicContact CD2-CE2 4.13Å; L62-F66 HydrophobicContact CG-CD2 4.16Å; L62-F66 HydrophobicContact CG-CE2 3.7Å; L62-F66 HydrophobicContact CG-CZ 4.36Å; L62-F66 WeakPolarHBondContact O-CD2 3.26Å; L62-F66 PolarHBondContact O-N 3.23Å; L62-F79 HydrophobicContact CD1-CE1 3.7Å; L62-F79 HydrophobicContact CD1-CZ 3.84Å; L62-T93 HydrophobicContact CD2-CG2 4.16Å; L62-R96 HydrophobicContact CD2-CB 4.25Å; L62-R96 HydrophobicContact CD2-CG 3.97Å; L62-L97 HydrophobicContact CD1-CD2 4.21Å; L62-L97 HydrophobicContact CD2-CD2 4.03Å; L62-L97 HydrophobicContact CD2-CG 4.06Å
63E98.3Very high98.3Very high25 Ų2524.7 Ų24.712%0.11713%0.129CC..Hα-helixtrans-71.7-31.8175.5-65.5-57.312900112.3Y59 F60 D61 L65 F66 K67 R96Y59-E63 HydrophobicContact CE1-CG 3.92Å; Y59-E63 HydrophobicContact CE2-CG 4.24Å; Y59-E63 PolarHBondContact O-N 2.74Å; Y59-E63 VanDerWaalsContact O-N 3.13Å; F60-E63 PolarHBondContact O-N 2.86Å; D61-E63 VanDerWaalsContact C-N 3.31Å; D61-E63 PolarHBondContact O-N 3.23Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-F66 PolarHBondContact O-N 3.07Å; E63-K67 VanDerWaalsContact O-CG 3.31Å; E63-K67 WeakPolarHBondContact O-CG 3.35Å; E63-K67 PolarHBondContact O-N 3.07Å; E63-R96 WeakPolarHBondContact OE1-CD 3.38Å; E63-R96 WeakPolarHBondContact OE1-CG 3.29Å; E63-R96 IonicContact OE1-CZ 3.63Å; E63-R96 IonicContact OE1-NE 3.45Å; E63-R96 PolarHBondContact OE1-NE 3.04Å; E63-R96 IonicContact OE1-NH2 3.08Å; E63-R96 IonicContact OE2-NE 3.33Å; E63-R96 IonicContact OE2-NH2 2.94Å; E63-R96 PolarHBondContact OE2-NH2 3.33Å
64E97.8Very high98.3Very high61 Ų6130.2 Ų30.229%0.28517%0.168SC..Hα-helixtrans-65.4-38.8169.1-65.1-54.813800111.8F60 D61 F66 K67 L68 F286 A289F60-E64 PolarHBondContact O-N 2.98Å; F60-E64 VanDerWaalsContact O-N 3.15Å; D61-E64 PolarHBondContact O-N 3.33Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-F66 PolarHBondContact O-N 3.4Å; E64-K67 WeakPolarHBondContact O-CB 3.16Å; E64-K67 PolarHBondContact O-N 3.19Å; E64-K67 VanDerWaalsContact O-N 3.15Å; E64-K67 IonicContact OE1-NZ 3.71Å; E64-K67 PolarHBondContact OE1-NZ 3.11Å; E64-K67 IonicContact OE2-NZ 3.72Å; E64-L68 PolarHBondContact O-N 2.8Å; E64-F286 HydrophobicContact CB-CD2 4.2Å; E64-F286 HydrophobicContact CB-CE2 4.5Å; E64-A289 HydrophobicContact CG-CB 3.54Å
65L98.5Very high98.3Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-55.9-48.2172.2178.2157.7000111.3C52 I55 D61 L62 E63 K67 L68 G69 Y77 F79 I272 F286C52-L65 HydrophobicContact CB-CD1 4.15Å; I55-L65 HydrophobicContact CD1-CD1 4.02Å; D61-L65 PolarHBondContact O-N 3.2Å; L62-L65 HydrophobicContact CD1-CD2 4.45Å; L62-L65 VanDerWaalsContact O-CB 3.32Å; L62-L65 WeakPolarHBondContact O-CB 3.36Å; L62-L65 PolarHBondContact O-N 3.1Å; E63-L65 VanDerWaalsContact C-N 3.35Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.46Å; L65-L68 PolarHBondContact O-N 3.35Å; L65-G69 PolarHBondContact O-N 2.93Å; L65-Y77 HydrophobicContact CD2-CD1 4.47Å; L65-Y77 HydrophobicContact CD2-CE1 3.96Å; L65-F79 HydrophobicContact CD1-CE1 4.26Å; L65-F79 HydrophobicContact CD2-CE1 4.43Å; L65-F79 HydrophobicContact CD2-CZ 4.11Å; L65-I272 HydrophobicContact CD1-CG2 3.71Å; L65-I272 HydrophobicContact CD2-CG2 4.14Å; L65-I272 HydrophobicContact CG-CG2 3.49Å; L65-I272 VanDerWaalsContact CG-CG2 3.49Å; L65-F286 HydrophobicContact CB-CE1 4.35Å; L65-F286 HydrophobicContact CB-CE2 4.29Å; L65-F286 HydrophobicContact CB-CZ 3.82Å; L65-F286 HydrophobicContact CD1-CZ 4.23Å; L65-F286 HydrophobicContact CG-CZ 4.36Å
66F98.7Very high98.3Very high1 Ų134.4 Ų34.40%0.00419%0.187CC..Hα-helixtrans-69.5-26.7177.9-69-47.6000113.6L62 E63 E64 G70 Q71 V72 Y77 F79 R96 L97 L100L62-F66 HydrophobicContact CD1-CD2 4.26Å; L62-F66 HydrophobicContact CD1-CE2 3.68Å; L62-F66 HydrophobicContact CD1-CZ 3.85Å; L62-F66 HydrophobicContact CD2-CE2 4.13Å; L62-F66 HydrophobicContact CG-CD2 4.16Å; L62-F66 HydrophobicContact CG-CE2 3.7Å; L62-F66 HydrophobicContact CG-CZ 4.36Å; L62-F66 WeakPolarHBondContact O-CD2 3.26Å; L62-F66 PolarHBondContact O-N 3.23Å; E63-F66 PolarHBondContact O-N 3.07Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-F66 PolarHBondContact O-N 3.4Å; F66-G70 CarbonylContact O-C 3.15Å; F66-G70 VanDerWaalsContact O-CA 3.29Å; F66-G70 WeakPolarHBondContact O-CA 3.48Å; F66-G70 PolarHBondContact O-N 2.78Å; F66-Q71 VanDerWaalsContact C-NE2 3.28Å; F66-Q71 PolarHBondContact O-NE2 2.88Å; F66-V72 HydrophobicContact CE1-CG2 4.39Å; F66-Y77 HydrophobicContact CD1-CE1 4.39Å; F66-Y77 AromaticContact CD1-CE2 3.94Å; F66-Y77 HydrophobicContact CD1-CE2 3.94Å; F66-Y77 AromaticContact CD1-CZ 3.87Å; F66-Y77 HydrophobicContact CE1-CD2 4.15Å; F66-Y77 HydrophobicContact CE1-CE1 4.49Å; F66-Y77 HydrophobicContact CE1-CE2 4.03Å; F66-Y77 HydrophobicContact CE1-CG 4.41Å; F66-F79 HydrophobicContact CE1-CE2 4.21Å; F66-F79 AromaticContact CE1-CZ 3.85Å; F66-F79 HydrophobicContact CE1-CZ 3.85Å; F66-F79 HydrophobicContact CZ-CE2 4.28Å; F66-F79 AromaticContact CZ-CZ 3.85Å; F66-F79 HydrophobicContact CZ-CZ 3.85Å; F66-R96 HydrophobicContact CE2-CG 4.34Å; F66-L97 HydrophobicContact CZ-CD2 4.24Å; F66-L100 HydrophobicContact CE2-CD1 3.9Å; F66-L100 HydrophobicContact CZ-CD1 3.72Å
67K97.9Very high98.3Very high135 Ų13534.2 Ų34.259%0.58719%0.186SC*.Hα-helixtrans-68.7-38.5170.8-71.5170.4-167.8172.60111.5E63 E64 L65E63-K67 VanDerWaalsContact O-CG 3.31Å; E63-K67 WeakPolarHBondContact O-CG 3.35Å; E63-K67 PolarHBondContact O-N 3.07Å; E64-K67 WeakPolarHBondContact O-CB 3.16Å; E64-K67 PolarHBondContact O-N 3.19Å; E64-K67 VanDerWaalsContact O-N 3.15Å; E64-K67 IonicContact OE1-NZ 3.71Å; E64-K67 PolarHBondContact OE1-NZ 3.11Å; E64-K67 IonicContact OE2-NZ 3.72Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.46Å
68L98.3Very high98.3Very high64 Ų6434.2 Ų34.234%0.33519%0.186SC..Hα-helixtrans-73.1-51.1179.6-178.568.6000112.4E64 L65 I272 K284 F286E64-L68 PolarHBondContact O-N 2.8Å; L65-L68 PolarHBondContact O-N 3.35Å; L68-I272 HydrophobicContact CB-CD1 4.35Å; L68-I272 HydrophobicContact CD2-CD1 3.88Å; L68-I272 HydrophobicContact CD2-CG1 3.96Å; L68-I272 HydrophobicContact CG-CD1 3.89Å; L68-I272 HydrophobicContact CG-CG1 4.49Å; L68-K284 HydrophobicContact CD1-CB 4.46Å; L68-K284 HydrophobicContact CD2-CB 3.85Å; L68-K284 HydrophobicContact CG-CB 4.28Å; L68-F286 HydrophobicContact CD2-CB 4.09Å; L68-F286 HydrophobicContact CD2-CD1 3.76Å; L68-F286 HydrophobicContact CD2-CG 4.25Å
69G98.2Very high98.4Very high10 Ų1034.1 Ų34.110%0.10319%0.185CC..Hα-helixtrans-84.1-19.9-175.700000114.6L65 T75 Y77 I272L65-G69 PolarHBondContact O-N 2.93Å; G69-T75 WeakPolarHBondContact O-CG2 3.34Å; G69-T75 PolarHBondContact O-OG1 2.87Å; G69-Y77 VanDerWaalsContact CA-OH 3.31Å; G69-Y77 WeakPolarHBondContact CA-OH 3.15Å; G69-Y77 PolarHBondContact O-OH 3.24Å; G69-I272 VanDerWaalsContact CA-CD1 3.41Å
70G98.3Very high98.4Very high21 Ų2133.9 Ų33.922%0.21618%0.184CC..  trans107.5157.1-177.400000113.5F66 T75 Y77F66-G70 CarbonylContact O-C 3.15Å; F66-G70 VanDerWaalsContact O-CA 3.29Å; F66-G70 WeakPolarHBondContact O-CA 3.48Å; F66-G70 PolarHBondContact O-N 2.78Å; G70-T75 WeakPolarHBondContact CA-OG1 3.18Å; G70-Y77 PolarHBondContact N-OH 2.74Å; G70-Y77 WeakPolarHBondContact O-CE2 3.34Å; G70-Y77 PolarHBondContact O-OH 3.45Å
71Q98Very high98.4Very high83 Ų8332.5 Ų32.539%0.38818%0.178SC..  trans-83.5142.6-173.8-62.1-65.9-46.900111.7F66 S74 T75F66-Q71 VanDerWaalsContact C-NE2 3.28Å; F66-Q71 PolarHBondContact O-NE2 2.88Å; Q71-S74 WeakPolarHBondContact O-CA 3.29Å; Q71-S74 WeakPolarHBondContact O-CB 3.45Å; Q71-S74 PolarHBondContact O-N 2.9Å; Q71-T75 PolarHBondContact O-N 3.18Å; Q71-T75 VanDerWaalsContact O-N 3.09Å
72V98.3Very high98.5Very high16 Ų1632.6 Ų32.610%0.09718%0.179CC..THydrogen-bonded Turntrans-68.6135.8166.7-177.80000108.4F66 Y77 L100 Y104 Q107F66-V72 HydrophobicContact CE1-CG2 4.39Å; V72-Y77 HydrophobicContact CG2-CD2 3.68Å; V72-Y77 HydrophobicContact CG2-CE2 3.89Å; V72-L100 HydrophobicContact CB-CD2 4.04Å; V72-L100 HydrophobicContact CG1-CD2 4.21Å; V72-L100 HydrophobicContact CG2-CD1 4.36Å; V72-Y104 HydrophobicContact CG1-CD2 3.5Å; V72-Y104 VanDerWaalsContact CG1-CD2 3.5Å; V72-Y104 HydrophobicContact CG1-CE2 4.22Å; V72-Y104 HydrophobicContact CG1-CG 3.85Å; V72-Q107 HydrophobicContact CG1-CB 4.05Å
73P97.8Very high98.5Very high60 Ų6032.6 Ų32.639%0.3918%0.179SC..THydrogen-bonded Turncis-95.16.210.237.6-36.6000115.7T75 Y104 Q107P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.99Å; P73-Y104 HydrophobicContact CB-CD1 3.7Å; P73-Y104 HydrophobicContact CB-CE1 3.87Å; P73-Y104 HydrophobicContact CB-CG 4.09Å; P73-Y104 HydrophobicContact CG-CD1 4.13Å; P73-Y104 HydrophobicContact CG-CE1 3.75Å; P73-Q107 HydrophobicContact CB-CG 4.08Å
74S98Very high98.5Very high115 Ų11531.4 Ų31.480%0.80417%0.173SC*.THydrogen-bonded Turntrans-67.8-30.2-179.4-56.10000113Q71Q71-S74 WeakPolarHBondContact O-CA 3.29Å; Q71-S74 WeakPolarHBondContact O-CB 3.45Å; Q71-S74 PolarHBondContact O-N 2.9Å
75T98.6Very high98.5Very high30 Ų3028.5 Ų28.518%0.18416%0.16CC..SBendtrans-116.5138.9174.5-56.40000109.9G69 G70 Q71 P73 Y77G69-T75 WeakPolarHBondContact O-CG2 3.34Å; G69-T75 PolarHBondContact O-OG1 2.87Å; G70-T75 WeakPolarHBondContact CA-OG1 3.18Å; Q71-T75 PolarHBondContact O-N 3.18Å; Q71-T75 VanDerWaalsContact O-N 3.09Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.99Å; T75-Y77 HydrophobicContact CG2-CD2 4.19Å; T75-Y77 HydrophobicContact CG2-CE1 4.26Å; T75-Y77 HydrophobicContact CG2-CE2 3.52Å
76R98.8Very high98.4Very high61 Ų6133 Ų3323%0.2318%0.177CC..  trans-94.9140.5176.1-179.9175.7-72.5-177.7-11.9111N46 L49 T50 E106 Q107 F109N46-R76 PolarHBondContact O-NH1 2.99Å; L49-R76 CarbonylContact C-O 3.49Å; L49-R76 WeakPolarHBondContact CA-O 3.43Å; L49-R76 HydrophobicContact CB-CB 3.96Å; L49-R76 HydrophobicContact CB-CG 3.79Å; T50-R76 PolarHBondContact N-O 2.9Å; R76-E106 PolarHBondContact NE-O 2.89Å; R76-E106 VanDerWaalsContact NE-O 3.09Å; R76-E106 PolarHBondContact NH2-O 3.38Å; R76-Q107 CarbonylContact C-O 3.42Å; R76-Q107 VanDerWaalsContact CA-O 3.27Å; R76-Q107 WeakPolarHBondContact CA-O 3.1Å; R76-F109 HydrophobicContact CG-CD2 4.49Å; R76-F109 HydrophobicContact CG-CE2 4.14Å
77Y98.9Very high98.3Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-130.7144.9-176.8-69-87.7000113T50 L65 F66 G69 G70 V72 T75 F79 Q107 I108 F109T50-Y77 HydrophobicContact CG2-CD1 3.95Å; T50-Y77 HydrophobicContact CG2-CE1 3.73Å; T50-Y77 CarbonylContact O-C 3.11Å; T50-Y77 VanDerWaalsContact O-CA 3.3Å; T50-Y77 WeakPolarHBondContact O-CA 3.45Å; L65-Y77 HydrophobicContact CD2-CD1 4.47Å; L65-Y77 HydrophobicContact CD2-CE1 3.96Å; F66-Y77 HydrophobicContact CD1-CE1 4.39Å; F66-Y77 AromaticContact CD1-CE2 3.94Å; F66-Y77 HydrophobicContact CD1-CE2 3.94Å; F66-Y77 AromaticContact CD1-CZ 3.87Å; F66-Y77 HydrophobicContact CE1-CD2 4.15Å; F66-Y77 HydrophobicContact CE1-CE1 4.49Å; F66-Y77 HydrophobicContact CE1-CE2 4.03Å; F66-Y77 HydrophobicContact CE1-CG 4.41Å; G69-Y77 VanDerWaalsContact CA-OH 3.31Å; G69-Y77 WeakPolarHBondContact CA-OH 3.15Å; G69-Y77 PolarHBondContact O-OH 3.24Å; G70-Y77 PolarHBondContact N-OH 2.74Å; G70-Y77 WeakPolarHBondContact O-CE2 3.34Å; G70-Y77 PolarHBondContact O-OH 3.45Å; V72-Y77 HydrophobicContact CG2-CD2 3.68Å; V72-Y77 HydrophobicContact CG2-CE2 3.89Å; T75-Y77 HydrophobicContact CG2-CD2 4.19Å; T75-Y77 HydrophobicContact CG2-CE1 4.26Å; T75-Y77 HydrophobicContact CG2-CE2 3.52Å; Y77-F79 HydrophobicContact CD1-CE2 4.3Å; Y77-F79 HydrophobicContact CG-CE2 4.11Å; Y77-Q107 PolarHBondContact N-O 3.44Å; Y77-I108 WeakPolarHBondContact O-CA 3.39Å; Y77-F109 WeakPolarHBondContact O-CD2 3.43Å; Y77-F109 PolarHBondContact O-N 3.06Å
78V98.9Very high98.1Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-122.7120.5160.2610000108.9L45 L49 T50 I51 C52 F109 L111 A154L45-V78 HydrophobicContact CD1-CB 4.05Å; L45-V78 HydrophobicContact CD1-CG2 4.17Å; L49-V78 HydrophobicContact CD1-CG1 3.94Å; T50-V78 PolarHBondContact O-N 3.15Å; I51-V78 WeakPolarHBondContact CA-O 3.25Å; I51-V78 HydrophobicContact CB-CG1 4.09Å; I51-V78 HydrophobicContact CG1-CG1 3.51Å; I51-V78 HydrophobicContact CG2-CG1 4.35Å; C52-V78 PolarHBondContact N-O 3.09Å; V78-F109 CarbonylContact C-O 3.52Å; V78-F109 WeakPolarHBondContact CA-O 3.32Å; V78-F109 HydrophobicContact CB-CB 4.18Å; V78-F109 HydrophobicContact CG2-CB 4.05Å; V78-L111 HydrophobicContact CG2-CD1 4.04Å; V78-L111 HydrophobicContact CG2-CG 3.98Å; V78-A154 HydrophobicContact CG2-CB 4.32Å
79F99Very high98.1Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-99.2131.3176-71.9-101000109.9C52 I55 L62 L65 F66 Y77 Y83 L97 I108 F109 L110 L111C52-F79 HydrophobicContact CB-CD1 3.5Å; C52-F79 HydrophobicContact CB-CE1 3.62Å; C52-F79 HydrophobicContact CB-CG 3.99Å; C52-F79 HydrophobicContact CB-CZ 4.2Å; C52-F79 CarbonylContact O-C 2.98Å; C52-F79 WeakPolarHBondContact O-CA 3.32Å; I55-F79 HydrophobicContact CD1-CD1 4.21Å; I55-F79 HydrophobicContact CD1-CE1 3.95Å; I55-F79 HydrophobicContact CG1-CD1 4.06Å; I55-F79 HydrophobicContact CG1-CE1 4.14Å; L62-F79 HydrophobicContact CD1-CE1 3.7Å; L62-F79 HydrophobicContact CD1-CZ 3.84Å; L65-F79 HydrophobicContact CD1-CE1 4.26Å; L65-F79 HydrophobicContact CD2-CE1 4.43Å; L65-F79 HydrophobicContact CD2-CZ 4.11Å; F66-F79 HydrophobicContact CE1-CE2 4.21Å; F66-F79 AromaticContact CE1-CZ 3.85Å; F66-F79 HydrophobicContact CE1-CZ 3.85Å; F66-F79 HydrophobicContact CZ-CE2 4.28Å; F66-F79 AromaticContact CZ-CZ 3.85Å; F66-F79 HydrophobicContact CZ-CZ 3.85Å; Y77-F79 HydrophobicContact CD1-CE2 4.3Å; Y77-F79 HydrophobicContact CG-CE2 4.11Å; F79-Y83 HydrophobicContact CB-CE1 3.64Å; F79-Y83 HydrophobicContact CG-CE1 4.44Å; F79-Y83 PolarHBondContact O-OH 2.78Å; F79-Y83 VanDerWaalsContact O-OH 3.13Å; F79-L97 HydrophobicContact CD1-CD2 4.4Å; F79-L97 HydrophobicContact CD2-CD2 4.2Å; F79-L97 HydrophobicContact CE1-CD2 4.08Å; F79-L97 HydrophobicContact CE2-CD2 3.86Å; F79-L97 HydrophobicContact CG-CD2 4.46Å; F79-L97 HydrophobicContact CZ-CD2 3.81Å; F79-I108 HydrophobicContact CD2-CD1 4.41Å; F79-I108 HydrophobicContact CD2-CG1 4.19Å; F79-I108 HydrophobicContact CE2-CD1 3.97Å; F79-I108 HydrophobicContact CE2-CG1 4.12Å; F79-F109 PolarHBondContact N-O 2.96Å; F79-L110 HydrophobicContact CB-CD2 3.92Å; F79-L110 HydrophobicContact CD2-CD2 3.83Å; F79-L110 HydrophobicContact CG-CD2 4.09Å; F79-L111 WeakPolarHBondContact O-CB 3.12Å; F79-L111 PolarHBondContact O-N 2.67Å
80L98.9Very high98.1Very high0 Ų030.7 Ų30.70%016%0.161CC..  trans-82.1-14.4-168.5-62.4-177.8000114.3I51 C52 L111 C162 H164 A237I51-L80 HydrophobicContact CG2-CD1 3.69Å; I51-L80 HydrophobicContact CG2-CD2 3.93Å; I51-L80 HydrophobicContact CG2-CG 3.86Å; C52-L80 WeakPolarHBondContact O-CB 3.49Å; C52-L80 VanDerWaalsContact O-CG 3.29Å; C52-L80 WeakPolarHBondContact O-CG 3.25Å; C52-L80 PolarHBondContact O-N 2.82Å; L80-L111 HydrophobicContact CD2-CD1 3.83Å; L80-C162 HydrophobicContact CD2-CB 3.68Å; L80-H164 WeakPolarHBondContact O-CA 3.28Å; L80-H164 WeakPolarHBondContact O-CB 3.46Å; L80-H164 PolarHBondContact O-ND1 3.18Å; L80-A237 HydrophobicContact CB-CB 3.74Å; L80-A237 HydrophobicContact CD1-CB 3.91Å; L80-A237 HydrophobicContact CG-CB 4.46Å
81G98.8Very high98.1Very high0 Ų029.7 Ų29.70%015%0.151CC..SBendtrans138.8-172.6177.800000112.4Y83 L111G81-Y83 WeakPolarHBondContact O-CE1 3.34Å; G81-L111 WeakPolarHBondContact CA-O 3.26Å
82D98.9Very high98.1Very high3 Ų326.8 Ų26.82%0.01614%0.137CC..  trans54.864.6174.7-747.5000113.4D54 I55 H56 G113 N114 H115 E116 H164D54-D82 HydrophobicContact CB-CB 4.17Å; D54-D82 WeakPolarHBondContact OD1-CB 3.17Å; I55-D82 PolarHBondContact N-O 2.98Å; H56-D82 IonicContact CE1-OD2 3.76Å; H56-D82 PolarHBondContact N-O 3.11Å; H56-D82 IonicContact NE2-OD2 3.63Å; D82-G113 WeakPolarHBondContact OD1-CA 3.49Å; D82-N114 PolarHBondContact OD1-N 3.27Å; D82-N114 PolarHBondContact OD1-OD1 3.02Å; D82-N114 VanDerWaalsContact OD1-OD1 3.11Å; D82-N114 PolarHBondContact OD2-OD1 3.06Å; D82-H115 HydrophobicContact CB-CB 4.36Å; D82-H115 VanDerWaalsContact CG-CD2 3.47Å; D82-H115 WeakPolarHBondContact OD1-CB 3.38Å; D82-H115 IonicContact OD1-CD2 2.67Å; D82-H115 IonicContact OD1-CG 2.74Å; D82-H115 PolarHBondContact OD1-N 2.73Å; D82-H115 IonicContact OD2-CD2 2.62Å; D82-H115 PolarHBondContact OD2-CD2 2.82Å; D82-E116 WeakPolarHBondContact CA-OE2 3.2Å; D82-E116 PolarHBondContact N-OE2 3.23Å; D82-H164 IonicContact OD1-CD2 2.66Å; D82-H164 IonicContact OD1-CE1 2.62Å; D82-H164 PolarHBondContact OD1-CE1 3.01Å; D82-H164 IonicContact OD1-NE2 3.11Å; D82-H164 PolarHBondContact OD1-NE2 3.15Å; D82-H164 VanDerWaalsContact OD1-NE2 3.08Å; D82-H164 IonicContact OD2-CE1 2.64Å; D82-H164 PolarHBondContact OD2-CE1 3.29Å; D82-H164 VanDerWaalsContact OD2-CE1 3.23Å; D82-H164 IonicContact OD2-NE2 2.77Å; D82-H164 PolarHBondContact OD2-NE2 3.21Å
83Y98.9Very high98.1Very high0 Ų026 Ų260%013%0.133CC..  trans-86.6-29.7-178.3-49-41.9000112.8G57 F79 G81 T93 I94 L97 L110 L111 E116 M150G57-Y83 PolarHBondContact N-O 3.05Å; F79-Y83 HydrophobicContact CB-CE1 3.64Å; F79-Y83 HydrophobicContact CG-CE1 4.44Å; F79-Y83 PolarHBondContact O-OH 2.78Å; F79-Y83 VanDerWaalsContact O-OH 3.13Å; G81-Y83 WeakPolarHBondContact O-CE1 3.34Å; Y83-T93 VanDerWaalsContact O-CG2 3.24Å; Y83-T93 WeakPolarHBondContact O-CG2 3.3Å; Y83-I94 HydrophobicContact CD2-CD1 3.82Å; Y83-I94 HydrophobicContact CG-CD1 4.33Å; Y83-L97 HydrophobicContact CD1-CD1 3.66Å; Y83-L97 HydrophobicContact CD2-CD1 4.43Å; Y83-L97 HydrophobicContact CE1-CD1 4.22Å; Y83-L97 HydrophobicContact CG-CD1 3.78Å; Y83-L110 HydrophobicContact CE2-CB 4.14Å; Y83-L110 VanDerWaalsContact OH-C 3.28Å; Y83-L110 WeakPolarHBondContact OH-CA 3.45Å; Y83-L110 WeakPolarHBondContact OH-CB 3.43Å; Y83-L111 PolarHBondContact OH-N 3.39Å; Y83-L111 PolarHBondContact OH-O 3.39Å; Y83-E116 HydrophobicContact CD2-CG 4.04Å; Y83-E116 HydrophobicContact CE2-CG 4.36Å; Y83-E116 PolarHBondContact N-OE1 3.18Å; Y83-M150 HydrophobicContact CD2-CE 4.44Å; Y83-M150 HydrophobicContact CE2-CE 4.13Å; Y83-M150 HydrophobicContact CE2-SD 4.18Å
84V98.8Very high98.2Very high0 Ų023.4 Ų23.40%012%0.115CC..SBendtrans-109.3177.9-173.4-59.60000111.2H56 I94 H115 F126 F147H56-V84 PolarHBondContact ND1-O 2.64Å; V84-I94 HydrophobicContact CG1-CB 4.16Å; V84-H115 HydrophobicContact CG2-CB 4.3Å; V84-F126 HydrophobicContact CB-CB 3.98Å; V84-F126 HydrophobicContact CB-CD1 3.81Å; V84-F126 HydrophobicContact CB-CD2 4.27Å; V84-F126 HydrophobicContact CB-CE1 4.39Å; V84-F126 HydrophobicContact CB-CG 3.76Å; V84-F126 HydrophobicContact CG1-CD1 3.86Å; V84-F126 HydrophobicContact CG1-CD2 4.21Å; V84-F126 HydrophobicContact CG1-CE1 3.93Å; V84-F126 HydrophobicContact CG1-CE2 4.25Å; V84-F126 HydrophobicContact CG1-CG 4.03Å; V84-F126 HydrophobicContact CG1-CZ 4.13Å; V84-F126 HydrophobicContact CG2-CB 4.22Å; V84-F126 HydrophobicContact CG2-CD1 3.8Å; V84-F126 HydrophobicContact CG2-CE1 4.48Å; V84-F126 HydrophobicContact CG2-CG 4.14Å; V84-F147 HydrophobicContact CG1-CZ 4.33Å; V84-F147 HydrophobicContact CG2-CZ 4.5Å
85D98.5Very high98.2Very high0 Ų018.1 Ų18.10%08%0.078CC..SBendtrans66.2166.1-180-65.2-43.7000114.8H56 G87 S90 H115 S121 Y124 G125 F126H56-D85 CarbonylContact C-O 3.49Å; H56-D85 VanDerWaalsContact CA-O 3.23Å; H56-D85 WeakPolarHBondContact CA-O 3.46Å; H56-D85 WeakPolarHBondContact CB-O 3.31Å; D85-G87 PolarHBondContact O-N 2.94Å; D85-S90 PolarHBondContact N-OG 3.14Å; D85-S90 VanDerWaalsContact N-OG 3.1Å; D85-H115 VanDerWaalsContact CB-ND1 3.31Å; D85-H115 WeakPolarHBondContact CB-ND1 3.16Å; D85-H115 IonicContact OD2-CE1 3.49Å; D85-H115 IonicContact OD2-CG 3.83Å; D85-H115 IonicContact OD2-ND1 3.3Å; D85-H115 PolarHBondContact OD2-ND1 3.08Å; D85-S121 VanDerWaalsContact OD2-CA 3.25Å; D85-S121 WeakPolarHBondContact OD2-CA 3.45Å; D85-Y124 WeakPolarHBondContact CA-O 3.35Å; D85-Y124 WeakPolarHBondContact CB-O 3.42Å; D85-Y124 VanDerWaalsContact CG-CB 3.5Å; D85-G125 PolarHBondContact OD1-N 3.27Å; D85-F126 WeakPolarHBondContact OD1-CB 3.23Å; D85-F126 PolarHBondContact OD1-N 3.36Å
86R96.7Very high98.2Very high94 Ų9417.4 Ų17.436%0.3557%0.072SC..SBendtrans66.8-41175.6-46.5-69-169.9118.20115H56 Y124 Y262H56-R86 HydrophobicContact CB-CB 4.13Å; R86-Y124 PolarHBondContact N-O 2.76Å; R86-Y262 HydrophobicContact CB-CE2 4.01Å; R86-Y262 HydrophobicContact CG-CE2 4.24Å; R86-Y262 WeakPolarHBondContact CG-OH 3.5Å
87G95.4Very high98.2Very high9 Ų914.5 Ų14.59%0.0936%0.061CC..SBendtrans-84.5175.1170.400000113.2H56 D85 Y264H56-G87 WeakPolarHBondContact O-CA 3.35Å; H56-G87 PolarHBondContact O-N 2.93Å; D85-G87 PolarHBondContact O-N 2.94Å; G87-Y264 WeakPolarHBondContact CA-OH 3.31Å
88R94.8Very high98.2Very high112 Ų11214.7 Ų14.742%0.4236%0.062SC..SBendtrans-95.8-5.3-175.7-61175.4-176.3179.81.9114.1K133 Y264 A295R88-K133 PolarHBondContact O-NZ 3.26Å; R88-Y264 HydrophobicContact CG-CE2 3.88Å; R88-Y264 PolarHBondContact N-OH 3.37Å; R88-A295 PolarHBondContact NH1-O 2.79Å
89H97.3Very high98.2Very high41 Ų4114.7 Ų14.719%0.196%0.062CC..  trans-13235.4-168.6-54.6-74.1000112.5G57 F60 V91 Q92 T93G57-H89 CarbonylContact O-C 3.37Å; G57-H89 VanDerWaalsContact O-CA 3.31Å; G57-H89 WeakPolarHBondContact O-CA 3.24Å; G57-H89 VanDerWaalsContact O-CB 3.3Å; G57-H89 WeakPolarHBondContact O-CB 3.2Å; G57-H89 PolarHBondContact O-N 2.76Å; F60-H89 AromaticContact CE2-NE2 3.64Å; H89-V91 VanDerWaalsContact C-N 3.28Å; H89-V91 PolarHBondContact O-N 2.74Å; H89-Q92 HydrophobicContact CB-CB 4.22Å; H89-Q92 PolarHBondContact O-N 3.42Å; H89-Q92 VanDerWaalsContact O-N 3.13Å; H89-T93 PolarHBondContact O-N 2.85Å; H89-T93 PolarHBondContact O-OG1 3.18Å
