THEM6_DROME Loading...

Protein THEM6

AlphaFold DB , UniProt , Accession Q9W440, Species DROME (Drosophila melanogaster, Fruit fly), Gene n/a, Length 193 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
1M75.3Confident91.4Very high171 Ų171105.3 Ų105.384%0.84252%0.523SS*.  0127.60-166.7143.772.900107.6V5 V6 I9M1-V5 HydrophobicContact CG-CB 3.6Å; M1-V5 HydrophobicContact CG-CG1 3.46Å; M1-V5 VanDerWaalsContact CG-CG1 3.46Å; M1-V5 HydrophobicContact CG-CG2 4.49Å; M1-V5 HydrophobicContact SD-CB 4.31Å; M1-V5 HydrophobicContact SD-CG1 3.49Å; M1-V5 WeakPolarHBondContact SD-CG1 3.49Å; M1-V6 HydrophobicContact CE-CG2 4.12Å; M1-V6 HydrophobicContact CG-CG2 4.34Å; M1-I9 HydrophobicContact CE-CD1 3.56Å; M1-I9 HydrophobicContact SD-CD1 3.83Å
2S92.7Very high91.4Very high68 Ų68106.9 Ų106.948%0.47654%0.543SS..  trans-67.4153.418067.80000110.6L4 V5 V6S2-L4 PolarHBondContact O-N 2.82Å; S2-V5 PolarHBondContact O-N 3.46Å; S2-V5 WeakPolarHBondContact OG-CG2 3.38Å; S2-V6 PolarHBondContact O-N 3.5Å
3W93.7Very high91.6Very high218 Ų218107.6 Ų107.683%0.82655%0.547SS*.Hα-helixtrans-54.4-33.8176.4-72.3112.1000112.8V5 V6 L7W3-V5 PolarHBondContact O-N 3.12Å; W3-V6 PolarHBondContact O-N 3.11Å; W3-L7 WeakPolarHBondContact O-CG 3.45Å; W3-L7 PolarHBondContact O-N 3.32Å
4L94.2Very high91.7Very high126 Ų126110.6 Ų110.666%0.6655%0.548SS*.Hα-helixtrans-61.2-42.4175.3-68.8173.2000112.4S2 V6 L7 L8S2-L4 PolarHBondContact O-N 2.82Å; L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 3.01Å; L4-L7 PolarHBondContact O-N 2.97Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.16Å
5V95Very high91.7Very high58 Ų58107.9 Ų107.935%0.35254%0.537SS..Hα-helixtrans-66.7-38.5177.9177.10000110.6M1 S2 W3 L8 I9M1-V5 HydrophobicContact CG-CB 3.6Å; M1-V5 HydrophobicContact CG-CG1 3.46Å; M1-V5 VanDerWaalsContact CG-CG1 3.46Å; M1-V5 HydrophobicContact CG-CG2 4.49Å; M1-V5 HydrophobicContact SD-CB 4.31Å; M1-V5 HydrophobicContact SD-CG1 3.49Å; M1-V5 WeakPolarHBondContact SD-CG1 3.49Å; S2-V5 PolarHBondContact O-N 3.46Å; S2-V5 WeakPolarHBondContact OG-CG2 3.38Å; W3-V5 PolarHBondContact O-N 3.12Å; V5-L8 PolarHBondContact O-N 3.3Å; V5-I9 HydrophobicContact CG1-CD1 3.91Å; V5-I9 HydrophobicContact CG1-CG1 4.43Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.38Å; V5-I9 PolarHBondContact O-N 3.1Å
6V92.7Very high91.8Very high47 Ų47103.9 Ų103.929%0.28552%0.52SS..Hα-helixtrans-61.6-44.7174.7178.50000111.1M1 S2 W3 L4 L8 I9 L10M1-V6 HydrophobicContact CE-CG2 4.12Å; M1-V6 HydrophobicContact CG-CG2 4.34Å; S2-V6 PolarHBondContact O-N 3.5Å; W3-V6 PolarHBondContact O-N 3.11Å; L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 3.01Å; V6-L8 PolarHBondContact O-N 3.48Å; V6-I9 PolarHBondContact O-N 3.17Å; V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 3.25Å
7L91.9Very high91.8Very high109 Ų109101 Ų10157%0.57151%0.506SS*.Hα-helixtrans-63.9-39.8177.1-70.1174.8000112.4W3 L4 L10 Y11W3-L7 WeakPolarHBondContact O-CG 3.45Å; W3-L7 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 3.5Å; L7-Y11 WeakPolarHBondContact O-CB 3.41Å; L7-Y11 PolarHBondContact O-N 3.5Å
8L93.5Very high91.9Very high112 Ų11298.1 Ų98.159%0.58649%0.489SS*.Hα-helixtrans-64-42.7174.7-72.2171.6000111.6L4 V5 V6 Y11 V12L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.16Å; V5-L8 PolarHBondContact O-N 3.3Å; V6-L8 PolarHBondContact O-N 3.48Å; L8-Y11 PolarHBondContact O-N 3.37Å; L8-V12 WeakPolarHBondContact O-CG2 3.26Å; L8-V12 PolarHBondContact O-N 2.66Å
9I93.1Very high92.1Very high69 Ų6998.7 Ų98.735%0.35449%0.488SS..Hα-helixtrans-60.5-46.6174.9-70.5165.5000110.3M1 V5 V6 Y11 V12 I13M1-I9 HydrophobicContact CE-CD1 3.56Å; M1-I9 HydrophobicContact SD-CD1 3.83Å; V5-I9 HydrophobicContact CG1-CD1 3.91Å; V5-I9 HydrophobicContact CG1-CG1 4.43Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.38Å; V5-I9 PolarHBondContact O-N 3.1Å; V6-I9 PolarHBondContact O-N 3.17Å; I9-Y11 VanDerWaalsContact C-N 3.3Å; I9-Y11 PolarHBondContact O-N 2.91Å; I9-V12 PolarHBondContact O-N 3.31Å; I9-V12 VanDerWaalsContact O-N 3.16Å; I9-I13 HydrophobicContact CG2-CD1 3.58Å; I9-I13 HydrophobicContact CG2-CG1 4.33Å; I9-I13 VanDerWaalsContact O-CG1 3.32Å; I9-I13 WeakPolarHBondContact O-CG1 3.32Å; I9-I13 PolarHBondContact O-N 2.92Å
10L91.3Very high92.2Very high76 Ų7699 Ų9940%0.39849%0.491SS..Hα-helixtrans-61.7-38.6176.9-71.3174.3000112V6 L7 V12 I13 W14V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 3.5Å; L10-V12 VanDerWaalsContact C-N 3.32Å; L10-I13 PolarHBondContact O-N 3.27Å; L10-W14 WeakPolarHBondContact O-CB 3.33Å; L10-W14 PolarHBondContact O-N 2.94Å
11Y92.2Very high92.4Very high104 Ų10497.6 Ų97.641%0.40848%0.48SS..Hα-helixtrans-68.5-29176.1-175.5-87.3000113.3L7 L8 I9 V16 N17L7-Y11 WeakPolarHBondContact O-CB 3.41Å; L7-Y11 PolarHBondContact O-N 3.5Å; L8-Y11 PolarHBondContact O-N 3.37Å; I9-Y11 VanDerWaalsContact C-N 3.3Å; I9-Y11 PolarHBondContact O-N 2.91Å; Y11-V16 HydrophobicContact CD2-CB 3.67Å; Y11-V16 HydrophobicContact CD2-CG1 4.05Å; Y11-V16 HydrophobicContact CD2-CG2 3.94Å; Y11-V16 HydrophobicContact CE2-CB 4.07Å; Y11-V16 HydrophobicContact CE2-CG1 4.39Å; Y11-V16 HydrophobicContact CG-CG2 4.46Å; Y11-N17 PolarHBondContact OH-ND2 3.05Å
12V91.5Very high93.4Very high125 Ų12590.4 Ų90.476%0.75845%0.446SS*.Hα-helixtrans-76.7-38.4173.6170.80000111.3L8 I9 L10L8-V12 WeakPolarHBondContact O-CG2 3.26Å; L8-V12 PolarHBondContact O-N 2.66Å; I9-V12 PolarHBondContact O-N 3.31Å; I9-V12 VanDerWaalsContact O-N 3.16Å; L10-V12 VanDerWaalsContact C-N 3.32Å
13I94Very high93.6Very high116 Ų11691.1 Ų91.160%0.59545%0.447SS*.Hα-helixtrans-76-41.2-178.3-68.2172.1000111.6I9 L10I9-I13 HydrophobicContact CG2-CD1 3.58Å; I9-I13 HydrophobicContact CG2-CG1 4.33Å; I9-I13 VanDerWaalsContact O-CG1 3.32Å; I9-I13 WeakPolarHBondContact O-CG1 3.32Å; I9-I13 PolarHBondContact O-N 2.92Å; L10-I13 PolarHBondContact O-N 3.27Å
14W92.9Very high93.8Very high149 Ų14987.5 Ų87.556%0.56444%0.438SS*.SBendtrans-105141.6-177.7-64.694.8000110.8L10 V16 F19L10-W14 WeakPolarHBondContact O-CB 3.33Å; L10-W14 PolarHBondContact O-N 2.94Å; W14-V16 HydrophobicContact CB-CG2 4.1Å; W14-V16 PolarHBondContact O-N 3.31Å; W14-F19 HydrophobicContact CE3-CE2 4.15Å
15D92Very high94Very high70 Ų7082 Ų8237%0.37441%0.409SS..  trans-74.670.6168.7-166.9-21.3000110.4N17 Y18 F19 R67D15-N17 PolarHBondContact O-N 3.34Å; D15-Y18 VanDerWaalsContact CG-CB 3.4Å; D15-Y18 VanDerWaalsContact O-CB 3.27Å; D15-Y18 WeakPolarHBondContact O-CB 3.22Å; D15-Y18 PolarHBondContact O-N 3.48Å; D15-Y18 WeakPolarHBondContact OD1-CB 3.32Å; D15-Y18 PolarHBondContact OD1-N 2.92Å; D15-F19 WeakPolarHBondContact O-CD2 3.45Å; D15-F19 PolarHBondContact O-N 3.12Å; D15-R67 VanDerWaalsContact CG-NH2 3.28Å; D15-R67 IonicContact OD1-CZ 3.1Å; D15-R67 IonicContact OD1-NH1 2.62Å; D15-R67 IonicContact OD1-NH2 3.1Å; D15-R67 PolarHBondContact OD1-NH2 3.35Å; D15-R67 IonicContact OD2-CZ 3.48Å; D15-R67 VanDerWaalsContact OD2-CZ 3.23Å; D15-R67 IonicContact OD2-NH1 2.65Å; D15-R67 PolarHBondContact OD2-NH1 2.84Å; D15-R67 IonicContact OD2-NH2 3.37Å; D15-R67 PolarHBondContact OD2-NH2 2.84Å
16V92.6Very high94.1Very high44 Ų4480.8 Ų80.827%0.26740%0.402SS..Hα-helixtrans-56.2-39.4-175.11730000110.9Y11 W14 Y18 F19 I20Y11-V16 HydrophobicContact CD2-CB 3.67Å; Y11-V16 HydrophobicContact CD2-CG1 4.05Å; Y11-V16 HydrophobicContact CD2-CG2 3.94Å; Y11-V16 HydrophobicContact CE2-CB 4.07Å; Y11-V16 HydrophobicContact CE2-CG1 4.39Å; Y11-V16 HydrophobicContact CG-CG2 4.46Å; W14-V16 HydrophobicContact CB-CG2 4.1Å; W14-V16 PolarHBondContact O-N 3.31Å; V16-Y18 VanDerWaalsContact C-N 3.33Å; V16-Y18 PolarHBondContact O-N 3.46Å; V16-F19 PolarHBondContact O-N 2.87Å; V16-I20 HydrophobicContact CG1-CD1 3.57Å; V16-I20 HydrophobicContact CG1-CG1 4.2Å; V16-I20 WeakPolarHBondContact O-CB 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 3.07Å
17N92.2Very high94.3Very high55 Ų5584.3 Ų84.329%0.29441%0.414SS..Hα-helixtrans-63.5-37.4177.4-65-49.7000112.4Y11 D15 R21Y11-N17 PolarHBondContact OH-ND2 3.05Å; D15-N17 PolarHBondContact O-N 3.34Å; N17-R21 WeakPolarHBondContact O-CB 3.48Å; N17-R21 PolarHBondContact O-N 3.33Å
18Y94.1Very high94.5Very high49 Ų4980 Ų8019%0.19239%0.394CS..Hα-helixtrans-58.4-54.3174-176.7-107.7000111D15 V16 I20 R21 C22 R67 D70 F71D15-Y18 VanDerWaalsContact CG-CB 3.4Å; D15-Y18 VanDerWaalsContact O-CB 3.27Å; D15-Y18 WeakPolarHBondContact O-CB 3.22Å; D15-Y18 PolarHBondContact O-N 3.48Å; D15-Y18 WeakPolarHBondContact OD1-CB 3.32Å; D15-Y18 PolarHBondContact OD1-N 2.92Å; V16-Y18 VanDerWaalsContact C-N 3.33Å; V16-Y18 PolarHBondContact O-N 3.46Å; Y18-I20 PolarHBondContact O-N 3.34Å; Y18-R21 PolarHBondContact O-N 2.89Å; Y18-C22 VanDerWaalsContact CE1-SG 3.58Å; Y18-C22 WeakPolarHBondContact O-CB 3.28Å; Y18-C22 PolarHBondContact O-N 3.16Å; Y18-C22 PolarHBondContact O-SG 2.93Å; Y18-R67 VanDerWaalsContact CA-NH2 3.33Å; Y18-R67 VanDerWaalsContact CB-NH2 3.27Å; Y18-D70 PolarHBondContact OH-OD2 2.89Å; Y18-D70 VanDerWaalsContact OH-OD2 3.06Å; Y18-F71 AromaticContact CD2-CE1 3.82Å; Y18-F71 HydrophobicContact CD2-CE1 3.82Å; Y18-F71 AromaticContact CD2-CZ 3.66Å; Y18-F71 HydrophobicContact CD2-CZ 3.66Å; Y18-F71 AromaticContact CE2-CE1 3.94Å; Y18-F71 HydrophobicContact CE2-CE1 3.94Å; Y18-F71 HydrophobicContact CE2-CZ 4.04Å
19F94.7Very high94.6Very high109 Ų10974.8 Ų74.848%0.47837%0.367SS..Hα-helixtrans-65.7-42.8-174.8-69-73.4000112.1W14 D15 V16 R21 C22 V23W14-F19 HydrophobicContact CE3-CE2 4.15Å; D15-F19 WeakPolarHBondContact O-CD2 3.45Å; D15-F19 PolarHBondContact O-N 3.12Å; V16-F19 PolarHBondContact O-N 2.87Å; F19-R21 VanDerWaalsContact C-N 3.32Å; F19-R21 PolarHBondContact O-N 3.4Å; F19-C22 PolarHBondContact O-N 2.93Å; F19-V23 WeakPolarHBondContact O-CB 3.38Å; F19-V23 WeakPolarHBondContact O-CG2 2.99Å; F19-V23 PolarHBondContact O-N 3.43Å
