C1LZY9_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession C1LZY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 311 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
1M53.9Low80.4Confident197 Ų197102.5 Ų102.597%0.9755%0.548SS*.  0-61.90-72.1-157.1-82.100112.8G3 D4 F5M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.45Å; M1-D4 WeakPolarHBondContact O-CB 3.4Å; M1-D4 PolarHBondContact O-N 3.35Å; M1-D4 VanDerWaalsContact O-N 3.1Å; M1-F5 VanDerWaalsContact O-CD2 3.26Å; M1-F5 WeakPolarHBondContact O-CD2 3.19Å; M1-F5 PolarHBondContact O-N 3.22Å
2A57.9Low81.9Confident74 Ų7494.3 Ų94.361%0.61250%0.504SS*.Hα-helixtrans-59.6-30.4-178.100000115.4R6A2-R6 WeakPolarHBondContact O-CG 3.23Å; A2-R6 PolarHBondContact O-N 3.43Å
3G56.7Low83.1Confident56 Ų5691.2 Ų91.258%0.57749%0.488SS*.Hα-helixtrans-71.1-30.6176.500000114.3M1 A7M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.45Å; G3-A7 PolarHBondContact O-N 3.14Å
4D79.9Confident84.2Confident118 Ų11892.1 Ų92.163%0.63149%0.488SS*.Hα-helixtrans-73.2-49.5-177.5-166.715.6000110.6M1 R6 A7 E8M1-D4 WeakPolarHBondContact O-CB 3.4Å; M1-D4 PolarHBondContact O-N 3.35Å; M1-D4 VanDerWaalsContact O-N 3.1Å; D4-R6 VanDerWaalsContact C-N 3.26Å; D4-R6 PolarHBondContact O-N 2.92Å; D4-A7 PolarHBondContact O-N 2.72Å; D4-E8 PolarHBondContact O-N 3.16Å
5F81.4Confident85.1Confident135 Ų13586.5 Ų86.559%0.59246%0.457SS*.Hα-helixtrans-56.9-37.1174-69.2-66.2000113.5M1 A9M1-F5 VanDerWaalsContact O-CD2 3.26Å; M1-F5 WeakPolarHBondContact O-CD2 3.19Å; M1-F5 PolarHBondContact O-N 3.22Å; F5-A9 VanDerWaalsContact O-CB 3.26Å; F5-A9 WeakPolarHBondContact O-CB 3.24Å; F5-A9 PolarHBondContact O-N 2.71Å
6R84.8Confident86Confident199 Ų19981.7 Ų81.775%0.75143%0.431SS*.Hα-helixtrans-69.7-36.8177.3-75.7-179-179.8-172.80.6112.2A2 D4 K10A2-R6 WeakPolarHBondContact O-CG 3.23Å; A2-R6 PolarHBondContact O-N 3.43Å; D4-R6 VanDerWaalsContact C-N 3.26Å; D4-R6 PolarHBondContact O-N 2.92Å; R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 PolarHBondContact O-N 3.1Å
7A90.1Very high86.7Confident59 Ų5984.8 Ų84.849%0.48844%0.443SS..Hα-helixtrans-68.5-46.5177.400000110.8G3 D4 K10 E11G3-A7 PolarHBondContact O-N 3.14Å; D4-A7 PolarHBondContact O-N 2.72Å; A7-K10 PolarHBondContact O-N 3.2Å; A7-E11 PolarHBondContact O-N 3.1Å
8E92.2Very high87.3Confident55 Ų5583.7 Ų83.726%0.25744%0.435SS..Hα-helixtrans-61.7-45.3176.5178170.7-146.900112.3D4 K10 E11 L12 K36D4-E8 PolarHBondContact O-N 3.16Å; E8-K10 VanDerWaalsContact C-N 3.28Å; E8-K10 PolarHBondContact O-N 3.01Å; E8-E11 PolarHBondContact O-N 3.33Å; E8-L12 HydrophobicContact CG-CD1 3.9Å; E8-L12 HydrophobicContact CG-CG 4.49Å; E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 3.28Å; E8-K36 WeakPolarHBondContact OE1-CD 3.24Å; E8-K36 IonicContact OE1-NZ 3.23Å; E8-K36 PolarHBondContact OE1-NZ 3.4Å
9A94Very high87.9Confident27 Ų2779.3 Ų79.322%0.22341%0.412CS..Hα-helixtrans-59.1-41.5176.900000111.9F5 L12 D13 R108F5-A9 VanDerWaalsContact O-CB 3.26Å; F5-A9 WeakPolarHBondContact O-CB 3.24Å; F5-A9 PolarHBondContact O-N 2.71Å; A9-L12 PolarHBondContact O-N 2.67Å; A9-D13 WeakPolarHBondContact O-CB 3.4Å; A9-D13 PolarHBondContact O-N 3.18Å; A9-R108 PolarHBondContact O-NE 3.49Å
10K95.9Very high88.4Confident134 Ų13477.6 Ų77.658%0.58340%0.401SS*.Hα-helixtrans-66.6-40177.9-174.6-179.4178.2-1760112.3R6 A7 E8 D13 Q14R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 PolarHBondContact O-N 3.1Å; A7-K10 PolarHBondContact O-N 3.2Å; E8-K10 VanDerWaalsContact C-N 3.28Å; E8-K10 PolarHBondContact O-N 3.01Å; K10-D13 PolarHBondContact O-N 3.26Å; K10-Q14 VanDerWaalsContact O-CG 3.32Å; K10-Q14 WeakPolarHBondContact O-CG 3.39Å; K10-Q14 PolarHBondContact O-N 3.37Å; K10-Q14 VanDerWaalsContact O-N 3.11Å
11E97.5Very high88.8Confident74 Ų7480.7 Ų80.735%0.34641%0.413SS..Hα-helixtrans-62.2-47.9175.2175.8178.3-117.100111.1A7 E8 D13 Q14 W15A7-E11 PolarHBondContact O-N 3.1Å; E8-E11 PolarHBondContact O-N 3.33Å; E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 3.36Å; E11-Q14 WeakPolarHBondContact O-CB 3.26Å; E11-Q14 PolarHBondContact O-N 3.48Å; E11-W15 HydrophobicContact CG-CD2 4.25Å; E11-W15 HydrophobicContact CG-CH2 4.22Å; E11-W15 HydrophobicContact CG-CZ2 3.55Å; E11-W15 PolarHBondContact O-N 3.19Å; E11-W15 WeakPolarHBondContact OE1-CZ2 3.47Å
12L98.1Very high90.8Very high4 Ų472.6 Ų72.62%0.02138%0.376CS..Hα-helixtrans-63.4-39.4177.8-72.2167000112.2E8 A9 Q14 W15 I16 L33 V107 R108E8-L12 HydrophobicContact CG-CD1 3.9Å; E8-L12 HydrophobicContact CG-CG 4.49Å; E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 3.28Å; A9-L12 PolarHBondContact O-N 2.67Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 2.74Å; L12-W15 HydrophobicContact CD2-CE3 3.99Å; L12-W15 HydrophobicContact CD2-CZ3 4.16Å; L12-W15 PolarHBondContact O-N 3.15Å; L12-I16 WeakPolarHBondContact O-CB 3.38Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.39Å; L12-I16 PolarHBondContact O-N 3.2Å; L12-L33 HydrophobicContact CD2-CD1 4.14Å; L12-V107 HydrophobicContact CD1-CB 4.42Å; L12-V107 HydrophobicContact CD1-CG1 3.67Å; L12-V107 HydrophobicContact CD2-CB 4.21Å; L12-V107 HydrophobicContact CD2-CG1 3.94Å; L12-V107 HydrophobicContact CG-CG1 4.47Å; L12-R108 HydrophobicContact CB-CB 4.08Å; L12-R108 HydrophobicContact CB-CG 4.24Å; L12-R108 HydrophobicContact CD1-CB 4.23Å
13D97.9Very high92.7Very high54 Ų5473.3 Ų73.329%0.28937%0.369SS..Hα-helixtrans-60.2-41.7174.7-71.9-23.2000110.7A9 K10 E11 I16 E17 R108A9-D13 WeakPolarHBondContact O-CB 3.4Å; A9-D13 PolarHBondContact O-N 3.18Å; K10-D13 PolarHBondContact O-N 3.26Å; E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 3.36Å; D13-I16 PolarHBondContact O-N 3.05Å; D13-E17 WeakPolarHBondContact O-CG 3.48Å; D13-E17 PolarHBondContact O-N 2.82Å; D13-R108 IonicContact OD1-CZ 2.69Å; D13-R108 IonicContact OD1-NE 3.42Å; D13-R108 PolarHBondContact OD1-NE 3.14Å; D13-R108 IonicContact OD1-NH2 2.62Å; D13-R108 PolarHBondContact OD1-NH2 3.18Å; D13-R108 IonicContact OD2-CZ 3.24Å; D13-R108 IonicContact OD2-NE 3.14Å; D13-R108 PolarHBondContact OD2-NE 2.92Å; D13-R108 IonicContact OD2-NH2 3.78Å; D13-R108 PolarHBondContact OD2-NH2 3.37Å; D13-R108 VanDerWaalsContact OD2-NH2 3.11Å
14Q98.2Very high94.7Very high104 Ų10474 Ų7449%0.48636%0.357SS..Hα-helixtrans-65.1-41.2175.3-71173.1-12.800112.9K10 E11 L12 E17 Q18K10-Q14 VanDerWaalsContact O-CG 3.32Å; K10-Q14 WeakPolarHBondContact O-CG 3.39Å; K10-Q14 PolarHBondContact O-N 3.37Å; K10-Q14 VanDerWaalsContact O-N 3.11Å; E11-Q14 WeakPolarHBondContact O-CB 3.26Å; E11-Q14 PolarHBondContact O-N 3.48Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 2.74Å; Q14-E17 PolarHBondContact O-N 3.24Å; Q14-Q18 WeakPolarHBondContact O-CB 3.41Å; Q14-Q18 PolarHBondContact O-N 3.08Å
15W98.6Very high95.6Very high8 Ų868.4 Ų68.43%0.0333%0.328CS..Hα-helixtrans-65.4-40.7176.7-67.6-0.7000111.6E11 L12 Q18 L19 L25 Q29 L33E11-W15 HydrophobicContact CG-CD2 4.25Å; E11-W15 HydrophobicContact CG-CH2 4.22Å; E11-W15 HydrophobicContact CG-CZ2 3.55Å; E11-W15 PolarHBondContact O-N 3.19Å; E11-W15 WeakPolarHBondContact OE1-CZ2 3.47Å; L12-W15 HydrophobicContact CD2-CE3 3.99Å; L12-W15 HydrophobicContact CD2-CZ3 4.16Å; L12-W15 PolarHBondContact O-N 3.15Å; W15-Q18 PolarHBondContact O-N 2.91Å; W15-L19 VanDerWaalsContact O-CB 3.31Å; W15-L19 WeakPolarHBondContact O-CB 3.45Å; W15-L19 WeakPolarHBondContact O-CD1 3.44Å; W15-L19 WeakPolarHBondContact O-CG 3.38Å; W15-L19 PolarHBondContact O-N 2.94Å; W15-L25 HydrophobicContact CB-CD1 4.13Å; W15-L25 HydrophobicContact CB-CD2 3.9Å; W15-L25 HydrophobicContact CD2-CD1 3.96Å; W15-L25 HydrophobicContact CE3-CD1 3.97Å; W15-L25 HydrophobicContact CG-CD1 4.04Å; W15-L25 HydrophobicContact CG-CD2 3.86Å; W15-Q29 HydrophobicContact CH2-CB 4.42Å; W15-Q29 HydrophobicContact CZ2-CB 4.04Å; W15-Q29 HydrophobicContact CZ2-CG 3.8Å; W15-Q29 VanDerWaalsContact NE1-NE2 3.19Å; W15-L33 HydrophobicContact CE3-CB 4.37Å; W15-L33 HydrophobicContact CE3-CD1 4.33Å; W15-L33 HydrophobicContact CZ3-CB 3.82Å; W15-L33 HydrophobicContact CZ3-CD1 4.19Å
16I98.4Very high96.4Very high9 Ų965.9 Ų65.95%0.04632%0.323CS..Hα-helixtrans-64.1-44.1176.5-71.8168000110.8L12 D13 L19 Y20 L101 A104 M105 R108 F109L12-I16 WeakPolarHBondContact O-CB 3.38Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.39Å; L12-I16 PolarHBondContact O-N 3.2Å; D13-I16 PolarHBondContact O-N 3.05Å; I16-L19 PolarHBondContact O-N 3.06Å; I16-Y20 HydrophobicContact CG2-CD2 3.61Å; I16-Y20 HydrophobicContact CG2-CE2 3.29Å; I16-Y20 VanDerWaalsContact O-CD2 3.27Å; I16-Y20 WeakPolarHBondContact O-CD2 3.31Å; I16-Y20 PolarHBondContact O-N 3.44Å; I16-L101 HydrophobicContact CG1-CD1 4.42Å; I16-L101 HydrophobicContact CG2-CD1 4.14Å; I16-A104 HydrophobicContact CD1-CB 4.49Å; I16-A104 HydrophobicContact CG1-CB 3.81Å; I16-M105 HydrophobicContact CD1-CG 4.27Å; I16-M105 HydrophobicContact CG1-CG 4.47Å; I16-R108 HydrophobicContact CD1-CB 3.64Å; I16-R108 HydrophobicContact CD1-CG 3.8Å; I16-F109 HydrophobicContact CD1-CE2 3.98Å
17E97.9Very high97Very high135 Ų13558.8 Ų58.863%0.63130%0.299SS*.Hα-helixtrans-59.8-45.4174.5-75.4176.3-179.700112D13 Q14 L19 Y20 E21D13-E17 WeakPolarHBondContact O-CG 3.48Å; D13-E17 PolarHBondContact O-N 2.82Å; Q14-E17 PolarHBondContact O-N 3.24Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.46Å; E17-Y20 PolarHBondContact O-N 2.92Å; E17-E21 PolarHBondContact O-N 3.35Å
18Q98.3Very high97.4Very high65 Ų6559.6 Ų59.630%0.30431%0.305SS..Hα-helixtrans-59.5-44.9175176.9-179.4-29.600111.7Q14 W15 E21 N23 Q24Q14-Q18 WeakPolarHBondContact O-CB 3.41Å; Q14-Q18 PolarHBondContact O-N 3.08Å; W15-Q18 PolarHBondContact O-N 2.91Å; Q18-E21 PolarHBondContact O-N 2.94Å; Q18-N23 HydrophobicContact CG-CB 3.68Å; Q18-N23 WeakPolarHBondContact O-CB 3.45Å; Q18-N23 PolarHBondContact O-N 2.73Å; Q18-Q24 PolarHBondContact NE2-O 2.9Å
19L98.3Very high97.7Very high0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-69.6-34.4-178.9-74.4162.8000112.3W15 I16 E17 E21 C22 L25 F64 T100 L101 A104W15-L19 VanDerWaalsContact O-CB 3.31Å; W15-L19 WeakPolarHBondContact O-CB 3.45Å; W15-L19 WeakPolarHBondContact O-CD1 3.44Å; W15-L19 WeakPolarHBondContact O-CG 3.38Å; W15-L19 PolarHBondContact O-N 2.94Å; I16-L19 PolarHBondContact O-N 3.06Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.46Å; L19-E21 PolarHBondContact O-N 3.4Å; L19-C22 WeakPolarHBondContact O-CA 3.16Å; L19-C22 PolarHBondContact O-N 2.89Å; L19-L25 HydrophobicContact CD1-CD1 4.18Å; L19-L25 HydrophobicContact CD1-CD2 4.49Å; L19-L25 HydrophobicContact CD1-CG 4.2Å; L19-L25 HydrophobicContact CD2-CG 4.26Å; L19-L25 HydrophobicContact CG-CD2 4.35Å; L19-L25 HydrophobicContact CG-CG 4.28Å; L19-F64 WeakPolarHBondContact O-CE2 3.13Å; L19-F64 WeakPolarHBondContact O-CZ 3.47Å; L19-T100 HydrophobicContact CD1-CG2 3.69Å; L19-T100 HydrophobicContact CD2-CG2 3.82Å; L19-T100 HydrophobicContact CG-CG2 4.39Å; L19-L101 HydrophobicContact CB-CB 4.19Å; L19-L101 HydrophobicContact CB-CD1 3.93Å; L19-L101 HydrophobicContact CB-CG 4.49Å; L19-L101 HydrophobicContact CD1-CB 4.4Å; L19-L101 HydrophobicContact CD1-CD1 4.48Å; L19-A104 HydrophobicContact CD1-CB 4.01Å
20Y97.2Very high98Very high45 Ų4557.9 Ų57.918%0.17629%0.293CS..Hα-helixtrans-58.5-29173.1-86.5-50.1000112.7I16 E17 C22 M68 F71 L101I16-Y20 HydrophobicContact CG2-CD2 3.61Å; I16-Y20 HydrophobicContact CG2-CE2 3.29Å; I16-Y20 VanDerWaalsContact O-CD2 3.27Å; I16-Y20 WeakPolarHBondContact O-CD2 3.31Å; I16-Y20 PolarHBondContact O-N 3.44Å; E17-Y20 PolarHBondContact O-N 2.92Å; Y20-C22 PolarHBondContact O-N 3.46Å; Y20-M68 HydrophobicContact CD1-CE 4.33Å; Y20-M68 HydrophobicContact CD1-SD 3.56Å; Y20-M68 VanDerWaalsContact CD1-SD 3.56Å; Y20-M68 HydrophobicContact CE1-CE 4.41Å; Y20-M68 HydrophobicContact CE1-SD 4.05Å; Y20-F71 HydrophobicContact CE1-CD2 4.11Å; Y20-L101 HydrophobicContact CD1-CD2 4.11Å; Y20-L101 HydrophobicContact CE1-CD2 4.08Å
21E97Very high98.1Very high143 Ų14355.7 Ų55.767%0.66828%0.283SS*.THydrogen-bonded Turntrans-84.712.8173.5-62.5-60.6139.800113.2E17 Q18 L19 N23E17-E21 PolarHBondContact O-N 3.35Å; Q18-E21 PolarHBondContact O-N 2.94Å; L19-E21 PolarHBondContact O-N 3.4Å; E21-N23 VanDerWaalsContact CB-ND2 3.34Å; E21-N23 WeakPolarHBondContact CB-ND2 3.28Å; E21-N23 PolarHBondContact O-N 3.48Å
22C97.1Very high98.2Very high26 Ų2654 Ų5418%0.17628%0.279CS..THydrogen-bonded Turntrans59.428.3-176.9-156.50000113.3L19 Y20 F64L19-C22 WeakPolarHBondContact O-CA 3.16Å; L19-C22 PolarHBondContact O-N 2.89Å; Y20-C22 PolarHBondContact O-N 3.46Å; C22-F64 HydrophobicContact CB-CD1 3.92Å; C22-F64 HydrophobicContact CB-CE1 3.58Å; C22-F64 HydrophobicContact CB-CZ 4.21Å; C22-F64 VanDerWaalsContact SG-CD1 3.51Å
23N97.8Very high98.2Very high89 Ų8953.8 Ų53.848%0.47628%0.278SS..PPolyproline II helixtrans-96.7117.1177.6-64.2-55000110.5Q18 E21Q18-N23 HydrophobicContact CG-CB 3.68Å; Q18-N23 WeakPolarHBondContact O-CB 3.45Å; Q18-N23 PolarHBondContact O-N 2.73Å; E21-N23 VanDerWaalsContact CB-ND2 3.34Å; E21-N23 WeakPolarHBondContact CB-ND2 3.28Å; E21-N23 PolarHBondContact O-N 3.48Å
24Q97.2Very high98.3Very high71 Ų7151.3 Ų51.333%0.33227%0.265SS..PPolyproline II helixtrans-59.3142.8178.367-175.855.100112.7Q18 V96 K138Q18-Q24 PolarHBondContact NE2-O 2.9Å; Q24-V96 HydrophobicContact CB-CG1 4.47Å; Q24-K138 PolarHBondContact NE2-O 3.36Å
25L98.6Very high98.3Very high1 Ų151.2 Ų51.21%0.00526%0.264CS..PPolyproline II helixtrans-72.4158.5169.1-61.9-174.6000110.6W15 L19 Q29 V30 L33 T100 Y139W15-L25 HydrophobicContact CB-CD1 4.13Å; W15-L25 HydrophobicContact CB-CD2 3.9Å; W15-L25 HydrophobicContact CD2-CD1 3.96Å; W15-L25 HydrophobicContact CE3-CD1 3.97Å; W15-L25 HydrophobicContact CG-CD1 4.04Å; W15-L25 HydrophobicContact CG-CD2 3.86Å; L19-L25 HydrophobicContact CD1-CD1 4.18Å; L19-L25 HydrophobicContact CD1-CD2 4.49Å; L19-L25 HydrophobicContact CD1-CG 4.2Å; L19-L25 HydrophobicContact CD2-CG 4.26Å; L19-L25 HydrophobicContact CG-CD2 4.35Å; L19-L25 HydrophobicContact CG-CG 4.28Å; L25-Q29 HydrophobicContact CB-CB 3.93Å; L25-Q29 HydrophobicContact CD1-CB 4.23Å; L25-V30 HydrophobicContact CB-CG2 3.96Å; L25-L33 HydrophobicContact CD1-CD2 4.25Å; L25-T100 HydrophobicContact CB-CG2 4.47Å; L25-T100 HydrophobicContact CD1-CG2 3.6Å; L25-T100 HydrophobicContact CG-CG2 3.91Å; L25-Y139 VanDerWaalsContact O-CE1 3.24Å; L25-Y139 WeakPolarHBondContact O-CE1 3.4Å; L25-Y139 PolarHBondContact O-OH 3.49Å
26T98.6Very high98.3Very high81 Ų8153.1 Ų53.150%0.49727%0.273SS..PPolyproline II helixtrans-65.9156.6170.564.20000111.3A28 Q29 V30T26-A28 PolarHBondContact O-N 3.12Å; T26-Q29 WeakPolarHBondContact O-CB 3.47Å; T26-Q29 PolarHBondContact O-N 2.96Å; T26-Q29 VanDerWaalsContact OG1-CD 3.27Å; T26-Q29 VanDerWaalsContact OG1-CG 3.25Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.45Å; T26-Q29 PolarHBondContact OG1-N 2.93Å; T26-Q29 PolarHBondContact OG1-OE1 2.88Å; T26-V30 PolarHBondContact O-N 3.1Å
27E98.7Very high98.3Very high51 Ų5152.7 Ų52.724%0.23827%0.271CS..Hα-helixtrans-53.5-41.5178.1-177.7-177.4141.400112.3V30 K31 Y139 N141 N143 V144 Y147E27-V30 PolarHBondContact O-N 3.04Å; E27-K31 PolarHBondContact O-N 2.9Å; E27-Y139 HydrophobicContact CB-CD1 4.14Å; E27-N141 PolarHBondContact OE2-ND2 2.75Å; E27-N143 HydrophobicContact CG-CB 4.4Å; E27-N143 WeakPolarHBondContact OE1-CB 3.41Å; E27-N143 PolarHBondContact OE1-ND2 3.43Å; E27-V144 HydrophobicContact CB-CG2 4.24Å; E27-V144 HydrophobicContact CG-CG2 3.92Å; E27-Y147 HydrophobicContact CG-CE2 3.86Å
28A98.7Very high98.3Very high75 Ų7548.4 Ų48.462%0.6225%0.25SS*.Hα-helixtrans-65.8-38.4178.800000112.7T26 S32T26-A28 PolarHBondContact O-N 3.12Å; A28-S32 PolarHBondContact O-N 3.07Å; A28-S32 VanDerWaalsContact O-N 3.07Å
29Q98.8Very high98.3Very high47 Ų4750.3 Ų50.322%0.2226%0.262CS..Hα-helixtrans-67.6-42.8174.9-73.4166.7-4800111.2W15 L25 T26 K31 S32 L33W15-Q29 HydrophobicContact CH2-CB 4.42Å; W15-Q29 HydrophobicContact CZ2-CB 4.04Å; W15-Q29 HydrophobicContact CZ2-CG 3.8Å; W15-Q29 VanDerWaalsContact NE1-NE2 3.19Å; L25-Q29 HydrophobicContact CB-CB 3.93Å; L25-Q29 HydrophobicContact CD1-CB 4.23Å; T26-Q29 WeakPolarHBondContact O-CB 3.47Å; T26-Q29 PolarHBondContact O-N 2.96Å; T26-Q29 VanDerWaalsContact OG1-CD 3.27Å; T26-Q29 VanDerWaalsContact OG1-CG 3.25Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.45Å; T26-Q29 PolarHBondContact OG1-N 2.93Å; T26-Q29 PolarHBondContact OG1-OE1 2.88Å; Q29-K31 VanDerWaalsContact C-N 3.32Å; Q29-K31 PolarHBondContact O-N 2.63Å; Q29-S32 PolarHBondContact O-N 3.18Å; Q29-L33 VanDerWaalsContact O-CB 3.31Å; Q29-L33 WeakPolarHBondContact O-CB 3.16Å; Q29-L33 PolarHBondContact O-N 2.81Å
30V98.9Very high98.3Very high0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-59.3-44.6175.4173.10000111L25 T26 E27 L33 C34 V144 Y147 F148L25-V30 HydrophobicContact CB-CG2 3.96Å; T26-V30 PolarHBondContact O-N 3.1Å; E27-V30 PolarHBondContact O-N 3.04Å; V30-L33 PolarHBondContact O-N 3.39Å; V30-C34 PolarHBondContact O-N 2.83Å; V30-C34 PolarHBondContact O-SG 3.25Å; V30-V144 HydrophobicContact CG1-CG1 3.98Å; V30-V144 HydrophobicContact CG1-CG2 4.49Å; V30-Y147 HydrophobicContact CG1-CD2 4.48Å; V30-F148 HydrophobicContact CG1-CD2 4.19Å; V30-F148 HydrophobicContact CG1-CE2 3.52Å; V30-F148 HydrophobicContact CG1-CZ 3.71Å
31K98.8Very high98.4Very high88 Ų8849.8 Ų49.838%0.38326%0.262SS..Hα-helixtrans-57.9-52.5176.3-174.5-175.5174.5-174.60111.6E27 Q29 L33 C34 E35 Y147E27-K31 PolarHBondContact O-N 2.9Å; Q29-K31 VanDerWaalsContact C-N 3.32Å; Q29-K31 PolarHBondContact O-N 2.63Å; K31-L33 VanDerWaalsContact C-N 3.3Å; K31-L33 PolarHBondContact O-N 3.25Å; K31-C34 PolarHBondContact O-N 3.47Å; K31-E35 WeakPolarHBondContact CE-OE1 3.41Å; K31-E35 WeakPolarHBondContact O-CG 3.5Å; K31-E35 PolarHBondContact O-N 3.27Å; K31-Y147 HydrophobicContact CB-CD2 3.88Å; K31-Y147 HydrophobicContact CB-CE1 4.45Å; K31-Y147 HydrophobicContact CB-CE2 3.72Å; K31-Y147 HydrophobicContact CB-CG 4.35Å; K31-Y147 HydrophobicContact CD-CE1 4.07Å; K31-Y147 HydrophobicContact CD-CE2 4.41Å; K31-Y147 HydrophobicContact CG-CD1 4.22Å; K31-Y147 HydrophobicContact CG-CD2 4.36Å; K31-Y147 HydrophobicContact CG-CE1 3.96Å; K31-Y147 HydrophobicContact CG-CE2 4.13Å; K31-Y147 HydrophobicContact CG-CG 4.43Å
32S98.6Very high98.5Very high37 Ų3746.3 Ų46.326%0.25925%0.251SS..Hα-helixtrans-57.9-43.1177.9177.70000111.8A28 Q29 C34 E35 K36A28-S32 PolarHBondContact O-N 3.07Å; A28-S32 VanDerWaalsContact O-N 3.07Å; Q29-S32 PolarHBondContact O-N 3.18Å; S32-C34 PolarHBondContact O-N 3.39Å; S32-E35 PolarHBondContact O-N 2.98Å; S32-K36 WeakPolarHBondContact O-CG 3.44Å; S32-K36 PolarHBondContact O-N 3.43Å
33L98.8Very high98.5Very high0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-60.9-45.3177178.161.8000112L12 W15 L25 Q29 V30 K31 E35 K36 A37 T100 V103 A104 V107L12-L33 HydrophobicContact CD2-CD1 4.14Å; W15-L33 HydrophobicContact CE3-CB 4.37Å; W15-L33 HydrophobicContact CE3-CD1 4.33Å; W15-L33 HydrophobicContact CZ3-CB 3.82Å; W15-L33 HydrophobicContact CZ3-CD1 4.19Å; L25-L33 HydrophobicContact CD1-CD2 4.25Å; Q29-L33 VanDerWaalsContact O-CB 3.31Å; Q29-L33 WeakPolarHBondContact O-CB 3.16Å; Q29-L33 PolarHBondContact O-N 2.81Å; V30-L33 PolarHBondContact O-N 3.39Å; K31-L33 VanDerWaalsContact C-N 3.3Å; K31-L33 PolarHBondContact O-N 3.25Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-E35 PolarHBondContact O-N 2.85Å; L33-K36 PolarHBondContact O-N 3.34Å; L33-A37 WeakPolarHBondContact O-CB 3.02Å; L33-A37 PolarHBondContact O-N 2.74Å; L33-T100 HydrophobicContact CD2-CG2 3.73Å; L33-V103 HydrophobicContact CD1-CG1 4.09Å; L33-V103 HydrophobicContact CD2-CB 4.28Å; L33-V103 HydrophobicContact CD2-CG1 4.08Å; L33-V103 HydrophobicContact CG-CB 4.48Å; L33-V103 HydrophobicContact CG-CG1 3.76Å; L33-A104 HydrophobicContact CD1-CB 4.22Å; L33-A104 HydrophobicContact CD2-CB 4.08Å; L33-V107 HydrophobicContact CD1-CB 4.24Å; L33-V107 HydrophobicContact CD1-CG2 3.85Å
34C98.9Very high98.5Very high3 Ų350 Ų502%0.0226%0.26CS..Hα-helixtrans-64.6-39.2178.4-67.30000111.8V30 K31 S32 A37 K38 L151V30-C34 PolarHBondContact O-N 2.83Å; V30-C34 PolarHBondContact O-SG 3.25Å; K31-C34 PolarHBondContact O-N 3.47Å; S32-C34 PolarHBondContact O-N 3.39Å; C34-A37 PolarHBondContact O-N 2.79Å; C34-K38 WeakPolarHBondContact O-CG 3.25Å; C34-K38 PolarHBondContact O-N 3.29Å; C34-L151 HydrophobicContact CB-CB 4.38Å; C34-L151 HydrophobicContact CB-CD2 4.36Å
35E98.7Very high98.6Very high101 Ų10148.6 Ų48.647%0.47226%0.258SS..Hα-helixtrans-61.6-47.5175.3-71.4170.5169.800111.1K31 S32 L33 A37 K38 D39K31-E35 WeakPolarHBondContact CE-OE1 3.41Å; K31-E35 WeakPolarHBondContact O-CG 3.5Å; K31-E35 PolarHBondContact O-N 3.27Å; S32-E35 PolarHBondContact O-N 2.98Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-E35 PolarHBondContact O-N 2.85Å; E35-A37 VanDerWaalsContact C-N 3.31Å; E35-A37 PolarHBondContact O-N 2.87Å; E35-K38 PolarHBondContact O-N 2.83Å; E35-D39 PolarHBondContact O-N 2.96Å
36K98.6Very high98.6Very high48 Ų4848.8 Ų48.821%0.20926%0.259CS..Hα-helixtrans-60-39.7175-68.5171-178.1-610112.7E8 S32 L33 D39 I40 V107E8-K36 WeakPolarHBondContact OE1-CD 3.24Å; E8-K36 IonicContact OE1-NZ 3.23Å; E8-K36 PolarHBondContact OE1-NZ 3.4Å; S32-K36 WeakPolarHBondContact O-CG 3.44Å; S32-K36 PolarHBondContact O-N 3.43Å; L33-K36 PolarHBondContact O-N 3.34Å; K36-D39 PolarHBondContact O-N 2.89Å; K36-I40 PolarHBondContact O-N 3.49Å; K36-V107 HydrophobicContact CB-CG1 3.86Å; K36-V107 HydrophobicContact CB-CG2 4.2Å; K36-V107 HydrophobicContact CD-CG1 4.36Å
37A98.8Very high98.6Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-67.8-40.3178.500000112.1L33 C34 E35 D39 I40 L41 V103 V107 L151L33-A37 WeakPolarHBondContact O-CB 3.02Å; L33-A37 PolarHBondContact O-N 2.74Å; C34-A37 PolarHBondContact O-N 2.79Å; E35-A37 VanDerWaalsContact C-N 3.31Å; E35-A37 PolarHBondContact O-N 2.87Å; A37-D39 VanDerWaalsContact C-N 3.31Å; A37-D39 PolarHBondContact O-N 2.74Å; A37-I40 PolarHBondContact O-N 2.8Å; A37-I40 VanDerWaalsContact O-N 3.14Å; A37-L41 HydrophobicContact CB-CD1 4.4Å; A37-L41 WeakPolarHBondContact O-CB 3.48Å; A37-L41 VanDerWaalsContact O-CG 3.27Å; A37-L41 WeakPolarHBondContact O-CG 3.27Å; A37-L41 PolarHBondContact O-N 3.05Å; A37-V103 HydrophobicContact CB-CG1 3.55Å; A37-V107 HydrophobicContact CB-CG2 3.72Å; A37-L151 HydrophobicContact CB-CD1 3.58Å; A37-L151 HydrophobicContact CB-CD2 4.09Å
38K98.7Very high98.6Very high46 Ų4644.4 Ų44.420%0.223%0.233CC..Hα-helixtrans-58.2-42.4174-73.6175.1-178.8-179.60112.1C34 E35 I40 L41 T42 D150 L151 Y154C34-K38 WeakPolarHBondContact O-CG 3.25Å; C34-K38 PolarHBondContact O-N 3.29Å; E35-K38 PolarHBondContact O-N 2.83Å; K38-I40 PolarHBondContact O-N 3.05Å; K38-L41 PolarHBondContact O-N 2.86Å; K38-T42 VanDerWaalsContact O-CB 3.29Å; K38-T42 WeakPolarHBondContact O-CB 3.33Å; K38-T42 WeakPolarHBondContact O-CG2 3.21Å; K38-T42 PolarHBondContact O-N 3.19Å; K38-D150 VanDerWaalsContact CE-C 3.49Å; K38-D150 WeakPolarHBondContact CE-O 3.45Å; K38-D150 VanDerWaalsContact NZ-CB 3.3Å; K38-D150 PolarHBondContact NZ-O 2.83Å; K38-L151 HydrophobicContact CG-CD1 3.73Å; K38-Y154 HydrophobicContact CB-CD1 4.35Å; K38-Y154 HydrophobicContact CB-CE1 4.42Å; K38-Y154 HydrophobicContact CB-CG 4.49Å; K38-Y154 HydrophobicContact CD-CD2 4.22Å; K38-Y154 HydrophobicContact CD-CE2 3.96Å; K38-Y154 HydrophobicContact CG-CD1 4.35Å; K38-Y154 HydrophobicContact CG-CD2 3.86Å; K38-Y154 HydrophobicContact CG-CE1 4.49Å; K38-Y154 HydrophobicContact CG-CE2 4.04Å; K38-Y154 HydrophobicContact CG-CG 4.04Å
39D98.2Very high98.6Very high105 Ų10545.6 Ų45.656%0.56123%0.229SC*.Hα-helixtrans-60.7-27.6178.2-75.7-18.1000113.7E35 K36 A37 K43E35-D39 PolarHBondContact O-N 2.96Å; K36-D39 PolarHBondContact O-N 2.89Å; A37-D39 VanDerWaalsContact C-N 3.31Å; A37-D39 PolarHBondContact O-N 2.74Å; D39-K43 WeakPolarHBondContact O-CE 3.39Å; D39-K43 PolarHBondContact O-NZ 2.84Å
40I98.5Very high98.6Very high33 Ų3344 Ų4417%0.16922%0.223CC..Hα-helixtrans-84.2-56.6175.2-64.2167.9000109.4K36 A37 K38 T42 K43 V107 K110K36-I40 PolarHBondContact O-N 3.49Å; A37-I40 PolarHBondContact O-N 2.8Å; A37-I40 VanDerWaalsContact O-N 3.14Å; K38-I40 PolarHBondContact O-N 3.05Å; I40-T42 VanDerWaalsContact C-N 3.28Å; I40-T42 PolarHBondContact O-N 3.07Å; I40-K43 WeakPolarHBondContact O-CB 3.12Å; I40-K43 PolarHBondContact O-N 2.8Å; I40-V107 HydrophobicContact CD1-CB 4.24Å; I40-V107 HydrophobicContact CD1-CG1 4.1Å; I40-V107 HydrophobicContact CD1-CG2 4.24Å; I40-K110 HydrophobicContact CD1-CB 4.29Å; I40-K110 HydrophobicContact CG2-CB 4.29Å
41L98.7Very high98.6Very high0 Ų053.9 Ų53.90%026%0.26CS..Hα-helixtrans-65.4-28.3-171.6-65.7168.5000112.9A37 K38 K43 E44 I115 L151 L155 R187A37-L41 HydrophobicContact CB-CD1 4.4Å; A37-L41 WeakPolarHBondContact O-CB 3.48Å; A37-L41 VanDerWaalsContact O-CG 3.27Å; A37-L41 WeakPolarHBondContact O-CG 3.27Å; A37-L41 PolarHBondContact O-N 3.05Å; K38-L41 PolarHBondContact O-N 2.86Å; L41-K43 PolarHBondContact O-N 3.32Å; L41-K43 VanDerWaalsContact O-N 3.14Å; L41-E44 PolarHBondContact O-N 3.31Å; L41-E44 VanDerWaalsContact O-N 3.1Å; L41-I115 HydrophobicContact CD2-CG1 4.47Å; L41-L151 HydrophobicContact CD1-CD1 3.67Å; L41-L151 HydrophobicContact CD1-CG 4.48Å; L41-L155 HydrophobicContact CD1-CD2 3.94Å; L41-L155 HydrophobicContact CD2-CD2 4.46Å; L41-R187 PolarHBondContact O-NH2 3.17Å
42T98.1Very high98.5Very high71 Ų7150.7 Ų50.744%0.43625%0.249SC..THydrogen-bonded Turntrans-62.1-19.3174.3-166.80000113.5K38 I40K38-T42 VanDerWaalsContact O-CB 3.29Å; K38-T42 WeakPolarHBondContact O-CB 3.33Å; K38-T42 WeakPolarHBondContact O-CG2 3.21Å; K38-T42 PolarHBondContact O-N 3.19Å; I40-T42 VanDerWaalsContact C-N 3.28Å; I40-T42 PolarHBondContact O-N 3.07Å
43K98.1Very high98.5Very high168 Ų16851.9 Ų51.973%0.7326%0.256SS*.THydrogen-bonded Turntrans-96.6-7.2179.7-60.6168.8-175.8132.10112.4D39 I40 L41D39-K43 WeakPolarHBondContact O-CE 3.39Å; D39-K43 PolarHBondContact O-NZ 2.84Å; I40-K43 WeakPolarHBondContact O-CB 3.12Å; I40-K43 PolarHBondContact O-N 2.8Å; L41-K43 PolarHBondContact O-N 3.32Å; L41-K43 VanDerWaalsContact O-N 3.14Å
44E98.5Very high98.4Very high24 Ų2452.1 Ų52.111%0.11226%0.257CS..SBendtrans-84.8152.6-178.3-66.1-168.6173.800111.4L41 K106 P156 R187L41-E44 PolarHBondContact O-N 3.31Å; L41-E44 VanDerWaalsContact O-N 3.1Å; E44-K106 VanDerWaalsContact CD-NZ 3.27Å; E44-K106 WeakPolarHBondContact OE1-CE 3.27Å; E44-K106 IonicContact OE1-NZ 3.39Å; E44-K106 PolarHBondContact OE1-NZ 3.15Å; E44-K106 IonicContact OE2-NZ 3.35Å; E44-K106 PolarHBondContact OE2-NZ 3.48Å; E44-K106 VanDerWaalsContact OE2-NZ 3.14Å; E44-P156 HydrophobicContact CB-CG 3.88Å; E44-R187 PolarHBondContact O-NH1 2.91Å; E44-R187 PolarHBondContact O-NH2 3.46Å
45S98.4Very high98.4Very high42 Ų4252.2 Ų52.229%0.29426%0.258SS..  trans-83.5154.3179.7169.40000110.2V47 Q48 P156S45-V47 VanDerWaalsContact CB-O 3.25Å; S45-V47 WeakPolarHBondContact CB-O 3.03Å; S45-V47 PolarHBondContact O-N 3.26Å; S45-V47 PolarHBondContact OG-N 3.1Å; S45-V47 PolarHBondContact OG-O 2.95Å; S45-Q48 VanDerWaalsContact N-OE1 3.09Å; S45-P156 WeakPolarHBondContact O-CB 3.43Å
46N98.8Very high98.4Very high5 Ų547.4 Ų47.43%0.02724%0.235CC..SBendtrans-62.1-26.6168.4-69.6-23000111.9L157 T158 I182 L185 R187N46-L157 HydrophobicContact CB-CD1 4.43Å; N46-L157 PolarHBondContact O-N 2.96Å; N46-T158 CarbonylContact O-C 3.58Å; N46-T158 WeakPolarHBondContact O-CA 3.34Å; N46-T158 PolarHBondContact O-N 2.99Å; N46-T158 PolarHBondContact O-OG1 3.34Å; N46-T158 VanDerWaalsContact O-OG1 3.05Å; N46-I182 HydrophobicContact CB-CG2 4Å; N46-I182 VanDerWaalsContact CB-O 3.24Å; N46-I182 WeakPolarHBondContact CB-O 3.44Å; N46-I182 PolarHBondContact ND2-O 3.29Å; N46-L185 PolarHBondContact ND2-O 3.04Å; N46-R187 WeakPolarHBondContact OD1-CB 3.14Å; N46-R187 WeakPolarHBondContact OD1-CD 3.25Å; N46-R187 WeakPolarHBondContact OD1-CG 3.37Å; N46-R187 PolarHBondContact OD1-NH1 3.37Å