90S98.6Very high98.2Very high0 Ų014.9 Ų14.90%06%0.063CC..Hα-helixtrans-53.1-43.7177-48.90000112.4D85 T93 I94 F126 E129D85-S90 PolarHBondContact N-OG 3.14Å; D85-S90 VanDerWaalsContact N-OG 3.1Å; S90-T93 PolarHBondContact O-N 2.9Å; S90-I94 WeakPolarHBondContact O-CG2 3.48Å; S90-I94 PolarHBondContact O-N 3.38Å; S90-F126 VanDerWaalsContact CB-CD2 3.47Å; S90-E129 WeakPolarHBondContact CA-OE2 3.34Å; S90-E129 WeakPolarHBondContact CB-OE2 3.24Å; S90-E129 VanDerWaalsContact N-CD 3.27Å; S90-E129 PolarHBondContact N-OE1 3.01Å; S90-E129 PolarHBondContact N-OE2 3.1Å; S90-E129 PolarHBondContact OG-OE2 3.41Å
91V98.4Very high98.2Very high0 Ų014.9 Ų14.90%06%0.063CC..Hα-helixtrans-61-47.2177.7174.60000110.4L19 H89 T95 F126 E129 K133 F134 L139L19-V91 HydrophobicContact CD2-CB 4.24Å; L19-V91 HydrophobicContact CD2-CG1 3.65Å; H89-V91 VanDerWaalsContact C-N 3.28Å; H89-V91 PolarHBondContact O-N 2.74Å; V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 PolarHBondContact O-N 2.94Å; V91-T95 PolarHBondContact O-OG1 2.83Å; V91-F126 HydrophobicContact CG2-CE2 4.02Å; V91-E129 WeakPolarHBondContact CB-OE1 3.28Å; V91-E129 HydrophobicContact CG2-CG 4.24Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.4Å; V91-E129 PolarHBondContact N-OE1 2.81Å; V91-K133 HydrophobicContact CB-CD 4.33Å; V91-K133 HydrophobicContact CG2-CD 4.17Å; V91-F134 HydrophobicContact CG1-CE2 3.9Å; V91-F134 HydrophobicContact CG1-CZ 4.1Å; V91-F134 HydrophobicContact CG2-CE2 4.21Å; V91-L139 HydrophobicContact CG1-CD2 3.98Å; V91-L139 HydrophobicContact CG2-CD2 4.1Å
92Q98.3Very high98.2Very high22 Ų2215.9 Ų15.910%0.1037%0.069CC..Hα-helixtrans-64.4-44.6177.6-70.188.9-25.400111.5G17 L19 Y59 H89 T95 R96G17-Q92 WeakPolarHBondContact O-CG 3.27Å; L19-Q92 HydrophobicContact CD2-CG 4.1Å; Y59-Q92 HydrophobicContact CD2-CB 3.59Å; Y59-Q92 HydrophobicContact CE2-CB 4.32Å; Y59-Q92 HydrophobicContact CG-CB 3.73Å; H89-Q92 HydrophobicContact CB-CB 4.22Å; H89-Q92 PolarHBondContact O-N 3.42Å; H89-Q92 VanDerWaalsContact O-N 3.13Å; Q92-T95 PolarHBondContact O-N 2.79Å; Q92-R96 VanDerWaalsContact O-CB 3.28Å; Q92-R96 WeakPolarHBondContact O-CB 3.47Å; Q92-R96 PolarHBondContact O-N 2.93Å
93T98.8Very high98.2Very high0 Ų020.7 Ų20.70%09%0.087CC..Hα-helixtrans-58.4-54.3178.9-65.10000111.5I55 G57 Y59 L62 Y83 H89 S90 T95 R96 L97I55-T93 HydrophobicContact CB-CG2 4.22Å; I55-T93 HydrophobicContact CG2-CG2 3.52Å; G57-T93 WeakPolarHBondContact CA-OG1 3.49Å; Y59-T93 WeakPolarHBondContact CA-OG1 3.14Å; Y59-T93 PolarHBondContact N-OG1 2.93Å; L62-T93 HydrophobicContact CD2-CG2 4.16Å; Y83-T93 VanDerWaalsContact O-CG2 3.24Å; Y83-T93 WeakPolarHBondContact O-CG2 3.3Å; H89-T93 PolarHBondContact O-N 2.85Å; H89-T93 PolarHBondContact O-OG1 3.18Å; S90-T93 PolarHBondContact O-N 2.9Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.29Å; T93-R96 WeakPolarHBondContact O-CB 3.39Å; T93-R96 PolarHBondContact O-N 2.71Å; T93-L97 HydrophobicContact CG2-CD1 4.21Å; T93-L97 WeakPolarHBondContact O-CG 3.4Å; T93-L97 PolarHBondContact O-N 3.28Å
94I98.7Very high98.2Very high4 Ų423.7 Ų23.72%0.02110%0.099CC..Hα-helixtrans-66.3-37.9-178.7-164.559.5000111Y83 V84 S90 R96 L97 L98 F126 F147 M150Y83-I94 HydrophobicContact CD2-CD1 3.82Å; Y83-I94 HydrophobicContact CG-CD1 4.33Å; V84-I94 HydrophobicContact CG1-CB 4.16Å; S90-I94 WeakPolarHBondContact O-CG2 3.48Å; S90-I94 PolarHBondContact O-N 3.38Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 2.81Å; I94-L97 PolarHBondContact O-N 3.29Å; I94-L98 HydrophobicContact CD1-CD1 4.42Å; I94-L98 HydrophobicContact CD1-CD2 4.45Å; I94-L98 HydrophobicContact CD1-CG 4.14Å; I94-L98 HydrophobicContact CG1-CD1 3.88Å; I94-L98 HydrophobicContact CG1-CG 4.04Å; I94-L98 WeakPolarHBondContact O-CB 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.01Å; I94-F126 HydrophobicContact CG2-CZ 4.41Å; I94-F147 HydrophobicContact CD1-CE1 4.19Å; I94-F147 HydrophobicContact CG1-CE1 4.4Å; I94-M150 HydrophobicContact CD1-CE 4.38Å
95T98.7Very high98.2Very high5 Ų525.6 Ų25.63%0.03111%0.111CC..Hα-helixtrans-61.2-43175.7-60.30000111.6A14 L20 L25 V91 Q92 T93 T99A14-T95 HydrophobicContact CB-CG2 4.03Å; L20-T95 HydrophobicContact CD1-CG2 3.48Å; L20-T95 VanDerWaalsContact CD1-CG2 3.48Å; L20-T95 HydrophobicContact CG-CG2 3.77Å; L25-T95 HydrophobicContact CD2-CG2 3.79Å; L25-T95 VanDerWaalsContact CD2-OG1 3.25Å; L25-T95 WeakPolarHBondContact CD2-OG1 3.27Å; V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 PolarHBondContact O-N 2.94Å; V91-T95 PolarHBondContact O-OG1 2.83Å; Q92-T95 PolarHBondContact O-N 2.79Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.29Å; T95-T99 HydrophobicContact CG2-CG2 4.3Å; T95-T99 WeakPolarHBondContact O-CB 3.38Å; T95-T99 VanDerWaalsContact O-CG2 3.3Å; T95-T99 WeakPolarHBondContact O-CG2 3.44Å; T95-T99 PolarHBondContact O-N 3.13Å; T95-T99 PolarHBondContact O-OG1 2.99Å
96R98.7Very high98.2Very high14 Ų1431.4 Ų31.45%0.05314%0.139CC..Hα-helixtrans-61.4-47.6177.5-17956.6170142.80.1111.9Y59 L62 E63 F66 Q92 T93 I94 T99 L100Y59-R96 HydrophobicContact CD2-CB 4.3Å; Y59-R96 HydrophobicContact CE2-CB 3.96Å; Y59-R96 HydrophobicContact CE2-CG 4.08Å; L62-R96 HydrophobicContact CD2-CB 4.25Å; L62-R96 HydrophobicContact CD2-CG 3.97Å; E63-R96 WeakPolarHBondContact OE1-CD 3.38Å; E63-R96 WeakPolarHBondContact OE1-CG 3.29Å; E63-R96 IonicContact OE1-CZ 3.63Å; E63-R96 IonicContact OE1-NE 3.45Å; E63-R96 PolarHBondContact OE1-NE 3.04Å; E63-R96 IonicContact OE1-NH2 3.08Å; E63-R96 IonicContact OE2-NE 3.33Å; E63-R96 IonicContact OE2-NH2 2.94Å; E63-R96 PolarHBondContact OE2-NH2 3.33Å; F66-R96 HydrophobicContact CE2-CG 4.34Å; Q92-R96 VanDerWaalsContact O-CB 3.28Å; Q92-R96 WeakPolarHBondContact O-CB 3.47Å; Q92-R96 PolarHBondContact O-N 2.93Å; T93-R96 WeakPolarHBondContact O-CB 3.39Å; T93-R96 PolarHBondContact O-N 2.71Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 2.81Å; R96-T99 PolarHBondContact O-OG1 2.82Å; R96-T99 VanDerWaalsContact O-OG1 3.05Å; R96-L100 WeakPolarHBondContact O-CG 3.07Å; R96-L100 PolarHBondContact O-N 2.88Å
97L98.9Very high98.2Very high0 Ų029.4 Ų29.40%013%0.133CC..Hα-helixtrans-67-43.1178.9-66.1173.6000111.9L62 F66 F79 Y83 T93 I94 L100 K101 I108 L110L62-L97 HydrophobicContact CD1-CD2 4.21Å; L62-L97 HydrophobicContact CD2-CD2 4.03Å; L62-L97 HydrophobicContact CD2-CG 4.06Å; F66-L97 HydrophobicContact CZ-CD2 4.24Å; F79-L97 HydrophobicContact CD1-CD2 4.4Å; F79-L97 HydrophobicContact CD2-CD2 4.2Å; F79-L97 HydrophobicContact CE1-CD2 4.08Å; F79-L97 HydrophobicContact CE2-CD2 3.86Å; F79-L97 HydrophobicContact CG-CD2 4.46Å; F79-L97 HydrophobicContact CZ-CD2 3.81Å; Y83-L97 HydrophobicContact CD1-CD1 3.66Å; Y83-L97 HydrophobicContact CD2-CD1 4.43Å; Y83-L97 HydrophobicContact CE1-CD1 4.22Å; Y83-L97 HydrophobicContact CG-CD1 3.78Å; T93-L97 HydrophobicContact CG2-CD1 4.21Å; T93-L97 WeakPolarHBondContact O-CG 3.4Å; T93-L97 PolarHBondContact O-N 3.28Å; I94-L97 PolarHBondContact O-N 3.29Å; L97-L100 PolarHBondContact O-N 3.15Å; L97-K101 WeakPolarHBondContact O-CB 3.28Å; L97-K101 PolarHBondContact O-N 2.6Å; L97-I108 HydrophobicContact CD2-CD1 4.03Å; L97-L110 HydrophobicContact CB-CD1 3.94Å; L97-L110 HydrophobicContact CB-CD2 4.16Å; L97-L110 HydrophobicContact CD1-CD2 4.38Å; L97-L110 HydrophobicContact CD2-CD2 4.21Å; L97-L110 HydrophobicContact CG-CD2 4.48Å
98L98.9Very high98.4Very high4 Ų429 Ų292%0.02113%0.129CC..Hα-helixtrans-69.4-40.3-178.9-68-178.6000113V28 I29 A32 F36 I94 L100 K101 V102 L110 L146 M150V28-L98 HydrophobicContact CG1-CB 3.79Å; I29-L98 HydrophobicContact CG1-CD1 4.21Å; A32-L98 HydrophobicContact CB-CD2 3.9Å; F36-L98 HydrophobicContact CE2-CD2 4.05Å; F36-L98 HydrophobicContact CZ-CD2 4.34Å; I94-L98 HydrophobicContact CD1-CD1 4.42Å; I94-L98 HydrophobicContact CD1-CD2 4.45Å; I94-L98 HydrophobicContact CD1-CG 4.14Å; I94-L98 HydrophobicContact CG1-CD1 3.88Å; I94-L98 HydrophobicContact CG1-CG 4.04Å; I94-L98 WeakPolarHBondContact O-CB 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.01Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.13Å; L98-K101 PolarHBondContact O-N 3.45Å; L98-V102 VanDerWaalsContact O-CG2 3.31Å; L98-V102 WeakPolarHBondContact O-CG2 3.43Å; L98-V102 PolarHBondContact O-N 3.26Å; L98-L110 HydrophobicContact CD2-CD1 4.23Å; L98-L146 HydrophobicContact CD1-CD2 3.47Å; L98-L146 VanDerWaalsContact CD1-CD2 3.47Å; L98-L146 HydrophobicContact CD2-CD2 3.71Å; L98-L146 HydrophobicContact CG-CD2 4.25Å; L98-M150 HydrophobicContact CD2-CE 4.44Å
99T98.9Very high98.6Very high0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-62.3-41.9175.850.10000111.3C10 L11 A14 L20 V28 T95 R96 R103C10-T99 HydrophobicContact CB-CG2 4.04Å; L11-T99 WeakPolarHBondContact CD2-O 3.34Å; A14-T99 HydrophobicContact CB-CG2 4.22Å; L20-T99 HydrophobicContact CD1-CG2 4.26Å; V28-T99 HydrophobicContact CG1-CG2 4.03Å; V28-T99 HydrophobicContact CG2-CG2 3.97Å; T95-T99 HydrophobicContact CG2-CG2 4.3Å; T95-T99 WeakPolarHBondContact O-CB 3.38Å; T95-T99 VanDerWaalsContact O-CG2 3.3Å; T95-T99 WeakPolarHBondContact O-CG2 3.44Å; T95-T99 PolarHBondContact O-N 3.13Å; T95-T99 PolarHBondContact O-OG1 2.99Å; R96-T99 PolarHBondContact O-OG1 2.82Å; R96-T99 VanDerWaalsContact O-OG1 3.05Å; T99-R103 WeakPolarHBondContact O-CB 3.29Å; T99-R103 PolarHBondContact O-N 3.26Å; T99-R103 VanDerWaalsContact O-N 3.1Å
100L98.9Very high98.7Very high5 Ų522.1 Ų22.13%0.02610%0.102CC..Hα-helixtrans-62.3-43.7171.7-71.1174.8000111.7L11 F66 V72 R96 L97 L98 V102 R103 Y104 I108L11-L100 HydrophobicContact CD2-CD2 4.02Å; F66-L100 HydrophobicContact CE2-CD1 3.9Å; F66-L100 HydrophobicContact CZ-CD1 3.72Å; V72-L100 HydrophobicContact CB-CD2 4.04Å; V72-L100 HydrophobicContact CG1-CD2 4.21Å; V72-L100 HydrophobicContact CG2-CD1 4.36Å; R96-L100 WeakPolarHBondContact O-CG 3.07Å; R96-L100 PolarHBondContact O-N 2.88Å; L97-L100 PolarHBondContact O-N 3.15Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.13Å; L100-V102 PolarHBondContact O-N 2.87Å; L100-R103 PolarHBondContact O-N 2.61Å; L100-Y104 HydrophobicContact CD2-CD2 4.17Å; L100-Y104 HydrophobicContact CD2-CE2 4.26Å; L100-Y104 PolarHBondContact O-N 3.04Å; L100-I108 HydrophobicContact CB-CD1 3.79Å; L100-I108 HydrophobicContact CB-CG2 4.14Å; L100-I108 HydrophobicContact CD1-CD1 3.96Å
101K98.8Very high98.7Very high0 Ų022.1 Ų22.10%010%0.102CC..Hα-helixtrans-59.6-46.3178.7-179.259.7177.4168.80112.7V35 F36 E39 L97 L98 R103 P105 I108 L110V35-K101 HydrophobicContact CG1-CD 4.26Å; V35-K101 HydrophobicContact CG1-CG 4.35Å; F36-K101 HydrophobicContact CE1-CD 4.37Å; F36-K101 HydrophobicContact CE1-CG 4.22Å; F36-K101 HydrophobicContact CZ-CG 4.08Å; E39-K101 WeakPolarHBondContact OE1-CE 3.41Å; E39-K101 IonicContact OE1-NZ 2.9Å; E39-K101 PolarHBondContact OE1-NZ 3.29Å; E39-K101 IonicContact OE2-NZ 2.72Å; L97-K101 WeakPolarHBondContact O-CB 3.28Å; L97-K101 PolarHBondContact O-N 2.6Å; L98-K101 PolarHBondContact O-N 3.45Å; K101-R103 VanDerWaalsContact C-N 3.35Å; K101-P105 PolarHBondContact NZ-O 2.93Å; K101-P105 WeakPolarHBondContact O-CA 3.38Å; K101-I108 HydrophobicContact CB-CG2 3.88Å; K101-I108 HydrophobicContact CD-CG2 3.98Å; K101-I108 WeakPolarHBondContact CD-O 3.44Å; K101-I108 WeakPolarHBondContact CE-O 3.42Å; K101-I108 VanDerWaalsContact N-CG2 3.32Å; K101-I108 PolarHBondContact NZ-O 3.13Å; K101-L110 HydrophobicContact CB-CD1 4.01Å; K101-L110 HydrophobicContact CG-CD1 4.33Å
102V98.8Very high98.7Very high20 Ų2022.1 Ų22.112%0.12110%0.102CC..Hα-helixtrans-66.1-39.4179.1172.60000111.2L7 V28 L31 A32 L98 L100L7-V102 HydrophobicContact CD1-CB 4.43Å; L7-V102 HydrophobicContact CD1-CG1 4.06Å; L7-V102 HydrophobicContact CD2-CG1 3.75Å; V28-V102 HydrophobicContact CG1-CG2 4.45Å; L31-V102 HydrophobicContact CB-CB 4.38Å; L31-V102 HydrophobicContact CB-CG1 3.59Å; L31-V102 HydrophobicContact CB-CG2 3.77Å; L31-V102 HydrophobicContact CD1-CG1 3.85Å; L31-V102 HydrophobicContact CG-CG1 4.31Å; A32-V102 HydrophobicContact CB-CG2 3.8Å; L98-V102 VanDerWaalsContact O-CG2 3.31Å; L98-V102 WeakPolarHBondContact O-CG2 3.43Å; L98-V102 PolarHBondContact O-N 3.26Å; L100-V102 PolarHBondContact O-N 2.87Å
103R98.7Very high98.7Very high105 Ų10521.1 Ų21.140%0.39610%0.097SC..Hα-helixtrans-77.6-36.9-176.9-173.865.7179.190-4.2113.7L7 D8 L11 T99 L100 K101 P105L7-R103 HydrophobicContact CD2-CB 4.22Å; D8-R103 IonicContact OD1-NE 3.2Å; L11-R103 HydrophobicContact CD1-CB 3.75Å; L11-R103 HydrophobicContact CD1-CG 3.55Å; L11-R103 HydrophobicContact CD2-CB 4.18Å; L11-R103 HydrophobicContact CG-CB 4.47Å; T99-R103 WeakPolarHBondContact O-CB 3.29Å; T99-R103 PolarHBondContact O-N 3.26Å; T99-R103 VanDerWaalsContact O-N 3.1Å; L100-R103 PolarHBondContact O-N 2.61Å; K101-R103 VanDerWaalsContact C-N 3.35Å; R103-P105 VanDerWaalsContact C-CD 3.5Å
104Y98.7Very high98.7Very high62 Ų6221.2 Ų21.224%0.24310%0.097CC..  trans-132.762.7-172.2-50.6-69.8000110.4V72 P73 L100 E106 Q107 I108V72-Y104 HydrophobicContact CG1-CD2 3.5Å; V72-Y104 VanDerWaalsContact CG1-CD2 3.5Å; V72-Y104 HydrophobicContact CG1-CE2 4.22Å; V72-Y104 HydrophobicContact CG1-CG 3.85Å; P73-Y104 HydrophobicContact CB-CD1 3.7Å; P73-Y104 HydrophobicContact CB-CE1 3.87Å; P73-Y104 HydrophobicContact CB-CG 4.09Å; P73-Y104 HydrophobicContact CG-CD1 4.13Å; P73-Y104 HydrophobicContact CG-CE1 3.75Å; L100-Y104 HydrophobicContact CD2-CD2 4.17Å; L100-Y104 HydrophobicContact CD2-CE2 4.26Å; L100-Y104 PolarHBondContact O-N 3.04Å; Y104-E106 PolarHBondContact O-N 2.8Å; Y104-Q107 PolarHBondContact O-N 2.73Å; Y104-I108 PolarHBondContact O-N 2.89Å
105P98.5Very high98.7Very high40 Ų4021.3 Ų21.326%0.2610%0.098SC..THydrogen-bonded Turntrans-58.9-27.2-172.223.6-35.1000113.8V35 K101 R103V35-P105 HydrophobicContact CG1-CB 3.68Å; V35-P105 HydrophobicContact CG2-CB 4.42Å; K101-P105 PolarHBondContact NZ-O 2.93Å; K101-P105 WeakPolarHBondContact O-CA 3.38Å; R103-P105 VanDerWaalsContact C-CD 3.5Å
106E98Very high98.7Very high123 Ų12321.1 Ų21.158%0.57510%0.096SC*.THydrogen-bonded Turntrans-902178.8-59.4-57.2133.500114.4R76 Y104R76-E106 PolarHBondContact NE-O 2.89Å; R76-E106 VanDerWaalsContact NE-O 3.09Å; R76-E106 PolarHBondContact NH2-O 3.38Å; Y104-E106 PolarHBondContact O-N 2.8Å
107Q98.5Very high98.7Very high51 Ų5120.6 Ų20.624%0.23810%0.095CC..THydrogen-bonded Turntrans-121.8-13.3-178.9-55.6-590.600114.1V72 P73 R76 Y77 Y104V72-Q107 HydrophobicContact CG1-CB 4.05Å; P73-Q107 HydrophobicContact CB-CG 4.08Å; R76-Q107 CarbonylContact C-O 3.42Å; R76-Q107 VanDerWaalsContact CA-O 3.27Å; R76-Q107 WeakPolarHBondContact CA-O 3.1Å; Y77-Q107 PolarHBondContact N-O 3.44Å; Y104-Q107 PolarHBondContact O-N 2.73Å
108I98.5Very high98.6Very high0 Ų023.8 Ų23.80%011%0.107CC..EExtended strand (participates in β ladder)trans-135.5123.9174.5-165.9166.9000109.3Y77 F79 L97 L100 K101 Y104 L110Y77-I108 WeakPolarHBondContact O-CA 3.39Å; F79-I108 HydrophobicContact CD2-CD1 4.41Å; F79-I108 HydrophobicContact CD2-CG1 4.19Å; F79-I108 HydrophobicContact CE2-CD1 3.97Å; F79-I108 HydrophobicContact CE2-CG1 4.12Å; L97-I108 HydrophobicContact CD2-CD1 4.03Å; L100-I108 HydrophobicContact CB-CD1 3.79Å; L100-I108 HydrophobicContact CB-CG2 4.14Å; L100-I108 HydrophobicContact CD1-CD1 3.96Å; K101-I108 HydrophobicContact CB-CG2 3.88Å; K101-I108 HydrophobicContact CD-CG2 3.98Å; K101-I108 WeakPolarHBondContact CD-O 3.44Å; K101-I108 WeakPolarHBondContact CE-O 3.42Å; K101-I108 VanDerWaalsContact N-CG2 3.32Å; K101-I108 PolarHBondContact NZ-O 3.13Å; Y104-I108 PolarHBondContact O-N 2.89Å; I108-L110 HydrophobicContact CD1-CD2 4.41Å; I108-L110 HydrophobicContact CG1-CD2 4.07Å
109F98.9Very high98.5Very high9 Ų928.4 Ų28.44%0.03914%0.136CC..EExtended strand (participates in β ladder)trans-117131.1-179.9-60.3-83.9000107.9V43 L45 R76 Y77 V78 F79V43-F109 HydrophobicContact CG1-CD1 4Å; V43-F109 HydrophobicContact CG1-CE1 4.11Å; L45-F109 HydrophobicContact CD1-CB 4.24Å; L45-F109 HydrophobicContact CD1-CD2 3.87Å; L45-F109 HydrophobicContact CD1-CE2 4.41Å; L45-F109 HydrophobicContact CD1-CG 3.95Å; L45-F109 HydrophobicContact CD2-CD1 3.72Å; L45-F109 HydrophobicContact CD2-CD2 3.67Å; L45-F109 HydrophobicContact CD2-CE1 3.48Å; L45-F109 VanDerWaalsContact CD2-CE1 3.48Å; L45-F109 HydrophobicContact CD2-CE2 3.45Å; L45-F109 VanDerWaalsContact CD2-CE2 3.45Å; L45-F109 HydrophobicContact CD2-CG 3.8Å; L45-F109 HydrophobicContact CD2-CZ 3.34Å; L45-F109 HydrophobicContact CG-CD2 4.45Å; R76-F109 HydrophobicContact CG-CD2 4.49Å; R76-F109 HydrophobicContact CG-CE2 4.14Å; Y77-F109 WeakPolarHBondContact O-CD2 3.43Å; Y77-F109 PolarHBondContact O-N 3.06Å; V78-F109 CarbonylContact C-O 3.52Å; V78-F109 WeakPolarHBondContact CA-O 3.32Å; V78-F109 HydrophobicContact CB-CB 4.18Å; V78-F109 HydrophobicContact CG2-CB 4.05Å; F79-F109 PolarHBondContact N-O 2.96Å
110L98.9Very high98.4Very high1 Ų129 Ų291%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-122.1105.3-173.6-58.8179.1000107.9F36 F79 Y83 L97 L98 K101 I108F36-L110 HydrophobicContact CE1-CB 4.1Å; F36-L110 HydrophobicContact CZ-CB 4.04Å; F36-L110 HydrophobicContact CZ-CD1 4.08Å; F79-L110 HydrophobicContact CB-CD2 3.92Å; F79-L110 HydrophobicContact CD2-CD2 3.83Å; F79-L110 HydrophobicContact CG-CD2 4.09Å; Y83-L110 HydrophobicContact CE2-CB 4.14Å; Y83-L110 VanDerWaalsContact OH-C 3.28Å; Y83-L110 WeakPolarHBondContact OH-CA 3.45Å; Y83-L110 WeakPolarHBondContact OH-CB 3.43Å; L97-L110 HydrophobicContact CB-CD1 3.94Å; L97-L110 HydrophobicContact CB-CD2 4.16Å; L97-L110 HydrophobicContact CD1-CD2 4.38Å; L97-L110 HydrophobicContact CD2-CD2 4.21Å; L97-L110 HydrophobicContact CG-CD2 4.48Å; L98-L110 HydrophobicContact CD2-CD1 4.23Å; K101-L110 HydrophobicContact CB-CD1 4.01Å; K101-L110 HydrophobicContact CG-CD1 4.33Å; I108-L110 HydrophobicContact CD1-CD2 4.41Å; I108-L110 HydrophobicContact CG1-CD2 4.07Å
111L98.9Very high98.4Very high0 Ų028.7 Ų28.70%014%0.138CC..  trans-83.6156.1175-54.3-175.4000110.9V78 F79 L80 G81 Y83 P151 A153 A154 C162V78-L111 HydrophobicContact CG2-CD1 4.04Å; V78-L111 HydrophobicContact CG2-CG 3.98Å; F79-L111 WeakPolarHBondContact O-CB 3.12Å; F79-L111 PolarHBondContact O-N 2.67Å; L80-L111 HydrophobicContact CD2-CD1 3.83Å; G81-L111 WeakPolarHBondContact CA-O 3.26Å; Y83-L111 PolarHBondContact OH-N 3.39Å; Y83-L111 PolarHBondContact OH-O 3.39Å; L111-P151 CarbonylContact C-O 3.57Å; L111-P151 WeakPolarHBondContact CA-O 3.39Å; L111-P151 HydrophobicContact CD2-CB 3.97Å; L111-A153 WeakPolarHBondContact CD2-O 3.47Å; L111-A154 HydrophobicContact CD1-CB 4.25Å; L111-A154 HydrophobicContact CD2-CB 4.18Å; L111-C162 HydrophobicContact CD1-CB 4.14Å
112R98.8Very high98.3Very high0 Ų031 Ų310%015%0.153CC..  trans-84.8122.4-177.9-161.3175.7179.2-179.1-2.2111.4E116 F147 H148 M150 P151 R182 C184 V196R112-E116 HydrophobicContact CG-CB 3.72Å; R112-E116 PolarHBondContact NE-O 3.33Å; R112-E116 PolarHBondContact NH2-O 3.26Å; R112-E116 VanDerWaalsContact NH2-O 3.15Å; R112-F147 VanDerWaalsContact CD-O 3.26Å; R112-F147 WeakPolarHBondContact CD-O 3.19Å; R112-F147 VanDerWaalsContact CZ-O 3.27Å; R112-F147 PolarHBondContact NE-O 2.97Å; R112-F147 VanDerWaalsContact NE-O 3.13Å; R112-F147 PolarHBondContact NH1-O 2.91Å; R112-H148 PolarHBondContact NH2-CD2 2.67Å; R112-H148 VanDerWaalsContact NH2-CD2 3.33Å; R112-M150 HydrophobicContact CB-CB 3.9Å; R112-M150 HydrophobicContact CG-CB 4.26Å; R112-P151 WeakPolarHBondContact CB-O 3.41Å; R112-P151 PolarHBondContact N-O 3.1Å; R112-R182 PolarHBondContact NH1-O 3.24Å; R112-C184 PolarHBondContact NH1-O 3.28Å; R112-C184 PolarHBondContact NH2-O 2.91Å; R112-V196 WeakPolarHBondContact O-CG1 3.48Å
113G98.8Very high98.2Very high0 Ų034 Ų340%018%0.176CC..  trans-91-179.7167.900000112.9D82 H115 E116 H164 I186D82-G113 WeakPolarHBondContact OD1-CA 3.49Å; G113-H115 VanDerWaalsContact C-N 3.29Å; G113-E116 WeakPolarHBondContact CA-OE2 3.37Å; G113-E116 PolarHBondContact N-OE2 3.49Å; G113-E116 PolarHBondContact O-N 2.89Å; G113-H164 WeakPolarHBondContact CA-CD2 3.36Å; G113-H164 VanDerWaalsContact CA-CG 3.49Å; G113-I186 WeakPolarHBondContact O-CD1 3.42Å
114N98.5Very high98.1Very high3 Ų334.1 Ų34.12%0.01618%0.177CC..SBendtrans-76.9-17.9177.462.7-57.8000112.7D82 C117 V120 H164 V196 W197 H238D82-N114 PolarHBondContact OD1-N 3.27Å; D82-N114 PolarHBondContact OD1-OD1 3.02Å; D82-N114 VanDerWaalsContact OD1-OD1 3.11Å; D82-N114 PolarHBondContact OD2-OD1 3.06Å; N114-C117 PolarHBondContact O-SG 3.23Å; N114-V120 WeakPolarHBondContact O-CB 3.46Å; N114-V120 VanDerWaalsContact O-CG2 3.29Å; N114-V120 WeakPolarHBondContact O-CG2 3.44Å; N114-H164 PolarHBondContact N-CD2 3.31Å; N114-H164 PolarHBondContact OD1-CD2 3.47Å; N114-H164 VanDerWaalsContact OD1-CD2 3.29Å; N114-H164 PolarHBondContact OD1-NE2 2.91Å; N114-V196 HydrophobicContact CB-CB 4.29Å; N114-V196 HydrophobicContact CB-CG2 4.31Å; N114-V196 WeakPolarHBondContact CB-O 3.27Å; N114-W197 HydrophobicContact CB-CD2 3.89Å; N114-W197 HydrophobicContact CB-CE3 4.35Å; N114-W197 HydrophobicContact CB-CG 4.42Å; N114-W197 HydrophobicContact CB-CH2 4.23Å; N114-W197 HydrophobicContact CB-CZ2 3.7Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.38Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.36Å; N114-W197 WeakPolarHBondContact ND2-CZ3 3.43Å; N114-H238 VanDerWaalsContact CG-CE1 3.48Å; N114-H238 PolarHBondContact OD1-CE1 3.42Å; N114-H238 PolarHBondContact OD1-ND1 3.4Å