20I94.9Very high94.7Very high105 Ų10576.8 Ų76.854%0.53837%0.37SS..Hα-helixtrans-58.5-46.6174.1-68.8174.1000110V16 Y18 V23 F24V16-I20 HydrophobicContact CG1-CD1 3.57Å; V16-I20 HydrophobicContact CG1-CG1 4.2Å; V16-I20 WeakPolarHBondContact O-CB 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.31Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 3.07Å; Y18-I20 PolarHBondContact O-N 3.34Å; I20-V23 PolarHBondContact O-N 2.92Å; I20-F24 VanDerWaalsContact O-CB 3.24Å; I20-F24 WeakPolarHBondContact O-CB 3.2Å; I20-F24 PolarHBondContact O-N 2.96Å
21R95.7Very high94.9Very high70 Ų7079.4 Ų79.426%0.26438%0.384SS..Hα-helixtrans-67.2-36.9-179.8-171.8164-178.3172.68.8112.7N17 Y18 F19 T25 E68 F71N17-R21 WeakPolarHBondContact O-CB 3.48Å; N17-R21 PolarHBondContact O-N 3.33Å; Y18-R21 PolarHBondContact O-N 2.89Å; F19-R21 VanDerWaalsContact C-N 3.32Å; F19-R21 PolarHBondContact O-N 3.4Å; R21-T25 WeakPolarHBondContact O-CB 3.36Å; R21-T25 PolarHBondContact O-N 2.78Å; R21-T25 PolarHBondContact O-OG1 2.79Å; R21-E68 VanDerWaalsContact CZ-CD 3.49Å; R21-E68 IonicContact CZ-OE1 3.84Å; R21-E68 IonicContact CZ-OE2 3.94Å; R21-E68 IonicContact NE-OE1 3.23Å; R21-E68 IonicContact NE-OE2 3.97Å; R21-E68 VanDerWaalsContact NH1-CD 3.33Å; R21-E68 IonicContact NH1-OE1 3.84Å; R21-E68 PolarHBondContact NH1-OE1 3.24Å; R21-E68 IonicContact NH1-OE2 3.74Å; R21-E68 PolarHBondContact NH1-OE2 3.4Å; R21-E68 IonicContact NH2-OE1 2.62Å; R21-E68 PolarHBondContact NH2-OE1 2.86Å; R21-E68 IonicContact NH2-OE2 3.46Å; R21-E68 PolarHBondContact NH2-OE2 2.78Å; R21-F71 HydrophobicContact CB-CD1 4.38Å; R21-F71 HydrophobicContact CB-CE1 3.77Å; R21-F71 HydrophobicContact CB-CZ 3.87Å; R21-F71 VanDerWaalsContact CD-CE2 3.41Å; R21-F71 HydrophobicContact CG-CD1 3.88Å; R21-F71 HydrophobicContact CG-CD2 4.09Å; R21-F71 HydrophobicContact CG-CE1 3.69Å; R21-F71 HydrophobicContact CG-CE2 3.95Å; R21-F71 HydrophobicContact CG-CG 4.08Å; R21-F71 HydrophobicContact CG-CZ 3.75Å
22C97Very high95Very high19 Ų1982.5 Ų82.513%0.12840%0.4CS..Hα-helixtrans-59.3-53.8172.9-75.50000111.4Y18 F19 T25 V26 F71 F74Y18-C22 VanDerWaalsContact CE1-SG 3.58Å; Y18-C22 WeakPolarHBondContact O-CB 3.28Å; Y18-C22 PolarHBondContact O-N 3.16Å; Y18-C22 PolarHBondContact O-SG 2.93Å; F19-C22 PolarHBondContact O-N 2.93Å; C22-T25 PolarHBondContact O-N 3.37Å; C22-V26 PolarHBondContact O-N 3.45Å; C22-V26 VanDerWaalsContact O-N 3.1Å; C22-F71 VanDerWaalsContact SG-CE1 3.55Å; C22-F74 VanDerWaalsContact SG-CE2 3.53Å
23V97.3Very high95.2Very high83 Ų8380.5 Ų80.550%0.50338%0.382SS..Hα-helixtrans-57.1-56.2177.6168.80000109F19 I20 T25 V26 F27F19-V23 WeakPolarHBondContact O-CB 3.38Å; F19-V23 WeakPolarHBondContact O-CG2 2.99Å; F19-V23 PolarHBondContact O-N 3.43Å; I20-V23 PolarHBondContact O-N 2.92Å; V23-T25 VanDerWaalsContact C-N 3.31Å; V23-T25 PolarHBondContact O-N 3.4Å; V23-V26 PolarHBondContact O-N 3.24Å; V23-F27 HydrophobicContact CB-CD2 4.34Å; V23-F27 HydrophobicContact CG1-CD2 3.46Å; V23-F27 VanDerWaalsContact CG1-CD2 3.46Å; V23-F27 HydrophobicContact CG1-CE2 3.68Å; V23-F27 WeakPolarHBondContact O-CB 3.43Å; V23-F27 WeakPolarHBondContact O-CD2 3.5Å; V23-F27 PolarHBondContact O-N 2.88Å
24F97.5Very high95.3Very high143 Ų14385.1 Ų85.163%0.62739%0.392SS*.Hα-helixtrans-54.1-45.9179.6-179.7-97.4000112.4I20 V26 A28I20-F24 VanDerWaalsContact O-CB 3.24Å; I20-F24 WeakPolarHBondContact O-CB 3.2Å; I20-F24 PolarHBondContact O-N 2.96Å; F24-V26 PolarHBondContact O-N 3.04Å; F24-A28 HydrophobicContact CE1-CB 4.29Å; F24-A28 HydrophobicContact CE2-CB 4.4Å; F24-A28 HydrophobicContact CZ-CB 4.22Å; F24-A28 WeakPolarHBondContact O-CA 3.42Å; F24-A28 WeakPolarHBondContact O-CB 3.34Å; F24-A28 PolarHBondContact O-N 3.45Å
25T98Very high95.4Very high9 Ų984.2 Ų84.26%0.05539%0.392CS..Hα-helixtrans-60.2-47.2-179.5-62.10000112.3R21 C22 V23 G29 I44 F71 H75R21-T25 WeakPolarHBondContact O-CB 3.36Å; R21-T25 PolarHBondContact O-N 2.78Å; R21-T25 PolarHBondContact O-OG1 2.79Å; C22-T25 PolarHBondContact O-N 3.37Å; V23-T25 VanDerWaalsContact C-N 3.31Å; V23-T25 PolarHBondContact O-N 3.4Å; T25-G29 PolarHBondContact O-N 2.92Å; T25-I44 HydrophobicContact CG2-CD1 3.68Å; T25-F71 HydrophobicContact CG2-CB 4.4Å; T25-F71 WeakPolarHBondContact CG2-O 3.36Å; T25-H75 HydrophobicContact CG2-CB 3.77Å
26V97.4Very high95.7Very high34 Ų3487.3 Ų87.321%0.20640%0.399CS..Hα-helixtrans-70.5-46.5-179.2174.10000111C22 V23 F24 R30 F74 A78C22-V26 PolarHBondContact O-N 3.45Å; C22-V26 VanDerWaalsContact O-N 3.1Å; V23-V26 PolarHBondContact O-N 3.24Å; F24-V26 PolarHBondContact O-N 3.04Å; V26-R30 WeakPolarHBondContact O-CB 3.33Å; V26-R30 WeakPolarHBondContact O-CG 3.33Å; V26-R30 PolarHBondContact O-N 3.31Å; V26-F74 HydrophobicContact CG2-CB 3.99Å; V26-A78 HydrophobicContact CG1-CB 4.24Å
27F97.2Very high95.9Very high121 Ų12190.8 Ų90.853%0.53141%0.41SS..Hα-helixtrans-66.5-47.9-179.2-81.6-80.2000111.7V23 G29 R30 L31V23-F27 HydrophobicContact CB-CD2 4.34Å; V23-F27 HydrophobicContact CG1-CD2 3.46Å; V23-F27 VanDerWaalsContact CG1-CD2 3.46Å; V23-F27 HydrophobicContact CG1-CE2 3.68Å; V23-F27 WeakPolarHBondContact O-CB 3.43Å; V23-F27 WeakPolarHBondContact O-CD2 3.5Å; V23-F27 PolarHBondContact O-N 2.88Å; F27-G29 VanDerWaalsContact C-N 3.35Å; F27-G29 PolarHBondContact O-N 3.41Å; F27-R30 PolarHBondContact O-N 3.39Å; F27-L31 WeakPolarHBondContact O-CB 3.49Å; F27-L31 WeakPolarHBondContact O-CG 3.34Å; F27-L31 PolarHBondContact O-N 2.73Å
28A96.1Very high96.2Very high18 Ų1888.2 Ų88.215%0.14940%0.396CS..Hα-helixtrans-62.8-41.4177.500000111.7F24 R30 L31 F32F24-A28 HydrophobicContact CE1-CB 4.29Å; F24-A28 HydrophobicContact CE2-CB 4.4Å; F24-A28 HydrophobicContact CZ-CB 4.22Å; F24-A28 WeakPolarHBondContact O-CA 3.42Å; F24-A28 WeakPolarHBondContact O-CB 3.34Å; F24-A28 PolarHBondContact O-N 3.45Å; A28-R30 VanDerWaalsContact C-N 3.35Å; A28-R30 PolarHBondContact O-N 3.43Å; A28-L31 PolarHBondContact O-N 3.08Å; A28-F32 HydrophobicContact CB-CD2 3.95Å; A28-F32 HydrophobicContact CB-CE2 4.31Å; A28-F32 WeakPolarHBondContact O-CB 3.13Å; A28-F32 WeakPolarHBondContact O-CD2 3.47Å; A28-F32 PolarHBondContact O-N 3.34Å
29G95.7Very high96.3Very high3 Ų388.1 Ų88.13%0.03140%0.401CS..Hα-helixtrans-59.5-43.4174.700000112.6T25 F27 Q33 L79T25-G29 PolarHBondContact O-N 2.92Å; F27-G29 VanDerWaalsContact C-N 3.35Å; F27-G29 PolarHBondContact O-N 3.41Å; G29-Q33 WeakPolarHBondContact O-CB 3.16Å; G29-Q33 PolarHBondContact O-N 3.44Å; G29-L79 WeakPolarHBondContact O-CD2 3.3Å
30R94.3Very high96.4Very high111 Ų11185.7 Ų85.742%0.41939%0.393SS..Hα-helixtrans-71.1-34.6178.9-73.8178.7175.4168.72.8113.8V26 F27 A28 A78 E84V26-R30 WeakPolarHBondContact O-CB 3.33Å; V26-R30 WeakPolarHBondContact O-CG 3.33Å; V26-R30 PolarHBondContact O-N 3.31Å; F27-R30 PolarHBondContact O-N 3.39Å; A28-R30 VanDerWaalsContact C-N 3.35Å; A28-R30 PolarHBondContact O-N 3.43Å; R30-A78 HydrophobicContact CG-CB 4.2Å; R30-E84 IonicContact CZ-OE1 3.33Å; R30-E84 IonicContact NE-OE1 3.31Å; R30-E84 PolarHBondContact NE-OE1 3.1Å; R30-E84 IonicContact NH2-OE1 2.66Å; R30-E84 PolarHBondContact NH2-OE1 3.33Å
31L95.1Very high96.6Very high130 Ų13083.7 Ų83.768%0.68139%0.386SS*.Hα-helixtrans-86.3-40.2-175.2-68.9175.2000113F27 A28F27-L31 WeakPolarHBondContact O-CB 3.49Å; F27-L31 WeakPolarHBondContact O-CG 3.34Å; F27-L31 PolarHBondContact O-N 2.73Å; A28-L31 PolarHBondContact O-N 3.08Å
32F95.1Very high96.7Very high169 Ų16980.5 Ų80.574%0.74137%0.374SS*.Hα-helixtrans-104.8-8.1-170.1-58.1-64.2000114.2A28A28-F32 HydrophobicContact CB-CD2 3.95Å; A28-F32 HydrophobicContact CB-CE2 4.31Å; A28-F32 WeakPolarHBondContact O-CB 3.13Å; A28-F32 WeakPolarHBondContact O-CD2 3.47Å; A28-F32 PolarHBondContact O-N 3.34Å
33Q96Very high96.8Very high84 Ų8481.2 Ų81.239%0.39338%0.378SS..SBendtrans-126.7146.1-177.4-59.1-174.2-15.200112.2G29 H75 L79G29-Q33 WeakPolarHBondContact O-CB 3.16Å; G29-Q33 PolarHBondContact O-N 3.44Å; Q33-H75 PolarHBondContact OE1-CE1 3.46Å; Q33-H75 PolarHBondContact OE1-NE2 2.74Å; Q33-L79 HydrophobicContact CB-CD2 3.77Å
34R95.3Very high96.8Very high213 Ų21378.6 Ų78.680%0.80436%0.361SS*.  trans-73.5150.6176.7-64.3-177.3-179.1175.40.3110.7
35K96.3Very high96.8Very high129 Ų12978.7 Ų78.756%0.56136%0.358SS*.  trans-56.6145.2170.7-67.3-67.2-175.81760110.8A78 L79K35-A78 PolarHBondContact NZ-O 2.7Å; K35-L79 CarbonylContact C-O 3.5Å; K35-L79 VanDerWaalsContact CA-O 3.26Å; K35-L79 WeakPolarHBondContact CA-O 3.46Å; K35-L79 WeakPolarHBondContact CD-O 3.48Å
36R97Very high96.8Very high135 Ų13578.9 Ų78.951%0.50936%0.362SS..  trans-119.6154.1-178.7-62.3-62.4-175.7168.41.2110D40 T42 L79R36-D40 HydrophobicContact CB-CB 4.36Å; R36-T42 HydrophobicContact CB-CG2 4.41Å; R36-T42 HydrophobicContact CG-CG2 4.38Å; R36-L79 HydrophobicContact CB-CB 4.32Å; R36-L79 HydrophobicContact CG-CB 4.13Å; R36-L79 HydrophobicContact CG-CD1 3.96Å; R36-L79 PolarHBondContact N-O 3.15Å
37K97.3Very high96.8Very high118 Ų11881.1 Ų81.151%0.51337%0.372SS..  trans-64.7150.5169.5-61.6179.4178.8179.30109T39 D40 E164K37-T39 PolarHBondContact O-N 3.29Å; K37-D40 HydrophobicContact CB-CB 4.34Å; K37-D40 WeakPolarHBondContact CB-OD2 3.33Å; K37-D40 PolarHBondContact N-OD2 2.88Å; K37-D40 WeakPolarHBondContact O-CB 3.24Å; K37-D40 PolarHBondContact O-N 3.49Å; K37-D40 VanDerWaalsContact O-N 3.1Å; K37-E164 VanDerWaalsContact CA-OE1 3.27Å; K37-E164 WeakPolarHBondContact CA-OE1 3.43Å; K37-E164 HydrophobicContact CB-CG 4.05Å; K37-E164 WeakPolarHBondContact CB-OE1 3.37Å; K37-E164 HydrophobicContact CD-CB 4.4Å