47V98.8Very high98.5Very high0 Ų045.1 Ų45.10%023%0.225CC..EExtended strand (participates in β ladder)trans-109.587.2168.3-174.20000106.9S45 T158 L160 L179 I182 R183S45-V47 VanDerWaalsContact CB-O 3.25Å; S45-V47 WeakPolarHBondContact CB-O 3.03Å; S45-V47 PolarHBondContact O-N 3.26Å; S45-V47 PolarHBondContact OG-N 3.1Å; S45-V47 PolarHBondContact OG-O 2.95Å; V47-T158 WeakPolarHBondContact CA-OG1 3.49Å; V47-L160 HydrophobicContact CG1-CB 3.79Å; V47-L160 HydrophobicContact CG1-CD2 4.47Å; V47-L179 HydrophobicContact CG2-CB 4.45Å; V47-I182 HydrophobicContact CG2-CB 3.68Å; V47-I182 HydrophobicContact CG2-CD1 4.47Å; V47-I182 HydrophobicContact CG2-CG2 3.65Å; V47-R183 HydrophobicContact CB-CG 3.96Å; V47-R183 HydrophobicContact CG2-CG 3.69Å
48Q98.7Very high98.4Very high39 Ų3945.1 Ų45.118%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-77.4124-175.1-176.958.419.600110.8S45 V50 T114 P156 T158 A159 L160S45-Q48 VanDerWaalsContact N-OE1 3.09Å; Q48-V50 PolarHBondContact O-N 3.32Å; Q48-T114 HydrophobicContact CB-CG2 4.43Å; Q48-T114 HydrophobicContact CG-CG2 4.01Å; Q48-P156 HydrophobicContact CB-CB 4.28Å; Q48-P156 HydrophobicContact CB-CG 4.47Å; Q48-T158 PolarHBondContact N-O 2.95Å; Q48-A159 CarbonylContact O-C 3.51Å; Q48-A159 WeakPolarHBondContact O-CA 3.37Å; Q48-A159 WeakPolarHBondContact O-CB 3.35Å; Q48-L160 PolarHBondContact O-N 3.44Å
49N98.5Very high98.4Very high100 Ų10043 Ų4354%0.53522%0.216SC..EExtended strand (participates in β ladder)trans-73.2130.8177.6-67.8-32000110.3
50V98.5Very high98.5Very high14 Ų1438.1 Ų38.19%0.08519%0.19CC..EExtended strand (participates in β ladder)trans-127.1143.7178.5178.90000108.3Q48 V54 L83 T114 A159 L160 V161 D162Q48-V50 PolarHBondContact O-N 3.32Å; V50-V54 HydrophobicContact CG1-CB 4.2Å; V50-V54 HydrophobicContact CG1-CG1 4.17Å; V50-V54 HydrophobicContact CG1-CG2 3.9Å; V50-L83 HydrophobicContact CG2-CD1 4.4Å; V50-T114 HydrophobicContact CG2-CG2 4.03Å; V50-A159 HydrophobicContact CG2-CB 3.94Å; V50-L160 PolarHBondContact N-O 3Å; V50-V161 HydrophobicContact CB-CG2 4.16Å; V50-V161 HydrophobicContact CG1-CG2 4.28Å; V50-V161 WeakPolarHBondContact O-CA 3.27Å; V50-D162 PolarHBondContact O-N 2.89Å
51R97.9Very high98.4Very high207 Ų20736.7 Ų36.778%0.78118%0.183SC*.  trans-107142.9178.4-66-178-178167.10.7110.7D162R51-D162 WeakPolarHBondContact CA-OD1 3.48Å
52S97.6Very high98.4Very high21 Ų2136.7 Ų36.715%0.14718%0.183CC..SBendtrans-67.1155.1161.460.70000111.3D162 D281S52-D162 WeakPolarHBondContact CB-OD2 3.19Å; S52-D162 PolarHBondContact N-OD1 2.81Å; S52-D162 PolarHBondContact N-OD2 2.87Å; S52-D162 PolarHBondContact OG-OD2 3.23Å; S52-D281 WeakPolarHBondContact CB-O 3.16Å; S52-D281 PolarHBondContact OG-O 3.13Å
53P97.9Very high98.3Very high63 Ų6333.5 Ų33.541%0.40916%0.163SC..SBendcis-74.9142.1-4.432.5-30.4000111N81 L280 D282P53-N81 WeakPolarHBondContact O-CB 3.21Å; P53-N81 PolarHBondContact O-ND2 2.96Å; P53-L280 CarbonylContact C-O 3.53Å; P53-L280 WeakPolarHBondContact CA-O 3.24Å; P53-D282 VanDerWaalsContact CD-OD1 3.27Å; P53-D282 WeakPolarHBondContact CD-OD1 3.35Å
54V98.6Very high98.3Very high5 Ų525.5 Ų25.53%0.0313%0.128CC..EExtended strand (participates in β ladder)trans-148.7141.9-179.664.60000111.6V50 V56 N81 L83 V161 L280V50-V54 HydrophobicContact CG1-CB 4.2Å; V50-V54 HydrophobicContact CG1-CG1 4.17Å; V50-V54 HydrophobicContact CG1-CG2 3.9Å; V54-V56 HydrophobicContact CG1-CG2 4.46Å; V54-N81 HydrophobicContact CB-CB 4.41Å; V54-N81 HydrophobicContact CG2-CB 4.29Å; V54-L83 HydrophobicContact CG2-CB 3.94Å; V54-V161 HydrophobicContact CG1-CG1 3.76Å; V54-V161 HydrophobicContact CG1-CG2 4.23Å; V54-L280 HydrophobicContact CG1-CB 4.17Å; V54-L280 HydrophobicContact CG1-CD1 4.05Å; V54-L280 PolarHBondContact N-O 3.17Å; V54-L280 PolarHBondContact O-N 2.97Å
55T98.6Very high98.3Very high5 Ų527.9 Ų27.93%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-98.2118.3171.3-54.70000109.5T80 N81 Y82 L83 L277 E279T55-T80 WeakPolarHBondContact OG1-CG2 3.16Å; T55-N81 PolarHBondContact N-O 3.15Å; T55-Y82 HydrophobicContact CG2-CD1 4.09Å; T55-Y82 HydrophobicContact CG2-CE1 3.68Å; T55-Y82 WeakPolarHBondContact O-CA 3.32Å; T55-L83 PolarHBondContact O-N 2.76Å; T55-L277 HydrophobicContact CG2-CB 3.89Å; T55-L277 HydrophobicContact CG2-CD1 4.18Å; T55-E279 HydrophobicContact CG2-CG 4.43Å
56V98.8Very high98.2Very high0 Ų026.4 Ų26.40%013%0.128CC..EExtended strand (participates in β ladder)trans-93.2130.3178.8-170.80000109.7V54 L83 M85 I261 M278 L280V54-V56 HydrophobicContact CG1-CG2 4.46Å; V56-L83 CarbonylContact C-O 3.27Å; V56-L83 WeakPolarHBondContact CA-O 3.26Å; V56-L83 HydrophobicContact CG1-CD2 4.22Å; V56-L83 HydrophobicContact CG1-CG 4.38Å; V56-L83 HydrophobicContact CG2-CB 4.45Å; V56-L83 HydrophobicContact CG2-CD2 4.17Å; V56-M85 HydrophobicContact CG1-CE 3.84Å; V56-M85 HydrophobicContact CG1-CG 4.03Å; V56-M85 HydrophobicContact CG1-SD 3.72Å; V56-I261 HydrophobicContact CB-CD1 4.4Å; V56-I261 HydrophobicContact CG1-CD1 4.21Å; V56-M278 HydrophobicContact CB-CB 4.32Å; V56-M278 HydrophobicContact CB-CE 3.96Å; V56-M278 HydrophobicContact CG1-CE 4.36Å; V56-M278 HydrophobicContact CG2-CE 3.78Å; V56-M278 PolarHBondContact N-O 2.85Å; V56-M278 PolarHBondContact O-N 2.76Å; V56-L280 HydrophobicContact CG2-CD1 3.96Å
57C98.8Very high98.2Very high0 Ų026.2 Ų26.20%013%0.127CC..EExtended strand (participates in β ladder)trans-123.5137.6-176.3-530000110.2L70 Y82 L83 F84 M85 L277C57-L70 HydrophobicContact CB-CD1 4.37Å; C57-Y82 VanDerWaalsContact SG-CD1 3.59Å; C57-L83 PolarHBondContact N-O 3.03Å; C57-F84 HydrophobicContact CB-CD1 3.5Å; C57-F84 VanDerWaalsContact CB-CD1 3.5Å; C57-F84 HydrophobicContact CB-CE1 3.61Å; C57-F84 HydrophobicContact CB-CG 4.1Å; C57-F84 HydrophobicContact CB-CZ 4.29Å; C57-M85 WeakPolarHBondContact O-CB 3.5Å; C57-M85 WeakPolarHBondContact O-CG 3.46Å; C57-M85 PolarHBondContact O-N 3.2Å; C57-L277 HydrophobicContact CB-CD2 4.2Å
58G98.7Very high98.1Very high0 Ų028 Ų280%014%0.135CC..  trans-88.1-147.4171.300000112.2I261 S263G58-I261 WeakPolarHBondContact CA-O 3.45Å; G58-S263 PolarHBondContact N-OG 2.95Å
59D98.8Very high98Very high1 Ų128 Ų281%0.00514%0.135CC..BIsolated β-bridgetrans-59.8142.9-176.8-46.663.2000112.3H61 D87 H169 A242 H243 F262 S263 A264D59-H61 IonicContact OD2-NE2 2.73Å; D59-D87 HydrophobicContact CB-CB 4.19Å; D59-H169 IonicContact OD2-CE1 3.97Å; D59-H169 PolarHBondContact OD2-CE1 3.07Å; D59-A242 WeakPolarHBondContact OD1-CB 3.49Å; D59-H243 PolarHBondContact OD1-N 2.96Å; D59-H243 WeakPolarHBondContact OD2-CA 3.41Å; D59-H243 PolarHBondContact OD2-N 3.32Å; D59-F262 HydrophobicContact CB-CD2 3.8Å; D59-F262 HydrophobicContact CB-CE2 3.49Å; D59-F262 VanDerWaalsContact CB-CE2 3.49Å; D59-F262 HydrophobicContact CB-CG 4.46Å; D59-F262 HydrophobicContact CB-CZ 3.9Å; D59-F262 VanDerWaalsContact CG-CD2 3.47Å; D59-F262 WeakPolarHBondContact OD1-CD2 3.38Å; D59-F262 WeakPolarHBondContact OD1-CE2 3.15Å; D59-S263 CarbonylContact O-C 3.51Å; D59-S263 WeakPolarHBondContact O-CA 3.32Å; D59-S263 WeakPolarHBondContact O-CB 3.07Å; D59-S263 PolarHBondContact O-N 3.37Å; D59-A264 PolarHBondContact O-N 2.96Å
60V98.4Very high97.9Very high3 Ų323.2 Ų23.22%0.01811%0.11CC..  trans-126.8-34.5178179.20000112.4G62 Q63 M67 F84 D87 T98V60-G62 PolarHBondContact O-N 3.07Å; V60-Q63 WeakPolarHBondContact O-CB 3.15Å; V60-Q63 PolarHBondContact O-N 2.93Å; V60-Q63 VanDerWaalsContact O-N 3.15Å; V60-M67 HydrophobicContact CG1-CB 3.86Å; V60-M67 HydrophobicContact CG1-CG 4.22Å; V60-M67 HydrophobicContact CG1-SD 4.21Å; V60-F84 HydrophobicContact CG2-CD1 4.36Å; V60-F84 HydrophobicContact CG2-CE1 4.23Å; V60-D87 PolarHBondContact N-O 3.29Å; V60-T98 HydrophobicContact CG1-CG2 3.85Å
61H97.9Very high97.8Very high3 Ų322.7 Ų22.71%0.01411%0.106CC..THydrogen-bonded Turntrans52.152.2167.8-82.4-55.9000115.6D59 Q63 D87 V89 D90 R91 G92 H120 Y267D59-H61 IonicContact OD2-NE2 2.73Å; H61-Q63 PolarHBondContact O-N 3.24Å; H61-D87 IonicContact CE1-OD2 3.73Å; H61-D87 PolarHBondContact N-O 3Å; H61-D87 IonicContact NE2-OD2 2.61Å; H61-V89 PolarHBondContact ND1-O 3.45Å; H61-D90 CarbonylContact C-O 3.47Å; H61-D90 VanDerWaalsContact CA-O 3.29Å; H61-D90 WeakPolarHBondContact CA-O 3.4Å; H61-D90 WeakPolarHBondContact CB-O 3.22Å; H61-R91 HydrophobicContact CB-CB 4Å; H61-G92 WeakPolarHBondContact O-CA 3.4Å; H61-G92 PolarHBondContact O-N 3.18Å; H61-G92 VanDerWaalsContact O-N 3.07Å; H61-H120 AromaticContact CE1-CD2 3.54Å; H61-H120 AromaticContact CE1-CE1 3.82Å; H61-H120 AromaticContact CE1-CG 3.75Å; H61-H120 AromaticContact CE1-ND1 3.92Å; H61-H120 AromaticContact CE1-NE2 3.6Å; H61-Y267 HydrophobicContact CB-CD2 4.48Å; H61-Y267 HydrophobicContact CB-CE2 3.83Å; H61-Y267 AromaticContact CD2-CE2 3.14Å; H61-Y267 WeakPolarHBondContact CD2-CE2 3.5Å; H61-Y267 AromaticContact CD2-CZ 3.61Å; H61-Y267 PolarHBondContact CD2-OH 2.91Å; H61-Y267 AromaticContact CG-CE2 3.62Å; H61-Y267 AromaticContact NE2-CE2 3.76Å; H61-Y267 AromaticContact NE2-CZ 3.7Å; H61-Y267 PolarHBondContact NE2-OH 3.25Å
62G97.8Very high97.7Very high0 Ų020.6 Ų20.60%010%0.099CC..THydrogen-bonded Turntrans60.913.2176.300000114.9V60 F64 Y88 Y94V60-G62 PolarHBondContact O-N 3.07Å; G62-F64 PolarHBondContact O-N 3.29Å; G62-Y88 PolarHBondContact N-O 3.48Å; G62-Y94 CarbonylContact O-C 3.48Å; G62-Y94 WeakPolarHBondContact O-CA 3.41Å; G62-Y94 WeakPolarHBondContact O-CB 3.48Å; G62-Y94 PolarHBondContact O-N 3.19Å; G62-Y94 VanDerWaalsContact O-N 3.07Å
63Q97.3Very high97.6Very high3 Ų322 Ų221%0.01410%0.104CC..  trans-83.562.6174.8-67.3-171.6-126.200110.4V60 H61 H65 D66 M67 P265 Y269V60-Q63 WeakPolarHBondContact O-CB 3.15Å; V60-Q63 PolarHBondContact O-N 2.93Å; V60-Q63 VanDerWaalsContact O-N 3.15Å; H61-Q63 PolarHBondContact O-N 3.24Å; Q63-H65 VanDerWaalsContact C-N 3.3Å; Q63-H65 PolarHBondContact O-N 3.2Å; Q63-H65 VanDerWaalsContact O-N 3.16Å; Q63-D66 HydrophobicContact CB-CB 4.09Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.11Å; Q63-D66 PolarHBondContact NE2-OD2 3.17Å; Q63-D66 WeakPolarHBondContact O-CA 3.44Å; Q63-D66 WeakPolarHBondContact O-CB 3.43Å; Q63-D66 PolarHBondContact O-N 3.05Å; Q63-M67 PolarHBondContact O-N 3.03Å; Q63-P265 PolarHBondContact NE2-O 3.46Å; Q63-Y269 HydrophobicContact CG-CE1 3.96Å
64F97.6Very high97.4Very high1 Ų119.3 Ų19.30%0.0049%0.088CC..Hα-helixtrans-50.2-44.9-171.3177.5-90000114L19 C22 G62 D66 M67 M68 Y94 E97 T98 L101L19-F64 WeakPolarHBondContact O-CE2 3.13Å; L19-F64 WeakPolarHBondContact O-CZ 3.47Å; C22-F64 HydrophobicContact CB-CD1 3.92Å; C22-F64 HydrophobicContact CB-CE1 3.58Å; C22-F64 HydrophobicContact CB-CZ 4.21Å; C22-F64 VanDerWaalsContact SG-CD1 3.51Å; G62-F64 PolarHBondContact O-N 3.29Å; F64-D66 VanDerWaalsContact C-N 3.3Å; F64-D66 PolarHBondContact O-N 3.41Å; F64-M67 HydrophobicContact CD2-CE 3.98Å; F64-M67 HydrophobicContact CE2-CE 4.18Å; F64-M67 CarbonylContact O-C 3.59Å; F64-M67 WeakPolarHBondContact O-CA 3.48Å; F64-M67 WeakPolarHBondContact O-CB 3.17Å; F64-M67 PolarHBondContact O-N 3.17Å; F64-M67 VanDerWaalsContact O-N 3.14Å; F64-M68 HydrophobicContact CD1-CG 4.05Å; F64-M68 HydrophobicContact CD2-CE 4.31Å; F64-M68 HydrophobicContact CE1-CE 4.18Å; F64-M68 HydrophobicContact CE1-CG 3.5Å; F64-M68 HydrophobicContact CE1-SD 3.9Å; F64-M68 HydrophobicContact CE2-CE 3.73Å; F64-M68 HydrophobicContact CE2-SD 4.34Å; F64-M68 HydrophobicContact CZ-CE 3.62Å; F64-M68 HydrophobicContact CZ-CG 3.87Å; F64-M68 HydrophobicContact CZ-SD 3.61Å; F64-M68 WeakPolarHBondContact O-CG 3.37Å; F64-M68 PolarHBondContact O-N 2.88Å; F64-Y94 VanDerWaalsContact CB-CB 3.46Å; F64-Y94 HydrophobicContact CB-CD2 4.32Å; F64-Y94 HydrophobicContact CB-CG 4.09Å; F64-E97 HydrophobicContact CD2-CB 3.65Å; F64-E97 HydrophobicContact CE2-CB 4.01Å; F64-E97 HydrophobicContact CG-CB 4.21Å; F64-T98 WeakPolarHBondContact CA-OG1 3.39Å; F64-T98 PolarHBondContact N-OG1 2.73Å; F64-L101 HydrophobicContact CE2-CD2 3.81Å; F64-L101 HydrophobicContact CZ-CD2 4.29Å
65H96.9Very high97.3Very high73 Ų7320.2 Ų20.234%0.33810%0.098SC..Hα-helixtrans-67.6-31.9-179-63.9-57.2000112.8Q63 M68 E69 Y94 A294Q63-H65 VanDerWaalsContact C-N 3.3Å; Q63-H65 PolarHBondContact O-N 3.2Å; Q63-H65 VanDerWaalsContact O-N 3.16Å; H65-M68 WeakPolarHBondContact O-CB 3.4Å; H65-M68 PolarHBondContact O-N 3.27Å; H65-E69 PolarHBondContact O-N 2.76Å; H65-E69 VanDerWaalsContact O-N 3.14Å; H65-Y94 AromaticContact CD2-CE2 3.83Å; H65-Y94 AromaticContact NE2-CE2 3.86Å; H65-Y94 AromaticContact NE2-CZ 3.94Å; H65-A294 HydrophobicContact CB-CB 4.13Å; H65-A294 WeakPolarHBondContact O-CB 3.45Å
66D97.5Very high97.1Very high12 Ų1225.5 Ų25.56%0.06412%0.121CC..Hα-helixtrans-72.1-33.8173.3-58-49.4000110.6Q63 F64 M68 E69 L70 P265 P293 A294Q63-D66 HydrophobicContact CB-CB 4.09Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.11Å; Q63-D66 PolarHBondContact NE2-OD2 3.17Å; Q63-D66 WeakPolarHBondContact O-CA 3.44Å; Q63-D66 WeakPolarHBondContact O-CB 3.43Å; Q63-D66 PolarHBondContact O-N 3.05Å; F64-D66 VanDerWaalsContact C-N 3.3Å; F64-D66 PolarHBondContact O-N 3.41Å; D66-M68 VanDerWaalsContact C-N 3.29Å; D66-M68 PolarHBondContact O-N 2.72Å; D66-E69 WeakPolarHBondContact O-CB 3.38Å; D66-E69 PolarHBondContact O-N 3.02Å; D66-L70 WeakPolarHBondContact O-CB 3.29Å; D66-L70 PolarHBondContact O-N 2.85Å; D66-P265 HydrophobicContact CB-CG 3.74Å; D66-P293 WeakPolarHBondContact OD1-CA 3.37Å; D66-A294 WeakPolarHBondContact OD1-CB 3.34Å; D66-A294 PolarHBondContact OD1-N 2.96Å
67M97.5Very high96.8Very high1 Ų126 Ų261%0.00512%0.124CC..Hα-helixtrans-65-31.5169.4-168.4179.561.500112.5V60 Q63 F64 E69 L70 F71 T98 L101 L102V60-M67 HydrophobicContact CG1-CB 3.86Å; V60-M67 HydrophobicContact CG1-CG 4.22Å; V60-M67 HydrophobicContact CG1-SD 4.21Å; Q63-M67 PolarHBondContact O-N 3.03Å; F64-M67 HydrophobicContact CD2-CE 3.98Å; F64-M67 HydrophobicContact CE2-CE 4.18Å; F64-M67 CarbonylContact O-C 3.59Å; F64-M67 WeakPolarHBondContact O-CA 3.48Å; F64-M67 WeakPolarHBondContact O-CB 3.17Å; F64-M67 PolarHBondContact O-N 3.17Å; F64-M67 VanDerWaalsContact O-N 3.14Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-L70 WeakPolarHBondContact O-CB 3.04Å; M67-L70 PolarHBondContact O-N 3.14Å; M67-F71 HydrophobicContact CE-CE2 4.16Å; M67-F71 HydrophobicContact CG-CD2 4.34Å; M67-F71 HydrophobicContact CG-CE2 3.74Å; M67-F71 HydrophobicContact CG-CZ 3.98Å; M67-F71 VanDerWaalsContact O-CD2 3.22Å; M67-F71 WeakPolarHBondContact O-CD2 3.42Å; M67-F71 WeakPolarHBondContact O-CG 3.44Å; M67-F71 PolarHBondContact O-N 2.85Å; M67-F71 VanDerWaalsContact O-N 3.09Å; M67-F71 HydrophobicContact SD-CE2 4.1Å; M67-F71 HydrophobicContact SD-CZ 4.17Å; M67-T98 HydrophobicContact CE-CG2 4.03Å; M67-T98 HydrophobicContact SD-CG2 3.87Å; M67-L101 HydrophobicContact CE-CB 4.3Å; M67-L101 HydrophobicContact CE-CD2 3.85Å; M67-L101 HydrophobicContact CE-CG 4.38Å; M67-L102 HydrophobicContact SD-CD1 4.25Å; M67-L102 HydrophobicContact SD-CD2 3.89Å; M67-L102 HydrophobicContact SD-CG 3.94Å
68M97.3Very high96.6Very high37 Ų3728.5 Ų28.518%0.18214%0.14CC..Hα-helixtrans-68.1-38173.6-65.5-55.296.800111.3Y20 F64 H65 D66 F71 R72 L101Y20-M68 HydrophobicContact CD1-CE 4.33Å; Y20-M68 HydrophobicContact CD1-SD 3.56Å; Y20-M68 VanDerWaalsContact CD1-SD 3.56Å; Y20-M68 HydrophobicContact CE1-CE 4.41Å; Y20-M68 HydrophobicContact CE1-SD 4.05Å; F64-M68 HydrophobicContact CD1-CG 4.05Å; F64-M68 HydrophobicContact CD2-CE 4.31Å; F64-M68 HydrophobicContact CE1-CE 4.18Å; F64-M68 HydrophobicContact CE1-CG 3.5Å; F64-M68 HydrophobicContact CE1-SD 3.9Å; F64-M68 HydrophobicContact CE2-CE 3.73Å; F64-M68 HydrophobicContact CE2-SD 4.34Å; F64-M68 HydrophobicContact CZ-CE 3.62Å; F64-M68 HydrophobicContact CZ-CG 3.87Å; F64-M68 HydrophobicContact CZ-SD 3.61Å; F64-M68 WeakPolarHBondContact O-CG 3.37Å; F64-M68 PolarHBondContact O-N 2.88Å; H65-M68 WeakPolarHBondContact O-CB 3.4Å; H65-M68 PolarHBondContact O-N 3.27Å; D66-M68 VanDerWaalsContact C-N 3.29Å; D66-M68 PolarHBondContact O-N 2.72Å; M68-F71 HydrophobicContact CE-CD2 3.63Å; M68-F71 HydrophobicContact CE-CE2 3.73Å; M68-F71 PolarHBondContact O-N 3.09Å; M68-F71 HydrophobicContact SD-CD2 4.45Å; M68-R72 PolarHBondContact O-N 3.24Å; M68-L101 HydrophobicContact CE-CD2 3.42Å; M68-L101 VanDerWaalsContact CE-CD2 3.42Å; M68-L101 HydrophobicContact SD-CD2 4.38Å
69E96Very high96.5Very high39 Ų3935.6 Ų35.618%0.18218%0.178CC..Hα-helixtrans-66-41.8174.2-172.763.4-17600111.4H65 D66 M67 F71 R72 I73 F291 A294H65-E69 PolarHBondContact O-N 2.76Å; H65-E69 VanDerWaalsContact O-N 3.14Å; D66-E69 WeakPolarHBondContact O-CB 3.38Å; D66-E69 PolarHBondContact O-N 3.02Å; M67-E69 VanDerWaalsContact C-N 3.33Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 2.86Å; E69-R72 VanDerWaalsContact CD-NE 3.25Å; E69-R72 WeakPolarHBondContact O-CA 3.16Å; E69-R72 VanDerWaalsContact O-CB 3.3Å; E69-R72 WeakPolarHBondContact O-CB 3.46Å; E69-R72 PolarHBondContact O-N 2.95Å; E69-R72 IonicContact OE1-CZ 3.01Å; E69-R72 VanDerWaalsContact OE1-CZ 3.23Å; E69-R72 IonicContact OE1-NE 2.86Å; E69-R72 PolarHBondContact OE1-NE 2.95Å; E69-R72 VanDerWaalsContact OE1-NE 3.07Å; E69-R72 IonicContact OE1-NH2 3.05Å; E69-R72 PolarHBondContact OE1-NH2 3.1Å; E69-R72 WeakPolarHBondContact OE2-CD 3.45Å; E69-R72 IonicContact OE2-CZ 3.68Å; E69-R72 IonicContact OE2-NE 3.4Å; E69-R72 PolarHBondContact OE2-NE 3.14Å; E69-R72 IonicContact OE2-NH2 2.61Å; E69-I73 HydrophobicContact CG-CD1 3.91Å; E69-I73 WeakPolarHBondContact O-CG1 3.33Å; E69-I73 PolarHBondContact O-N 2.84Å; E69-F291 HydrophobicContact CB-CD2 4.46Å; E69-F291 HydrophobicContact CG-CD2 4Å; E69-A294 HydrophobicContact CB-CB 4.32Å
70L97.2Very high96.4Very high0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-51.3-48.7170.2178164.2000111.7C57 D66 M67 R72 I73 G74 Y82 F84 L277 F291C57-L70 HydrophobicContact CB-CD1 4.37Å; D66-L70 WeakPolarHBondContact O-CB 3.29Å; D66-L70 PolarHBondContact O-N 2.85Å; M67-L70 WeakPolarHBondContact O-CB 3.04Å; M67-L70 PolarHBondContact O-N 3.14Å; L70-R72 VanDerWaalsContact C-N 3.33Å; L70-R72 PolarHBondContact O-N 2.92Å; L70-I73 PolarHBondContact O-N 2.79Å; L70-G74 PolarHBondContact O-N 2.85Å; L70-Y82 HydrophobicContact CD2-CD1 4.47Å; L70-Y82 HydrophobicContact CD2-CE1 3.68Å; L70-F84 HydrophobicContact CD1-CE1 4.21Å; L70-F84 HydrophobicContact CD2-CZ 4.21Å; L70-L277 HydrophobicContact CD1-CD2 3.39Å; L70-L277 HydrophobicContact CD2-CD1 4.23Å; L70-L277 HydrophobicContact CD2-CD2 4.17Å; L70-L277 HydrophobicContact CG-CD1 3.76Å; L70-L277 HydrophobicContact CG-CD2 3.4Å; L70-L277 VanDerWaalsContact CG-CD2 3.4Å; L70-L277 HydrophobicContact CG-CG 4.15Å; L70-F291 HydrophobicContact CB-CE1 4.41Å; L70-F291 HydrophobicContact CB-CE2 4.5Å; L70-F291 HydrophobicContact CB-CZ 3.91Å; L70-F291 HydrophobicContact CG-CZ 4.49Å
71F97.1Very high96.4Very high2 Ų238.1 Ų38.11%0.00919%0.193CC..Hα-helixtrans-70.7-27176.9-64.5-42.1000113.8Y20 M67 M68 E69 I73 G75 Y82 F84 L101 L102 M105Y20-F71 HydrophobicContact CE1-CD2 4.11Å; M67-F71 HydrophobicContact CE-CE2 4.16Å; M67-F71 HydrophobicContact CG-CD2 4.34Å; M67-F71 HydrophobicContact CG-CE2 3.74Å; M67-F71 HydrophobicContact CG-CZ 3.98Å; M67-F71 VanDerWaalsContact O-CD2 3.22Å; M67-F71 WeakPolarHBondContact O-CD2 3.42Å; M67-F71 WeakPolarHBondContact O-CG 3.44Å; M67-F71 PolarHBondContact O-N 2.85Å; M67-F71 VanDerWaalsContact O-N 3.09Å; M67-F71 HydrophobicContact SD-CE2 4.1Å; M67-F71 HydrophobicContact SD-CZ 4.17Å; M68-F71 HydrophobicContact CE-CD2 3.63Å; M68-F71 HydrophobicContact CE-CE2 3.73Å; M68-F71 PolarHBondContact O-N 3.09Å; M68-F71 HydrophobicContact SD-CD2 4.45Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 2.86Å; F71-I73 VanDerWaalsContact C-N 3.3Å; F71-G75 CarbonylContact O-C 3.19Å; F71-G75 VanDerWaalsContact O-CA 3.25Å; F71-G75 WeakPolarHBondContact O-CA 3.42Å; F71-G75 PolarHBondContact O-N 2.79Å; F71-G75 VanDerWaalsContact O-N 3.08Å; F71-Y82 HydrophobicContact CD1-CE1 4.28Å; F71-Y82 AromaticContact CD1-CE2 3.99Å; F71-Y82 HydrophobicContact CD1-CE2 3.99Å; F71-Y82 AromaticContact CD1-CZ 3.76Å; F71-Y82 HydrophobicContact CE1-CD2 4.45Å; F71-Y82 HydrophobicContact CE1-CE1 4.34Å; F71-Y82 HydrophobicContact CE1-CE2 4.18Å; F71-F84 HydrophobicContact CE1-CE2 4.19Å; F71-F84 AromaticContact CE1-CZ 3.71Å; F71-F84 HydrophobicContact CE1-CZ 3.71Å; F71-F84 HydrophobicContact CZ-CE2 4.44Å; F71-F84 AromaticContact CZ-CZ 3.92Å; F71-F84 HydrophobicContact CZ-CZ 3.92Å; F71-L101 HydrophobicContact CE2-CD2 4.2Å; F71-L102 HydrophobicContact CZ-CD2 4.31Å; F71-M105 HydrophobicContact CE1-CE 4.05Å; F71-M105 HydrophobicContact CE2-SD 4.09Å; F71-M105 HydrophobicContact CZ-CE 3.94Å; F71-M105 HydrophobicContact CZ-SD 3.83Å
72R95.6Very high96.4Very high164 Ų16438 Ų3862%0.61919%0.192SC*.Hα-helixtrans-68-34.9173.1-166.1-171.269.871.5-2.5111.1M68 E69 L70M68-R72 PolarHBondContact O-N 3.24Å; E69-R72 VanDerWaalsContact CD-NE 3.25Å; E69-R72 WeakPolarHBondContact O-CA 3.16Å; E69-R72 VanDerWaalsContact O-CB 3.3Å; E69-R72 WeakPolarHBondContact O-CB 3.46Å; E69-R72 PolarHBondContact O-N 2.95Å; E69-R72 IonicContact OE1-CZ 3.01Å; E69-R72 VanDerWaalsContact OE1-CZ 3.23Å; E69-R72 IonicContact OE1-NE 2.86Å; E69-R72 PolarHBondContact OE1-NE 2.95Å; E69-R72 VanDerWaalsContact OE1-NE 3.07Å; E69-R72 IonicContact OE1-NH2 3.05Å; E69-R72 PolarHBondContact OE1-NH2 3.1Å; E69-R72 WeakPolarHBondContact OE2-CD 3.45Å; E69-R72 IonicContact OE2-CZ 3.68Å; E69-R72 IonicContact OE2-NE 3.4Å; E69-R72 PolarHBondContact OE2-NE 3.14Å; E69-R72 IonicContact OE2-NH2 2.61Å; L70-R72 VanDerWaalsContact C-N 3.33Å; L70-R72 PolarHBondContact O-N 2.92Å
73I94.7Very high96.5Very high49 Ų4938 Ų3825%0.25119%0.192SC..Hα-helixtrans-86.4-51-175.3-67.7173.7000111.8E69 L70 F71 G75 L289 F291E69-I73 HydrophobicContact CG-CD1 3.91Å; E69-I73 WeakPolarHBondContact O-CG1 3.33Å; E69-I73 PolarHBondContact O-N 2.84Å; L70-I73 PolarHBondContact O-N 2.79Å; F71-I73 VanDerWaalsContact C-N 3.3Å; I73-G75 VanDerWaalsContact C-N 3.32Å; I73-L289 HydrophobicContact CG2-CB 3.96Å; I73-L289 HydrophobicContact CG2-CD1 3.8Å; I73-L289 HydrophobicContact CG2-CG 4.46Å; I73-F291 HydrophobicContact CD1-CB 3.24Å; I73-F291 HydrophobicContact CD1-CD1 4.26Å; I73-F291 HydrophobicContact CD1-CD2 4.32Å; I73-F291 HydrophobicContact CD1-CG 3.73Å
74G94.8Very high96.6Very high7 Ų737.9 Ų37.97%0.07219%0.192CC..Hα-helixtrans-79.8-11.4178.100000114.5L70 T80L70-G74 PolarHBondContact O-N 2.85Å; G74-T80 WeakPolarHBondContact O-CG2 3.32Å; G74-T80 PolarHBondContact O-OG1 3.13Å
75G95.6Very high96.6Very high24 Ų2437.9 Ų37.925%0.24719%0.191CC..  trans91.5156.3-178.200000113.8F71 I73 Y82F71-G75 CarbonylContact O-C 3.19Å; F71-G75 VanDerWaalsContact O-CA 3.25Å; F71-G75 WeakPolarHBondContact O-CA 3.42Å; F71-G75 PolarHBondContact O-N 2.79Å; F71-G75 VanDerWaalsContact O-N 3.08Å; I73-G75 VanDerWaalsContact C-N 3.32Å; G75-Y82 VanDerWaalsContact O-CE2 3.29Å; G75-Y82 WeakPolarHBondContact O-CE2 3.31Å; G75-Y82 PolarHBondContact O-OH 2.89Å
76K94.1Very high96.7Very high117 Ų11734.4 Ų34.451%0.50918%0.175SC..  trans-85.1139.6-175.2-66.2-171.5175.7-169.70112.2N79 T80K76-N79 WeakPolarHBondContact O-CB 3.39Å; K76-N79 PolarHBondContact O-N 2.91Å; K76-T80 PolarHBondContact O-N 2.9Å
77S93.4Very high96.8Very high10 Ų1033.9 Ų33.97%0.0717%0.173CC..THydrogen-bonded Turntrans-60.1142.8159.9-175.70000110F109S77-F109 VanDerWaalsContact OG-CD2 3.22Å; S77-F109 WeakPolarHBondContact OG-CD2 3.42Å
78P94.3Very high96.8Very high53 Ų5334 Ų3434%0.34417%0.173SC..THydrogen-bonded Turncis-88.28.78.335.6-36.5000115.4F109 R112P78-F109 HydrophobicContact CB-CD1 3.79Å; P78-F109 HydrophobicContact CB-CE1 3.82Å; P78-F109 HydrophobicContact CB-CG 4.43Å; P78-F109 HydrophobicContact CB-CZ 4.49Å; P78-F109 HydrophobicContact CG-CD1 4.41Å; P78-F109 HydrophobicContact CG-CE1 3.94Å; P78-F109 HydrophobicContact CG-CZ 4.44Å; P78-R112 VanDerWaalsContact O-CD 3.31Å; P78-R112 WeakPolarHBondContact O-CD 3.14Å; P78-R112 PolarHBondContact O-NE 3.35Å; P78-R112 PolarHBondContact O-NH1 2.86Å
79N95.8Very high96.9Very high148 Ų14832.2 Ų32.279%0.79116%0.164SC*.THydrogen-bonded Turntrans-76.2-33.6179.8-60.5-42.7000111.9K76K76-N79 WeakPolarHBondContact O-CB 3.39Å; K76-N79 PolarHBondContact O-N 2.91Å
80T97.6Very high97Very high27 Ų2730.4 Ų30.417%0.16616%0.156CC..SBendtrans-106.3135.6174.9-53.50000110.3T55 G74 K76 Y82T55-T80 WeakPolarHBondContact OG1-CG2 3.16Å; G74-T80 WeakPolarHBondContact O-CG2 3.32Å; G74-T80 PolarHBondContact O-OG1 3.13Å; K76-T80 PolarHBondContact O-N 2.9Å; T80-Y82 HydrophobicContact CG2-CD2 4.06Å; T80-Y82 HydrophobicContact CG2-CE2 3.56Å
81N98.5Very high96.9Very high31 Ų3132.1 Ų32.117%0.16616%0.162CC..  trans-89.5141170.4-53.8-40.1000109.4P53 V54 T55 R112P53-N81 WeakPolarHBondContact O-CB 3.21Å; P53-N81 PolarHBondContact O-ND2 2.96Å; V54-N81 HydrophobicContact CB-CB 4.41Å; V54-N81 HydrophobicContact CG2-CB 4.29Å; T55-N81 PolarHBondContact N-O 3.15Å; N81-R112 CarbonylContact C-O 3.57Å; N81-R112 VanDerWaalsContact CA-O 3.24Å; N81-R112 WeakPolarHBondContact CA-O 3.29Å; N81-R112 WeakPolarHBondContact OD1-CB 3.45Å; N81-R112 VanDerWaalsContact OD1-CG 3.3Å; N81-R112 WeakPolarHBondContact OD1-CG 3.38Å; N81-R112 PolarHBondContact OD1-NH1 2.62Å
82Y98.8Very high96.8Very high1 Ų132.1 Ų32.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-125.6142.9-177.3-78.6-85000112.6T55 C57 L70 F71 G75 T80 F84 R112 I113 T114T55-Y82 HydrophobicContact CG2-CD1 4.09Å; T55-Y82 HydrophobicContact CG2-CE1 3.68Å; T55-Y82 WeakPolarHBondContact O-CA 3.32Å; C57-Y82 VanDerWaalsContact SG-CD1 3.59Å; L70-Y82 HydrophobicContact CD2-CD1 4.47Å; L70-Y82 HydrophobicContact CD2-CE1 3.68Å; F71-Y82 HydrophobicContact CD1-CE1 4.28Å; F71-Y82 AromaticContact CD1-CE2 3.99Å; F71-Y82 HydrophobicContact CD1-CE2 3.99Å; F71-Y82 AromaticContact CD1-CZ 3.76Å; F71-Y82 HydrophobicContact CE1-CD2 4.45Å; F71-Y82 HydrophobicContact CE1-CE1 4.34Å; F71-Y82 HydrophobicContact CE1-CE2 4.18Å; G75-Y82 VanDerWaalsContact O-CE2 3.29Å; G75-Y82 WeakPolarHBondContact O-CE2 3.31Å; G75-Y82 PolarHBondContact O-OH 2.89Å; T80-Y82 HydrophobicContact CG2-CD2 4.06Å; T80-Y82 HydrophobicContact CG2-CE2 3.56Å; Y82-F84 AromaticContact CD1-CE2 3.92Å; Y82-F84 HydrophobicContact CD1-CE2 3.92Å; Y82-F84 HydrophobicContact CD1-CZ 4.13Å; Y82-F84 AromaticContact CG-CE2 3.93Å; Y82-F84 HydrophobicContact CG-CE2 3.93Å; Y82-R112 PolarHBondContact N-O 3.45Å; Y82-I113 HydrophobicContact CD2-CD1 4.15Å; Y82-I113 HydrophobicContact CG-CD1 4.45Å; Y82-T114 PolarHBondContact O-N 3.14Å
83L98.9Very high96.8Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-124.6109168.5171.462.8000108.9V50 V54 T55 V56 C57 T114 L116 A159 V161 C167V50-L83 HydrophobicContact CG2-CD1 4.4Å; V54-L83 HydrophobicContact CG2-CB 3.94Å; T55-L83 PolarHBondContact O-N 2.76Å; V56-L83 CarbonylContact C-O 3.27Å; V56-L83 WeakPolarHBondContact CA-O 3.26Å; V56-L83 HydrophobicContact CG1-CD2 4.22Å; V56-L83 HydrophobicContact CG1-CG 4.38Å; V56-L83 HydrophobicContact CG2-CB 4.45Å; V56-L83 HydrophobicContact CG2-CD2 4.17Å; C57-L83 PolarHBondContact N-O 3.03Å; L83-T114 WeakPolarHBondContact CA-O 3.17Å; L83-T114 HydrophobicContact CD1-CG2 3.45Å; L83-T114 VanDerWaalsContact CD1-CG2 3.45Å; L83-L116 HydrophobicContact CD1-CD1 4.02Å; L83-L116 HydrophobicContact CD1-CD2 4.3Å; L83-L116 HydrophobicContact CD1-CG 3.93Å; L83-A159 HydrophobicContact CD1-CB 3.63Å; L83-A159 HydrophobicContact CD2-CB 3.89Å; L83-A159 HydrophobicContact CG-CB 4.44Å; L83-V161 HydrophobicContact CD2-CG2 3.97Å; L83-C167 HydrophobicContact CD2-CB 3.64Å
84F98.9Very high96.9Very high0 Ų026.2 Ų26.20%014%0.138CC..EExtended strand (participates in β ladder)trans-98.3125.7177.1-75.9-91.3000110.6C57 V60 L70 F71 Y82 Y88 L102 T114 I115 L116C57-F84 HydrophobicContact CB-CD1 3.5Å; C57-F84 VanDerWaalsContact CB-CD1 3.5Å; C57-F84 HydrophobicContact CB-CE1 3.61Å; C57-F84 HydrophobicContact CB-CG 4.1Å; C57-F84 HydrophobicContact CB-CZ 4.29Å; V60-F84 HydrophobicContact CG2-CD1 4.36Å; V60-F84 HydrophobicContact CG2-CE1 4.23Å; L70-F84 HydrophobicContact CD1-CE1 4.21Å; L70-F84 HydrophobicContact CD2-CZ 4.21Å; F71-F84 HydrophobicContact CE1-CE2 4.19Å; F71-F84 AromaticContact CE1-CZ 3.71Å; F71-F84 HydrophobicContact CE1-CZ 3.71Å; F71-F84 HydrophobicContact CZ-CE2 4.44Å; F71-F84 AromaticContact CZ-CZ 3.92Å; F71-F84 HydrophobicContact CZ-CZ 3.92Å; Y82-F84 AromaticContact CD1-CE2 3.92Å; Y82-F84 HydrophobicContact CD1-CE2 3.92Å; Y82-F84 HydrophobicContact CD1-CZ 4.13Å; Y82-F84 AromaticContact CG-CE2 3.93Å; Y82-F84 HydrophobicContact CG-CE2 3.93Å; F84-Y88 HydrophobicContact CB-CE1 3.67Å; F84-Y88 WeakPolarHBondContact CB-OH 3.29Å; F84-Y88 HydrophobicContact CD1-CE1 4.49Å; F84-Y88 HydrophobicContact CG-CE1 4.45Å; F84-Y88 PolarHBondContact O-OH 2.88Å; F84-L102 HydrophobicContact CD1-CD1 4.45Å; F84-L102 HydrophobicContact CD1-CD2 4.19Å; F84-L102 HydrophobicContact CD2-CD2 3.84Å; F84-L102 HydrophobicContact CE1-CD2 3.95Å; F84-L102 HydrophobicContact CE2-CD2 3.57Å; F84-L102 HydrophobicContact CG-CD2 4.15Å; F84-L102 HydrophobicContact CZ-CD2 3.64Å; F84-T114 PolarHBondContact N-O 2.92Å; F84-I115 HydrophobicContact CB-CG2 4.25Å; F84-I115 HydrophobicContact CD2-CG2 4.48Å; F84-L116 WeakPolarHBondContact O-CB 3.48Å; F84-L116 PolarHBondContact O-N 3.41Å