115H98.7Very high98Very high6 Ų632.3 Ų32.33%0.02818%0.177CC..SBendtrans-80-15.7171.7-77.5-99.6000113.4H56 D82 V84 D85 G113 C117 V120 Y124H56-H115 AromaticContact CE1-CD2 3.56Å; H56-H115 AromaticContact CE1-CE1 3.9Å; H56-H115 AromaticContact CE1-CG 3.8Å; H56-H115 AromaticContact CE1-ND1 4Å; H56-H115 AromaticContact CE1-NE2 3.64Å; D82-H115 HydrophobicContact CB-CB 4.36Å; D82-H115 VanDerWaalsContact CG-CD2 3.47Å; D82-H115 WeakPolarHBondContact OD1-CB 3.38Å; D82-H115 IonicContact OD1-CD2 2.67Å; D82-H115 IonicContact OD1-CG 2.74Å; D82-H115 PolarHBondContact OD1-N 2.73Å; D82-H115 IonicContact OD2-CD2 2.62Å; D82-H115 PolarHBondContact OD2-CD2 2.82Å; V84-H115 HydrophobicContact CG2-CB 4.3Å; D85-H115 VanDerWaalsContact CB-ND1 3.31Å; D85-H115 WeakPolarHBondContact CB-ND1 3.16Å; D85-H115 IonicContact OD2-CE1 3.49Å; D85-H115 IonicContact OD2-CG 3.83Å; D85-H115 IonicContact OD2-ND1 3.3Å; D85-H115 PolarHBondContact OD2-ND1 3.08Å; G113-H115 VanDerWaalsContact C-N 3.29Å; H115-C117 PolarHBondContact O-N 3.3Å; H115-V120 HydrophobicContact CB-CG1 4.22Å; H115-V120 WeakPolarHBondContact CE1-CG1 3.39Å; H115-V120 WeakPolarHBondContact ND1-CG1 3.17Å; H115-Y124 AromaticContact CE1-CD2 3.89Å; H115-Y124 AromaticContact CE1-CG 3.91Å
116E98.5Very high98Very high0 Ų030.4 Ų30.40%016%0.164CC..SBendtrans-80.753.7172.1-75.869.7-128.600112D82 Y83 R112 G113 F147 M150D82-E116 WeakPolarHBondContact CA-OE2 3.2Å; D82-E116 PolarHBondContact N-OE2 3.23Å; Y83-E116 HydrophobicContact CD2-CG 4.04Å; Y83-E116 HydrophobicContact CE2-CG 4.36Å; Y83-E116 PolarHBondContact N-OE1 3.18Å; R112-E116 HydrophobicContact CG-CB 3.72Å; R112-E116 PolarHBondContact NE-O 3.33Å; R112-E116 PolarHBondContact NH2-O 3.26Å; R112-E116 VanDerWaalsContact NH2-O 3.15Å; G113-E116 WeakPolarHBondContact CA-OE2 3.37Å; G113-E116 PolarHBondContact N-OE2 3.49Å; G113-E116 PolarHBondContact O-N 2.89Å; E116-F147 VanDerWaalsContact CA-CD2 3.45Å; E116-F147 HydrophobicContact CB-CB 3.95Å; E116-F147 HydrophobicContact CB-CD1 3.97Å; E116-F147 HydrophobicContact CB-CD2 3.87Å; E116-F147 HydrophobicContact CB-CE1 4.44Å; E116-F147 HydrophobicContact CB-CE2 4.34Å; E116-F147 HydrophobicContact CB-CG 3.67Å; E116-F147 HydrophobicContact CG-CD1 3.75Å; E116-F147 HydrophobicContact CG-CD2 4.24Å; E116-F147 HydrophobicContact CG-CE1 3.83Å; E116-F147 HydrophobicContact CG-CE2 4.31Å; E116-F147 HydrophobicContact CG-CG 3.97Å; E116-F147 HydrophobicContact CG-CZ 4.11Å; E116-F147 WeakPolarHBondContact O-CB 3.33Å; E116-M150 HydrophobicContact CB-SD 4.46Å; E116-M150 HydrophobicContact CG-SD 3.99Å
117C98.2Very high98Very high4 Ų427.9 Ų27.93%0.02715%0.15CC..SBendtrans-152.2159.5174.277.20000111.9N114 H115 V120 S121 E185 I186N114-C117 PolarHBondContact O-SG 3.23Å; H115-C117 PolarHBondContact O-N 3.3Å; C117-V120 VanDerWaalsContact SG-CG2 3.57Å; C117-V120 PolarHBondContact SG-N 2.85Å; C117-S121 VanDerWaalsContact O-CB 3.29Å; C117-S121 WeakPolarHBondContact O-CB 3.29Å; C117-S121 PolarHBondContact O-N 2.83Å; C117-S121 PolarHBondContact O-OG 2.85Å; C117-E185 VanDerWaalsContact CB-OE1 3.27Å; C117-E185 WeakPolarHBondContact CB-OE1 3.43Å; C117-I186 HydrophobicContact CB-CB 4.2Å; C117-I186 HydrophobicContact CB-CD1 3.63Å; C117-I186 HydrophobicContact CB-CG1 3.81Å
118R98Very high98Very high66 Ų6629.9 Ų29.925%0.24916%0.163CC..Hα-helixtrans-64.4-43.6-178.8-65.8-179.3176.5-75.90.5111.5V120 S122 W140 E141 C144 D145 E185R118-V120 PolarHBondContact O-N 3.12Å; R118-S122 VanDerWaalsContact O-CB 3.23Å; R118-S122 WeakPolarHBondContact O-CB 3.21Å; R118-S122 PolarHBondContact O-N 2.67Å; R118-S122 PolarHBondContact O-OG 2.77Å; R118-W140 HydrophobicContact CB-CH2 4.26Å; R118-W140 HydrophobicContact CB-CZ2 4.03Å; R118-W140 HydrophobicContact CG-CH2 4.33Å; R118-W140 HydrophobicContact CG-CZ2 4.25Å; R118-E141 PolarHBondContact NH2-O 3.5Å; R118-C144 HydrophobicContact CG-CB 3.5Å; R118-C144 VanDerWaalsContact CZ-CB 3.48Å; R118-D145 IonicContact CZ-OD1 2.82Å; R118-D145 VanDerWaalsContact NH2-CG 3.28Å; R118-D145 IonicContact NH2-OD1 3.83Å; R118-D145 PolarHBondContact NH2-OD1 2.85Å; R118-D145 IonicContact NH2-OD2 2.69Å; R118-E185 WeakPolarHBondContact CA-OE1 3.34Å; R118-E185 WeakPolarHBondContact CB-OE1 3.28Å; R118-E185 PolarHBondContact N-OE1 2.98Å
119T95.6Very high97.9Very high102 Ų10230.7 Ų30.763%0.62617%0.166SC*.Hα-helixtrans-59.1-48.3-174.2-55.80000111S122 E185T119-S122 PolarHBondContact O-OG 2.99Å; T119-E185 PolarHBondContact N-OE1 3.44Å
120V97.7Very high97.9Very high11 Ų1130.2 Ų30.27%0.06716%0.164CC..Hα-helixtrans-76.2-53.7-179.61780000110.6N114 H115 C117 R118 S122 S123 Y124 W197N114-V120 WeakPolarHBondContact O-CB 3.46Å; N114-V120 VanDerWaalsContact O-CG2 3.29Å; N114-V120 WeakPolarHBondContact O-CG2 3.44Å; H115-V120 HydrophobicContact CB-CG1 4.22Å; H115-V120 WeakPolarHBondContact CE1-CG1 3.39Å; H115-V120 WeakPolarHBondContact ND1-CG1 3.17Å; C117-V120 VanDerWaalsContact SG-CG2 3.57Å; C117-V120 PolarHBondContact SG-N 2.85Å; R118-V120 PolarHBondContact O-N 3.12Å; V120-S122 PolarHBondContact O-N 3.27Å; V120-S123 PolarHBondContact O-N 3.41Å; V120-Y124 HydrophobicContact CB-CD2 4.39Å; V120-Y124 HydrophobicContact CG1-CD2 3.45Å; V120-Y124 VanDerWaalsContact CG1-CD2 3.45Å; V120-Y124 HydrophobicContact CG1-CE2 3.77Å; V120-Y124 WeakPolarHBondContact O-CD2 3.47Å; V120-Y124 PolarHBondContact O-N 3.38Å; V120-W197 HydrophobicContact CG2-CH2 4.06Å; V120-W197 HydrophobicContact CG2-CZ2 3.68Å
121S97.8Very high97.8Very high0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-67-12.6-17365.80000115.6D85 C117 S123 Y127 W140D85-S121 VanDerWaalsContact OD2-CA 3.25Å; D85-S121 WeakPolarHBondContact OD2-CA 3.45Å; C117-S121 VanDerWaalsContact O-CB 3.29Å; C117-S121 WeakPolarHBondContact O-CB 3.29Å; C117-S121 PolarHBondContact O-N 2.83Å; C117-S121 PolarHBondContact O-OG 2.85Å; S121-S123 PolarHBondContact O-N 2.84Å; S121-Y127 WeakPolarHBondContact O-CB 3.21Å; S121-Y127 PolarHBondContact O-N 3.43Å; S121-Y127 VanDerWaalsContact O-N 3.15Å; S121-W140 PolarHBondContact OG-NE1 3.32Å
122S97.5Very high97.7Very high47 Ų4740.8 Ų40.833%0.32922%0.219SC..THydrogen-bonded Turntrans-66.1-24.3168.7690000113.8R118 T119 V120R118-S122 VanDerWaalsContact O-CB 3.23Å; R118-S122 WeakPolarHBondContact O-CB 3.21Å; R118-S122 PolarHBondContact O-N 2.67Å; R118-S122 PolarHBondContact O-OG 2.77Å; T119-S122 PolarHBondContact O-OG 2.99Å; V120-S122 PolarHBondContact O-N 3.27Å
123S96.2Very high97.5Very high85 Ų8543.6 Ų43.659%0.59423%0.232SC*.THydrogen-bonded Turntrans-121.2-12.3-163.4-61.60000114.5V120 S121V120-S123 PolarHBondContact O-N 3.41Å; S121-S123 PolarHBondContact O-N 2.84Å
124Y96.4Very high97.4Very high107 Ų10745.5 Ų45.542%0.4224%0.24SC..SBendtrans-114.814.2-173.1-64.7-78.3000114.6D85 R86 H115 V120D85-Y124 WeakPolarHBondContact CA-O 3.35Å; D85-Y124 WeakPolarHBondContact CB-O 3.42Å; D85-Y124 VanDerWaalsContact CG-CB 3.5Å; R86-Y124 PolarHBondContact N-O 2.76Å; H115-Y124 AromaticContact CE1-CD2 3.89Å; H115-Y124 AromaticContact CE1-CG 3.91Å; V120-Y124 HydrophobicContact CB-CD2 4.39Å; V120-Y124 HydrophobicContact CG1-CD2 3.45Å; V120-Y124 VanDerWaalsContact CG1-CD2 3.45Å; V120-Y124 HydrophobicContact CG1-CE2 3.77Å; V120-Y124 WeakPolarHBondContact O-CD2 3.47Å; V120-Y124 PolarHBondContact O-N 3.38Å
125G96Very high97.3Very high23 Ų2348.3 Ų48.324%0.23727%0.27CS..SBendtrans118.6-21.916400000115.3D85 D128 E129D85-G125 PolarHBondContact OD1-N 3.27Å; G125-D128 PolarHBondContact O-N 3.45Å; G125-E129 WeakPolarHBondContact O-CB 3.44Å; G125-E129 PolarHBondContact O-N 2.99Å
126F98.5Very high97.1Very high0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-67.1-41.4-177.1-178.3-144000112.8V84 D85 S90 V91 I94 E129 C130 W140 C143 F147V84-F126 HydrophobicContact CB-CB 3.98Å; V84-F126 HydrophobicContact CB-CD1 3.81Å; V84-F126 HydrophobicContact CB-CD2 4.27Å; V84-F126 HydrophobicContact CB-CE1 4.39Å; V84-F126 HydrophobicContact CB-CG 3.76Å; V84-F126 HydrophobicContact CG1-CD1 3.86Å; V84-F126 HydrophobicContact CG1-CD2 4.21Å; V84-F126 HydrophobicContact CG1-CE1 3.93Å; V84-F126 HydrophobicContact CG1-CE2 4.25Å; V84-F126 HydrophobicContact CG1-CG 4.03Å; V84-F126 HydrophobicContact CG1-CZ 4.13Å; V84-F126 HydrophobicContact CG2-CB 4.22Å; V84-F126 HydrophobicContact CG2-CD1 3.8Å; V84-F126 HydrophobicContact CG2-CE1 4.48Å; V84-F126 HydrophobicContact CG2-CG 4.14Å; D85-F126 WeakPolarHBondContact OD1-CB 3.23Å; D85-F126 PolarHBondContact OD1-N 3.36Å; S90-F126 VanDerWaalsContact CB-CD2 3.47Å; V91-F126 HydrophobicContact CG2-CE2 4.02Å; I94-F126 HydrophobicContact CG2-CZ 4.41Å; F126-E129 PolarHBondContact O-N 2.81Å; F126-C130 WeakPolarHBondContact CE2-SG 3.34Å; F126-C130 PolarHBondContact O-N 2.97Å; F126-C130 PolarHBondContact O-SG 3.11Å; F126-W140 AromaticContact CD1-CD1 3.64Å; F126-W140 AromaticContact CE1-CD1 3.97Å; F126-C143 HydrophobicContact CE1-CB 3.81Å; F126-C143 HydrophobicContact CZ-CB 3.88Å; F126-F147 HydrophobicContact CE1-CE2 4.21Å; F126-F147 HydrophobicContact CE1-CZ 4.01Å
127Y98.6Very high97Very high71 Ų7151.4 Ų51.428%0.27829%0.288SS..Hα-helixtrans-56.8-53.3173.5176.3-89.5000111.8S121 E129 C130 L131 P137 W140S121-Y127 WeakPolarHBondContact O-CB 3.21Å; S121-Y127 PolarHBondContact O-N 3.43Å; S121-Y127 VanDerWaalsContact O-N 3.15Å; Y127-E129 VanDerWaalsContact C-N 3.29Å; Y127-E129 PolarHBondContact O-N 3.05Å; Y127-C130 PolarHBondContact O-N 2.82Å; Y127-L131 HydrophobicContact CE1-CD2 4.47Å; Y127-L131 PolarHBondContact O-N 3.48Å; Y127-P137 HydrophobicContact CD2-CB 4.27Å; Y127-P137 HydrophobicContact CE2-CB 3.52Å; Y127-P137 HydrophobicContact CE2-CG 4.44Å; Y127-W140 AromaticContact CD2-CD2 3.56Å; Y127-W140 HydrophobicContact CD2-CD2 3.56Å; Y127-W140 AromaticContact CD2-CE2 3.93Å; Y127-W140 AromaticContact CD2-CE3 3.58Å; Y127-W140 HydrophobicContact CD2-CE3 3.58Å; Y127-W140 AromaticContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CH2 4.34Å; Y127-W140 HydrophobicContact CD2-CZ2 4.32Å; Y127-W140 AromaticContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CE2-CD2 4.35Å; Y127-W140 AromaticContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CZ3 4.12Å; Y127-W140 HydrophobicContact CG-CD2 4.49Å
128D98.2Very high96.8Very high93 Ų9354.3 Ų54.350%0.49730%0.303SS..Hα-helixtrans-63.1-37.8-179.4-66.1-39000111.7G125 C130 L131 L132G125-D128 PolarHBondContact O-N 3.45Å; D128-C130 PolarHBondContact O-N 3.29Å; D128-L131 PolarHBondContact O-N 2.92Å; D128-L132 VanDerWaalsContact O-CB 3.31Å; D128-L132 WeakPolarHBondContact O-CB 3.25Å; D128-L132 PolarHBondContact O-N 3.09Å
129E97.6Very high96.7Very high16 Ų1651.7 Ų51.78%0.07529%0.294CS..Hα-helixtrans-62.3-42.1176.2-171.3-172.3143.700111.7S90 V91 G125 F126 Y127 K133S90-E129 WeakPolarHBondContact CA-OE2 3.34Å; S90-E129 WeakPolarHBondContact CB-OE2 3.24Å; S90-E129 VanDerWaalsContact N-CD 3.27Å; S90-E129 PolarHBondContact N-OE1 3.01Å; S90-E129 PolarHBondContact N-OE2 3.1Å; S90-E129 PolarHBondContact OG-OE2 3.41Å; V91-E129 WeakPolarHBondContact CB-OE1 3.28Å; V91-E129 HydrophobicContact CG2-CG 4.24Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.4Å; V91-E129 PolarHBondContact N-OE1 2.81Å; G125-E129 WeakPolarHBondContact O-CB 3.44Å; G125-E129 PolarHBondContact O-N 2.99Å; F126-E129 PolarHBondContact O-N 2.81Å; Y127-E129 VanDerWaalsContact C-N 3.29Å; Y127-E129 PolarHBondContact O-N 3.05Å; E129-K133 VanDerWaalsContact CD-NZ 3.31Å; E129-K133 HydrophobicContact CG-CD 3.92Å; E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 WeakPolarHBondContact O-CG 3.47Å; E129-K133 PolarHBondContact O-N 3.17Å; E129-K133 IonicContact OE1-NZ 2.78Å; E129-K133 PolarHBondContact OE1-NZ 2.82Å
130C97.8Very high96.9Very high0 Ų048 Ų480%027%0.269CS..Hα-helixtrans-64.9-45.9175.2-69.70000111.5F126 Y127 D128 L132 K133 F134 W140F126-C130 WeakPolarHBondContact CE2-SG 3.34Å; F126-C130 PolarHBondContact O-N 2.97Å; F126-C130 PolarHBondContact O-SG 3.11Å; Y127-C130 PolarHBondContact O-N 2.82Å; D128-C130 PolarHBondContact O-N 3.29Å; C130-L132 VanDerWaalsContact C-N 3.32Å; C130-L132 PolarHBondContact O-N 3.05Å; C130-K133 PolarHBondContact O-N 3.25Å; C130-F134 WeakPolarHBondContact O-CB 3.23Å; C130-F134 PolarHBondContact O-N 2.88Å; C130-W140 HydrophobicContact CB-CB 3.95Å
131L97.3Very high96.9Very high71 Ų7151.1 Ų51.137%0.37228%0.282SS..Hα-helixtrans-59.8-43.5178-17663.8000111.4Y127 D128 G135Y127-L131 HydrophobicContact CE1-CD2 4.47Å; Y127-L131 PolarHBondContact O-N 3.48Å; D128-L131 PolarHBondContact O-N 2.92Å; L131-G135 WeakPolarHBondContact O-CA 3.29Å; L131-G135 PolarHBondContact O-N 2.62Å
132L96.9Very high96.9Very high151 Ų15152.4 Ų52.479%0.79129%0.292SS*.Hα-helixtrans-66.4-41.8179.1-178.364.5000112.5D128 C130D128-L132 VanDerWaalsContact O-CB 3.31Å; D128-L132 WeakPolarHBondContact O-CB 3.25Å; D128-L132 PolarHBondContact O-N 3.09Å; C130-L132 VanDerWaalsContact C-N 3.32Å; C130-L132 PolarHBondContact O-N 3.05Å
133K95.8Very high96.9Very high60 Ų6050.3 Ų50.326%0.26128%0.277SS..Hα-helixtrans-81.8-30.5-174.5-71.5176.5-179.9170.30113.7L19 R88 V91 E129 C130L19-K133 HydrophobicContact CD1-CB 4.27Å; L19-K133 HydrophobicContact CD1-CD 3.96Å; L19-K133 HydrophobicContact CD1-CG 4.19Å; L19-K133 HydrophobicContact CD2-CD 4.08Å; R88-K133 PolarHBondContact O-NZ 3.26Å; V91-K133 HydrophobicContact CB-CD 4.33Å; V91-K133 HydrophobicContact CG2-CD 4.17Å; E129-K133 VanDerWaalsContact CD-NZ 3.31Å; E129-K133 HydrophobicContact CG-CD 3.92Å; E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 WeakPolarHBondContact O-CG 3.47Å; E129-K133 PolarHBondContact O-N 3.17Å; E129-K133 IonicContact OE1-NZ 2.78Å; E129-K133 PolarHBondContact OE1-NZ 2.82Å; C130-K133 PolarHBondContact O-N 3.25Å
134F95.6Very high97.1Very high40 Ų4046.2 Ų46.218%0.17525%0.248CC..Hα-helixtrans-119.5-5.4-173.6-61.2-88000113.8L25 V91 C130 N136 L139L25-F134 HydrophobicContact CD1-CE1 3.73Å; L25-F134 HydrophobicContact CD1-CE2 4.46Å; L25-F134 HydrophobicContact CD1-CZ 3.5Å; L25-F134 VanDerWaalsContact CD1-CZ 3.5Å; V91-F134 HydrophobicContact CG1-CE2 3.9Å; V91-F134 HydrophobicContact CG1-CZ 4.1Å; V91-F134 HydrophobicContact CG2-CE2 4.21Å; C130-F134 WeakPolarHBondContact O-CB 3.23Å; C130-F134 PolarHBondContact O-N 2.88Å; F134-N136 PolarHBondContact O-N 2.64Å; F134-N136 PolarHBondContact O-ND2 3.2Å; F134-N136 VanDerWaalsContact O-ND2 3.09Å; F134-L139 HydrophobicContact CD2-CD2 3.72Å; F134-L139 HydrophobicContact CE1-CD2 4.47Å; F134-L139 HydrophobicContact CE2-CD2 3.27Å; F134-L139 HydrophobicContact CZ-CD2 3.71Å
135G96.3Very high97.1Very high62 Ų6245 Ų4564%0.63925%0.249SC*.SBendtrans73.33.8-179.700000114.5L131L131-G135 WeakPolarHBondContact O-CA 3.29Å; L131-G135 PolarHBondContact O-N 2.62Å
136N95.7Very high97.3Very high38 Ų3844.1 Ų44.120%0.20324%0.239CC..SBendtrans-156.2160.8179.568.776.6000110.8F134 L138F134-N136 PolarHBondContact O-N 2.64Å; F134-N136 PolarHBondContact O-ND2 3.2Å; F134-N136 VanDerWaalsContact O-ND2 3.09Å; N136-L138 HydrophobicContact CB-CG 4.49Å; N136-L138 WeakPolarHBondContact OD1-CB 3.47Å; N136-L138 WeakPolarHBondContact OD1-CD1 3.38Å; N136-L138 WeakPolarHBondContact OD1-CG 3.38Å; N136-L138 PolarHBondContact OD1-N 3.28Å
137P94.5Very high97.3Very high32 Ų3244.1 Ų44.121%0.20824%0.239CC..SBendtrans-87.14.7-17835.4-36.6000114.4Y127 L139 W140 E141Y127-P137 HydrophobicContact CD2-CB 4.27Å; Y127-P137 HydrophobicContact CE2-CB 3.52Å; Y127-P137 HydrophobicContact CE2-CG 4.44Å; P137-L139 PolarHBondContact O-N 3.01Å; P137-L139 VanDerWaalsContact O-N 3.15Å; P137-W140 WeakPolarHBondContact O-CB 3.06Å; P137-W140 PolarHBondContact O-N 3.06Å; P137-E141 PolarHBondContact O-N 2.89Å
138L96Very high97.3Very high66 Ų6642.2 Ų42.235%0.34623%0.232SC..Hα-helixtrans-62.5-30-169.8-59.9172.8000113N136 E141 S142N136-L138 HydrophobicContact CB-CG 4.49Å; N136-L138 WeakPolarHBondContact OD1-CB 3.47Å; N136-L138 WeakPolarHBondContact OD1-CD1 3.38Å; N136-L138 WeakPolarHBondContact OD1-CG 3.38Å; N136-L138 PolarHBondContact OD1-N 3.28Å; L138-E141 WeakPolarHBondContact CD2-OE2 3.35Å; L138-S142 WeakPolarHBondContact O-CB 3.31Å; L138-S142 PolarHBondContact O-N 2.88Å; L138-S142 PolarHBondContact O-OG 2.87Å
139L95.9Very high97.3Very high10 Ų1039.9 Ų39.95%0.05222%0.217CC..Hα-helixtrans-66.9-46.6173.9178.562.6000111.3L25 I29 V91 F134 P137 E141 S142 C143L25-L139 HydrophobicContact CB-CD1 4.13Å; L25-L139 HydrophobicContact CD1-CD1 4.05Å; L25-L139 HydrophobicContact CD1-CD2 3.86Å; I29-L139 HydrophobicContact CD1-CD1 3.73Å; V91-L139 HydrophobicContact CG1-CD2 3.98Å; V91-L139 HydrophobicContact CG2-CD2 4.1Å; F134-L139 HydrophobicContact CD2-CD2 3.72Å; F134-L139 HydrophobicContact CE1-CD2 4.47Å; F134-L139 HydrophobicContact CE2-CD2 3.27Å; F134-L139 HydrophobicContact CZ-CD2 3.71Å; P137-L139 PolarHBondContact O-N 3.01Å; P137-L139 VanDerWaalsContact O-N 3.15Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 2.86Å; L139-S142 PolarHBondContact O-N 3.05Å; L139-C143 PolarHBondContact O-N 2.89Å; L139-C143 PolarHBondContact O-SG 3.12Å
140W98Very high97.4Very high26 Ų2639.1 Ų39.110%0.09821%0.213CC..Hα-helixtrans-59.3-43.8175.9167.983.4000110.7R118 S121 F126 Y127 C130 P137 S142 C143 C144R118-W140 HydrophobicContact CB-CH2 4.26Å; R118-W140 HydrophobicContact CB-CZ2 4.03Å; R118-W140 HydrophobicContact CG-CH2 4.33Å; R118-W140 HydrophobicContact CG-CZ2 4.25Å; S121-W140 PolarHBondContact OG-NE1 3.32Å; F126-W140 AromaticContact CD1-CD1 3.64Å; F126-W140 AromaticContact CE1-CD1 3.97Å; Y127-W140 AromaticContact CD2-CD2 3.56Å; Y127-W140 HydrophobicContact CD2-CD2 3.56Å; Y127-W140 AromaticContact CD2-CE2 3.93Å; Y127-W140 AromaticContact CD2-CE3 3.58Å; Y127-W140 HydrophobicContact CD2-CE3 3.58Å; Y127-W140 AromaticContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CG 3.97Å; Y127-W140 HydrophobicContact CD2-CH2 4.34Å; Y127-W140 HydrophobicContact CD2-CZ2 4.32Å; Y127-W140 AromaticContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CE2-CD2 4.35Å; Y127-W140 AromaticContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CE3 3.91Å; Y127-W140 HydrophobicContact CE2-CZ3 4.12Å; Y127-W140 HydrophobicContact CG-CD2 4.49Å; C130-W140 HydrophobicContact CB-CB 3.95Å; P137-W140 WeakPolarHBondContact O-CB 3.06Å; P137-W140 PolarHBondContact O-N 3.06Å; W140-S142 VanDerWaalsContact C-N 3.35Å; W140-S142 PolarHBondContact O-N 2.85Å; W140-C143 PolarHBondContact O-N 2.81Å; W140-C144 PolarHBondContact NE1-SG 2.84Å; W140-C144 VanDerWaalsContact NE1-SG 3.44Å; W140-C144 WeakPolarHBondContact O-CB 3.45Å; W140-C144 PolarHBondContact O-N 3.43Å; W140-C144 PolarHBondContact O-SG 2.92Å
141E98.1Very high97.4Very high75 Ų7539.1 Ų39.135%0.3521%0.213SC..Hα-helixtrans-59.8-45.5176.4-67.4176.2172.300111.9R118 P137 L138 L139 C144 D145R118-E141 PolarHBondContact NH2-O 3.5Å; P137-E141 PolarHBondContact O-N 2.89Å; L138-E141 WeakPolarHBondContact CD2-OE2 3.35Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 2.86Å; E141-C144 PolarHBondContact O-N 3.21Å; E141-D145 PolarHBondContact O-N 3.44Å
142S98Very high97.5Very high28 Ų2835.9 Ų35.920%0.19620%0.196CC..Hα-helixtrans-64.8-39.4179.1-58.10000112.1L138 L139 W140 L146L138-S142 WeakPolarHBondContact O-CB 3.31Å; L138-S142 PolarHBondContact O-N 2.88Å; L138-S142 PolarHBondContact O-OG 2.87Å; L139-S142 PolarHBondContact O-N 3.05Å; W140-S142 VanDerWaalsContact C-N 3.35Å; W140-S142 PolarHBondContact O-N 2.85Å; S142-L146 PolarHBondContact O-N 2.83Å
143C98.6Very high97.6Very high2 Ų228.7 Ų28.71%0.01416%0.159CC..Hα-helixtrans-67.3-40.7174.6-74.10000111.5F126 L139 W140 D145 L146 F147F126-C143 HydrophobicContact CE1-CB 3.81Å; F126-C143 HydrophobicContact CZ-CB 3.88Å; L139-C143 PolarHBondContact O-N 2.89Å; L139-C143 PolarHBondContact O-SG 3.12Å; W140-C143 PolarHBondContact O-N 2.81Å; C143-D145 VanDerWaalsContact C-N 3.32Å; C143-D145 PolarHBondContact O-N 3.15Å; C143-L146 WeakPolarHBondContact O-CB 3.2Å; C143-L146 PolarHBondContact O-N 2.85Å; C143-L146 VanDerWaalsContact O-N 3.12Å; C143-F147 HydrophobicContact CB-CE1 4.28Å; C143-F147 HydrophobicContact CB-CE2 4.31Å; C143-F147 HydrophobicContact CB-CZ 3.92Å; C143-F147 WeakPolarHBondContact O-CD1 3.46Å; C143-F147 WeakPolarHBondContact O-CD2 3.36Å; C143-F147 WeakPolarHBondContact O-CG 3.06Å; C143-F147 PolarHBondContact O-N 2.82Å
144C98.5Very high97.7Very high0 Ų025.8 Ų25.80%015%0.146CC..Hα-helixtrans-61.7-40.3175.9-70.90000112.5R118 W140 E141 L146 F147 H148R118-C144 HydrophobicContact CG-CB 3.5Å; R118-C144 VanDerWaalsContact CZ-CB 3.48Å; W140-C144 PolarHBondContact NE1-SG 2.84Å; W140-C144 VanDerWaalsContact NE1-SG 3.44Å; W140-C144 WeakPolarHBondContact O-CB 3.45Å; W140-C144 PolarHBondContact O-N 3.43Å; W140-C144 PolarHBondContact O-SG 2.92Å; E141-C144 PolarHBondContact O-N 3.21Å; C144-L146 VanDerWaalsContact C-N 3.32Å; C144-F147 PolarHBondContact O-N 2.99Å; C144-H148 PolarHBondContact O-CD2 3.42Å; C144-H148 VanDerWaalsContact O-CD2 3.28Å
145D98.3Very high97.9Very high82 Ų8224.6 Ų24.644%0.43914%0.142SC..Hα-helixtrans-65-37.2173.6-70.1-26000111.8R118 E141 C143 H148 Y149R118-D145 IonicContact CZ-OD1 2.82Å; R118-D145 VanDerWaalsContact NH2-CG 3.28Å; R118-D145 IonicContact NH2-OD1 3.83Å; R118-D145 PolarHBondContact NH2-OD1 2.85Å; R118-D145 IonicContact NH2-OD2 2.69Å; E141-D145 PolarHBondContact O-N 3.44Å; C143-D145 VanDerWaalsContact C-N 3.32Å; C143-D145 PolarHBondContact O-N 3.15Å; D145-H148 PolarHBondContact O-N 3.46Å; D145-Y149 VanDerWaalsContact O-CD2 3.32Å; D145-Y149 WeakPolarHBondContact O-CD2 3.4Å; D145-Y149 WeakPolarHBondContact O-CE2 3.48Å
146L98.8Very high98Very high3 Ų321.7 Ų21.72%0.01611%0.112CC..Hα-helixtrans-64.3-39.8174.5178.666.3000112.1I29 A32 R33 F36 L98 S142 C143 C144 H148 Y149I29-L146 HydrophobicContact CG1-CD2 4.34Å; I29-L146 HydrophobicContact CG2-CB 4.08Å; I29-L146 HydrophobicContact CG2-CD2 4.19Å; A32-L146 HydrophobicContact CB-CD1 4.03Å; A32-L146 HydrophobicContact CB-CD2 4.13Å; R33-L146 HydrophobicContact CB-CD1 3.75Å; R33-L146 VanDerWaalsContact N-CD1 3.34Å; F36-L146 HydrophobicContact CD2-CD1 3.79Å; F36-L146 HydrophobicContact CD2-CG 4.4Å; F36-L146 HydrophobicContact CE2-CD1 4.08Å; F36-L146 HydrophobicContact CE2-CD2 4.47Å; F36-L146 HydrophobicContact CE2-CG 4.29Å; L98-L146 HydrophobicContact CD1-CD2 3.47Å; L98-L146 VanDerWaalsContact CD1-CD2 3.47Å; L98-L146 HydrophobicContact CD2-CD2 3.71Å; L98-L146 HydrophobicContact CG-CD2 4.25Å; S142-L146 PolarHBondContact O-N 2.83Å; C143-L146 WeakPolarHBondContact O-CB 3.2Å; C143-L146 PolarHBondContact O-N 2.85Å; C143-L146 VanDerWaalsContact O-N 3.12Å; C144-L146 VanDerWaalsContact C-N 3.32Å; L146-H148 PolarHBondContact O-N 2.81Å; L146-H148 VanDerWaalsContact O-N 3.13Å; L146-Y149 WeakPolarHBondContact O-CB 3.49Å; L146-Y149 PolarHBondContact O-N 2.88Å