38V97.5Very high96.8Very high0 Ų075.3 Ų75.30%035%0.347CS..THydrogen-bonded Turntrans-67.1-21.2179.775.20000112.4F76 T80 L82 L118 L159 Y162 E164 T165V38-F76 HydrophobicContact CG2-CE1 4.46Å; V38-F76 HydrophobicContact CG2-CZ 4.08Å; V38-F76 WeakPolarHBondContact O-CZ 3.28Å; V38-T80 HydrophobicContact CB-CG2 4.44Å; V38-T80 HydrophobicContact CG2-CG2 4.41Å; V38-L82 HydrophobicContact CG2-CD2 4.23Å; V38-L118 HydrophobicContact CG1-CD2 4.45Å; V38-L118 HydrophobicContact CG2-CD2 3.85Å; V38-L118 WeakPolarHBondContact O-CB 3.23Å; V38-L159 HydrophobicContact CG1-CD2 4.31Å; V38-L159 HydrophobicContact CG2-CD2 4.08Å; V38-Y162 HydrophobicContact CB-CD1 3.91Å; V38-Y162 HydrophobicContact CB-CE1 3.9Å; V38-Y162 HydrophobicContact CB-CE2 4.48Å; V38-Y162 HydrophobicContact CB-CG 4.2Å; V38-Y162 HydrophobicContact CG1-CD1 3.9Å; V38-Y162 HydrophobicContact CG1-CD2 4.2Å; V38-Y162 HydrophobicContact CG1-CE1 4.37Å; V38-Y162 HydrophobicContact CG1-CG 3.78Å; V38-E164 HydrophobicContact CG1-CG 4.05Å; V38-E164 PolarHBondContact N-OE1 2.84Å; V38-T165 HydrophobicContact CG1-CG2 3.35Å
39T96.7Very high96.7Very high48 Ų4876.6 Ų76.629%0.29435%0.353SS..THydrogen-bonded Turntrans-89.5-9175.554.70000113.8K37 E164 T165K37-T39 PolarHBondContact O-N 3.29Å; T39-E164 HydrophobicContact CG2-CG 3.99Å; T39-T165 HydrophobicContact CG2-CG2 4.47Å
40D97.3Very high96.6Very high57 Ų5780.6 Ų80.631%0.30538%0.38SS..SBendtrans-73.4147.6177.2-69.9-21000110.9R36 K37 T42R36-D40 HydrophobicContact CB-CB 4.36Å; K37-D40 HydrophobicContact CB-CB 4.34Å; K37-D40 WeakPolarHBondContact CB-OD2 3.33Å; K37-D40 PolarHBondContact N-OD2 2.88Å; K37-D40 WeakPolarHBondContact O-CB 3.24Å; K37-D40 PolarHBondContact O-N 3.49Å; K37-D40 VanDerWaalsContact O-N 3.1Å; D40-T42 PolarHBondContact O-N 2.91Å
41T98.4Very high96.5Very high63 Ų6380.2 Ų80.239%0.38738%0.383SS..PPolyproline II helixtrans-74123.3167.2-59.20000109.8Q115 T116T41-Q115 HydrophobicContact CG2-CB 3.74Å; T41-Q115 HydrophobicContact CG2-CG 4.15Å; T41-T116 WeakPolarHBondContact CA-O 3.5Å
42T98.5Very high96.4Very high3 Ų374.4 Ų74.42%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-92.9152.8171.161.90000110.6R36 D40 F76 L79 Q115 T116R36-T42 HydrophobicContact CB-CG2 4.41Å; R36-T42 HydrophobicContact CG-CG2 4.38Å; D40-T42 PolarHBondContact O-N 2.91Å; T42-F76 HydrophobicContact CG2-CD2 3.62Å; T42-F76 HydrophobicContact CG2-CE2 4.31Å; T42-F76 HydrophobicContact CG2-CG 4.47Å; T42-F76 WeakPolarHBondContact OG1-CD2 3.26Å; T42-L79 HydrophobicContact CG2-CB 4.33Å; T42-L79 HydrophobicContact CG2-CD1 3.97Å; T42-Q115 CarbonylContact O-C 3.56Å; T42-Q115 VanDerWaalsContact O-CA 3.3Å; T42-Q115 WeakPolarHBondContact O-CA 3.44Å; T42-T116 PolarHBondContact N-O 3.39Å; T42-T116 PolarHBondContact O-N 3.1Å; T42-T116 PolarHBondContact OG1-O 3.24Å
43T98.4Very high96.4Very high34 Ų3467.5 Ų67.521%0.20932%0.324CS..EExtended strand (participates in β ladder)trans-132126.3180-59.10000109.9Y45 H75 K113 I114 Q115T43-Y45 HydrophobicContact CG2-CD2 4.45Å; T43-Y45 HydrophobicContact CG2-CE2 3.87Å; T43-H75 PolarHBondContact O-CE1 2.99Å; T43-H75 VanDerWaalsContact O-CE1 3.26Å; T43-K113 HydrophobicContact CG2-CB 3.8Å; T43-K113 HydrophobicContact CG2-CD 3.99Å; T43-K113 HydrophobicContact CG2-CG 4.29Å; T43-I114 WeakPolarHBondContact CA-O 3.47Å; T43-Q115 HydrophobicContact CG2-CG 4.49Å
44I98.1Very high96.2Very high28 Ų2864.5 Ų64.514%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-116.9150.1168.2-169170.5000109.3T25 A72 H75 K113 I114T25-I44 HydrophobicContact CG2-CD1 3.68Å; I44-A72 HydrophobicContact CG2-CB 3.76Å; I44-H75 HydrophobicContact CD1-CB 4.01Å; I44-K113 CarbonylContact O-C 3.59Å; I44-K113 VanDerWaalsContact O-CA 3.24Å; I44-K113 WeakPolarHBondContact O-CA 3.47Å; I44-I114 HydrophobicContact CG2-CB 3.88Å; I44-I114 HydrophobicContact CG2-CD1 4.4Å; I44-I114 HydrophobicContact CG2-CG1 4.46Å; I44-I114 PolarHBondContact N-O 3.45Å; I44-I114 VanDerWaalsContact N-O 3.08Å; I44-I114 PolarHBondContact O-N 2.87Å
45Y97.9Very high95.9Very high146 Ų14661.4 Ų61.457%0.57331%0.309SS*.EExtended strand (participates in β ladder)trans-109.7148.3-179-64.4-95.3000110.6T43 Y112 K113 L135T43-Y45 HydrophobicContact CG2-CD2 4.45Å; T43-Y45 HydrophobicContact CG2-CE2 3.87Å; Y45-Y112 WeakPolarHBondContact CA-O 3.47Å; Y45-K113 HydrophobicContact CD1-CB 3.82Å; Y45-K113 HydrophobicContact CE1-CB 3.89Å; Y45-K113 HydrophobicContact CE1-CD 4.37Å; Y45-K113 HydrophobicContact CG-CB 4.45Å; Y45-L135 HydrophobicContact CD1-CD1 4.1Å; Y45-L135 HydrophobicContact CD1-CD2 4.36Å; Y45-L135 HydrophobicContact CE1-CD1 4.31Å; Y45-L135 HydrophobicContact CE1-CD2 4.16Å
46G97Very high95.7Very high13 Ų1362.4 Ų62.413%0.13431%0.313CS..EExtended strand (participates in β ladder)trans-147.7165.4177.700000111.9P111 Y112G46-P111 WeakPolarHBondContact O-CA 3.25Å; G46-Y112 PolarHBondContact N-O 2.72Å; G46-Y112 PolarHBondContact O-N 2.89Å; G46-Y112 VanDerWaalsContact O-O 3.12Å
47L97.3Very high95.5Very high80 Ų8061.2 Ų61.242%0.41932%0.316SS..EExtended strand (participates in β ladder)trans-123.3134.8174.2-179.465.8000107.7T49 F109 P111L47-T49 HydrophobicContact CB-CG2 4.46Å; L47-T49 HydrophobicContact CG-CG2 4.43Å; L47-T49 PolarHBondContact O-N 3.1Å; L47-F109 WeakPolarHBondContact CD1-O 3.31Å; L47-P111 HydrophobicContact CD1-CB 4.35Å
48C96.8Very high95.3Very high0 Ų064.2 Ų64.20%032%0.324CS..  trans-73.7104.2171.6-175.10000108.5M60 I106 P107 F109 H110 Y112C48-M60 HydrophobicContact CB-CE 4.22Å; C48-I106 HydrophobicContact CB-CG2 3.86Å; C48-P107 WeakPolarHBondContact CB-O 3.49Å; C48-F109 VanDerWaalsContact O-CA 3.29Å; C48-F109 WeakPolarHBondContact O-CA 3.48Å; C48-F109 PolarHBondContact O-N 3.22Å; C48-H110 PolarHBondContact N-O 3.46Å; C48-Y112 HydrophobicContact CB-CE1 4.44Å
49T95.2Very high95.2Very high45 Ų4566.4 Ų66.428%0.27633%0.334SS..  trans-95.6175-17671.50000111.9L47 Q51 D52L47-T49 HydrophobicContact CB-CG2 4.46Å; L47-T49 HydrophobicContact CG-CG2 4.43Å; L47-T49 PolarHBondContact O-N 3.1Å; T49-Q51 PolarHBondContact O-N 3.3Å; T49-Q51 VanDerWaalsContact O-N 3.16Å; T49-Q51 PolarHBondContact OG1-N 2.83Å; T49-D52 WeakPolarHBondContact CB-OD2 3.35Å; T49-D52 PolarHBondContact N-OD2 3.4Å; T49-D52 WeakPolarHBondContact O-CB 3.42Å; T49-D52 PolarHBondContact O-N 3.13Å; T49-D52 PolarHBondContact OG1-OD2 3.26Å
50S93.7Very high95.2Very high86 Ų8664.1 Ų64.160%0.60132%0.32SS*.THydrogen-bonded Turntrans-61.6-16.7172.554.40000114.1D52 V53S50-D52 VanDerWaalsContact C-N 3.34Å; S50-V53 WeakPolarHBondContact O-CG2 3.24Å
51Q91.4Very high95.1Very high103 Ų10364.4 Ų64.448%0.48132%0.322SS..THydrogen-bonded Turntrans-83.5-14.5174-64-174.1-1700112.8T49 R64T49-Q51 PolarHBondContact O-N 3.3Å; T49-Q51 VanDerWaalsContact O-N 3.16Å; T49-Q51 PolarHBondContact OG1-N 2.83Å; Q51-R64 VanDerWaalsContact O-CZ 3.29Å; Q51-R64 PolarHBondContact O-NE 3Å; Q51-R64 PolarHBondContact O-NH2 3Å
52D93.4Very high94.9Very high8 Ų865.6 Ų65.64%0.04333%0.326CS..THydrogen-bonded Turntrans-97.6-10.5-173.8-58.6-53.4000113.2T49 S50 M60 N61 R64T49-D52 WeakPolarHBondContact CB-OD2 3.35Å; T49-D52 PolarHBondContact N-OD2 3.4Å; T49-D52 WeakPolarHBondContact O-CB 3.42Å; T49-D52 PolarHBondContact O-N 3.13Å; T49-D52 PolarHBondContact OG1-OD2 3.26Å; S50-D52 VanDerWaalsContact C-N 3.34Å; D52-M60 HydrophobicContact CB-CE 4.34Å; D52-M60 CarbonylContact O-C 3.56Å; D52-M60 WeakPolarHBondContact O-CA 3.22Å; D52-N61 WeakPolarHBondContact O-CB 3.42Å; D52-N61 PolarHBondContact O-N 3.25Å; D52-R64 HydrophobicContact CB-CB 4.44Å; D52-R64 HydrophobicContact CB-CG 4.32Å; D52-R64 WeakPolarHBondContact O-CG 3.16Å
53V93.9Very high94.8Very high24 Ų2468.5 Ų68.515%0.14535%0.35CS..BIsolated β-bridgetrans-78159.9-169.4-62.90000114.4S50 I57 H59 I108S50-V53 WeakPolarHBondContact O-CG2 3.24Å; V53-I57 HydrophobicContact CG2-CB 4.24Å; V53-I57 HydrophobicContact CG2-CG1 4.3Å; V53-I57 HydrophobicContact CG2-CG2 4.04Å; V53-H59 CarbonylContact C-O 3.58Å; V53-H59 VanDerWaalsContact CA-O 3.23Å; V53-H59 WeakPolarHBondContact CA-O 3.37Å; V53-I108 HydrophobicContact CG1-CB 3.86Å; V53-I108 HydrophobicContact CG1-CD1 3.65Å; V53-I108 HydrophobicContact CG1-CG1 3.6Å
54D92.4Very high94.7Very high21 Ų2170.8 Ų70.811%0.11236%0.355CS..  trans-71.9178.1169.176.5-56.6000112.6F56 I57 R58 H59D54-F56 PolarHBondContact O-N 2.84Å; D54-F56 VanDerWaalsContact O-N 3.14Å; D54-F56 WeakPolarHBondContact OD2-CB 3.27Å; D54-F56 PolarHBondContact OD2-N 2.94Å; D54-F56 VanDerWaalsContact OD2-N 3.16Å; D54-I57 PolarHBondContact O-N 3.21Å; D54-I57 PolarHBondContact OD1-N 3.44Å; D54-R58 PolarHBondContact OD1-N 3.42Å; D54-H59 PolarHBondContact N-O 3.5Å; D54-H59 PolarHBondContact OD1-N 2.97Å; D54-H59 IonicContact OD2-NE2 3.64Å
55I89.2Confident94.6Very high149 Ų14969.5 Ų69.576%0.76435%0.349SS*.THydrogen-bonded Turntrans-60.2-25.2-178.3-165.1167.7000113.2
56F93.2Very high94.6Very high149 Ų14965.8 Ų65.865%0.65434%0.338SS*.THydrogen-bonded Turntrans-944178.3-58.9-68.1000113.9D54 R58D54-F56 PolarHBondContact O-N 2.84Å; D54-F56 VanDerWaalsContact O-N 3.14Å; D54-F56 WeakPolarHBondContact OD2-CB 3.27Å; D54-F56 PolarHBondContact OD2-N 2.94Å; D54-F56 VanDerWaalsContact OD2-N 3.16Å; F56-R58 HydrophobicContact CB-CG 4.19Å; F56-R58 PolarHBondContact O-N 2.98Å