85M98.9Very high97.1Very high0 Ų025.9 Ų25.90%014%0.135CC..  trans-85.3-12.4-169.4-67.4-172.3-67.400115.5V56 C57 L116 C167 H169 R241 A242 I261V56-M85 HydrophobicContact CG1-CE 3.84Å; V56-M85 HydrophobicContact CG1-CG 4.03Å; V56-M85 HydrophobicContact CG1-SD 3.72Å; C57-M85 WeakPolarHBondContact O-CB 3.5Å; C57-M85 WeakPolarHBondContact O-CG 3.46Å; C57-M85 PolarHBondContact O-N 3.2Å; M85-L116 HydrophobicContact CG-CD1 4.49Å; M85-C167 HydrophobicContact SD-CB 4.17Å; M85-H169 WeakPolarHBondContact O-CA 3.23Å; M85-H169 WeakPolarHBondContact O-CB 3.35Å; M85-R241 WeakPolarHBondContact CE-O 3.44Å; M85-A242 HydrophobicContact CB-CB 3.92Å; M85-A242 HydrophobicContact CE-CB 4.05Å; M85-I261 HydrophobicContact CE-CB 3.89Å; M85-I261 HydrophobicContact CE-CD1 4.02Å; M85-I261 HydrophobicContact CE-CG1 4.36Å
86G98.7Very high97.2Very high0 Ų024.7 Ų24.70%012%0.123CC..SBendtrans140.5-175.6176.700000112.1Y88G86-Y88 VanDerWaalsContact C-CE1 3.5Å; G86-Y88 WeakPolarHBondContact O-CE1 3.48Å
87D98.8Very high97.4Very high2 Ų219.5 Ų19.51%0.01110%0.1CC..  trans55.763.9176-73.26.6000113.3D59 V60 H61 N119 H120 E121 H169 H243D59-D87 HydrophobicContact CB-CB 4.19Å; V60-D87 PolarHBondContact N-O 3.29Å; H61-D87 IonicContact CE1-OD2 3.73Å; H61-D87 PolarHBondContact N-O 3Å; H61-D87 IonicContact NE2-OD2 2.61Å; D87-N119 PolarHBondContact OD1-N 3.09Å; D87-N119 PolarHBondContact OD1-OD1 2.83Å; D87-N119 VanDerWaalsContact OD1-OD1 3.07Å; D87-N119 PolarHBondContact OD2-OD1 2.81Å; D87-H120 HydrophobicContact CB-CB 4.36Å; D87-H120 VanDerWaalsContact CG-CD2 3.41Å; D87-H120 VanDerWaalsContact OD1-CB 3.29Å; D87-H120 WeakPolarHBondContact OD1-CB 3.05Å; D87-H120 IonicContact OD1-CD2 3.11Å; D87-H120 PolarHBondContact OD1-CD2 2.9Å; D87-H120 IonicContact OD1-CG 3.31Å; D87-H120 PolarHBondContact OD1-N 3.1Å; D87-H120 IonicContact OD2-CD2 3.91Å; D87-H120 PolarHBondContact OD2-CD2 3.32Å; D87-E121 PolarHBondContact N-OE2 2.81Å; D87-H169 IonicContact OD1-CD2 2.88Å; D87-H169 IonicContact OD1-CE1 2.7Å; D87-H169 PolarHBondContact OD1-CE1 3Å; D87-H169 IonicContact OD1-NE2 3.46Å; D87-H169 PolarHBondContact OD1-NE2 3.4Å; D87-H169 IonicContact OD2-CE1 3.45Å; D87-H169 PolarHBondContact OD2-CE1 2.93Å; D87-H169 IonicContact OD2-NE2 3.03Å; D87-H169 PolarHBondContact OD2-NE2 2.77Å; D87-H243 IonicContact OD2-ND1 3.78Å
88Y98.8Very high97.7Very high3 Ų319 Ų191%0.01210%0.097CC..  trans-88.5-28.7-178.9-48.4-38.2000112.6G62 F84 G86 T98 L102 I115 L116 E121G62-Y88 PolarHBondContact N-O 3.48Å; F84-Y88 HydrophobicContact CB-CE1 3.67Å; F84-Y88 WeakPolarHBondContact CB-OH 3.29Å; F84-Y88 HydrophobicContact CD1-CE1 4.49Å; F84-Y88 HydrophobicContact CG-CE1 4.45Å; F84-Y88 PolarHBondContact O-OH 2.88Å; G86-Y88 VanDerWaalsContact C-CE1 3.5Å; G86-Y88 WeakPolarHBondContact O-CE1 3.48Å; Y88-T98 VanDerWaalsContact O-CG2 3.27Å; Y88-T98 WeakPolarHBondContact O-CG2 3.47Å; Y88-L102 HydrophobicContact CD1-CD1 3.56Å; Y88-L102 HydrophobicContact CD2-CD1 4.21Å; Y88-L102 HydrophobicContact CE1-CD1 4.08Å; Y88-L102 HydrophobicContact CG-CD1 3.64Å; Y88-I115 HydrophobicContact CE2-CB 4.23Å; Y88-I115 WeakPolarHBondContact OH-CA 3.42Å; Y88-I115 WeakPolarHBondContact OH-CB 3.46Å; Y88-L116 WeakPolarHBondContact CE2-O 3.2Å; Y88-L116 PolarHBondContact OH-N 2.96Å; Y88-L116 PolarHBondContact OH-O 2.98Å; Y88-E121 HydrophobicContact CD2-CG 4.08Å; Y88-E121 HydrophobicContact CE2-CG 4.44Å; Y88-E121 PolarHBondContact N-OE1 2.91Å
89V98.7Very high97.9Very high0 Ų016.6 Ų16.60%08%0.081CC..SBendtrans-111.7177.2-173.5-60.70000111.3H61 V99 H120 T126 F131 F152H61-V89 PolarHBondContact ND1-O 3.45Å; V89-V99 HydrophobicContact CG1-CB 3.71Å; V89-V99 HydrophobicContact CG1-CG1 3.91Å; V89-V99 HydrophobicContact CG1-CG2 4.1Å; V89-H120 HydrophobicContact CG2-CB 4.27Å; V89-T126 HydrophobicContact CG2-CG2 3.73Å; V89-F131 HydrophobicContact CB-CB 4.06Å; V89-F131 HydrophobicContact CB-CD1 4.18Å; V89-F131 HydrophobicContact CB-CD2 4.09Å; V89-F131 HydrophobicContact CB-CG 3.86Å; V89-F131 HydrophobicContact CG1-CD1 4.15Å; V89-F131 HydrophobicContact CG1-CD2 3.99Å; V89-F131 HydrophobicContact CG1-CE1 4.13Å; V89-F131 HydrophobicContact CG1-CE2 3.95Å; V89-F131 HydrophobicContact CG1-CG 4.07Å; V89-F131 HydrophobicContact CG1-CZ 4.02Å; V89-F131 HydrophobicContact CG2-CB 4.28Å; V89-F131 HydrophobicContact CG2-CD1 4.18Å; V89-F131 HydrophobicContact CG2-CG 4.23Å; V89-F152 HydrophobicContact CG1-CZ 4.13Å; V89-F152 HydrophobicContact CG2-CE2 4.38Å; V89-F152 HydrophobicContact CG2-CZ 4.43Å
90D98Very high98Very high0 Ų09.5 Ų9.50%04%0.043CC..SBendtrans64.1167-177.5-61.8-39.2000113.4H61 G92 S95 H120 Y129 G130 F131H61-D90 CarbonylContact C-O 3.47Å; H61-D90 VanDerWaalsContact CA-O 3.29Å; H61-D90 WeakPolarHBondContact CA-O 3.4Å; H61-D90 WeakPolarHBondContact CB-O 3.22Å; D90-G92 PolarHBondContact O-N 2.8Å; D90-S95 PolarHBondContact N-OG 3.06Å; D90-S95 VanDerWaalsContact N-OG 3.1Å; D90-H120 VanDerWaalsContact CB-ND1 3.31Å; D90-H120 WeakPolarHBondContact CB-ND1 3.43Å; D90-H120 IonicContact OD2-CE1 2.73Å; D90-H120 IonicContact OD2-CG 2.8Å; D90-H120 IonicContact OD2-ND1 3.16Å; D90-H120 PolarHBondContact OD2-ND1 2.96Å; D90-Y129 WeakPolarHBondContact CA-O 3.3Å; D90-Y129 VanDerWaalsContact CB-O 3.29Å; D90-Y129 WeakPolarHBondContact CB-O 3.44Å; D90-G130 PolarHBondContact OD1-N 2.77Å; D90-F131 WeakPolarHBondContact OD1-CB 3.12Å; D90-F131 PolarHBondContact OD1-N 3.4Å
91R94.9Very high98.1Very high36 Ų368.2 Ų8.214%0.1364%0.035CC..SBendtrans61.90.2170.8-51.7-75.1-157.9151.32.9116.4H61 Y129 Y267 F310 L311H61-R91 HydrophobicContact CB-CB 4Å; R91-Y129 PolarHBondContact N-O 3.01Å; R91-Y129 VanDerWaalsContact N-O 3.17Å; R91-Y129 VanDerWaalsContact NH2-CE1 3.32Å; R91-Y267 HydrophobicContact CB-CE2 3.93Å; R91-Y267 HydrophobicContact CG-CE2 4.39Å; R91-Y267 WeakPolarHBondContact CG-OH 3.38Å; R91-F310 VanDerWaalsContact O-CD1 3.3Å; R91-F310 WeakPolarHBondContact O-CD1 3.48Å; R91-F310 WeakPolarHBondContact O-CE1 3.34Å; R91-L311 PolarHBondContact NH1-OXT 3.17Å
92G94.9Very high98.1Very high2 Ų26.8 Ų6.82%0.0213%0.028CC..SBendtrans-130.6174.2171.300000112.2H61 D90 Y269H61-G92 WeakPolarHBondContact O-CA 3.4Å; H61-G92 PolarHBondContact O-N 3.18Å; H61-G92 VanDerWaalsContact O-N 3.07Å; D90-G92 PolarHBondContact O-N 2.8Å; G92-Y269 VanDerWaalsContact CA-OH 3.3Å; G92-Y269 WeakPolarHBondContact CA-OH 3.29Å
93Y95Very high98.1Very high42 Ų426.9 Ų6.917%0.1653%0.028CC..SBendtrans-88.9-12.7-176.9-61.5-55.3000114.8Y269 P300 V302 F310Y93-Y269 HydrophobicContact CD1-CE2 4.39Å; Y93-Y269 HydrophobicContact CD2-CD2 4.01Å; Y93-Y269 HydrophobicContact CD2-CE1 4.32Å; Y93-Y269 AromaticContact CD2-CE2 3.23Å; Y93-Y269 HydrophobicContact CD2-CE2 3.23Å; Y93-Y269 AromaticContact CD2-CZ 3.43Å; Y93-Y269 VanDerWaalsContact CD2-CZ 3.43Å; Y93-Y269 WeakPolarHBondContact CD2-OH 3.32Å; Y93-Y269 HydrophobicContact CE1-CE2 4.31Å; Y93-Y269 AromaticContact CE2-CD2 3.4Å; Y93-Y269 HydrophobicContact CE2-CD2 3.4Å; Y93-Y269 HydrophobicContact CE2-CE1 4.44Å; Y93-Y269 AromaticContact CE2-CE2 3.12Å; Y93-Y269 HydrophobicContact CE2-CE2 3.12Å; Y93-Y269 HydrophobicContact CE2-CG 4.15Å; Y93-Y269 AromaticContact CE2-CZ 3.72Å; Y93-Y269 AromaticContact CG-CE2 3.89Å; Y93-Y269 HydrophobicContact CG-CE2 3.89Å; Y93-Y269 AromaticContact CZ-CD2 3.8Å; Y93-Y269 AromaticContact CZ-CE2 3.7Å; Y93-Y269 PolarHBondContact N-OH 3.42Å; Y93-P300 HydrophobicContact CD1-CG 4.34Å; Y93-P300 HydrophobicContact CD2-CG 3.76Å; Y93-P300 HydrophobicContact CE2-CG 4.23Å; Y93-P300 HydrophobicContact CG-CG 3.83Å; Y93-V302 HydrophobicContact CE1-CG2 4.25Å; Y93-F310 HydrophobicContact CD1-CE2 4.24Å; Y93-F310 AromaticContact CD1-CZ 3.64Å; Y93-F310 HydrophobicContact CD1-CZ 3.64Å; Y93-F310 HydrophobicContact CE1-CE1 4.2Å; Y93-F310 AromaticContact CE1-CE2 3.76Å; Y93-F310 HydrophobicContact CE1-CE2 3.76Å; Y93-F310 AromaticContact CE1-CZ 3.4Å; Y93-F310 HydrophobicContact CE1-CZ 3.4Å; Y93-F310 VanDerWaalsContact CE1-CZ 3.4Å; Y93-F310 HydrophobicContact CG-CZ 4.45Å
94Y97.3Very high98.1Very high47 Ų476.9 Ų6.918%0.1843%0.028CC..  trans-130.538.7-167.9-53.8-77.2000112G62 F64 H65 V96 E97 T98G62-Y94 CarbonylContact O-C 3.48Å; G62-Y94 WeakPolarHBondContact O-CA 3.41Å; G62-Y94 WeakPolarHBondContact O-CB 3.48Å; G62-Y94 PolarHBondContact O-N 3.19Å; G62-Y94 VanDerWaalsContact O-N 3.07Å; F64-Y94 VanDerWaalsContact CB-CB 3.46Å; F64-Y94 HydrophobicContact CB-CD2 4.32Å; F64-Y94 HydrophobicContact CB-CG 4.09Å; H65-Y94 AromaticContact CD2-CE2 3.83Å; H65-Y94 AromaticContact NE2-CE2 3.86Å; H65-Y94 AromaticContact NE2-CZ 3.94Å; Y94-V96 VanDerWaalsContact C-N 3.28Å; Y94-V96 PolarHBondContact O-N 3.3Å; Y94-E97 WeakPolarHBondContact CA-OE2 3.21Å; Y94-E97 WeakPolarHBondContact CB-OE2 3.43Å; Y94-E97 PolarHBondContact O-N 3.3Å; Y94-T98 WeakPolarHBondContact O-CB 3.32Å; Y94-T98 PolarHBondContact O-N 2.75Å; Y94-T98 PolarHBondContact O-OG1 3.47Å; Y94-T98 VanDerWaalsContact O-OG1 3.07Å
95S98.6Very high98.1Very high0 Ų06.9 Ų6.90%03%0.028CC..Hα-helixtrans-58.4-41.1178.8-50.80000111.8D90 T98 V99 E134D90-S95 PolarHBondContact N-OG 3.06Å; D90-S95 VanDerWaalsContact N-OG 3.1Å; S95-T98 PolarHBondContact O-N 3.34Å; S95-V99 VanDerWaalsContact O-CG1 3.24Å; S95-V99 WeakPolarHBondContact O-CG1 3.46Å; S95-V99 PolarHBondContact O-N 2.93Å; S95-E134 WeakPolarHBondContact CB-OE2 3.22Å; S95-E134 VanDerWaalsContact N-CD 3.31Å; S95-E134 PolarHBondContact N-OE1 2.69Å; S95-E134 PolarHBondContact N-OE2 3.48Å; S95-E134 PolarHBondContact OG-OE2 3.11Å
96V98.7Very high98.1Very high0 Ų07 Ų70%03%0.029CC..Hα-helixtrans-57.9-52177.3167.90000110.5Q24 Y94 T100 F131 E134 K138 Y139Q24-V96 HydrophobicContact CB-CG1 4.47Å; Y94-V96 VanDerWaalsContact C-N 3.28Å; Y94-V96 PolarHBondContact O-N 3.3Å; V96-T100 WeakPolarHBondContact O-CB 3.18Å; V96-T100 PolarHBondContact O-N 3.24Å; V96-T100 PolarHBondContact O-OG1 3.48Å; V96-F131 HydrophobicContact CG2-CE2 3.94Å; V96-E134 WeakPolarHBondContact CB-OE1 3.49Å; V96-E134 HydrophobicContact CG2-CG 4.26Å; V96-E134 WeakPolarHBondContact CG2-OE1 3.49Å; V96-E134 PolarHBondContact N-OE1 3.47Å; V96-K138 HydrophobicContact CB-CD 4Å; V96-K138 HydrophobicContact CG1-CD 4.32Å; V96-K138 HydrophobicContact CG2-CD 3.97Å; V96-Y139 HydrophobicContact CG1-CE2 3.77Å; V96-Y139 HydrophobicContact CG2-CE2 4.33Å
97E98.5Very high98.1Very high8 Ų87.6 Ų7.64%0.0373%0.032CC..Hα-helixtrans-66.8-41.8-178.5-63.578.7-171.600111.2F64 Y94 L101 K138F64-E97 HydrophobicContact CD2-CB 3.65Å; F64-E97 HydrophobicContact CE2-CB 4.01Å; F64-E97 HydrophobicContact CG-CB 4.21Å; Y94-E97 WeakPolarHBondContact CA-OE2 3.21Å; Y94-E97 WeakPolarHBondContact CB-OE2 3.43Å; Y94-E97 PolarHBondContact O-N 3.3Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 PolarHBondContact O-N 2.73Å; E97-K138 WeakPolarHBondContact OE1-CE 3.41Å; E97-K138 IonicContact OE1-NZ 3.07Å; E97-K138 PolarHBondContact OE1-NZ 2.81Å; E97-K138 IonicContact OE2-NZ 3.86Å; E97-K138 PolarHBondContact OE2-NZ 3.03Å
98T98.7Very high98Very high0 Ų011 Ų110%05%0.045CC..Hα-helixtrans-57.9-57.3178.3-68.20000111.6V60 F64 M67 Y88 Y94 S95 T100 L101 L102V60-T98 HydrophobicContact CG1-CG2 3.85Å; F64-T98 WeakPolarHBondContact CA-OG1 3.39Å; F64-T98 PolarHBondContact N-OG1 2.73Å; M67-T98 HydrophobicContact CE-CG2 4.03Å; M67-T98 HydrophobicContact SD-CG2 3.87Å; Y88-T98 VanDerWaalsContact O-CG2 3.27Å; Y88-T98 WeakPolarHBondContact O-CG2 3.47Å; Y94-T98 WeakPolarHBondContact O-CB 3.32Å; Y94-T98 PolarHBondContact O-N 2.75Å; Y94-T98 PolarHBondContact O-OG1 3.47Å; Y94-T98 VanDerWaalsContact O-OG1 3.07Å; S95-T98 PolarHBondContact O-N 3.34Å; T98-T100 PolarHBondContact O-N 2.77Å; T98-L101 PolarHBondContact O-N 3.11Å; T98-L102 HydrophobicContact CG2-CD1 4.41Å; T98-L102 PolarHBondContact O-N 3.43Å; T98-L102 VanDerWaalsContact O-N 3.11Å
99V98.9Very high98Very high1 Ų112 Ų121%0.0065%0.05CC..Hα-helixtrans-69.6-36-176.373.90000111.8V89 S95 L101 L102 V103 F131 F148 F152V89-V99 HydrophobicContact CG1-CB 3.71Å; V89-V99 HydrophobicContact CG1-CG1 3.91Å; V89-V99 HydrophobicContact CG1-CG2 4.1Å; S95-V99 VanDerWaalsContact O-CG1 3.24Å; S95-V99 WeakPolarHBondContact O-CG1 3.46Å; S95-V99 PolarHBondContact O-N 2.93Å; V99-L101 VanDerWaalsContact C-N 3.33Å; V99-L101 PolarHBondContact O-N 3.16Å; V99-L102 PolarHBondContact O-N 3.19Å; V99-V103 HydrophobicContact CG2-CG2 4.33Å; V99-V103 WeakPolarHBondContact O-CB 3.32Å; V99-V103 VanDerWaalsContact O-CG2 3.23Å; V99-V103 WeakPolarHBondContact O-CG2 3.05Å; V99-V103 PolarHBondContact O-N 3.04Å; V99-F131 HydrophobicContact CG1-CE2 4.1Å; V99-F131 HydrophobicContact CG1-CZ 3.89Å; V99-F148 HydrophobicContact CG1-CD1 3.96Å; V99-F148 HydrophobicContact CG1-CD2 4.15Å; V99-F148 HydrophobicContact CG1-CE1 3.76Å; V99-F148 HydrophobicContact CG1-CE2 3.92Å; V99-F148 HydrophobicContact CG1-CG 4.17Å; V99-F148 HydrophobicContact CG1-CZ 3.75Å; V99-F148 HydrophobicContact CG2-CD1 4.09Å; V99-F148 HydrophobicContact CG2-CE1 4.19Å; V99-F152 HydrophobicContact CG2-CE1 3.76Å; V99-F152 HydrophobicContact CG2-CZ 4.02Å
100T98.9Very high97.8Very high0 Ų017.2 Ų17.20%07%0.072CC..Hα-helixtrans-62.2-42.3176.4-53.10000111L19 L25 L33 V96 T98 V103 A104 F148L19-T100 HydrophobicContact CD1-CG2 3.69Å; L19-T100 HydrophobicContact CD2-CG2 3.82Å; L19-T100 HydrophobicContact CG-CG2 4.39Å; L25-T100 HydrophobicContact CB-CG2 4.47Å; L25-T100 HydrophobicContact CD1-CG2 3.6Å; L25-T100 HydrophobicContact CG-CG2 3.91Å; L33-T100 HydrophobicContact CD2-CG2 3.73Å; V96-T100 WeakPolarHBondContact O-CB 3.18Å; V96-T100 PolarHBondContact O-N 3.24Å; V96-T100 PolarHBondContact O-OG1 3.48Å; T98-T100 PolarHBondContact O-N 2.77Å; T100-V103 PolarHBondContact O-N 3.35Å; T100-A104 VanDerWaalsContact O-CB 3.28Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 2.73Å; T100-F148 HydrophobicContact CG2-CZ 4.49Å; T100-F148 VanDerWaalsContact OG1-CZ 3.3Å; T100-F148 WeakPolarHBondContact OG1-CZ 3.33Å
101L98.8Very high97.7Very high0 Ų024 Ų240%011%0.108CC..Hα-helixtrans-66.4-45.7178.6179.856000112.1I16 L19 Y20 F64 M67 M68 F71 E97 T98 V99 V103 A104 M105I16-L101 HydrophobicContact CG1-CD1 4.42Å; I16-L101 HydrophobicContact CG2-CD1 4.14Å; L19-L101 HydrophobicContact CB-CB 4.19Å; L19-L101 HydrophobicContact CB-CD1 3.93Å; L19-L101 HydrophobicContact CB-CG 4.49Å; L19-L101 HydrophobicContact CD1-CB 4.4Å; L19-L101 HydrophobicContact CD1-CD1 4.48Å; Y20-L101 HydrophobicContact CD1-CD2 4.11Å; Y20-L101 HydrophobicContact CE1-CD2 4.08Å; F64-L101 HydrophobicContact CE2-CD2 3.81Å; F64-L101 HydrophobicContact CZ-CD2 4.29Å; M67-L101 HydrophobicContact CE-CB 4.3Å; M67-L101 HydrophobicContact CE-CD2 3.85Å; M67-L101 HydrophobicContact CE-CG 4.38Å; M68-L101 HydrophobicContact CE-CD2 3.42Å; M68-L101 VanDerWaalsContact CE-CD2 3.42Å; M68-L101 HydrophobicContact SD-CD2 4.38Å; F71-L101 HydrophobicContact CE2-CD2 4.2Å; E97-L101 WeakPolarHBondContact O-CB 3.34Å; E97-L101 PolarHBondContact O-N 2.73Å; T98-L101 PolarHBondContact O-N 3.11Å; V99-L101 VanDerWaalsContact C-N 3.33Å; V99-L101 PolarHBondContact O-N 3.16Å; L101-V103 VanDerWaalsContact C-N 3.31Å; L101-V103 PolarHBondContact O-N 3.45Å; L101-A104 PolarHBondContact O-N 2.8Å; L101-M105 HydrophobicContact CD1-CG 3.97Å; L101-M105 HydrophobicContact CD1-SD 3.95Å; L101-M105 HydrophobicContact CG-CG 4.44Å; L101-M105 HydrophobicContact CG-SD 3.95Å; L101-M105 WeakPolarHBondContact O-CB 3.28Å; L101-M105 VanDerWaalsContact O-CG 3.27Å; L101-M105 WeakPolarHBondContact O-CG 3.36Å; L101-M105 PolarHBondContact O-N 3.24Å
102L98.8Very high97.9Very high1 Ų127.3 Ų27.31%0.00512%0.121CC..Hα-helixtrans-59.3-43.1176.8-70.5177.5000111.8M67 F71 F84 Y88 T98 V99 M105 K106 I115M67-L102 HydrophobicContact SD-CD1 4.25Å; M67-L102 HydrophobicContact SD-CD2 3.89Å; M67-L102 HydrophobicContact SD-CG 3.94Å; F71-L102 HydrophobicContact CZ-CD2 4.31Å; F84-L102 HydrophobicContact CD1-CD1 4.45Å; F84-L102 HydrophobicContact CD1-CD2 4.19Å; F84-L102 HydrophobicContact CD2-CD2 3.84Å; F84-L102 HydrophobicContact CE1-CD2 3.95Å; F84-L102 HydrophobicContact CE2-CD2 3.57Å; F84-L102 HydrophobicContact CG-CD2 4.15Å; F84-L102 HydrophobicContact CZ-CD2 3.64Å; Y88-L102 HydrophobicContact CD1-CD1 3.56Å; Y88-L102 HydrophobicContact CD2-CD1 4.21Å; Y88-L102 HydrophobicContact CE1-CD1 4.08Å; Y88-L102 HydrophobicContact CG-CD1 3.64Å; T98-L102 HydrophobicContact CG2-CD1 4.41Å; T98-L102 PolarHBondContact O-N 3.43Å; T98-L102 VanDerWaalsContact O-N 3.11Å; V99-L102 PolarHBondContact O-N 3.19Å; L102-M105 PolarHBondContact O-N 3.32Å; L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 3.4Å; L102-I115 HydrophobicContact CB-CG2 4.45Å
103V98.9Very high98.1Very high3 Ų327.2 Ų27.22%0.01812%0.12CC..Hα-helixtrans-67.9-42.3177.1177.90000111.3L33 A37 V99 T100 L101 M105 K106 V107 I115 F148 L151L33-V103 HydrophobicContact CD1-CG1 4.09Å; L33-V103 HydrophobicContact CD2-CB 4.28Å; L33-V103 HydrophobicContact CD2-CG1 4.08Å; L33-V103 HydrophobicContact CG-CB 4.48Å; L33-V103 HydrophobicContact CG-CG1 3.76Å; A37-V103 HydrophobicContact CB-CG1 3.55Å; V99-V103 HydrophobicContact CG2-CG2 4.33Å; V99-V103 WeakPolarHBondContact O-CB 3.32Å; V99-V103 VanDerWaalsContact O-CG2 3.23Å; V99-V103 WeakPolarHBondContact O-CG2 3.05Å; V99-V103 PolarHBondContact O-N 3.04Å; T100-V103 PolarHBondContact O-N 3.35Å; L101-V103 VanDerWaalsContact C-N 3.31Å; L101-V103 PolarHBondContact O-N 3.45Å; V103-M105 VanDerWaalsContact C-N 3.34Å; V103-M105 PolarHBondContact O-N 2.69Å; V103-K106 WeakPolarHBondContact O-CB 3.47Å; V103-K106 PolarHBondContact O-N 2.8Å; V103-V107 HydrophobicContact CG1-CG2 4.48Å; V103-V107 WeakPolarHBondContact O-CG2 3.42Å; V103-V107 PolarHBondContact O-N 3.38Å; V103-I115 HydrophobicContact CG2-CD1 4.37Å; V103-F148 HydrophobicContact CG2-CE1 4.27Å; V103-L151 HydrophobicContact CB-CD2 4.42Å; V103-L151 HydrophobicContact CG1-CD2 3.77Å; V103-L151 HydrophobicContact CG2-CD2 3.68Å
104A98.8Very high98.2Very high0 Ų025.8 Ų25.80%012%0.115CC..Hα-helixtrans-59.9-44.2175.500000111.8I16 L19 L33 T100 L101 V107 R108I16-A104 HydrophobicContact CD1-CB 4.49Å; I16-A104 HydrophobicContact CG1-CB 3.81Å; L19-A104 HydrophobicContact CD1-CB 4.01Å; L33-A104 HydrophobicContact CD1-CB 4.22Å; L33-A104 HydrophobicContact CD2-CB 4.08Å; T100-A104 VanDerWaalsContact O-CB 3.28Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 2.73Å; L101-A104 PolarHBondContact O-N 2.8Å; A104-V107 PolarHBondContact O-N 3.04Å; A104-R108 VanDerWaalsContact O-CB 3.24Å; A104-R108 WeakPolarHBondContact O-CB 3.2Å; A104-R108 PolarHBondContact O-N 2.53Å
105M98.5Very high98.3Very high0 Ų023.6 Ų23.60%011%0.107CC..Hα-helixtrans-64.2-40.6174.4-70.4175.566.200111.9I16 F71 L101 L102 V103 R108 F109 I113I16-M105 HydrophobicContact CD1-CG 4.27Å; I16-M105 HydrophobicContact CG1-CG 4.47Å; F71-M105 HydrophobicContact CE1-CE 4.05Å; F71-M105 HydrophobicContact CE2-SD 4.09Å; F71-M105 HydrophobicContact CZ-CE 3.94Å; F71-M105 HydrophobicContact CZ-SD 3.83Å; L101-M105 HydrophobicContact CD1-CG 3.97Å; L101-M105 HydrophobicContact CD1-SD 3.95Å; L101-M105 HydrophobicContact CG-CG 4.44Å; L101-M105 HydrophobicContact CG-SD 3.95Å; L101-M105 WeakPolarHBondContact O-CB 3.28Å; L101-M105 VanDerWaalsContact O-CG 3.27Å; L101-M105 WeakPolarHBondContact O-CG 3.36Å; L101-M105 PolarHBondContact O-N 3.24Å; L102-M105 PolarHBondContact O-N 3.32Å; V103-M105 VanDerWaalsContact C-N 3.34Å; V103-M105 PolarHBondContact O-N 2.69Å; M105-R108 PolarHBondContact O-N 3.45Å; M105-F109 HydrophobicContact CB-CD2 4.43Å; M105-F109 WeakPolarHBondContact O-CA 3.15Å; M105-F109 WeakPolarHBondContact O-CB 3.34Å; M105-F109 PolarHBondContact O-N 3.26Å; M105-I113 HydrophobicContact CB-CG1 4.15Å; M105-I113 HydrophobicContact CB-CG2 4.48Å; M105-I113 HydrophobicContact CE-CD1 3.86Å
106K98.6Very high98.3Very high1 Ų123.6 Ų23.60%0.00411%0.107CC..Hα-helixtrans-59.1-46.5173.8175.162.8-175.4-172.60111.8E44 L102 V103 K110 I113 I115E44-K106 VanDerWaalsContact CD-NZ 3.27Å; E44-K106 WeakPolarHBondContact OE1-CE 3.27Å; E44-K106 IonicContact OE1-NZ 3.39Å; E44-K106 PolarHBondContact OE1-NZ 3.15Å; E44-K106 IonicContact OE2-NZ 3.35Å; E44-K106 PolarHBondContact OE2-NZ 3.48Å; E44-K106 VanDerWaalsContact OE2-NZ 3.14Å; L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 3.4Å; V103-K106 WeakPolarHBondContact O-CB 3.47Å; V103-K106 PolarHBondContact O-N 2.8Å; K106-K110 PolarHBondContact NZ-O 3.14Å; K106-K110 WeakPolarHBondContact O-CA 3.31Å; K106-K110 PolarHBondContact O-N 3.2Å; K106-K110 VanDerWaalsContact O-N 3.12Å; K106-I113 HydrophobicContact CB-CG2 4.11Å; K106-I113 HydrophobicContact CD-CG2 4.47Å; K106-I113 WeakPolarHBondContact CD-O 3.3Å; K106-I113 PolarHBondContact NZ-O 2.95Å; K106-I115 HydrophobicContact CB-CD1 3.88Å; K106-I115 HydrophobicContact CB-CG1 4.32Å; K106-I115 HydrophobicContact CD-CG1 4.2Å; K106-I115 HydrophobicContact CG-CD1 3.9Å; K106-I115 HydrophobicContact CG-CG1 4.08Å
107V98.5Very high98.3Very high13 Ų1323.6 Ų23.68%0.07911%0.107CC..Hα-helixtrans-67.2-43.7179.3179.20000110.7L12 L33 K36 A37 I40 V103 A104L12-V107 HydrophobicContact CD1-CB 4.42Å; L12-V107 HydrophobicContact CD1-CG1 3.67Å; L12-V107 HydrophobicContact CD2-CB 4.21Å; L12-V107 HydrophobicContact CD2-CG1 3.94Å; L12-V107 HydrophobicContact CG-CG1 4.47Å; L33-V107 HydrophobicContact CD1-CB 4.24Å; L33-V107 HydrophobicContact CD1-CG2 3.85Å; K36-V107 HydrophobicContact CB-CG1 3.86Å; K36-V107 HydrophobicContact CB-CG2 4.2Å; K36-V107 HydrophobicContact CD-CG1 4.36Å; A37-V107 HydrophobicContact CB-CG2 3.72Å; I40-V107 HydrophobicContact CD1-CB 4.24Å; I40-V107 HydrophobicContact CD1-CG1 4.1Å; I40-V107 HydrophobicContact CD1-CG2 4.24Å; V103-V107 HydrophobicContact CG1-CG2 4.48Å; V103-V107 WeakPolarHBondContact O-CG2 3.42Å; V103-V107 PolarHBondContact O-N 3.38Å; A104-V107 PolarHBondContact O-N 3.04Å
108R98Very high98.4Very high74 Ų7423.2 Ų23.228%0.27911%0.105SC..Hα-helixtrans-72.4-36-175.5-177.953.9-176.8834.8114.3A9 L12 D13 I16 A104 M105A9-R108 PolarHBondContact O-NE 3.49Å; L12-R108 HydrophobicContact CB-CB 4.08Å; L12-R108 HydrophobicContact CB-CG 4.24Å; L12-R108 HydrophobicContact CD1-CB 4.23Å; D13-R108 IonicContact OD1-CZ 2.69Å; D13-R108 IonicContact OD1-NE 3.42Å; D13-R108 PolarHBondContact OD1-NE 3.14Å; D13-R108 IonicContact OD1-NH2 2.62Å; D13-R108 PolarHBondContact OD1-NH2 3.18Å; D13-R108 IonicContact OD2-CZ 3.24Å; D13-R108 IonicContact OD2-NE 3.14Å; D13-R108 PolarHBondContact OD2-NE 2.92Å; D13-R108 IonicContact OD2-NH2 3.78Å; D13-R108 PolarHBondContact OD2-NH2 3.37Å; D13-R108 VanDerWaalsContact OD2-NH2 3.11Å; I16-R108 HydrophobicContact CD1-CB 3.64Å; I16-R108 HydrophobicContact CD1-CG 3.8Å; A104-R108 VanDerWaalsContact O-CB 3.24Å; A104-R108 WeakPolarHBondContact O-CB 3.2Å; A104-R108 PolarHBondContact O-N 2.53Å; M105-R108 PolarHBondContact O-N 3.45Å
109F97.5Very high98.3Very high24 Ų2423.3 Ų23.311%0.10511%0.106CC..THydrogen-bonded Turntrans-127.448.1-173.8-49.1-64.1000110.6I16 S77 P78 M105 D111 R112 I113I16-F109 HydrophobicContact CD1-CE2 3.98Å; S77-F109 VanDerWaalsContact OG-CD2 3.22Å; S77-F109 WeakPolarHBondContact OG-CD2 3.42Å; P78-F109 HydrophobicContact CB-CD1 3.79Å; P78-F109 HydrophobicContact CB-CE1 3.82Å; P78-F109 HydrophobicContact CB-CG 4.43Å; P78-F109 HydrophobicContact CB-CZ 4.49Å; P78-F109 HydrophobicContact CG-CD1 4.41Å; P78-F109 HydrophobicContact CG-CE1 3.94Å; P78-F109 HydrophobicContact CG-CZ 4.44Å; M105-F109 HydrophobicContact CB-CD2 4.43Å; M105-F109 WeakPolarHBondContact O-CA 3.15Å; M105-F109 WeakPolarHBondContact O-CB 3.34Å; M105-F109 PolarHBondContact O-N 3.26Å; F109-D111 PolarHBondContact O-N 3.47Å; F109-R112 HydrophobicContact CB-CB 4.19Å; F109-R112 WeakPolarHBondContact O-CA 3.38Å; F109-R112 PolarHBondContact O-N 3.41Å; F109-I113 HydrophobicContact CB-CG1 3.98Å; F109-I113 PolarHBondContact O-N 3.2Å
110K96.1Very high98.3Very high110 Ų11023.8 Ų23.848%0.47811%0.108SC..THydrogen-bonded Turntrans-45.6-36.5-172.270.1-173.8-178-175.70116.4I40 K106I40-K110 HydrophobicContact CD1-CB 4.29Å; I40-K110 HydrophobicContact CG2-CB 4.29Å; K106-K110 PolarHBondContact NZ-O 3.14Å; K106-K110 WeakPolarHBondContact O-CA 3.31Å; K106-K110 PolarHBondContact O-N 3.2Å; K106-K110 VanDerWaalsContact O-N 3.12Å
111D95.9Very high98.3Very high142 Ų14223.8 Ų23.876%0.75911%0.108SC*.THydrogen-bonded Turntrans-90-2.7-177.5-54.7-55.2000113F109F109-D111 PolarHBondContact O-N 3.47Å
112R97.7Very high98.3Very high106 Ų10624 Ų2440%0.411%0.109SC..THydrogen-bonded Turntrans-118.6-17.3-177.3-60-173.1169.4-93.710.1113.5P78 N81 Y82 F109P78-R112 VanDerWaalsContact O-CD 3.31Å; P78-R112 WeakPolarHBondContact O-CD 3.14Å; P78-R112 PolarHBondContact O-NE 3.35Å; P78-R112 PolarHBondContact O-NH1 2.86Å; N81-R112 CarbonylContact C-O 3.57Å; N81-R112 VanDerWaalsContact CA-O 3.24Å; N81-R112 WeakPolarHBondContact CA-O 3.29Å; N81-R112 WeakPolarHBondContact OD1-CB 3.45Å; N81-R112 VanDerWaalsContact OD1-CG 3.3Å; N81-R112 WeakPolarHBondContact OD1-CG 3.38Å; N81-R112 PolarHBondContact OD1-NH1 2.62Å; Y82-R112 PolarHBondContact N-O 3.45Å; F109-R112 HydrophobicContact CB-CB 4.19Å; F109-R112 WeakPolarHBondContact O-CA 3.38Å; F109-R112 PolarHBondContact O-N 3.41Å
113I98.5Very high98.3Very high0 Ų026.7 Ų26.70%012%0.119CC..EExtended strand (participates in β ladder)trans-119.6118.2-178.9-57.6-63.8000108Y82 M105 K106 F109 I115Y82-I113 HydrophobicContact CD2-CD1 4.15Å; Y82-I113 HydrophobicContact CG-CD1 4.45Å; M105-I113 HydrophobicContact CB-CG1 4.15Å; M105-I113 HydrophobicContact CB-CG2 4.48Å; M105-I113 HydrophobicContact CE-CD1 3.86Å; K106-I113 HydrophobicContact CB-CG2 4.11Å; K106-I113 HydrophobicContact CD-CG2 4.47Å; K106-I113 WeakPolarHBondContact CD-O 3.3Å; K106-I113 PolarHBondContact NZ-O 2.95Å; F109-I113 HydrophobicContact CB-CG1 3.98Å; F109-I113 PolarHBondContact O-N 3.2Å; I113-I115 HydrophobicContact CG2-CG2 4.1Å
114T98.9Very high98.1Very high11 Ų1131.3 Ų31.37%0.06714%0.141CC..EExtended strand (participates in β ladder)trans-112.8130.1170.9-54.50000108.2Q48 V50 Y82 L83 F84 L116Q48-T114 HydrophobicContact CB-CG2 4.43Å; Q48-T114 HydrophobicContact CG-CG2 4.01Å; V50-T114 HydrophobicContact CG2-CG2 4.03Å; Y82-T114 PolarHBondContact O-N 3.14Å; L83-T114 WeakPolarHBondContact CA-O 3.17Å; L83-T114 HydrophobicContact CD1-CG2 3.45Å; L83-T114 VanDerWaalsContact CD1-CG2 3.45Å; F84-T114 PolarHBondContact N-O 2.92Å; T114-L116 HydrophobicContact CG2-CD2 4.07Å
115I98.9Very high98.1Very high2 Ų232 Ų321%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-126122178.253.5173.6000107.4L41 F84 Y88 L102 V103 K106 I113 L155L41-I115 HydrophobicContact CD2-CG1 4.47Å; F84-I115 HydrophobicContact CB-CG2 4.25Å; F84-I115 HydrophobicContact CD2-CG2 4.48Å; Y88-I115 HydrophobicContact CE2-CB 4.23Å; Y88-I115 WeakPolarHBondContact OH-CA 3.42Å; Y88-I115 WeakPolarHBondContact OH-CB 3.46Å; L102-I115 HydrophobicContact CB-CG2 4.45Å; V103-I115 HydrophobicContact CG2-CD1 4.37Å; K106-I115 HydrophobicContact CB-CD1 3.88Å; K106-I115 HydrophobicContact CB-CG1 4.32Å; K106-I115 HydrophobicContact CD-CG1 4.2Å; K106-I115 HydrophobicContact CG-CD1 3.9Å; K106-I115 HydrophobicContact CG-CG1 4.08Å; I113-I115 HydrophobicContact CG2-CG2 4.1Å; I115-L155 HydrophobicContact CB-CD2 4.43Å; I115-L155 HydrophobicContact CD1-CD2 3.66Å; I115-L155 HydrophobicContact CG1-CD2 3.74Å