147F98.8Very high98.1Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-58.5-27.5-178-63.3-24.7000112.8V84 I94 R112 E116 F126 C143 C144 Y149 M150V84-F147 HydrophobicContact CG1-CZ 4.33Å; V84-F147 HydrophobicContact CG2-CZ 4.5Å; I94-F147 HydrophobicContact CD1-CE1 4.19Å; I94-F147 HydrophobicContact CG1-CE1 4.4Å; R112-F147 VanDerWaalsContact CD-O 3.26Å; R112-F147 WeakPolarHBondContact CD-O 3.19Å; R112-F147 VanDerWaalsContact CZ-O 3.27Å; R112-F147 PolarHBondContact NE-O 2.97Å; R112-F147 VanDerWaalsContact NE-O 3.13Å; R112-F147 PolarHBondContact NH1-O 2.91Å; E116-F147 VanDerWaalsContact CA-CD2 3.45Å; E116-F147 HydrophobicContact CB-CB 3.95Å; E116-F147 HydrophobicContact CB-CD1 3.97Å; E116-F147 HydrophobicContact CB-CD2 3.87Å; E116-F147 HydrophobicContact CB-CE1 4.44Å; E116-F147 HydrophobicContact CB-CE2 4.34Å; E116-F147 HydrophobicContact CB-CG 3.67Å; E116-F147 HydrophobicContact CG-CD1 3.75Å; E116-F147 HydrophobicContact CG-CD2 4.24Å; E116-F147 HydrophobicContact CG-CE1 3.83Å; E116-F147 HydrophobicContact CG-CE2 4.31Å; E116-F147 HydrophobicContact CG-CG 3.97Å; E116-F147 HydrophobicContact CG-CZ 4.11Å; E116-F147 WeakPolarHBondContact O-CB 3.33Å; F126-F147 HydrophobicContact CE1-CE2 4.21Å; F126-F147 HydrophobicContact CE1-CZ 4.01Å; C143-F147 HydrophobicContact CB-CE1 4.28Å; C143-F147 HydrophobicContact CB-CE2 4.31Å; C143-F147 HydrophobicContact CB-CZ 3.92Å; C143-F147 WeakPolarHBondContact O-CD1 3.46Å; C143-F147 WeakPolarHBondContact O-CD2 3.36Å; C143-F147 WeakPolarHBondContact O-CG 3.06Å; C143-F147 PolarHBondContact O-N 2.82Å; C144-F147 PolarHBondContact O-N 2.99Å; F147-Y149 PolarHBondContact O-N 3.25Å; F147-M150 HydrophobicContact CD1-CE 3.72Å; F147-M150 HydrophobicContact CD1-SD 3.85Å; F147-M150 HydrophobicContact CE1-CE 4.05Å; F147-M150 PolarHBondContact O-N 2.79Å
148H98.6Very high98.2Very high32 Ų3222.5 Ų22.515%0.14813%0.126CC..THydrogen-bonded Turntrans-60.7-24.2174.7-63.2-177000112.8R112 C144 D145 L146 R182 F183 C184 E185R112-H148 PolarHBondContact NH2-CD2 2.67Å; R112-H148 VanDerWaalsContact NH2-CD2 3.33Å; C144-H148 PolarHBondContact O-CD2 3.42Å; C144-H148 VanDerWaalsContact O-CD2 3.28Å; D145-H148 PolarHBondContact O-N 3.46Å; L146-H148 PolarHBondContact O-N 2.81Å; L146-H148 VanDerWaalsContact O-N 3.13Å; H148-R182 CarbonylContact O-C 3.41Å; H148-F183 VanDerWaalsContact O-CA 3.32Å; H148-F183 WeakPolarHBondContact O-CA 3.42Å; H148-C184 PolarHBondContact CD2-O 3.03Å; H148-E185 IonicContact CD2-OE2 3.52Å; H148-E185 IonicContact NE2-OE2 3.23Å; H148-E185 PolarHBondContact NE2-OE2 2.97Å
149Y98.7Very high98.2Very high43 Ų4320.2 Ų20.217%0.16912%0.116CC..THydrogen-bonded Turntrans-88.7-18.1-177.3-67.2-94000113.7R33 L37 D145 L146 F147 R182 F183R33-Y149 HydrophobicContact CG-CD1 4Å; R33-Y149 HydrophobicContact CG-CD2 3.89Å; R33-Y149 HydrophobicContact CG-CE1 4.12Å; R33-Y149 HydrophobicContact CG-CE2 3.98Å; R33-Y149 HydrophobicContact CG-CG 3.93Å; R33-Y149 PolarHBondContact NE-OH 2.79Å; R33-Y149 PolarHBondContact NH2-OH 2.84Å; L37-Y149 HydrophobicContact CB-CD1 4.39Å; L37-Y149 HydrophobicContact CD1-CD1 4.11Å; L37-Y149 HydrophobicContact CD1-CE1 3.96Å; D145-Y149 VanDerWaalsContact O-CD2 3.32Å; D145-Y149 WeakPolarHBondContact O-CD2 3.4Å; D145-Y149 WeakPolarHBondContact O-CE2 3.48Å; L146-Y149 WeakPolarHBondContact O-CB 3.49Å; L146-Y149 PolarHBondContact O-N 2.88Å; F147-Y149 PolarHBondContact O-N 3.25Å; Y149-R182 PolarHBondContact O-NE 2.98Å; Y149-R182 PolarHBondContact O-NH2 3.31Å; Y149-F183 AromaticContact CD1-CD1 3.64Å; Y149-F183 HydrophobicContact CD1-CD1 3.64Å; Y149-F183 AromaticContact CD1-CE1 3.52Å; Y149-F183 HydrophobicContact CD1-CE1 3.52Å; Y149-F183 AromaticContact CE1-CD1 3.85Å; Y149-F183 HydrophobicContact CE1-CD1 3.85Å; Y149-F183 HydrophobicContact CE1-CE1 4.01Å; Y149-F183 HydrophobicContact CG-CD1 4.13Å; Y149-F183 HydrophobicContact CG-CE1 4.21Å
150M98.8Very high98.4Very high0 Ų020.1 Ų20.10%012%0.115CC..SBendtrans-63.8136.3-174.8-70.6179.3168.600111.8F36 Y83 I94 L98 R112 E116 F147 R182F36-M150 HydrophobicContact CD2-CG 4.33Å; F36-M150 HydrophobicContact CE1-CG 4.16Å; F36-M150 HydrophobicContact CE2-CE 4.02Å; F36-M150 HydrophobicContact CE2-CG 3.97Å; F36-M150 HydrophobicContact CZ-CE 3.96Å; F36-M150 HydrophobicContact CZ-CG 3.87Å; Y83-M150 HydrophobicContact CD2-CE 4.44Å; Y83-M150 HydrophobicContact CE2-CE 4.13Å; Y83-M150 HydrophobicContact CE2-SD 4.18Å; I94-M150 HydrophobicContact CD1-CE 4.38Å; L98-M150 HydrophobicContact CD2-CE 4.44Å; R112-M150 HydrophobicContact CB-CB 3.9Å; R112-M150 HydrophobicContact CG-CB 4.26Å; E116-M150 HydrophobicContact CB-SD 4.46Å; E116-M150 HydrophobicContact CG-SD 3.99Å; F147-M150 HydrophobicContact CD1-CE 3.72Å; F147-M150 HydrophobicContact CD1-SD 3.85Å; F147-M150 HydrophobicContact CE1-CE 4.05Å; F147-M150 PolarHBondContact O-N 2.79Å; M150-R182 WeakPolarHBondContact O-CD 3.38Å
151P98.8Very high98.4Very high1 Ų118.9 Ų18.91%0.00611%0.11CC..  trans-56.5152.5171-24.133.3000112.8E39 V43 L111 R112E39-P151 HydrophobicContact CB-CG 3.97Å; E39-P151 VanDerWaalsContact OE2-CG 3.27Å; E39-P151 WeakPolarHBondContact OE2-CG 3.31Å; V43-P151 HydrophobicContact CG2-CB 3.55Å; V43-P151 HydrophobicContact CG2-CG 3.54Å; L111-P151 CarbonylContact C-O 3.57Å; L111-P151 WeakPolarHBondContact CA-O 3.39Å; L111-P151 HydrophobicContact CD2-CB 3.97Å; R112-P151 WeakPolarHBondContact CB-O 3.41Å; R112-P151 PolarHBondContact N-O 3.1Å
152I98.8Very high98.5Very high2 Ų215.3 Ų15.31%0.019%0.093CC..SBendtrans-91.3-35.2-177.5-61.1174.2000111T41 L180 R182 F192 L195T41-I152 HydrophobicContact CG2-CB 4.24Å; T41-I152 HydrophobicContact CG2-CD1 3.71Å; T41-I152 HydrophobicContact CG2-CG1 4.02Å; T41-I152 PolarHBondContact O-N 3.45Å; I152-L180 HydrophobicContact CD1-CB 4.49Å; I152-L180 HydrophobicContact CD1-CD1 4.5Å; I152-R182 HydrophobicContact CD1-CB 3.69Å; I152-R182 HydrophobicContact CG1-CB 3.97Å; I152-F192 HydrophobicContact CD1-CD1 4.32Å; I152-F192 HydrophobicContact CD1-CD2 3.51Å; I152-F192 HydrophobicContact CD1-CE1 4.35Å; I152-F192 HydrophobicContact CD1-CE2 3.6Å; I152-F192 HydrophobicContact CD1-CG 3.94Å; I152-F192 HydrophobicContact CD1-CZ 4.02Å; I152-F192 HydrophobicContact CG1-CD2 4.07Å; I152-F192 HydrophobicContact CG1-CE2 3.7Å; I152-F192 HydrophobicContact CG1-CZ 4.18Å; I152-F192 HydrophobicContact CG2-CD2 4.28Å; I152-F192 HydrophobicContact CG2-CE2 4.34Å; I152-L195 HydrophobicContact CG2-CB 4Å; I152-L195 HydrophobicContact CG2-CD1 3.73Å; I152-L195 HydrophobicContact CG2-CG 4.49Å
153A98.9Very high98.5Very high0 Ų014 Ų140%08%0.084CC..EExtended strand (participates in β ladder)trans-145.6170-175.800000111.4T41 V42 V43 L111 F161 C162T41-A153 PolarHBondContact O-N 3.29Å; V42-A153 CarbonylContact C-O 3.59Å; V42-A153 VanDerWaalsContact CA-O 3.31Å; V42-A153 WeakPolarHBondContact CA-O 3.19Å; V42-A153 HydrophobicContact CG1-CB 4.07Å; V42-A153 HydrophobicContact CG2-CB 4.22Å; V43-A153 PolarHBondContact N-O 3.15Å; L111-A153 WeakPolarHBondContact CD2-O 3.47Å; A153-F161 HydrophobicContact CB-CE2 3.67Å; A153-F161 HydrophobicContact CB-CZ 4Å; A153-C162 CarbonylContact C-O 3.57Å; A153-C162 VanDerWaalsContact CA-O 3.24Å; A153-C162 WeakPolarHBondContact CA-O 3.12Å; A153-C162 VanDerWaalsContact CB-O 3.31Å; A153-C162 WeakPolarHBondContact CB-O 3.27Å
154A98.9Very high98.5Very high0 Ų013.9 Ų13.90%08%0.083CC..EExtended strand (participates in β ladder)trans-137.4158.8166.900000111.4V43 L45 V78 L111 C162V43-A154 HydrophobicContact CB-CB 4.26Å; V43-A154 CarbonylContact O-C 3.55Å; V43-A154 WeakPolarHBondContact O-CA 3.38Å; V43-A154 WeakPolarHBondContact O-CB 3.18Å; L45-A154 HydrophobicContact CD1-CB 3.92Å; L45-A154 HydrophobicContact CG-CB 4.39Å; V78-A154 HydrophobicContact CG2-CB 4.32Å; L111-A154 HydrophobicContact CD1-CB 4.25Å; L111-A154 HydrophobicContact CD2-CB 4.18Å; A154-C162 HydrophobicContact CB-CB 4.1Å; A154-C162 PolarHBondContact N-O 2.77Å; A154-C162 PolarHBondContact O-N 3.29Å
155V98.8Very high98.5Very high15 Ų1513.9 Ų13.99%0.0918%0.083CC..EExtended strand (participates in β ladder)trans-123121.5169.2-177.90000108.8V42 V43 L45 Y160 F161 I174 I231V42-V155 HydrophobicContact CG1-CG2 3.89Å; V43-V155 PolarHBondContact O-N 2.87Å; L45-V155 PolarHBondContact N-O 2.95Å; V155-Y160 CarbonylContact C-O 3.25Å; V155-Y160 VanDerWaalsContact CA-O 3.28Å; V155-Y160 WeakPolarHBondContact CA-O 3.36Å; V155-F161 HydrophobicContact CG2-CD2 4.3Å; V155-I174 HydrophobicContact CG2-CD1 3.81Å; V155-I174 HydrophobicContact CG2-CG2 3.94Å; V155-I231 HydrophobicContact CG1-CD1 3.95Å
156V98.8Very high98.5Very high0 Ų010 Ų100%06%0.062CC..EExtended strand (participates in β ladder)trans-99.4127.2177.4-169.90000109.4L45 L49 G158 S159 Y160L45-V156 HydrophobicContact CB-CG2 4.28Å; L45-V156 CarbonylContact O-C 3.59Å; L45-V156 WeakPolarHBondContact O-CA 3.4Å; L49-V156 HydrophobicContact CD1-CG1 4.29Å; L49-V156 HydrophobicContact CD1-CG2 4.18Å; L49-V156 HydrophobicContact CD2-CB 4.45Å; L49-V156 HydrophobicContact CD2-CG1 3.68Å; L49-V156 HydrophobicContact CD2-CG2 3.92Å; L49-V156 HydrophobicContact CG-CG1 4.01Å; V156-G158 PolarHBondContact O-N 2.88Å; V156-S159 PolarHBondContact O-N 2.89Å; V156-Y160 HydrophobicContact CB-CD2 4.26Å; V156-Y160 PolarHBondContact N-O 2.71Å; V156-Y160 PolarHBondContact O-N 3.02Å
157D98.2Very high98.5Very high37 Ų379.9 Ų9.920%0.1986%0.062CC..THydrogen-bonded Turntrans54.820.9178.4-59.5-36.2000114.4L45 N46 S47 S159 P278L45-D157 PolarHBondContact O-N 2.95Å; N46-D157 WeakPolarHBondContact CA-OD1 3.48Å; S47-D157 WeakPolarHBondContact CB-OD2 3.33Å; S47-D157 PolarHBondContact N-OD1 3.1Å; S47-D157 VanDerWaalsContact OG-CG 3.29Å; S47-D157 PolarHBondContact OG-OD1 3.12Å; S47-D157 PolarHBondContact OG-OD2 2.67Å; D157-S159 PolarHBondContact O-N 2.93Å; D157-P278 HydrophobicContact CB-CB 4.09Å; D157-P278 HydrophobicContact CB-CG 3.89Å
158G96.5Very high98.5Very high50 Ų5010 Ų1052%0.5156%0.063SC..THydrogen-bonded Turntrans65.310.3-171.600000114.6V156 I231V156-G158 PolarHBondContact O-N 2.88Å; G158-I231 WeakPolarHBondContact O-CD1 3.05Å
159S96.5Very high98.5Very high18 Ų1810.1 Ų10.113%0.1267%0.067CC..THydrogen-bonded Turntrans-127.5-26.8-168.5-171.30000114.2V156 D157 I231 S232 M233V156-S159 PolarHBondContact O-N 2.89Å; D157-S159 PolarHBondContact O-N 2.93Å; S159-I231 WeakPolarHBondContact O-CG2 3.31Å; S159-S232 PolarHBondContact O-N 2.86Å; S159-S232 WeakPolarHBondContact OG-CB 3.47Å; S159-S232 PolarHBondContact OG-OG 3.09Å; S159-M233 PolarHBondContact O-N 2.62Å
160Y98.7Very high98.4Very high8 Ų812.6 Ų12.63%0.0318%0.083CC..EExtended strand (participates in β ladder)trans-112.2119.4178.2-54.3-92.9000109.5V155 V156 M233 V275 P278 Y281V155-Y160 CarbonylContact C-O 3.25Å; V155-Y160 VanDerWaalsContact CA-O 3.28Å; V155-Y160 WeakPolarHBondContact CA-O 3.36Å; V156-Y160 HydrophobicContact CB-CD2 4.26Å; V156-Y160 PolarHBondContact N-O 2.71Å; V156-Y160 PolarHBondContact O-N 3.02Å; Y160-M233 WeakPolarHBondContact CA-O 3.39Å; Y160-M233 HydrophobicContact CD1-CB 3.91Å; Y160-M233 HydrophobicContact CD1-SD 4.25Å; Y160-M233 HydrophobicContact CE1-CB 4.29Å; Y160-M233 HydrophobicContact CE1-CE 4.21Å; Y160-M233 HydrophobicContact CE1-SD 4.34Å; Y160-V275 HydrophobicContact CD2-CG1 4.3Å; Y160-V275 HydrophobicContact CE2-CG1 3.85Å; Y160-P278 WeakPolarHBondContact CE2-O 3.25Å; Y160-P278 PolarHBondContact OH-O 3.27Å; Y160-Y281 AromaticContact CE1-CD1 3.9Å; Y160-Y281 HydrophobicContact CE1-CD1 3.9Å; Y160-Y281 HydrophobicContact CE1-CE1 4.36Å; Y160-Y281 WeakPolarHBondContact OH-CD1 3.48Å
161F98.8Very high98.4Very high0 Ų013 Ų130%09%0.085CC..EExtended strand (participates in β ladder)trans-92.3111.8174175.1-109.9000109.8A153 V155 V163 I167 I174 M177 L195 F225 I231 M233 I234 C235A153-F161 HydrophobicContact CB-CE2 3.67Å; A153-F161 HydrophobicContact CB-CZ 4Å; V155-F161 HydrophobicContact CG2-CD2 4.3Å; F161-V163 HydrophobicContact CD1-CB 4.48Å; F161-V163 HydrophobicContact CD1-CG1 4.25Å; F161-V163 HydrophobicContact CE1-CB 3.74Å; F161-V163 HydrophobicContact CE1-CG1 3.68Å; F161-V163 HydrophobicContact CE1-CG2 4.42Å; F161-V163 HydrophobicContact CZ-CB 3.94Å; F161-V163 HydrophobicContact CZ-CG1 4.37Å; F161-V163 HydrophobicContact CZ-CG2 4.34Å; F161-I167 HydrophobicContact CE1-CG2 4.47Å; F161-I174 HydrophobicContact CB-CD1 4.48Å; F161-I174 HydrophobicContact CD2-CD1 3.72Å; F161-I174 HydrophobicContact CD2-CG1 3.93Å; F161-I174 HydrophobicContact CE2-CD1 4.36Å; F161-I174 HydrophobicContact CE2-CG1 4.06Å; F161-I174 HydrophobicContact CG-CD1 4.35Å; F161-M177 HydrophobicContact CE2-SD 3.76Å; F161-M177 HydrophobicContact CZ-CE 4.05Å; F161-M177 HydrophobicContact CZ-SD 3.6Å; F161-M177 VanDerWaalsContact CZ-SD 3.6Å; F161-L195 HydrophobicContact CZ-CD2 4.43Å; F161-F225 HydrophobicContact CB-CE1 4.19Å; F161-F225 AromaticContact CD1-CE1 3.55Å; F161-F225 HydrophobicContact CD1-CE1 3.55Å; F161-F225 AromaticContact CD1-CZ 3.75Å; F161-F225 HydrophobicContact CD1-CZ 3.75Å; F161-F225 HydrophobicContact CD2-CZ 4.23Å; F161-F225 HydrophobicContact CE1-CE1 4.03Å; F161-F225 AromaticContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE2-CZ 4.29Å; F161-F225 AromaticContact CG-CE1 3.84Å; F161-F225 HydrophobicContact CG-CE1 3.84Å; F161-F225 AromaticContact CG-CZ 3.96Å; F161-F225 HydrophobicContact CG-CZ 3.96Å; F161-F225 HydrophobicContact CZ-CZ 4.1Å; F161-I231 HydrophobicContact CB-CG1 4.39Å; F161-I231 HydrophobicContact CB-CG2 3.76Å; F161-M233 PolarHBondContact N-O 3.29Å; F161-I234 HydrophobicContact CD1-CG1 4.4Å; F161-I234 HydrophobicContact CD1-CG2 4.32Å; F161-I234 CarbonylContact O-C 3.51Å; F161-I234 WeakPolarHBondContact O-CA 3.3Å; F161-C235 PolarHBondContact O-N 2.86Å
162C98.9Very high98.2Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-97.6126.3180-65.60000110.6I51 L80 L111 A153 A154 C235I51-C162 VanDerWaalsContact CD1-SG 3.51Å; L80-C162 HydrophobicContact CD2-CB 3.68Å; L111-C162 HydrophobicContact CD1-CB 4.14Å; A153-C162 CarbonylContact C-O 3.57Å; A153-C162 VanDerWaalsContact CA-O 3.24Å; A153-C162 WeakPolarHBondContact CA-O 3.12Å; A153-C162 VanDerWaalsContact CB-O 3.31Å; A153-C162 WeakPolarHBondContact CB-O 3.27Å; A154-C162 HydrophobicContact CB-CB 4.1Å; A154-C162 PolarHBondContact N-O 2.77Å; A154-C162 PolarHBondContact O-N 3.29Å; C162-C235 VanDerWaalsContact CA-O 3.32Å; C162-C235 WeakPolarHBondContact CA-O 3.32Å
163V98.9Very high98.2Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-149.3156.8177.867.60000109.5F161 L195 C235 R236F161-V163 HydrophobicContact CD1-CB 4.48Å; F161-V163 HydrophobicContact CD1-CG1 4.25Å; F161-V163 HydrophobicContact CE1-CB 3.74Å; F161-V163 HydrophobicContact CE1-CG1 3.68Å; F161-V163 HydrophobicContact CE1-CG2 4.42Å; F161-V163 HydrophobicContact CZ-CB 3.94Å; F161-V163 HydrophobicContact CZ-CG1 4.37Å; F161-V163 HydrophobicContact CZ-CG2 4.34Å; V163-L195 HydrophobicContact CG2-CB 4.17Å; V163-L195 HydrophobicContact CG2-CD2 4.3Å; V163-L195 VanDerWaalsContact CG2-O 3.26Å; V163-L195 WeakPolarHBondContact CG2-O 3.47Å; V163-C235 PolarHBondContact N-O 2.91Å; V163-C235 VanDerWaalsContact N-O 3.09Å; V163-R236 HydrophobicContact CG1-CB 4.18Å; V163-R236 VanDerWaalsContact O-CA 3.28Å; V163-R236 WeakPolarHBondContact O-CA 3.32Å
164H98.9Very high98.1Very high0 Ų024.8 Ų24.80%014%0.137CC..SBendtrans-59.2-62.1174.2-175.348.1000111.7D54 L80 D82 G113 N114 A237 H238D54-H164 IonicContact OD1-CE1 3.41Å; D54-H164 PolarHBondContact OD1-CE1 2.85Å; D54-H164 VanDerWaalsContact OD1-CE1 3.3Å; L80-H164 WeakPolarHBondContact O-CA 3.28Å; L80-H164 WeakPolarHBondContact O-CB 3.46Å; L80-H164 PolarHBondContact O-ND1 3.18Å; D82-H164 IonicContact OD1-CD2 2.66Å; D82-H164 IonicContact OD1-CE1 2.62Å; D82-H164 PolarHBondContact OD1-CE1 3.01Å; D82-H164 IonicContact OD1-NE2 3.11Å; D82-H164 PolarHBondContact OD1-NE2 3.15Å; D82-H164 VanDerWaalsContact OD1-NE2 3.08Å; D82-H164 IonicContact OD2-CE1 2.64Å; D82-H164 PolarHBondContact OD2-CE1 3.29Å; D82-H164 VanDerWaalsContact OD2-CE1 3.23Å; D82-H164 IonicContact OD2-NE2 2.77Å; D82-H164 PolarHBondContact OD2-NE2 3.21Å; G113-H164 WeakPolarHBondContact CA-CD2 3.36Å; G113-H164 VanDerWaalsContact CA-CG 3.49Å; N114-H164 PolarHBondContact N-CD2 3.31Å; N114-H164 PolarHBondContact OD1-CD2 3.47Å; N114-H164 VanDerWaalsContact OD1-CD2 3.29Å; N114-H164 PolarHBondContact OD1-NE2 2.91Å; H164-A237 CarbonylContact O-C 3.46Å; H164-A237 WeakPolarHBondContact O-CA 3.39Å; H164-A237 PolarHBondContact O-N 3.25Å; H164-H238 AromaticContact CD2-ND1 3.6Å; H164-H238 AromaticContact NE2-CG 3.77Å; H164-H238 AromaticContact NE2-ND1 3.14Å; H164-H238 PolarHBondContact NE2-ND1 3.34Å; H164-H238 VanDerWaalsContact NE2-ND1 3.14Å
165A98.8Very high98Very high0 Ų029.2 Ų29.20%017%0.168CC..SBendtrans-105.5-76-171.200000111.7L195 V196 W197 S198 R236 H238A165-L195 WeakPolarHBondContact CB-O 3.36Å; A165-L195 PolarHBondContact N-O 3.49Å; A165-L195 VanDerWaalsContact N-O 3.12Å; A165-V196 VanDerWaalsContact CB-O 3.32Å; A165-V196 WeakPolarHBondContact CB-O 3.44Å; A165-W197 VanDerWaalsContact CB-N 3.33Å; A165-S198 CarbonylContact C-O 3.53Å; A165-S198 VanDerWaalsContact C-O 3.25Å; A165-S198 VanDerWaalsContact CB-O 3.25Å; A165-S198 WeakPolarHBondContact CB-O 3.46Å; A165-R236 VanDerWaalsContact C-NH2 3.32Å; A165-R236 VanDerWaalsContact O-CB 3.28Å; A165-R236 WeakPolarHBondContact O-CB 3.3Å; A165-R236 WeakPolarHBondContact O-CG 3.38Å; A165-R236 PolarHBondContact O-NE 2.95Å; A165-R236 PolarHBondContact O-NH2 3.06Å; A165-H238 HydrophobicContact CB-CB 4.1Å
166G98.2Very high98Very high0 Ų030.5 Ų30.50%018%0.181CC..  trans-163.4-161.3-167.900000114.5L195 S198G166-L195 PolarHBondContact N-O 3.38Å; G166-L195 VanDerWaalsContact N-O 3.15Å; G166-L195 WeakPolarHBondContact O-CD2 3.12Å; G166-S198 PolarHBondContact N-O 2.79Å
167I98.6Very high98Very high2 Ų230.6 Ų30.61%0.0118%0.181CC..  trans-94.4166.8176.360.7171.3000110.4F161 S198 F206 F217 A221 F225 I234F161-I167 HydrophobicContact CE1-CG2 4.47Å; I167-S198 WeakPolarHBondContact O-CB 3.27Å; I167-S198 PolarHBondContact O-OG 2.82Å; I167-S198 VanDerWaalsContact O-OG 3.08Å; I167-F206 HydrophobicContact CD1-CE1 4.33Å; I167-F206 HydrophobicContact CD1-CZ 3.89Å; I167-F206 HydrophobicContact CG1-CE1 3.97Å; I167-F206 HydrophobicContact CG1-CZ 3.94Å; I167-F217 HydrophobicContact CD1-CB 4.39Å; I167-F217 HydrophobicContact CD1-CD2 3.73Å; I167-F217 HydrophobicContact CD1-CE2 4.21Å; I167-F217 HydrophobicContact CD1-CG 4.11Å; I167-F217 HydrophobicContact CG1-CB 4.15Å; I167-F217 HydrophobicContact CG1-CD1 4.01Å; I167-F217 HydrophobicContact CG1-CD2 3.6Å; I167-F217 HydrophobicContact CG1-CE1 4.3Å; I167-F217 HydrophobicContact CG1-CE2 3.91Å; I167-F217 HydrophobicContact CG1-CG 3.64Å; I167-F217 HydrophobicContact CG1-CZ 4.25Å; I167-A221 HydrophobicContact CD1-CB 3.93Å; I167-F225 HydrophobicContact CB-CG 4.47Å; I167-F225 HydrophobicContact CD1-CB 4.03Å; I167-F225 HydrophobicContact CG2-CB 4.36Å; I167-F225 HydrophobicContact CG2-CD1 3.72Å; I167-F225 HydrophobicContact CG2-CD2 4.02Å; I167-F225 HydrophobicContact CG2-CE1 3.97Å; I167-F225 HydrophobicContact CG2-CE2 4.27Å; I167-F225 HydrophobicContact CG2-CG 3.74Å; I167-F225 HydrophobicContact CG2-CZ 4.23Å; I167-I234 HydrophobicContact CG2-CD1 3.9Å
168S98.6Very high97.9Very high3 Ų331.5 Ų31.52%0.02119%0.186CC..BIsolated β-bridgetrans-128.1138.5-174.4172.70000110.8N170 V171 D194S168-N170 PolarHBondContact O-N 2.84Å; S168-N170 WeakPolarHBondContact OG-CA 3.38Å; S168-N170 WeakPolarHBondContact OG-CB 3.34Å; S168-N170 PolarHBondContact OG-N 3.42Å; S168-V171 PolarHBondContact OG-N 3.17Å; S168-D194 VanDerWaalsContact CB-CB 3.48Å; S168-D194 WeakPolarHBondContact OG-CB 3.38Å; S168-D194 PolarHBondContact OG-OD2 3.19Å
169P97.9Very high98Very high34 Ų3434.1 Ų34.122%0.22120%0.196CC..THydrogen-bonded Turntrans-68.8-21.9167.728.9-31.9000112.1F206 W215P169-F206 HydrophobicContact CB-CD1 4.33Å; P169-F206 HydrophobicContact CB-CD2 3.84Å; P169-F206 HydrophobicContact CB-CE1 4.43Å; P169-F206 HydrophobicContact CB-CE2 3.97Å; P169-F206 HydrophobicContact CB-CG 4.03Å; P169-F206 HydrophobicContact CB-CZ 4.26Å; P169-F206 HydrophobicContact CG-CD1 4.15Å; P169-F206 HydrophobicContact CG-CE1 4.4Å; P169-F206 HydrophobicContact CG-CG 4.19Å; P169-W215 VanDerWaalsContact CD-CD1 3.48Å; P169-W215 HydrophobicContact CG-CD2 3.89Å; P169-W215 HydrophobicContact CG-CG 4Å; P169-W215 HydrophobicContact CG-CZ2 4.19Å
170N97.4Very high98Very high95 Ų9535.2 Ų35.251%0.50820%0.2SC..THydrogen-bonded Turntrans-86-13.6-177.2-62.8-61.5000113.6S168 A191 D194S168-N170 PolarHBondContact O-N 2.84Å; S168-N170 WeakPolarHBondContact OG-CA 3.38Å; S168-N170 WeakPolarHBondContact OG-CB 3.34Å; S168-N170 PolarHBondContact OG-N 3.42Å; N170-A191 HydrophobicContact CB-CB 4.05Å; N170-D194 PolarHBondContact ND2-OD2 2.8Å
171V97.8Very high97.9Very high9 Ų940 Ų406%0.05523%0.227CC..BIsolated β-bridgetrans-146.2109.9173.262.90000111.1S168 A176 M177 A191 L195S168-V171 PolarHBondContact OG-N 3.17Å; V171-A176 HydrophobicContact CG2-CB 3.71Å; V171-M177 HydrophobicContact CB-CG 4.29Å; V171-M177 HydrophobicContact CG1-CE 4.13Å; V171-M177 HydrophobicContact CG1-CG 3.83Å; V171-M177 HydrophobicContact CG2-CB 4.26Å; V171-M177 HydrophobicContact CG2-CG 3.46Å; V171-M177 VanDerWaalsContact CG2-CG 3.46Å; V171-A191 HydrophobicContact CB-CB 3.77Å; V171-A191 HydrophobicContact CG1-CB 3.51Å; V171-L195 HydrophobicContact CG1-CD1 4.24Å; V171-L195 HydrophobicContact CG1-CG 4.44Å