57I91.2Very high94.6Very high111 Ų11167.4 Ų67.457%0.56934%0.34SS*.SBendtrans57.238.3178.1-45.1178.9000111.2V53 D54 I108V53-I57 HydrophobicContact CG2-CB 4.24Å; V53-I57 HydrophobicContact CG2-CG1 4.3Å; V53-I57 HydrophobicContact CG2-CG2 4.04Å; D54-I57 PolarHBondContact O-N 3.21Å; D54-I57 PolarHBondContact OD1-N 3.44Å; I57-I108 HydrophobicContact CG2-CD1 4.01Å
58R94Very high94.6Very high181 Ų18163.8 Ų63.868%0.68332%0.321SS*.SBendtrans-108.8-42.7-176.3-74.2-177.6176.7-177.2-1.7112.5D54 F56 P107 I108D54-R58 PolarHBondContact OD1-N 3.42Å; F56-R58 HydrophobicContact CB-CG 4.19Å; F56-R58 PolarHBondContact O-N 2.98Å; R58-P107 WeakPolarHBondContact O-CA 3.43Å; R58-I108 PolarHBondContact O-N 3.4Å
59H94.9Very high94.7Very high46 Ų4663.9 Ų63.921%0.21332%0.322CS..BIsolated β-bridgetrans-150.8167.4-172.56273.8000112V53 D54 N61 T105 I106V53-H59 CarbonylContact C-O 3.58Å; V53-H59 VanDerWaalsContact CA-O 3.23Å; V53-H59 WeakPolarHBondContact CA-O 3.37Å; D54-H59 PolarHBondContact N-O 3.5Å; D54-H59 PolarHBondContact OD1-N 2.97Å; D54-H59 IonicContact OD2-NE2 3.64Å; H59-N61 PolarHBondContact O-N 2.98Å; H59-T105 HydrophobicContact CB-CG2 4.36Å; H59-I106 CarbonylContact C-O 3.5Å; H59-I106 VanDerWaalsContact CA-O 3.24Å; H59-I106 WeakPolarHBondContact CA-O 3.41Å; H59-I106 VanDerWaalsContact CB-O 3.29Å; H59-I106 WeakPolarHBondContact CB-O 3.4Å
60M96.8Very high94.8Very high0 Ų063.4 Ų63.40%032%0.317CS..BIsolated β-bridgetrans-54.6129.4175.5-173.9172.6-77.600110.9C48 D52 R64 Y65 I106 Y112 F132C48-M60 HydrophobicContact CB-CE 4.22Å; D52-M60 HydrophobicContact CB-CE 4.34Å; D52-M60 CarbonylContact O-C 3.56Å; D52-M60 WeakPolarHBondContact O-CA 3.22Å; M60-R64 HydrophobicContact CG-CB 3.78Å; M60-R64 HydrophobicContact SD-CB 4.39Å; M60-Y65 HydrophobicContact CB-CD2 4.39Å; M60-Y65 HydrophobicContact CB-CE2 3.71Å; M60-Y65 HydrophobicContact CG-CD2 3.77Å; M60-Y65 HydrophobicContact CG-CE2 3.6Å; M60-Y65 HydrophobicContact SD-CD1 4.12Å; M60-Y65 HydrophobicContact SD-CD2 3.79Å; M60-Y65 HydrophobicContact SD-CE1 4.14Å; M60-Y65 HydrophobicContact SD-CE2 3.81Å; M60-Y65 HydrophobicContact SD-CG 3.95Å; M60-I106 HydrophobicContact CB-CB 4.2Å; M60-I106 PolarHBondContact N-O 3.49Å; M60-I106 HydrophobicContact SD-CD1 4.2Å; M60-Y112 HydrophobicContact CE-CD1 4.37Å; M60-Y112 HydrophobicContact CE-CE1 3.48Å; M60-Y112 VanDerWaalsContact CE-CE1 3.48Å; M60-F132 HydrophobicContact SD-CE1 4.49Å
61N95.7Very high95Very high62 Ų6259.4 Ų59.433%0.33229%0.289SS..  trans-67.4142.1173.8-178.5-53.2000110.2D52 H59 A63 R64 Y65D52-N61 WeakPolarHBondContact O-CB 3.42Å; D52-N61 PolarHBondContact O-N 3.25Å; H59-N61 PolarHBondContact O-N 2.98Å; N61-A63 VanDerWaalsContact C-N 3.26Å; N61-A63 PolarHBondContact O-N 3.27Å; N61-A63 WeakPolarHBondContact OD1-CB 3.27Å; N61-A63 PolarHBondContact OD1-N 3.33Å; N61-R64 HydrophobicContact CB-CB 4.46Å; N61-R64 HydrophobicContact CB-CG 3.95Å; N61-R64 WeakPolarHBondContact O-CA 3.45Å; N61-R64 VanDerWaalsContact O-CB 3.3Å; N61-R64 WeakPolarHBondContact O-CB 3.42Å; N61-R64 PolarHBondContact O-N 2.83Å; N61-Y65 WeakPolarHBondContact O-CD2 3.24Å; N61-Y65 PolarHBondContact O-N 3.23Å
62N94.9Very high95.4Very high88 Ų8854.5 Ų54.547%0.47127%0.266SS..Hα-helixtrans-52.1-40.9179.3-63.9-16.3000113.4R64 Y65 Y102N62-R64 PolarHBondContact O-N 2.71Å; N62-Y65 PolarHBondContact O-N 3.31Å; N62-Y102 PolarHBondContact O-OH 3.38Å
63A94.9Very high95.6Very high65 Ų6554.7 Ų54.754%0.53727%0.267SS..Hα-helixtrans-65.7-26.9178.100000112.7N61 L66 R67N61-A63 VanDerWaalsContact C-N 3.26Å; N61-A63 PolarHBondContact O-N 3.27Å; N61-A63 WeakPolarHBondContact OD1-CB 3.27Å; N61-A63 PolarHBondContact OD1-N 3.33Å; A63-L66 PolarHBondContact O-N 3.06Å; A63-R67 PolarHBondContact O-N 3.13Å
64R95.9Very high95.8Very high81 Ų8156.4 Ų56.431%0.30627%0.272SS..Hα-helixtrans-73.3-31.7179.3-64.6-73.7-168.8-143.64.6111.9Q51 D52 M60 N61 N62 L66 R67 E68Q51-R64 VanDerWaalsContact O-CZ 3.29Å; Q51-R64 PolarHBondContact O-NE 3Å; Q51-R64 PolarHBondContact O-NH2 3Å; D52-R64 HydrophobicContact CB-CB 4.44Å; D52-R64 HydrophobicContact CB-CG 4.32Å; D52-R64 WeakPolarHBondContact O-CG 3.16Å; M60-R64 HydrophobicContact CG-CB 3.78Å; M60-R64 HydrophobicContact SD-CB 4.39Å; N61-R64 HydrophobicContact CB-CB 4.46Å; N61-R64 HydrophobicContact CB-CG 3.95Å; N61-R64 WeakPolarHBondContact O-CA 3.45Å; N61-R64 VanDerWaalsContact O-CB 3.3Å; N61-R64 WeakPolarHBondContact O-CB 3.42Å; N61-R64 PolarHBondContact O-N 2.83Å; N62-R64 PolarHBondContact O-N 2.71Å; R64-L66 PolarHBondContact O-N 2.8Å; R64-R67 PolarHBondContact O-N 3.43Å; R64-E68 WeakPolarHBondContact O-CB 3.27Å; R64-E68 VanDerWaalsContact O-CG 3.28Å; R64-E68 WeakPolarHBondContact O-CG 3.32Å; R64-E68 PolarHBondContact O-N 2.89Å
65Y97.6Very high96.1Very high2 Ų255.6 Ų55.61%0.00827%0.268CS..Hα-helixtrans-56.3-51.5170.6-73.3-98.5000111.1M60 N61 N62 R67 E68 L69 Y102 I106 F132 A142M60-Y65 HydrophobicContact CB-CD2 4.39Å; M60-Y65 HydrophobicContact CB-CE2 3.71Å; M60-Y65 HydrophobicContact CG-CD2 3.77Å; M60-Y65 HydrophobicContact CG-CE2 3.6Å; M60-Y65 HydrophobicContact SD-CD1 4.12Å; M60-Y65 HydrophobicContact SD-CD2 3.79Å; M60-Y65 HydrophobicContact SD-CE1 4.14Å; M60-Y65 HydrophobicContact SD-CE2 3.81Å; M60-Y65 HydrophobicContact SD-CG 3.95Å; N61-Y65 WeakPolarHBondContact O-CD2 3.24Å; N61-Y65 PolarHBondContact O-N 3.23Å; N62-Y65 PolarHBondContact O-N 3.31Å; Y65-R67 VanDerWaalsContact C-N 3.32Å; Y65-R67 PolarHBondContact O-N 3.28Å; Y65-E68 PolarHBondContact O-N 2.79Å; Y65-E68 VanDerWaalsContact O-N 3.15Å; Y65-L69 WeakPolarHBondContact O-CG 3.26Å; Y65-L69 PolarHBondContact O-N 2.67Å; Y65-Y102 HydrophobicContact CD1-CD1 4.48Å; Y65-Y102 HydrophobicContact CD1-CE1 4.11Å; Y65-Y102 HydrophobicContact CD2-CD1 4.3Å; Y65-Y102 AromaticContact CD2-CE1 3.65Å; Y65-Y102 HydrophobicContact CD2-CE1 3.65Å; Y65-Y102 HydrophobicContact CE1-CD1 4.48Å; Y65-Y102 HydrophobicContact CE2-CD1 4.29Å; Y65-Y102 HydrophobicContact CE2-CE1 4.09Å; Y65-Y102 HydrophobicContact CG-CD1 4.39Å; Y65-Y102 AromaticContact CG-CE1 3.66Å; Y65-Y102 HydrophobicContact CG-CE1 3.66Å; Y65-I106 HydrophobicContact CE1-CD1 3.63Å; Y65-I106 HydrophobicContact CE1-CG1 4.23Å; Y65-I106 WeakPolarHBondContact OH-CG1 3.31Å; Y65-I106 PolarHBondContact OH-N 3.22Å; Y65-F132 AromaticContact CD1-CD1 3.93Å; Y65-F132 HydrophobicContact CD1-CD1 3.93Å; Y65-F132 AromaticContact CD1-CD2 3.75Å; Y65-F132 HydrophobicContact CD1-CD2 3.75Å; Y65-F132 AromaticContact CD1-CE1 3.95Å; Y65-F132 HydrophobicContact CD1-CE1 3.95Å; Y65-F132 AromaticContact CD1-CE2 3.75Å; Y65-F132 HydrophobicContact CD1-CE2 3.75Å; Y65-F132 AromaticContact CD1-CG 3.84Å; Y65-F132 HydrophobicContact CD1-CG 3.84Å; Y65-F132 AromaticContact CD1-CZ 3.88Å; Y65-F132 HydrophobicContact CD1-CZ 3.88Å; Y65-F132 HydrophobicContact CE1-CB 4.39Å; Y65-F132 HydrophobicContact CE1-CD1 4.16Å; Y65-F132 HydrophobicContact CE1-CD2 4.36Å; Y65-F132 HydrophobicContact CE1-CG 4.06Å; Y65-F132 HydrophobicContact CG-CE2 4.46Å; Y65-F132 HydrophobicContact CG-CZ 4.41Å; Y65-F132 WeakPolarHBondContact O-CZ 3.33Å; Y65-A142 HydrophobicContact CD1-CB 3.79Å; Y65-A142 HydrophobicContact CE1-CB 3.74Å
66L97.1Very high96.5Very high68 Ų6848.5 Ų48.536%0.35623%0.231SC..Hα-helixtrans-60.3-41.1178.9-73.2174.9000112.5A63 R64 E68 L69 D70 V100A63-L66 PolarHBondContact O-N 3.06Å; R64-L66 PolarHBondContact O-N 2.8Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 2.77Å; L66-L69 HydrophobicContact CD2-CD1 4.19Å; L66-L69 WeakPolarHBondContact O-CB 3.35Å; L66-L69 PolarHBondContact O-N 3.05Å; L66-D70 PolarHBondContact O-N 3.37Å; L66-V100 HydrophobicContact CD2-CG2 3.49Å; L66-V100 VanDerWaalsContact CD2-CG2 3.49Å; L66-V100 HydrophobicContact CG-CG2 4.32Å
67R96.9Very high96.8Very high46 Ų4641.9 Ų41.917%0.17420%0.202CC..Hα-helixtrans-60.8-43.1175.1-177.4-179.1178.298.5-18.8112.1D15 Y18 A63 R64 Y65 L69 D70 F71D15-R67 VanDerWaalsContact CG-NH2 3.28Å; D15-R67 IonicContact OD1-CZ 3.1Å; D15-R67 IonicContact OD1-NH1 2.62Å; D15-R67 IonicContact OD1-NH2 3.1Å; D15-R67 PolarHBondContact OD1-NH2 3.35Å; D15-R67 IonicContact OD2-CZ 3.48Å; D15-R67 VanDerWaalsContact OD2-CZ 3.23Å; D15-R67 IonicContact OD2-NH1 2.65Å; D15-R67 PolarHBondContact OD2-NH1 2.84Å; D15-R67 IonicContact OD2-NH2 3.37Å; D15-R67 PolarHBondContact OD2-NH2 2.84Å; Y18-R67 VanDerWaalsContact CA-NH2 3.33Å; Y18-R67 VanDerWaalsContact CB-NH2 3.27Å; A63-R67 PolarHBondContact O-N 3.13Å; R64-R67 PolarHBondContact O-N 3.43Å; Y65-R67 VanDerWaalsContact C-N 3.32Å; Y65-R67 PolarHBondContact O-N 3.28Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 2.83Å; R67-D70 WeakPolarHBondContact O-CB 3.03Å; R67-D70 PolarHBondContact O-N 3.47Å; R67-F71 HydrophobicContact CG-CE2 3.87Å; R67-F71 HydrophobicContact CG-CZ 4.18Å; R67-F71 WeakPolarHBondContact O-CD2 3.4Å
68E97.9Very high97.1Very high4 Ų436.7 Ų36.72%0.01918%0.176CC..Hα-helixtrans-67-29.3178.1-70.4-57.3121.500112.7R21 R64 Y65 L66 D70 F71 A72 Y112 I114 F132R21-E68 VanDerWaalsContact CZ-CD 3.49Å; R21-E68 IonicContact CZ-OE1 3.84Å; R21-E68 IonicContact CZ-OE2 3.94Å; R21-E68 IonicContact NE-OE1 3.23Å; R21-E68 IonicContact NE-OE2 3.97Å; R21-E68 VanDerWaalsContact NH1-CD 3.33Å; R21-E68 IonicContact NH1-OE1 3.84Å; R21-E68 PolarHBondContact NH1-OE1 3.24Å; R21-E68 IonicContact NH1-OE2 3.74Å; R21-E68 PolarHBondContact NH1-OE2 3.4Å; R21-E68 IonicContact NH2-OE1 2.62Å; R21-E68 PolarHBondContact NH2-OE1 2.86Å; R21-E68 IonicContact NH2-OE2 3.46Å; R21-E68 PolarHBondContact NH2-OE2 2.78Å; R64-E68 WeakPolarHBondContact O-CB 3.27Å; R64-E68 VanDerWaalsContact O-CG 3.28Å; R64-E68 WeakPolarHBondContact O-CG 3.32Å; R64-E68 PolarHBondContact O-N 2.89Å; Y65-E68 PolarHBondContact O-N 2.79Å; Y65-E68 VanDerWaalsContact O-N 3.15Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 2.77Å; E68-D70 VanDerWaalsContact C-N 3.3Å; E68-D70 PolarHBondContact O-N 2.83Å; E68-F71 PolarHBondContact O-N 3.46Å; E68-F71 WeakPolarHBondContact OE1-CD2 3.42Å; E68-F71 WeakPolarHBondContact OE1-CE2 3.32Å; E68-A72 PolarHBondContact O-N 2.91Å; E68-Y112 WeakPolarHBondContact CG-OH 3.38Å; E68-Y112 PolarHBondContact OE2-OH 2.98Å; E68-I114 HydrophobicContact CB-CD1 3.82Å; E68-F132 HydrophobicContact CB-CE1 3.84Å; E68-F132 HydrophobicContact CB-CZ 3.75Å