116L98.9Very high98.1Very high0 Ų032 Ų320%015%0.145CC..  trans-97.5165.4178.9-56.1-175.3000110.8L83 F84 M85 Y88 T114 P156 T158 A159L83-L116 HydrophobicContact CD1-CD1 4.02Å; L83-L116 HydrophobicContact CD1-CD2 4.3Å; L83-L116 HydrophobicContact CD1-CG 3.93Å; F84-L116 WeakPolarHBondContact O-CB 3.48Å; F84-L116 PolarHBondContact O-N 3.41Å; M85-L116 HydrophobicContact CG-CD1 4.49Å; Y88-L116 WeakPolarHBondContact CE2-O 3.2Å; Y88-L116 PolarHBondContact OH-N 2.96Å; Y88-L116 PolarHBondContact OH-O 2.98Å; T114-L116 HydrophobicContact CG2-CD2 4.07Å; L116-P156 CarbonylContact C-O 3.48Å; L116-P156 WeakPolarHBondContact CA-O 3.41Å; L116-P156 HydrophobicContact CD2-CB 3.87Å; L116-T158 WeakPolarHBondContact CD2-O 3.36Å; L116-A159 HydrophobicContact CD1-CB 4.06Å; L116-A159 HydrophobicContact CD2-CB 4.09Å
117R98.9Very high97.9Very high0 Ų037 Ų370%017%0.168CC..  trans-82.5128.4174.9-159.7171.7-173.8168.65.6109.7E121 F152 D153 L155 P156 L157 H169 R187 Q189 L201R117-E121 HydrophobicContact CG-CB 3.89Å; R117-E121 PolarHBondContact NE-O 2.9Å; R117-E121 PolarHBondContact NH2-O 3.39Å; R117-F152 WeakPolarHBondContact CD-O 3.43Å; R117-F152 PolarHBondContact NE-O 3.4Å; R117-D153 IonicContact CZ-OD1 3.73Å; R117-D153 IonicContact NH1-OD1 3.69Å; R117-D153 IonicContact NH2-OD1 3.67Å; R117-D153 PolarHBondContact NH2-OD1 2.82Å; R117-L155 HydrophobicContact CB-CB 3.71Å; R117-L155 HydrophobicContact CB-CD1 4.42Å; R117-L155 HydrophobicContact CG-CB 4.13Å; R117-L155 HydrophobicContact CG-CD1 4.33Å; R117-P156 PolarHBondContact N-O 3.06Å; R117-L157 HydrophobicContact CB-CD2 4.41Å; R117-H169 WeakPolarHBondContact O-CB 3.43Å; R117-R187 PolarHBondContact NH1-O 2.84Å; R117-Q189 PolarHBondContact NH1-O 3.04Å; R117-Q189 PolarHBondContact NH2-O 2.96Å; R117-L201 HydrophobicContact CB-CD2 4.45Å; R117-L201 HydrophobicContact CG-CD1 4.42Å; R117-L201 WeakPolarHBondContact O-CD2 3.46Å
118G98.8Very high97.8Very high0 Ų040.5 Ų40.50%019%0.189CC..  trans-96.4179.2162.100000112.3H120 E121 H169G118-H120 VanDerWaalsContact C-N 3.29Å; G118-E121 WeakPolarHBondContact CA-OE2 3.45Å; G118-E121 PolarHBondContact N-OE2 2.87Å; G118-E121 PolarHBondContact O-N 3.3Å; G118-H169 WeakPolarHBondContact CA-CD2 3.32Å; G118-H169 VanDerWaalsContact CA-CG 3.47Å
119N98.5Very high97.7Very high2 Ų240.2 Ų40.21%0.01119%0.188CC..SBendtrans-73.6-25.217565-61.6000111.8D87 E121 S122 I125 H169 L201 W202 H243D87-N119 PolarHBondContact OD1-N 3.09Å; D87-N119 PolarHBondContact OD1-OD1 2.83Å; D87-N119 VanDerWaalsContact OD1-OD1 3.07Å; D87-N119 PolarHBondContact OD2-OD1 2.81Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 3.45Å; N119-S122 WeakPolarHBondContact O-CB 3.4Å; N119-S122 PolarHBondContact O-OG 3.23Å; N119-I125 WeakPolarHBondContact O-CG1 3.29Å; N119-H169 PolarHBondContact N-CD2 3.44Å; N119-H169 VanDerWaalsContact N-CD2 3.34Å; N119-H169 PolarHBondContact OD1-CD2 2.99Å; N119-H169 VanDerWaalsContact OD1-CD2 3.3Å; N119-H169 PolarHBondContact OD1-NE2 3.2Å; N119-L201 HydrophobicContact CB-CB 4.24Å; N119-W202 HydrophobicContact CB-CD2 3.97Å; N119-W202 VanDerWaalsContact CB-CE2 3.48Å; N119-W202 HydrophobicContact CB-CG 4.41Å; N119-W202 HydrophobicContact CB-CH2 4.34Å; N119-W202 HydrophobicContact CB-CZ2 3.69Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.44Å; N119-W202 WeakPolarHBondContact ND2-CZ2 3.22Å; N119-W202 WeakPolarHBondContact ND2-CZ3 3.47Å; N119-H243 PolarHBondContact OD1-CE1 2.7Å; N119-H243 PolarHBondContact OD1-ND1 3.46Å
120H98.5Very high97.5Very high10 Ų1039.2 Ų39.25%0.04618%0.184CC..SBendtrans-74.5-13.9171.6-76-99.1000113.4H61 D87 V89 D90 G118 S122 I125 T126 Y129H61-H120 AromaticContact CE1-CD2 3.54Å; H61-H120 AromaticContact CE1-CE1 3.82Å; H61-H120 AromaticContact CE1-CG 3.75Å; H61-H120 AromaticContact CE1-ND1 3.92Å; H61-H120 AromaticContact CE1-NE2 3.6Å; D87-H120 HydrophobicContact CB-CB 4.36Å; D87-H120 VanDerWaalsContact CG-CD2 3.41Å; D87-H120 VanDerWaalsContact OD1-CB 3.29Å; D87-H120 WeakPolarHBondContact OD1-CB 3.05Å; D87-H120 IonicContact OD1-CD2 3.11Å; D87-H120 PolarHBondContact OD1-CD2 2.9Å; D87-H120 IonicContact OD1-CG 3.31Å; D87-H120 PolarHBondContact OD1-N 3.1Å; D87-H120 IonicContact OD2-CD2 3.91Å; D87-H120 PolarHBondContact OD2-CD2 3.32Å; V89-H120 HydrophobicContact CG2-CB 4.27Å; D90-H120 VanDerWaalsContact CB-ND1 3.31Å; D90-H120 WeakPolarHBondContact CB-ND1 3.43Å; D90-H120 IonicContact OD2-CE1 2.73Å; D90-H120 IonicContact OD2-CG 2.8Å; D90-H120 IonicContact OD2-ND1 3.16Å; D90-H120 PolarHBondContact OD2-ND1 2.96Å; G118-H120 VanDerWaalsContact C-N 3.29Å; H120-S122 PolarHBondContact O-N 2.91Å; H120-I125 HydrophobicContact CB-CG2 4.22Å; H120-I125 VanDerWaalsContact CE1-CG2 3.42Å; H120-I125 WeakPolarHBondContact CE1-CG2 3.38Å; H120-I125 WeakPolarHBondContact ND1-CG2 3.36Å; H120-T126 WeakPolarHBondContact O-CG2 3.44Å; H120-Y129 AromaticContact CE1-CG 3.99Å
121E98.7Very high97.7Very high0 Ų034 Ų340%016%0.162CC..SBendtrans-83.253169.1-75.169.6-132.600111.4D87 Y88 R117 G118 N119 F152 L155D87-E121 PolarHBondContact N-OE2 2.81Å; Y88-E121 HydrophobicContact CD2-CG 4.08Å; Y88-E121 HydrophobicContact CE2-CG 4.44Å; Y88-E121 PolarHBondContact N-OE1 2.91Å; R117-E121 HydrophobicContact CG-CB 3.89Å; R117-E121 PolarHBondContact NE-O 2.9Å; R117-E121 PolarHBondContact NH2-O 3.39Å; G118-E121 WeakPolarHBondContact CA-OE2 3.45Å; G118-E121 PolarHBondContact N-OE2 2.87Å; G118-E121 PolarHBondContact O-N 3.3Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 3.45Å; E121-F152 VanDerWaalsContact CA-CD2 3.48Å; E121-F152 HydrophobicContact CB-CB 3.94Å; E121-F152 HydrophobicContact CB-CD1 4.09Å; E121-F152 HydrophobicContact CB-CD2 3.82Å; E121-F152 HydrophobicContact CB-CE2 4.32Å; E121-F152 HydrophobicContact CB-CG 3.69Å; E121-F152 HydrophobicContact CG-CD1 3.82Å; E121-F152 HydrophobicContact CG-CD2 4.08Å; E121-F152 HydrophobicContact CG-CE1 3.88Å; E121-F152 HydrophobicContact CG-CE2 4.14Å; E121-F152 HydrophobicContact CG-CG 3.92Å; E121-F152 HydrophobicContact CG-CZ 4.04Å; E121-F152 WeakPolarHBondContact O-CB 3.15Å; E121-L155 HydrophobicContact CB-CD1 3.95Å; E121-L155 HydrophobicContact CG-CD1 3.75Å
122S98.4Very high97.8Very high4 Ų430.7 Ų30.73%0.02814%0.139CC..SBendtrans-141.6151.4178.969.30000111.6N119 H120 I125 T126 E190N119-S122 WeakPolarHBondContact O-CB 3.4Å; N119-S122 PolarHBondContact O-OG 3.23Å; H120-S122 PolarHBondContact O-N 2.91Å; S122-I125 WeakPolarHBondContact OG-CB 3.42Å; S122-I125 WeakPolarHBondContact OG-CG1 3.33Å; S122-I125 PolarHBondContact OG-N 2.8Å; S122-T126 WeakPolarHBondContact O-CB 3.29Å; S122-T126 VanDerWaalsContact O-CG2 3.23Å; S122-T126 WeakPolarHBondContact O-CG2 3.46Å; S122-T126 PolarHBondContact O-N 2.9Å; S122-T126 VanDerWaalsContact O-N 3.11Å; S122-T126 PolarHBondContact O-OG1 2.82Å; S122-E190 WeakPolarHBondContact CB-OE1 3.24Å
123R98.2Very high97.8Very high58 Ų5829.3 Ų29.322%0.21914%0.14CC..Hα-helixtrans-66.1-41.4-179.5-67.8169.9-174.985.5-4.1111.4I125 T126 Q127 W145 T149 D150 D153 E190R123-I125 PolarHBondContact O-N 3.46Å; R123-T126 PolarHBondContact O-OG1 3.42Å; R123-Q127 WeakPolarHBondContact O-CB 3.46Å; R123-Q127 VanDerWaalsContact O-CG 3.27Å; R123-Q127 WeakPolarHBondContact O-CG 3Å; R123-Q127 PolarHBondContact O-N 2.89Å; R123-Q127 VanDerWaalsContact O-N 3.16Å; R123-W145 HydrophobicContact CB-CH2 4.13Å; R123-W145 HydrophobicContact CB-CZ2 3.92Å; R123-W145 HydrophobicContact CG-CH2 4.07Å; R123-W145 HydrophobicContact CG-CZ2 4.04Å; R123-T149 HydrophobicContact CG-CG2 3.88Å; R123-D150 IonicContact CZ-OD1 2.96Å; R123-D150 IonicContact NE-OD1 3.03Å; R123-D150 IonicContact NH2-OD1 2.76Å; R123-D150 PolarHBondContact NH2-OD1 2.96Å; R123-D153 IonicContact CZ-OD1 3.21Å; R123-D153 IonicContact CZ-OD2 3.97Å; R123-D153 IonicContact NH1-OD1 2.77Å; R123-D153 PolarHBondContact NH1-OD1 2.9Å; R123-D153 IonicContact NH1-OD2 3.11Å; R123-D153 PolarHBondContact NH1-OD2 2.98Å; R123-D153 IonicContact NH2-OD2 3.76Å; R123-D153 PolarHBondContact NH2-OD2 2.78Å; R123-E190 WeakPolarHBondContact CB-OE1 3.19Å; R123-E190 WeakPolarHBondContact CB-OE2 3.39Å; R123-E190 WeakPolarHBondContact CD-OE2 3.17Å; R123-E190 VanDerWaalsContact CG-OE2 3.22Å; R123-E190 WeakPolarHBondContact CG-OE2 3.41Å; R123-E190 IonicContact CZ-OE2 3.33Å; R123-E190 PolarHBondContact N-OE1 2.97Å; R123-E190 PolarHBondContact N-OE2 2.83Å; R123-E190 IonicContact NE-OE2 3.98Å; R123-E190 IonicContact NH1-OE2 2.74Å; R123-E190 PolarHBondContact NH1-OE2 2.93Å
124Q96Very high97.8Very high101 Ų10129.6 Ų29.647%0.47214%0.141SC..Hα-helixtrans-61.9-45.3-177.9-174.3-177.98.100111.7E190 H193Q124-E190 PolarHBondContact N-OE1 2.74Å; Q124-H193 PolarHBondContact OE1-CE1 3.4Å; Q124-H193 PolarHBondContact OE1-ND1 3.29Å
125I97.5Very high97.7Very high15 Ų1529.1 Ų29.18%0.07714%0.138CC..Hα-helixtrans-73.7-46.3-177-60.1-57.9000110.4N119 H120 S122 R123 Q127 V128 Y129 W202N119-I125 WeakPolarHBondContact O-CG1 3.29Å; H120-I125 HydrophobicContact CB-CG2 4.22Å; H120-I125 VanDerWaalsContact CE1-CG2 3.42Å; H120-I125 WeakPolarHBondContact CE1-CG2 3.38Å; H120-I125 WeakPolarHBondContact ND1-CG2 3.36Å; S122-I125 WeakPolarHBondContact OG-CB 3.42Å; S122-I125 WeakPolarHBondContact OG-CG1 3.33Å; S122-I125 PolarHBondContact OG-N 2.8Å; R123-I125 PolarHBondContact O-N 3.46Å; I125-Q127 PolarHBondContact O-N 2.93Å; I125-V128 PolarHBondContact O-N 3.07Å; I125-Y129 HydrophobicContact CB-CD2 4.38Å; I125-Y129 HydrophobicContact CD1-CE2 4.14Å; I125-Y129 HydrophobicContact CG2-CD2 3.51Å; I125-Y129 HydrophobicContact CG2-CE2 4.07Å; I125-Y129 HydrophobicContact CG2-CG 4.34Å; I125-Y129 WeakPolarHBondContact O-CD2 3.41Å; I125-Y129 PolarHBondContact O-N 3.5Å; I125-W202 HydrophobicContact CD1-CH2 3.76Å; I125-W202 HydrophobicContact CD1-CZ2 3.69Å; I125-W202 HydrophobicContact CG1-CH2 4.36Å; I125-W202 HydrophobicContact CG1-CZ2 3.94Å
126T98.2Very high97.7Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-64.9-24.1-178.653.40000114.8V89 H120 S122 R123 V128 F131 Y132 W145 F152V89-T126 HydrophobicContact CG2-CG2 3.73Å; H120-T126 WeakPolarHBondContact O-CG2 3.44Å; S122-T126 WeakPolarHBondContact O-CB 3.29Å; S122-T126 VanDerWaalsContact O-CG2 3.23Å; S122-T126 WeakPolarHBondContact O-CG2 3.46Å; S122-T126 PolarHBondContact O-N 2.9Å; S122-T126 VanDerWaalsContact O-N 3.11Å; S122-T126 PolarHBondContact O-OG1 2.82Å; R123-T126 PolarHBondContact O-OG1 3.42Å; T126-V128 VanDerWaalsContact C-N 3.27Å; T126-F131 HydrophobicContact CG2-CB 4.01Å; T126-F131 HydrophobicContact CG2-CD1 3.72Å; T126-F131 HydrophobicContact CG2-CG 4.32Å; T126-F131 PolarHBondContact O-N 2.86Å; T126-Y132 VanDerWaalsContact O-CB 3.32Å; T126-Y132 WeakPolarHBondContact O-CB 3.37Å; T126-Y132 PolarHBondContact O-N 3.11Å; T126-W145 PolarHBondContact OG1-NE1 2.83Å; T126-F152 HydrophobicContact CG2-CE2 4.31Å
127Q96.4Very high97.7Very high106 Ų10640.1 Ų40.150%0.49518%0.184SC..THydrogen-bonded Turntrans-68.7-25.2171.8-81.2178.93.600113.3R123 I125 Y132 W145R123-Q127 WeakPolarHBondContact O-CB 3.46Å; R123-Q127 VanDerWaalsContact O-CG 3.27Å; R123-Q127 WeakPolarHBondContact O-CG 3Å; R123-Q127 PolarHBondContact O-N 2.89Å; R123-Q127 VanDerWaalsContact O-N 3.16Å; I125-Q127 PolarHBondContact O-N 2.93Å; Q127-Y132 HydrophobicContact CG-CD2 4.43Å; Q127-W145 HydrophobicContact CG-CH2 4.13Å; Q127-W145 HydrophobicContact CG-CZ2 3.61Å; Q127-W145 VanDerWaalsContact NE2-CH2 3.27Å
128V95.5Very high97.6Very high86 Ų8641.6 Ų41.652%0.52119%0.191SC..THydrogen-bonded Turntrans-104.8-36.4-172.8-179.90000111.7I125 T126 Y309I125-V128 PolarHBondContact O-N 3.07Å; T126-V128 VanDerWaalsContact C-N 3.27Å; V128-Y309 WeakPolarHBondContact O-CB 3.14Å
129Y95.4Very high97.6Very high68 Ų6843.2 Ų43.227%0.26720%0.197SC..SBendtrans-100.79.6-167.8-67.5-82.9000115.7D90 R91 H120 I125 Y309D90-Y129 WeakPolarHBondContact CA-O 3.3Å; D90-Y129 VanDerWaalsContact CB-O 3.29Å; D90-Y129 WeakPolarHBondContact CB-O 3.44Å; R91-Y129 PolarHBondContact N-O 3.01Å; R91-Y129 VanDerWaalsContact N-O 3.17Å; R91-Y129 VanDerWaalsContact NH2-CE1 3.32Å; H120-Y129 AromaticContact CE1-CG 3.99Å; I125-Y129 HydrophobicContact CB-CD2 4.38Å; I125-Y129 HydrophobicContact CD1-CE2 4.14Å; I125-Y129 HydrophobicContact CG2-CD2 3.51Å; I125-Y129 HydrophobicContact CG2-CE2 4.07Å; I125-Y129 HydrophobicContact CG2-CG 4.34Å; I125-Y129 WeakPolarHBondContact O-CD2 3.41Å; I125-Y129 PolarHBondContact O-N 3.5Å; Y129-Y309 WeakPolarHBondContact O-CD2 3.42Å; Y129-Y309 VanDerWaalsContact O-CE2 3.24Å; Y129-Y309 WeakPolarHBondContact O-CE2 3.44Å
130G94.6Very high97.6Very high2 Ų246.2 Ų46.22%0.02123%0.229CC..SBendtrans120.4-20.6159.500000116.5D90 Y132 D133 E134 Y309D90-G130 PolarHBondContact OD1-N 2.77Å; G130-Y132 VanDerWaalsContact C-N 3.35Å; G130-Y132 PolarHBondContact O-N 3.3Å; G130-D133 PolarHBondContact O-N 2.91Å; G130-E134 WeakPolarHBondContact O-CB 3.45Å; G130-E134 PolarHBondContact O-N 2.87Å; G130-Y309 VanDerWaalsContact CA-CE2 3.42Å
131F98.4Very high97.6Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-64.8-38.4-175.6-178-132.9000112.8V89 D90 V96 V99 T126 E134 C135 W145 F148 F152V89-F131 HydrophobicContact CB-CB 4.06Å; V89-F131 HydrophobicContact CB-CD1 4.18Å; V89-F131 HydrophobicContact CB-CD2 4.09Å; V89-F131 HydrophobicContact CB-CG 3.86Å; V89-F131 HydrophobicContact CG1-CD1 4.15Å; V89-F131 HydrophobicContact CG1-CD2 3.99Å; V89-F131 HydrophobicContact CG1-CE1 4.13Å; V89-F131 HydrophobicContact CG1-CE2 3.95Å; V89-F131 HydrophobicContact CG1-CG 4.07Å; V89-F131 HydrophobicContact CG1-CZ 4.02Å; V89-F131 HydrophobicContact CG2-CB 4.28Å; V89-F131 HydrophobicContact CG2-CD1 4.18Å; V89-F131 HydrophobicContact CG2-CG 4.23Å; D90-F131 WeakPolarHBondContact OD1-CB 3.12Å; D90-F131 PolarHBondContact OD1-N 3.4Å; V96-F131 HydrophobicContact CG2-CE2 3.94Å; V99-F131 HydrophobicContact CG1-CE2 4.1Å; V99-F131 HydrophobicContact CG1-CZ 3.89Å; T126-F131 HydrophobicContact CG2-CB 4.01Å; T126-F131 HydrophobicContact CG2-CD1 3.72Å; T126-F131 HydrophobicContact CG2-CG 4.32Å; T126-F131 PolarHBondContact O-N 2.86Å; F131-E134 PolarHBondContact O-N 3.24Å; F131-C135 VanDerWaalsContact CE2-SG 3.56Å; F131-C135 PolarHBondContact O-N 2.83Å; F131-C135 PolarHBondContact O-SG 3.44Å; F131-W145 AromaticContact CD1-CD1 3.69Å; F131-F148 HydrophobicContact CE1-CB 3.77Å; F131-F148 HydrophobicContact CE1-CD2 4.33Å; F131-F148 HydrophobicContact CE1-CG 4.31Å; F131-F148 HydrophobicContact CZ-CB 3.87Å; F131-F148 AromaticContact CZ-CD2 3.58Å; F131-F148 HydrophobicContact CZ-CD2 3.58Å; F131-F148 HydrophobicContact CZ-CE2 4.37Å; F131-F148 AromaticContact CZ-CG 3.9Å; F131-F148 HydrophobicContact CZ-CG 3.9Å; F131-F152 HydrophobicContact CD1-CE2 4.4Å; F131-F152 HydrophobicContact CE1-CE2 4.03Å; F131-F152 AromaticContact CE1-CZ 3.99Å; F131-F152 HydrophobicContact CE1-CZ 3.99Å
132Y98.5Very high97.5Very high73 Ų7349.3 Ų49.329%0.28625%0.249SC..Hα-helixtrans-58.1-52.1173.5177.1-91.8000111.8T126 Q127 G130 E134 C135 L136 A142 W145T126-Y132 VanDerWaalsContact O-CB 3.32Å; T126-Y132 WeakPolarHBondContact O-CB 3.37Å; T126-Y132 PolarHBondContact O-N 3.11Å; Q127-Y132 HydrophobicContact CG-CD2 4.43Å; G130-Y132 VanDerWaalsContact C-N 3.35Å; G130-Y132 PolarHBondContact O-N 3.3Å; Y132-E134 VanDerWaalsContact C-N 3.3Å; Y132-E134 PolarHBondContact O-N 2.83Å; Y132-C135 PolarHBondContact O-N 2.77Å; Y132-L136 HydrophobicContact CE1-CD2 4.45Å; Y132-L136 PolarHBondContact O-N 2.8Å; Y132-A142 HydrophobicContact CE2-CB 3.73Å; Y132-W145 HydrophobicContact CD2-CB 4.4Å; Y132-W145 AromaticContact CD2-CD2 3.56Å; Y132-W145 HydrophobicContact CD2-CD2 3.56Å; Y132-W145 AromaticContact CD2-CE2 3.85Å; Y132-W145 AromaticContact CD2-CE3 3.85Å; Y132-W145 HydrophobicContact CD2-CE3 3.85Å; Y132-W145 AromaticContact CD2-CG 3.79Å; Y132-W145 HydrophobicContact CD2-CG 3.79Å; Y132-W145 HydrophobicContact CD2-CZ2 4.42Å; Y132-W145 HydrophobicContact CD2-CZ3 4.41Å; Y132-W145 HydrophobicContact CE2-CD2 4.27Å; Y132-W145 HydrophobicContact CE2-CE3 4.11Å; Y132-W145 HydrophobicContact CG-CG 4.5Å
133D97.8Very high97.5Very high78 Ų7852.2 Ų52.242%0.41726%0.264SS..Hα-helixtrans-64.2-37-180-75.1-22.7000111.7G130 L136 R137G130-D133 PolarHBondContact O-N 2.91Å; D133-L136 PolarHBondContact O-N 3.23Å; D133-R137 VanDerWaalsContact O-CB 3.26Å; D133-R137 WeakPolarHBondContact O-CB 3.27Å; D133-R137 PolarHBondContact O-N 3.18Å
134E98Very high97.6Very high6 Ų649.4 Ų49.43%0.02825%0.254CS..Hα-helixtrans-61.9-46.5175.6-163.3-171.6134.900111.4S95 V96 G130 F131 Y132 R137 K138S95-E134 WeakPolarHBondContact CB-OE2 3.22Å; S95-E134 VanDerWaalsContact N-CD 3.31Å; S95-E134 PolarHBondContact N-OE1 2.69Å; S95-E134 PolarHBondContact N-OE2 3.48Å; S95-E134 PolarHBondContact OG-OE2 3.11Å; V96-E134 WeakPolarHBondContact CB-OE1 3.49Å; V96-E134 HydrophobicContact CG2-CG 4.26Å; V96-E134 WeakPolarHBondContact CG2-OE1 3.49Å; V96-E134 PolarHBondContact N-OE1 3.47Å; G130-E134 WeakPolarHBondContact O-CB 3.45Å; G130-E134 PolarHBondContact O-N 2.87Å; F131-E134 PolarHBondContact O-N 3.24Å; Y132-E134 VanDerWaalsContact C-N 3.3Å; Y132-E134 PolarHBondContact O-N 2.83Å; E134-R137 PolarHBondContact O-N 2.87Å; E134-K138 HydrophobicContact CG-CD 4.13Å; E134-K138 WeakPolarHBondContact O-CB 3.23Å; E134-K138 WeakPolarHBondContact O-CG 3.42Å; E134-K138 PolarHBondContact O-N 3.25Å; E134-K138 IonicContact OE1-NZ 2.78Å; E134-K138 PolarHBondContact OE1-NZ 3.16Å
135C98.5Very high97.7Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-61.7-47.4175.9-70.60000111.6F131 Y132 R137 K138 Y139 V144 W145F131-C135 VanDerWaalsContact CE2-SG 3.56Å; F131-C135 PolarHBondContact O-N 2.83Å; F131-C135 PolarHBondContact O-SG 3.44Å; Y132-C135 PolarHBondContact O-N 2.77Å; C135-R137 VanDerWaalsContact C-N 3.3Å; C135-R137 PolarHBondContact O-N 2.77Å; C135-K138 PolarHBondContact O-N 3.21Å; C135-Y139 PolarHBondContact O-N 3.03Å; C135-V144 HydrophobicContact CB-CB 4.48Å; C135-W145 HydrophobicContact CB-CB 3.75Å
136L98.1Very high97.8Very high70 Ų7050.6 Ų50.637%0.36626%0.256SS..Hα-helixtrans-58.5-43.6178.7-177.962.5000111.4Y132 D133 G140Y132-L136 HydrophobicContact CE1-CD2 4.45Å; Y132-L136 PolarHBondContact O-N 2.8Å; D133-L136 PolarHBondContact O-N 3.23Å; L136-G140 WeakPolarHBondContact O-CA 3.31Å; L136-G140 PolarHBondContact O-N 2.92Å
137R97.9Very high97.8Very high163 Ų16352.8 Ų52.862%0.61527%0.265SS*.Hα-helixtrans-66.3-41178.4-179.4-178.258.378.4-5.9112.7D133 E134 C135D133-R137 VanDerWaalsContact O-CB 3.26Å; D133-R137 WeakPolarHBondContact O-CB 3.27Å; D133-R137 PolarHBondContact O-N 3.18Å; E134-R137 PolarHBondContact O-N 2.87Å; C135-R137 VanDerWaalsContact C-N 3.3Å; C135-R137 PolarHBondContact O-N 2.77Å
138K98.2Very high97.9Very high32 Ų3247.7 Ų47.714%0.13924%0.241CC..Hα-helixtrans-81.2-30.3-174.7-75.8-178.2175.9171.60114.1Q24 V96 E97 E134 C135Q24-K138 PolarHBondContact NE2-O 3.36Å; V96-K138 HydrophobicContact CB-CD 4Å; V96-K138 HydrophobicContact CG1-CD 4.32Å; V96-K138 HydrophobicContact CG2-CD 3.97Å; E97-K138 WeakPolarHBondContact OE1-CE 3.41Å; E97-K138 IonicContact OE1-NZ 3.07Å; E97-K138 PolarHBondContact OE1-NZ 2.81Å; E97-K138 IonicContact OE2-NZ 3.86Å; E97-K138 PolarHBondContact OE2-NZ 3.03Å; E134-K138 HydrophobicContact CG-CD 4.13Å; E134-K138 WeakPolarHBondContact O-CB 3.23Å; E134-K138 WeakPolarHBondContact O-CG 3.42Å; E134-K138 PolarHBondContact O-N 3.25Å; E134-K138 IonicContact OE1-NZ 2.78Å; E134-K138 PolarHBondContact OE1-NZ 3.16Å; C135-K138 PolarHBondContact O-N 3.21Å
139Y98.3Very high98.1Very high34 Ų3443.7 Ų43.713%0.13322%0.216CC..Hα-helixtrans-116.3-8.4-174.3-65.9-83.3000114.1L25 E27 V96 C135 N141 V144L25-Y139 VanDerWaalsContact O-CE1 3.24Å; L25-Y139 WeakPolarHBondContact O-CE1 3.4Å; L25-Y139 PolarHBondContact O-OH 3.49Å; E27-Y139 HydrophobicContact CB-CD1 4.14Å; V96-Y139 HydrophobicContact CG1-CE2 3.77Å; V96-Y139 HydrophobicContact CG2-CE2 4.33Å; C135-Y139 PolarHBondContact O-N 3.03Å; Y139-N141 PolarHBondContact O-N 2.94Å; Y139-N141 PolarHBondContact O-ND2 2.81Å; Y139-V144 HydrophobicContact CD1-CG2 3.66Å; Y139-V144 HydrophobicContact CD2-CB 3.76Å; Y139-V144 HydrophobicContact CD2-CG1 3.88Å; Y139-V144 HydrophobicContact CD2-CG2 3.54Å; Y139-V144 HydrophobicContact CE1-CG2 3.85Å; Y139-V144 HydrophobicContact CE2-CB 3.94Å; Y139-V144 HydrophobicContact CE2-CG1 3.55Å; Y139-V144 HydrophobicContact CE2-CG2 3.72Å; Y139-V144 HydrophobicContact CG-CB 4.18Å; Y139-V144 HydrophobicContact CG-CG2 3.5Å; Y139-V144 VanDerWaalsContact CG-CG2 3.5Å
140G98.1Very high98.2Very high65 Ų6542.5 Ų42.567%0.6722%0.215SC*.SBendtrans76.12-179.900000114.5L136L136-G140 WeakPolarHBondContact O-CA 3.31Å; L136-G140 PolarHBondContact O-N 2.92Å
141N98.4Very high98.4Very high47 Ų4742.4 Ų42.425%0.25121%0.214SC..SBendtrans-156.3174.7177.770.468.9000110.3E27 Y139 N143E27-N141 PolarHBondContact OE2-ND2 2.75Å; Y139-N141 PolarHBondContact O-N 2.94Å; Y139-N141 PolarHBondContact O-ND2 2.81Å; N141-N143 WeakPolarHBondContact OD1-CB 3.35Å; N141-N143 PolarHBondContact OD1-N 3Å; N141-N143 PolarHBondContact OD1-ND2 3.12Å
142A97.9Very high98.5Very high27 Ų2742.5 Ų42.522%0.22321%0.214CC..SBendtrans-93.88.3-175.600000114.8Y132 V144 W145 K146Y132-A142 HydrophobicContact CE2-CB 3.73Å; A142-V144 PolarHBondContact O-N 3.05Å; A142-W145 PolarHBondContact O-N 2.83Å; A142-K146 PolarHBondContact O-N 2.85Å
143N98.8Very high98.5Very high65 Ų6539.7 Ų39.735%0.34820%0.204SC..Hα-helixtrans-63.8-42.4-173.1-67.9-19.4000112E27 N141 W145 K146 Y147E27-N143 HydrophobicContact CG-CB 4.4Å; E27-N143 WeakPolarHBondContact OE1-CB 3.41Å; E27-N143 PolarHBondContact OE1-ND2 3.43Å; N141-N143 WeakPolarHBondContact OD1-CB 3.35Å; N141-N143 PolarHBondContact OD1-N 3Å; N141-N143 PolarHBondContact OD1-ND2 3.12Å; N143-W145 PolarHBondContact O-N 2.99Å; N143-K146 CarbonylContact O-C 3.03Å; N143-K146 WeakPolarHBondContact O-CB 3.07Å; N143-K146 PolarHBondContact O-N 3.02Å; N143-K146 VanDerWaalsContact O-N 3.13Å; N143-Y147 HydrophobicContact CB-CE2 3.81Å; N143-Y147 WeakPolarHBondContact O-CD2 3.44Å; N143-Y147 PolarHBondContact O-N 2.94Å
144V98.8Very high98.5Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-61.8-44.3178.3172.30000111.1E27 V30 C135 Y139 A142 K146 Y147 F148E27-V144 HydrophobicContact CB-CG2 4.24Å; E27-V144 HydrophobicContact CG-CG2 3.92Å; V30-V144 HydrophobicContact CG1-CG1 3.98Å; V30-V144 HydrophobicContact CG1-CG2 4.49Å; C135-V144 HydrophobicContact CB-CB 4.48Å; Y139-V144 HydrophobicContact CD1-CG2 3.66Å; Y139-V144 HydrophobicContact CD2-CB 3.76Å; Y139-V144 HydrophobicContact CD2-CG1 3.88Å; Y139-V144 HydrophobicContact CD2-CG2 3.54Å; Y139-V144 HydrophobicContact CE1-CG2 3.85Å; Y139-V144 HydrophobicContact CE2-CB 3.94Å; Y139-V144 HydrophobicContact CE2-CG1 3.55Å; Y139-V144 HydrophobicContact CE2-CG2 3.72Å; Y139-V144 HydrophobicContact CG-CB 4.18Å; Y139-V144 HydrophobicContact CG-CG2 3.5Å; Y139-V144 VanDerWaalsContact CG-CG2 3.5Å; A142-V144 PolarHBondContact O-N 3.05Å; V144-K146 VanDerWaalsContact C-N 3.3Å; V144-K146 PolarHBondContact O-N 3.37Å; V144-Y147 PolarHBondContact O-N 3.35Å; V144-F148 HydrophobicContact CG1-CD2 3.84Å; V144-F148 HydrophobicContact CG1-CE2 3.73Å; V144-F148 WeakPolarHBondContact O-CD2 3.27Å; V144-F148 PolarHBondContact O-N 2.84Å
145W98.8Very high98.6Very high26 Ų2638.7 Ų38.710%0.09820%0.195CC..Hα-helixtrans-58.6-43.2173.317382.7000111.6R123 T126 Q127 F131 Y132 C135 A142 N143 F148 T149R123-W145 HydrophobicContact CB-CH2 4.13Å; R123-W145 HydrophobicContact CB-CZ2 3.92Å; R123-W145 HydrophobicContact CG-CH2 4.07Å; R123-W145 HydrophobicContact CG-CZ2 4.04Å; T126-W145 PolarHBondContact OG1-NE1 2.83Å; Q127-W145 HydrophobicContact CG-CH2 4.13Å; Q127-W145 HydrophobicContact CG-CZ2 3.61Å; Q127-W145 VanDerWaalsContact NE2-CH2 3.27Å; F131-W145 AromaticContact CD1-CD1 3.69Å; Y132-W145 HydrophobicContact CD2-CB 4.4Å; Y132-W145 AromaticContact CD2-CD2 3.56Å; Y132-W145 HydrophobicContact CD2-CD2 3.56Å; Y132-W145 AromaticContact CD2-CE2 3.85Å; Y132-W145 AromaticContact CD2-CE3 3.85Å; Y132-W145 HydrophobicContact CD2-CE3 3.85Å; Y132-W145 AromaticContact CD2-CG 3.79Å; Y132-W145 HydrophobicContact CD2-CG 3.79Å; Y132-W145 HydrophobicContact CD2-CZ2 4.42Å; Y132-W145 HydrophobicContact CD2-CZ3 4.41Å; Y132-W145 HydrophobicContact CE2-CD2 4.27Å; Y132-W145 HydrophobicContact CE2-CE3 4.11Å; Y132-W145 HydrophobicContact CG-CG 4.5Å; C135-W145 HydrophobicContact CB-CB 3.75Å; A142-W145 PolarHBondContact O-N 2.83Å; N143-W145 PolarHBondContact O-N 2.99Å; W145-F148 PolarHBondContact O-N 2.84Å; W145-T149 HydrophobicContact CD2-CG2 4.17Å; W145-T149 HydrophobicContact CG-CG2 4.45Å; W145-T149 HydrophobicContact CZ2-CG2 3.88Å; W145-T149 WeakPolarHBondContact O-CB 3.37Å; W145-T149 WeakPolarHBondContact O-CG2 3.01Å; W145-T149 PolarHBondContact O-N 3.03Å; W145-T149 PolarHBondContact O-OG1 3.12Å
146K98.8Very high98.6Very high114 Ų11438.7 Ų38.750%0.49620%0.195SC..Hα-helixtrans-62.6-44.3176.1-175.3177.8178.5179.40112.2A142 N143 V144 F148 T149 D150A142-K146 PolarHBondContact O-N 2.85Å; N143-K146 CarbonylContact O-C 3.03Å; N143-K146 WeakPolarHBondContact O-CB 3.07Å; N143-K146 PolarHBondContact O-N 3.02Å; N143-K146 VanDerWaalsContact O-N 3.13Å; V144-K146 VanDerWaalsContact C-N 3.3Å; V144-K146 PolarHBondContact O-N 3.37Å; K146-F148 VanDerWaalsContact C-N 3.34Å; K146-F148 PolarHBondContact O-N 2.86Å; K146-T149 WeakPolarHBondContact CA-OG1 3.44Å; K146-T149 PolarHBondContact O-N 3.34Å; K146-T149 PolarHBondContact O-OG1 2.85Å; K146-D150 VanDerWaalsContact O-CB 3.31Å; K146-D150 WeakPolarHBondContact O-CB 3.39Å; K146-D150 PolarHBondContact O-N 3.33Å
147Y98.9Very high98.6Very high46 Ų4635.3 Ų35.318%0.1818%0.177CC..Hα-helixtrans-61.3-43.1179.3-58.4-36.3000112E27 V30 K31 N143 V144 L151E27-Y147 HydrophobicContact CG-CE2 3.86Å; V30-Y147 HydrophobicContact CG1-CD2 4.48Å; K31-Y147 HydrophobicContact CB-CD2 3.88Å; K31-Y147 HydrophobicContact CB-CE1 4.45Å; K31-Y147 HydrophobicContact CB-CE2 3.72Å; K31-Y147 HydrophobicContact CB-CG 4.35Å; K31-Y147 HydrophobicContact CD-CE1 4.07Å; K31-Y147 HydrophobicContact CD-CE2 4.41Å; K31-Y147 HydrophobicContact CG-CD1 4.22Å; K31-Y147 HydrophobicContact CG-CD2 4.36Å; K31-Y147 HydrophobicContact CG-CE1 3.96Å; K31-Y147 HydrophobicContact CG-CE2 4.13Å; K31-Y147 HydrophobicContact CG-CG 4.43Å; N143-Y147 HydrophobicContact CB-CE2 3.81Å; N143-Y147 WeakPolarHBondContact O-CD2 3.44Å; N143-Y147 PolarHBondContact O-N 2.94Å; V144-Y147 PolarHBondContact O-N 3.35Å; Y147-L151 WeakPolarHBondContact O-CB 3.47Å; Y147-L151 PolarHBondContact O-N 2.9Å; Y147-L151 VanDerWaalsContact O-N 3.09Å
148F98.9Very high98.7Very high0 Ų027.6 Ų27.60%015%0.148CC..Hα-helixtrans-70.2-45.2177-79.9-61.6000112.8V30 V99 T100 V103 F131 V144 W145 K146 D150 L151 F152V30-F148 HydrophobicContact CG1-CD2 4.19Å; V30-F148 HydrophobicContact CG1-CE2 3.52Å; V30-F148 HydrophobicContact CG1-CZ 3.71Å; V99-F148 HydrophobicContact CG1-CD1 3.96Å; V99-F148 HydrophobicContact CG1-CD2 4.15Å; V99-F148 HydrophobicContact CG1-CE1 3.76Å; V99-F148 HydrophobicContact CG1-CE2 3.92Å; V99-F148 HydrophobicContact CG1-CG 4.17Å; V99-F148 HydrophobicContact CG1-CZ 3.75Å; V99-F148 HydrophobicContact CG2-CD1 4.09Å; V99-F148 HydrophobicContact CG2-CE1 4.19Å; T100-F148 HydrophobicContact CG2-CZ 4.49Å; T100-F148 VanDerWaalsContact OG1-CZ 3.3Å; T100-F148 WeakPolarHBondContact OG1-CZ 3.33Å; V103-F148 HydrophobicContact CG2-CE1 4.27Å; F131-F148 HydrophobicContact CE1-CB 3.77Å; F131-F148 HydrophobicContact CE1-CD2 4.33Å; F131-F148 HydrophobicContact CE1-CG 4.31Å; F131-F148 HydrophobicContact CZ-CB 3.87Å; F131-F148 AromaticContact CZ-CD2 3.58Å; F131-F148 HydrophobicContact CZ-CD2 3.58Å; F131-F148 HydrophobicContact CZ-CE2 4.37Å; F131-F148 AromaticContact CZ-CG 3.9Å; F131-F148 HydrophobicContact CZ-CG 3.9Å; V144-F148 HydrophobicContact CG1-CD2 3.84Å; V144-F148 HydrophobicContact CG1-CE2 3.73Å; V144-F148 WeakPolarHBondContact O-CD2 3.27Å; V144-F148 PolarHBondContact O-N 2.84Å; W145-F148 PolarHBondContact O-N 2.84Å; K146-F148 VanDerWaalsContact C-N 3.34Å; K146-F148 PolarHBondContact O-N 2.86Å; F148-D150 VanDerWaalsContact C-N 3.3Å; F148-D150 PolarHBondContact O-N 3.01Å; F148-L151 HydrophobicContact CD1-CD2 4.28Å; F148-L151 CarbonylContact O-C 3.59Å; F148-L151 WeakPolarHBondContact O-CA 3.24Å; F148-L151 VanDerWaalsContact O-CB 3.29Å; F148-L151 WeakPolarHBondContact O-CB 3.37Å; F148-L151 PolarHBondContact O-N 3.5Å; F148-F152 HydrophobicContact CB-CE1 4.14Å; F148-F152 HydrophobicContact CB-CE2 4.37Å; F148-F152 HydrophobicContact CB-CZ 3.91Å; F148-F152 HydrophobicContact CD1-CE1 4.4Å; F148-F152 WeakPolarHBondContact O-CD1 3.44Å; F148-F152 WeakPolarHBondContact O-CG 3.18Å; F148-F152 PolarHBondContact O-N 3.21Å