172R95.1Very high97.9Very high170 Ų17040.3 Ų40.364%0.64223%0.228SC*.  trans-95.5-27.1-171.8-64-175.9-178.6178-2.1114.4F225 N229R172-F225 VanDerWaalsContact O-CD2 3.27Å; R172-F225 WeakPolarHBondContact O-CD2 3.33Å; R172-F225 WeakPolarHBondContact O-CE2 3.27Å; R172-N229 PolarHBondContact O-ND2 3.1Å
173T98.1Very high97.8Very high55 Ų5544.3 Ų44.334%0.33725%0.245SC..  trans-111.8142-177.668.40000111.3S175 A176 M177 N229T173-S175 PolarHBondContact O-N 3.27Å; T173-A176 WeakPolarHBondContact O-CB 3.08Å; T173-A176 PolarHBondContact O-N 3.44Å; T173-A176 VanDerWaalsContact OG1-CB 3.28Å; T173-A176 WeakPolarHBondContact OG1-CB 3.32Å; T173-A176 PolarHBondContact OG1-N 3.4Å; T173-M177 WeakPolarHBondContact O-CG 3.21Å; T173-M177 PolarHBondContact O-N 3.31Å; T173-N229 WeakPolarHBondContact CA-OD1 3.39Å
174I98.2Very high97.8Very high24 Ų2446.1 Ų46.112%0.12326%0.257CS..Hα-helixtrans-59.3-36175.3-67.8171.2000110.5V42 V155 F161 A176 M177 N178 F225 N229 I231V42-I174 HydrophobicContact CB-CG2 4.35Å; V42-I174 HydrophobicContact CG1-CG2 3.85Å; V42-I174 HydrophobicContact CG2-CG2 4.34Å; V155-I174 HydrophobicContact CG2-CD1 3.81Å; V155-I174 HydrophobicContact CG2-CG2 3.94Å; F161-I174 HydrophobicContact CB-CD1 4.48Å; F161-I174 HydrophobicContact CD2-CD1 3.72Å; F161-I174 HydrophobicContact CD2-CG1 3.93Å; F161-I174 HydrophobicContact CE2-CD1 4.36Å; F161-I174 HydrophobicContact CE2-CG1 4.06Å; F161-I174 HydrophobicContact CG-CD1 4.35Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3.32Å; I174-M177 HydrophobicContact CG1-SD 4.44Å; I174-M177 WeakPolarHBondContact O-CB 3.45Å; I174-M177 PolarHBondContact O-N 3.5Å; I174-N178 PolarHBondContact O-N 3.48Å; I174-F225 HydrophobicContact CD1-CZ 4.34Å; I174-F225 HydrophobicContact CG1-CZ 4Å; I174-N229 HydrophobicContact CD1-CB 3.92Å; I174-N229 HydrophobicContact CG1-CB 4.29Å; I174-N229 PolarHBondContact N-OD1 3.18Å; I174-I231 HydrophobicContact CD1-CD1 3.82Å; I174-I231 HydrophobicContact CD1-CG1 3.69Å
175S96.7Very high97.7Very high94 Ų9448.5 Ų48.566%0.65727%0.268SS*.Hα-helixtrans-60.3-39.6173.5-173.40000112.4T173T173-S175 PolarHBondContact O-N 3.27Å
176A98Very high97.6Very high42 Ų4249.2 Ų49.235%0.34727%0.272SS..Hα-helixtrans-72-36.4175.800000111.5V171 T173 I174 N178 S179V171-A176 HydrophobicContact CG2-CB 3.71Å; T173-A176 WeakPolarHBondContact O-CB 3.08Å; T173-A176 PolarHBondContact O-N 3.44Å; T173-A176 VanDerWaalsContact OG1-CB 3.28Å; T173-A176 WeakPolarHBondContact OG1-CB 3.32Å; T173-A176 PolarHBondContact OG1-N 3.4Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3.32Å; A176-N178 PolarHBondContact O-N 2.94Å; A176-S179 WeakPolarHBondContact O-CB 3.47Å; A176-S179 PolarHBondContact O-N 3.19Å
177M98.4Very high97.6Very high2 Ų251.7 Ų51.71%0.0129%0.288CS..Hα-helixtrans-58.4-38.1173.7-63.9175.8-171.800111.9V42 F161 V171 T173 I174 S179 L180 L195 F225V42-M177 HydrophobicContact CG2-CB 3.85Å; F161-M177 HydrophobicContact CE2-SD 3.76Å; F161-M177 HydrophobicContact CZ-CE 4.05Å; F161-M177 HydrophobicContact CZ-SD 3.6Å; F161-M177 VanDerWaalsContact CZ-SD 3.6Å; V171-M177 HydrophobicContact CB-CG 4.29Å; V171-M177 HydrophobicContact CG1-CE 4.13Å; V171-M177 HydrophobicContact CG1-CG 3.83Å; V171-M177 HydrophobicContact CG2-CB 4.26Å; V171-M177 HydrophobicContact CG2-CG 3.46Å; V171-M177 VanDerWaalsContact CG2-CG 3.46Å; T173-M177 WeakPolarHBondContact O-CG 3.21Å; T173-M177 PolarHBondContact O-N 3.31Å; I174-M177 HydrophobicContact CG1-SD 4.44Å; I174-M177 WeakPolarHBondContact O-CB 3.45Å; I174-M177 PolarHBondContact O-N 3.5Å; M177-S179 PolarHBondContact O-N 3.08Å; M177-S179 VanDerWaalsContact O-N 3.13Å; M177-L180 HydrophobicContact CB-CD1 4.49Å; M177-L180 WeakPolarHBondContact O-CB 3.39Å; M177-L180 WeakPolarHBondContact O-CG 3.17Å; M177-L180 PolarHBondContact O-N 2.9Å; M177-L180 VanDerWaalsContact O-N 3.08Å; M177-L195 HydrophobicContact CE-CD2 3.83Å; M177-L195 HydrophobicContact CG-CD1 4.26Å; M177-L195 HydrophobicContact SD-CD1 4.36Å; M177-L195 HydrophobicContact SD-CD2 3.95Å; M177-F225 HydrophobicContact CE-CD2 4.44Å; M177-F225 HydrophobicContact CE-CE2 3.4Å; M177-F225 HydrophobicContact CE-CZ 3.84Å
178N97Very high97.4Very high55 Ų5559.9 Ų59.929%0.29433%0.326SS..THydrogen-bonded Turntrans-65.9-15178.5-15745.7000113.6T41 V42 I174 A176T41-N178 PolarHBondContact N-OD1 3.31Å; T41-N178 VanDerWaalsContact N-OD1 3.11Å; V42-N178 HydrophobicContact CG2-CB 4.24Å; V42-N178 PolarHBondContact N-OD1 2.89Å; I174-N178 PolarHBondContact O-N 3.48Å; A176-N178 PolarHBondContact O-N 2.94Å
179S97.3Very high97.3Very high105 Ų10565.2 Ų65.273%0.73436%0.359SS*.THydrogen-bonded Turntrans-93.8-0.1176.5-53.90000113.5A176 M177A176-S179 WeakPolarHBondContact O-CB 3.47Å; A176-S179 PolarHBondContact O-N 3.19Å; M177-S179 PolarHBondContact O-N 3.08Å; M177-S179 VanDerWaalsContact O-N 3.13Å
180L97.8Very high97.3Very high41 Ų4164.7 Ų64.722%0.21536%0.359CS..SBendtrans-68.2138.3174.3-64.5173.9000110.3I152 M177 R182 A191 L195I152-L180 HydrophobicContact CD1-CB 4.49Å; I152-L180 HydrophobicContact CD1-CD1 4.5Å; M177-L180 HydrophobicContact CB-CD1 4.49Å; M177-L180 WeakPolarHBondContact O-CB 3.39Å; M177-L180 WeakPolarHBondContact O-CG 3.17Å; M177-L180 PolarHBondContact O-N 2.9Å; M177-L180 VanDerWaalsContact O-N 3.08Å; L180-R182 PolarHBondContact O-N 2.74Å; L180-R182 VanDerWaalsContact O-N 3.07Å; L180-A191 HydrophobicContact CD1-CB 4.15Å; L180-A191 HydrophobicContact CD2-CB 3.78Å; L180-L195 HydrophobicContact CD1-CD1 3.76Å
181D97.2Very high97.3Very high109 Ų10960.9 Ų60.958%0.58334%0.341SS*.  trans-73.597.9168.6-17813.4000109.7F183 C184D181-F183 PolarHBondContact OD1-N 3.06Å; D181-F183 VanDerWaalsContact OD1-N 3.1Å; D181-C184 PolarHBondContact O-SG 3.09Å
182R97.5Very high97.3Very high7 Ų761 Ų613%0.02634%0.341CS..  trans-79-18.8178.576.1176.8-168.2-107.96.3113.5F36 E39 E40 T41 R112 H148 Y149 M150 I152 L180 C184F36-R182 PolarHBondContact O-NH2 2.89Å; E39-R182 VanDerWaalsContact O-CZ 3.27Å; E39-R182 PolarHBondContact O-NH1 3.34Å; E39-R182 PolarHBondContact O-NH2 3.03Å; E40-R182 PolarHBondContact O-NH1 3.45Å; T41-R182 VanDerWaalsContact CA-NH1 3.25Å; T41-R182 HydrophobicContact CG2-CB 4.15Å; T41-R182 WeakPolarHBondContact OG1-CD 3.1Å; T41-R182 PolarHBondContact OG1-NH1 3.13Å; T41-R182 VanDerWaalsContact OG1-NH1 3.07Å; R112-R182 PolarHBondContact NH1-O 3.24Å; H148-R182 CarbonylContact O-C 3.41Å; Y149-R182 PolarHBondContact O-NE 2.98Å; Y149-R182 PolarHBondContact O-NH2 3.31Å; M150-R182 WeakPolarHBondContact O-CD 3.38Å; I152-R182 HydrophobicContact CD1-CB 3.69Å; I152-R182 HydrophobicContact CG1-CB 3.97Å; L180-R182 PolarHBondContact O-N 2.74Å; L180-R182 VanDerWaalsContact O-N 3.07Å; R182-C184 PolarHBondContact O-N 2.83Å
183F97.8Very high97.5Very high84 Ų8452.9 Ų52.937%0.36831%0.31SS..SBendtrans-80.143.6-172-56.1-71.6000112.8L37 H148 Y149 D181L37-F183 HydrophobicContact CD1-CE1 4.34Å; L37-F183 HydrophobicContact CD1-CZ 4.36Å; H148-F183 VanDerWaalsContact O-CA 3.32Å; H148-F183 WeakPolarHBondContact O-CA 3.42Å; Y149-F183 AromaticContact CD1-CD1 3.64Å; Y149-F183 HydrophobicContact CD1-CD1 3.64Å; Y149-F183 AromaticContact CD1-CE1 3.52Å; Y149-F183 HydrophobicContact CD1-CE1 3.52Å; Y149-F183 AromaticContact CE1-CD1 3.85Å; Y149-F183 HydrophobicContact CE1-CD1 3.85Å; Y149-F183 HydrophobicContact CE1-CE1 4.01Å; Y149-F183 HydrophobicContact CG-CD1 4.13Å; Y149-F183 HydrophobicContact CG-CE1 4.21Å; D181-F183 PolarHBondContact OD1-N 3.06Å; D181-F183 VanDerWaalsContact OD1-N 3.1Å
184C97.4Very high97.5Very high37 Ų3750.4 Ų50.425%0.2530%0.295CS..SBendtrans-139.5169.9-179.264.80000111.2R112 H148 D181 R182R112-C184 PolarHBondContact NH1-O 3.28Å; R112-C184 PolarHBondContact NH2-O 2.91Å; H148-C184 PolarHBondContact CD2-O 3.03Å; D181-C184 PolarHBondContact O-SG 3.09Å; R182-C184 PolarHBondContact O-N 2.83Å
185E97.5Very high97.5Very high50 Ų5049.3 Ų49.323%0.23429%0.289CS..PPolyproline II helixtrans-62.9145.7164.8-172.664.5-174.800109.7C117 R118 T119 H148 P187C117-E185 VanDerWaalsContact CB-OE1 3.27Å; C117-E185 WeakPolarHBondContact CB-OE1 3.43Å; R118-E185 WeakPolarHBondContact CA-OE1 3.34Å; R118-E185 WeakPolarHBondContact CB-OE1 3.28Å; R118-E185 PolarHBondContact N-OE1 2.98Å; T119-E185 PolarHBondContact N-OE1 3.44Å; H148-E185 IonicContact CD2-OE2 3.52Å; H148-E185 IonicContact NE2-OE2 3.23Å; H148-E185 PolarHBondContact NE2-OE2 2.97Å; E185-P187 WeakPolarHBondContact O-CD 3.14Å; E185-P187 VanDerWaalsContact O-N 3.11Å
186I97.9Very high97.6Very high16 Ų1644.8 Ų44.88%0.08226%0.258CS..PPolyproline II helixtrans-58.1119.1177.5-59.3178.1000108.4G113 C117 F192 V196G113-I186 WeakPolarHBondContact O-CD1 3.42Å; C117-I186 HydrophobicContact CB-CB 4.2Å; C117-I186 HydrophobicContact CB-CD1 3.63Å; C117-I186 HydrophobicContact CB-CG1 3.81Å; I186-F192 HydrophobicContact CG1-CE2 4.38Å; I186-F192 HydrophobicContact CG1-CZ 4.02Å; I186-V196 HydrophobicContact CD1-CG2 4.1Å; I186-V196 HydrophobicContact CG2-CG2 3.72Å
187P96.9Very high97.7Very high51 Ų5145 Ų4533%0.33125%0.25SC..PPolyproline II helixtrans-63.1160.6178.2-22.734.6000111.6E185 T189 F192 A193E185-P187 WeakPolarHBondContact O-CD 3.14Å; E185-P187 VanDerWaalsContact O-N 3.11Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-F192 HydrophobicContact CG-CB 4.47Å; P187-F192 HydrophobicContact CG-CD1 4.32Å; P187-A193 WeakPolarHBondContact O-CB 3.45Å
188Q94.3Very high97.7Very high174 Ų17444.9 Ų44.981%0.81325%0.249SC*.SBendtrans-71-29.4174-68.2-178-6.400112.6
189T96.6Very high97.8Very high116 Ų11642.7 Ų42.771%0.71224%0.237SC*.SBendtrans-144.3160.5-176.760.50000111.5P187P187-T189 VanDerWaalsContact C-N 3.32Å
190G97.3Very high97.8Very high22 Ų2237.9 Ų37.923%0.22720%0.204CC..SBendtrans100.8-179.6173.300000112.5F192 A193 D194G190-F192 VanDerWaalsContact C-N 3.31Å; G190-F192 PolarHBondContact O-N 3Å; G190-F192 VanDerWaalsContact O-N 3.1Å; G190-A193 WeakPolarHBondContact O-CB 3.24Å; G190-A193 PolarHBondContact O-N 3.47Å; G190-D194 PolarHBondContact O-N 3.15Å
191A98.3Very high97.8Very high15 Ų1540.3 Ų40.312%0.12421%0.214CC..Hα-helixtrans-46-48.7-16900000114.7N170 V171 L180 D194 L195N170-A191 HydrophobicContact CB-CB 4.05Å; V171-A191 HydrophobicContact CB-CB 3.77Å; V171-A191 HydrophobicContact CG1-CB 3.51Å; L180-A191 HydrophobicContact CD1-CB 4.15Å; L180-A191 HydrophobicContact CD2-CB 3.78Å; A191-D194 PolarHBondContact O-N 3.35Å; A191-L195 VanDerWaalsContact O-CG 3.26Å; A191-L195 WeakPolarHBondContact O-CG 3.23Å; A191-L195 PolarHBondContact O-N 3.42Å; A191-L195 VanDerWaalsContact O-N 3.14Å
192F98.4Very high97.8Very high11 Ų1142 Ų425%0.04822%0.219CC..Hα-helixtrans-66.6-46.4180-175.2-171.1000111.9I152 I186 P187 G190 D194 L195 V196I152-F192 HydrophobicContact CD1-CD1 4.32Å; I152-F192 HydrophobicContact CD1-CD2 3.51Å; I152-F192 HydrophobicContact CD1-CE1 4.35Å; I152-F192 HydrophobicContact CD1-CE2 3.6Å; I152-F192 HydrophobicContact CD1-CG 3.94Å; I152-F192 HydrophobicContact CD1-CZ 4.02Å; I152-F192 HydrophobicContact CG1-CD2 4.07Å; I152-F192 HydrophobicContact CG1-CE2 3.7Å; I152-F192 HydrophobicContact CG1-CZ 4.18Å; I152-F192 HydrophobicContact CG2-CD2 4.28Å; I152-F192 HydrophobicContact CG2-CE2 4.34Å; I186-F192 HydrophobicContact CG1-CE2 4.38Å; I186-F192 HydrophobicContact CG1-CZ 4.02Å; P187-F192 HydrophobicContact CG-CB 4.47Å; P187-F192 HydrophobicContact CG-CD1 4.32Å; G190-F192 VanDerWaalsContact C-N 3.31Å; G190-F192 PolarHBondContact O-N 3Å; G190-F192 VanDerWaalsContact O-N 3.1Å; F192-D194 VanDerWaalsContact C-N 3.28Å; F192-D194 PolarHBondContact O-N 3.34Å; F192-L195 PolarHBondContact O-N 2.86Å; F192-V196 HydrophobicContact CD2-CG1 4.45Å; F192-V196 HydrophobicContact CE2-CG1 4.14Å
193A98.4Very high97.8Very high0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-57.6-43.6176.200000111.3P187 G190 L195 V196 W197P187-A193 WeakPolarHBondContact O-CB 3.45Å; G190-A193 WeakPolarHBondContact O-CB 3.24Å; G190-A193 PolarHBondContact O-N 3.47Å; A193-L195 PolarHBondContact O-N 3.43Å; A193-V196 WeakPolarHBondContact O-CG2 3.2Å; A193-V196 PolarHBondContact O-N 2.84Å; A193-W197 WeakPolarHBondContact O-CB 3.2Å; A193-W197 VanDerWaalsContact O-CD1 3.25Å; A193-W197 PolarHBondContact O-N 3.01Å
194D98.8Very high97.5Very high3 Ų345.6 Ų45.62%0.01624%0.243CC..Hα-helixtrans-61.8-43.7-179.5-56.2-23.2000112.1S168 N170 G190 A191 F192 V196 W197 S198 W215S168-D194 VanDerWaalsContact CB-CB 3.48Å; S168-D194 WeakPolarHBondContact OG-CB 3.38Å; S168-D194 PolarHBondContact OG-OD2 3.19Å; N170-D194 PolarHBondContact ND2-OD2 2.8Å; G190-D194 PolarHBondContact O-N 3.15Å; A191-D194 PolarHBondContact O-N 3.35Å; F192-D194 VanDerWaalsContact C-N 3.28Å; F192-D194 PolarHBondContact O-N 3.34Å; D194-V196 PolarHBondContact O-N 3.4Å; D194-V196 VanDerWaalsContact O-N 3.13Å; D194-W197 PolarHBondContact O-N 3.32Å; D194-S198 WeakPolarHBondContact O-CB 3.36Å; D194-S198 PolarHBondContact O-N 3.19Å; D194-S198 PolarHBondContact O-OG 3.02Å; D194-W215 VanDerWaalsContact CG-CD1 3.46Å; D194-W215 VanDerWaalsContact OD1-CD1 3.26Å; D194-W215 PolarHBondContact OD1-NE1 3.33Å
195L98.9Very high97.4Very high1 Ų147.1 Ų47.11%0.00525%0.249CC..Hα-helixtrans-60.1-27.4-178.7-70.4169.1000113I152 F161 V163 A165 G166 V171 M177 L180 A191 F192 A193I152-L195 HydrophobicContact CG2-CB 4Å; I152-L195 HydrophobicContact CG2-CD1 3.73Å; I152-L195 HydrophobicContact CG2-CG 4.49Å; F161-L195 HydrophobicContact CZ-CD2 4.43Å; V163-L195 HydrophobicContact CG2-CB 4.17Å; V163-L195 HydrophobicContact CG2-CD2 4.3Å; V163-L195 VanDerWaalsContact CG2-O 3.26Å; V163-L195 WeakPolarHBondContact CG2-O 3.47Å; A165-L195 WeakPolarHBondContact CB-O 3.36Å; A165-L195 PolarHBondContact N-O 3.49Å; A165-L195 VanDerWaalsContact N-O 3.12Å; G166-L195 PolarHBondContact N-O 3.38Å; G166-L195 VanDerWaalsContact N-O 3.15Å; G166-L195 WeakPolarHBondContact O-CD2 3.12Å; V171-L195 HydrophobicContact CG1-CD1 4.24Å; V171-L195 HydrophobicContact CG1-CG 4.44Å; M177-L195 HydrophobicContact CE-CD2 3.83Å; M177-L195 HydrophobicContact CG-CD1 4.26Å; M177-L195 HydrophobicContact SD-CD1 4.36Å; M177-L195 HydrophobicContact SD-CD2 3.95Å; L180-L195 HydrophobicContact CD1-CD1 3.76Å; A191-L195 VanDerWaalsContact O-CG 3.26Å; A191-L195 WeakPolarHBondContact O-CG 3.23Å; A191-L195 PolarHBondContact O-N 3.42Å; A191-L195 VanDerWaalsContact O-N 3.14Å; F192-L195 PolarHBondContact O-N 2.86Å; A193-L195 PolarHBondContact O-N 3.43Å
196V98.7Very high97.5Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-107.2-3.3-178.4-56.80000114R112 N114 A165 I186 F192 A193 D194R112-V196 WeakPolarHBondContact O-CG1 3.48Å; N114-V196 HydrophobicContact CB-CB 4.29Å; N114-V196 HydrophobicContact CB-CG2 4.31Å; N114-V196 WeakPolarHBondContact CB-O 3.27Å; A165-V196 VanDerWaalsContact CB-O 3.32Å; A165-V196 WeakPolarHBondContact CB-O 3.44Å; I186-V196 HydrophobicContact CD1-CG2 4.1Å; I186-V196 HydrophobicContact CG2-CG2 3.72Å; F192-V196 HydrophobicContact CD2-CG1 4.45Å; F192-V196 HydrophobicContact CE2-CG1 4.14Å; A193-V196 WeakPolarHBondContact O-CG2 3.2Å; A193-V196 PolarHBondContact O-N 2.84Å; D194-V196 PolarHBondContact O-N 3.4Å; D194-V196 VanDerWaalsContact O-N 3.13Å
197W98.7Very high97.5Very high46 Ų4650.6 Ų50.617%0.17426%0.264CS..Hα-helixtrans-126.8-15.1179.1-73.6106.3000115.9N114 V120 A165 A193 D194 R211 A213 H238N114-W197 HydrophobicContact CB-CD2 3.89Å; N114-W197 HydrophobicContact CB-CE3 4.35Å; N114-W197 HydrophobicContact CB-CG 4.42Å; N114-W197 HydrophobicContact CB-CH2 4.23Å; N114-W197 HydrophobicContact CB-CZ2 3.7Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.38Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.36Å; N114-W197 WeakPolarHBondContact ND2-CZ3 3.43Å; V120-W197 HydrophobicContact CG2-CH2 4.06Å; V120-W197 HydrophobicContact CG2-CZ2 3.68Å; A165-W197 VanDerWaalsContact CB-N 3.33Å; A193-W197 WeakPolarHBondContact O-CB 3.2Å; A193-W197 VanDerWaalsContact O-CD1 3.25Å; A193-W197 PolarHBondContact O-N 3.01Å; D194-W197 PolarHBondContact O-N 3.32Å; W197-R211 HydrophobicContact CE3-CB 4.34Å; W197-A213 HydrophobicContact CB-CB 4.05Å; W197-A213 HydrophobicContact CD2-CB 4.04Å; W197-A213 HydrophobicContact CG-CB 3.75Å; W197-H238 AromaticContact CE3-CE1 3.89Å
198S98.8Very high97.5Very high0 Ų056.3 Ų56.30%029%0.286CS..  trans-72.7146.3-176.7-69.70000113.4A165 G166 I167 D194 W215 R236A165-S198 CarbonylContact C-O 3.53Å; A165-S198 VanDerWaalsContact C-O 3.25Å; A165-S198 VanDerWaalsContact CB-O 3.25Å; A165-S198 WeakPolarHBondContact CB-O 3.46Å; G166-S198 PolarHBondContact N-O 2.79Å; I167-S198 WeakPolarHBondContact O-CB 3.27Å; I167-S198 PolarHBondContact O-OG 2.82Å; I167-S198 VanDerWaalsContact O-OG 3.08Å; D194-S198 WeakPolarHBondContact O-CB 3.36Å; D194-S198 PolarHBondContact O-N 3.19Å; D194-S198 PolarHBondContact O-OG 3.02Å; S198-W215 CarbonylContact C-O 3.5Å; S198-W215 WeakPolarHBondContact CA-O 3.15Å; S198-W215 WeakPolarHBondContact CB-O 3.13Å; S198-W215 PolarHBondContact OG-N 3Å; S198-W215 PolarHBondContact OG-O 3.01Å; S198-R236 PolarHBondContact O-NH2 3.46Å
199D98.8Very high97.6Very high8 Ų848.6 Ų48.64%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-126.1140.4-179.1-82.9-33.5000113R211 W215 L216 F217 R236 H238 Q239D199-R211 IonicContact OD1-NH2 2.72Å; D199-R211 PolarHBondContact OD1-NH2 2.82Å; D199-R211 IonicContact OD2-CZ 2.83Å; D199-R211 IonicContact OD2-NE 3.22Å; D199-R211 PolarHBondContact OD2-NE 3.01Å; D199-R211 IonicContact OD2-NH2 2.85Å; D199-R211 PolarHBondContact OD2-NH2 2.62Å; D199-W215 PolarHBondContact N-O 3.06Å; D199-L216 HydrophobicContact CB-CD2 4.03Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.41Å; D199-F217 VanDerWaalsContact C-CD1 3.44Å; D199-F217 WeakPolarHBondContact O-CD1 3.2Å; D199-F217 PolarHBondContact O-N 3.47Å; D199-R236 IonicContact OD1-CZ 3.8Å; D199-R236 IonicContact OD1-NH1 3.63Å; D199-R236 PolarHBondContact OD1-NH1 3.32Å; D199-R236 IonicContact OD1-NH2 3.53Å; D199-R236 PolarHBondContact OD1-NH2 3.09Å; D199-H238 IonicContact OD1-CD2 3.18Å; D199-H238 PolarHBondContact OD1-CD2 2.89Å; D199-Q239 VanDerWaalsContact CG-CD 3.45Å; D199-Q239 VanDerWaalsContact CG-NE2 3.28Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.39Å; D199-Q239 PolarHBondContact OD2-NE2 2.86Å
200P98.6Very high97.6Very high5 Ų548.8 Ų48.83%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-70.3138.1168.929.9-33.9000110.8F217 L248 W249 L253P200-F217 VanDerWaalsContact CA-O 3.31Å; P200-F217 WeakPolarHBondContact CA-O 3.08Å; P200-F217 HydrophobicContact CB-CD2 4.47Å; P200-F217 HydrophobicContact CB-CE1 4.26Å; P200-F217 HydrophobicContact CB-CE2 3.84Å; P200-F217 HydrophobicContact CB-CZ 3.72Å; P200-F217 HydrophobicContact CG-CZ 4.19Å; P200-F217 VanDerWaalsContact N-CE1 3.29Å; P200-L248 HydrophobicContact CB-CD1 3.75Å; P200-L248 HydrophobicContact CG-CD1 3.96Å; P200-W249 HydrophobicContact CB-CH2 3.59Å; P200-W249 HydrophobicContact CB-CZ2 4.21Å; P200-W249 HydrophobicContact CB-CZ3 4.27Å; P200-L253 HydrophobicContact CB-CD1 4.02Å; P200-L253 HydrophobicContact CG-CD1 4.15Å; P200-L253 HydrophobicContact CG-CD2 4.16Å
201E97.7Very high97.5Very high92 Ų9252.4 Ų52.443%0.4326%0.262SS..  trans-153.3166.9176.6-167.948.2-92.100110.9V203 L216 F217 G218E201-V203 HydrophobicContact CB-CG1 4.4Å; E201-V203 HydrophobicContact CG-CG1 4.42Å; E201-V203 PolarHBondContact O-N 3.33Å; E201-L216 HydrophobicContact CB-CB 4.25Å; E201-L216 HydrophobicContact CB-CD1 4.38Å; E201-L216 HydrophobicContact CB-CD2 4.26Å; E201-L216 HydrophobicContact CG-CD1 4.31Å; E201-F217 PolarHBondContact N-O 3.23Å; E201-G218 WeakPolarHBondContact O-CA 3.44Å
202E96.1Very high97.3Very high145 Ų14555.2 Ų55.268%0.67829%0.292SS*.SBendtrans-75.564.3174.7-65-60.814700112.3
203V97.7Very high97.2Very high21 Ų2155.6 Ų55.613%0.12730%0.297CS..  trans-113.6165.5173.2-59.80000111E201 E207 L216 G218E201-V203 HydrophobicContact CB-CG1 4.4Å; E201-V203 HydrophobicContact CG-CG1 4.42Å; E201-V203 PolarHBondContact O-N 3.33Å; V203-E207 HydrophobicContact CB-CG 4.02Å; V203-E207 HydrophobicContact CG1-CB 4.19Å; V203-E207 VanDerWaalsContact CG1-CD 3.49Å; V203-E207 HydrophobicContact CG1-CG 4.03Å; V203-L216 HydrophobicContact CG1-CB 4.35Å; V203-L216 HydrophobicContact CG1-CD1 4.48Å; V203-L216 HydrophobicContact CG2-CB 4.36Å; V203-G218 VanDerWaalsContact CG2-N 3.31Å; V203-G218 VanDerWaalsContact O-CA 3.25Å; V203-G218 WeakPolarHBondContact O-CA 3.37Å
204N91.8Very high97.1Very high145 Ų14556.2 Ų56.278%0.77530%0.303SS*.SBendtrans-74-44.1-177-72.3-48.1000113.3
205D96Very high97.1Very high69 Ų6959.7 Ų59.737%0.36932%0.316SS..SBendtrans-140.2-100.1-178.6-173.219000110.1F217 G218 A221 R224D205-F217 CarbonylContact O-C 3.59Å; D205-F217 VanDerWaalsContact O-CA 3.29Å; D205-F217 WeakPolarHBondContact O-CA 3.49Å; D205-G218 PolarHBondContact O-N 2.91Å; D205-A221 VanDerWaalsContact OD1-CB 3.29Å; D205-A221 WeakPolarHBondContact OD1-CB 3.42Å; D205-R224 IonicContact OD1-CZ 3.36Å; D205-R224 IonicContact OD1-NH2 3.83Å; D205-R224 PolarHBondContact OD1-NH2 2.82Å; D205-R224 IonicContact OD2-NH2 3.04Å; D205-R224 PolarHBondContact OD2-NH2 3.25Å