69L98.2Very high97.3Very high2 Ų228.2 Ų28.21%0.0114%0.144CC..Hα-helixtrans-63.8-33.3172.3-65.6-178.3000112.6Y65 L66 R67 A72 R73 V100 I114 Q130 F132 A144Y65-L69 WeakPolarHBondContact O-CG 3.26Å; Y65-L69 PolarHBondContact O-N 2.67Å; L66-L69 HydrophobicContact CD2-CD1 4.19Å; L66-L69 WeakPolarHBondContact O-CB 3.35Å; L66-L69 PolarHBondContact O-N 3.05Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 2.83Å; L69-A72 PolarHBondContact O-N 2.83Å; L69-R73 WeakPolarHBondContact O-CG 3.27Å; L69-R73 PolarHBondContact O-N 2.8Å; L69-V100 HydrophobicContact CD1-CG2 4.49Å; L69-I114 HydrophobicContact CD2-CG2 4.19Å; L69-Q130 HydrophobicContact CD2-CB 3.42Å; L69-Q130 VanDerWaalsContact CD2-CB 3.42Å; L69-Q130 HydrophobicContact CD2-CG 4.11Å; L69-Q130 PolarHBondContact O-NE2 2.89Å; L69-F132 HydrophobicContact CD2-CD2 4.26Å; L69-F132 HydrophobicContact CD2-CE2 3.33Å; L69-F132 HydrophobicContact CD2-CZ 3.87Å; L69-F132 HydrophobicContact CG-CE2 3.83Å; L69-F132 HydrophobicContact CG-CZ 4.17Å; L69-A144 HydrophobicContact CD1-CB 3.31Å; L69-A144 HydrophobicContact CD2-CB 4.38Å; L69-A144 HydrophobicContact CG-CB 4.47Å
70D97.8Very high97.4Very high35 Ų3526.3 Ų26.319%0.18714%0.136CC..Hα-helixtrans-58.7-50.8173.8-73.93.5000110.7Y18 L66 R67 E68 A72 R73 F74Y18-D70 PolarHBondContact OH-OD2 2.89Å; Y18-D70 VanDerWaalsContact OH-OD2 3.06Å; L66-D70 PolarHBondContact O-N 3.37Å; R67-D70 WeakPolarHBondContact O-CB 3.03Å; R67-D70 PolarHBondContact O-N 3.47Å; E68-D70 VanDerWaalsContact C-N 3.3Å; E68-D70 PolarHBondContact O-N 2.83Å; D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 3.46Å; D70-R73 WeakPolarHBondContact O-CB 3.49Å; D70-R73 PolarHBondContact O-N 3.29Å; D70-R73 VanDerWaalsContact O-N 3.1Å; D70-R73 IonicContact OD1-CZ 2.98Å; D70-R73 IonicContact OD1-NH1 3.76Å; D70-R73 IonicContact OD1-NH2 2.67Å; D70-R73 PolarHBondContact OD1-NH2 3Å; D70-F74 HydrophobicContact CB-CE2 3.99Å; D70-F74 HydrophobicContact CB-CZ 4.2Å; D70-F74 WeakPolarHBondContact O-CD2 3.48Å; D70-F74 VanDerWaalsContact O-CG 3.24Å; D70-F74 WeakPolarHBondContact O-CG 3.41Å; D70-F74 PolarHBondContact O-N 3.49Å
71F98.3Very high97.4Very high2 Ų226.6 Ų26.61%0.00914%0.138CC..Hα-helixtrans-62.8-40.6179.5-53.3-54000111.3Y18 R21 C22 T25 R67 E68 R73 F74 H75Y18-F71 AromaticContact CD2-CE1 3.82Å; Y18-F71 HydrophobicContact CD2-CE1 3.82Å; Y18-F71 AromaticContact CD2-CZ 3.66Å; Y18-F71 HydrophobicContact CD2-CZ 3.66Å; Y18-F71 AromaticContact CE2-CE1 3.94Å; Y18-F71 HydrophobicContact CE2-CE1 3.94Å; Y18-F71 HydrophobicContact CE2-CZ 4.04Å; R21-F71 HydrophobicContact CB-CD1 4.38Å; R21-F71 HydrophobicContact CB-CE1 3.77Å; R21-F71 HydrophobicContact CB-CZ 3.87Å; R21-F71 VanDerWaalsContact CD-CE2 3.41Å; R21-F71 HydrophobicContact CG-CD1 3.88Å; R21-F71 HydrophobicContact CG-CD2 4.09Å; R21-F71 HydrophobicContact CG-CE1 3.69Å; R21-F71 HydrophobicContact CG-CE2 3.95Å; R21-F71 HydrophobicContact CG-CG 4.08Å; R21-F71 HydrophobicContact CG-CZ 3.75Å; C22-F71 VanDerWaalsContact SG-CE1 3.55Å; T25-F71 HydrophobicContact CG2-CB 4.4Å; T25-F71 WeakPolarHBondContact CG2-O 3.36Å; R67-F71 HydrophobicContact CG-CE2 3.87Å; R67-F71 HydrophobicContact CG-CZ 4.18Å; R67-F71 WeakPolarHBondContact O-CD2 3.4Å; E68-F71 PolarHBondContact O-N 3.46Å; E68-F71 WeakPolarHBondContact OE1-CD2 3.42Å; E68-F71 WeakPolarHBondContact OE1-CE2 3.32Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 3.32Å; F71-F74 HydrophobicContact CD1-CD2 4.43Å; F71-F74 PolarHBondContact O-N 2.91Å; F71-H75 VanDerWaalsContact O-CB 3.26Å; F71-H75 WeakPolarHBondContact O-CB 3.43Å; F71-H75 PolarHBondContact O-N 3.04Å
72A98.5Very high97.5Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-63.2-34.7174.700000112.6I44 E68 L69 D70 F76 I114I44-A72 HydrophobicContact CG2-CB 3.76Å; E68-A72 PolarHBondContact O-N 2.91Å; L69-A72 PolarHBondContact O-N 2.83Å; D70-A72 VanDerWaalsContact C-N 3.32Å; D70-A72 PolarHBondContact O-N 3.46Å; A72-F76 WeakPolarHBondContact O-CB 3.41Å; A72-F76 PolarHBondContact O-N 2.72Å; A72-I114 HydrophobicContact CB-CB 4.05Å; A72-I114 HydrophobicContact CB-CD1 4.1Å; A72-I114 HydrophobicContact CB-CG2 3.63Å
73R98.4Very high97.6Very high13 Ų1324.1 Ų24.15%0.04912%0.118CC..Hα-helixtrans-70.2-44.3172.5-71.1-165-54.6-95.82.8112.4L69 D70 F71 H75 F76 Y77 L128 Q148L69-R73 WeakPolarHBondContact O-CG 3.27Å; L69-R73 PolarHBondContact O-N 2.8Å; D70-R73 WeakPolarHBondContact O-CB 3.49Å; D70-R73 PolarHBondContact O-N 3.29Å; D70-R73 VanDerWaalsContact O-N 3.1Å; D70-R73 IonicContact OD1-CZ 2.98Å; D70-R73 IonicContact OD1-NH1 3.76Å; D70-R73 IonicContact OD1-NH2 2.67Å; D70-R73 PolarHBondContact OD1-NH2 3Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 3.32Å; R73-H75 VanDerWaalsContact C-N 3.27Å; R73-H75 PolarHBondContact O-N 3.46Å; R73-F76 WeakPolarHBondContact O-CB 3.2Å; R73-F76 PolarHBondContact O-N 2.86Å; R73-Y77 HydrophobicContact CB-CE2 4.41Å; R73-Y77 WeakPolarHBondContact O-CD2 3.38Å; R73-Y77 VanDerWaalsContact O-CG 3.23Å; R73-Y77 PolarHBondContact O-N 3.35Å; R73-L128 HydrophobicContact CB-CD1 4.49Å; R73-L128 HydrophobicContact CG-CD1 3.67Å; R73-Q148 VanDerWaalsContact NE-NE2 3.19Å
74F98.2Very high97.7Very high59 Ų5922.5 Ų22.526%0.25910%0.1SC..Hα-helixtrans-62.2-38.3177.2-59.2-28.4000111.7C22 V26 D70 F71 Y77 A78C22-F74 VanDerWaalsContact SG-CE2 3.53Å; V26-F74 HydrophobicContact CG2-CB 3.99Å; D70-F74 HydrophobicContact CB-CE2 3.99Å; D70-F74 HydrophobicContact CB-CZ 4.2Å; D70-F74 WeakPolarHBondContact O-CD2 3.48Å; D70-F74 VanDerWaalsContact O-CG 3.24Å; D70-F74 WeakPolarHBondContact O-CG 3.41Å; D70-F74 PolarHBondContact O-N 3.49Å; F71-F74 HydrophobicContact CD1-CD2 4.43Å; F71-F74 PolarHBondContact O-N 2.91Å; F74-Y77 HydrophobicContact CD1-CD2 4.35Å; F74-Y77 PolarHBondContact O-N 2.77Å; F74-A78 WeakPolarHBondContact O-CB 3.46Å; F74-A78 PolarHBondContact O-N 3.13Å
75H98.5Very high97.8Very high5 Ų522.3 Ų22.32%0.02310%0.099CC..Hα-helixtrans-60.5-51.1170.5179.5-100.5000111.9T25 Q33 T43 I44 F71 R73 Y77 A78 L79T25-H75 HydrophobicContact CG2-CB 3.77Å; Q33-H75 PolarHBondContact OE1-CE1 3.46Å; Q33-H75 PolarHBondContact OE1-NE2 2.74Å; T43-H75 PolarHBondContact O-CE1 2.99Å; T43-H75 VanDerWaalsContact O-CE1 3.26Å; I44-H75 HydrophobicContact CD1-CB 4.01Å; F71-H75 VanDerWaalsContact O-CB 3.26Å; F71-H75 WeakPolarHBondContact O-CB 3.43Å; F71-H75 PolarHBondContact O-N 3.04Å; R73-H75 VanDerWaalsContact C-N 3.27Å; R73-H75 PolarHBondContact O-N 3.46Å; H75-Y77 VanDerWaalsContact C-N 3.31Å; H75-Y77 PolarHBondContact O-N 3.02Å; H75-A78 PolarHBondContact O-N 3.41Å; H75-A78 VanDerWaalsContact O-N 3.16Å; H75-L79 WeakPolarHBondContact CE1-CD1 3.44Å; H75-L79 WeakPolarHBondContact O-CG 3.44Å; H75-L79 PolarHBondContact O-N 3.44Å
76F98.6Very high97.8Very high0 Ų022.3 Ų22.30%010%0.099CC..Hα-helixtrans-55.1-45.2175.3175.3-94.3000112V38 T42 A72 R73 L79 T80 L82 T116 L118 L128V38-F76 HydrophobicContact CG2-CE1 4.46Å; V38-F76 HydrophobicContact CG2-CZ 4.08Å; V38-F76 WeakPolarHBondContact O-CZ 3.28Å; T42-F76 HydrophobicContact CG2-CD2 3.62Å; T42-F76 HydrophobicContact CG2-CE2 4.31Å; T42-F76 HydrophobicContact CG2-CG 4.47Å; T42-F76 WeakPolarHBondContact OG1-CD2 3.26Å; A72-F76 WeakPolarHBondContact O-CB 3.41Å; A72-F76 PolarHBondContact O-N 2.72Å; R73-F76 WeakPolarHBondContact O-CB 3.2Å; R73-F76 PolarHBondContact O-N 2.86Å; F76-L79 PolarHBondContact O-N 2.86Å; F76-T80 HydrophobicContact CD2-CG2 4.11Å; F76-T80 HydrophobicContact CE1-CG2 4.23Å; F76-T80 HydrophobicContact CE2-CG2 3.78Å; F76-T80 HydrophobicContact CG-CG2 4.46Å; F76-T80 HydrophobicContact CZ-CG2 3.84Å; F76-T80 WeakPolarHBondContact O-CB 3.18Å; F76-T80 VanDerWaalsContact O-CG2 3.27Å; F76-T80 WeakPolarHBondContact O-CG2 3.49Å; F76-T80 PolarHBondContact O-N 3.18Å; F76-T80 PolarHBondContact O-OG1 2.98Å; F76-L82 HydrophobicContact CE1-CD2 4.03Å; F76-T116 HydrophobicContact CB-CG2 3.86Å; F76-T116 HydrophobicContact CD2-CG2 4.04Å; F76-T116 HydrophobicContact CG-CG2 3.95Å; F76-L118 HydrophobicContact CZ-CB 3.91Å; F76-L128 HydrophobicContact CD1-CD2 4.35Å; F76-L128 HydrophobicContact CE1-CD2 3.99Å; F76-L128 HydrophobicContact CZ-CD2 4.31Å
77Y98Very high97.8Very high9 Ų925.8 Ų25.84%0.03511%0.108CC..Hα-helixtrans-62-45.7176.3-65.1-21.4000112.7R73 F74 H75 L79 T80 G81 L82 Y83 I126 Q148R73-Y77 HydrophobicContact CB-CE2 4.41Å; R73-Y77 WeakPolarHBondContact O-CD2 3.38Å; R73-Y77 VanDerWaalsContact O-CG 3.23Å; R73-Y77 PolarHBondContact O-N 3.35Å; F74-Y77 HydrophobicContact CD1-CD2 4.35Å; F74-Y77 PolarHBondContact O-N 2.77Å; H75-Y77 VanDerWaalsContact C-N 3.31Å; H75-Y77 PolarHBondContact O-N 3.02Å; Y77-L79 VanDerWaalsContact C-N 3.31Å; Y77-L79 PolarHBondContact O-N 3.16Å; Y77-T80 PolarHBondContact O-N 3.34Å; Y77-T80 PolarHBondContact O-OG1 2.87Å; Y77-G81 WeakPolarHBondContact O-CA 3.36Å; Y77-G81 PolarHBondContact O-N 2.67Å; Y77-L82 HydrophobicContact CD1-CB 4.28Å; Y77-L82 HydrophobicContact CD1-CD2 4.11Å; Y77-L82 HydrophobicContact CD1-CG 4.46Å; Y77-L82 HydrophobicContact CE1-CD2 4.05Å; Y77-L82 PolarHBondContact O-N 3.4Å; Y77-Y83 HydrophobicContact CD2-CD2 4.39Å; Y77-I126 HydrophobicContact CE1-CD1 3.84Å; Y77-Q148 WeakPolarHBondContact OH-CG 3.27Å; Y77-Q148 PolarHBondContact OH-OE1 2.92Å