149T98.8Very high98.7Very high1 Ų126 Ų261%0.00614%0.142CC..Hα-helixtrans-65.2-34.7178.349.90000112.7R123 W145 K146 L151 F152R123-T149 HydrophobicContact CG-CG2 3.88Å; W145-T149 HydrophobicContact CD2-CG2 4.17Å; W145-T149 HydrophobicContact CG-CG2 4.45Å; W145-T149 HydrophobicContact CZ2-CG2 3.88Å; W145-T149 WeakPolarHBondContact O-CB 3.37Å; W145-T149 WeakPolarHBondContact O-CG2 3.01Å; W145-T149 PolarHBondContact O-N 3.03Å; W145-T149 PolarHBondContact O-OG1 3.12Å; K146-T149 WeakPolarHBondContact CA-OG1 3.44Å; K146-T149 PolarHBondContact O-N 3.34Å; K146-T149 PolarHBondContact O-OG1 2.85Å; T149-L151 VanDerWaalsContact C-N 3.28Å; T149-L151 PolarHBondContact O-N 3.49Å; T149-F152 HydrophobicContact CG2-CD2 4.08Å; T149-F152 HydrophobicContact CG2-CE2 4.26Å; T149-F152 PolarHBondContact O-N 2.93Å
150D98.7Very high98.7Very high43 Ų4324.8 Ų24.823%0.2314%0.137CC..Hα-helixtrans-68.7-26.1170.5-66.8-15.6000112.6K38 R123 K146 F148 Y154K38-D150 VanDerWaalsContact CE-C 3.49Å; K38-D150 WeakPolarHBondContact CE-O 3.45Å; K38-D150 VanDerWaalsContact NZ-CB 3.3Å; K38-D150 PolarHBondContact NZ-O 2.83Å; R123-D150 IonicContact CZ-OD1 2.96Å; R123-D150 IonicContact NE-OD1 3.03Å; R123-D150 IonicContact NH2-OD1 2.76Å; R123-D150 PolarHBondContact NH2-OD1 2.96Å; K146-D150 VanDerWaalsContact O-CB 3.31Å; K146-D150 WeakPolarHBondContact O-CB 3.39Å; K146-D150 PolarHBondContact O-N 3.33Å; F148-D150 VanDerWaalsContact C-N 3.3Å; F148-D150 PolarHBondContact O-N 3.01Å; D150-Y154 VanDerWaalsContact O-CD2 3.31Å; D150-Y154 WeakPolarHBondContact O-CD2 3.46Å; D150-Y154 WeakPolarHBondContact O-CE2 3.46Å
151L98.9Very high98.8Very high0 Ų021.7 Ų21.70%011%0.105CC..Hα-helixtrans-76.2-37.3172.4172.167.4000111.3C34 A37 K38 L41 V103 Y147 F148 T149 D153 Y154C34-L151 HydrophobicContact CB-CB 4.38Å; C34-L151 HydrophobicContact CB-CD2 4.36Å; A37-L151 HydrophobicContact CB-CD1 3.58Å; A37-L151 HydrophobicContact CB-CD2 4.09Å; K38-L151 HydrophobicContact CG-CD1 3.73Å; L41-L151 HydrophobicContact CD1-CD1 3.67Å; L41-L151 HydrophobicContact CD1-CG 4.48Å; V103-L151 HydrophobicContact CB-CD2 4.42Å; V103-L151 HydrophobicContact CG1-CD2 3.77Å; V103-L151 HydrophobicContact CG2-CD2 3.68Å; Y147-L151 WeakPolarHBondContact O-CB 3.47Å; Y147-L151 PolarHBondContact O-N 2.9Å; Y147-L151 VanDerWaalsContact O-N 3.09Å; F148-L151 HydrophobicContact CD1-CD2 4.28Å; F148-L151 CarbonylContact O-C 3.59Å; F148-L151 WeakPolarHBondContact O-CA 3.24Å; F148-L151 VanDerWaalsContact O-CB 3.29Å; F148-L151 WeakPolarHBondContact O-CB 3.37Å; F148-L151 PolarHBondContact O-N 3.5Å; T149-L151 VanDerWaalsContact C-N 3.28Å; T149-L151 PolarHBondContact O-N 3.49Å; L151-D153 PolarHBondContact O-N 2.89Å; L151-Y154 WeakPolarHBondContact O-CB 3.23Å; L151-Y154 PolarHBondContact O-N 2.9Å
152F98.9Very high98.7Very high2 Ų222 Ų221%0.00911%0.107CC..Hα-helixtrans-58.4-31.5-178.2-66.4-16.4000112.9V89 V99 R117 E121 T126 F131 F148 T149 Y154 L155V89-F152 HydrophobicContact CG1-CZ 4.13Å; V89-F152 HydrophobicContact CG2-CE2 4.38Å; V89-F152 HydrophobicContact CG2-CZ 4.43Å; V99-F152 HydrophobicContact CG2-CE1 3.76Å; V99-F152 HydrophobicContact CG2-CZ 4.02Å; R117-F152 WeakPolarHBondContact CD-O 3.43Å; R117-F152 PolarHBondContact NE-O 3.4Å; E121-F152 VanDerWaalsContact CA-CD2 3.48Å; E121-F152 HydrophobicContact CB-CB 3.94Å; E121-F152 HydrophobicContact CB-CD1 4.09Å; E121-F152 HydrophobicContact CB-CD2 3.82Å; E121-F152 HydrophobicContact CB-CE2 4.32Å; E121-F152 HydrophobicContact CB-CG 3.69Å; E121-F152 HydrophobicContact CG-CD1 3.82Å; E121-F152 HydrophobicContact CG-CD2 4.08Å; E121-F152 HydrophobicContact CG-CE1 3.88Å; E121-F152 HydrophobicContact CG-CE2 4.14Å; E121-F152 HydrophobicContact CG-CG 3.92Å; E121-F152 HydrophobicContact CG-CZ 4.04Å; E121-F152 WeakPolarHBondContact O-CB 3.15Å; T126-F152 HydrophobicContact CG2-CE2 4.31Å; F131-F152 HydrophobicContact CD1-CE2 4.4Å; F131-F152 HydrophobicContact CE1-CE2 4.03Å; F131-F152 AromaticContact CE1-CZ 3.99Å; F131-F152 HydrophobicContact CE1-CZ 3.99Å; F148-F152 HydrophobicContact CB-CE1 4.14Å; F148-F152 HydrophobicContact CB-CE2 4.37Å; F148-F152 HydrophobicContact CB-CZ 3.91Å; F148-F152 HydrophobicContact CD1-CE1 4.4Å; F148-F152 WeakPolarHBondContact O-CD1 3.44Å; F148-F152 WeakPolarHBondContact O-CG 3.18Å; F148-F152 PolarHBondContact O-N 3.21Å; T149-F152 HydrophobicContact CG2-CD2 4.08Å; T149-F152 HydrophobicContact CG2-CE2 4.26Å; T149-F152 PolarHBondContact O-N 2.93Å; F152-Y154 PolarHBondContact O-N 2.82Å; F152-Y154 VanDerWaalsContact O-N 3.13Å; F152-L155 HydrophobicContact CB-CD1 4.31Å; F152-L155 HydrophobicContact CD1-CD1 3.84Å; F152-L155 HydrophobicContact CG-CD1 4.39Å; F152-L155 WeakPolarHBondContact O-CB 3.42Å; F152-L155 PolarHBondContact O-N 3.45Å; F152-L155 VanDerWaalsContact O-N 3.14Å
153D98.8Very high98.7Very high15 Ų1525.9 Ų25.98%0.0812%0.124CC..THydrogen-bonded Turntrans-57.3-25.8173-62.6-19.3000113.2R117 R123 L151 R187 I188 Q189R117-D153 IonicContact CZ-OD1 3.73Å; R117-D153 IonicContact NH1-OD1 3.69Å; R117-D153 IonicContact NH2-OD1 3.67Å; R117-D153 PolarHBondContact NH2-OD1 2.82Å; R123-D153 IonicContact CZ-OD1 3.21Å; R123-D153 IonicContact CZ-OD2 3.97Å; R123-D153 IonicContact NH1-OD1 2.77Å; R123-D153 PolarHBondContact NH1-OD1 2.9Å; R123-D153 IonicContact NH1-OD2 3.11Å; R123-D153 PolarHBondContact NH1-OD2 2.98Å; R123-D153 IonicContact NH2-OD2 3.76Å; R123-D153 PolarHBondContact NH2-OD2 2.78Å; L151-D153 PolarHBondContact O-N 2.89Å; D153-R187 CarbonylContact O-C 3.6Å; D153-I188 HydrophobicContact CB-CG2 4.3Å; D153-I188 WeakPolarHBondContact O-CA 3.32Å; D153-Q189 VanDerWaalsContact OD1-C 3.3Å
154Y98.8Very high98.7Very high59 Ų5923.8 Ų23.823%0.23111%0.114CC..THydrogen-bonded Turntrans-90-13.6-177.6-68.7-104.8000113.5K38 D150 L151 F152 R187 I188K38-Y154 HydrophobicContact CB-CD1 4.35Å; K38-Y154 HydrophobicContact CB-CE1 4.42Å; K38-Y154 HydrophobicContact CB-CG 4.49Å; K38-Y154 HydrophobicContact CD-CD2 4.22Å; K38-Y154 HydrophobicContact CD-CE2 3.96Å; K38-Y154 HydrophobicContact CG-CD1 4.35Å; K38-Y154 HydrophobicContact CG-CD2 3.86Å; K38-Y154 HydrophobicContact CG-CE1 4.49Å; K38-Y154 HydrophobicContact CG-CE2 4.04Å; K38-Y154 HydrophobicContact CG-CG 4.04Å; D150-Y154 VanDerWaalsContact O-CD2 3.31Å; D150-Y154 WeakPolarHBondContact O-CD2 3.46Å; D150-Y154 WeakPolarHBondContact O-CE2 3.46Å; L151-Y154 WeakPolarHBondContact O-CB 3.23Å; L151-Y154 PolarHBondContact O-N 2.9Å; F152-Y154 PolarHBondContact O-N 2.82Å; F152-Y154 VanDerWaalsContact O-N 3.13Å; Y154-R187 PolarHBondContact O-NE 3.03Å; Y154-I188 HydrophobicContact CD1-CD1 4.12Å; Y154-I188 HydrophobicContact CD1-CG2 4.49Å; Y154-I188 HydrophobicContact CD2-CG2 4.24Å; Y154-I188 HydrophobicContact CE1-CD1 4Å; Y154-I188 HydrophobicContact CE1-CG2 4.12Å; Y154-I188 HydrophobicContact CE2-CG2 3.81Å
155L98.9Very high98.7Very high3 Ų323.9 Ų23.92%0.01612%0.115CC..SBendtrans-63128.6-176.7-68.3173.5000111.1L41 I115 R117 E121 F152 R187L41-L155 HydrophobicContact CD1-CD2 3.94Å; L41-L155 HydrophobicContact CD2-CD2 4.46Å; I115-L155 HydrophobicContact CB-CD2 4.43Å; I115-L155 HydrophobicContact CD1-CD2 3.66Å; I115-L155 HydrophobicContact CG1-CD2 3.74Å; R117-L155 HydrophobicContact CB-CB 3.71Å; R117-L155 HydrophobicContact CB-CD1 4.42Å; R117-L155 HydrophobicContact CG-CB 4.13Å; R117-L155 HydrophobicContact CG-CD1 4.33Å; E121-L155 HydrophobicContact CB-CD1 3.95Å; E121-L155 HydrophobicContact CG-CD1 3.75Å; F152-L155 HydrophobicContact CB-CD1 4.31Å; F152-L155 HydrophobicContact CD1-CD1 3.84Å; F152-L155 HydrophobicContact CG-CD1 4.39Å; F152-L155 WeakPolarHBondContact O-CB 3.42Å; F152-L155 PolarHBondContact O-N 3.45Å; F152-L155 VanDerWaalsContact O-N 3.14Å; L155-R187 WeakPolarHBondContact O-CD 3.48Å
156P98.8Very high98.7Very high0 Ų022.7 Ų22.70%011%0.11CC..  trans-51144.8170.6-29.436.3000112.6E44 S45 Q48 L116 R117E44-P156 HydrophobicContact CB-CG 3.88Å; S45-P156 WeakPolarHBondContact O-CB 3.43Å; Q48-P156 HydrophobicContact CB-CB 4.28Å; Q48-P156 HydrophobicContact CB-CG 4.47Å; L116-P156 CarbonylContact C-O 3.48Å; L116-P156 WeakPolarHBondContact CA-O 3.41Å; L116-P156 HydrophobicContact CD2-CB 3.87Å; R117-P156 PolarHBondContact N-O 3.06Å
157L98.9Very high98.7Very high0 Ų017.3 Ų17.30%09%0.087CC..SBendtrans-78.9-35.1-179.4-61.3176.8000112N46 R117 L185 R187 M197 L200N46-L157 HydrophobicContact CB-CD1 4.43Å; N46-L157 PolarHBondContact O-N 2.96Å; R117-L157 HydrophobicContact CB-CD2 4.41Å; L157-L185 HydrophobicContact CD1-CB 4.22Å; L157-L185 HydrophobicContact CD1-CD1 3.68Å; L157-R187 HydrophobicContact CD1-CB 4.19Å; L157-R187 HydrophobicContact CD2-CB 4.36Å; L157-R187 HydrophobicContact CG-CB 4.14Å; L157-M197 HydrophobicContact CD1-CG 4.17Å; L157-M197 HydrophobicContact CD2-CE 3.86Å; L157-M197 HydrophobicContact CD2-CG 3.93Å; L157-M197 HydrophobicContact CD2-SD 4.41Å; L157-L200 HydrophobicContact CB-CD1 4.47Å; L157-L200 HydrophobicContact CD1-CD1 4.3Å
158T98.9Very high98.7Very high0 Ų015.1 Ų15.10%08%0.078CC..EExtended strand (participates in β ladder)trans-147166.9-173.781.90000111.1N46 V47 Q48 L116 F166 C167 L168 I182 L200N46-T158 CarbonylContact O-C 3.58Å; N46-T158 WeakPolarHBondContact O-CA 3.34Å; N46-T158 PolarHBondContact O-N 2.99Å; N46-T158 PolarHBondContact O-OG1 3.34Å; N46-T158 VanDerWaalsContact O-OG1 3.05Å; V47-T158 WeakPolarHBondContact CA-OG1 3.49Å; Q48-T158 PolarHBondContact N-O 2.95Å; L116-T158 WeakPolarHBondContact CD2-O 3.36Å; T158-F166 VanDerWaalsContact CB-CE2 3.48Å; T158-F166 HydrophobicContact CG2-CE2 3.74Å; T158-F166 HydrophobicContact CG2-CZ 3.68Å; T158-F166 WeakPolarHBondContact OG1-CE2 3.19Å; T158-C167 CarbonylContact C-O 3.46Å; T158-C167 VanDerWaalsContact CA-O 3.26Å; T158-C167 WeakPolarHBondContact CA-O 3.05Å; T158-C167 WeakPolarHBondContact CB-O 3.32Å; T158-L168 HydrophobicContact CG2-CB 3.92Å; T158-I182 HydrophobicContact CG2-CD1 4.29Å; T158-I182 HydrophobicContact CG2-CG2 3.92Å; T158-L200 HydrophobicContact CG2-CD1 4.36Å; T158-L200 HydrophobicContact CG2-CD2 4.47Å
159A98.9Very high98.7Very high0 Ų015.1 Ų15.10%08%0.078CC..EExtended strand (participates in β ladder)trans-129.6160.817000000111.4Q48 V50 L83 L116 C167Q48-A159 CarbonylContact O-C 3.51Å; Q48-A159 WeakPolarHBondContact O-CA 3.37Å; Q48-A159 WeakPolarHBondContact O-CB 3.35Å; V50-A159 HydrophobicContact CG2-CB 3.94Å; L83-A159 HydrophobicContact CD1-CB 3.63Å; L83-A159 HydrophobicContact CD2-CB 3.89Å; L83-A159 HydrophobicContact CG-CB 4.44Å; L116-A159 HydrophobicContact CD1-CB 4.06Å; L116-A159 HydrophobicContact CD2-CB 4.09Å; A159-C167 HydrophobicContact CB-CB 4.3Å; A159-C167 PolarHBondContact N-O 2.86Å; A159-C167 PolarHBondContact O-N 2.84Å
160L98.8Very high98.7Very high7 Ų715 Ų154%0.0378%0.078CC..EExtended strand (participates in β ladder)trans-131.8109.3174.9-175.965.5000108.9V47 Q48 V50 N163 I165 F166 L179 L236V47-L160 HydrophobicContact CG1-CB 3.79Å; V47-L160 HydrophobicContact CG1-CD2 4.47Å; Q48-L160 PolarHBondContact O-N 3.44Å; V50-L160 PolarHBondContact N-O 3Å; L160-N163 HydrophobicContact CD2-CB 4.38Å; L160-I165 WeakPolarHBondContact CA-O 3.4Å; L160-F166 HydrophobicContact CD1-CB 4.46Å; L160-L179 HydrophobicContact CD1-CD1 4.22Å; L160-L179 HydrophobicContact CD2-CD1 3.88Å; L160-L236 HydrophobicContact CD1-CD2 3.45Å; L160-L236 VanDerWaalsContact CD1-CD2 3.45Å
161V98.7Very high98.7Very high0 Ų013 Ų130%07%0.067CC..EExtended strand (participates in β ladder)trans-84.8119.2178.5-1710000109.1V50 V54 L83 N163 S164 I165 L280 L284V50-V161 HydrophobicContact CB-CG2 4.16Å; V50-V161 HydrophobicContact CG1-CG2 4.28Å; V50-V161 WeakPolarHBondContact O-CA 3.27Å; V54-V161 HydrophobicContact CG1-CG1 3.76Å; V54-V161 HydrophobicContact CG1-CG2 4.23Å; L83-V161 HydrophobicContact CD2-CG2 3.97Å; V161-N163 PolarHBondContact O-N 2.84Å; V161-S164 PolarHBondContact O-N 3.4Å; V161-I165 HydrophobicContact CB-CB 4.22Å; V161-I165 PolarHBondContact N-O 3.33Å; V161-I165 PolarHBondContact O-N 3.48Å; V161-I165 VanDerWaalsContact O-N 3.09Å; V161-L280 HydrophobicContact CB-CD1 4.3Å; V161-L280 HydrophobicContact CG1-CD1 3.95Å; V161-L280 HydrophobicContact CG2-CD1 4.25Å; V161-L284 HydrophobicContact CG1-CD2 4.08Å
162D97.8Very high98.7Very high53 Ų5313.1 Ų13.128%0.2837%0.068SC..THydrogen-bonded Turntrans46.137.3179.3-63-36.9000115V50 R51 S52 S164 L284V50-D162 PolarHBondContact O-N 2.89Å; R51-D162 WeakPolarHBondContact CA-OD1 3.48Å; S52-D162 WeakPolarHBondContact CB-OD2 3.19Å; S52-D162 PolarHBondContact N-OD1 2.81Å; S52-D162 PolarHBondContact N-OD2 2.87Å; S52-D162 PolarHBondContact OG-OD2 3.23Å; D162-S164 PolarHBondContact O-N 2.71Å; D162-L284 HydrophobicContact CB-CD1 4.09Å; D162-L284 HydrophobicContact CB-CD2 4.07Å; D162-L284 HydrophobicContact CB-CG 4.4Å; D162-L284 WeakPolarHBondContact OD2-CD2 3.46Å
163N97.9Very high98.7Very high109 Ų10913.1 Ų13.158%0.5837%0.068SC*.THydrogen-bonded Turntrans59.121-178.5-50.7-63.8000114.8L160 V161L160-N163 HydrophobicContact CD2-CB 4.38Å; V161-N163 PolarHBondContact O-N 2.84Å
164S98Very high98.6Very high21 Ų2114.7 Ų14.715%0.1478%0.079CC..THydrogen-bonded Turntrans-132.3-41.8-171.7-165.40000113.9V161 D162 L236 T237V161-S164 PolarHBondContact O-N 3.4Å; D162-S164 PolarHBondContact O-N 2.71Å; S164-L236 WeakPolarHBondContact O-CA 3.4Å; S164-T237 PolarHBondContact O-N 3.23Å; S164-T237 PolarHBondContact O-OG1 3.13Å; S164-T237 WeakPolarHBondContact OG-CG2 3.41Å; S164-T237 PolarHBondContact OG-OG1 3.01Å
165I98.7Very high98.6Very high3 Ų315.1 Ų15.12%0.0159%0.09CC..EExtended strand (participates in β ladder)trans-107.4116.1-177.4-57175.5000108.7L160 V161 L238 L280 L284L160-I165 WeakPolarHBondContact CA-O 3.4Å; V161-I165 HydrophobicContact CB-CB 4.22Å; V161-I165 PolarHBondContact N-O 3.33Å; V161-I165 PolarHBondContact O-N 3.48Å; V161-I165 VanDerWaalsContact O-N 3.09Å; I165-L238 HydrophobicContact CD1-CD2 4.44Å; I165-L238 HydrophobicContact CG1-CB 4.25Å; I165-L238 HydrophobicContact CG2-CB 4.15Å; I165-L238 HydrophobicContact CG2-CD2 4.01Å; I165-L238 HydrophobicContact CG2-CG 4.13Å; I165-L280 HydrophobicContact CD1-CD1 3.69Å; I165-L280 HydrophobicContact CD1-CD2 3.55Å; I165-L280 HydrophobicContact CD1-CG 4.28Å; I165-L284 HydrophobicContact CD1-CD2 4.16Å
166F98.8Very high98.6Very high1 Ų115.3 Ų15.30%0.0049%0.091CC..EExtended strand (participates in β ladder)trans-90.2122178.8174.8-116.6000110T158 L160 L168 L172 L179 I182 F230 L236 L238 V239 S240T158-F166 VanDerWaalsContact CB-CE2 3.48Å; T158-F166 HydrophobicContact CG2-CE2 3.74Å; T158-F166 HydrophobicContact CG2-CZ 3.68Å; T158-F166 WeakPolarHBondContact OG1-CE2 3.19Å; L160-F166 HydrophobicContact CD1-CB 4.46Å; F166-L168 HydrophobicContact CD1-CD2 4.13Å; F166-L168 HydrophobicContact CE1-CD1 3.72Å; F166-L168 HydrophobicContact CE1-CD2 3.87Å; F166-L168 HydrophobicContact CE1-CG 4.27Å; F166-L168 HydrophobicContact CZ-CB 4.47Å; F166-L168 HydrophobicContact CZ-CD1 4.04Å; F166-L172 HydrophobicContact CE1-CD2 4.11Å; F166-L179 HydrophobicContact CD2-CD2 3.57Å; F166-L179 HydrophobicContact CE2-CD2 3.57Å; F166-L179 HydrophobicContact CG-CD2 4.27Å; F166-L179 HydrophobicContact CZ-CD2 4.29Å; F166-I182 HydrophobicContact CE2-CD1 3.69Å; F166-I182 HydrophobicContact CZ-CD1 3.48Å; F166-I182 VanDerWaalsContact CZ-CD1 3.48Å; F166-F230 AromaticContact CD1-CE1 3.78Å; F166-F230 HydrophobicContact CD1-CE1 3.78Å; F166-F230 HydrophobicContact CD1-CZ 4.44Å; F166-F230 AromaticContact CE1-CE1 3.88Å; F166-F230 HydrophobicContact CE1-CE1 3.88Å; F166-F230 HydrophobicContact CE1-CZ 4.14Å; F166-F230 HydrophobicContact CG-CE1 4.38Å; F166-F230 HydrophobicContact CZ-CZ 4.43Å; F166-L236 HydrophobicContact CB-CD1 3.57Å; F166-L236 HydrophobicContact CB-CD2 4.13Å; F166-L236 HydrophobicContact CB-CG 4.4Å; F166-L236 HydrophobicContact CG-CD1 4.15Å; F166-L238 PolarHBondContact N-O 2.89Å; F166-V239 HydrophobicContact CD1-CG1 4.18Å; F166-V239 HydrophobicContact CD1-CG2 4.25Å; F166-V239 CarbonylContact O-C 3.59Å; F166-V239 WeakPolarHBondContact O-CA 3.44Å; F166-S240 PolarHBondContact O-N 3.44Å
167C98.9Very high98.5Very high0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-116.6136.4-176.5-55.70000111.3L83 M85 T158 A159 S240L83-C167 HydrophobicContact CD2-CB 3.64Å; M85-C167 HydrophobicContact SD-CB 4.17Å; T158-C167 CarbonylContact C-O 3.46Å; T158-C167 VanDerWaalsContact CA-O 3.26Å; T158-C167 WeakPolarHBondContact CA-O 3.05Å; T158-C167 WeakPolarHBondContact CB-O 3.32Å; A159-C167 HydrophobicContact CB-CB 4.3Å; A159-C167 PolarHBondContact N-O 2.86Å; A159-C167 PolarHBondContact O-N 2.84Å; C167-S240 VanDerWaalsContact CA-O 3.23Å; C167-S240 WeakPolarHBondContact CA-O 3.41Å
168L98.9Very high98.5Very high0 Ų022.7 Ų22.70%013%0.133CC..EExtended strand (participates in β ladder)trans-157170.6179.173.4177000110.9T158 F166 G171 L200 V239 S240 R241T158-L168 HydrophobicContact CG2-CB 3.92Å; F166-L168 HydrophobicContact CD1-CD2 4.13Å; F166-L168 HydrophobicContact CE1-CD1 3.72Å; F166-L168 HydrophobicContact CE1-CD2 3.87Å; F166-L168 HydrophobicContact CE1-CG 4.27Å; F166-L168 HydrophobicContact CZ-CB 4.47Å; F166-L168 HydrophobicContact CZ-CD1 4.04Å; L168-G171 WeakPolarHBondContact CD1-O 3.34Å; L168-L200 HydrophobicContact CD1-CD2 3.81Å; L168-V239 HydrophobicContact CD2-CG1 3.56Å; L168-S240 PolarHBondContact N-O 3.48Å; L168-S240 VanDerWaalsContact N-O 3.1Å; L168-R241 HydrophobicContact CD2-CB 3.83Å; L168-R241 VanDerWaalsContact O-CA 3.29Å; L168-R241 WeakPolarHBondContact O-CA 3.42Å
169H98.9Very high98.5Very high0 Ų023.3 Ų23.30%014%0.136CC..SBendtrans-74.2-66.1176.1-17154.9000112.5D59 M85 D87 R117 G118 N119 L201 R241 A242 H243D59-H169 IonicContact OD2-CE1 3.97Å; D59-H169 PolarHBondContact OD2-CE1 3.07Å; M85-H169 WeakPolarHBondContact O-CA 3.23Å; M85-H169 WeakPolarHBondContact O-CB 3.35Å; D87-H169 IonicContact OD1-CD2 2.88Å; D87-H169 IonicContact OD1-CE1 2.7Å; D87-H169 PolarHBondContact OD1-CE1 3Å; D87-H169 IonicContact OD1-NE2 3.46Å; D87-H169 PolarHBondContact OD1-NE2 3.4Å; D87-H169 IonicContact OD2-CE1 3.45Å; D87-H169 PolarHBondContact OD2-CE1 2.93Å; D87-H169 IonicContact OD2-NE2 3.03Å; D87-H169 PolarHBondContact OD2-NE2 2.77Å; R117-H169 WeakPolarHBondContact O-CB 3.43Å; G118-H169 WeakPolarHBondContact CA-CD2 3.32Å; G118-H169 VanDerWaalsContact CA-CG 3.47Å; N119-H169 PolarHBondContact N-CD2 3.44Å; N119-H169 VanDerWaalsContact N-CD2 3.34Å; N119-H169 PolarHBondContact OD1-CD2 2.99Å; N119-H169 VanDerWaalsContact OD1-CD2 3.3Å; N119-H169 PolarHBondContact OD1-NE2 3.2Å; H169-L201 HydrophobicContact CB-CD2 4.19Å; H169-L201 PolarHBondContact CD2-O 3.4Å; H169-R241 PolarHBondContact O-NE 3Å; H169-A242 CarbonylContact O-C 3.52Å; H169-A242 WeakPolarHBondContact O-CA 3.34Å; H169-A242 PolarHBondContact O-N 2.99Å; H169-H243 AromaticContact CD2-ND1 3.79Å; H169-H243 AromaticContact NE2-CG 3.76Å; H169-H243 AromaticContact NE2-ND1 3.24Å; H169-H243 PolarHBondContact NE2-ND1 3.26Å; H169-H243 WeakPolarHBondContact O-CB 3.22Å
170G98.6Very high98.5Very high0 Ų028.1 Ų28.10%016%0.161CC..SBendtrans-80.5-119.4-174.800000110.9L200 S203 R241G170-L200 CarbonylContact C-O 3.57Å; G170-L200 WeakPolarHBondContact CA-O 3.3Å; G170-L200 PolarHBondContact N-O 2.87Å; G170-S203 CarbonylContact C-O 3.05Å; G170-S203 VanDerWaalsContact C-O 3.27Å; G170-R241 WeakPolarHBondContact O-CB 3.42Å; G170-R241 PolarHBondContact O-NE 3.28Å; G170-R241 PolarHBondContact O-NH2 3.34Å
171G98.4Very high98.4Very high0 Ų031.5 Ų31.50%018%0.177CC..  trans-148.3-162.2-17100000112L168 L200 S203L168-G171 WeakPolarHBondContact CD1-O 3.34Å; G171-L200 PolarHBondContact N-O 3.26Å; G171-L200 WeakPolarHBondContact O-CA 3.31Å; G171-S203 WeakPolarHBondContact CA-O 3.42Å; G171-S203 PolarHBondContact N-O 3.42Å; G171-S203 VanDerWaalsContact N-O 3.13Å
172L98.7Very high98.5Very high3 Ų331.5 Ų31.52%0.01618%0.177CC..  trans-78.4163.1-178.7-56.5-179.4000111.3F166 S203 W211 F222 I226 F230F166-L172 HydrophobicContact CE1-CD2 4.11Å; L172-S203 WeakPolarHBondContact O-CB 3.23Å; L172-S203 PolarHBondContact O-OG 2.97Å; L172-W211 VanDerWaalsContact C-CH2 3.5Å; L172-W211 HydrophobicContact CB-CH2 3.65Å; L172-W211 HydrophobicContact CB-CZ3 4.29Å; L172-W211 WeakPolarHBondContact O-CZ3 3.27Å; L172-F222 HydrophobicContact CB-CD1 4.33Å; L172-F222 HydrophobicContact CB-CD2 4.42Å; L172-F222 HydrophobicContact CB-CE1 4.48Å; L172-F222 HydrophobicContact CB-CG 4.31Å; L172-F222 HydrophobicContact CD1-CD2 4.02Å; L172-F222 HydrophobicContact CD1-CE2 3.99Å; L172-F222 HydrophobicContact CG-CD2 4.27Å; L172-F222 HydrophobicContact CG-CE2 4.04Å; L172-F222 HydrophobicContact CG-CZ 4.19Å; L172-I226 HydrophobicContact CD1-CG2 4.1Å; L172-F230 HydrophobicContact CD1-CB 3.78Å; L172-F230 HydrophobicContact CD1-CD1 4.22Å; L172-F230 HydrophobicContact CD1-CG 3.98Å; L172-F230 HydrophobicContact CD2-CD1 3.74Å; L172-F230 HydrophobicContact CD2-CD2 4.36Å; L172-F230 HydrophobicContact CD2-CE1 3.83Å; L172-F230 HydrophobicContact CD2-CE2 4.45Å; L172-F230 HydrophobicContact CD2-CG 4.01Å; L172-F230 HydrophobicContact CD2-CZ 4.19Å
173S98.7Very high98.5Very high2 Ų233.5 Ų33.51%0.01418%0.18CC..  trans-120.6139.4176.2173.80000111S175 I176 D199 W211S173-S175 PolarHBondContact O-N 3.4Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact OG-N 3Å; S173-S175 VanDerWaalsContact OG-N 3.1Å; S173-I176 PolarHBondContact O-N 3.26Å; S173-I176 VanDerWaalsContact O-N 3.16Å; S173-D199 VanDerWaalsContact CB-CB 3.46Å; S173-D199 WeakPolarHBondContact CB-OD2 3.47Å; S173-D199 PolarHBondContact OG-OD2 3.46Å; S173-W211 VanDerWaalsContact C-CZ2 3.46Å; S173-W211 WeakPolarHBondContact O-CH2 3.28Å
174P98.2Very high98.5Very high47 Ų4732.3 Ų32.331%0.30519%0.186SC..THydrogen-bonded Turntrans-65.1-11.917227.6-34.9000113.5W211 Y220P174-W211 VanDerWaalsContact CA-CZ2 3.44Å; P174-W211 HydrophobicContact CB-CD2 3.9Å; P174-W211 HydrophobicContact CB-CE3 4.4Å; P174-W211 HydrophobicContact CB-CG 4.23Å; P174-W211 HydrophobicContact CB-CZ2 4.06Å; P174-W211 HydrophobicContact CG-CD2 4.44Å; P174-W211 HydrophobicContact CG-CE3 4.5Å; P174-W211 VanDerWaalsContact N-CH2 3.32Å; P174-Y220 HydrophobicContact CG-CD1 4.42Å; P174-Y220 HydrophobicContact CG-CD2 3.73Å; P174-Y220 HydrophobicContact CG-CE1 4.29Å; P174-Y220 HydrophobicContact CG-CE2 3.58Å; P174-Y220 HydrophobicContact CG-CG 4.16Å
175S97.8Very high98.5Very high68 Ų6833 Ų3348%0.47619%0.188SC..THydrogen-bonded Turntrans-95.40.7177.9-55.70000113.3S173S173-S175 PolarHBondContact O-N 3.4Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact OG-N 3Å; S173-S175 VanDerWaalsContact OG-N 3.1Å
176I98.4Very high98.5Very high8 Ų838.1 Ų38.14%0.04122%0.215CC..  trans-126.798.7-171.1-59.2179.2000109.6S173 H181 I182 L185 P196 L200 F230S173-I176 PolarHBondContact O-N 3.26Å; S173-I176 VanDerWaalsContact O-N 3.16Å; I176-H181 HydrophobicContact CG2-CB 4.13Å; I176-I182 HydrophobicContact CD1-CG1 4.08Å; I176-I182 HydrophobicContact CG2-CD1 3.96Å; I176-I182 HydrophobicContact CG2-CG1 3.46Å; I176-I182 VanDerWaalsContact CG2-CG1 3.46Å; I176-L185 HydrophobicContact CD1-CD1 4.44Å; I176-P196 HydrophobicContact CD1-CB 3.69Å; I176-P196 HydrophobicContact CG1-CB 3.83Å; I176-L200 HydrophobicContact CD1-CD1 3.64Å; I176-L200 HydrophobicContact CD1-CD2 3.89Å; I176-L200 HydrophobicContact CD1-CG 3.67Å; I176-F230 HydrophobicContact CG2-CE2 4.28Å
177D97.7Very high98.5Very high108 Ų10839 Ų3958%0.57822%0.218SC*.SBendtrans-84.9-33.5174-54.9-59.5000112.1H181 N234D177-H181 PolarHBondContact N-ND1 3.42Å; D177-H181 IonicContact OD2-CE1 3.45Å; D177-H181 PolarHBondContact OD2-CE1 3.07Å; D177-N234 PolarHBondContact O-ND2 2.98Å
178T98.4Very high98.4Very high47 Ų4742.2 Ų42.229%0.28824%0.235SC..SBendtrans-129.9156-172.5690000113.2D180 H181 N234T178-D180 PolarHBondContact O-N 2.76Å; T178-D180 PolarHBondContact OG1-N 3.5Å; T178-H181 WeakPolarHBondContact O-CB 3.48Å; T178-H181 PolarHBondContact O-N 2.99Å; T178-H181 VanDerWaalsContact O-N 3.08Å; T178-H181 PolarHBondContact OG1-CD2 3.04Å; T178-H181 PolarHBondContact OG1-N 3.4Å; T178-N234 WeakPolarHBondContact CA-OD1 3.09Å
179L98.7Very high98.4Very high12 Ų1246 Ų466%0.06325%0.253CS..Hα-helixtrans-58.3-26.1171.3-63.5-177000112.8V47 L160 F166 I182 R183 F230 N234 L236V47-L179 HydrophobicContact CG2-CB 4.45Å; L160-L179 HydrophobicContact CD1-CD1 4.22Å; L160-L179 HydrophobicContact CD2-CD1 3.88Å; F166-L179 HydrophobicContact CD2-CD2 3.57Å; F166-L179 HydrophobicContact CE2-CD2 3.57Å; F166-L179 HydrophobicContact CG-CD2 4.27Å; F166-L179 HydrophobicContact CZ-CD2 4.29Å; L179-I182 HydrophobicContact CD2-CD1 4.01Å; L179-I182 WeakPolarHBondContact O-CB 3.29Å; L179-I182 PolarHBondContact O-N 3.3Å; L179-R183 WeakPolarHBondContact O-CG 3.29Å; L179-R183 PolarHBondContact O-N 3.28Å; L179-F230 HydrophobicContact CD2-CE1 4.46Å; L179-F230 HydrophobicContact CD2-CZ 4.03Å; L179-N234 HydrophobicContact CG-CB 4.25Å; L179-N234 PolarHBondContact N-OD1 3.29Å; L179-L236 HydrophobicContact CD1-CD2 4.3Å
180D98.5Very high98.4Very high101 Ų10148.6 Ų48.654%0.5427%0.265SS..Hα-helixtrans-70.4-31176.6-73.9-27000112.7T178 I182 R183 A184T178-D180 PolarHBondContact O-N 2.76Å; T178-D180 PolarHBondContact OG1-N 3.5Å; D180-I182 PolarHBondContact O-N 3.24Å; D180-R183 PolarHBondContact O-N 3.1Å; D180-R183 IonicContact OD1-CZ 3.69Å; D180-R183 IonicContact OD1-NH1 2.67Å; D180-R183 PolarHBondContact OD1-NH1 3.17Å; D180-A184 PolarHBondContact O-N 2.82Å; D180-A184 VanDerWaalsContact O-N 3.1Å
181H98.6Very high98.4Very high78 Ų7849.1 Ų49.136%0.36127%0.268SS..Hα-helixtrans-60.6-39.9171-65.4-175.1000110.4I176 D177 T178 A184I176-H181 HydrophobicContact CG2-CB 4.13Å; D177-H181 PolarHBondContact N-ND1 3.42Å; D177-H181 IonicContact OD2-CE1 3.45Å; D177-H181 PolarHBondContact OD2-CE1 3.07Å; T178-H181 WeakPolarHBondContact O-CB 3.48Å; T178-H181 PolarHBondContact O-N 2.99Å; T178-H181 VanDerWaalsContact O-N 3.08Å; T178-H181 PolarHBondContact OG1-CD2 3.04Å; T178-H181 PolarHBondContact OG1-N 3.4Å; H181-A184 PolarHBondContact O-N 2.76Å
182I98.8Very high98.3Very high0 Ų051.1 Ų51.10%028%0.281CS..Hα-helixtrans-65.6-46176.7-51.8177.5000110.6N46 V47 T158 F166 I176 L179 D180 A184 L185 L200N46-I182 HydrophobicContact CB-CG2 4Å; N46-I182 VanDerWaalsContact CB-O 3.24Å; N46-I182 WeakPolarHBondContact CB-O 3.44Å; N46-I182 PolarHBondContact ND2-O 3.29Å; V47-I182 HydrophobicContact CG2-CB 3.68Å; V47-I182 HydrophobicContact CG2-CD1 4.47Å; V47-I182 HydrophobicContact CG2-CG2 3.65Å; T158-I182 HydrophobicContact CG2-CD1 4.29Å; T158-I182 HydrophobicContact CG2-CG2 3.92Å; F166-I182 HydrophobicContact CE2-CD1 3.69Å; F166-I182 HydrophobicContact CZ-CD1 3.48Å; F166-I182 VanDerWaalsContact CZ-CD1 3.48Å; I176-I182 HydrophobicContact CD1-CG1 4.08Å; I176-I182 HydrophobicContact CG2-CD1 3.96Å; I176-I182 HydrophobicContact CG2-CG1 3.46Å; I176-I182 VanDerWaalsContact CG2-CG1 3.46Å; L179-I182 HydrophobicContact CD2-CD1 4.01Å; L179-I182 WeakPolarHBondContact O-CB 3.29Å; L179-I182 PolarHBondContact O-N 3.3Å; D180-I182 PolarHBondContact O-N 3.24Å; I182-A184 PolarHBondContact O-N 3.06Å; I182-L185 PolarHBondContact O-N 3.37Å; I182-L185 VanDerWaalsContact O-N 3.15Å; I182-L200 HydrophobicContact CD1-CD2 4.34Å; I182-L200 HydrophobicContact CG1-CD1 4.36Å; I182-L200 HydrophobicContact CG2-CD1 4.03Å
183R98.6Very high98.2Very high95 Ų9557.6 Ų57.636%0.35831%0.311SS..Hα-helixtrans-57.8-31177.9-69.3179.8-174.5104.26.2112.9V47 L179 D180V47-R183 HydrophobicContact CB-CG 3.96Å; V47-R183 HydrophobicContact CG2-CG 3.69Å; L179-R183 WeakPolarHBondContact O-CG 3.29Å; L179-R183 PolarHBondContact O-N 3.28Å; D180-R183 PolarHBondContact O-N 3.1Å; D180-R183 IonicContact OD1-CZ 3.69Å; D180-R183 IonicContact OD1-NH1 2.67Å; D180-R183 PolarHBondContact OD1-NH1 3.17Å