206F98.4Very high97.1Very high46 Ų4660.9 Ų60.920%0.20232%0.322CS..EExtended strand (participates in β ladder)trans-118.9138.8171.8-70.4-86.5000110I167 P169 W215 L216 F217 A221I167-F206 HydrophobicContact CD1-CE1 4.33Å; I167-F206 HydrophobicContact CD1-CZ 3.89Å; I167-F206 HydrophobicContact CG1-CE1 3.97Å; I167-F206 HydrophobicContact CG1-CZ 3.94Å; P169-F206 HydrophobicContact CB-CD1 4.33Å; P169-F206 HydrophobicContact CB-CD2 3.84Å; P169-F206 HydrophobicContact CB-CE1 4.43Å; P169-F206 HydrophobicContact CB-CE2 3.97Å; P169-F206 HydrophobicContact CB-CG 4.03Å; P169-F206 HydrophobicContact CB-CZ 4.26Å; P169-F206 HydrophobicContact CG-CD1 4.15Å; P169-F206 HydrophobicContact CG-CE1 4.4Å; P169-F206 HydrophobicContact CG-CG 4.19Å; F206-W215 HydrophobicContact CB-CD2 4.44Å; F206-W215 HydrophobicContact CB-CE3 3.97Å; F206-W215 HydrophobicContact CD1-CB 3.79Å; F206-W215 HydrophobicContact CD1-CG 4.21Å; F206-L216 CarbonylContact C-O 3.57Å; F206-L216 VanDerWaalsContact CA-O 3.25Å; F206-L216 WeakPolarHBondContact CA-O 3.46Å; F206-F217 HydrophobicContact CD1-CB 3.64Å; F206-F217 HydrophobicContact CE1-CB 3.55Å; F206-F217 HydrophobicContact CE1-CG 4.43Å; F206-F217 HydrophobicContact CG-CB 4.5Å; F206-F217 HydrophobicContact CZ-CB 4.33Å; F206-A221 HydrophobicContact CD2-CB 4.05Å; F206-A221 HydrophobicContact CE1-CB 4.41Å; F206-A221 HydrophobicContact CE2-CB 3.59Å; F206-A221 HydrophobicContact CZ-CB 3.81Å
207E98.4Very high97.1Very high93 Ų9360.9 Ų60.944%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-134.5159.7174.4-68.3-174-161.300110.8V203 S209 W215 L216V203-E207 HydrophobicContact CB-CG 4.02Å; V203-E207 HydrophobicContact CG1-CB 4.19Å; V203-E207 VanDerWaalsContact CG1-CD 3.49Å; V203-E207 HydrophobicContact CG1-CG 4.03Å; E207-S209 PolarHBondContact O-N 3.42Å; E207-W215 WeakPolarHBondContact O-CA 3.5Å; E207-L216 HydrophobicContact CB-CB 4.33Å; E207-L216 PolarHBondContact N-O 3.27Å; E207-L216 PolarHBondContact O-N 2.55Å
208E96.5Very high97.1Very high170 Ų17058.7 Ų58.779%0.79431%0.314SS*.EExtended strand (participates in β ladder)trans-60.8133.1-179.7-70-175.9173.100111.3
209S97.6Very high97.1Very high13 Ų1362.9 Ų62.99%0.09133%0.33CS..  trans-79.5134.1179.2179.90000111.7E207 R211 G212 A213 G214E207-S209 PolarHBondContact O-N 3.42Å; S209-R211 PolarHBondContact O-N 3.18Å; S209-R211 WeakPolarHBondContact OG-CB 3.33Å; S209-R211 WeakPolarHBondContact OG-CG 3.37Å; S209-R211 PolarHBondContact OG-N 3.4Å; S209-G212 PolarHBondContact O-N 3.23Å; S209-G212 VanDerWaalsContact O-N 3.12Å; S209-A213 VanDerWaalsContact CB-O 3.31Å; S209-A213 WeakPolarHBondContact CB-O 3.13Å; S209-A213 PolarHBondContact OG-O 3.18Å; S209-G214 WeakPolarHBondContact CB-O 3.43Å
210P96.5Very high97.1Very high120 Ų12063.5 Ų63.578%0.77934%0.338SS*.THydrogen-bonded Turntrans-65.7-8.3171.529.9-35.6000112.8G212P210-G212 PolarHBondContact O-N 2.98Å
211R94.1Very high97.1Very high98 Ų9863.5 Ų63.537%0.3734%0.338SS..THydrogen-bonded Turntrans-70.5-16.1173.1-60.7-173.5-179.3-109.110.6113.2W197 D199 S209 A213 H238W197-R211 HydrophobicContact CE3-CB 4.34Å; D199-R211 IonicContact OD1-NH2 2.72Å; D199-R211 PolarHBondContact OD1-NH2 2.82Å; D199-R211 IonicContact OD2-CZ 2.83Å; D199-R211 IonicContact OD2-NE 3.22Å; D199-R211 PolarHBondContact OD2-NE 3.01Å; D199-R211 IonicContact OD2-NH2 2.85Å; D199-R211 PolarHBondContact OD2-NH2 2.62Å; S209-R211 PolarHBondContact O-N 3.18Å; S209-R211 WeakPolarHBondContact OG-CB 3.33Å; S209-R211 WeakPolarHBondContact OG-CG 3.37Å; S209-R211 PolarHBondContact OG-N 3.4Å; R211-A213 PolarHBondContact O-N 3.28Å; R211-H238 PolarHBondContact NE-NE2 2.87Å; R211-H238 PolarHBondContact NH1-NE2 2.84Å; R211-H238 VanDerWaalsContact NH1-NE2 3.19Å; R211-H238 PolarHBondContact NH2-CD2 3.14Å; R211-H238 PolarHBondContact NH2-NE2 3.4Å; R211-H238 PolarHBondContact NH2-O 2.94Å
212G94.4Very high97.1Very high74 Ų7459.1 Ų59.176%0.76332%0.318SS*.SBendtrans76.44.2-172.500000114.1S209 P210S209-G212 PolarHBondContact O-N 3.23Å; S209-G212 VanDerWaalsContact O-N 3.12Å; P210-G212 PolarHBondContact O-N 2.98Å
213A96.1Very high97.2Very high19 Ų1955.4 Ų55.416%0.15730%0.301CS..SBendtrans-148.7153.7172.800000109.4W197 S209 R211W197-A213 HydrophobicContact CB-CB 4.05Å; W197-A213 HydrophobicContact CD2-CB 4.04Å; W197-A213 HydrophobicContact CG-CB 3.75Å; S209-A213 VanDerWaalsContact CB-O 3.31Å; S209-A213 WeakPolarHBondContact CB-O 3.13Å; S209-A213 PolarHBondContact OG-O 3.18Å; R211-A213 PolarHBondContact O-N 3.28Å
214G97.5Very high97.2Very high12 Ų1259.7 Ų59.712%0.12431%0.314CS..SBendtrans63.9-164.1-174.200000113.4S209S209-G214 WeakPolarHBondContact CB-O 3.43Å
215W98.6Very high97.5Very high77 Ų7753.3 Ų53.329%0.29228%0.28SS..EExtended strand (participates in β ladder)trans-132.8150.9-172.9-61.880.5000111.6P169 D194 S198 D199 F206 E207P169-W215 VanDerWaalsContact CD-CD1 3.48Å; P169-W215 HydrophobicContact CG-CD2 3.89Å; P169-W215 HydrophobicContact CG-CG 4Å; P169-W215 HydrophobicContact CG-CZ2 4.19Å; D194-W215 VanDerWaalsContact CG-CD1 3.46Å; D194-W215 VanDerWaalsContact OD1-CD1 3.26Å; D194-W215 PolarHBondContact OD1-NE1 3.33Å; S198-W215 CarbonylContact C-O 3.5Å; S198-W215 WeakPolarHBondContact CA-O 3.15Å; S198-W215 WeakPolarHBondContact CB-O 3.13Å; S198-W215 PolarHBondContact OG-N 3Å; S198-W215 PolarHBondContact OG-O 3.01Å; D199-W215 PolarHBondContact N-O 3.06Å; F206-W215 HydrophobicContact CB-CD2 4.44Å; F206-W215 HydrophobicContact CB-CE3 3.97Å; F206-W215 HydrophobicContact CD1-CB 3.79Å; F206-W215 HydrophobicContact CD1-CG 4.21Å; E207-W215 WeakPolarHBondContact O-CA 3.5Å
216L98.8Very high97.6Very high25 Ų2550.6 Ų50.613%0.13127%0.265CS..EExtended strand (participates in β ladder)trans-74.8139.3153.9-58.7-177.5000108.2D199 E201 V203 F206 E207D199-L216 HydrophobicContact CB-CD2 4.03Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.41Å; E201-L216 HydrophobicContact CB-CB 4.25Å; E201-L216 HydrophobicContact CB-CD1 4.38Å; E201-L216 HydrophobicContact CB-CD2 4.26Å; E201-L216 HydrophobicContact CG-CD1 4.31Å; V203-L216 HydrophobicContact CG1-CB 4.35Å; V203-L216 HydrophobicContact CG1-CD1 4.48Å; V203-L216 HydrophobicContact CG2-CB 4.36Å; F206-L216 CarbonylContact C-O 3.57Å; F206-L216 VanDerWaalsContact CA-O 3.25Å; F206-L216 WeakPolarHBondContact CA-O 3.46Å; E207-L216 HydrophobicContact CB-CB 4.33Å; E207-L216 PolarHBondContact N-O 3.27Å; E207-L216 PolarHBondContact O-N 2.55Å
217F98.7Very high97.6Very high0 Ų055.9 Ų55.90%029%0.29CS..EExtended strand (participates in β ladder)trans-134141175.367.7-89.1000112.6I167 D199 P200 E201 D205 F206 A221 A222 W249 L253I167-F217 HydrophobicContact CD1-CB 4.39Å; I167-F217 HydrophobicContact CD1-CD2 3.73Å; I167-F217 HydrophobicContact CD1-CE2 4.21Å; I167-F217 HydrophobicContact CD1-CG 4.11Å; I167-F217 HydrophobicContact CG1-CB 4.15Å; I167-F217 HydrophobicContact CG1-CD1 4.01Å; I167-F217 HydrophobicContact CG1-CD2 3.6Å; I167-F217 HydrophobicContact CG1-CE1 4.3Å; I167-F217 HydrophobicContact CG1-CE2 3.91Å; I167-F217 HydrophobicContact CG1-CG 3.64Å; I167-F217 HydrophobicContact CG1-CZ 4.25Å; D199-F217 VanDerWaalsContact C-CD1 3.44Å; D199-F217 WeakPolarHBondContact O-CD1 3.2Å; D199-F217 PolarHBondContact O-N 3.47Å; P200-F217 VanDerWaalsContact CA-O 3.31Å; P200-F217 WeakPolarHBondContact CA-O 3.08Å; P200-F217 HydrophobicContact CB-CD2 4.47Å; P200-F217 HydrophobicContact CB-CE1 4.26Å; P200-F217 HydrophobicContact CB-CE2 3.84Å; P200-F217 HydrophobicContact CB-CZ 3.72Å; P200-F217 HydrophobicContact CG-CZ 4.19Å; P200-F217 VanDerWaalsContact N-CE1 3.29Å; E201-F217 PolarHBondContact N-O 3.23Å; D205-F217 CarbonylContact O-C 3.59Å; D205-F217 VanDerWaalsContact O-CA 3.29Å; D205-F217 WeakPolarHBondContact O-CA 3.49Å; F206-F217 HydrophobicContact CD1-CB 3.64Å; F206-F217 HydrophobicContact CE1-CB 3.55Å; F206-F217 HydrophobicContact CE1-CG 4.43Å; F206-F217 HydrophobicContact CG-CB 4.5Å; F206-F217 HydrophobicContact CZ-CB 4.33Å; F217-A221 HydrophobicContact CB-CB 4.15Å; F217-A222 HydrophobicContact CD2-CB 4.44Å; F217-A222 HydrophobicContact CE2-CB 4.47Å; F217-W249 HydrophobicContact CD2-CH2 4.01Å; F217-W249 HydrophobicContact CD2-CZ3 4.34Å; F217-W249 AromaticContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CH2 3.93Å; F217-W249 AromaticContact CE2-CZ3 3.99Å; F217-W249 HydrophobicContact CE2-CZ3 3.99Å; F217-L253 HydrophobicContact CE2-CD1 3.79Å; F217-L253 HydrophobicContact CZ-CD1 3.81Å
218G98.5Very high97.6Very high0 Ų056 Ų560%029%0.294CS..  trans-100.5178.2-174.600000114.4E201 V203 D205 G220 A221 A222E201-G218 WeakPolarHBondContact O-CA 3.44Å; V203-G218 VanDerWaalsContact CG2-N 3.31Å; V203-G218 VanDerWaalsContact O-CA 3.25Å; V203-G218 WeakPolarHBondContact O-CA 3.37Å; D205-G218 PolarHBondContact O-N 2.91Å; G218-G220 PolarHBondContact O-N 2.9Å; G218-A221 WeakPolarHBondContact O-CB 3.45Å; G218-A221 PolarHBondContact O-N 2.72Å; G218-A221 VanDerWaalsContact O-N 3.15Å; G218-A222 PolarHBondContact O-N 2.99Å
219R98.3Very high97.7Very high89 Ų8949.5 Ų49.534%0.33627%0.265SS..Hα-helixtrans-51.8-43.4176.3-177.5171.6179.6133.98.4112.5A222 E223 W249 D250R219-A222 PolarHBondContact O-N 3.21Å; R219-E223 HydrophobicContact CG-CG 4.2Å; R219-E223 IonicContact CZ-OE1 3.7Å; R219-E223 VanDerWaalsContact CZ-OE1 3.23Å; R219-E223 IonicContact NE-OE1 2.73Å; R219-E223 PolarHBondContact NE-OE1 2.93Å; R219-E223 IonicContact NE-OE2 3.96Å; R219-E223 IonicContact NH2-OE1 3.75Å; R219-E223 PolarHBondContact NH2-OE1 3.49Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 WeakPolarHBondContact O-CG 3.4Å; R219-E223 PolarHBondContact O-N 2.75Å; R219-W249 HydrophobicContact CB-CD2 3.95Å; R219-W249 HydrophobicContact CB-CG 3.86Å; R219-W249 HydrophobicContact CG-CB 4.02Å; R219-W249 HydrophobicContact CG-CD2 4.24Å; R219-W249 HydrophobicContact CG-CG 3.78Å; R219-D250 IonicContact CZ-OD2 2.58Å; R219-D250 VanDerWaalsContact CZ-OD2 3.22Å; R219-D250 IonicContact NH1-OD2 3.81Å; R219-D250 PolarHBondContact NH1-OD2 3.21Å; R219-D250 IonicContact NH2-OD2 3.23Å; R219-D250 PolarHBondContact NH2-OD2 3.43Å
220G97.9Very high97.7Very high21 Ų2151.7 Ų51.722%0.21629%0.29CS..Hα-helixtrans-63.5-42.2-178.600000113G218 R224G218-G220 PolarHBondContact O-N 2.9Å; G220-R224 WeakPolarHBondContact O-CG 3.2Å; G220-R224 PolarHBondContact O-N 2.95Å; G220-R224 PolarHBondContact O-NH1 2.69Å; G220-R224 VanDerWaalsContact O-NH1 3.14Å
221A98.4Very high97.8Very high4 Ų446.6 Ų46.63%0.03326%0.256CS..Hα-helixtrans-63.3-46.3175.100000111.2I167 D205 F206 F217 G218 R224 F225I167-A221 HydrophobicContact CD1-CB 3.93Å; D205-A221 VanDerWaalsContact OD1-CB 3.29Å; D205-A221 WeakPolarHBondContact OD1-CB 3.42Å; F206-A221 HydrophobicContact CD2-CB 4.05Å; F206-A221 HydrophobicContact CE1-CB 4.41Å; F206-A221 HydrophobicContact CE2-CB 3.59Å; F206-A221 HydrophobicContact CZ-CB 3.81Å; F217-A221 HydrophobicContact CB-CB 4.15Å; G218-A221 WeakPolarHBondContact O-CB 3.45Å; G218-A221 PolarHBondContact O-N 2.72Å; G218-A221 VanDerWaalsContact O-N 3.15Å; A221-R224 PolarHBondContact O-N 2.85Å; A221-F225 WeakPolarHBondContact O-CB 3.02Å; A221-F225 PolarHBondContact O-N 3.46Å
222A98.5Very high97.9Very high0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-64.5-46.6-179.700000112.5F217 G218 R219 R224 F225 L226 I234 W249F217-A222 HydrophobicContact CD2-CB 4.44Å; F217-A222 HydrophobicContact CE2-CB 4.47Å; G218-A222 PolarHBondContact O-N 2.99Å; R219-A222 PolarHBondContact O-N 3.21Å; A222-R224 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 3Å; A222-F225 PolarHBondContact O-N 2.99Å; A222-L226 VanDerWaalsContact O-CG 3.26Å; A222-L226 WeakPolarHBondContact O-CG 3.45Å; A222-L226 PolarHBondContact O-N 2.75Å; A222-I234 HydrophobicContact CB-CD1 4.15Å; A222-W249 HydrophobicContact CB-CE3 3.69Å; A222-W249 HydrophobicContact CB-CH2 4.21Å; A222-W249 HydrophobicContact CB-CZ3 3.34Å
223E98.1Very high98.1Very high68 Ų6842.1 Ų42.132%0.31823%0.227SC..Hα-helixtrans-62.1-40.2178.6-77.6179.4163.100112.1R219 L226 Q227 K252R219-E223 HydrophobicContact CG-CG 4.2Å; R219-E223 IonicContact CZ-OE1 3.7Å; R219-E223 VanDerWaalsContact CZ-OE1 3.23Å; R219-E223 IonicContact NE-OE1 2.73Å; R219-E223 PolarHBondContact NE-OE1 2.93Å; R219-E223 IonicContact NE-OE2 3.96Å; R219-E223 IonicContact NH2-OE1 3.75Å; R219-E223 PolarHBondContact NH2-OE1 3.49Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 WeakPolarHBondContact O-CG 3.4Å; R219-E223 PolarHBondContact O-N 2.75Å; E223-L226 PolarHBondContact O-N 2.78Å; E223-Q227 WeakPolarHBondContact O-CB 3.35Å; E223-Q227 PolarHBondContact O-N 3.21Å; E223-K252 HydrophobicContact CG-CD 3.58Å; E223-K252 VanDerWaalsContact OE1-CE 3.27Å; E223-K252 WeakPolarHBondContact OE1-CE 3.41Å; E223-K252 IonicContact OE1-NZ 3.63Å
224R97.9Very high98.2Very high111 Ų11141.2 Ų41.242%0.41922%0.22SC..Hα-helixtrans-63.5-45.5173-76.3-170.9-64.8-81.52.6112.1D205 G220 A221 A222 L226 Q227 D228D205-R224 IonicContact OD1-CZ 3.36Å; D205-R224 IonicContact OD1-NH2 3.83Å; D205-R224 PolarHBondContact OD1-NH2 2.82Å; D205-R224 IonicContact OD2-NH2 3.04Å; D205-R224 PolarHBondContact OD2-NH2 3.25Å; G220-R224 WeakPolarHBondContact O-CG 3.2Å; G220-R224 PolarHBondContact O-N 2.95Å; G220-R224 PolarHBondContact O-NH1 2.69Å; G220-R224 VanDerWaalsContact O-NH1 3.14Å; A221-R224 PolarHBondContact O-N 2.85Å; A222-R224 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 3Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.27Å; R224-Q227 PolarHBondContact O-N 3.36Å; R224-D228 WeakPolarHBondContact O-CB 3.33Å; R224-D228 VanDerWaalsContact O-CG 3.26Å; R224-D228 PolarHBondContact O-N 3.43Å
225F98.6Very high98.3Very high10 Ų1040.7 Ų40.74%0.04421%0.214CC..Hα-helixtrans-58.9-45.5177.5176.2-96.4000111.9F161 I167 R172 I174 M177 A221 A222 N229 I234F161-F225 HydrophobicContact CB-CE1 4.19Å; F161-F225 AromaticContact CD1-CE1 3.55Å; F161-F225 HydrophobicContact CD1-CE1 3.55Å; F161-F225 AromaticContact CD1-CZ 3.75Å; F161-F225 HydrophobicContact CD1-CZ 3.75Å; F161-F225 HydrophobicContact CD2-CZ 4.23Å; F161-F225 HydrophobicContact CE1-CE1 4.03Å; F161-F225 AromaticContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE2-CZ 4.29Å; F161-F225 AromaticContact CG-CE1 3.84Å; F161-F225 HydrophobicContact CG-CE1 3.84Å; F161-F225 AromaticContact CG-CZ 3.96Å; F161-F225 HydrophobicContact CG-CZ 3.96Å; F161-F225 HydrophobicContact CZ-CZ 4.1Å; I167-F225 HydrophobicContact CB-CG 4.47Å; I167-F225 HydrophobicContact CD1-CB 4.03Å; I167-F225 HydrophobicContact CG2-CB 4.36Å; I167-F225 HydrophobicContact CG2-CD1 3.72Å; I167-F225 HydrophobicContact CG2-CD2 4.02Å; I167-F225 HydrophobicContact CG2-CE1 3.97Å; I167-F225 HydrophobicContact CG2-CE2 4.27Å; I167-F225 HydrophobicContact CG2-CG 3.74Å; I167-F225 HydrophobicContact CG2-CZ 4.23Å; R172-F225 VanDerWaalsContact O-CD2 3.27Å; R172-F225 WeakPolarHBondContact O-CD2 3.33Å; R172-F225 WeakPolarHBondContact O-CE2 3.27Å; I174-F225 HydrophobicContact CD1-CZ 4.34Å; I174-F225 HydrophobicContact CG1-CZ 4Å; M177-F225 HydrophobicContact CE-CD2 4.44Å; M177-F225 HydrophobicContact CE-CE2 3.4Å; M177-F225 HydrophobicContact CE-CZ 3.84Å; A221-F225 WeakPolarHBondContact O-CB 3.02Å; A221-F225 PolarHBondContact O-N 3.46Å; A222-F225 PolarHBondContact O-N 2.99Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.48Å; F225-N229 VanDerWaalsContact CE2-ND2 3.31Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.31Å; F225-N229 WeakPolarHBondContact O-CB 3.46Å; F225-N229 PolarHBondContact O-N 3.39Å; F225-N229 PolarHBondContact O-ND2 3.46Å; F225-I234 HydrophobicContact CD1-CD1 3.99Å; F225-I234 HydrophobicContact CD1-CG1 4.12Å; F225-I234 HydrophobicContact CE1-CG1 4.26Å
226L98.6Very high98.3Very high12 Ų1237 Ų376%0.06320%0.2CC..Hα-helixtrans-60.1-47176.8-70.5173.3000111.3A222 E223 R224 N229 G230 I231 I234 K252A222-L226 VanDerWaalsContact O-CG 3.26Å; A222-L226 WeakPolarHBondContact O-CG 3.45Å; A222-L226 PolarHBondContact O-N 2.75Å; E223-L226 PolarHBondContact O-N 2.78Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.27Å; L226-N229 PolarHBondContact O-N 2.94Å; L226-G230 PolarHBondContact O-N 2.84Å; L226-I231 WeakPolarHBondContact CB-O 3.3Å; L226-I231 HydrophobicContact CD2-CB 3.84Å; L226-I231 HydrophobicContact CD2-CG2 3.5Å; L226-I231 WeakPolarHBondContact CD2-O 3.35Å; L226-I231 PolarHBondContact O-N 2.86Å; L226-I234 HydrophobicContact CD2-CG1 3.98Å; L226-K252 HydrophobicContact CD1-CB 3.61Å; L226-K252 HydrophobicContact CD1-CD 3.92Å; L226-K252 HydrophobicContact CD1-CG 3.79Å
227Q98.3Very high98.3Very high157 Ų15735.8 Ų35.873%0.73419%0.194SC*.Hα-helixtrans-62.7-49.2178.7-176.4178.47.900112.5E223 R224 N229 G230E223-Q227 WeakPolarHBondContact O-CB 3.35Å; E223-Q227 PolarHBondContact O-N 3.21Å; R224-Q227 PolarHBondContact O-N 3.36Å; Q227-N229 PolarHBondContact O-N 2.89Å; Q227-G230 PolarHBondContact O-N 3.28Å
228D98Very high98.3Very high95 Ų9536.3 Ų36.351%0.50820%0.196SC..Hα-helixtrans-63.5-25.4-176.5-74.1-12.4000112.5R224R224-D228 WeakPolarHBondContact O-CB 3.33Å; R224-D228 VanDerWaalsContact O-CG 3.26Å; R224-D228 PolarHBondContact O-N 3.43Å
229N98.5Very high98.3Very high35 Ų3538.6 Ų38.619%0.18721%0.207CC..Hα-helixtrans-108.6-4.2-176.5-67.5-78.8000114.4R172 T173 I174 F225 L226 Q227 I231R172-N229 PolarHBondContact O-ND2 3.1Å; T173-N229 WeakPolarHBondContact CA-OD1 3.39Å; I174-N229 HydrophobicContact CD1-CB 3.92Å; I174-N229 HydrophobicContact CG1-CB 4.29Å; I174-N229 PolarHBondContact N-OD1 3.18Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.48Å; F225-N229 VanDerWaalsContact CE2-ND2 3.31Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.31Å; F225-N229 WeakPolarHBondContact O-CB 3.46Å; F225-N229 PolarHBondContact O-N 3.39Å; F225-N229 PolarHBondContact O-ND2 3.46Å; L226-N229 PolarHBondContact O-N 2.94Å; Q227-N229 PolarHBondContact O-N 2.89Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CG1 3.71Å; N229-I231 PolarHBondContact O-N 3.48Å
230G97.7Very high98.3Very high59 Ų5936.7 Ų36.761%0.60821%0.205SC*.THydrogen-bonded Turntrans64.330.9-17500000113.5L226 Q227L226-G230 PolarHBondContact O-N 2.84Å; Q227-G230 PolarHBondContact O-N 3.28Å
231I97.6Very high98.3Very high13 Ų1336.3 Ų36.37%0.06720%0.199CC..  trans-98.1146.3-179.3-61.2-61.2000109V155 G158 S159 F161 I174 L226 N229 M233V155-I231 HydrophobicContact CG1-CD1 3.95Å; G158-I231 WeakPolarHBondContact O-CD1 3.05Å; S159-I231 WeakPolarHBondContact O-CG2 3.31Å; F161-I231 HydrophobicContact CB-CG1 4.39Å; F161-I231 HydrophobicContact CB-CG2 3.76Å; I174-I231 HydrophobicContact CD1-CD1 3.82Å; I174-I231 HydrophobicContact CD1-CG1 3.69Å; L226-I231 WeakPolarHBondContact CB-O 3.3Å; L226-I231 HydrophobicContact CD2-CB 3.84Å; L226-I231 HydrophobicContact CD2-CG2 3.5Å; L226-I231 WeakPolarHBondContact CD2-O 3.35Å; L226-I231 PolarHBondContact O-N 2.86Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CG1 3.71Å; N229-I231 PolarHBondContact O-N 3.48Å; I231-M233 VanDerWaalsContact CG2-O 3.29Å; I231-M233 WeakPolarHBondContact CG2-O 3.31Å
232S97.1Very high98.2Very high74 Ų7440.5 Ų40.552%0.51722%0.219SC..SBendtrans-95.8-32.7178.4-53.30000112.9S159S159-S232 PolarHBondContact O-N 2.86Å; S159-S232 WeakPolarHBondContact OG-CB 3.47Å; S159-S232 PolarHBondContact OG-OG 3.09Å
233M98.6Very high98.2Very high4 Ų446.3 Ų46.32%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-145.9139-176.3-171.8-173.7-59.100112.6S159 Y160 F161 I231 F247 N251 K252 V254 F273 Y281S159-M233 PolarHBondContact O-N 2.62Å; Y160-M233 WeakPolarHBondContact CA-O 3.39Å; Y160-M233 HydrophobicContact CD1-CB 3.91Å; Y160-M233 HydrophobicContact CD1-SD 4.25Å; Y160-M233 HydrophobicContact CE1-CB 4.29Å; Y160-M233 HydrophobicContact CE1-CE 4.21Å; Y160-M233 HydrophobicContact CE1-SD 4.34Å; F161-M233 PolarHBondContact N-O 3.29Å; I231-M233 VanDerWaalsContact CG2-O 3.29Å; I231-M233 WeakPolarHBondContact CG2-O 3.31Å; M233-F247 HydrophobicContact CE-CE1 4.03Å; M233-F247 HydrophobicContact SD-CE1 4.24Å; M233-N251 HydrophobicContact CE-CB 4.42Å; M233-N251 WeakPolarHBondContact CE-O 3.44Å; M233-K252 CarbonylContact C-O 3.43Å; M233-K252 WeakPolarHBondContact CA-O 3.47Å; M233-V254 HydrophobicContact CG-CG1 4.41Å; M233-V254 HydrophobicContact SD-CB 4.01Å; M233-V254 HydrophobicContact SD-CG1 3.53Å; M233-V254 VanDerWaalsContact SD-CG1 3.53Å; M233-F273 HydrophobicContact CE-CZ 4.33Å; M233-F273 HydrophobicContact SD-CE1 4.39Å; M233-F273 HydrophobicContact SD-CZ 3.93Å; M233-Y281 HydrophobicContact CE-CD1 4.08Å; M233-Y281 HydrophobicContact CE-CE1 3.4Å; M233-Y281 HydrophobicContact CE-CE2 4.12Å; M233-Y281 VanDerWaalsContact CE-CZ 3.42Å
234I98.9Very high98.2Very high0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-88.7122.2164-61.9161.7000108.5F161 I167 A222 F225 L226 R236 K252 L253 V254F161-I234 HydrophobicContact CD1-CG1 4.4Å; F161-I234 HydrophobicContact CD1-CG2 4.32Å; F161-I234 CarbonylContact O-C 3.51Å; F161-I234 WeakPolarHBondContact O-CA 3.3Å; I167-I234 HydrophobicContact CG2-CD1 3.9Å; A222-I234 HydrophobicContact CB-CD1 4.15Å; F225-I234 HydrophobicContact CD1-CD1 3.99Å; F225-I234 HydrophobicContact CD1-CG1 4.12Å; F225-I234 HydrophobicContact CE1-CG1 4.26Å; L226-I234 HydrophobicContact CD2-CG1 3.98Å; I234-R236 HydrophobicContact CG2-CB 4.37Å; I234-K252 PolarHBondContact N-O 3.05Å; I234-L253 HydrophobicContact CB-CB 4.28Å; I234-L253 HydrophobicContact CB-CD1 4.08Å; I234-L253 HydrophobicContact CB-CG 4.08Å; I234-L253 HydrophobicContact CD1-CD1 4.38Å; I234-L253 HydrophobicContact CG2-CD1 3.93Å; I234-L253 HydrophobicContact CG2-CG 4.19Å; I234-L253 CarbonylContact O-C 3.45Å; I234-L253 VanDerWaalsContact O-CA 3.25Å; I234-L253 WeakPolarHBondContact O-CA 3.31Å; I234-V254 PolarHBondContact O-N 3.04Å
235C98.9Very high98.2Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-107.5113.6174.5-58.40000108.9I51 F161 C162 V163 V254I51-C235 HydrophobicContact CD1-CB 3.97Å; I51-C235 HydrophobicContact CG2-CB 4.43Å; F161-C235 PolarHBondContact O-N 2.86Å; C162-C235 VanDerWaalsContact CA-O 3.32Å; C162-C235 WeakPolarHBondContact CA-O 3.32Å; V163-C235 PolarHBondContact N-O 2.91Å; V163-C235 VanDerWaalsContact N-O 3.09Å; C235-V254 HydrophobicContact CB-CG1 4.04Å