78A97.4Very high97.8Very high3 Ų329.1 Ų29.13%0.02513%0.129CC..Hα-helixtrans-61.7-38.5179.600000112.4V26 R30 K35 F74 H75V26-A78 HydrophobicContact CG1-CB 4.24Å; R30-A78 HydrophobicContact CG-CB 4.2Å; K35-A78 PolarHBondContact NZ-O 2.7Å; F74-A78 WeakPolarHBondContact O-CB 3.46Å; F74-A78 PolarHBondContact O-N 3.13Å; H75-A78 PolarHBondContact O-N 3.41Å; H75-A78 VanDerWaalsContact O-N 3.16Å
79L98.1Very high97.8Very high3 Ų333.1 Ų33.12%0.01614%0.144CC..Hα-helixtrans-77.8-33.4-180-64.3-165.1000113.7G29 Q33 K35 R36 T42 H75 F76 Y77G29-L79 WeakPolarHBondContact O-CD2 3.3Å; Q33-L79 HydrophobicContact CB-CD2 3.77Å; K35-L79 CarbonylContact C-O 3.5Å; K35-L79 VanDerWaalsContact CA-O 3.26Å; K35-L79 WeakPolarHBondContact CA-O 3.46Å; K35-L79 WeakPolarHBondContact CD-O 3.48Å; R36-L79 HydrophobicContact CB-CB 4.32Å; R36-L79 HydrophobicContact CG-CB 4.13Å; R36-L79 HydrophobicContact CG-CD1 3.96Å; R36-L79 PolarHBondContact N-O 3.15Å; T42-L79 HydrophobicContact CG2-CB 4.33Å; T42-L79 HydrophobicContact CG2-CD1 3.97Å; H75-L79 WeakPolarHBondContact CE1-CD1 3.44Å; H75-L79 WeakPolarHBondContact O-CG 3.44Å; H75-L79 PolarHBondContact O-N 3.44Å; F76-L79 PolarHBondContact O-N 2.86Å; Y77-L79 VanDerWaalsContact C-N 3.31Å; Y77-L79 PolarHBondContact O-N 3.16Å
80T98Very high97.7Very high6 Ų643.5 Ų43.54%0.03718%0.183CC..Hα-helixtrans-90.2-18.1-17858.10000112.8V38 F76 Y77 L82 R85 Y162V38-T80 HydrophobicContact CB-CG2 4.44Å; V38-T80 HydrophobicContact CG2-CG2 4.41Å; F76-T80 HydrophobicContact CD2-CG2 4.11Å; F76-T80 HydrophobicContact CE1-CG2 4.23Å; F76-T80 HydrophobicContact CE2-CG2 3.78Å; F76-T80 HydrophobicContact CG-CG2 4.46Å; F76-T80 HydrophobicContact CZ-CG2 3.84Å; F76-T80 WeakPolarHBondContact O-CB 3.18Å; F76-T80 VanDerWaalsContact O-CG2 3.27Å; F76-T80 WeakPolarHBondContact O-CG2 3.49Å; F76-T80 PolarHBondContact O-N 3.18Å; F76-T80 PolarHBondContact O-OG1 2.98Å; Y77-T80 PolarHBondContact O-N 3.34Å; Y77-T80 PolarHBondContact O-OG1 2.87Å; T80-L82 PolarHBondContact O-N 3.31Å; T80-L82 WeakPolarHBondContact OG1-CB 3.33Å; T80-L82 PolarHBondContact OG1-N 3.42Å; T80-R85 PolarHBondContact O-NH1 2.9Å; T80-Y162 WeakPolarHBondContact O-CE1 3.48Å; T80-Y162 PolarHBondContact O-OH 3.17Å
81G97.1Very high97.7Very high5 Ų542.3 Ų42.35%0.05218%0.179CC..THydrogen-bonded Turntrans7217.6-17300000113.3Y77 E84 R85 Y162Y77-G81 WeakPolarHBondContact O-CA 3.36Å; Y77-G81 PolarHBondContact O-N 2.67Å; G81-E84 WeakPolarHBondContact CA-OE2 3.39Å; G81-R85 WeakPolarHBondContact O-CG 3.37Å; G81-R85 PolarHBondContact O-N 2.89Å; G81-R85 PolarHBondContact O-NH1 3Å; G81-R85 VanDerWaalsContact O-NH1 3.08Å; G81-Y162 PolarHBondContact O-OH 3.19Å
82L97.8Very high97.6Very high1 Ų143 Ų431%0.00519%0.186CC..Hα-helixtrans-70.1-44-172.9178.558000111.3V38 F76 Y77 T80 E84 R85 I86 I126 V158 L159 Y162V38-L82 HydrophobicContact CG2-CD2 4.23Å; F76-L82 HydrophobicContact CE1-CD2 4.03Å; Y77-L82 HydrophobicContact CD1-CB 4.28Å; Y77-L82 HydrophobicContact CD1-CD2 4.11Å; Y77-L82 HydrophobicContact CD1-CG 4.46Å; Y77-L82 HydrophobicContact CE1-CD2 4.05Å; Y77-L82 PolarHBondContact O-N 3.4Å; T80-L82 PolarHBondContact O-N 3.31Å; T80-L82 WeakPolarHBondContact OG1-CB 3.33Å; T80-L82 PolarHBondContact OG1-N 3.42Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.34Å; L82-R85 PolarHBondContact O-N 3.39Å; L82-I86 HydrophobicContact CD1-CD1 4.2Å; L82-I86 HydrophobicContact CG-CD1 3.97Å; L82-I86 WeakPolarHBondContact O-CG1 3.14Å; L82-I86 PolarHBondContact O-N 3.01Å; L82-I126 HydrophobicContact CD2-CD1 3.53Å; L82-V158 HydrophobicContact CD1-CG1 3.74Å; L82-L159 HydrophobicContact CD1-CD2 4.01Å; L82-Y162 WeakPolarHBondContact CA-OH 3.4Å; L82-Y162 HydrophobicContact CD1-CE2 4.15Å; L82-Y162 PolarHBondContact N-OH 2.78Å; L82-Y162 VanDerWaalsContact N-OH 3.1Å
83Y96.6Very high97.6Very high97 Ų9744.2 Ų44.238%0.3820%0.197SC..Hα-helixtrans-68.8-34-179-173.1-102.9000112.1Y77 I86 R87 A93Y77-Y83 HydrophobicContact CD2-CD2 4.39Å; Y83-I86 PolarHBondContact O-N 3.18Å; Y83-R87 VanDerWaalsContact O-CB 3.32Å; Y83-R87 WeakPolarHBondContact O-CB 3.48Å; Y83-R87 PolarHBondContact O-N 3.41Å; Y83-A93 HydrophobicContact CD2-CB 4.42Å; Y83-A93 HydrophobicContact CE2-CB 4.37Å
84E96.8Very high97.5Very high32 Ų3247 Ų4715%0.1522%0.215CC..Hα-helixtrans-59.6-49.5172.4-65.586.7159.100110.7R30 G81 L82 I86 R87 D88R30-E84 IonicContact CZ-OE1 3.33Å; R30-E84 IonicContact NE-OE1 3.31Å; R30-E84 PolarHBondContact NE-OE1 3.1Å; R30-E84 IonicContact NH2-OE1 2.66Å; R30-E84 PolarHBondContact NH2-OE1 3.33Å; G81-E84 WeakPolarHBondContact CA-OE2 3.39Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.34Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 3.41Å; E84-R87 PolarHBondContact O-N 2.87Å; E84-R87 VanDerWaalsContact O-N 3.12Å; E84-D88 PolarHBondContact O-N 3.1Å
85R97.5Very high97.5Very high76 Ų7647.6 Ų47.629%0.28722%0.219SC..Hα-helixtrans-63-34.4177.3-71.4171.6173.381.8-6.2113.5T80 G81 L82 R89 V158 T161 Y162T80-R85 PolarHBondContact O-NH1 2.9Å; G81-R85 WeakPolarHBondContact O-CG 3.37Å; G81-R85 PolarHBondContact O-N 2.89Å; G81-R85 PolarHBondContact O-NH1 3Å; G81-R85 VanDerWaalsContact O-NH1 3.08Å; L82-R85 PolarHBondContact O-N 3.39Å; R85-R89 PolarHBondContact O-NH1 3.21Å; R85-V158 HydrophobicContact CB-CG1 4.13Å; R85-T161 VanDerWaalsContact CD-OG1 3.28Å; R85-T161 WeakPolarHBondContact CD-OG1 3.47Å; R85-T161 PolarHBondContact NE-OG1 2.96Å; R85-T161 VanDerWaalsContact NE-OG1 3.15Å; R85-Y162 WeakPolarHBondContact CD-OH 3.23Å; R85-Y162 VanDerWaalsContact NH1-CZ 3.33Å; R85-Y162 PolarHBondContact NH1-OH 2.82Å
86I97.8Very high97.4Very high2 Ų249.3 Ų49.31%0.0124%0.237CC..Hα-helixtrans-65.6-47.5173.4-70.8163.1000109.7L82 Y83 E84 D88 R89 R90 G91 I150 V158L82-I86 HydrophobicContact CD1-CD1 4.2Å; L82-I86 HydrophobicContact CG-CD1 3.97Å; L82-I86 WeakPolarHBondContact O-CG1 3.14Å; L82-I86 PolarHBondContact O-N 3.01Å; Y83-I86 PolarHBondContact O-N 3.18Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 3.41Å; I86-D88 PolarHBondContact O-N 3.36Å; I86-R89 CarbonylContact O-C 3.57Å; I86-R89 WeakPolarHBondContact O-CA 3.31Å; I86-R89 WeakPolarHBondContact O-CB 3.33Å; I86-R89 PolarHBondContact O-N 3.43Å; I86-R89 VanDerWaalsContact O-N 3.1Å; I86-R90 PolarHBondContact O-N 2.72Å; I86-G91 VanDerWaalsContact CG2-C 3.43Å; I86-G91 WeakPolarHBondContact O-CA 3.49Å; I86-G91 PolarHBondContact O-N 3.37Å; I86-I150 HydrophobicContact CD1-CD1 3.83Å; I86-I150 HydrophobicContact CD1-CG1 4.35Å; I86-I150 HydrophobicContact CD1-CG2 4.23Å; I86-I150 HydrophobicContact CG1-CG2 4.12Å; I86-I150 HydrophobicContact CG2-CG2 3.91Å; I86-V158 HydrophobicContact CG1-CG1 4.07Å; I86-V158 HydrophobicContact CG1-CG2 4.35Å
87R97.3Very high97.3Very high141 Ų14150.4 Ų50.453%0.53225%0.247SC..Hα-helixtrans-66.9-35.8-178.9-170.3-175.966.2177.32112.9Y83 E84 R89 R90Y83-R87 VanDerWaalsContact O-CB 3.32Å; Y83-R87 WeakPolarHBondContact O-CB 3.48Å; Y83-R87 PolarHBondContact O-N 3.41Å; E84-R87 PolarHBondContact O-N 2.87Å; E84-R87 VanDerWaalsContact O-N 3.12Å; R87-R89 PolarHBondContact O-N 2.62Å; R87-R89 VanDerWaalsContact O-N 3.16Å; R87-R90 WeakPolarHBondContact O-CA 3.35Å; R87-R90 PolarHBondContact O-N 2.82Å
88D97.4Very high97.3Very high117 Ų11752.6 Ų52.663%0.62626%0.263SS*.Hα-helixtrans-61.3-23.2174.4-64.9-17.9000111.7E84 I86E84-D88 PolarHBondContact O-N 3.1Å; I86-D88 PolarHBondContact O-N 3.36Å
89R97.1Very high97.3Very high88 Ų8854 Ų5433%0.33227%0.273SS..THydrogen-bonded Turntrans-9716.5172.1-65.4167178.6682.1113.1R85 I86 R87 G91 C153 T161R85-R89 PolarHBondContact O-NH1 3.21Å; I86-R89 CarbonylContact O-C 3.57Å; I86-R89 WeakPolarHBondContact O-CA 3.31Å; I86-R89 WeakPolarHBondContact O-CB 3.33Å; I86-R89 PolarHBondContact O-N 3.43Å; I86-R89 VanDerWaalsContact O-N 3.1Å; R87-R89 PolarHBondContact O-N 2.62Å; R87-R89 VanDerWaalsContact O-N 3.16Å; R89-G91 PolarHBondContact O-N 2.83Å; R89-G91 VanDerWaalsContact O-N 3.12Å; R89-C153 HydrophobicContact CB-CB 3.81Å; R89-T161 VanDerWaalsContact NH2-CG2 3.27Å
90R96.8Very high97.3Very high219 Ų21955.4 Ų55.483%0.82628%0.281SS*.THydrogen-bonded Turntrans56.623.5-176.6-54179.8179-176.8-1113.9I86 R87 N152I86-R90 PolarHBondContact O-N 2.72Å; R87-R90 WeakPolarHBondContact O-CA 3.35Å; R87-R90 PolarHBondContact O-N 2.82Å; R90-N152 PolarHBondContact O-ND2 3.06Å; R90-N152 VanDerWaalsContact O-ND2 3.11Å
91G97.2Very high97.3Very high10 Ų1060.5 Ų60.510%0.10330%0.3CS..  trans-85.6165.7176.500000113.3I86 R89 T151I86-G91 VanDerWaalsContact CG2-C 3.43Å; I86-G91 WeakPolarHBondContact O-CA 3.49Å; I86-G91 PolarHBondContact O-N 3.37Å; R89-G91 PolarHBondContact O-N 2.83Å; R89-G91 VanDerWaalsContact O-N 3.12Å; G91-T151 WeakPolarHBondContact CA-O 3.29Å
92G97Very high97.3Very high16 Ų1664.7 Ų64.717%0.16532%0.315CS..EExtended strand (participates in β ladder)trans-130.6171.3171.200000111I150 T151G92-I150 CarbonylContact O-C 3.47Å; G92-I150 VanDerWaalsContact O-CA 3.28Å; G92-I150 WeakPolarHBondContact O-CA 3.47Å; G92-T151 WeakPolarHBondContact CA-OG1 3.32Å; G92-T151 PolarHBondContact N-O 2.59Å; G92-T151 PolarHBondContact N-OG1 2.92Å; G92-T151 VanDerWaalsContact N-OG1 3.07Å; G92-T151 PolarHBondContact O-N 3.46Å; G92-T151 PolarHBondContact O-OG1 2.75Å
93A97.1Very high97.3Very high27 Ų2771.5 Ų71.522%0.22334%0.341CS..EExtended strand (participates in β ladder)trans-126.3129.4174.300000109Y83 N149 I150Y83-A93 HydrophobicContact CD2-CB 4.42Å; Y83-A93 HydrophobicContact CE2-CB 4.37Å; A93-N149 WeakPolarHBondContact CA-O 3.33Å; A93-I150 HydrophobicContact CB-CD1 3.73Å