184A98.4Very high98.1Very high85 Ų8565.2 Ų65.270%0.70235%0.347SS*.THydrogen-bonded Turntrans-82.8-9.6-178.500000114.8D180 H181 I182D180-A184 PolarHBondContact O-N 2.82Å; D180-A184 VanDerWaalsContact O-N 3.1Å; H181-A184 PolarHBondContact O-N 2.76Å; I182-A184 PolarHBondContact O-N 3.06Å
185L98.5Very high98.1Very high35 Ų3564.1 Ų64.118%0.18334%0.344CS..SBendtrans-65.2136.5179.5-61.9175.3000111.6N46 L157 I176 I182 R187 P196 L200N46-L185 PolarHBondContact ND2-O 3.04Å; L157-L185 HydrophobicContact CD1-CB 4.22Å; L157-L185 HydrophobicContact CD1-CD1 3.68Å; I176-L185 HydrophobicContact CD1-CD1 4.44Å; I182-L185 PolarHBondContact O-N 3.37Å; I182-L185 VanDerWaalsContact O-N 3.15Å; L185-R187 PolarHBondContact O-N 3.26Å; L185-P196 HydrophobicContact CD1-CB 4.31Å; L185-P196 HydrophobicContact CD2-CB 3.95Å; L185-P196 HydrophobicContact CD2-CG 3.6Å; L185-L200 HydrophobicContact CD1-CD1 3.89Å
186D98Very high98.1Very high110 Ų11062.8 Ų62.859%0.58833%0.333SS*.  trans-78.697.9167.5-176.28.1000109.1I188 Q189D186-I188 PolarHBondContact OD1-N 3.21Å; D186-Q189 PolarHBondContact O-NE2 3.21Å
187R98.1Very high98.1Very high19 Ų1962.8 Ų62.87%0.07233%0.333CS..  trans-84.7-17.7-175.169.2158.4179.5-77.3-0.3114.6L41 E44 N46 R117 D153 Y154 L155 L157 L185 Q189L41-R187 PolarHBondContact O-NH2 3.17Å; E44-R187 PolarHBondContact O-NH1 2.91Å; E44-R187 PolarHBondContact O-NH2 3.46Å; N46-R187 WeakPolarHBondContact OD1-CB 3.14Å; N46-R187 WeakPolarHBondContact OD1-CD 3.25Å; N46-R187 WeakPolarHBondContact OD1-CG 3.37Å; N46-R187 PolarHBondContact OD1-NH1 3.37Å; R117-R187 PolarHBondContact NH1-O 2.84Å; D153-R187 CarbonylContact O-C 3.6Å; Y154-R187 PolarHBondContact O-NE 3.03Å; L155-R187 WeakPolarHBondContact O-CD 3.48Å; L157-R187 HydrophobicContact CD1-CB 4.19Å; L157-R187 HydrophobicContact CD2-CB 4.36Å; L157-R187 HydrophobicContact CG-CB 4.14Å; L185-R187 PolarHBondContact O-N 3.26Å; R187-Q189 PolarHBondContact O-N 3.1Å
188I98.4Very high98.1Very high69 Ų6957.7 Ų57.735%0.35431%0.306SS..SBendtrans-82.465.8-170.2-49.5179.2000110D153 Y154 D186D153-I188 HydrophobicContact CB-CG2 4.3Å; D153-I188 WeakPolarHBondContact O-CA 3.32Å; Y154-I188 HydrophobicContact CD1-CD1 4.12Å; Y154-I188 HydrophobicContact CD1-CG2 4.49Å; Y154-I188 HydrophobicContact CD2-CG2 4.24Å; Y154-I188 HydrophobicContact CE1-CD1 4Å; Y154-I188 HydrophobicContact CE1-CG2 4.12Å; Y154-I188 HydrophobicContact CE2-CG2 3.81Å; D186-I188 PolarHBondContact OD1-N 3.21Å
189Q98.5Very high98.2Very high80 Ų8055.6 Ų55.637%0.37429%0.293SS..SBendtrans-158.6166.2179.957.7-177.7-54.200109.7R117 D153 D186 R187 M197R117-Q189 PolarHBondContact NH1-O 3.04Å; R117-Q189 PolarHBondContact NH2-O 2.96Å; D153-Q189 VanDerWaalsContact OD1-C 3.3Å; D186-Q189 PolarHBondContact O-NE2 3.21Å; R187-Q189 PolarHBondContact O-N 3.1Å; Q189-M197 HydrophobicContact CG-SD 4.45Å
190E98.3Very high98.2Very high53 Ų5355.1 Ų55.125%0.24829%0.29CS..PPolyproline II helixtrans-57.6144.4166.1-178.361.6-166.500110.1S122 R123 Q124 P192S122-E190 WeakPolarHBondContact CB-OE1 3.24Å; R123-E190 WeakPolarHBondContact CB-OE1 3.19Å; R123-E190 WeakPolarHBondContact CB-OE2 3.39Å; R123-E190 WeakPolarHBondContact CD-OE2 3.17Å; R123-E190 VanDerWaalsContact CG-OE2 3.22Å; R123-E190 WeakPolarHBondContact CG-OE2 3.41Å; R123-E190 IonicContact CZ-OE2 3.33Å; R123-E190 PolarHBondContact N-OE1 2.97Å; R123-E190 PolarHBondContact N-OE2 2.83Å; R123-E190 IonicContact NE-OE2 3.98Å; R123-E190 IonicContact NH1-OE2 2.74Å; R123-E190 PolarHBondContact NH1-OE2 2.93Å; Q124-E190 PolarHBondContact N-OE1 2.74Å; E190-P192 WeakPolarHBondContact O-CD 3.02Å; E190-P192 VanDerWaalsContact O-N 3.17Å
191V97.9Very high98.2Very high11 Ų1150.3 Ų50.37%0.06727%0.265CS..PPolyproline II helixtrans-59.1119.1177.3-178.20000109.3M197 L201V191-M197 HydrophobicContact CG2-CE 3.99Å; V191-L201 HydrophobicContact CB-CD1 4.49Å; V191-L201 HydrophobicContact CG1-CD1 3.89Å; V191-L201 HydrophobicContact CG2-CD1 3.7Å
192P97.8Very high98.2Very high43 Ų4348.5 Ų48.528%0.27926%0.255SS..PPolyproline II helixtrans-63.4157176.6-22.734.9000111.9E190 E194 C198E190-P192 WeakPolarHBondContact O-CD 3.02Å; E190-P192 VanDerWaalsContact O-N 3.17Å; P192-E194 VanDerWaalsContact C-N 3.26Å; P192-E194 WeakPolarHBondContact CB-O 3.31Å; P192-E194 PolarHBondContact O-N 2.91Å; P192-C198 WeakPolarHBondContact O-CB 3.18Å
193H95.1Very high98.2Very high138 Ų13848.5 Ų48.564%0.63926%0.255SS*.SBendtrans-70.4-21.9176.6-60.6-54.8000113.4Q124 C198Q124-H193 PolarHBondContact OE1-CE1 3.4Å; Q124-H193 PolarHBondContact OE1-ND1 3.29Å; H193-C198 PolarHBondContact O-SG 2.96Å
194E96.9Very high98.2Very high163 Ų16344.4 Ų44.476%0.76224%0.24SC*.SBendtrans-147.4166.718064.3-179.7-168.800111.2P192P192-E194 VanDerWaalsContact C-N 3.26Å; P192-E194 WeakPolarHBondContact CB-O 3.31Å; P192-E194 PolarHBondContact O-N 2.91Å
195G98Very high98.2Very high24 Ų2441 Ų4125%0.24721%0.211CC..SBendtrans97.1-179.8177.100000113.7M197 C198 D199G195-M197 VanDerWaalsContact C-N 3.3Å; G195-M197 PolarHBondContact O-N 3.33Å; G195-M197 VanDerWaalsContact O-N 3.12Å; G195-C198 WeakPolarHBondContact O-CA 3.5Å; G195-C198 VanDerWaalsContact O-CB 3.31Å; G195-C198 WeakPolarHBondContact O-CB 3.26Å; G195-C198 PolarHBondContact O-N 3.19Å; G195-D199 PolarHBondContact O-N 2.86Å
196P98.3Very high98.1Very high39 Ų3941.1 Ų41.125%0.25321%0.212SC..Hα-helixtrans-57.5-37.6-163.819.1-32.7000114.2I176 L185 L200I176-P196 HydrophobicContact CD1-CB 3.69Å; I176-P196 HydrophobicContact CG1-CB 3.83Å; L185-P196 HydrophobicContact CD1-CB 4.31Å; L185-P196 HydrophobicContact CD2-CB 3.95Å; L185-P196 HydrophobicContact CD2-CG 3.6Å; P196-L200 VanDerWaalsContact O-CG 3.27Å; P196-L200 WeakPolarHBondContact O-CG 3.38Å; P196-L200 PolarHBondContact O-N 3.07Å
197M98.6Very high98Very high9 Ų943.5 Ų43.54%0.04423%0.225CC..Hα-helixtrans-69.6-39.6177.2-177178.8172.500112.2L157 Q189 V191 G195 L201L157-M197 HydrophobicContact CD1-CG 4.17Å; L157-M197 HydrophobicContact CD2-CE 3.86Å; L157-M197 HydrophobicContact CD2-CG 3.93Å; L157-M197 HydrophobicContact CD2-SD 4.41Å; Q189-M197 HydrophobicContact CG-SD 4.45Å; V191-M197 HydrophobicContact CG2-CE 3.99Å; G195-M197 VanDerWaalsContact C-N 3.3Å; G195-M197 PolarHBondContact O-N 3.33Å; G195-M197 VanDerWaalsContact O-N 3.12Å; M197-L201 VanDerWaalsContact O-CG 3.32Å; M197-L201 WeakPolarHBondContact O-CG 3.26Å
198C98.6Very high97.9Very high1 Ų149.8 Ų49.81%0.00725%0.248CC..Hα-helixtrans-62-49.3174.1-178.40000110.1P192 H193 G195 L200 L201 W202P192-C198 WeakPolarHBondContact O-CB 3.18Å; H193-C198 PolarHBondContact O-SG 2.96Å; G195-C198 WeakPolarHBondContact O-CA 3.5Å; G195-C198 VanDerWaalsContact O-CB 3.31Å; G195-C198 WeakPolarHBondContact O-CB 3.26Å; G195-C198 PolarHBondContact O-N 3.19Å; C198-L200 VanDerWaalsContact C-N 3.35Å; C198-L200 PolarHBondContact O-N 2.84Å; C198-L201 PolarHBondContact O-N 3.31Å; C198-W202 WeakPolarHBondContact O-CB 3.47Å; C198-W202 VanDerWaalsContact O-CD1 3.28Å; C198-W202 PolarHBondContact O-N 3.21Å; C198-W202 VanDerWaalsContact SG-CD1 3.55Å
199D98.7Very high97.9Very high3 Ų349.4 Ų49.42%0.01626%0.262CS..Hα-helixtrans-57.6-45.1-178.8-57-21.2000112.2S173 G195 L201 W202 S203 Y220S173-D199 VanDerWaalsContact CB-CB 3.46Å; S173-D199 WeakPolarHBondContact CB-OD2 3.47Å; S173-D199 PolarHBondContact OG-OD2 3.46Å; G195-D199 PolarHBondContact O-N 2.86Å; D199-L201 PolarHBondContact O-N 2.86Å; D199-L201 VanDerWaalsContact O-N 3.1Å; D199-W202 PolarHBondContact O-N 3.48Å; D199-S203 WeakPolarHBondContact O-CB 3.44Å; D199-S203 PolarHBondContact O-N 3.43Å; D199-S203 PolarHBondContact O-OG 3.44Å; D199-Y220 WeakPolarHBondContact OD1-CD2 3.43Å; D199-Y220 WeakPolarHBondContact OD1-CE2 3.24Å
200L98.9Very high97.8Very high1 Ų146.5 Ų46.51%0.00525%0.253CS..Hα-helixtrans-58.9-24177.2-74173.7000113.7L157 T158 L168 G170 G171 I176 I182 L185 P196 C198L157-L200 HydrophobicContact CB-CD1 4.47Å; L157-L200 HydrophobicContact CD1-CD1 4.3Å; T158-L200 HydrophobicContact CG2-CD1 4.36Å; T158-L200 HydrophobicContact CG2-CD2 4.47Å; L168-L200 HydrophobicContact CD1-CD2 3.81Å; G170-L200 CarbonylContact C-O 3.57Å; G170-L200 WeakPolarHBondContact CA-O 3.3Å; G170-L200 PolarHBondContact N-O 2.87Å; G171-L200 PolarHBondContact N-O 3.26Å; G171-L200 WeakPolarHBondContact O-CA 3.31Å; I176-L200 HydrophobicContact CD1-CD1 3.64Å; I176-L200 HydrophobicContact CD1-CD2 3.89Å; I176-L200 HydrophobicContact CD1-CG 3.67Å; I182-L200 HydrophobicContact CD1-CD2 4.34Å; I182-L200 HydrophobicContact CG1-CD1 4.36Å; I182-L200 HydrophobicContact CG2-CD1 4.03Å; L185-L200 HydrophobicContact CD1-CD1 3.89Å; P196-L200 VanDerWaalsContact O-CG 3.27Å; P196-L200 WeakPolarHBondContact O-CG 3.38Å; P196-L200 PolarHBondContact O-N 3.07Å; C198-L200 VanDerWaalsContact C-N 3.35Å; C198-L200 PolarHBondContact O-N 2.84Å
201L98.8Very high97.8Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-103.1-17.2-177-57.7-178.8000113.4R117 N119 H169 V191 M197 C198 D199R117-L201 HydrophobicContact CB-CD2 4.45Å; R117-L201 HydrophobicContact CG-CD1 4.42Å; R117-L201 WeakPolarHBondContact O-CD2 3.46Å; N119-L201 HydrophobicContact CB-CB 4.24Å; H169-L201 HydrophobicContact CB-CD2 4.19Å; H169-L201 PolarHBondContact CD2-O 3.4Å; V191-L201 HydrophobicContact CB-CD1 4.49Å; V191-L201 HydrophobicContact CG1-CD1 3.89Å; V191-L201 HydrophobicContact CG2-CD1 3.7Å; M197-L201 VanDerWaalsContact O-CG 3.32Å; M197-L201 WeakPolarHBondContact O-CG 3.26Å; C198-L201 PolarHBondContact O-N 3.31Å; D199-L201 PolarHBondContact O-N 2.86Å; D199-L201 VanDerWaalsContact O-N 3.1Å
202W98.6Very high97.8Very high40 Ų4048.7 Ų48.715%0.15226%0.263CS..Hα-helixtrans-124.1-18.2-172.2-73.798000115.2N119 I125 C198 D199 R216 A218N119-W202 HydrophobicContact CB-CD2 3.97Å; N119-W202 VanDerWaalsContact CB-CE2 3.48Å; N119-W202 HydrophobicContact CB-CG 4.41Å; N119-W202 HydrophobicContact CB-CH2 4.34Å; N119-W202 HydrophobicContact CB-CZ2 3.69Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.44Å; N119-W202 WeakPolarHBondContact ND2-CZ2 3.22Å; N119-W202 WeakPolarHBondContact ND2-CZ3 3.47Å; I125-W202 HydrophobicContact CD1-CH2 3.76Å; I125-W202 HydrophobicContact CD1-CZ2 3.69Å; I125-W202 HydrophobicContact CG1-CH2 4.36Å; I125-W202 HydrophobicContact CG1-CZ2 3.94Å; C198-W202 WeakPolarHBondContact O-CB 3.47Å; C198-W202 VanDerWaalsContact O-CD1 3.28Å; C198-W202 PolarHBondContact O-N 3.21Å; C198-W202 VanDerWaalsContact SG-CD1 3.55Å; D199-W202 PolarHBondContact O-N 3.48Å; W202-R216 HydrophobicContact CE3-CB 4.08Å; W202-R216 HydrophobicContact CZ3-CB 4.39Å; W202-R216 WeakPolarHBondContact O-CD 3.24Å; W202-A218 HydrophobicContact CB-CB 4.06Å; W202-A218 HydrophobicContact CD2-CB 3.84Å; W202-A218 HydrophobicContact CE3-CB 4.27Å; W202-A218 HydrophobicContact CG-CB 3.75Å
203S98.7Very high97.8Very high0 Ų054.1 Ų54.10%029%0.288CS..  trans-69.8152.2-176.8-69.30000112.6G170 G171 L172 D199 Y220 R241G170-S203 CarbonylContact C-O 3.05Å; G170-S203 VanDerWaalsContact C-O 3.27Å; G171-S203 WeakPolarHBondContact CA-O 3.42Å; G171-S203 PolarHBondContact N-O 3.42Å; G171-S203 VanDerWaalsContact N-O 3.13Å; L172-S203 WeakPolarHBondContact O-CB 3.23Å; L172-S203 PolarHBondContact O-OG 2.97Å; D199-S203 WeakPolarHBondContact O-CB 3.44Å; D199-S203 PolarHBondContact O-N 3.43Å; D199-S203 PolarHBondContact O-OG 3.44Å; S203-Y220 CarbonylContact C-O 3.5Å; S203-Y220 WeakPolarHBondContact CA-O 3.3Å; S203-Y220 WeakPolarHBondContact CB-O 3.34Å; S203-Y220 PolarHBondContact OG-N 2.94Å; S203-Y220 PolarHBondContact OG-O 2.99Å; S203-R241 PolarHBondContact O-NH2 2.91Å
204D98.7Very high97.9Very high9 Ų947.8 Ų47.85%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-131.5144.4-177.9-80.2-28.1000112.6R216 Y220 T221 F222 R241 H243 Q244D204-R216 IonicContact OD1-CZ 3.98Å; D204-R216 IonicContact OD1-NE 3.77Å; D204-R216 IonicContact OD1-NH2 3.82Å; D204-R216 PolarHBondContact OD1-NH2 3.43Å; D204-R216 IonicContact OD2-CZ 3.93Å; D204-R216 IonicContact OD2-NE 2.69Å; D204-R216 PolarHBondContact OD2-NE 3.42Å; D204-R216 IonicContact OD2-NH2 2.77Å; D204-R216 PolarHBondContact OD2-NH2 3.34Å; D204-Y220 PolarHBondContact N-O 3.21Å; D204-T221 CarbonylContact O-C 3.5Å; D204-T221 WeakPolarHBondContact O-CA 3.39Å; D204-F222 WeakPolarHBondContact O-CD1 3.32Å; D204-F222 WeakPolarHBondContact O-CE1 3.44Å; D204-F222 PolarHBondContact O-N 2.85Å; D204-R241 IonicContact OD1-CZ 3.72Å; D204-R241 IonicContact OD1-NH1 2.8Å; D204-R241 PolarHBondContact OD1-NH1 3.23Å; D204-R241 IonicContact OD1-NH2 3.78Å; D204-R241 PolarHBondContact OD1-NH2 3.46Å; D204-H243 IonicContact OD1-CD2 3.74Å; D204-H243 PolarHBondContact OD1-CD2 3.11Å; D204-Q244 VanDerWaalsContact OD1-CG 3.28Å; D204-Q244 WeakPolarHBondContact OD1-CG 3.42Å; D204-Q244 PolarHBondContact OD2-NE2 3.11Å
205P98.4Very high97.8Very high14 Ų1445.7 Ų45.79%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-65.4149.2167.629.3-34.1000110.8F222 H254 V258P205-F222 CarbonylContact C-O 3.51Å; P205-F222 WeakPolarHBondContact CA-O 3.4Å; P205-F222 HydrophobicContact CB-CE1 4.36Å; P205-F222 HydrophobicContact CB-CE2 4.04Å; P205-F222 HydrophobicContact CB-CZ 3.86Å; P205-F222 HydrophobicContact CG-CZ 4.41Å; P205-F222 VanDerWaalsContact N-CE1 3.3Å; P205-H254 VanDerWaalsContact CB-CE1 3.43Å; P205-H254 WeakPolarHBondContact CB-CE1 3.34Å; P205-V258 HydrophobicContact CG-CG1 4.48Å
206D97.4Very high97.7Very high38 Ų3849 Ų4920%0.20326%0.264CS..  trans-146.3149.8-178.9-176.718000110.2R208 T221 F222 G223 H254D206-R208 PolarHBondContact O-N 2.97Å; D206-R208 IonicContact OD1-NE 3.95Å; D206-R208 IonicContact OD2-CZ 3.2Å; D206-R208 IonicContact OD2-NE 2.79Å; D206-R208 PolarHBondContact OD2-NE 3.22Å; D206-R208 IonicContact OD2-NH2 2.74Å; D206-R208 PolarHBondContact OD2-NH2 2.97Å; D206-T221 HydrophobicContact CB-CG2 4.25Å; D206-T221 PolarHBondContact OD2-OG1 3.39Å; D206-F222 PolarHBondContact N-O 3.42Å; D206-G223 WeakPolarHBondContact O-CA 3.23Å; D206-H254 PolarHBondContact O-NE2 3.37Å; D206-H254 VanDerWaalsContact O-NE2 3.17Å
207D96.3Very high97.5Very high160 Ų16050.7 Ų50.786%0.85629%0.29SS*.SBendtrans-70.8-17.8-176.8-67.7-29.5000112.3
208R95.7Very high97.4Very high150 Ų15051.1 Ų51.157%0.56630%0.295SS*.SBendtrans-78.3135.9177.2-63.2179.5-64.2166.23.6110.4D206 G223D206-R208 PolarHBondContact O-N 2.97Å; D206-R208 IonicContact OD1-NE 3.95Å; D206-R208 IonicContact OD2-CZ 3.2Å; D206-R208 IonicContact OD2-NE 2.79Å; D206-R208 PolarHBondContact OD2-NE 3.22Å; D206-R208 IonicContact OD2-NH2 2.74Å; D206-R208 PolarHBondContact OD2-NH2 2.97Å; R208-G223 WeakPolarHBondContact O-CA 3.2Å
209G96.9Very high97.4Very high62 Ų6251.7 Ų51.764%0.63930%0.301SS*.SBendtrans-64.9152.3174.600000113.7D225G209-D225 VanDerWaalsContact CA-OD1 3.28Å; G209-D225 WeakPolarHBondContact CA-OD1 3.41Å
210G98.2Very high97.4Very high19 Ų1955.9 Ų55.920%0.19632%0.317CS..SBendtrans76.6-159.617900000113.9F222 G223 D225G210-F222 CarbonylContact O-C 3.56Å; G210-F222 WeakPolarHBondContact O-CA 3.27Å; G210-G223 PolarHBondContact O-N 3.5Å; G210-D225 PolarHBondContact N-OD1 3.15Å; G210-D225 PolarHBondContact N-OD2 2.85Å
211W98.5Very high97.4Very high94 Ų9456.3 Ų56.336%0.35632%0.319SS..EExtended strand (participates in β ladder)trans-94.4142176-63.4101.4000111.3L172 S173 P174 Y220 T221 F222 I226L172-W211 VanDerWaalsContact C-CH2 3.5Å; L172-W211 HydrophobicContact CB-CH2 3.65Å; L172-W211 HydrophobicContact CB-CZ3 4.29Å; L172-W211 WeakPolarHBondContact O-CZ3 3.27Å; S173-W211 VanDerWaalsContact C-CZ2 3.46Å; S173-W211 WeakPolarHBondContact O-CH2 3.28Å; P174-W211 VanDerWaalsContact CA-CZ2 3.44Å; P174-W211 HydrophobicContact CB-CD2 3.9Å; P174-W211 HydrophobicContact CB-CE3 4.4Å; P174-W211 HydrophobicContact CB-CG 4.23Å; P174-W211 HydrophobicContact CB-CZ2 4.06Å; P174-W211 HydrophobicContact CG-CD2 4.44Å; P174-W211 HydrophobicContact CG-CE3 4.5Å; P174-W211 VanDerWaalsContact N-CH2 3.32Å; W211-Y220 HydrophobicContact CE3-CG 4.35Å; W211-T221 CarbonylContact C-O 3.49Å; W211-T221 WeakPolarHBondContact CA-O 3.31Å; W211-F222 HydrophobicContact CD2-CB 4.44Å; W211-F222 HydrophobicContact CE3-CB 3.69Å; W211-F222 HydrophobicContact CH2-CB 4.11Å; W211-F222 HydrophobicContact CZ3-CB 3.51Å; W211-F222 HydrophobicContact CZ3-CD1 4.43Å; W211-F222 HydrophobicContact CZ3-CG 4.27Å; W211-I226 HydrophobicContact CD2-CG1 4.45Å; W211-I226 HydrophobicContact CH2-CG2 3.66Å; W211-I226 HydrophobicContact CZ2-CG2 3.32Å; W211-I226 HydrophobicContact CZ3-CG2 4.41Å
212G97.8Very high97.4Very high15 Ų1556.3 Ų56.316%0.15532%0.319CS..EExtended strand (participates in β ladder)trans-129.8161.6174.400000112.8S214 Y220 T221G212-S214 PolarHBondContact O-N 3.37Å; G212-Y220 WeakPolarHBondContact O-CA 3.19Å; G212-Y220 WeakPolarHBondContact O-CB 3.23Å; G212-Y220 WeakPolarHBondContact O-CD1 3.46Å; G212-T221 VanDerWaalsContact CA-OG1 3.27Å; G212-T221 WeakPolarHBondContact CA-OG1 3.41Å; G212-T221 PolarHBondContact N-O 2.9Å; G212-T221 PolarHBondContact O-N 2.78Å
213I97Very high97.4Very high157 Ų15754.4 Ų54.481%0.80531%0.312SS*.EExtended strand (participates in β ladder)trans-70.4126.9173.7-62.7174.5000108.5
214S97.4Very high97.4Very high5 Ų557.4 Ų57.44%0.03533%0.326CS..  trans-68.5131.2177.1177.60000111.6G212 R216 G217 A218 G219G212-S214 PolarHBondContact O-N 3.37Å; S214-R216 PolarHBondContact O-N 2.95Å; S214-R216 WeakPolarHBondContact OG-CB 3.48Å; S214-R216 PolarHBondContact OG-N 2.57Å; S214-R216 VanDerWaalsContact OG-N 3.17Å; S214-G217 PolarHBondContact O-N 3.49Å; S214-A218 WeakPolarHBondContact CB-O 3.35Å; S214-A218 PolarHBondContact OG-O 2.96Å; S214-G219 WeakPolarHBondContact CB-O 3.3Å
215P95.4Very high97.3Very high119 Ų11960.2 Ų60.277%0.77334%0.341SS*.THydrogen-bonded Turntrans-68.5-10.1172.730.7-35.4000112.7G217P215-G217 PolarHBondContact O-N 3.01Å
216R93.9Very high97.4Very high93 Ų9360.9 Ų60.935%0.35134%0.344SS..THydrogen-bonded Turntrans-73.3-14176-56.5-174.1-178.8-108.710.1113.1W202 D204 S214 A218 H243W202-R216 HydrophobicContact CE3-CB 4.08Å; W202-R216 HydrophobicContact CZ3-CB 4.39Å; W202-R216 WeakPolarHBondContact O-CD 3.24Å; D204-R216 IonicContact OD1-CZ 3.98Å; D204-R216 IonicContact OD1-NE 3.77Å; D204-R216 IonicContact OD1-NH2 3.82Å; D204-R216 PolarHBondContact OD1-NH2 3.43Å; D204-R216 IonicContact OD2-CZ 3.93Å; D204-R216 IonicContact OD2-NE 2.69Å; D204-R216 PolarHBondContact OD2-NE 3.42Å; D204-R216 IonicContact OD2-NH2 2.77Å; D204-R216 PolarHBondContact OD2-NH2 3.34Å; S214-R216 PolarHBondContact O-N 2.95Å; S214-R216 WeakPolarHBondContact OG-CB 3.48Å; S214-R216 PolarHBondContact OG-N 2.57Å; S214-R216 VanDerWaalsContact OG-N 3.17Å; R216-A218 PolarHBondContact O-N 2.95Å; R216-H243 VanDerWaalsContact CD-NE2 3.34Å; R216-H243 WeakPolarHBondContact CD-NE2 3.28Å; R216-H243 PolarHBondContact NE-NE2 3.24Å; R216-H243 VanDerWaalsContact NE-NE2 3.16Å; R216-H243 PolarHBondContact NH1-CE1 2.98Å; R216-H243 PolarHBondContact NH1-NE2 3.46Å; R216-H243 VanDerWaalsContact NH1-NE2 3.11Å; R216-H243 PolarHBondContact NH2-CD2 3.31Å; R216-H243 VanDerWaalsContact NH2-CD2 3.35Å; R216-H243 PolarHBondContact NH2-O 2.98Å
217G95.3Very high97.4Very high76 Ų7659.1 Ų59.178%0.78433%0.334SS*.SBendtrans77.93.9-172.600000114.1S214 P215S214-G217 PolarHBondContact O-N 3.49Å; P215-G217 PolarHBondContact O-N 3.01Å
218A96.9Very high97.5Very high18 Ų1855 Ų5515%0.14931%0.31CS..SBendtrans-146.4149.3176.400000109.4W202 S214 R216W202-A218 HydrophobicContact CB-CB 4.06Å; W202-A218 HydrophobicContact CD2-CB 3.84Å; W202-A218 HydrophobicContact CE3-CB 4.27Å; W202-A218 HydrophobicContact CG-CB 3.75Å; S214-A218 WeakPolarHBondContact CB-O 3.35Å; S214-A218 PolarHBondContact OG-O 2.96Å; R216-A218 PolarHBondContact O-N 2.95Å
219G97.7Very high97.7Very high13 Ų1352 Ų5213%0.13431%0.308CS..SBendtrans65.2-162.2-17400000114S214S214-G219 WeakPolarHBondContact CB-O 3.3Å
220Y98.4Very high97.8Very high91 Ų9149.6 Ų49.636%0.35728%0.28SS..EExtended strand (participates in β ladder)trans-131.7160.7-175.9-67.2-93000111.7P174 D199 S203 D204 W211 G212P174-Y220 HydrophobicContact CG-CD1 4.42Å; P174-Y220 HydrophobicContact CG-CD2 3.73Å; P174-Y220 HydrophobicContact CG-CE1 4.29Å; P174-Y220 HydrophobicContact CG-CE2 3.58Å; P174-Y220 HydrophobicContact CG-CG 4.16Å; D199-Y220 WeakPolarHBondContact OD1-CD2 3.43Å; D199-Y220 WeakPolarHBondContact OD1-CE2 3.24Å; S203-Y220 CarbonylContact C-O 3.5Å; S203-Y220 WeakPolarHBondContact CA-O 3.3Å; S203-Y220 WeakPolarHBondContact CB-O 3.34Å; S203-Y220 PolarHBondContact OG-N 2.94Å; S203-Y220 PolarHBondContact OG-O 2.99Å; D204-Y220 PolarHBondContact N-O 3.21Å; W211-Y220 HydrophobicContact CE3-CG 4.35Å; G212-Y220 WeakPolarHBondContact O-CA 3.19Å; G212-Y220 WeakPolarHBondContact O-CB 3.23Å; G212-Y220 WeakPolarHBondContact O-CD1 3.46Å
221T98.6Very high97.8Very high10 Ų1048.8 Ų48.86%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-89.3150.2155.866.10000110.4D204 D206 W211 G212D204-T221 CarbonylContact O-C 3.5Å; D204-T221 WeakPolarHBondContact O-CA 3.39Å; D206-T221 HydrophobicContact CB-CG2 4.25Å; D206-T221 PolarHBondContact OD2-OG1 3.39Å; W211-T221 CarbonylContact C-O 3.49Å; W211-T221 WeakPolarHBondContact CA-O 3.31Å; G212-T221 VanDerWaalsContact CA-OG1 3.27Å; G212-T221 WeakPolarHBondContact CA-OG1 3.41Å; G212-T221 PolarHBondContact N-O 2.9Å; G212-T221 PolarHBondContact O-N 2.78Å
222F98.8Very high97.8Very high0 Ų052 Ų520%029%0.29CS..EExtended strand (participates in β ladder)trans-136.6138.1177.763.4-85.1000112.1L172 D204 P205 D206 G210 W211 I226 H254 V258L172-F222 HydrophobicContact CB-CD1 4.33Å; L172-F222 HydrophobicContact CB-CD2 4.42Å; L172-F222 HydrophobicContact CB-CE1 4.48Å; L172-F222 HydrophobicContact CB-CG 4.31Å; L172-F222 HydrophobicContact CD1-CD2 4.02Å; L172-F222 HydrophobicContact CD1-CE2 3.99Å; L172-F222 HydrophobicContact CG-CD2 4.27Å; L172-F222 HydrophobicContact CG-CE2 4.04Å; L172-F222 HydrophobicContact CG-CZ 4.19Å; D204-F222 WeakPolarHBondContact O-CD1 3.32Å; D204-F222 WeakPolarHBondContact O-CE1 3.44Å; D204-F222 PolarHBondContact O-N 2.85Å; P205-F222 CarbonylContact C-O 3.51Å; P205-F222 WeakPolarHBondContact CA-O 3.4Å; P205-F222 HydrophobicContact CB-CE1 4.36Å; P205-F222 HydrophobicContact CB-CE2 4.04Å; P205-F222 HydrophobicContact CB-CZ 3.86Å; P205-F222 HydrophobicContact CG-CZ 4.41Å; P205-F222 VanDerWaalsContact N-CE1 3.3Å; D206-F222 PolarHBondContact N-O 3.42Å; G210-F222 CarbonylContact O-C 3.56Å; G210-F222 WeakPolarHBondContact O-CA 3.27Å; W211-F222 HydrophobicContact CD2-CB 4.44Å; W211-F222 HydrophobicContact CE3-CB 3.69Å; W211-F222 HydrophobicContact CH2-CB 4.11Å; W211-F222 HydrophobicContact CZ3-CB 3.51Å; W211-F222 HydrophobicContact CZ3-CD1 4.43Å; W211-F222 HydrophobicContact CZ3-CG 4.27Å; F222-I226 HydrophobicContact CB-CB 4.15Å; F222-I226 HydrophobicContact CB-CG1 4.43Å; F222-I226 HydrophobicContact CB-CG2 4.01Å; F222-I226 HydrophobicContact CD2-CG2 4.49Å; F222-H254 AromaticContact CD2-CE1 3.84Å; F222-H254 AromaticContact CE2-CE1 3.82Å; F222-H254 PolarHBondContact O-CE1 3.06Å; F222-V258 HydrophobicContact CE2-CG2 4.27Å
223G98.6Very high97.8Very high0 Ų054.9 Ų54.90%031%0.308CS..  trans-81.9174179.700000114.9D206 R208 G210 D225 I226 S227 H254D206-G223 WeakPolarHBondContact O-CA 3.23Å; R208-G223 WeakPolarHBondContact O-CA 3.2Å; G210-G223 PolarHBondContact O-N 3.5Å; G223-D225 VanDerWaalsContact C-N 3.32Å; G223-D225 PolarHBondContact O-N 3.34Å; G223-I226 WeakPolarHBondContact O-CB 3.4Å; G223-I226 PolarHBondContact O-N 2.98Å; G223-S227 PolarHBondContact O-N 2.89Å; G223-H254 VanDerWaalsContact C-CE1 3.41Å; G223-H254 PolarHBondContact O-CE1 3.07Å
224Q98.7Very high97.9Very high62 Ų6248.7 Ų48.729%0.2928%0.277SS..Hα-helixtrans-54.9-45.4176173.6170.8-19.700112.9I226 S227 E228 H254 D255Q224-I226 PolarHBondContact O-N 2.82Å; Q224-S227 PolarHBondContact O-N 3.43Å; Q224-S227 VanDerWaalsContact O-N 3.1Å; Q224-S227 PolarHBondContact O-OG 2.85Å; Q224-E228 HydrophobicContact CG-CG 4.17Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.16Å; Q224-E228 PolarHBondContact NE2-OE1 3.37Å; Q224-E228 WeakPolarHBondContact O-CG 3.35Å; Q224-E228 PolarHBondContact O-N 2.93Å; Q224-H254 HydrophobicContact CB-CB 3.9Å; Q224-H254 HydrophobicContact CG-CB 3.91Å; Q224-D255 VanDerWaalsContact NE2-CG 3.31Å; Q224-D255 PolarHBondContact NE2-OD2 3.38Å
225D98.5Very high97.9Very high68 Ų6855 Ų5536%0.36431%0.31SS..Hα-helixtrans-56-37.5178.860-52000112.6G209 G210 G223 T229G209-D225 VanDerWaalsContact CA-OD1 3.28Å; G209-D225 WeakPolarHBondContact CA-OD1 3.41Å; G210-D225 PolarHBondContact N-OD1 3.15Å; G210-D225 PolarHBondContact N-OD2 2.85Å; G223-D225 VanDerWaalsContact C-N 3.32Å; G223-D225 PolarHBondContact O-N 3.34Å; D225-T229 VanDerWaalsContact O-CB 3.24Å; D225-T229 WeakPolarHBondContact O-CB 3.3Å; D225-T229 PolarHBondContact O-N 2.97Å; D225-T229 PolarHBondContact O-OG1 3.39Å
226I98.7Very high98.1Very high29 Ų2950 Ų5015%0.14928%0.276CS..Hα-helixtrans-68.2-48.7176.5-59.3-55.4000110.7L172 W211 F222 G223 Q224 E228 T229 F230L172-I226 HydrophobicContact CD1-CG2 4.1Å; W211-I226 HydrophobicContact CD2-CG1 4.45Å; W211-I226 HydrophobicContact CH2-CG2 3.66Å; W211-I226 HydrophobicContact CZ2-CG2 3.32Å; W211-I226 HydrophobicContact CZ3-CG2 4.41Å; F222-I226 HydrophobicContact CB-CB 4.15Å; F222-I226 HydrophobicContact CB-CG1 4.43Å; F222-I226 HydrophobicContact CB-CG2 4.01Å; F222-I226 HydrophobicContact CD2-CG2 4.49Å; G223-I226 WeakPolarHBondContact O-CB 3.4Å; G223-I226 PolarHBondContact O-N 2.98Å; Q224-I226 PolarHBondContact O-N 2.82Å; I226-E228 PolarHBondContact O-N 3.4Å; I226-T229 PolarHBondContact O-N 3.31Å; I226-F230 WeakPolarHBondContact O-CB 3.49Å; I226-F230 PolarHBondContact O-N 2.89Å
227S98.7Very high98.3Very high0 Ų049.7 Ų49.70%029%0.285CS..Hα-helixtrans-65.8-38.8-178.961.80000113.1G223 Q224 F230 N231 H254G223-S227 PolarHBondContact O-N 2.89Å; Q224-S227 PolarHBondContact O-N 3.43Å; Q224-S227 VanDerWaalsContact O-N 3.1Å; Q224-S227 PolarHBondContact O-OG 2.85Å; S227-F230 PolarHBondContact O-N 2.89Å; S227-N231 WeakPolarHBondContact O-CB 3.42Å; S227-N231 PolarHBondContact O-N 2.97Å; S227-H254 WeakPolarHBondContact OG-CB 3.25Å; S227-H254 PolarHBondContact OG-ND1 2.78Å
228E98.5Very high98.4Very high74 Ų7446.4 Ų46.435%0.34625%0.25SC..Hα-helixtrans-64-46.5174.7-75.6178.317500111.2Q224 I226 F230 N231 H232 N257Q224-E228 HydrophobicContact CG-CG 4.17Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.16Å; Q224-E228 PolarHBondContact NE2-OE1 3.37Å; Q224-E228 WeakPolarHBondContact O-CG 3.35Å; Q224-E228 PolarHBondContact O-N 2.93Å; I226-E228 PolarHBondContact O-N 3.4Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F230 PolarHBondContact O-N 3.25Å; E228-N231 PolarHBondContact O-N 2.69Å; E228-H232 VanDerWaalsContact O-CB 3.26Å; E228-H232 WeakPolarHBondContact O-CB 3.26Å; E228-H232 PolarHBondContact O-N 3.33Å; E228-N257 WeakPolarHBondContact CG-ND2 3.05Å
229T98.6Very high98.5Very high86 Ų8645.5 Ų45.553%0.52824%0.242SC..Hα-helixtrans-61.6-43.9178.3-61.40000111.1D225 I226 S233D225-T229 VanDerWaalsContact O-CB 3.24Å; D225-T229 WeakPolarHBondContact O-CB 3.3Å; D225-T229 PolarHBondContact O-N 2.97Å; D225-T229 PolarHBondContact O-OG1 3.39Å; I226-T229 PolarHBondContact O-N 3.31Å; T229-S233 VanDerWaalsContact O-CB 3.23Å; T229-S233 WeakPolarHBondContact O-CB 2.96Å; T229-S233 PolarHBondContact O-N 2.85Å; T229-S233 PolarHBondContact O-OG 2.92Å
230F98.8Very high98.6Very high13 Ų1344.9 Ų44.96%0.05724%0.236CC..Hα-helixtrans-64-47.8178.4-176-95.4000111.7F166 L172 I176 L179 I226 S227 E228 S233 N234 L236 V239F166-F230 AromaticContact CD1-CE1 3.78Å; F166-F230 HydrophobicContact CD1-CE1 3.78Å; F166-F230 HydrophobicContact CD1-CZ 4.44Å; F166-F230 AromaticContact CE1-CE1 3.88Å; F166-F230 HydrophobicContact CE1-CE1 3.88Å; F166-F230 HydrophobicContact CE1-CZ 4.14Å; F166-F230 HydrophobicContact CG-CE1 4.38Å; F166-F230 HydrophobicContact CZ-CZ 4.43Å; L172-F230 HydrophobicContact CD1-CB 3.78Å; L172-F230 HydrophobicContact CD1-CD1 4.22Å; L172-F230 HydrophobicContact CD1-CG 3.98Å; L172-F230 HydrophobicContact CD2-CD1 3.74Å; L172-F230 HydrophobicContact CD2-CD2 4.36Å; L172-F230 HydrophobicContact CD2-CE1 3.83Å; L172-F230 HydrophobicContact CD2-CE2 4.45Å; L172-F230 HydrophobicContact CD2-CG 4.01Å; L172-F230 HydrophobicContact CD2-CZ 4.19Å; I176-F230 HydrophobicContact CG2-CE2 4.28Å; L179-F230 HydrophobicContact CD2-CE1 4.46Å; L179-F230 HydrophobicContact CD2-CZ 4.03Å; I226-F230 WeakPolarHBondContact O-CB 3.49Å; I226-F230 PolarHBondContact O-N 2.89Å; S227-F230 PolarHBondContact O-N 2.89Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F230 PolarHBondContact O-N 3.25Å; F230-S233 PolarHBondContact O-N 2.78Å; F230-N234 WeakPolarHBondContact O-CB 3.3Å; F230-N234 PolarHBondContact O-N 2.86Å; F230-N234 PolarHBondContact O-ND2 3.25Å; F230-L236 HydrophobicContact CD1-CD1 4.03Å; F230-L236 HydrophobicContact CE1-CD1 3.65Å; F230-V239 HydrophobicContact CD1-CG2 4.48Å