236R98.8Very high98.2Very high0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-136168-172.972.480.254151.422.7113.6V163 A165 S198 D199 I234 H238 Q239 L253 V254 T255 V256V163-R236 HydrophobicContact CG1-CB 4.18Å; V163-R236 VanDerWaalsContact O-CA 3.28Å; V163-R236 WeakPolarHBondContact O-CA 3.32Å; A165-R236 VanDerWaalsContact C-NH2 3.32Å; A165-R236 VanDerWaalsContact O-CB 3.28Å; A165-R236 WeakPolarHBondContact O-CB 3.3Å; A165-R236 WeakPolarHBondContact O-CG 3.38Å; A165-R236 PolarHBondContact O-NE 2.95Å; A165-R236 PolarHBondContact O-NH2 3.06Å; S198-R236 PolarHBondContact O-NH2 3.46Å; D199-R236 IonicContact OD1-CZ 3.8Å; D199-R236 IonicContact OD1-NH1 3.63Å; D199-R236 PolarHBondContact OD1-NH1 3.32Å; D199-R236 IonicContact OD1-NH2 3.53Å; D199-R236 PolarHBondContact OD1-NH2 3.09Å; I234-R236 HydrophobicContact CG2-CB 4.37Å; R236-H238 PolarHBondContact NH2-CD2 2.91Å; R236-Q239 VanDerWaalsContact NH1-CB 3.29Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.09Å; R236-L253 HydrophobicContact CG-CD1 4.28Å; R236-L253 HydrophobicContact CG-CD2 4.11Å; R236-L253 HydrophobicContact CG-CG 4.3Å; R236-V254 PolarHBondContact N-O 2.95Å; R236-T255 WeakPolarHBondContact CD-OG1 3.44Å; R236-T255 CarbonylContact O-C 3.54Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.37Å; R236-V256 PolarHBondContact O-N 2.83Å
237A98.9Very high98.2Very high0 Ų048.8 Ų48.80%026%0.256CS..  trans-119.8-128.1-176.100000111.8D54 L80 H164 Q239 V256D54-A237 VanDerWaalsContact OD2-CB 3.23Å; D54-A237 WeakPolarHBondContact OD2-CB 3.3Å; L80-A237 HydrophobicContact CB-CB 3.74Å; L80-A237 HydrophobicContact CD1-CB 3.91Å; L80-A237 HydrophobicContact CG-CB 4.46Å; H164-A237 CarbonylContact O-C 3.46Å; H164-A237 WeakPolarHBondContact O-CA 3.39Å; H164-A237 PolarHBondContact O-N 3.25Å; A237-Q239 PolarHBondContact O-N 2.99Å; A237-V256 WeakPolarHBondContact CA-O 3.46Å
238H98.6Very high98.2Very high10 Ų1042.6 Ų42.65%0.04623%0.228CC..SBendtrans62.9-17.1158.7-170.375.5000119.3D54 N114 H164 A165 W197 D199 R211 R236D54-H238 PolarHBondContact OD1-N 2.85Å; D54-H238 PolarHBondContact OD2-N 2.92Å; N114-H238 VanDerWaalsContact CG-CE1 3.48Å; N114-H238 PolarHBondContact OD1-CE1 3.42Å; N114-H238 PolarHBondContact OD1-ND1 3.4Å; H164-H238 AromaticContact CD2-ND1 3.6Å; H164-H238 AromaticContact NE2-CG 3.77Å; H164-H238 AromaticContact NE2-ND1 3.14Å; H164-H238 PolarHBondContact NE2-ND1 3.34Å; H164-H238 VanDerWaalsContact NE2-ND1 3.14Å; A165-H238 HydrophobicContact CB-CB 4.1Å; W197-H238 AromaticContact CE3-CE1 3.89Å; D199-H238 IonicContact OD1-CD2 3.18Å; D199-H238 PolarHBondContact OD1-CD2 2.89Å; R211-H238 PolarHBondContact NE-NE2 2.87Å; R211-H238 PolarHBondContact NH1-NE2 2.84Å; R211-H238 VanDerWaalsContact NH1-NE2 3.19Å; R211-H238 PolarHBondContact NH2-CD2 3.14Å; R211-H238 PolarHBondContact NH2-NE2 3.4Å; R211-H238 PolarHBondContact NH2-O 2.94Å; R236-H238 PolarHBondContact NH2-CD2 2.91Å
239Q98.2Very high98.2Very high48 Ų4839 Ų3922%0.22421%0.207CC..SBendtrans-118.2124.9170.5-81.4172.1-3800109.6D199 R236 A237 V241 T255 W257D199-Q239 VanDerWaalsContact CG-CD 3.45Å; D199-Q239 VanDerWaalsContact CG-NE2 3.28Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.39Å; D199-Q239 PolarHBondContact OD2-NE2 2.86Å; R236-Q239 VanDerWaalsContact NH1-CB 3.29Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.09Å; A237-Q239 PolarHBondContact O-N 2.99Å; Q239-V241 PolarHBondContact O-N 2.87Å; Q239-T255 HydrophobicContact CB-CG2 4.3Å; Q239-T255 WeakPolarHBondContact O-CG2 3.25Å; Q239-W257 VanDerWaalsContact C-CE3 3.44Å; Q239-W257 VanDerWaalsContact O-CE3 3.3Å
240V97.6Very high98.1Very high50 Ų5042.8 Ų42.830%0.30323%0.228SC..  trans-60.8126.6173.9-172.80000109.3W257 Y262 F266 N268V240-W257 HydrophobicContact CB-CD2 4.34Å; V240-W257 HydrophobicContact CB-CE3 4.48Å; V240-W257 HydrophobicContact CB-CZ2 4.41Å; V240-W257 HydrophobicContact CG1-CD2 4.45Å; V240-W257 HydrophobicContact CG2-CD2 4.32Å; V240-W257 HydrophobicContact CG2-CE3 4.32Å; V240-W257 HydrophobicContact CG2-CH2 3.59Å; V240-W257 HydrophobicContact CG2-CZ2 3.58Å; V240-W257 HydrophobicContact CG2-CZ3 3.95Å; V240-Y262 HydrophobicContact CG2-CD1 3.51Å; V240-Y262 HydrophobicContact CG2-CE1 3.75Å; V240-Y262 HydrophobicContact CG2-CG 4.36Å; V240-F266 HydrophobicContact CG1-CD1 4.03Å; V240-F266 HydrophobicContact CG2-CD1 4.47Å; V240-F266 HydrophobicContact CG2-CE1 4.29Å; V240-N268 HydrophobicContact CG1-CB 4.27Å
241V97.5Very high98.1Very high13 Ų1343.6 Ų43.68%0.07922%0.218CC..  trans-115.1128.7170.9-178.50000108.6Q239 E243 G244 Y245 K246 T255Q239-V241 PolarHBondContact O-N 2.87Å; V241-E243 HydrophobicContact CG1-CB 4.49Å; V241-E243 PolarHBondContact O-N 3.13Å; V241-G244 PolarHBondContact O-N 2.78Å; V241-Y245 WeakPolarHBondContact CG1-O 3.31Å; V241-K246 HydrophobicContact CG1-CB 3.86Å; V241-K246 HydrophobicContact CG2-CB 3.97Å; V241-T255 HydrophobicContact CG2-CG2 3.62Å
242M98.1Very high98.1Very high92 Ų9245.2 Ų45.245%0.45323%0.225SC..THydrogen-bonded Turntrans-60.9-34.9-175.3-70.9-55.3-57.300112.7G244 F266 N268 L269M242-G244 VanDerWaalsContact C-N 3.32Å; M242-F266 WeakPolarHBondContact CE-O 3.15Å; M242-N268 HydrophobicContact CE-CB 4.02Å; M242-N268 CarbonylContact O-C 3.51Å; M242-N268 WeakPolarHBondContact O-CA 3.38Å; M242-N268 HydrophobicContact SD-CB 3.87Å; M242-L269 PolarHBondContact O-N 2.92Å
243E98.1Very high98.2Very high121 Ų12141.7 Ų41.757%0.56520%0.2SC*.THydrogen-bonded Turntrans-87.3-0.7178.8-61.470.5-154.100112.9V241 Y245 T285V241-E243 HydrophobicContact CG1-CB 4.49Å; V241-E243 PolarHBondContact O-N 3.13Å; E243-Y245 VanDerWaalsContact C-N 3.27Å; E243-Y245 PolarHBondContact O-N 3.02Å; E243-T285 WeakPolarHBondContact O-CG2 3.48Å
244G98.1Very high98.2Very high0 Ų041.5 Ų41.50%020%0.199CC..SBendtrans85.2-21-178.400000114.8V241 M242 W257 L269 S271V241-G244 PolarHBondContact O-N 2.78Å; M242-G244 VanDerWaalsContact C-N 3.32Å; G244-W257 WeakPolarHBondContact O-CB 3.47Å; G244-W257 PolarHBondContact O-N 2.67Å; G244-L269 WeakPolarHBondContact CA-O 3.48Å; G244-S271 VanDerWaalsContact C-OG 3.32Å; G244-S271 WeakPolarHBondContact O-CB 3.38Å; G244-S271 PolarHBondContact O-OG 3.43Å
245Y98.6Very high98.2Very high77 Ų7741.6 Ų41.630%0.30220%0.2SC..EExtended strand (participates in β ladder)trans-152.1154.5170.670-78000112.5V241 E243 F247 T255 A283 T285V241-Y245 WeakPolarHBondContact CG1-O 3.31Å; E243-Y245 VanDerWaalsContact C-N 3.27Å; E243-Y245 PolarHBondContact O-N 3.02Å; Y245-F247 HydrophobicContact CD2-CD2 4.19Å; Y245-F247 AromaticContact CD2-CE2 3.95Å; Y245-F247 HydrophobicContact CD2-CE2 3.95Å; Y245-F247 HydrophobicContact CE2-CD2 4.06Å; Y245-F247 AromaticContact CE2-CE2 3.72Å; Y245-F247 HydrophobicContact CE2-CE2 3.72Å; Y245-T255 CarbonylContact C-O 3.52Å; Y245-T255 WeakPolarHBondContact CA-O 3.11Å; Y245-T255 WeakPolarHBondContact CB-O 3.11Å; Y245-A283 HydrophobicContact CD1-CB 3.66Å; Y245-A283 HydrophobicContact CD2-CB 3.78Å; Y245-A283 HydrophobicContact CE1-CB 3.63Å; Y245-A283 HydrophobicContact CE2-CB 3.75Å; Y245-A283 HydrophobicContact CG-CB 3.74Å; Y245-T285 HydrophobicContact CD1-CG2 3.92Å; Y245-T285 HydrophobicContact CE1-CG2 3.76Å
246K98.6Very high98.2Very high115 Ų11541.6 Ų41.650%0.520%0.2SC..EExtended strand (participates in β ladder)trans-144.3127.4177.5-176.9178.6-176.6-168.50111V241 L248 V254 T255V241-K246 HydrophobicContact CG1-CB 3.86Å; V241-K246 HydrophobicContact CG2-CB 3.97Å; K246-L248 HydrophobicContact CD-CD2 4.27Å; K246-L248 HydrophobicContact CG-CD2 4.38Å; K246-V254 WeakPolarHBondContact O-CA 3.49Å; K246-T255 PolarHBondContact N-O 3.44Å; K246-T255 PolarHBondContact O-N 3.15Å
247F98.6Very high98.2Very high62 Ų6241.8 Ų41.827%0.27220%0.201SC..EExtended strand (participates in β ladder)trans-86.7145.4168.2-68.9-76.9000111.2M233 Y245 N251 L253 V254 F273 Y281M233-F247 HydrophobicContact CE-CE1 4.03Å; M233-F247 HydrophobicContact SD-CE1 4.24Å; Y245-F247 HydrophobicContact CD2-CD2 4.19Å; Y245-F247 AromaticContact CD2-CE2 3.95Å; Y245-F247 HydrophobicContact CD2-CE2 3.95Å; Y245-F247 HydrophobicContact CE2-CD2 4.06Å; Y245-F247 AromaticContact CE2-CE2 3.72Å; Y245-F247 HydrophobicContact CE2-CE2 3.72Å; F247-N251 HydrophobicContact CD1-CB 4.13Å; F247-N251 WeakPolarHBondContact CG-OD1 3.41Å; F247-L253 CarbonylContact C-O 3.58Å; F247-L253 VanDerWaalsContact CA-O 3.3Å; F247-L253 WeakPolarHBondContact CA-O 3.4Å; F247-V254 HydrophobicContact CD1-CB 3.7Å; F247-V254 HydrophobicContact CD1-CG2 3.85Å; F247-V254 HydrophobicContact CE1-CB 3.69Å; F247-V254 HydrophobicContact CE1-CG2 3.71Å; F247-V254 HydrophobicContact CG-CG2 4.4Å; F247-V254 HydrophobicContact CZ-CG2 4.15Å; F247-F273 AromaticContact CE1-CE2 3.98Å; F247-F273 HydrophobicContact CE1-CE2 3.98Å; F247-F273 HydrophobicContact CE1-CZ 4.35Å; F247-F273 AromaticContact CZ-CE2 3.73Å; F247-F273 HydrophobicContact CZ-CE2 3.73Å; F247-F273 HydrophobicContact CZ-CZ 4.42Å; F247-Y281 AromaticContact CE1-CE2 3.9Å; F247-Y281 HydrophobicContact CE1-CE2 3.9Å; F247-Y281 HydrophobicContact CZ-CD2 4.22Å; F247-Y281 AromaticContact CZ-CE2 3.6Å; F247-Y281 HydrophobicContact CZ-CE2 3.6Å
248L98.3Very high98.2Very high27 Ų2741.9 Ų41.914%0.14120%0.201CC..EExtended strand (participates in β ladder)trans-126.7153.6171.6-64.5-178.6000111P200 K246 D250 N251 K252 L253P200-L248 HydrophobicContact CB-CD1 3.75Å; P200-L248 HydrophobicContact CG-CD1 3.96Å; K246-L248 HydrophobicContact CD-CD2 4.27Å; K246-L248 HydrophobicContact CG-CD2 4.38Å; L248-D250 PolarHBondContact O-N 3.32Å; L248-N251 PolarHBondContact O-N 3.02Å; L248-K252 PolarHBondContact O-N 3.42Å; L248-K252 VanDerWaalsContact O-N 3.1Å; L248-L253 HydrophobicContact CB-CB 4.36Å; L248-L253 HydrophobicContact CB-CD2 4.39Å; L248-L253 HydrophobicContact CD1-CD2 4.12Å; L248-L253 HydrophobicContact CG-CD2 4.36Å; L248-L253 PolarHBondContact N-O 3.3Å; L248-L253 PolarHBondContact O-N 3.4Å
249W97.2Very high98.2Very high18 Ų1841.4 Ų41.47%0.06820%0.199CC..THydrogen-bonded Turntrans51.251.8168.8-45.4-45.6000115P200 F217 R219 A222 K252 L253P200-W249 HydrophobicContact CB-CH2 3.59Å; P200-W249 HydrophobicContact CB-CZ2 4.21Å; P200-W249 HydrophobicContact CB-CZ3 4.27Å; F217-W249 HydrophobicContact CD2-CH2 4.01Å; F217-W249 HydrophobicContact CD2-CZ3 4.34Å; F217-W249 AromaticContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CH2 3.93Å; F217-W249 AromaticContact CE2-CZ3 3.99Å; F217-W249 HydrophobicContact CE2-CZ3 3.99Å; R219-W249 HydrophobicContact CB-CD2 3.95Å; R219-W249 HydrophobicContact CB-CG 3.86Å; R219-W249 HydrophobicContact CG-CB 4.02Å; R219-W249 HydrophobicContact CG-CD2 4.24Å; R219-W249 HydrophobicContact CG-CG 3.78Å; A222-W249 HydrophobicContact CB-CE3 3.69Å; A222-W249 HydrophobicContact CB-CH2 4.21Å; A222-W249 HydrophobicContact CB-CZ3 3.34Å; W249-K252 HydrophobicContact CB-CB 4.28Å; W249-K252 WeakPolarHBondContact O-CB 3.34Å; W249-K252 WeakPolarHBondContact O-CD 3.47Å; W249-K252 WeakPolarHBondContact O-CG 3.49Å; W249-K252 PolarHBondContact O-NZ 3.03Å; W249-L253 HydrophobicContact CE3-CB 4.2Å; W249-L253 HydrophobicContact CZ3-CB 4.25Å; W249-L253 HydrophobicContact CZ3-CD1 3.98Å
250D96.4Very high98.2Very high116 Ų11639.1 Ų39.162%0.6219%0.188SC*.THydrogen-bonded Turntrans62.352-179.5-42.5-64.1000112.2R219 L248 K252R219-D250 IonicContact CZ-OD2 2.58Å; R219-D250 VanDerWaalsContact CZ-OD2 3.22Å; R219-D250 IonicContact NH1-OD2 3.81Å; R219-D250 PolarHBondContact NH1-OD2 3.21Å; R219-D250 IonicContact NH2-OD2 3.23Å; R219-D250 PolarHBondContact NH2-OD2 3.43Å; L248-D250 PolarHBondContact O-N 3.32Å; D250-K252 PolarHBondContact O-N 3.13Å; D250-K252 IonicContact OD2-NZ 2.81Å
251N96.9Very high98.1Very high75 Ų7538 Ų3840%0.40118%0.181SC..THydrogen-bonded Turntrans60.423.1-179.1-53.7-23.5000114.5M233 F247 L248 L253M233-N251 HydrophobicContact CE-CB 4.42Å; M233-N251 WeakPolarHBondContact CE-O 3.44Å; F247-N251 HydrophobicContact CD1-CB 4.13Å; F247-N251 WeakPolarHBondContact CG-OD1 3.41Å; L248-N251 PolarHBondContact O-N 3.02Å; N251-L253 VanDerWaalsContact C-N 3.32Å
252K98.1Very high98.1Very high47 Ų4738 Ų3820%0.20418%0.179CC..THydrogen-bonded Turntrans-78.2-20.6174.4-75.6-176.6-164.469.70113E223 L226 M233 I234 L248 W249 D250E223-K252 HydrophobicContact CG-CD 3.58Å; E223-K252 VanDerWaalsContact OE1-CE 3.27Å; E223-K252 WeakPolarHBondContact OE1-CE 3.41Å; E223-K252 IonicContact OE1-NZ 3.63Å; L226-K252 HydrophobicContact CD1-CB 3.61Å; L226-K252 HydrophobicContact CD1-CD 3.92Å; L226-K252 HydrophobicContact CD1-CG 3.79Å; M233-K252 CarbonylContact C-O 3.43Å; M233-K252 WeakPolarHBondContact CA-O 3.47Å; I234-K252 PolarHBondContact N-O 3.05Å; L248-K252 PolarHBondContact O-N 3.42Å; L248-K252 VanDerWaalsContact O-N 3.1Å; W249-K252 HydrophobicContact CB-CB 4.28Å; W249-K252 WeakPolarHBondContact O-CB 3.34Å; W249-K252 WeakPolarHBondContact O-CD 3.47Å; W249-K252 WeakPolarHBondContact O-CG 3.49Å; W249-K252 PolarHBondContact O-NZ 3.03Å; D250-K252 PolarHBondContact O-N 3.13Å; D250-K252 IonicContact OD2-NZ 2.81Å
253L98.7Very high97.7Very high0 Ų034.7 Ų34.70%017%0.165CC..EExtended strand (participates in β ladder)trans-138.6142172.8-178152.1000109.6P200 F217 I234 R236 F247 L248 W249 N251P200-L253 HydrophobicContact CB-CD1 4.02Å; P200-L253 HydrophobicContact CG-CD1 4.15Å; P200-L253 HydrophobicContact CG-CD2 4.16Å; F217-L253 HydrophobicContact CE2-CD1 3.79Å; F217-L253 HydrophobicContact CZ-CD1 3.81Å; I234-L253 HydrophobicContact CB-CB 4.28Å; I234-L253 HydrophobicContact CB-CD1 4.08Å; I234-L253 HydrophobicContact CB-CG 4.08Å; I234-L253 HydrophobicContact CD1-CD1 4.38Å; I234-L253 HydrophobicContact CG2-CD1 3.93Å; I234-L253 HydrophobicContact CG2-CG 4.19Å; I234-L253 CarbonylContact O-C 3.45Å; I234-L253 VanDerWaalsContact O-CA 3.25Å; I234-L253 WeakPolarHBondContact O-CA 3.31Å; R236-L253 HydrophobicContact CG-CD1 4.28Å; R236-L253 HydrophobicContact CG-CD2 4.11Å; R236-L253 HydrophobicContact CG-CG 4.3Å; F247-L253 CarbonylContact C-O 3.58Å; F247-L253 VanDerWaalsContact CA-O 3.3Å; F247-L253 WeakPolarHBondContact CA-O 3.4Å; L248-L253 HydrophobicContact CB-CB 4.36Å; L248-L253 HydrophobicContact CB-CD2 4.39Å; L248-L253 HydrophobicContact CD1-CD2 4.12Å; L248-L253 HydrophobicContact CG-CD2 4.36Å; L248-L253 PolarHBondContact N-O 3.3Å; L248-L253 PolarHBondContact O-N 3.4Å; W249-L253 HydrophobicContact CE3-CB 4.2Å; W249-L253 HydrophobicContact CZ3-CB 4.25Å; W249-L253 HydrophobicContact CZ3-CD1 3.98Å; N251-L253 VanDerWaalsContact C-N 3.32Å
254V98.8Very high97.4Very high0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-124.2127.8166.466.20000109.7M233 I234 C235 R236 K246 F247 V256 F273M233-V254 HydrophobicContact CG-CG1 4.41Å; M233-V254 HydrophobicContact SD-CB 4.01Å; M233-V254 HydrophobicContact SD-CG1 3.53Å; M233-V254 VanDerWaalsContact SD-CG1 3.53Å; I234-V254 PolarHBondContact O-N 3.04Å; C235-V254 HydrophobicContact CB-CG1 4.04Å; R236-V254 PolarHBondContact N-O 2.95Å; K246-V254 WeakPolarHBondContact O-CA 3.49Å; F247-V254 HydrophobicContact CD1-CB 3.7Å; F247-V254 HydrophobicContact CD1-CG2 3.85Å; F247-V254 HydrophobicContact CE1-CB 3.69Å; F247-V254 HydrophobicContact CE1-CG2 3.71Å; F247-V254 HydrophobicContact CG-CG2 4.4Å; F247-V254 HydrophobicContact CZ-CG2 4.15Å; V254-V256 HydrophobicContact CG1-CG2 4.16Å; V254-V256 HydrophobicContact CG2-CG2 4.12Å; V254-F273 HydrophobicContact CG1-CD2 4.47Å; V254-F273 HydrophobicContact CG1-CE1 4.44Å; V254-F273 HydrophobicContact CG1-CE2 4.18Å; V254-F273 HydrophobicContact CG1-CZ 4.14Å; V254-F273 HydrophobicContact CG2-CD2 4.23Å; V254-F273 HydrophobicContact CG2-CE2 4.11Å
255T98.9Very high97.1Very high3 Ų339.3 Ų39.32%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-90.3124.1164.2-59.90000108R236 Q239 V241 Y245 K246R236-T255 WeakPolarHBondContact CD-OG1 3.44Å; R236-T255 CarbonylContact O-C 3.54Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.37Å; Q239-T255 HydrophobicContact CB-CG2 4.3Å; Q239-T255 WeakPolarHBondContact O-CG2 3.25Å; V241-T255 HydrophobicContact CG2-CG2 3.62Å; Y245-T255 CarbonylContact C-O 3.52Å; Y245-T255 WeakPolarHBondContact CA-O 3.11Å; Y245-T255 WeakPolarHBondContact CB-O 3.11Å; K246-T255 PolarHBondContact N-O 3.44Å; K246-T255 PolarHBondContact O-N 3.15Å
256V98.9Very high96.9Very high0 Ų039.5 Ų39.50%018%0.18CC..EExtended strand (participates in β ladder)trans-114.1124.3178.4-176.20000108G53 R236 A237 V254 F273G53-V256 WeakPolarHBondContact CA-O 3.36Å; R236-V256 PolarHBondContact O-N 2.83Å; A237-V256 WeakPolarHBondContact CA-O 3.46Å; V254-V256 HydrophobicContact CG1-CG2 4.16Å; V254-V256 HydrophobicContact CG2-CG2 4.12Å; V256-F273 HydrophobicContact CG1-CB 4.26Å; V256-F273 HydrophobicContact CG2-CB 3.74Å; V256-F273 HydrophobicContact CG2-CD2 4.49Å; V256-F273 HydrophobicContact CG2-CG 4.22Å
257W98.8Very high96.7Very high4 Ų444.3 Ų44.32%0.01520%0.195CC..  trans-121120.5179.8-174.7-92.5000110D54 H56 Q239 V240 G244 A259 Y262 N268 A270 S271D54-W257 HydrophobicContact CB-CD2 4.44Å; D54-W257 HydrophobicContact CB-CE3 4.03Å; D54-W257 HydrophobicContact CB-CH2 3.71Å; D54-W257 HydrophobicContact CB-CZ2 4.13Å; D54-W257 HydrophobicContact CB-CZ3 3.67Å; D54-W257 WeakPolarHBondContact OD1-CZ3 3.35Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.3Å; H56-W257 AromaticContact CD2-CH2 3.89Å; Q239-W257 VanDerWaalsContact C-CE3 3.44Å; Q239-W257 VanDerWaalsContact O-CE3 3.3Å; V240-W257 HydrophobicContact CB-CD2 4.34Å; V240-W257 HydrophobicContact CB-CE3 4.48Å; V240-W257 HydrophobicContact CB-CZ2 4.41Å; V240-W257 HydrophobicContact CG1-CD2 4.45Å; V240-W257 HydrophobicContact CG2-CD2 4.32Å; V240-W257 HydrophobicContact CG2-CE3 4.32Å; V240-W257 HydrophobicContact CG2-CH2 3.59Å; V240-W257 HydrophobicContact CG2-CZ2 3.58Å; V240-W257 HydrophobicContact CG2-CZ3 3.95Å; G244-W257 WeakPolarHBondContact O-CB 3.47Å; G244-W257 PolarHBondContact O-N 2.67Å; W257-A259 HydrophobicContact CZ2-CB 4.1Å; W257-A259 PolarHBondContact NE1-O 3.29Å; W257-Y262 HydrophobicContact CH2-CD1 4.44Å; W257-Y262 HydrophobicContact CH2-CD2 4.48Å; W257-Y262 HydrophobicContact CH2-CE1 4.23Å; W257-Y262 HydrophobicContact CH2-CE2 4.29Å; W257-Y262 AromaticContact CZ2-CD1 3.87Å; W257-Y262 HydrophobicContact CZ2-CD1 3.87Å; W257-Y262 AromaticContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CE1 4.08Å; W257-Y262 AromaticContact CZ2-CE2 3.9Å; W257-Y262 HydrophobicContact CZ2-CE2 3.9Å; W257-Y262 AromaticContact CZ2-CG 3.62Å; W257-Y262 HydrophobicContact CZ2-CG 3.62Å; W257-N268 PolarHBondContact NE1-ND2 3.22Å; W257-A270 CarbonylContact O-C 3.47Å; W257-A270 WeakPolarHBondContact O-CA 3.42Å; W257-S271 PolarHBondContact O-N 3.15Å
258S98.8Very high96.7Very high1 Ų141.4 Ų41.41%0.00718%0.183CC..  trans-109.510.5-170.5-64.50000114.7G53 D54 P260 A270 S271 F286G53-S258 PolarHBondContact N-OG 2.88Å; D54-S258 CarbonylContact O-C 3.58Å; D54-S258 WeakPolarHBondContact O-CA 3.26Å; D54-S258 WeakPolarHBondContact O-CB 3.31Å; D54-S258 PolarHBondContact O-N 3.42Å; S258-P260 WeakPolarHBondContact O-CD 3.35Å; S258-A270 VanDerWaalsContact C-CB 3.47Å; S258-S271 PolarHBondContact OG-O 2.9Å; S258-F286 WeakPolarHBondContact O-CZ 3.45Å
259A98.4Very high96.7Very high1 Ų143.7 Ų43.71%0.00820%0.195CC..  trans-112.694.6179.800000111.9D54 W257 Y262 N268D54-A259 WeakPolarHBondContact O-CB 3.43Å; D54-A259 PolarHBondContact O-N 2.86Å; D54-A259 VanDerWaalsContact O-N 3.12Å; W257-A259 HydrophobicContact CZ2-CB 4.1Å; W257-A259 PolarHBondContact NE1-O 3.29Å; A259-Y262 HydrophobicContact CB-CD2 4.34Å; A259-N268 PolarHBondContact O-ND2 3.16Å
260P98.1Very high96.7Very high0 Ų042.9 Ų42.90%019%0.191CC..THydrogen-bonded Turntrans-73.8152.9-176.531.5-34.9000110.7Q58 D61 S258 Y262 A270 F286 P288Q58-P260 PolarHBondContact NE2-O 3.5Å; D61-P260 HydrophobicContact CB-CG 3.74Å; S258-P260 WeakPolarHBondContact O-CD 3.35Å; P260-Y262 PolarHBondContact O-N 3.19Å; P260-A270 HydrophobicContact CB-CB 3.72Å; P260-A270 VanDerWaalsContact CD-CB 3.46Å; P260-A270 HydrophobicContact CG-CB 4Å; P260-F286 HydrophobicContact CG-CD2 4.19Å; P260-F286 HydrophobicContact CG-CE2 3.89Å; P260-P288 HydrophobicContact CB-CB 4.35Å; P260-P288 HydrophobicContact CG-CB 4.24Å
261N96.6Very high96.8Very high27 Ų2737.3 Ų37.314%0.14416%0.162CC..THydrogen-bonded Turntrans4251.8-173.1-173.736000111.5Y264 R265 F266 R267 N268 P288N261-Y264 PolarHBondContact ND2-O 3.49Å; N261-Y264 WeakPolarHBondContact O-CA 3.42Å; N261-Y264 PolarHBondContact O-N 3.09Å; N261-R265 PolarHBondContact OD1-N 3.26Å; N261-F266 PolarHBondContact OD1-N 3.46Å; N261-R267 WeakPolarHBondContact OD1-CA 3.48Å; N261-R267 PolarHBondContact OD1-N 2.98Å; N261-N268 PolarHBondContact N-O 3.46Å; N261-N268 PolarHBondContact N-OD1 3.1Å; N261-P288 HydrophobicContact CB-CB 4.1Å; N261-P288 HydrophobicContact CB-CG 4.03Å