94V97.1Very high97.3Very high72 Ų7273.8 Ų73.844%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-131.7142.5178.6-59.60000110.5G96 Q148 N149 T151V94-G96 PolarHBondContact O-N 3.09Å; V94-G96 VanDerWaalsContact O-N 3.13Å; V94-Q148 CarbonylContact O-C 3.56Å; V94-N149 HydrophobicContact CG2-CB 3.79Å; V94-N149 PolarHBondContact N-O 2.8Å; V94-N149 PolarHBondContact O-N 2.84Å; V94-T151 HydrophobicContact CG2-CG2 4.39Å
95Q97.7Very high97.3Very high71 Ų7175.3 Ų75.333%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-66.6112.4174.2-175.676.254.500109.4A97 S146 K147Q95-A97 PolarHBondContact NE2-O 3.37Å; Q95-S146 PolarHBondContact NE2-OG 2.87Å; Q95-K147 PolarHBondContact NE2-O 3.49Å
96G96.7Very high97.3Very high40 Ų4071.7 Ų71.741%0.41235%0.347SS..EExtended strand (participates in β ladder)trans-87.9-40.6177.100000113.2V94 K147 N149V94-G96 PolarHBondContact O-N 3.09Å; V94-G96 VanDerWaalsContact O-N 3.13Å; G96-K147 PolarHBondContact N-O 2.9Å; G96-N149 VanDerWaalsContact CA-ND2 3.27Å; G96-N149 WeakPolarHBondContact CA-ND2 3.2Å
97A97.4Very high97.2Very high24 Ų2473.4 Ų73.420%0.19836%0.358CS..EExtended strand (participates in β ladder)trans-161.1148.9176.500000110.2Q95 K147 W178 I182Q95-A97 PolarHBondContact NE2-O 3.37Å; A97-K147 HydrophobicContact CB-CB 4.2Å; A97-K147 PolarHBondContact N-O 3.48Å; A97-K147 PolarHBondContact O-N 3.46Å; A97-W178 HydrophobicContact CB-CH2 4.07Å; A97-W178 HydrophobicContact CB-CZ2 3.72Å; A97-W178 WeakPolarHBondContact O-CH2 3.5Å; A97-I182 HydrophobicContact CB-CD1 3.64Å
98S97.5Very high97.2Very high54 Ų5468.3 Ų68.338%0.37834%0.34SS..EExtended strand (participates in β ladder)trans-133.9142.1172.355.20000110.2M145S98-M145 CarbonylContact C-O 3.57Å; S98-M145 VanDerWaalsContact CA-O 3.3Å; S98-M145 WeakPolarHBondContact CA-O 3.24Å
99S97.4Very high97.1Very high34 Ų3469 Ų6924%0.23834%0.338CS..EExtended strand (participates in β ladder)trans-123.9127.1169.4178.10000108A144 M145S99-A144 CarbonylContact O-C 3.59Å; S99-A144 WeakPolarHBondContact O-CA 3.39Å; S99-M145 PolarHBondContact N-O 3.3Å; S99-M145 PolarHBondContact O-N 3.45Å
100V97.8Very high97.1Very high31 Ų3168 Ų6819%0.18834%0.337CS..EExtended strand (participates in β ladder)trans-124.1127.3179.9-171.80000109.1L66 L69 Y102 A142 V143 A144L66-V100 HydrophobicContact CD2-CG2 3.49Å; L66-V100 VanDerWaalsContact CD2-CG2 3.49Å; L66-V100 HydrophobicContact CG-CG2 4.32Å; L69-V100 HydrophobicContact CD1-CG2 4.49Å; V100-Y102 HydrophobicContact CB-CE2 4.14Å; V100-Y102 HydrophobicContact CG1-CD1 4.22Å; V100-Y102 HydrophobicContact CG1-CD2 4.38Å; V100-Y102 HydrophobicContact CG1-CE1 3.67Å; V100-Y102 HydrophobicContact CG1-CE2 3.86Å; V100-Y102 VanDerWaalsContact CG1-CZ 3.47Å; V100-A142 HydrophobicContact CG1-CB 4.46Å; V100-V143 WeakPolarHBondContact CA-O 3.3Å; V100-A144 HydrophobicContact CB-CB 4.48Å; V100-A144 HydrophobicContact CG1-CB 4.39Å; V100-A144 HydrophobicContact CG2-CB 3.9Å
101R97.7Very high97.2Very high113 Ų11360.3 Ų60.343%0.42632%0.315SS..EExtended strand (participates in β ladder)trans-107.2121.4169.8-58.5-165-161.290.29.2109.6A142 V143 E174R101-A142 CarbonylContact O-C 3.53Å; R101-A142 VanDerWaalsContact O-CA 3.23Å; R101-A142 WeakPolarHBondContact O-CA 3.45Å; R101-V143 PolarHBondContact N-O 3.31Å; R101-V143 PolarHBondContact O-N 2.88Å; R101-E174 IonicContact CZ-OE1 3.94Å; R101-E174 VanDerWaalsContact NH1-CD 3.26Å; R101-E174 IonicContact NH1-OE1 3.7Å; R101-E174 PolarHBondContact NH1-OE1 3.3Å; R101-E174 IonicContact NH1-OE2 3.06Å; R101-E174 PolarHBondContact NH1-OE2 3.19Å; R101-E174 IonicContact NH2-OE1 2.63Å; R101-E174 PolarHBondContact NH2-OE1 2.79Å; R101-E174 IonicContact NH2-OE2 2.66Å
102Y97.6Very high97.3Very high94 Ų9459.9 Ų59.937%0.36931%0.311SS..EExtended strand (participates in β ladder)trans-94125.9175.2-55.9-82000109.3N62 Y65 V100 A142N62-Y102 PolarHBondContact O-OH 3.38Å; Y65-Y102 HydrophobicContact CD1-CD1 4.48Å; Y65-Y102 HydrophobicContact CD1-CE1 4.11Å; Y65-Y102 HydrophobicContact CD2-CD1 4.3Å; Y65-Y102 AromaticContact CD2-CE1 3.65Å; Y65-Y102 HydrophobicContact CD2-CE1 3.65Å; Y65-Y102 HydrophobicContact CE1-CD1 4.48Å; Y65-Y102 HydrophobicContact CE2-CD1 4.29Å; Y65-Y102 HydrophobicContact CE2-CE1 4.09Å; Y65-Y102 HydrophobicContact CG-CD1 4.39Å; Y65-Y102 AromaticContact CG-CE1 3.66Å; Y65-Y102 HydrophobicContact CG-CE1 3.66Å; V100-Y102 HydrophobicContact CB-CE2 4.14Å; V100-Y102 HydrophobicContact CG1-CD1 4.22Å; V100-Y102 HydrophobicContact CG1-CD2 4.38Å; V100-Y102 HydrophobicContact CG1-CE1 3.67Å; V100-Y102 HydrophobicContact CG1-CE2 3.86Å; V100-Y102 VanDerWaalsContact CG1-CZ 3.47Å; Y102-A142 HydrophobicContact CD1-CB 4.06Å
103R97.2Very high97.3Very high144 Ų14461.7 Ų61.754%0.54331%0.314SS..SBendtrans-99.6-50.1176.6-63.4-175.564.5-134.87.8111.1F139 V140 R141R103-F139 HydrophobicContact CB-CE1 4.06Å; R103-F139 VanDerWaalsContact NH1-CE1 3.35Å; R103-V140 WeakPolarHBondContact CD-O 3.24Å; R103-V140 PolarHBondContact NH1-O 3.16Å; R103-R141 PolarHBondContact N-O 2.89Å
104R96.3Very high97.4Very high145 Ų14560.5 Ų60.555%0.54730%0.304SS..SBendtrans-147.2150.3176-68.9-175.4179.4176.9-2.3109.1F139 R141R104-F139 HydrophobicContact CB-CD1 4.48Å; R104-F139 HydrophobicContact CB-CE1 4Å; R104-F139 HydrophobicContact CG-CE1 3.75Å; R104-F139 HydrophobicContact CG-CZ 4.14Å; R104-R141 PolarHBondContact N-O 2.99Å; R104-R141 WeakPolarHBondContact O-CB 3.36Å; R104-R141 VanDerWaalsContact O-O 3.13Å
105T96.7Very high97.5Very high64 Ų6459.8 Ų59.839%0.39330%0.296SS..  trans-71.6154.217860.70000111.3H59 R141H59-T105 HydrophobicContact CB-CG2 4.36Å; T105-R141 PolarHBondContact O-NH1 3.27Å
106I97.6Very high97.6Very high0 Ų056.5 Ų56.50%028%0.28CS..  trans-94.1113.4170.2-64.4166.1000107.2C48 H59 M60 Y65 H110 Y112 F132 T134 R141C48-I106 HydrophobicContact CB-CG2 3.86Å; H59-I106 CarbonylContact C-O 3.5Å; H59-I106 VanDerWaalsContact CA-O 3.24Å; H59-I106 WeakPolarHBondContact CA-O 3.41Å; H59-I106 VanDerWaalsContact CB-O 3.29Å; H59-I106 WeakPolarHBondContact CB-O 3.4Å; M60-I106 HydrophobicContact CB-CB 4.2Å; M60-I106 PolarHBondContact N-O 3.49Å; M60-I106 HydrophobicContact SD-CD1 4.2Å; Y65-I106 HydrophobicContact CE1-CD1 3.63Å; Y65-I106 HydrophobicContact CE1-CG1 4.23Å; Y65-I106 WeakPolarHBondContact OH-CG1 3.31Å; Y65-I106 PolarHBondContact OH-N 3.22Å; I106-H110 HydrophobicContact CG2-CB 4.25Å; I106-Y112 HydrophobicContact CD1-CD1 4.21Å; I106-Y112 HydrophobicContact CD1-CG 4.14Å; I106-Y112 HydrophobicContact CG2-CD1 4.07Å; I106-F132 HydrophobicContact CD1-CB 4.17Å; I106-F132 HydrophobicContact CD1-CD1 3.82Å; I106-F132 HydrophobicContact CD1-CG 4.35Å; I106-T134 HydrophobicContact CG1-CG2 4.16Å; I106-T134 HydrophobicContact CG2-CG2 4.24Å; I106-R141 HydrophobicContact CD1-CB 4.31Å; I106-R141 HydrophobicContact CG1-CB 3.85Å; I106-R141 HydrophobicContact CG1-CG 3.78Å
107P96.4Very high97.6Very high37 Ų3759.1 Ų59.124%0.2428%0.281CS..BIsolated β-bridgetrans-65.4157.6-179.5-13.626.8000111.9C48 R58 H110C48-P107 WeakPolarHBondContact CB-O 3.49Å; R58-P107 WeakPolarHBondContact O-CA 3.43Å; P107-H110 WeakPolarHBondContact O-CB 3.35Å; P107-H110 PolarHBondContact O-N 3.38Å
108I97Very high97.7Very high34 Ų3458.2 Ų58.217%0.17427%0.272CS..THydrogen-bonded Turntrans-55.4145.5174-164.9-179.1000110.9V53 I57 R58 H110V53-I108 HydrophobicContact CG1-CB 3.86Å; V53-I108 HydrophobicContact CG1-CD1 3.65Å; V53-I108 HydrophobicContact CG1-CG1 3.6Å; I57-I108 HydrophobicContact CG2-CD1 4.01Å; R58-I108 PolarHBondContact O-N 3.4Å; I108-H110 PolarHBondContact O-N 3.36Å; I108-H110 VanDerWaalsContact O-N 3.1Å; I108-H110 PolarHBondContact O-ND1 3.02Å
109F96.2Very high97.7Very high131 Ų13156.6 Ų56.658%0.57526%0.259SS*.THydrogen-bonded Turntrans60.215.7-179-49.9-48.3000115.5L47 C48L47-F109 WeakPolarHBondContact CD1-O 3.31Å; C48-F109 VanDerWaalsContact O-CA 3.29Å; C48-F109 WeakPolarHBondContact O-CA 3.48Å; C48-F109 PolarHBondContact O-N 3.22Å
110H97.3Very high97.7Very high69 Ų6955.9 Ų55.932%0.31925%0.252SS..  trans-91.7128.1173.2-73.456.1000111C48 I106 P107 I108C48-H110 PolarHBondContact N-O 3.46Å; I106-H110 HydrophobicContact CG2-CB 4.25Å; P107-H110 WeakPolarHBondContact O-CB 3.35Å; P107-H110 PolarHBondContact O-N 3.38Å; I108-H110 PolarHBondContact O-N 3.36Å; I108-H110 VanDerWaalsContact O-N 3.1Å; I108-H110 PolarHBondContact O-ND1 3.02Å
111P98.3Very high97.7Very high56 Ų5654.9 Ų54.936%0.36424%0.244SC..EExtended strand (participates in β ladder)trans-75.1143.9173.531.3-34.2000110.6G46 L47 L135G46-P111 WeakPolarHBondContact O-CA 3.25Å; L47-P111 HydrophobicContact CD1-CB 4.35Å; P111-L135 HydrophobicContact CB-CD1 3.89Å; P111-L135 HydrophobicContact CB-CG 4.27Å; P111-L135 HydrophobicContact CG-CB 4.28Å; P111-L135 HydrophobicContact CG-CD1 4.25Å; P111-L135 HydrophobicContact CG-CG 4.46Å; P111-L135 PolarHBondContact O-N 3.2Å
112Y98.6Very high97.7Very high1 Ų150.9 Ų50.90%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-139.1164.6177.561.3-90.4000110.4Y45 G46 C48 M60 E68 I106 I114 F132 I133Y45-Y112 WeakPolarHBondContact CA-O 3.47Å; G46-Y112 PolarHBondContact N-O 2.72Å; G46-Y112 PolarHBondContact O-N 2.89Å; G46-Y112 VanDerWaalsContact O-O 3.12Å; C48-Y112 HydrophobicContact CB-CE1 4.44Å; M60-Y112 HydrophobicContact CE-CD1 4.37Å; M60-Y112 HydrophobicContact CE-CE1 3.48Å; M60-Y112 VanDerWaalsContact CE-CE1 3.48Å; E68-Y112 WeakPolarHBondContact CG-OH 3.38Å; E68-Y112 PolarHBondContact OE2-OH 2.98Å; I106-Y112 HydrophobicContact CD1-CD1 4.21Å; I106-Y112 HydrophobicContact CD1-CG 4.14Å; I106-Y112 HydrophobicContact CG2-CD1 4.07Å; Y112-I114 HydrophobicContact CD2-CG1 4.04Å; Y112-I114 HydrophobicContact CE2-CD1 4.01Å; Y112-I114 HydrophobicContact CE2-CG1 3.96Å; Y112-F132 AromaticContact CD2-CD1 3.84Å; Y112-F132 HydrophobicContact CD2-CD1 3.84Å; Y112-F132 HydrophobicContact CD2-CE1 4.25Å; Y112-F132 AromaticContact CE2-CD1 3.97Å; Y112-F132 HydrophobicContact CE2-CD1 3.97Å; Y112-F132 AromaticContact CE2-CE1 3.89Å; Y112-F132 HydrophobicContact CE2-CE1 3.89Å; Y112-I133 CarbonylContact C-O 3.48Å; Y112-I133 VanDerWaalsContact CA-O 3.23Å; Y112-I133 WeakPolarHBondContact CA-O 3.47Å; Y112-I133 WeakPolarHBondContact CB-O 3.46Å