231N98.8Very high98.6Very high2 Ų240.6 Ų40.61%0.01122%0.219CC..Hα-helixtrans-60-50.3177.8-81-15.2000111.4S227 E228 S233 N234 N235 L236 V239 N257S227-N231 WeakPolarHBondContact O-CB 3.42Å; S227-N231 PolarHBondContact O-N 2.97Å; E228-N231 PolarHBondContact O-N 2.69Å; N231-S233 PolarHBondContact O-N 2.82Å; N231-N234 PolarHBondContact O-N 2.85Å; N231-N235 PolarHBondContact O-N 2.98Å; N231-L236 HydrophobicContact CB-CB 4.27Å; N231-L236 PolarHBondContact O-N 3.04Å; N231-V239 VanDerWaalsContact OD1-CG2 3.25Å; N231-V239 WeakPolarHBondContact OD1-CG2 3.29Å; N231-N257 WeakPolarHBondContact ND2-CB 3.43Å; N231-N257 PolarHBondContact ND2-O 3.07Å; N231-N257 PolarHBondContact ND2-OD1 2.9Å
232H98.5Very high98.6Very high160 Ų16040.1 Ų40.174%0.74122%0.216SC*.Hα-helixtrans-59.3-48178.9177-89.2000112E228 N234 N235E228-H232 VanDerWaalsContact O-CB 3.26Å; E228-H232 WeakPolarHBondContact O-CB 3.26Å; E228-H232 PolarHBondContact O-N 3.33Å; H232-N234 VanDerWaalsContact C-N 3.27Å; H232-N234 PolarHBondContact O-N 2.83Å; H232-N235 PolarHBondContact O-N 3.23Å
233S98.2Very high98.6Very high77 Ų7740.6 Ų40.654%0.53822%0.219SC..Hα-helixtrans-68.2-26.4-176.2-55.90000113.2T229 F230 N231T229-S233 VanDerWaalsContact O-CB 3.23Å; T229-S233 WeakPolarHBondContact O-CB 2.96Å; T229-S233 PolarHBondContact O-N 2.85Å; T229-S233 PolarHBondContact O-OG 2.92Å; F230-S233 PolarHBondContact O-N 2.78Å; N231-S233 PolarHBondContact O-N 2.82Å
234N98.6Very high98.5Very high27 Ų2743 Ų4314%0.14423%0.23CC..THydrogen-bonded Turntrans-102.27.3178.9-70-82.4000113.5D177 T178 L179 F230 N231 H232 L236D177-N234 PolarHBondContact O-ND2 2.98Å; T178-N234 WeakPolarHBondContact CA-OD1 3.09Å; L179-N234 HydrophobicContact CG-CB 4.25Å; L179-N234 PolarHBondContact N-OD1 3.29Å; F230-N234 WeakPolarHBondContact O-CB 3.3Å; F230-N234 PolarHBondContact O-N 2.86Å; F230-N234 PolarHBondContact O-ND2 3.25Å; N231-N234 PolarHBondContact O-N 2.85Å; H232-N234 VanDerWaalsContact C-N 3.27Å; H232-N234 PolarHBondContact O-N 2.83Å; N234-L236 VanDerWaalsContact C-N 3.27Å; N234-L236 HydrophobicContact CB-CD1 3.76Å; N234-L236 HydrophobicContact CB-CG 3.79Å; N234-L236 PolarHBondContact O-N 3Å
235N98.4Very high98.5Very high136 Ų13643.5 Ų43.573%0.72723%0.234SC*.THydrogen-bonded Turntrans53.443.3-176.8-170.363.8000112.8N231 H232N231-N235 PolarHBondContact O-N 2.98Å; H232-N235 PolarHBondContact O-N 3.23Å
236L98.6Very high98.4Very high14 Ų1441.1 Ų41.17%0.07322%0.222CC..  trans-101.7151.4177.6-55.1169.7000110.4L160 S164 F166 L179 F230 N231 N234L160-L236 HydrophobicContact CD1-CD2 3.45Å; L160-L236 VanDerWaalsContact CD1-CD2 3.45Å; S164-L236 WeakPolarHBondContact O-CA 3.4Å; F166-L236 HydrophobicContact CB-CD1 3.57Å; F166-L236 HydrophobicContact CB-CD2 4.13Å; F166-L236 HydrophobicContact CB-CG 4.4Å; F166-L236 HydrophobicContact CG-CD1 4.15Å; L179-L236 HydrophobicContact CD1-CD2 4.3Å; F230-L236 HydrophobicContact CD1-CD1 4.03Å; F230-L236 HydrophobicContact CE1-CD1 3.65Å; N231-L236 HydrophobicContact CB-CB 4.27Å; N231-L236 PolarHBondContact O-N 3.04Å; N234-L236 VanDerWaalsContact C-N 3.27Å; N234-L236 HydrophobicContact CB-CD1 3.76Å; N234-L236 HydrophobicContact CB-CG 3.79Å; N234-L236 PolarHBondContact O-N 3Å
237T98Very high98.3Very high88 Ų8844.6 Ų44.654%0.5424%0.239SC..SBendtrans-97.4-22.1174.553.90000112.7S164S164-T237 PolarHBondContact O-N 3.23Å; S164-T237 PolarHBondContact O-OG1 3.13Å; S164-T237 WeakPolarHBondContact OG-CG2 3.41Å; S164-T237 PolarHBondContact OG-OG1 3.01Å
238L98.5Very high98.3Very high6 Ų650 Ų503%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-161.7139.4-169.6177.359.1000111.5I165 F166 W252 V259 M278I165-L238 HydrophobicContact CD1-CD2 4.44Å; I165-L238 HydrophobicContact CG1-CB 4.25Å; I165-L238 HydrophobicContact CG2-CB 4.15Å; I165-L238 HydrophobicContact CG2-CD2 4.01Å; I165-L238 HydrophobicContact CG2-CG 4.13Å; F166-L238 PolarHBondContact N-O 2.89Å; L238-W252 HydrophobicContact CD1-CE3 4.47Å; L238-W252 HydrophobicContact CD1-CH2 4.02Å; L238-W252 HydrophobicContact CD1-CZ3 3.48Å; L238-W252 VanDerWaalsContact CD1-CZ3 3.48Å; L238-W252 HydrophobicContact CD2-CH2 3.95Å; L238-W252 HydrophobicContact CD2-CZ3 4.29Å; L238-V259 HydrophobicContact CD1-CB 4.31Å; L238-V259 HydrophobicContact CD1-CG1 4Å; L238-V259 HydrophobicContact CD2-CG1 3.95Å; L238-V259 HydrophobicContact CG-CG1 4.27Å; L238-M278 HydrophobicContact CD2-SD 4.45Å
239V98.9Very high98.3Very high0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-96.3118.1157.7-178.30000109F166 L168 F230 N231 N257 V258 V259F166-V239 HydrophobicContact CD1-CG1 4.18Å; F166-V239 HydrophobicContact CD1-CG2 4.25Å; F166-V239 CarbonylContact O-C 3.59Å; F166-V239 WeakPolarHBondContact O-CA 3.44Å; L168-V239 HydrophobicContact CD2-CG1 3.56Å; F230-V239 HydrophobicContact CD1-CG2 4.48Å; N231-V239 VanDerWaalsContact OD1-CG2 3.25Å; N231-V239 WeakPolarHBondContact OD1-CG2 3.29Å; V239-N257 PolarHBondContact N-O 3.45Å; V239-V258 HydrophobicContact CB-CG1 4.5Å; V239-V258 HydrophobicContact CB-CG2 4.22Å; V239-V258 CarbonylContact O-C 3.49Å; V239-V258 VanDerWaalsContact O-CA 3.3Å; V239-V258 WeakPolarHBondContact O-CA 3.41Å; V239-V259 PolarHBondContact O-N 3.09Å
240S98.8Very high98.3Very high0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-103.2124.7171.3-176.40000109.3F166 C167 L168 I261 M278F166-S240 PolarHBondContact O-N 3.44Å; C167-S240 VanDerWaalsContact CA-O 3.23Å; C167-S240 WeakPolarHBondContact CA-O 3.41Å; L168-S240 PolarHBondContact N-O 3.48Å; L168-S240 VanDerWaalsContact N-O 3.1Å; S240-I261 WeakPolarHBondContact OG-CD1 3.33Å; S240-M278 WeakPolarHBondContact OG-CE 3.45Å
241R98.8Very high98.3Very high0 Ų048 Ų480%025%0.251CS..EExtended strand (participates in β ladder)trans-139.5168.1-172.771.884.150.9151.2-0.7113.6M85 L168 H169 G170 S203 D204 Q244 V258 V259 T260 I261M85-R241 WeakPolarHBondContact CE-O 3.44Å; L168-R241 HydrophobicContact CD2-CB 3.83Å; L168-R241 VanDerWaalsContact O-CA 3.29Å; L168-R241 WeakPolarHBondContact O-CA 3.42Å; H169-R241 PolarHBondContact O-NE 3Å; G170-R241 WeakPolarHBondContact O-CB 3.42Å; G170-R241 PolarHBondContact O-NE 3.28Å; G170-R241 PolarHBondContact O-NH2 3.34Å; S203-R241 PolarHBondContact O-NH2 2.91Å; D204-R241 IonicContact OD1-CZ 3.72Å; D204-R241 IonicContact OD1-NH1 2.8Å; D204-R241 PolarHBondContact OD1-NH1 3.23Å; D204-R241 IonicContact OD1-NH2 3.78Å; D204-R241 PolarHBondContact OD1-NH2 3.46Å; R241-Q244 VanDerWaalsContact NH1-CG 3.25Å; R241-V258 HydrophobicContact CG-CG1 3.92Å; R241-V259 PolarHBondContact N-O 3.21Å; R241-T260 VanDerWaalsContact CD-OG1 3.29Å; R241-T260 WeakPolarHBondContact CD-OG1 3.39Å; R241-T260 CarbonylContact O-C 3.49Å; R241-T260 VanDerWaalsContact O-CA 3.29Å; R241-T260 WeakPolarHBondContact O-CA 3.41Å; R241-I261 PolarHBondContact O-N 3.19Å
242A98.7Very high98.2Very high0 Ų050.3 Ų50.30%026%0.259CS..  trans-119-139.8-175.200000111.3D59 M85 H169 Q244 I261D59-A242 WeakPolarHBondContact OD1-CB 3.49Å; M85-A242 HydrophobicContact CB-CB 3.92Å; M85-A242 HydrophobicContact CE-CB 4.05Å; H169-A242 CarbonylContact O-C 3.52Å; H169-A242 WeakPolarHBondContact O-CA 3.34Å; H169-A242 PolarHBondContact O-N 2.99Å; A242-Q244 PolarHBondContact O-N 3.49Å; A242-I261 WeakPolarHBondContact CA-O 3.42Å
243H98.4Very high98.2Very high11 Ų1143.8 Ų43.85%0.05123%0.231CC..SBendtrans70.1-27.1159.7-171.764.4000117.6D59 D87 N119 H169 D204 R216D59-H243 PolarHBondContact OD1-N 2.96Å; D59-H243 WeakPolarHBondContact OD2-CA 3.41Å; D59-H243 PolarHBondContact OD2-N 3.32Å; D87-H243 IonicContact OD2-ND1 3.78Å; N119-H243 PolarHBondContact OD1-CE1 2.7Å; N119-H243 PolarHBondContact OD1-ND1 3.46Å; H169-H243 AromaticContact CD2-ND1 3.79Å; H169-H243 AromaticContact NE2-CG 3.76Å; H169-H243 AromaticContact NE2-ND1 3.24Å; H169-H243 PolarHBondContact NE2-ND1 3.26Å; H169-H243 WeakPolarHBondContact O-CB 3.22Å; D204-H243 IonicContact OD1-CD2 3.74Å; D204-H243 PolarHBondContact OD1-CD2 3.11Å; R216-H243 VanDerWaalsContact CD-NE2 3.34Å; R216-H243 WeakPolarHBondContact CD-NE2 3.28Å; R216-H243 PolarHBondContact NE-NE2 3.24Å; R216-H243 VanDerWaalsContact NE-NE2 3.16Å; R216-H243 PolarHBondContact NH1-CE1 2.98Å; R216-H243 PolarHBondContact NH1-NE2 3.46Å; R216-H243 VanDerWaalsContact NH1-NE2 3.11Å; R216-H243 PolarHBondContact NH2-CD2 3.31Å; R216-H243 VanDerWaalsContact NH2-CD2 3.35Å; R216-H243 PolarHBondContact NH2-O 2.98Å
244Q97.8Very high98.2Very high51 Ų5140.6 Ų40.624%0.23821%0.208CC..SBendtrans-100.3120.6173.1-85.1175.8-34.800110.1D204 R241 A242 V246 T260 F262D204-Q244 VanDerWaalsContact OD1-CG 3.28Å; D204-Q244 WeakPolarHBondContact OD1-CG 3.42Å; D204-Q244 PolarHBondContact OD2-NE2 3.11Å; R241-Q244 VanDerWaalsContact NH1-CG 3.25Å; A242-Q244 PolarHBondContact O-N 3.49Å; Q244-V246 PolarHBondContact O-N 3.27Å; Q244-T260 HydrophobicContact CB-CG2 3.94Å; Q244-T260 WeakPolarHBondContact O-CG2 3.47Å; Q244-F262 WeakPolarHBondContact O-CD2 3.46Å
245L97.2Very high98.1Very high71 Ų7145.3 Ų45.337%0.37223%0.233SC..  trans-57.6122.7167.4176.568.2000109.7F262 Y267 C271 N273L245-F262 HydrophobicContact CB-CE2 4.39Å; L245-F262 HydrophobicContact CB-CZ 4.42Å; L245-F262 HydrophobicContact CD1-CD1 3.79Å; L245-F262 HydrophobicContact CD1-CE1 3.55Å; L245-F262 HydrophobicContact CD1-CG 4.42Å; L245-F262 HydrophobicContact CD1-CZ 3.99Å; L245-Y267 HydrophobicContact CD1-CD1 4.18Å; L245-Y267 HydrophobicContact CD1-CG 4.31Å; L245-Y267 HydrophobicContact CD2-CD1 4.27Å; L245-C271 HydrophobicContact CD2-CB 4.04Å; L245-N273 HydrophobicContact CD1-CB 4.01Å; L245-N273 VanDerWaalsContact CD1-CG 3.45Å
246V96.9Very high98.1Very high19 Ų1946.2 Ų46.212%0.11523%0.226CC..  trans-124.5133.9174.3-71.20000109.4Q244 E248 G249 N251 T260 F262Q244-V246 PolarHBondContact O-N 3.27Å; V246-E248 VanDerWaalsContact C-N 3.3Å; V246-E248 PolarHBondContact O-N 3.45Å; V246-G249 VanDerWaalsContact CG2-C 3.41Å; V246-G249 PolarHBondContact O-N 2.91Å; V246-G249 VanDerWaalsContact O-N 3.07Å; V246-N251 HydrophobicContact CB-CB 4.27Å; V246-N251 HydrophobicContact CG1-CB 3.74Å; V246-T260 HydrophobicContact CG1-CG2 3.91Å; V246-T260 HydrophobicContact CG2-CG2 4.33Å; V246-F262 HydrophobicContact CG2-CB 3.8Å
247M97.7Very high98.1Very high102 Ų10247 Ų4750%0.50223%0.231SC..THydrogen-bonded Turntrans-64.1-33.6-168.5-70-53.8-59.300113.7G249 N273 Q274M247-G249 VanDerWaalsContact C-N 3.33Å; M247-N273 HydrophobicContact CE-CB 4.05Å; M247-N273 CarbonylContact O-C 3.53Å; M247-N273 VanDerWaalsContact O-CA 3.29Å; M247-N273 WeakPolarHBondContact O-CA 3.41Å; M247-N273 WeakPolarHBondContact O-CB 3.21Å; M247-N273 HydrophobicContact SD-CB 4.05Å; M247-Q274 PolarHBondContact O-N 3.2Å
248E97.9Very high98.1Very high112 Ų11242.9 Ų42.952%0.52321%0.205SC..THydrogen-bonded Turntrans-91.45.3179.5-58.6-58.8137.700112.6V246 F250 Q290V246-E248 VanDerWaalsContact C-N 3.3Å; V246-E248 PolarHBondContact O-N 3.45Å; E248-F250 PolarHBondContact O-N 3.19Å; E248-Q290 PolarHBondContact O-NE2 3.3Å
249G98Very high98.1Very high0 Ų042.6 Ų42.60%020%0.204CC..SBendtrans79.7-18.3-176.300000114.7V246 M247 F262 Q274 A276V246-G249 VanDerWaalsContact CG2-C 3.41Å; V246-G249 PolarHBondContact O-N 2.91Å; V246-G249 VanDerWaalsContact O-N 3.07Å; M247-G249 VanDerWaalsContact C-N 3.33Å; G249-F262 PolarHBondContact O-N 3.26Å; G249-Q274 VanDerWaalsContact CA-O 3.23Å; G249-Q274 WeakPolarHBondContact CA-O 3.29Å; G249-Q274 PolarHBondContact N-O 2.98Å; G249-A276 VanDerWaalsContact C-CB 3.47Å; G249-A276 WeakPolarHBondContact O-CB 3.25Å
250F98.4Very high98.1Very high48 Ų4842.7 Ų42.721%0.21120%0.204CC..EExtended strand (participates in β ladder)trans-144.1157.1167.673.2-78.9000111.9E248 W252 T260 A276 F288 Q290E248-F250 PolarHBondContact O-N 3.19Å; F250-W252 AromaticContact CE2-CD1 3.99Å; F250-W252 AromaticContact CE2-NE1 3.92Å; F250-T260 CarbonylContact C-O 3.52Å; F250-T260 WeakPolarHBondContact CA-O 3.34Å; F250-T260 WeakPolarHBondContact CB-O 3.22Å; F250-A276 HydrophobicContact CB-CB 4.12Å; F250-A276 HydrophobicContact CD1-CB 3.89Å; F250-A276 HydrophobicContact CG-CB 4.47Å; F250-F288 HydrophobicContact CB-CD1 3.9Å; F250-F288 HydrophobicContact CB-CE1 4.04Å; F250-F288 HydrophobicContact CD1-CB 4.01Å; F250-F288 HydrophobicContact CD1-CD1 4Å; F250-F288 HydrophobicContact CD1-CG 4.04Å; F250-F288 AromaticContact CD2-CD1 3.8Å; F250-F288 HydrophobicContact CD2-CD1 3.8Å; F250-F288 HydrophobicContact CD2-CD2 4.08Å; F250-F288 AromaticContact CD2-CE1 3.89Å; F250-F288 HydrophobicContact CD2-CE1 3.89Å; F250-F288 HydrophobicContact CD2-CE2 4.18Å; F250-F288 AromaticContact CD2-CG 3.91Å; F250-F288 HydrophobicContact CD2-CG 3.91Å; F250-F288 HydrophobicContact CD2-CZ 4.11Å; F250-F288 HydrophobicContact CE1-CB 3.83Å; F250-F288 HydrophobicContact CE1-CG 4.09Å; F250-F288 HydrophobicContact CE2-CB 4.5Å; F250-F288 HydrophobicContact CE2-CD1 4.33Å; F250-F288 AromaticContact CE2-CD2 3.86Å; F250-F288 HydrophobicContact CE2-CD2 3.86Å; F250-F288 HydrophobicContact CE2-CE2 4.17Å; F250-F288 AromaticContact CE2-CG 3.96Å; F250-F288 HydrophobicContact CE2-CG 3.96Å; F250-F288 HydrophobicContact CG-CB 4.43Å; F250-F288 AromaticContact CG-CD1 3.61Å; F250-F288 HydrophobicContact CG-CD1 3.61Å; F250-F288 HydrophobicContact CG-CE1 4Å; F250-F288 AromaticContact CG-CG 3.95Å; F250-F288 HydrophobicContact CG-CG 3.95Å; F250-F288 HydrophobicContact CZ-CB 4.09Å; F250-F288 HydrophobicContact CZ-CD2 4.17Å; F250-F288 HydrophobicContact CZ-CG 4.05Å; F250-Q290 HydrophobicContact CD1-CG 4.16Å; F250-Q290 HydrophobicContact CE1-CG 3.92Å
251N98.3Very high98.1Very high83 Ų8342.7 Ų42.744%0.44420%0.204SC..EExtended strand (participates in β ladder)trans-148.5138.7173.6-174.447.8000111.6V246 V259 T260V246-N251 HydrophobicContact CB-CB 4.27Å; V246-N251 HydrophobicContact CG1-CB 3.74Å; N251-V259 WeakPolarHBondContact O-CA 3.31Å; N251-T260 PolarHBondContact N-O 3.35Å; N251-T260 PolarHBondContact O-N 3.34Å
252W98.3Very high98.1Very high52 Ų5242.8 Ų42.820%0.19721%0.205CC..EExtended strand (participates in β ladder)trans-96.1135.1172.7-72.196.6000110.1L238 F250 R256 V259 Y286 F288L238-W252 HydrophobicContact CD1-CE3 4.47Å; L238-W252 HydrophobicContact CD1-CH2 4.02Å; L238-W252 HydrophobicContact CD1-CZ3 3.48Å; L238-W252 VanDerWaalsContact CD1-CZ3 3.48Å; L238-W252 HydrophobicContact CD2-CH2 3.95Å; L238-W252 HydrophobicContact CD2-CZ3 4.29Å; F250-W252 AromaticContact CE2-CD1 3.99Å; F250-W252 AromaticContact CE2-NE1 3.92Å; W252-R256 HydrophobicContact CD2-CG 4.45Å; W252-R256 HydrophobicContact CE3-CB 3.81Å; W252-R256 HydrophobicContact CE3-CG 4.16Å; W252-R256 HydrophobicContact CZ3-CB 4.06Å; W252-R256 WeakPolarHBondContact CZ3-O 3.49Å; W252-V259 HydrophobicContact CD2-CB 4.02Å; W252-V259 HydrophobicContact CD2-CG2 3.95Å; W252-V259 HydrophobicContact CE3-CB 3.72Å; W252-V259 HydrophobicContact CE3-CG2 4.19Å; W252-V259 HydrophobicContact CG-CG2 4.44Å; W252-V259 HydrophobicContact CH2-CB 3.99Å; W252-V259 HydrophobicContact CH2-CG1 4.31Å; W252-V259 HydrophobicContact CH2-CG2 4.41Å; W252-V259 HydrophobicContact CZ2-CB 4.22Å; W252-V259 HydrophobicContact CZ2-CG2 4.14Å; W252-V259 HydrophobicContact CZ3-CB 3.75Å; W252-V259 HydrophobicContact CZ3-CG1 4.36Å; W252-V259 HydrophobicContact CZ3-CG2 4.45Å; W252-Y286 HydrophobicContact CH2-CD1 4.41Å; W252-Y286 AromaticContact CH2-CE1 3.97Å; W252-Y286 HydrophobicContact CH2-CE1 3.97Å; W252-Y286 HydrophobicContact CH2-CE2 4.18Å; W252-Y286 AromaticContact CH2-CZ 3.84Å; W252-Y286 AromaticContact CZ2-CD2 3.94Å; W252-Y286 HydrophobicContact CZ2-CD2 3.94Å; W252-Y286 HydrophobicContact CZ2-CE1 4.16Å; W252-Y286 AromaticContact CZ2-CE2 3.52Å; W252-Y286 HydrophobicContact CZ2-CE2 3.52Å; W252-Y286 HydrophobicContact CZ2-CG 4.41Å; W252-Y286 AromaticContact CZ2-CZ 3.64Å; W252-F288 AromaticContact CE2-CE2 3.85Å; W252-F288 AromaticContact CE2-CZ 3.84Å; W252-F288 AromaticContact CZ2-CE2 3.61Å; W252-F288 HydrophobicContact CZ2-CE2 3.61Å; W252-F288 AromaticContact CZ2-CZ 3.52Å; W252-F288 HydrophobicContact CZ2-CZ 3.52Å; W252-F288 AromaticContact NE1-CE2 3.53Å; W252-F288 AromaticContact NE1-CZ 3.78Å
253C97.6Very high98.1Very high22 Ų2242.9 Ų42.915%0.14921%0.206CC..EExtended strand (participates in β ladder)trans-138.7176.7171.463.60000111.6D255 R256 N257 V258C253-D255 PolarHBondContact O-N 2.87Å; C253-R256 PolarHBondContact O-N 3.08Å; C253-N257 PolarHBondContact O-N 2.86Å; C253-V258 PolarHBondContact N-O 2.78Å; C253-V258 PolarHBondContact O-N 3.49Å
254H98.5Very high98.1Very high10 Ų1042.4 Ų42.45%0.04620%0.203CC..G310 helixtrans52.751.6177.6-58.4-178.2000112.6P205 D206 F222 G223 Q224 S227 R256 N257 V258P205-H254 VanDerWaalsContact CB-CE1 3.43Å; P205-H254 WeakPolarHBondContact CB-CE1 3.34Å; D206-H254 PolarHBondContact O-NE2 3.37Å; D206-H254 VanDerWaalsContact O-NE2 3.17Å; F222-H254 AromaticContact CD2-CE1 3.84Å; F222-H254 AromaticContact CE2-CE1 3.82Å; F222-H254 PolarHBondContact O-CE1 3.06Å; G223-H254 VanDerWaalsContact C-CE1 3.41Å; G223-H254 PolarHBondContact O-CE1 3.07Å; Q224-H254 HydrophobicContact CB-CB 3.9Å; Q224-H254 HydrophobicContact CG-CB 3.91Å; S227-H254 WeakPolarHBondContact OG-CB 3.25Å; S227-H254 PolarHBondContact OG-ND1 2.78Å; H254-R256 PolarHBondContact O-N 2.93Å; H254-R256 VanDerWaalsContact O-N 3.15Å; H254-N257 HydrophobicContact CB-CB 4.26Å; H254-N257 VanDerWaalsContact O-CB 3.24Å; H254-N257 WeakPolarHBondContact O-CB 3.17Å; H254-N257 PolarHBondContact O-N 2.73Å; H254-N257 PolarHBondContact O-ND2 2.93Å; H254-V258 HydrophobicContact CB-CG2 4.21Å
255D97.2Very high98.1Very high126 Ų12640 Ų4067%0.67419%0.192SC*.G310 helixtrans49.241.5-176.2-72-23000114.3Q224 C253 N257Q224-D255 VanDerWaalsContact NE2-CG 3.31Å; Q224-D255 PolarHBondContact NE2-OD2 3.38Å; C253-D255 PolarHBondContact O-N 2.87Å; D255-N257 VanDerWaalsContact C-N 3.29Å; D255-N257 PolarHBondContact O-N 3.28Å
256R97.5Very high98Very high155 Ų15538 Ų3859%0.58518%0.182SC*.G310 helixtrans69.516.8-179.1-53.5178169.1-123.5-3.3115.2W252 C253 H254 V258 Y286W252-R256 HydrophobicContact CD2-CG 4.45Å; W252-R256 HydrophobicContact CE3-CB 3.81Å; W252-R256 HydrophobicContact CE3-CG 4.16Å; W252-R256 HydrophobicContact CZ3-CB 4.06Å; W252-R256 WeakPolarHBondContact CZ3-O 3.49Å; C253-R256 PolarHBondContact O-N 3.08Å; H254-R256 PolarHBondContact O-N 2.93Å; H254-R256 VanDerWaalsContact O-N 3.15Å; R256-V258 VanDerWaalsContact C-N 3.29Å; R256-Y286 PolarHBondContact NH1-OH 2.89Å
257N98.4Very high98Very high32 Ų3238.4 Ų38.417%0.17118%0.181CC..THydrogen-bonded Turntrans-74.9-22.1169.5-77.7-86.7000113E228 N231 V239 C253 H254 D255E228-N257 WeakPolarHBondContact CG-ND2 3.05Å; N231-N257 WeakPolarHBondContact ND2-CB 3.43Å; N231-N257 PolarHBondContact ND2-O 3.07Å; N231-N257 PolarHBondContact ND2-OD1 2.9Å; V239-N257 PolarHBondContact N-O 3.45Å; C253-N257 PolarHBondContact O-N 2.86Å; H254-N257 HydrophobicContact CB-CB 4.26Å; H254-N257 VanDerWaalsContact O-CB 3.24Å; H254-N257 WeakPolarHBondContact O-CB 3.17Å; H254-N257 PolarHBondContact O-N 2.73Å; H254-N257 PolarHBondContact O-ND2 2.93Å; D255-N257 VanDerWaalsContact C-N 3.29Å; D255-N257 PolarHBondContact O-N 3.28Å
258V98.8Very high97.7Very high0 Ų033.9 Ų33.90%016%0.16CC..EExtended strand (participates in β ladder)trans-131.4134-178.2-174.40000109.8P205 F222 V239 R241 C253 H254 R256P205-V258 HydrophobicContact CG-CG1 4.48Å; F222-V258 HydrophobicContact CE2-CG2 4.27Å; V239-V258 HydrophobicContact CB-CG1 4.5Å; V239-V258 HydrophobicContact CB-CG2 4.22Å; V239-V258 CarbonylContact O-C 3.49Å; V239-V258 VanDerWaalsContact O-CA 3.3Å; V239-V258 WeakPolarHBondContact O-CA 3.41Å; R241-V258 HydrophobicContact CG-CG1 3.92Å; C253-V258 PolarHBondContact N-O 2.78Å; C253-V258 PolarHBondContact O-N 3.49Å; H254-V258 HydrophobicContact CB-CG2 4.21Å; R256-V258 VanDerWaalsContact C-N 3.29Å
259V98.8Very high97.4Very high0 Ų030.6 Ų30.60%014%0.143CC..EExtended strand (participates in β ladder)trans-122.1128.3167.6680000110.4L238 V239 R241 N251 W252 I261 M278 F288L238-V259 HydrophobicContact CD1-CB 4.31Å; L238-V259 HydrophobicContact CD1-CG1 4Å; L238-V259 HydrophobicContact CD2-CG1 3.95Å; L238-V259 HydrophobicContact CG-CG1 4.27Å; V239-V259 PolarHBondContact O-N 3.09Å; R241-V259 PolarHBondContact N-O 3.21Å; N251-V259 WeakPolarHBondContact O-CA 3.31Å; W252-V259 HydrophobicContact CD2-CB 4.02Å; W252-V259 HydrophobicContact CD2-CG2 3.95Å; W252-V259 HydrophobicContact CE3-CB 3.72Å; W252-V259 HydrophobicContact CE3-CG2 4.19Å; W252-V259 HydrophobicContact CG-CG2 4.44Å; W252-V259 HydrophobicContact CH2-CB 3.99Å; W252-V259 HydrophobicContact CH2-CG1 4.31Å; W252-V259 HydrophobicContact CH2-CG2 4.41Å; W252-V259 HydrophobicContact CZ2-CB 4.22Å; W252-V259 HydrophobicContact CZ2-CG2 4.14Å; W252-V259 HydrophobicContact CZ3-CB 3.75Å; W252-V259 HydrophobicContact CZ3-CG1 4.36Å; W252-V259 HydrophobicContact CZ3-CG2 4.45Å; V259-I261 HydrophobicContact CG2-CG1 4.44Å; V259-M278 HydrophobicContact CG1-SD 4.19Å; V259-F288 HydrophobicContact CG2-CE1 3.94Å; V259-F288 HydrophobicContact CG2-CZ 3.8Å
260T98.8Very high97.1Very high2 Ų236.9 Ų36.91%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-93132.9169.9-600000109R241 Q244 V246 F250 N251R241-T260 VanDerWaalsContact CD-OG1 3.29Å; R241-T260 WeakPolarHBondContact CD-OG1 3.39Å; R241-T260 CarbonylContact O-C 3.49Å; R241-T260 VanDerWaalsContact O-CA 3.29Å; R241-T260 WeakPolarHBondContact O-CA 3.41Å; Q244-T260 HydrophobicContact CB-CG2 3.94Å; Q244-T260 WeakPolarHBondContact O-CG2 3.47Å; V246-T260 HydrophobicContact CG1-CG2 3.91Å; V246-T260 HydrophobicContact CG2-CG2 4.33Å; F250-T260 CarbonylContact C-O 3.52Å; F250-T260 WeakPolarHBondContact CA-O 3.34Å; F250-T260 WeakPolarHBondContact CB-O 3.22Å; N251-T260 PolarHBondContact N-O 3.35Å; N251-T260 PolarHBondContact O-N 3.34Å
261I98.8Very high96.8Very high0 Ų036.6 Ų36.60%017%0.17CC..EExtended strand (participates in β ladder)trans-124.8131.5175.7-56.6168000108.3V56 G58 M85 S240 R241 A242 V259 A276 M278 F288V56-I261 HydrophobicContact CB-CD1 4.4Å; V56-I261 HydrophobicContact CG1-CD1 4.21Å; G58-I261 WeakPolarHBondContact CA-O 3.45Å; M85-I261 HydrophobicContact CE-CB 3.89Å; M85-I261 HydrophobicContact CE-CD1 4.02Å; M85-I261 HydrophobicContact CE-CG1 4.36Å; S240-I261 WeakPolarHBondContact OG-CD1 3.33Å; R241-I261 PolarHBondContact O-N 3.19Å; A242-I261 WeakPolarHBondContact CA-O 3.42Å; V259-I261 HydrophobicContact CG2-CG1 4.44Å; I261-A276 WeakPolarHBondContact CG2-O 3.24Å; I261-M278 HydrophobicContact CD1-CB 3.41Å; I261-M278 VanDerWaalsContact CD1-CB 3.41Å; I261-M278 HydrophobicContact CD1-CE 4.01Å; I261-M278 HydrophobicContact CD1-CG 4.36Å; I261-M278 HydrophobicContact CD1-SD 4.16Å; I261-M278 HydrophobicContact CG1-CB 4.45Å; I261-F288 HydrophobicContact CG1-CE1 4.34Å
262F98.6Very high96.6Very high3 Ų335.3 Ų35.31%0.01318%0.177CC..BIsolated β-bridgetrans-128.6119.9177.6-159.1-94.2000108.5D59 Q244 L245 V246 G249 A264 Y267 A275 A276D59-F262 HydrophobicContact CB-CD2 3.8Å; D59-F262 HydrophobicContact CB-CE2 3.49Å; D59-F262 VanDerWaalsContact CB-CE2 3.49Å; D59-F262 HydrophobicContact CB-CG 4.46Å; D59-F262 HydrophobicContact CB-CZ 3.9Å; D59-F262 VanDerWaalsContact CG-CD2 3.47Å; D59-F262 WeakPolarHBondContact OD1-CD2 3.38Å; D59-F262 WeakPolarHBondContact OD1-CE2 3.15Å; Q244-F262 WeakPolarHBondContact O-CD2 3.46Å; L245-F262 HydrophobicContact CB-CE2 4.39Å; L245-F262 HydrophobicContact CB-CZ 4.42Å; L245-F262 HydrophobicContact CD1-CD1 3.79Å; L245-F262 HydrophobicContact CD1-CE1 3.55Å; L245-F262 HydrophobicContact CD1-CG 4.42Å; L245-F262 HydrophobicContact CD1-CZ 3.99Å; V246-F262 HydrophobicContact CG2-CB 3.8Å; G249-F262 PolarHBondContact O-N 3.26Å; F262-A264 HydrophobicContact CD1-CB 4.23Å; F262-A264 WeakPolarHBondContact CD1-O 3.35Å; F262-A264 HydrophobicContact CE1-CB 3.7Å; F262-A264 WeakPolarHBondContact CE1-O 3.35Å; F262-A264 HydrophobicContact CZ-CB 4.38Å; F262-Y267 HydrophobicContact CE1-CD1 4.43Å; F262-Y267 HydrophobicContact CE1-CD2 4.01Å; F262-Y267 AromaticContact CE1-CG 3.85Å; F262-Y267 HydrophobicContact CE1-CG 3.85Å; F262-Y267 HydrophobicContact CZ-CD1 4.09Å; F262-Y267 AromaticContact CZ-CD2 3.85Å; F262-Y267 HydrophobicContact CZ-CD2 3.85Å; F262-Y267 HydrophobicContact CZ-CE1 4.32Å; F262-Y267 HydrophobicContact CZ-CE2 4.13Å; F262-Y267 AromaticContact CZ-CG 3.83Å; F262-Y267 HydrophobicContact CZ-CG 3.83Å; F262-A275 CarbonylContact O-C 3.6Å; F262-A275 WeakPolarHBondContact O-CA 3.5Å; F262-A276 PolarHBondContact O-N 3.43Å
263S98.7Very high96.6Very high2 Ų233 Ų331%0.01417%0.168CC..  trans-106.511.2-169-60.60000113.8G58 D59 A275 A276G58-S263 PolarHBondContact N-OG 2.95Å; D59-S263 CarbonylContact O-C 3.51Å; D59-S263 WeakPolarHBondContact O-CA 3.32Å; D59-S263 WeakPolarHBondContact O-CB 3.07Å; D59-S263 PolarHBondContact O-N 3.37Å; S263-A275 VanDerWaalsContact C-CB 3.41Å; S263-A275 WeakPolarHBondContact O-CB 3.42Å; S263-A276 PolarHBondContact OG-O 3.44Å
264A98.1Very high96.6Very high0 Ų034.3 Ų34.30%017%0.172CC..  trans-109.5102.317800000111D59 F262 Y267 N273D59-A264 PolarHBondContact O-N 2.96Å; F262-A264 HydrophobicContact CD1-CB 4.23Å; F262-A264 WeakPolarHBondContact CD1-O 3.35Å; F262-A264 HydrophobicContact CE1-CB 3.7Å; F262-A264 WeakPolarHBondContact CE1-O 3.35Å; F262-A264 HydrophobicContact CZ-CB 4.38Å; A264-Y267 HydrophobicContact CB-CD2 4.29Å; A264-N273 PolarHBondContact O-ND2 3.26Å
265P97.4Very high96.6Very high0 Ų033.9 Ų33.90%017%0.17CC..THydrogen-bonded Turntrans-79.1150.2-177.134.4-35.7000110.5Q63 D66 Y267 A275 F291 P293Q63-P265 PolarHBondContact NE2-O 3.46Å; D66-P265 HydrophobicContact CB-CG 3.74Å; P265-Y267 PolarHBondContact O-N 2.87Å; P265-A275 HydrophobicContact CB-CB 3.7Å; P265-A275 HydrophobicContact CG-CB 4Å; P265-F291 HydrophobicContact CG-CD2 4.28Å; P265-F291 HydrophobicContact CG-CE2 3.92Å; P265-P293 HydrophobicContact CB-CB 4.38Å; P265-P293 HydrophobicContact CB-CG 3.88Å; P265-P293 HydrophobicContact CG-CB 4.25Å; P265-P293 HydrophobicContact CG-CG 4.28Å
266N96.3Very high96.6Very high30 Ų3027.9 Ų27.916%0.1614%0.138CC..THydrogen-bonded Turntrans41.655.2-172.2-17839.6000111.4Y269 R270 C271 G272 N273 P293N266-Y269 PolarHBondContact ND2-O 3.16Å; N266-Y269 CarbonylContact O-C 3.54Å; N266-Y269 WeakPolarHBondContact O-CA 3.3Å; N266-Y269 PolarHBondContact O-N 2.61Å; N266-R270 PolarHBondContact O-N 3.03Å; N266-R270 WeakPolarHBondContact OD1-CA 3.5Å; N266-R270 PolarHBondContact OD1-N 3.01Å; N266-R270 VanDerWaalsContact OD1-N 3.14Å; N266-C271 PolarHBondContact OD1-N 2.75Å; N266-G272 PolarHBondContact OD1-N 2.97Å; N266-N273 WeakPolarHBondContact CA-OD1 3.41Å; N266-N273 PolarHBondContact N-O 3.26Å; N266-N273 PolarHBondContact N-OD1 2.84Å; N266-P293 HydrophobicContact CB-CB 4.3Å; N266-P293 HydrophobicContact CB-CG 3.36Å