262Y96.2Very high96.9Very high12 Ų1233.8 Ų33.85%0.04714%0.143CC..G310 helixtrans-50.4142.2-171.8175.7-128.2000111.8H56 R86 V240 W257 A259 P260 Y264 R265 F266 N268H56-Y262 HydrophobicContact CB-CE2 3.88Å; H56-Y262 AromaticContact CD2-CE2 3.2Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.43Å; H56-Y262 AromaticContact CD2-CZ 3.62Å; H56-Y262 PolarHBondContact CD2-OH 3.49Å; H56-Y262 AromaticContact CG-CE2 3.72Å; H56-Y262 AromaticContact NE2-CE2 3.88Å; H56-Y262 AromaticContact NE2-CZ 3.81Å; H56-Y262 PolarHBondContact NE2-OH 2.84Å; H56-Y262 VanDerWaalsContact NE2-OH 3.12Å; R86-Y262 HydrophobicContact CB-CE2 4.01Å; R86-Y262 HydrophobicContact CG-CE2 4.24Å; R86-Y262 WeakPolarHBondContact CG-OH 3.5Å; V240-Y262 HydrophobicContact CG2-CD1 3.51Å; V240-Y262 HydrophobicContact CG2-CE1 3.75Å; V240-Y262 HydrophobicContact CG2-CG 4.36Å; W257-Y262 HydrophobicContact CH2-CD1 4.44Å; W257-Y262 HydrophobicContact CH2-CD2 4.48Å; W257-Y262 HydrophobicContact CH2-CE1 4.23Å; W257-Y262 HydrophobicContact CH2-CE2 4.29Å; W257-Y262 AromaticContact CZ2-CD1 3.87Å; W257-Y262 HydrophobicContact CZ2-CD1 3.87Å; W257-Y262 AromaticContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CD2 3.66Å; W257-Y262 HydrophobicContact CZ2-CE1 4.08Å; W257-Y262 AromaticContact CZ2-CE2 3.9Å; W257-Y262 HydrophobicContact CZ2-CE2 3.9Å; W257-Y262 AromaticContact CZ2-CG 3.62Å; W257-Y262 HydrophobicContact CZ2-CG 3.62Å; A259-Y262 HydrophobicContact CB-CD2 4.34Å; P260-Y262 PolarHBondContact O-N 3.19Å; Y262-Y264 PolarHBondContact O-N 2.86Å; Y262-R265 PolarHBondContact O-N 3.11Å; Y262-R265 VanDerWaalsContact O-N 3.09Å; Y262-F266 HydrophobicContact CD1-CD1 4.14Å; Y262-F266 HydrophobicContact CD1-CD2 4.03Å; Y262-F266 HydrophobicContact CD1-CE1 4.09Å; Y262-F266 AromaticContact CD1-CE2 3.98Å; Y262-F266 HydrophobicContact CD1-CE2 3.98Å; Y262-F266 HydrophobicContact CD1-CG 4.11Å; Y262-F266 HydrophobicContact CD1-CZ 4.01Å; Y262-F266 HydrophobicContact CE1-CE2 4.46Å; Y262-F266 HydrophobicContact CE1-CZ 4.31Å; Y262-F266 WeakPolarHBondContact O-CB 3.46Å; Y262-F266 WeakPolarHBondContact O-CD2 3.28Å; Y262-F266 PolarHBondContact O-N 2.96Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.13Å; Y262-N268 PolarHBondContact N-OD1 2.88Å
263C90.6Very high97Very high23 Ų2331.5 Ų31.516%0.15513%0.133CC..G310 helixtrans51.724.1-172.4-64.30000113.6R265 F266C263-R265 HydrophobicContact CB-CG 4.16Å; C263-R265 PolarHBondContact O-N 3.05Å; C263-R265 VanDerWaalsContact O-N 3.15Å; C263-F266 HydrophobicContact CB-CD2 4.17Å; C263-F266 HydrophobicContact CB-CE2 4.11Å
264Y91.1Very high97Very high34 Ų3432.6 Ų32.613%0.13314%0.138CC..G310 helixtrans60.218.1-176.7-44.6-75.4000115G87 R88 N261 Y262G87-Y264 WeakPolarHBondContact CA-OH 3.31Å; R88-Y264 HydrophobicContact CG-CE2 3.88Å; R88-Y264 PolarHBondContact N-OH 3.37Å; N261-Y264 PolarHBondContact ND2-O 3.49Å; N261-Y264 WeakPolarHBondContact O-CA 3.42Å; N261-Y264 PolarHBondContact O-N 3.09Å; Y262-Y264 PolarHBondContact O-N 2.86Å
265R91.9Very high97Very high183 Ų18332.6 Ų32.669%0.69114%0.138SC*.THydrogen-bonded Turntrans-143.6-20.3-17369.1-174.1179.9169.5-0.4116N261 Y262 C263 R267N261-R265 PolarHBondContact OD1-N 3.26Å; Y262-R265 PolarHBondContact O-N 3.11Å; Y262-R265 VanDerWaalsContact O-N 3.09Å; C263-R265 HydrophobicContact CB-CG 4.16Å; C263-R265 PolarHBondContact O-N 3.05Å; C263-R265 VanDerWaalsContact O-N 3.15Å; R265-R267 VanDerWaalsContact C-N 3.29Å; R265-R267 PolarHBondContact O-N 3.16Å
266F94.5Very high96.9Very high81 Ų8136.3 Ų36.336%0.35516%0.161SC..SBendtrans-73.1-22.8-172.8-82.6-122.3000112.7V240 M242 N261 Y262 C263 N268V240-F266 HydrophobicContact CG1-CD1 4.03Å; V240-F266 HydrophobicContact CG2-CD1 4.47Å; V240-F266 HydrophobicContact CG2-CE1 4.29Å; M242-F266 WeakPolarHBondContact CE-O 3.15Å; N261-F266 PolarHBondContact OD1-N 3.46Å; Y262-F266 HydrophobicContact CD1-CD1 4.14Å; Y262-F266 HydrophobicContact CD1-CD2 4.03Å; Y262-F266 HydrophobicContact CD1-CE1 4.09Å; Y262-F266 AromaticContact CD1-CE2 3.98Å; Y262-F266 HydrophobicContact CD1-CE2 3.98Å; Y262-F266 HydrophobicContact CD1-CG 4.11Å; Y262-F266 HydrophobicContact CD1-CZ 4.01Å; Y262-F266 HydrophobicContact CE1-CE2 4.46Å; Y262-F266 HydrophobicContact CE1-CZ 4.31Å; Y262-F266 WeakPolarHBondContact O-CB 3.46Å; Y262-F266 WeakPolarHBondContact O-CD2 3.28Å; Y262-F266 PolarHBondContact O-N 2.96Å; C263-F266 HydrophobicContact CB-CD2 4.17Å; C263-F266 HydrophobicContact CB-CE2 4.11Å; F266-N268 VanDerWaalsContact CB-OD1 3.27Å; F266-N268 WeakPolarHBondContact CB-OD1 3.37Å; F266-N268 PolarHBondContact O-N 3.21Å; F266-N268 VanDerWaalsContact O-N 3.1Å
267R95Very high96.7Very high216 Ų21637.8 Ų37.882%0.81517%0.171SC*.  trans57.616.2-177.4-53.7-179.2178.1-169.4-1.6114.9N261 R265N261-R267 WeakPolarHBondContact OD1-CA 3.48Å; N261-R267 PolarHBondContact OD1-N 2.98Å; R265-R267 VanDerWaalsContact C-N 3.29Å; R265-R267 PolarHBondContact O-N 3.16Å
268N98Very high96.5Very high2 Ų241.1 Ų41.11%0.01119%0.193CC..  trans-67.5156.1170.164.7-69.3000111.1V240 M242 W257 A259 N261 Y262 F266V240-N268 HydrophobicContact CG1-CB 4.27Å; M242-N268 HydrophobicContact CE-CB 4.02Å; M242-N268 CarbonylContact O-C 3.51Å; M242-N268 WeakPolarHBondContact O-CA 3.38Å; M242-N268 HydrophobicContact SD-CB 3.87Å; W257-N268 PolarHBondContact NE1-ND2 3.22Å; A259-N268 PolarHBondContact O-ND2 3.16Å; N261-N268 PolarHBondContact N-O 3.46Å; N261-N268 PolarHBondContact N-OD1 3.1Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.13Å; Y262-N268 PolarHBondContact N-OD1 2.88Å; F266-N268 VanDerWaalsContact CB-OD1 3.27Å; F266-N268 WeakPolarHBondContact CB-OD1 3.37Å; F266-N268 PolarHBondContact O-N 3.21Å; F266-N268 VanDerWaalsContact O-N 3.1Å
269L98.1Very high96.2Very high75 Ų7544.8 Ų44.839%0.39322%0.224SC..  trans-79.4165.9161.6-62.4178.4000110.2M242 G244M242-L269 PolarHBondContact O-N 2.92Å; G244-L269 WeakPolarHBondContact CA-O 3.48Å
270A98.7Very high96.1Very high0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-114.8166.8166.300000110.4W257 S258 P260 T285 F286W257-A270 CarbonylContact O-C 3.47Å; W257-A270 WeakPolarHBondContact O-CA 3.42Å; S258-A270 VanDerWaalsContact C-CB 3.47Å; P260-A270 HydrophobicContact CB-CB 3.72Å; P260-A270 VanDerWaalsContact CD-CB 3.46Å; P260-A270 HydrophobicContact CG-CB 4Å; A270-T285 CarbonylContact O-C 3.52Å; A270-T285 WeakPolarHBondContact O-CA 3.29Å; A270-T285 WeakPolarHBondContact O-CB 3.34Å; A270-F286 HydrophobicContact CB-CD1 3.98Å; A270-F286 HydrophobicContact CB-CD2 4.23Å; A270-F286 HydrophobicContact CB-CE1 3.5Å; A270-F286 HydrophobicContact CB-CE2 3.79Å; A270-F286 HydrophobicContact CB-CG 4.32Å; A270-F286 HydrophobicContact CB-CZ 3.39Å; A270-F286 PolarHBondContact N-O 3.43Å; A270-F286 PolarHBondContact O-N 2.91Å
271S98.8Very high96.1Very high0 Ų052.9 Ų52.90%026%0.262CS..EExtended strand (participates in β ladder)trans-141.9163.817473.50000113G244 W257 S258 K284G244-S271 VanDerWaalsContact C-OG 3.32Å; G244-S271 WeakPolarHBondContact O-CB 3.38Å; G244-S271 PolarHBondContact O-OG 3.43Å; W257-S271 PolarHBondContact O-N 3.15Å; S258-S271 PolarHBondContact OG-O 2.9Å; S271-K284 CarbonylContact C-O 3.58Å; S271-K284 WeakPolarHBondContact CA-O 3.36Å; S271-K284 WeakPolarHBondContact CB-O 3.31Å
272I98.8Very high96.1Very high0 Ų057.1 Ų57.10%028%0.281CS..EExtended strand (participates in β ladder)trans-120.1151.5158.458.3178000108.8T50 L65 L68 G69 E274 A283 K284 F286T50-I272 HydrophobicContact CG2-CB 3.62Å; T50-I272 HydrophobicContact CG2-CD1 4.01Å; T50-I272 HydrophobicContact CG2-CG1 4.18Å; T50-I272 HydrophobicContact CG2-CG2 4.19Å; L65-I272 HydrophobicContact CD1-CG2 3.71Å; L65-I272 HydrophobicContact CD2-CG2 4.14Å; L65-I272 HydrophobicContact CG-CG2 3.49Å; L65-I272 VanDerWaalsContact CG-CG2 3.49Å; L68-I272 HydrophobicContact CB-CD1 4.35Å; L68-I272 HydrophobicContact CD2-CD1 3.88Å; L68-I272 HydrophobicContact CD2-CG1 3.96Å; L68-I272 HydrophobicContact CG-CD1 3.89Å; L68-I272 HydrophobicContact CG-CG1 4.49Å; G69-I272 VanDerWaalsContact CA-CD1 3.41Å; I272-E274 HydrophobicContact CD1-CG 4.36Å; I272-A283 CarbonylContact O-C 3.47Å; I272-A283 WeakPolarHBondContact O-CA 3.28Å; I272-K284 HydrophobicContact CD1-CB 4.41Å; I272-K284 HydrophobicContact CG1-CB 3.91Å; I272-K284 PolarHBondContact N-O 3.48Å; I272-K284 PolarHBondContact O-N 2.67Å; I272-F286 HydrophobicContact CG2-CE1 4.34Å
273F98.7Very high96.2Very high0 Ų057.6 Ų57.60%029%0.287CS..EExtended strand (participates in β ladder)trans-118.398.5-179-172-93.4000109.9I51 M233 F247 V254 V256 V275 Y281 A283I51-F273 HydrophobicContact CB-CB 4.21Å; I51-F273 HydrophobicContact CB-CD1 4.42Å; I51-F273 HydrophobicContact CD1-CD1 3.99Å; I51-F273 HydrophobicContact CD1-CE1 4.49Å; I51-F273 PolarHBondContact N-O 3.28Å; I51-F273 PolarHBondContact O-N 2.81Å; M233-F273 HydrophobicContact CE-CZ 4.33Å; M233-F273 HydrophobicContact SD-CE1 4.39Å; M233-F273 HydrophobicContact SD-CZ 3.93Å; F247-F273 AromaticContact CE1-CE2 3.98Å; F247-F273 HydrophobicContact CE1-CE2 3.98Å; F247-F273 HydrophobicContact CE1-CZ 4.35Å; F247-F273 AromaticContact CZ-CE2 3.73Å; F247-F273 HydrophobicContact CZ-CE2 3.73Å; F247-F273 HydrophobicContact CZ-CZ 4.42Å; V254-F273 HydrophobicContact CG1-CD2 4.47Å; V254-F273 HydrophobicContact CG1-CE1 4.44Å; V254-F273 HydrophobicContact CG1-CE2 4.18Å; V254-F273 HydrophobicContact CG1-CZ 4.14Å; V254-F273 HydrophobicContact CG2-CD2 4.23Å; V254-F273 HydrophobicContact CG2-CE2 4.11Å; V256-F273 HydrophobicContact CG1-CB 4.26Å; V256-F273 HydrophobicContact CG2-CB 3.74Å; V256-F273 HydrophobicContact CG2-CD2 4.49Å; V256-F273 HydrophobicContact CG2-CG 4.22Å; F273-V275 HydrophobicContact CD1-CG2 3.89Å; F273-V275 HydrophobicContact CE1-CG2 3.8Å; F273-Y281 HydrophobicContact CE1-CD2 4.23Å; F273-Y281 AromaticContact CE1-CG 3.92Å; F273-Y281 HydrophobicContact CE1-CG 3.92Å; F273-Y281 AromaticContact CE2-CD2 3.54Å; F273-Y281 HydrophobicContact CE2-CD2 3.54Å; F273-Y281 HydrophobicContact CE2-CE2 4.17Å; F273-Y281 HydrophobicContact CE2-CG 4.09Å; F273-Y281 HydrophobicContact CZ-CD1 4.1Å; F273-Y281 AromaticContact CZ-CD2 3.24Å; F273-Y281 HydrophobicContact CZ-CD2 3.24Å; F273-Y281 AromaticContact CZ-CE2 3.94Å; F273-Y281 HydrophobicContact CZ-CE2 3.94Å; F273-Y281 AromaticContact CZ-CG 3.34Å; F273-Y281 HydrophobicContact CZ-CG 3.34Å; F273-A283 HydrophobicContact CD2-CB 4.13Å
274E98.7Very high96.6Very high22 Ų2259.2 Ų59.210%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-82.2127.3-177.9-65-171.9-175.800110.3T50 I272 Y281 E282 K284T50-E274 HydrophobicContact CG2-CG 4.03Å; I272-E274 HydrophobicContact CD1-CG 4.36Å; E274-Y281 CarbonylContact O-C 3.56Å; E274-Y281 WeakPolarHBondContact O-CA 3.4Å; E274-Y281 WeakPolarHBondContact O-CB 3.17Å; E274-E282 PolarHBondContact N-O 2.88Å; E274-E282 PolarHBondContact O-N 3.32Å; E274-K284 VanDerWaalsContact CD-CE 3.41Å; E274-K284 WeakPolarHBondContact OE1-CD 3.45Å; E274-K284 WeakPolarHBondContact OE1-CE 3.49Å; E274-K284 IonicContact OE1-NZ 2.67Å; E274-K284 PolarHBondContact OE1-NZ 3.04Å; E274-K284 WeakPolarHBondContact OE2-CE 3.46Å; E274-K284 IonicContact OE2-NZ 3.8Å; E274-K284 PolarHBondContact OE2-NZ 3.31Å
275V98.6Very high96.9Very high1 Ų160.7 Ų60.71%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-111.2105.9172.1-175.20000107.1S47 P48 L49 I51 Y160 F273 S277S47-V275 WeakPolarHBondContact CB-O 3.46Å; P48-V275 VanDerWaalsContact CA-O 3.28Å; P48-V275 WeakPolarHBondContact CA-O 3.5Å; L49-V275 PolarHBondContact N-O 3.23Å; L49-V275 PolarHBondContact O-N 2.89Å; I51-V275 HydrophobicContact CD1-CG2 3.94Å; Y160-V275 HydrophobicContact CD2-CG1 4.3Å; Y160-V275 HydrophobicContact CE2-CG1 3.85Å; F273-V275 HydrophobicContact CD1-CG2 3.89Å; F273-V275 HydrophobicContact CE1-CG2 3.8Å; V275-S277 WeakPolarHBondContact CG1-O 3.46Å
276T97.4Very high97.2Very high80 Ų8053 Ų5349%0.49128%0.276SS..EExtended strand (participates in β ladder)trans-91.2-26.1-176.357.60000112.5N280T276-N280 PolarHBondContact N-O 3.5Å; T276-N280 WeakPolarHBondContact OG1-CB 3.37Å; T276-N280 PolarHBondContact OG1-O 3.42Å
277S96Very high97.3Very high32 Ų3250.7 Ų50.722%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-153.9168.9172.982.40000109.3S47 V275 A279 N280S47-S277 WeakPolarHBondContact OG-CA 3.35Å; V275-S277 WeakPolarHBondContact CG1-O 3.46Å; S277-A279 PolarHBondContact O-N 3.27Å; S277-A279 PolarHBondContact OG-N 3.03Å; S277-N280 PolarHBondContact N-O 3.36Å; S277-N280 PolarHBondContact O-N 2.85Å; S277-N280 WeakPolarHBondContact OG-CB 3.41Å; S277-N280 PolarHBondContact OG-N 3.19Å; S277-N280 PolarHBondContact OG-ND2 3.48Å
278P93Very high97.4Very high73 Ų7342.9 Ų42.947%0.47425%0.252SS..THydrogen-bonded Turntrans-54.4-24.1177.2-26.232.9000114.5D157 Y160D157-P278 HydrophobicContact CB-CB 4.09Å; D157-P278 HydrophobicContact CB-CG 3.89Å; Y160-P278 WeakPolarHBondContact CE2-O 3.25Å; Y160-P278 PolarHBondContact OH-O 3.27Å
279A92.6Very high97.2Very high79 Ų7943 Ų4365%0.65325%0.254SS*.THydrogen-bonded Turntrans-105.2-10.3-178.600000114.3S277S277-A279 PolarHBondContact O-N 3.27Å; S277-A279 PolarHBondContact OG-N 3.03Å
280N96.4Very high96.9Very high94 Ų9445.5 Ų45.550%0.50327%0.267SS..EExtended strand (participates in β ladder)trans-126.3116.5-170-64.4-32.7000111.2T276 S277T276-N280 PolarHBondContact N-O 3.5Å; T276-N280 WeakPolarHBondContact OG1-CB 3.37Å; T276-N280 PolarHBondContact OG1-O 3.42Å; S277-N280 PolarHBondContact N-O 3.36Å; S277-N280 PolarHBondContact O-N 2.85Å; S277-N280 WeakPolarHBondContact OG-CB 3.41Å; S277-N280 PolarHBondContact OG-N 3.19Å; S277-N280 PolarHBondContact OG-ND2 3.48Å
281Y97.6Very high96.3Very high76 Ų7652.5 Ų52.530%0.29829%0.293SS..EExtended strand (participates in β ladder)trans-132.4154.2171.957.2-101.6000111.5Y160 M233 F247 F273 E274Y160-Y281 AromaticContact CE1-CD1 3.9Å; Y160-Y281 HydrophobicContact CE1-CD1 3.9Å; Y160-Y281 HydrophobicContact CE1-CE1 4.36Å; Y160-Y281 WeakPolarHBondContact OH-CD1 3.48Å; M233-Y281 HydrophobicContact CE-CD1 4.08Å; M233-Y281 HydrophobicContact CE-CE1 3.4Å; M233-Y281 HydrophobicContact CE-CE2 4.12Å; M233-Y281 VanDerWaalsContact CE-CZ 3.42Å; F247-Y281 AromaticContact CE1-CE2 3.9Å; F247-Y281 HydrophobicContact CE1-CE2 3.9Å; F247-Y281 HydrophobicContact CZ-CD2 4.22Å; F247-Y281 AromaticContact CZ-CE2 3.6Å; F247-Y281 HydrophobicContact CZ-CE2 3.6Å; F273-Y281 HydrophobicContact CE1-CD2 4.23Å; F273-Y281 AromaticContact CE1-CG 3.92Å; F273-Y281 HydrophobicContact CE1-CG 3.92Å; F273-Y281 AromaticContact CE2-CD2 3.54Å; F273-Y281 HydrophobicContact CE2-CD2 3.54Å; F273-Y281 HydrophobicContact CE2-CE2 4.17Å; F273-Y281 HydrophobicContact CE2-CG 4.09Å; F273-Y281 HydrophobicContact CZ-CD1 4.1Å; F273-Y281 AromaticContact CZ-CD2 3.24Å; F273-Y281 HydrophobicContact CZ-CD2 3.24Å; F273-Y281 AromaticContact CZ-CE2 3.94Å; F273-Y281 HydrophobicContact CZ-CE2 3.94Å; F273-Y281 AromaticContact CZ-CG 3.34Å; F273-Y281 HydrophobicContact CZ-CG 3.34Å; E274-Y281 CarbonylContact O-C 3.56Å; E274-Y281 WeakPolarHBondContact O-CA 3.4Å; E274-Y281 WeakPolarHBondContact O-CB 3.17Å
282E97.9Very high95.4Very high116 Ų11652.8 Ų52.854%0.54230%0.296SS..EExtended strand (participates in β ladder)trans-141.7134.4176.5-176-179.8-163.800110.1E274 K284E274-E282 PolarHBondContact N-O 2.88Å; E274-E282 PolarHBondContact O-N 3.32Å; E282-K284 HydrophobicContact CG-CG 4.38Å; E282-K284 WeakPolarHBondContact OE2-CE 3.35Å
283A98.3Very high93.8Very high22 Ų2255.1 Ų55.118%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-93.6123.2170.400000110Y245 I272 F273Y245-A283 HydrophobicContact CD1-CB 3.66Å; Y245-A283 HydrophobicContact CD2-CB 3.78Å; Y245-A283 HydrophobicContact CE1-CB 3.63Å; Y245-A283 HydrophobicContact CE2-CB 3.75Å; Y245-A283 HydrophobicContact CG-CB 3.74Å; I272-A283 CarbonylContact O-C 3.47Å; I272-A283 WeakPolarHBondContact O-CA 3.28Å; F273-A283 HydrophobicContact CD2-CB 4.13Å
284K98.6Very high91.8Very high57 Ų5761.5 Ų61.525%0.24834%0.342CS..EExtended strand (participates in β ladder)trans-110.6129.8175.3-59.7-178.4-175.2166.30109.7L68 S271 I272 E274 E282L68-K284 HydrophobicContact CD1-CB 4.46Å; L68-K284 HydrophobicContact CD2-CB 3.85Å; L68-K284 HydrophobicContact CG-CB 4.28Å; S271-K284 CarbonylContact C-O 3.58Å; S271-K284 WeakPolarHBondContact CA-O 3.36Å; S271-K284 WeakPolarHBondContact CB-O 3.31Å; I272-K284 HydrophobicContact CD1-CB 4.41Å; I272-K284 HydrophobicContact CG1-CB 3.91Å; I272-K284 PolarHBondContact N-O 3.48Å; I272-K284 PolarHBondContact O-N 2.67Å; E274-K284 VanDerWaalsContact CD-CE 3.41Å; E274-K284 WeakPolarHBondContact OE1-CD 3.45Å; E274-K284 WeakPolarHBondContact OE1-CE 3.49Å; E274-K284 IonicContact OE1-NZ 2.67Å; E274-K284 PolarHBondContact OE1-NZ 3.04Å; E274-K284 WeakPolarHBondContact OE2-CE 3.46Å; E274-K284 IonicContact OE2-NZ 3.8Å; E274-K284 PolarHBondContact OE2-NZ 3.31Å; E282-K284 HydrophobicContact CG-CG 4.38Å; E282-K284 WeakPolarHBondContact OE2-CE 3.35Å
285T98.5Very high89.5Confident66 Ų6661.7 Ų61.741%0.40535%0.347SS..EExtended strand (participates in β ladder)trans-102.5153.4-176550000112.6E243 Y245 A270E243-T285 WeakPolarHBondContact O-CG2 3.48Å; Y245-T285 HydrophobicContact CD1-CG2 3.92Å; Y245-T285 HydrophobicContact CE1-CG2 3.76Å; A270-T285 CarbonylContact O-C 3.52Å; A270-T285 WeakPolarHBondContact O-CA 3.29Å; A270-T285 WeakPolarHBondContact O-CB 3.34Å
286F98.3Very high87Confident22 Ų2264.7 Ų64.710%0.09637%0.365CS..EExtended strand (participates in β ladder)trans-147.5156.7174.862.4-74.6000112.2E64 L65 L68 S258 P260 A270 I272E64-F286 HydrophobicContact CB-CD2 4.2Å; E64-F286 HydrophobicContact CB-CE2 4.5Å; L65-F286 HydrophobicContact CB-CE1 4.35Å; L65-F286 HydrophobicContact CB-CE2 4.29Å; L65-F286 HydrophobicContact CB-CZ 3.82Å; L65-F286 HydrophobicContact CD1-CZ 4.23Å; L65-F286 HydrophobicContact CG-CZ 4.36Å; L68-F286 HydrophobicContact CD2-CB 4.09Å; L68-F286 HydrophobicContact CD2-CD1 3.76Å; L68-F286 HydrophobicContact CD2-CG 4.25Å; S258-F286 WeakPolarHBondContact O-CZ 3.45Å; P260-F286 HydrophobicContact CG-CD2 4.19Å; P260-F286 HydrophobicContact CG-CE2 3.89Å; A270-F286 HydrophobicContact CB-CD1 3.98Å; A270-F286 HydrophobicContact CB-CD2 4.23Å; A270-F286 HydrophobicContact CB-CE1 3.5Å; A270-F286 HydrophobicContact CB-CE2 3.79Å; A270-F286 HydrophobicContact CB-CG 4.32Å; A270-F286 HydrophobicContact CB-CZ 3.39Å; A270-F286 PolarHBondContact N-O 3.43Å; A270-F286 PolarHBondContact O-N 2.91Å; I272-F286 HydrophobicContact CG2-CE1 4.34Å
287G96.4Very high84.1Confident31 Ų3171.5 Ų71.532%0.3238%0.382SS..  trans-96179.5173.600000112.5
288P96.2Very high81.2Confident52 Ų5274.7 Ų74.734%0.33841%0.41SS..  trans-67.3147.4178.830.1-35.5000111.8D61 P260 N261D61-P288 WeakPolarHBondContact OD1-CA 3.36Å; P260-P288 HydrophobicContact CB-CB 4.35Å; P260-P288 HydrophobicContact CG-CB 4.24Å; N261-P288 HydrophobicContact CB-CB 4.1Å; N261-P288 HydrophobicContact CB-CG 4.03Å
289A94.7Very high78.4Confident6 Ų677.8 Ų77.85%0.0544%0.442CS..  trans-61.3146.7172.800000110.7F60 D61 E64 R291 S292 S293F60-A289 HydrophobicContact CB-CB 3.82Å; D61-A289 WeakPolarHBondContact OD1-CB 3.26Å; D61-A289 PolarHBondContact OD1-N 2.84Å; E64-A289 HydrophobicContact CG-CB 3.54Å; A289-R291 PolarHBondContact O-N 3.31Å; A289-R291 VanDerWaalsContact O-N 3.16Å; A289-S292 WeakPolarHBondContact O-CA 3.36Å; A289-S292 VanDerWaalsContact O-CB 3.3Å; A289-S292 WeakPolarHBondContact O-CB 3.45Å; A289-S292 PolarHBondContact O-N 3.45Å; A289-S293 PolarHBondContact O-N 2.63Å
290N90Very high77.7Confident127 Ų12777.7 Ų77.768%0.67943%0.431SS*.Hα-helixtrans-55.5-36.2175.7-68.4-19.2000112.2S292 S293 E294N290-S292 VanDerWaalsContact C-N 3.29Å; N290-S292 PolarHBondContact O-N 3.39Å; N290-S293 PolarHBondContact O-N 2.64Å; N290-S293 PolarHBondContact O-OG 2.84Å; N290-E294 PolarHBondContact O-N 3.11Å
291R86.2Confident76.7Confident146 Ų14676.8 Ų76.855%0.55143%0.428SS*.Hα-helixtrans-69.9-25.6177-66.8179.767-177.21113.2F60 A289F60-R291 HydrophobicContact CB-CB 4.36Å; F60-R291 HydrophobicContact CD1-CB 4.18Å; F60-R291 HydrophobicContact CD2-CB 4.03Å; F60-R291 VanDerWaalsContact CE1-NH1 3.34Å; F60-R291 VanDerWaalsContact CE1-NH2 3.27Å; F60-R291 HydrophobicContact CE2-CB 4.42Å; F60-R291 HydrophobicContact CG-CB 3.91Å; F60-R291 VanDerWaalsContact CZ-NH2 3.33Å; A289-R291 PolarHBondContact O-N 3.31Å; A289-R291 VanDerWaalsContact O-N 3.16Å
292S79.9Confident75.6Confident7 Ų776.9 Ų76.95%0.04944%0.435CS..Hα-helixtrans-74.1-33.2174.6-57.30000111.5D61 A289 N290D61-S292 VanDerWaalsContact CG-OG 3.26Å; D61-S292 WeakPolarHBondContact OD1-CB 3.44Å; D61-S292 PolarHBondContact OD1-OG 3.19Å; D61-S292 PolarHBondContact OD2-OG 2.95Å; A289-S292 WeakPolarHBondContact O-CA 3.36Å; A289-S292 VanDerWaalsContact O-CB 3.3Å; A289-S292 WeakPolarHBondContact O-CB 3.45Å; A289-S292 PolarHBondContact O-N 3.45Å; N290-S292 VanDerWaalsContact C-N 3.29Å; N290-S292 PolarHBondContact O-N 3.39Å
293S65.8Low74.2Confident49 Ų4974.6 Ų74.634%0.34343%0.428SS..Hα-helixtrans-80.9-28.6-179.360.80000113.6A289 N290 A295 T296A289-S293 PolarHBondContact O-N 2.63Å; N290-S293 PolarHBondContact O-N 2.64Å; N290-S293 PolarHBondContact O-OG 2.84Å; S293-A295 PolarHBondContact O-N 3.44Å; S293-T296 PolarHBondContact O-N 3.06Å; S293-T296 PolarHBondContact O-OG1 3.22Å
294E57.3Low72.7Confident134 Ų13477.9 Ų77.963%0.62644%0.444SS*.Hα-helixtrans-65-29.6174.5-73.9175.2-175.100112.6N290 T296 W297N290-E294 PolarHBondContact O-N 3.11Å; E294-T296 PolarHBondContact O-N 3.07Å; E294-T296 VanDerWaalsContact O-N 3.09Å; E294-W297 PolarHBondContact O-N 2.66Å; E294-W297 VanDerWaalsContact O-N 3.11Å
295A49.6Very low71Confident25 Ų2579.3 Ų79.321%0.20746%0.457CS..THydrogen-bonded Turntrans-67.7-10.5-176.800000114.3R88 S293R88-A295 PolarHBondContact NH1-O 2.79Å; S293-A295 PolarHBondContact O-N 3.44Å
296T46.6Very low69Low64 Ų6480.2 Ų80.239%0.39346%0.461SS..THydrogen-bonded Turntrans-81.7-15.1173.656.30000113.7S293 E294S293-T296 PolarHBondContact O-N 3.06Å; S293-T296 PolarHBondContact O-OG1 3.22Å; E294-T296 PolarHBondContact O-N 3.07Å; E294-T296 VanDerWaalsContact O-N 3.09Å
297W36.2Very low66.8Low224 Ų22484.7 Ų84.785%0.84849%0.489SS*.SBendtrans-93.9-7.5-175.9-64.181.4000114.1E294E294-W297 PolarHBondContact O-N 2.66Å; E294-W297 VanDerWaalsContact O-N 3.11Å
298A35.2Very low64.3Low98 Ų9889.2 Ų89.281%0.8150%0.503SS*.  trans-104.38.2-175.200000114.6
299A34.4Very low61.4Low138 Ų13892.5 Ų92.5100%1.14152%0.518SS*.  trans-111.40172.400000109.6

Retrieved 299 of 299 residues in 95.5 ms (Link to these results)

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