267Y95.3Very high96.7Very high27 Ų2720.5 Ų20.511%0.10611%0.11CC..G310 helixtrans-48.2143.2-172.7179.7-127.4000112.9H61 R91 L245 F262 A264 P265 Y269 R270 C271 N273H61-Y267 HydrophobicContact CB-CD2 4.48Å; H61-Y267 HydrophobicContact CB-CE2 3.83Å; H61-Y267 AromaticContact CD2-CE2 3.14Å; H61-Y267 WeakPolarHBondContact CD2-CE2 3.5Å; H61-Y267 AromaticContact CD2-CZ 3.61Å; H61-Y267 PolarHBondContact CD2-OH 2.91Å; H61-Y267 AromaticContact CG-CE2 3.62Å; H61-Y267 AromaticContact NE2-CE2 3.76Å; H61-Y267 AromaticContact NE2-CZ 3.7Å; H61-Y267 PolarHBondContact NE2-OH 3.25Å; R91-Y267 HydrophobicContact CB-CE2 3.93Å; R91-Y267 HydrophobicContact CG-CE2 4.39Å; R91-Y267 WeakPolarHBondContact CG-OH 3.38Å; L245-Y267 HydrophobicContact CD1-CD1 4.18Å; L245-Y267 HydrophobicContact CD1-CG 4.31Å; L245-Y267 HydrophobicContact CD2-CD1 4.27Å; F262-Y267 HydrophobicContact CE1-CD1 4.43Å; F262-Y267 HydrophobicContact CE1-CD2 4.01Å; F262-Y267 AromaticContact CE1-CG 3.85Å; F262-Y267 HydrophobicContact CE1-CG 3.85Å; F262-Y267 HydrophobicContact CZ-CD1 4.09Å; F262-Y267 AromaticContact CZ-CD2 3.85Å; F262-Y267 HydrophobicContact CZ-CD2 3.85Å; F262-Y267 HydrophobicContact CZ-CE1 4.32Å; F262-Y267 HydrophobicContact CZ-CE2 4.13Å; F262-Y267 AromaticContact CZ-CG 3.83Å; F262-Y267 HydrophobicContact CZ-CG 3.83Å; A264-Y267 HydrophobicContact CB-CD2 4.29Å; P265-Y267 PolarHBondContact O-N 2.87Å; Y267-Y269 PolarHBondContact O-N 3.33Å; Y267-R270 PolarHBondContact O-N 2.73Å; Y267-C271 WeakPolarHBondContact O-CB 3.39Å; Y267-C271 PolarHBondContact O-N 2.96Å; Y267-C271 PolarHBondContact O-SG 3.07Å; Y267-N273 WeakPolarHBondContact CB-OD1 3.44Å; Y267-N273 PolarHBondContact N-OD1 3.31Å
268C91.2Very high96.7Very high7 Ų719 Ų195%0.04710%0.102CC..G310 helixtrans51.822.6-170.9-69.30000113.4R270 F310C268-R270 HydrophobicContact CB-CG 4.15Å; C268-R270 PolarHBondContact O-N 2.96Å; C268-F310 HydrophobicContact CB-CD1 4.4Å
269Y91.8Very high96.7Very high44 Ų4421.8 Ų21.817%0.17312%0.115CC..G310 helixtrans62.717.8-175.5-45.8-65.6000115.5Q63 G92 Y93 N266 Y267 R296 F310Q63-Y269 HydrophobicContact CG-CE1 3.96Å; G92-Y269 VanDerWaalsContact CA-OH 3.3Å; G92-Y269 WeakPolarHBondContact CA-OH 3.29Å; Y93-Y269 HydrophobicContact CD1-CE2 4.39Å; Y93-Y269 HydrophobicContact CD2-CD2 4.01Å; Y93-Y269 HydrophobicContact CD2-CE1 4.32Å; Y93-Y269 AromaticContact CD2-CE2 3.23Å; Y93-Y269 HydrophobicContact CD2-CE2 3.23Å; Y93-Y269 AromaticContact CD2-CZ 3.43Å; Y93-Y269 VanDerWaalsContact CD2-CZ 3.43Å; Y93-Y269 WeakPolarHBondContact CD2-OH 3.32Å; Y93-Y269 HydrophobicContact CE1-CE2 4.31Å; Y93-Y269 AromaticContact CE2-CD2 3.4Å; Y93-Y269 HydrophobicContact CE2-CD2 3.4Å; Y93-Y269 HydrophobicContact CE2-CE1 4.44Å; Y93-Y269 AromaticContact CE2-CE2 3.12Å; Y93-Y269 HydrophobicContact CE2-CE2 3.12Å; Y93-Y269 HydrophobicContact CE2-CG 4.15Å; Y93-Y269 AromaticContact CE2-CZ 3.72Å; Y93-Y269 AromaticContact CG-CE2 3.89Å; Y93-Y269 HydrophobicContact CG-CE2 3.89Å; Y93-Y269 AromaticContact CZ-CD2 3.8Å; Y93-Y269 AromaticContact CZ-CE2 3.7Å; Y93-Y269 PolarHBondContact N-OH 3.42Å; N266-Y269 PolarHBondContact ND2-O 3.16Å; N266-Y269 CarbonylContact O-C 3.54Å; N266-Y269 WeakPolarHBondContact O-CA 3.3Å; N266-Y269 PolarHBondContact O-N 2.61Å; Y267-Y269 PolarHBondContact O-N 3.33Å; Y269-R296 PolarHBondContact O-NH2 3.14Å; Y269-F310 HydrophobicContact CD2-CD1 4.36Å; Y269-F310 AromaticContact CD2-CE1 3.88Å; Y269-F310 HydrophobicContact CD2-CE1 3.88Å; Y269-F310 HydrophobicContact CE2-CD1 4.49Å; Y269-F310 AromaticContact CE2-CE1 3.62Å; Y269-F310 HydrophobicContact CE2-CE1 3.62Å; Y269-F310 HydrophobicContact CE2-CZ 4.25Å
270R92.4Very high96.6Very high131 Ų13122 Ų2249%0.49412%0.116SC..THydrogen-bonded Turntrans-145.5-18-172.969.4-174.5-172.4177.44.4116.6N266 Y267 C268 G272 F310 L311N266-R270 PolarHBondContact O-N 3.03Å; N266-R270 WeakPolarHBondContact OD1-CA 3.5Å; N266-R270 PolarHBondContact OD1-N 3.01Å; N266-R270 VanDerWaalsContact OD1-N 3.14Å; Y267-R270 PolarHBondContact O-N 2.73Å; C268-R270 HydrophobicContact CB-CG 4.15Å; C268-R270 PolarHBondContact O-N 2.96Å; R270-G272 VanDerWaalsContact C-N 3.33Å; R270-G272 PolarHBondContact O-N 2.77Å; R270-F310 PolarHBondContact NH1-O 2.65Å; R270-F310 PolarHBondContact NH2-O 3.05Å; R270-L311 PolarHBondContact NH2-O 3.23Å
271C92.7Very high96.6Very high43 Ų4324.6 Ų24.629%0.29113%0.13SC..SBendtrans-74.2-20.9-172.1-70.90000114.1L245 N266 Y267 N273L245-C271 HydrophobicContact CD2-CB 4.04Å; N266-C271 PolarHBondContact OD1-N 2.75Å; Y267-C271 WeakPolarHBondContact O-CB 3.39Å; Y267-C271 PolarHBondContact O-N 2.96Å; Y267-C271 PolarHBondContact O-SG 3.07Å; C271-N273 PolarHBondContact O-N 2.85Å
272G94.2Very high96.4Very high56 Ų5630.3 Ų30.358%0.57716%0.161SC*.  trans68.810177.900000115.9N266 R270N266-G272 PolarHBondContact OD1-N 2.97Å; R270-G272 VanDerWaalsContact C-N 3.33Å; R270-G272 PolarHBondContact O-N 2.77Å
273N97.7Very high96.2Very high3 Ų335.9 Ų35.92%0.01619%0.191CC..  trans-72.4158.6173.766.1-68.9000112.2L245 M247 A264 N266 Y267 C271L245-N273 HydrophobicContact CD1-CB 4.01Å; L245-N273 VanDerWaalsContact CD1-CG 3.45Å; M247-N273 HydrophobicContact CE-CB 4.05Å; M247-N273 CarbonylContact O-C 3.53Å; M247-N273 VanDerWaalsContact O-CA 3.29Å; M247-N273 WeakPolarHBondContact O-CA 3.41Å; M247-N273 WeakPolarHBondContact O-CB 3.21Å; M247-N273 HydrophobicContact SD-CB 4.05Å; A264-N273 PolarHBondContact O-ND2 3.26Å; N266-N273 WeakPolarHBondContact CA-OD1 3.41Å; N266-N273 PolarHBondContact N-O 3.26Å; N266-N273 PolarHBondContact N-OD1 2.84Å; Y267-N273 WeakPolarHBondContact CB-OD1 3.44Å; Y267-N273 PolarHBondContact N-OD1 3.31Å; C271-N273 PolarHBondContact O-N 2.85Å
274Q97.5Very high95.9Very high50 Ų5038 Ų3823%0.23420%0.201CC..  trans-82.7164161.3-60.4-164.6-58.500110.7M247 G249 D292M247-Q274 PolarHBondContact O-N 3.2Å; G249-Q274 VanDerWaalsContact CA-O 3.23Å; G249-Q274 WeakPolarHBondContact CA-O 3.29Å; G249-Q274 PolarHBondContact N-O 2.98Å; Q274-D292 PolarHBondContact NE2-OD1 2.85Å
275A98.4Very high95.7Very high0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-106.2157.2167.300000110.6F262 S263 P265 Q290 F291F262-A275 CarbonylContact O-C 3.6Å; F262-A275 WeakPolarHBondContact O-CA 3.5Å; S263-A275 VanDerWaalsContact C-CB 3.41Å; S263-A275 WeakPolarHBondContact O-CB 3.42Å; P265-A275 HydrophobicContact CB-CB 3.7Å; P265-A275 HydrophobicContact CG-CB 4Å; A275-Q290 CarbonylContact O-C 3.58Å; A275-Q290 VanDerWaalsContact O-CA 3.23Å; A275-Q290 WeakPolarHBondContact O-CA 3.27Å; A275-F291 HydrophobicContact CB-CD1 3.94Å; A275-F291 HydrophobicContact CB-CD2 4.17Å; A275-F291 HydrophobicContact CB-CE1 3.46Å; A275-F291 VanDerWaalsContact CB-CE1 3.46Å; A275-F291 HydrophobicContact CB-CE2 3.72Å; A275-F291 HydrophobicContact CB-CG 4.27Å; A275-F291 HydrophobicContact CB-CZ 3.33Å; A275-F291 PolarHBondContact N-O 3.14Å; A275-F291 PolarHBondContact O-N 3.45Å
276A98.5Very high95.6Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-137.4162.4172.600000113.1G249 F250 I261 F262 S263 L289 Q290G249-A276 VanDerWaalsContact C-CB 3.47Å; G249-A276 WeakPolarHBondContact O-CB 3.25Å; F250-A276 HydrophobicContact CB-CB 4.12Å; F250-A276 HydrophobicContact CD1-CB 3.89Å; F250-A276 HydrophobicContact CG-CB 4.47Å; I261-A276 WeakPolarHBondContact CG2-O 3.24Å; F262-A276 PolarHBondContact O-N 3.43Å; S263-A276 PolarHBondContact OG-O 3.44Å; A276-L289 CarbonylContact C-O 3.48Å; A276-L289 VanDerWaalsContact CA-O 3.23Å; A276-L289 WeakPolarHBondContact CA-O 3.41Å; A276-Q290 HydrophobicContact CB-CG 4.2Å
277L98.2Very high95.6Very high0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans-128.3148.8168.6-47170.9000108.4T55 C57 L70 F288 L289 F291T55-L277 HydrophobicContact CG2-CB 3.89Å; T55-L277 HydrophobicContact CG2-CD1 4.18Å; C57-L277 HydrophobicContact CB-CD2 4.2Å; L70-L277 HydrophobicContact CD1-CD2 3.39Å; L70-L277 HydrophobicContact CD2-CD1 4.23Å; L70-L277 HydrophobicContact CD2-CD2 4.17Å; L70-L277 HydrophobicContact CG-CD1 3.76Å; L70-L277 HydrophobicContact CG-CD2 3.4Å; L70-L277 VanDerWaalsContact CG-CD2 3.4Å; L70-L277 HydrophobicContact CG-CG 4.15Å; L277-F288 VanDerWaalsContact O-CA 3.3Å; L277-F288 WeakPolarHBondContact O-CA 3.43Å; L277-L289 PolarHBondContact N-O 3.24Å; L277-L289 PolarHBondContact O-N 3.11Å; L277-F291 HydrophobicContact CD2-CE1 4.19Å; L277-F291 HydrophobicContact CG-CE1 4.07Å
278M98.6Very high95.8Very high0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-109.4110.8171.7-178.2179.867.600109.8V56 L238 S240 V259 I261 L280 N287 F288V56-M278 HydrophobicContact CB-CB 4.32Å; V56-M278 HydrophobicContact CB-CE 3.96Å; V56-M278 HydrophobicContact CG1-CE 4.36Å; V56-M278 HydrophobicContact CG2-CE 3.78Å; V56-M278 PolarHBondContact N-O 2.85Å; V56-M278 PolarHBondContact O-N 2.76Å; L238-M278 HydrophobicContact CD2-SD 4.45Å; S240-M278 WeakPolarHBondContact OG-CE 3.45Å; V259-M278 HydrophobicContact CG1-SD 4.19Å; I261-M278 HydrophobicContact CD1-CB 3.41Å; I261-M278 VanDerWaalsContact CD1-CB 3.41Å; I261-M278 HydrophobicContact CD1-CE 4.01Å; I261-M278 HydrophobicContact CD1-CG 4.36Å; I261-M278 HydrophobicContact CD1-SD 4.16Å; I261-M278 HydrophobicContact CG1-CB 4.45Å; M278-L280 HydrophobicContact CE-CD1 4.08Å; M278-L280 HydrophobicContact CE-CD2 4.28Å; M278-L280 HydrophobicContact CE-CG 4.23Å; M278-L280 HydrophobicContact CG-CD2 4.46Å; M278-L280 HydrophobicContact SD-CD2 4.39Å; M278-N287 CarbonylContact C-O 3.5Å; M278-N287 WeakPolarHBondContact CA-O 3.49Å; M278-F288 HydrophobicContact CB-CD1 4.06Å; M278-F288 HydrophobicContact CB-CE1 3.76Å; M278-F288 HydrophobicContact CB-CZ 4.48Å; M278-F288 HydrophobicContact CG-CD1 4.38Å; M278-F288 HydrophobicContact CG-CE1 3.84Å; M278-F288 HydrophobicContact CG-CZ 4.06Å; M278-F288 HydrophobicContact SD-CE1 4.05Å; M278-F288 HydrophobicContact SD-CZ 3.95Å
279E98.2Very high96.1Very high60 Ų6053.5 Ų53.528%0.2827%0.271SS..EExtended strand (participates in β ladder)trans-83.2130.4170.7-61.6-177.5119.900109.8T55 Y286 N287 L289T55-E279 HydrophobicContact CG2-CG 4.43Å; E279-Y286 CarbonylContact O-C 3.44Å; E279-Y286 WeakPolarHBondContact O-CA 3.46Å; E279-N287 HydrophobicContact CB-CB 4.39Å; E279-N287 PolarHBondContact N-O 3.49Å; E279-N287 PolarHBondContact O-N 2.96Å; E279-N287 PolarHBondContact OE2-ND2 3.39Å; E279-L289 VanDerWaalsContact CD-CD1 3.41Å; E279-L289 HydrophobicContact CG-CD1 3.98Å; E279-L289 HydrophobicContact CG-CG 4.26Å; E279-L289 WeakPolarHBondContact OE2-CD1 3.38Å
280L98.3Very high96.3Very high3 Ų355.3 Ų55.32%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-111.5120170.8-64.8170.1000108.7P53 V54 V56 V161 I165 M278P53-L280 CarbonylContact C-O 3.53Å; P53-L280 WeakPolarHBondContact CA-O 3.24Å; V54-L280 HydrophobicContact CG1-CB 4.17Å; V54-L280 HydrophobicContact CG1-CD1 4.05Å; V54-L280 PolarHBondContact N-O 3.17Å; V54-L280 PolarHBondContact O-N 2.97Å; V56-L280 HydrophobicContact CG2-CD1 3.96Å; V161-L280 HydrophobicContact CB-CD1 4.3Å; V161-L280 HydrophobicContact CG1-CD1 3.95Å; V161-L280 HydrophobicContact CG2-CD1 4.25Å; I165-L280 HydrophobicContact CD1-CD1 3.69Å; I165-L280 HydrophobicContact CD1-CD2 3.55Å; I165-L280 HydrophobicContact CD1-CG 4.28Å; M278-L280 HydrophobicContact CE-CD1 4.08Å; M278-L280 HydrophobicContact CE-CD2 4.28Å; M278-L280 HydrophobicContact CE-CG 4.23Å; M278-L280 HydrophobicContact CG-CD2 4.46Å; M278-L280 HydrophobicContact SD-CD2 4.39Å
281D97Very high96.6Very high58 Ų5849.5 Ų49.531%0.3126%0.259SS..  trans-80.2177.417581.5-3.4000112.5S52 N283 L284 K285S52-D281 WeakPolarHBondContact CB-O 3.16Å; S52-D281 PolarHBondContact OG-O 3.13Å; D281-N283 PolarHBondContact O-N 3.39Å; D281-N283 VanDerWaalsContact OD1-C 3.28Å; D281-N283 VanDerWaalsContact OD1-CA 3.3Å; D281-N283 WeakPolarHBondContact OD1-CA 3.07Å; D281-N283 WeakPolarHBondContact OD1-CB 3.32Å; D281-N283 PolarHBondContact OD1-N 3.46Å; D281-L284 PolarHBondContact O-N 3.48Å; D281-L284 PolarHBondContact OD1-N 3.01Å; D281-L284 VanDerWaalsContact OD1-N 3.14Å; D281-K285 PolarHBondContact N-O 3.45Å; D281-K285 VanDerWaalsContact N-O 3.12Å; D281-K285 WeakPolarHBondContact OD1-CB 3.08Å; D281-K285 PolarHBondContact OD1-N 2.85Å
282D94.6Very high96.7Very high120 Ų12052.1 Ų52.164%0.64227%0.27SS*.THydrogen-bonded Turntrans-58.1-14.7178.9-61.7-47.8000114.4P53P53-D282 VanDerWaalsContact CD-OD1 3.27Å; P53-D282 WeakPolarHBondContact CD-OD1 3.35Å
283N94.4Very high96.7Very high120 Ų12052.1 Ų52.164%0.64226%0.26SS*.THydrogen-bonded Turntrans-108.614.4177.9-53-75.8000112.2D281 K285D281-N283 PolarHBondContact O-N 3.39Å; D281-N283 VanDerWaalsContact OD1-C 3.28Å; D281-N283 VanDerWaalsContact OD1-CA 3.3Å; D281-N283 WeakPolarHBondContact OD1-CA 3.07Å; D281-N283 WeakPolarHBondContact OD1-CB 3.32Å; D281-N283 PolarHBondContact OD1-N 3.46Å; N283-K285 HydrophobicContact CB-CG 4.43Å; N283-K285 PolarHBondContact O-N 3.27Å
284L92.6Very high96.4Very high45 Ų4552.8 Ų52.824%0.23627%0.266CS..  trans56.923.2-174.3-62.1176.3000114.5V161 D162 I165 D281 Y286V161-L284 HydrophobicContact CG1-CD2 4.08Å; D162-L284 HydrophobicContact CB-CD1 4.09Å; D162-L284 HydrophobicContact CB-CD2 4.07Å; D162-L284 HydrophobicContact CB-CG 4.4Å; D162-L284 WeakPolarHBondContact OD2-CD2 3.46Å; I165-L284 HydrophobicContact CD1-CD2 4.16Å; D281-L284 PolarHBondContact O-N 3.48Å; D281-L284 PolarHBondContact OD1-N 3.01Å; D281-L284 VanDerWaalsContact OD1-N 3.14Å; L284-Y286 PolarHBondContact O-N 2.96Å
285K94.4Very high95.7Very high141 Ų14156 Ų5661%0.61329%0.291SS*.  trans-72.8127167.9-63.9179.3-179.1173.20108D281 N283D281-K285 PolarHBondContact N-O 3.45Å; D281-K285 VanDerWaalsContact N-O 3.12Å; D281-K285 WeakPolarHBondContact OD1-CB 3.08Å; D281-K285 PolarHBondContact OD1-N 2.85Å; N283-K285 HydrophobicContact CB-CG 4.43Å; N283-K285 PolarHBondContact O-N 3.27Å
286Y95Very high94.4Very high94 Ų9462.7 Ų62.737%0.36932%0.316SS..EExtended strand (participates in β ladder)trans-90.1140.7176.453.1-98.7000111.9W252 R256 E279 L284 F288W252-Y286 HydrophobicContact CH2-CD1 4.41Å; W252-Y286 AromaticContact CH2-CE1 3.97Å; W252-Y286 HydrophobicContact CH2-CE1 3.97Å; W252-Y286 HydrophobicContact CH2-CE2 4.18Å; W252-Y286 AromaticContact CH2-CZ 3.84Å; W252-Y286 AromaticContact CZ2-CD2 3.94Å; W252-Y286 HydrophobicContact CZ2-CD2 3.94Å; W252-Y286 HydrophobicContact CZ2-CE1 4.16Å; W252-Y286 AromaticContact CZ2-CE2 3.52Å; W252-Y286 HydrophobicContact CZ2-CE2 3.52Å; W252-Y286 HydrophobicContact CZ2-CG 4.41Å; W252-Y286 AromaticContact CZ2-CZ 3.64Å; R256-Y286 PolarHBondContact NH1-OH 2.89Å; E279-Y286 CarbonylContact O-C 3.44Å; E279-Y286 WeakPolarHBondContact O-CA 3.46Å; L284-Y286 PolarHBondContact O-N 2.96Å; Y286-F288 HydrophobicContact CD2-CD2 4.28Å; Y286-F288 AromaticContact CD2-CE2 3.54Å; Y286-F288 HydrophobicContact CD2-CE2 3.54Å; Y286-F288 HydrophobicContact CD2-CZ 4.25Å; Y286-F288 HydrophobicContact CE2-CE2 4.01Å; Y286-F288 HydrophobicContact CG-CE2 4.41Å
287N97.1Very high92.7Very high82 Ų8273.9 Ų73.944%0.43936%0.359SS..EExtended strand (participates in β ladder)trans-128.1136.6167.3177.151.2000109M278 E279 L289M278-N287 CarbonylContact C-O 3.5Å; M278-N287 WeakPolarHBondContact CA-O 3.49Å; E279-N287 HydrophobicContact CB-CB 4.39Å; E279-N287 PolarHBondContact N-O 3.49Å; E279-N287 PolarHBondContact O-N 2.96Å; E279-N287 PolarHBondContact OE2-ND2 3.39Å; N287-L289 VanDerWaalsContact ND2-CD2 3.35Å; N287-L289 WeakPolarHBondContact ND2-CD2 3.39Å
288F98.1Very high90.6Very high34 Ų3476.4 Ų76.415%0.14939%0.385CS..EExtended strand (participates in β ladder)trans-100.8124.5177.1-65.9-85.1000110.1F250 W252 V259 I261 L277 M278 Y286F250-F288 HydrophobicContact CB-CD1 3.9Å; F250-F288 HydrophobicContact CB-CE1 4.04Å; F250-F288 HydrophobicContact CD1-CB 4.01Å; F250-F288 HydrophobicContact CD1-CD1 4Å; F250-F288 HydrophobicContact CD1-CG 4.04Å; F250-F288 AromaticContact CD2-CD1 3.8Å; F250-F288 HydrophobicContact CD2-CD1 3.8Å; F250-F288 HydrophobicContact CD2-CD2 4.08Å; F250-F288 AromaticContact CD2-CE1 3.89Å; F250-F288 HydrophobicContact CD2-CE1 3.89Å; F250-F288 HydrophobicContact CD2-CE2 4.18Å; F250-F288 AromaticContact CD2-CG 3.91Å; F250-F288 HydrophobicContact CD2-CG 3.91Å; F250-F288 HydrophobicContact CD2-CZ 4.11Å; F250-F288 HydrophobicContact CE1-CB 3.83Å; F250-F288 HydrophobicContact CE1-CG 4.09Å; F250-F288 HydrophobicContact CE2-CB 4.5Å; F250-F288 HydrophobicContact CE2-CD1 4.33Å; F250-F288 AromaticContact CE2-CD2 3.86Å; F250-F288 HydrophobicContact CE2-CD2 3.86Å; F250-F288 HydrophobicContact CE2-CE2 4.17Å; F250-F288 AromaticContact CE2-CG 3.96Å; F250-F288 HydrophobicContact CE2-CG 3.96Å; F250-F288 HydrophobicContact CG-CB 4.43Å; F250-F288 AromaticContact CG-CD1 3.61Å; F250-F288 HydrophobicContact CG-CD1 3.61Å; F250-F288 HydrophobicContact CG-CE1 4Å; F250-F288 AromaticContact CG-CG 3.95Å; F250-F288 HydrophobicContact CG-CG 3.95Å; F250-F288 HydrophobicContact CZ-CB 4.09Å; F250-F288 HydrophobicContact CZ-CD2 4.17Å; F250-F288 HydrophobicContact CZ-CG 4.05Å; W252-F288 AromaticContact CE2-CE2 3.85Å; W252-F288 AromaticContact CE2-CZ 3.84Å; W252-F288 AromaticContact CZ2-CE2 3.61Å; W252-F288 HydrophobicContact CZ2-CE2 3.61Å; W252-F288 AromaticContact CZ2-CZ 3.52Å; W252-F288 HydrophobicContact CZ2-CZ 3.52Å; W252-F288 AromaticContact NE1-CE2 3.53Å; W252-F288 AromaticContact NE1-CZ 3.78Å; V259-F288 HydrophobicContact CG2-CE1 3.94Å; V259-F288 HydrophobicContact CG2-CZ 3.8Å; I261-F288 HydrophobicContact CG1-CE1 4.34Å; L277-F288 VanDerWaalsContact O-CA 3.3Å; L277-F288 WeakPolarHBondContact O-CA 3.43Å; M278-F288 HydrophobicContact CB-CD1 4.06Å; M278-F288 HydrophobicContact CB-CE1 3.76Å; M278-F288 HydrophobicContact CB-CZ 4.48Å; M278-F288 HydrophobicContact CG-CD1 4.38Å; M278-F288 HydrophobicContact CG-CE1 3.84Å; M278-F288 HydrophobicContact CG-CZ 4.06Å; M278-F288 HydrophobicContact SD-CE1 4.05Å; M278-F288 HydrophobicContact SD-CZ 3.95Å; Y286-F288 HydrophobicContact CD2-CD2 4.28Å; Y286-F288 AromaticContact CD2-CE2 3.54Å; Y286-F288 HydrophobicContact CD2-CE2 3.54Å; Y286-F288 HydrophobicContact CD2-CZ 4.25Å; Y286-F288 HydrophobicContact CE2-CE2 4.01Å; Y286-F288 HydrophobicContact CG-CE2 4.41Å
289L97.6Very high88.5Confident39 Ų3983.1 Ų83.120%0.20442%0.416CS..EExtended strand (participates in β ladder)trans-103.5108.9172.8-61.6-177.5000108.8I73 A276 L277 E279 N287I73-L289 HydrophobicContact CG2-CB 3.96Å; I73-L289 HydrophobicContact CG2-CD1 3.8Å; I73-L289 HydrophobicContact CG2-CG 4.46Å; A276-L289 CarbonylContact C-O 3.48Å; A276-L289 VanDerWaalsContact CA-O 3.23Å; A276-L289 WeakPolarHBondContact CA-O 3.41Å; L277-L289 PolarHBondContact N-O 3.24Å; L277-L289 PolarHBondContact O-N 3.11Å; E279-L289 VanDerWaalsContact CD-CD1 3.41Å; E279-L289 HydrophobicContact CG-CD1 3.98Å; E279-L289 HydrophobicContact CG-CG 4.26Å; E279-L289 WeakPolarHBondContact OE2-CD1 3.38Å; N287-L289 VanDerWaalsContact ND2-CD2 3.35Å; N287-L289 WeakPolarHBondContact ND2-CD2 3.39Å
290Q97.8Very high86.3Confident83 Ų8382.3 Ų82.339%0.38842%0.416SS..EExtended strand (participates in β ladder)trans-91.3147.3176.2-65.2173.5-85.700111.2E248 F250 A275 A276E248-Q290 PolarHBondContact O-NE2 3.3Å; F250-Q290 HydrophobicContact CD1-CG 4.16Å; F250-Q290 HydrophobicContact CE1-CG 3.92Å; A275-Q290 CarbonylContact O-C 3.58Å; A275-Q290 VanDerWaalsContact O-CA 3.23Å; A275-Q290 WeakPolarHBondContact O-CA 3.27Å; A276-Q290 HydrophobicContact CB-CG 4.2Å
291F97.5Very high83.7Confident9 Ų991.6 Ų91.64%0.03946%0.459CS..EExtended strand (participates in β ladder)trans-150.6150.3177.166.2-82.1000113.7E69 L70 I73 P265 A275 L277E69-F291 HydrophobicContact CB-CD2 4.46Å; E69-F291 HydrophobicContact CG-CD2 4Å; L70-F291 HydrophobicContact CB-CE1 4.41Å; L70-F291 HydrophobicContact CB-CE2 4.5Å; L70-F291 HydrophobicContact CB-CZ 3.91Å; L70-F291 HydrophobicContact CG-CZ 4.49Å; I73-F291 HydrophobicContact CD1-CB 3.24Å; I73-F291 HydrophobicContact CD1-CD1 4.26Å; I73-F291 HydrophobicContact CD1-CD2 4.32Å; I73-F291 HydrophobicContact CD1-CG 3.73Å; P265-F291 HydrophobicContact CG-CD2 4.28Å; P265-F291 HydrophobicContact CG-CE2 3.92Å; A275-F291 HydrophobicContact CB-CD1 3.94Å; A275-F291 HydrophobicContact CB-CD2 4.17Å; A275-F291 HydrophobicContact CB-CE1 3.46Å; A275-F291 VanDerWaalsContact CB-CE1 3.46Å; A275-F291 HydrophobicContact CB-CE2 3.72Å; A275-F291 HydrophobicContact CB-CG 4.27Å; A275-F291 HydrophobicContact CB-CZ 3.33Å; A275-F291 PolarHBondContact N-O 3.14Å; A275-F291 PolarHBondContact O-N 3.45Å; L277-F291 HydrophobicContact CD2-CE1 4.19Å; L277-F291 HydrophobicContact CG-CE1 4.07Å
292D96.1Very high81.3Confident98 Ų9892 Ų9252%0.52446%0.464SS..PPolyproline II helixtrans-87.7165176.7-68.1-42.9000111.2Q274Q274-D292 PolarHBondContact NE2-OD1 2.85Å
293P93.7Very high79Confident56 Ų5692 Ų9236%0.36447%0.473SS..PPolyproline II helixtrans-56.7141.9178.1-20.830.4000112.9D66 P265 N266D66-P293 WeakPolarHBondContact OD1-CA 3.37Å; P265-P293 HydrophobicContact CB-CB 4.38Å; P265-P293 HydrophobicContact CB-CG 3.88Å; P265-P293 HydrophobicContact CG-CB 4.25Å; P265-P293 HydrophobicContact CG-CG 4.28Å; N266-P293 HydrophobicContact CB-CB 4.3Å; N266-P293 HydrophobicContact CB-CG 3.36Å
294A91.2Very high76.4Confident17 Ų1796.2 Ų96.214%0.1448%0.48CS..PPolyproline II helixtrans-59145.1174.200000110.9H65 D66 E69 R296H65-A294 HydrophobicContact CB-CB 4.13Å; H65-A294 WeakPolarHBondContact O-CB 3.45Å; D66-A294 WeakPolarHBondContact OD1-CB 3.34Å; D66-A294 PolarHBondContact OD1-N 2.96Å; E69-A294 HydrophobicContact CB-CB 4.32Å; A294-R296 PolarHBondContact O-N 3.39Å; A294-R296 VanDerWaalsContact O-N 3.16Å
295P83.1Confident74.1Confident117 Ų117105.4 Ų105.476%0.7651%0.511SS*.PPolyproline II helixtrans-56.2122.7176.3-24.833.4000111.7R297P295-R297 PolarHBondContact O-N 3.14Å
296R70.1Confident71.7Confident141 Ų141102.7 Ų102.753%0.53251%0.506SS..PPolyproline II helixtrans-64.1120.7-179.2-66.4-172.3-178.1-171.62.1110.9Y269 A294 G298 E299Y269-R296 PolarHBondContact O-NH2 3.14Å; A294-R296 PolarHBondContact O-N 3.39Å; A294-R296 VanDerWaalsContact O-N 3.16Å; R296-G298 VanDerWaalsContact C-N 3.3Å; R296-G298 PolarHBondContact O-N 3.22Å; R296-E299 IonicContact NH1-OE1 3.44Å; R296-E299 PolarHBondContact NH1-OE1 3.24Å
297R62.5Low69.4Low234 Ų23499.9 Ų99.988%0.88350%0.5SS*.  trans-88.766.2166.4-69.4-170178.3-171.32.2110.4P295P295-R297 PolarHBondContact O-N 3.14Å
298G55.1Low66.9Low53 Ų53102.5 Ų102.555%0.54651%0.514SS..  trans69.4147.5-174.600000112.7R296R296-G298 VanDerWaalsContact C-N 3.3Å; R296-G298 PolarHBondContact O-N 3.22Å
299E53.6Low64.7Low141 Ų141102.8 Ų102.866%0.65951%0.514SS*.  trans-66.9138165.1-67.4-178168.300107.6R296 H301R296-E299 IonicContact NH1-OE1 3.44Å; R296-E299 PolarHBondContact NH1-OE1 3.24Å; E299-H301 PolarHBondContact O-N 2.78Å
300P52.6Low62.3Low43 Ų43101.2 Ų101.228%0.27951%0.506SS..  trans-51.8139.3169.418.7-27000107.9Y93 V302Y93-P300 HydrophobicContact CD1-CG 4.34Å; Y93-P300 HydrophobicContact CD2-CG 3.76Å; Y93-P300 HydrophobicContact CE2-CG 4.23Å; Y93-P300 HydrophobicContact CG-CG 3.83Å; P300-V302 HydrophobicContact CB-CG2 4.27Å; P300-V302 HydrophobicContact CG-CG2 4.03Å; P300-V302 WeakPolarHBondContact O-CG2 3.41Å; P300-V302 PolarHBondContact O-N 3.21Å
301H44Very low59.7Low199 Ų199104 Ų10492%0.92152%0.522SS*.  trans-63.875.4169.8-96.6-37.4000108.6E299 S303E299-H301 PolarHBondContact O-N 2.78Å; H301-S303 VanDerWaalsContact C-N 3.26Å; H301-S303 PolarHBondContact O-N 3.07Å
302V47.1Very low57.8Low67 Ų67108.7 Ų108.741%0.40655%0.546SS..  trans-75.193.5165.7-1580000103.8Y93 P300 R304Y93-V302 HydrophobicContact CE1-CG2 4.25Å; P300-V302 HydrophobicContact CB-CG2 4.27Å; P300-V302 HydrophobicContact CG-CG2 4.03Å; P300-V302 WeakPolarHBondContact O-CG2 3.41Å; P300-V302 PolarHBondContact O-N 3.21Å; V302-R304 WeakPolarHBondContact CG1-O 3.39Å; V302-R304 PolarHBondContact O-N 2.61Å
303S44.7Very low55.8Low120 Ų120109.3 Ų109.384%0.83955%0.548SS*.SBendtrans-66.67.2178.268.10000113H301H301-S303 VanDerWaalsContact C-N 3.26Å; H301-S303 PolarHBondContact O-N 3.07Å
304R41.5Very low53.7Low208 Ų208112.2 Ų112.279%0.78556%0.558SS**SBendtrans-134.4144.8173.3-74.8-175.5168.3175.5-3.7108.1V302V302-R304 WeakPolarHBondContact CG1-O 3.39Å; V302-R304 PolarHBondContact O-N 2.61Å
305R42.6Very low51.5Low238 Ų238117.8 Ų117.890%0.89858%0.582SS**  trans-36.3138.8177.8-73178171.6178.6-4.2111.3P307R305-P307 WeakPolarHBondContact O-CD 3.02Å; R305-P307 VanDerWaalsContact O-N 3.07Å
306T44.2Very low49.5Very low83 Ų83117.9 Ų117.951%0.50957%0.571SS.*  trans-37.8117.6166.8-49.30000108.9F310T306-F310 HydrophobicContact CG2-CB 4.32Å; T306-F310 HydrophobicContact CG2-CD2 3.84Å; T306-F310 HydrophobicContact CG2-CE2 4.45Å; T306-F310 HydrophobicContact CG2-CG 4.18Å
307P47.5Very low48.1Very low36 Ų36116.3 Ų116.323%0.23457%0.574CS.*  trans-57.3143.2-176.3-27.133.7000112R305 Y309 F310R305-P307 WeakPolarHBondContact O-CD 3.02Å; R305-P307 VanDerWaalsContact O-N 3.07Å; P307-Y309 HydrophobicContact CB-CD1 3.52Å; P307-Y309 HydrophobicContact CB-CD2 4.43Å; P307-Y309 HydrophobicContact CB-CE1 3.09Å; P307-Y309 HydrophobicContact CB-CE2 4.08Å; P307-Y309 HydrophobicContact CB-CG 4.18Å; P307-Y309 VanDerWaalsContact CB-CZ 3.4Å; P307-Y309 HydrophobicContact CG-CE1 3.8Å; P307-Y309 PolarHBondContact O-N 3.16Å; P307-F310 HydrophobicContact CB-CD2 4.25Å; P307-F310 HydrophobicContact CB-CE2 4.41Å; P307-F310 HydrophobicContact CG-CD2 4.43Å; P307-F310 HydrophobicContact CG-CE2 4.17Å; P307-F310 WeakPolarHBondContact O-CD2 3.49Å; P307-F310 PolarHBondContact O-N 3.01Å
308D44.5Very low47.1Very low136 Ų136107.9 Ų107.973%0.72755%0.552SS**G310 helixtrans-61.5-20.5-174.6-68.1-33.7000113F310 L311D308-F310 PolarHBondContact O-N 3.31Å; D308-L311 HydrophobicContact CB-CD1 4.5Å; D308-L311 WeakPolarHBondContact O-CB 3.45Å; D308-L311 WeakPolarHBondContact O-CD1 3.45Å; D308-L311 VanDerWaalsContact O-CG 3.31Å; D308-L311 WeakPolarHBondContact O-CG 3.44Å; D308-L311 PolarHBondContact O-N 2.92Å
309Y52.8Low46.5Very low41 Ų41112.2 Ų112.216%0.16155%0.552CS.*G310 helixtrans-74.6-5.3-179.662.1-110.3000115.1V128 Y129 G130 P307 L311V128-Y309 WeakPolarHBondContact O-CB 3.14Å; Y129-Y309 WeakPolarHBondContact O-CD2 3.42Å; Y129-Y309 VanDerWaalsContact O-CE2 3.24Å; Y129-Y309 WeakPolarHBondContact O-CE2 3.44Å; G130-Y309 VanDerWaalsContact CA-CE2 3.42Å; P307-Y309 HydrophobicContact CB-CD1 3.52Å; P307-Y309 HydrophobicContact CB-CD2 4.43Å; P307-Y309 HydrophobicContact CB-CE1 3.09Å; P307-Y309 HydrophobicContact CB-CE2 4.08Å; P307-Y309 HydrophobicContact CB-CG 4.18Å; P307-Y309 VanDerWaalsContact CB-CZ 3.4Å; P307-Y309 HydrophobicContact CG-CE1 3.8Å; P307-Y309 PolarHBondContact O-N 3.16Å; Y309-L311 PolarHBondContact O-N 3.24Å
310F47.1Very low45.9Very low6 Ų6109.8 Ų109.83%0.02654%0.543CS..G310 helixtrans-70.7-7.3164.3-76.2-86.8000112R91 Y93 C268 Y269 R270 T306 P307 D308R91-F310 VanDerWaalsContact O-CD1 3.3Å; R91-F310 WeakPolarHBondContact O-CD1 3.48Å; R91-F310 WeakPolarHBondContact O-CE1 3.34Å; Y93-F310 HydrophobicContact CD1-CE2 4.24Å; Y93-F310 AromaticContact CD1-CZ 3.64Å; Y93-F310 HydrophobicContact CD1-CZ 3.64Å; Y93-F310 HydrophobicContact CE1-CE1 4.2Å; Y93-F310 AromaticContact CE1-CE2 3.76Å; Y93-F310 HydrophobicContact CE1-CE2 3.76Å; Y93-F310 AromaticContact CE1-CZ 3.4Å; Y93-F310 HydrophobicContact CE1-CZ 3.4Å; Y93-F310 VanDerWaalsContact CE1-CZ 3.4Å; Y93-F310 HydrophobicContact CG-CZ 4.45Å; C268-F310 HydrophobicContact CB-CD1 4.4Å; Y269-F310 HydrophobicContact CD2-CD1 4.36Å; Y269-F310 AromaticContact CD2-CE1 3.88Å; Y269-F310 HydrophobicContact CD2-CE1 3.88Å; Y269-F310 HydrophobicContact CE2-CD1 4.49Å; Y269-F310 AromaticContact CE2-CE1 3.62Å; Y269-F310 HydrophobicContact CE2-CE1 3.62Å; Y269-F310 HydrophobicContact CE2-CZ 4.25Å; R270-F310 PolarHBondContact NH1-O 2.65Å; R270-F310 PolarHBondContact NH2-O 3.05Å; T306-F310 HydrophobicContact CG2-CB 4.32Å; T306-F310 HydrophobicContact CG2-CD2 3.84Å; T306-F310 HydrophobicContact CG2-CE2 4.45Å; T306-F310 HydrophobicContact CG2-CG 4.18Å; P307-F310 HydrophobicContact CB-CD2 4.25Å; P307-F310 HydrophobicContact CB-CE2 4.41Å; P307-F310 HydrophobicContact CG-CD2 4.43Å; P307-F310 HydrophobicContact CG-CE2 4.17Å; P307-F310 WeakPolarHBondContact O-CD2 3.49Å; P307-F310 PolarHBondContact O-N 3.01Å; D308-F310 PolarHBondContact O-N 3.31Å
311L42.1Very low45.3Very low140 Ų140115.8 Ų115.873%0.73357%0.567SS**  trans-74.20175-68.4164.1000113R91 R270 D308 Y309R91-L311 PolarHBondContact NH1-OXT 3.17Å; R270-L311 PolarHBondContact NH2-O 3.23Å; D308-L311 HydrophobicContact CB-CD1 4.5Å; D308-L311 WeakPolarHBondContact O-CB 3.45Å; D308-L311 WeakPolarHBondContact O-CD1 3.45Å; D308-L311 VanDerWaalsContact O-CG 3.31Å; D308-L311 WeakPolarHBondContact O-CG 3.44Å; D308-L311 PolarHBondContact O-N 2.92Å; Y309-L311 PolarHBondContact O-N 3.24Å

Retrieved 311 of 311 residues in 141 ms (Link to these results)

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