113K98.7Very high97.7Very high55 Ų5549.7 Ų49.724%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-121.3148.6167.365.8-176.4179.6-176.70109.9T43 I44 Y45 I133 L135T43-K113 HydrophobicContact CG2-CB 3.8Å; T43-K113 HydrophobicContact CG2-CD 3.99Å; T43-K113 HydrophobicContact CG2-CG 4.29Å; I44-K113 CarbonylContact O-C 3.59Å; I44-K113 VanDerWaalsContact O-CA 3.24Å; I44-K113 WeakPolarHBondContact O-CA 3.47Å; Y45-K113 HydrophobicContact CD1-CB 3.82Å; Y45-K113 HydrophobicContact CE1-CB 3.89Å; Y45-K113 HydrophobicContact CE1-CD 4.37Å; Y45-K113 HydrophobicContact CG-CB 4.45Å; K113-I133 HydrophobicContact CG-CB 3.9Å; K113-I133 PolarHBondContact N-O 2.65Å; K113-I133 PolarHBondContact O-N 3.39Å; K113-L135 HydrophobicContact CB-CD2 4.04Å; K113-L135 HydrophobicContact CD-CD2 3.96Å; K113-L135 HydrophobicContact CG-CD2 3.9Å
114I98.8Very high97.7Very high2 Ų249.4 Ų49.41%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-110.3119.9171-53.5171.3000107.5T43 I44 E68 L69 A72 Y112 Q130 Q131 F132T43-I114 WeakPolarHBondContact CA-O 3.47Å; I44-I114 HydrophobicContact CG2-CB 3.88Å; I44-I114 HydrophobicContact CG2-CD1 4.4Å; I44-I114 HydrophobicContact CG2-CG1 4.46Å; I44-I114 PolarHBondContact N-O 3.45Å; I44-I114 VanDerWaalsContact N-O 3.08Å; I44-I114 PolarHBondContact O-N 2.87Å; E68-I114 HydrophobicContact CB-CD1 3.82Å; L69-I114 HydrophobicContact CD2-CG2 4.19Å; A72-I114 HydrophobicContact CB-CB 4.05Å; A72-I114 HydrophobicContact CB-CD1 4.1Å; A72-I114 HydrophobicContact CB-CG2 3.63Å; Y112-I114 HydrophobicContact CD2-CG1 4.04Å; Y112-I114 HydrophobicContact CE2-CD1 4.01Å; Y112-I114 HydrophobicContact CE2-CG1 3.96Å; I114-Q130 HydrophobicContact CG2-CB 4.34Å; I114-Q131 VanDerWaalsContact CA-O 3.27Å; I114-Q131 WeakPolarHBondContact CA-O 3.49Å; I114-F132 HydrophobicContact CD1-CD1 4.08Å; I114-F132 HydrophobicContact CD1-CE1 3.41Å; I114-F132 VanDerWaalsContact CD1-CE1 3.41Å; I114-F132 HydrophobicContact CD1-CE2 4.39Å; I114-F132 HydrophobicContact CD1-CZ 3.58Å; I114-F132 HydrophobicContact CG1-CD1 3.77Å; I114-F132 HydrophobicContact CG1-CE1 3.65Å; I114-F132 HydrophobicContact CG1-CG 4.26Å; I114-F132 HydrophobicContact CG1-CZ 4.04Å
115Q98.8Very high97.8Very high57 Ų5742.5 Ų42.527%0.26621%0.208SC..EExtended strand (participates in β ladder)trans-95.1124171.9-71.8-171.1-29.500109.1T41 T42 T43 Q130 Q131 I133T41-Q115 HydrophobicContact CG2-CB 3.74Å; T41-Q115 HydrophobicContact CG2-CG 4.15Å; T42-Q115 CarbonylContact O-C 3.56Å; T42-Q115 VanDerWaalsContact O-CA 3.3Å; T42-Q115 WeakPolarHBondContact O-CA 3.44Å; T43-Q115 HydrophobicContact CG2-CG 4.49Å; Q115-Q130 CarbonylContact O-C 3.49Å; Q115-Q130 WeakPolarHBondContact O-CA 3.3Å; Q115-Q131 PolarHBondContact N-O 3.27Å; Q115-Q131 PolarHBondContact O-N 2.86Å; Q115-I133 HydrophobicContact CG-CD1 4.03Å
116T98.8Very high97.9Very high1 Ų139.5 Ų39.51%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-118.6127.4179.7-61.70000110T41 T42 F76 L128 E129 Q130T41-T116 WeakPolarHBondContact CA-O 3.5Å; T42-T116 PolarHBondContact N-O 3.39Å; T42-T116 PolarHBondContact O-N 3.1Å; T42-T116 PolarHBondContact OG1-O 3.24Å; F76-T116 HydrophobicContact CB-CG2 3.86Å; F76-T116 HydrophobicContact CD2-CG2 4.04Å; F76-T116 HydrophobicContact CG-CG2 3.95Å; T116-L128 HydrophobicContact CG2-CB 4.45Å; T116-L128 HydrophobicContact CG2-CD1 4.22Å; T116-E129 WeakPolarHBondContact CA-O 3.41Å; T116-Q130 HydrophobicContact CG2-CG 3.88Å; T116-Q130 PolarHBondContact OG1-NE2 3.48Å; T116-Q130 VanDerWaalsContact OG1-NE2 3.1Å
117K98.4Very high97.9Very high95 Ų9539.7 Ų39.741%0.41319%0.19SC..EExtended strand (participates in β ladder)trans-132.7135.8-178.6-175.1179.2-179-177.60111.1I119 L128 E129K117-I119 HydrophobicContact CD-CG2 4.5Å; K117-I119 HydrophobicContact CG-CG2 4.41Å; K117-I119 PolarHBondContact O-N 3.28Å; K117-L128 CarbonylContact O-C 3.55Å; K117-L128 VanDerWaalsContact O-CA 3.28Å; K117-L128 WeakPolarHBondContact O-CA 3.37Å; K117-E129 PolarHBondContact N-O 3.2Å; K117-E129 PolarHBondContact O-N 3.26Å
118L98.4Very high98Very high5 Ų538 Ų383%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-73.4111.7165.6177.765.2000109.2V38 F76 W120 W121 I126 L128 L159V38-L118 HydrophobicContact CG1-CD2 4.45Å; V38-L118 HydrophobicContact CG2-CD2 3.85Å; V38-L118 WeakPolarHBondContact O-CB 3.23Å; F76-L118 HydrophobicContact CZ-CB 3.91Å; L118-W120 WeakPolarHBondContact CD1-O 3.43Å; L118-W121 HydrophobicContact CD1-CE3 4.19Å; L118-W121 HydrophobicContact CD2-CE3 3.72Å; L118-W121 HydrophobicContact CD2-CZ3 3.86Å; L118-W121 HydrophobicContact CG-CE3 3.85Å; L118-W121 HydrophobicContact CG-CZ3 4.1Å; L118-I126 HydrophobicContact CD1-CB 3.8Å; L118-I126 HydrophobicContact CD1-CG2 4.34Å; L118-L128 HydrophobicContact CB-CD2 4.03Å; L118-L128 HydrophobicContact CD1-CD2 3.95Å; L118-L159 HydrophobicContact CD2-CD1 4.47Å; L118-L159 HydrophobicContact CD2-CD2 4.22Å
119I97.7Very high98.1Very high20 Ų2038.7 Ų38.710%0.10318%0.182CC..EExtended strand (participates in β ladder)trans-95.9-30.9-176.556.3163.5000112.7K117 Y127 E129 P169 L175K117-I119 HydrophobicContact CD-CG2 4.5Å; K117-I119 HydrophobicContact CG-CG2 4.41Å; K117-I119 PolarHBondContact O-N 3.28Å; I119-Y127 WeakPolarHBondContact CG1-O 3.47Å; I119-Y127 PolarHBondContact N-O 2.91Å; I119-E129 HydrophobicContact CD1-CB 4.27Å; I119-E129 HydrophobicContact CG2-CB 3.54Å; I119-P169 WeakPolarHBondContact O-CG 3.28Å; I119-L175 HydrophobicContact CD1-CB 4.48Å; I119-L175 HydrophobicContact CD1-CD1 4.49Å; I119-L175 HydrophobicContact CD1-CD2 4.07Å; I119-L175 HydrophobicContact CG1-CD2 4.45Å
120W98Very high98.2Very high20 Ų2032.4 Ų32.48%0.07615%0.154CC..EExtended strand (participates in β ladder)trans-166.5169.8-179.1-162.171.5000111.2L118 D122 Y127 K171 L175 L179L118-W120 WeakPolarHBondContact CD1-O 3.43Å; W120-D122 HydrophobicContact CH2-CB 3.79Å; W120-D122 HydrophobicContact CZ3-CB 3.77Å; W120-Y127 HydrophobicContact CB-CD2 4.39Å; W120-Y127 HydrophobicContact CD2-CD2 4.44Å; W120-Y127 AromaticContact CE3-CD2 3.48Å; W120-Y127 HydrophobicContact CE3-CD2 3.48Å; W120-Y127 VanDerWaalsContact CE3-CD2 3.48Å; W120-Y127 AromaticContact CE3-CE2 3.45Å; W120-Y127 HydrophobicContact CE3-CE2 3.45Å; W120-Y127 VanDerWaalsContact CE3-CE2 3.45Å; W120-Y127 HydrophobicContact CE3-CG 4.44Å; W120-Y127 HydrophobicContact CZ3-CD2 4.13Å; W120-Y127 AromaticContact CZ3-CE2 3.6Å; W120-Y127 HydrophobicContact CZ3-CE2 3.6Å; W120-Y127 PolarHBondContact N-O 3.45Å; W120-Y127 WeakPolarHBondContact O-CB 3.28Å; W120-Y127 WeakPolarHBondContact O-CD2 3.19Å; W120-Y127 PolarHBondContact O-N 3.37Å; W120-K171 HydrophobicContact CD2-CB 4.33Å; W120-K171 HydrophobicContact CD2-CG 4.11Å; W120-K171 HydrophobicContact CG-CB 4.37Å; W120-K171 HydrophobicContact CG-CG 4.33Å; W120-K171 VanDerWaalsContact CZ3-CE 3.45Å; W120-L175 HydrophobicContact CB-CD2 3.38Å; W120-L175 HydrophobicContact CD2-CD2 4.21Å; W120-L175 HydrophobicContact CE3-CD2 4.04Å; W120-L175 HydrophobicContact CG-CD2 3.97Å; W120-L179 HydrophobicContact CZ3-CD1 4.49Å
121W98Very high98.3Very high9 Ų931.4 Ų31.43%0.03415%0.15CC..EExtended strand (participates in β ladder)trans-159.3149.8175.858.592000112.2L118 A125 I126 V155 L159 T165 R168 P169L118-W121 HydrophobicContact CD1-CE3 4.19Å; L118-W121 HydrophobicContact CD2-CE3 3.72Å; L118-W121 HydrophobicContact CD2-CZ3 3.86Å; L118-W121 HydrophobicContact CG-CE3 3.85Å; L118-W121 HydrophobicContact CG-CZ3 4.1Å; W121-A125 WeakPolarHBondContact CA-O 3.47Å; W121-I126 HydrophobicContact CB-CG2 4.2Å; W121-V155 HydrophobicContact CB-CG1 4.01Å; W121-L159 HydrophobicContact CB-CD1 3.68Å; W121-L159 HydrophobicContact CD2-CD1 3.41Å; W121-L159 VanDerWaalsContact CD2-CD1 3.41Å; W121-L159 HydrophobicContact CE3-CD1 4.11Å; W121-L159 HydrophobicContact CG-CD1 3.18Å; W121-T165 HydrophobicContact CH2-CG2 4.27Å; W121-T165 HydrophobicContact CZ2-CG2 4.36Å; W121-R168 HydrophobicContact CD2-CG 4.29Å; W121-R168 HydrophobicContact CH2-CB 4.48Å; W121-R168 HydrophobicContact CH2-CG 4.23Å; W121-R168 HydrophobicContact CZ2-CB 3.88Å; W121-R168 HydrophobicContact CZ2-CG 3.73Å; W121-R168 PolarHBondContact O-NH1 3.04Å; W121-P169 HydrophobicContact CH2-CG 4.31Å; W121-P169 HydrophobicContact CZ3-CG 4.01Å
122D97Very high98.3Very high30 Ų3028.7 Ų28.716%0.1613%0.132CC..  trans-114.2-160.8168.358.844.9000110.6W120 K124 A125 Y127 V155W120-D122 HydrophobicContact CH2-CB 3.79Å; W120-D122 HydrophobicContact CZ3-CB 3.77Å; D122-K124 VanDerWaalsContact C-N 3.32Å; D122-K124 WeakPolarHBondContact OD1-CA 3.38Å; D122-K124 PolarHBondContact OD1-N 3.35Å; D122-A125 PolarHBondContact N-O 2.62Å; D122-A125 PolarHBondContact OD1-N 3.19Å; D122-Y127 WeakPolarHBondContact OD2-CE2 3.44Å; D122-Y127 PolarHBondContact OD2-OH 3.1Å; D122-V155 WeakPolarHBondContact O-CB 3.16Å; D122-V155 VanDerWaalsContact O-CG1 3.3Å; D122-V155 WeakPolarHBondContact O-CG1 3.45Å
123D97.4Very high98.3Very high69 Ų6929.2 Ų29.237%0.36914%0.135SC..SBendtrans-75.8-17.9178.562.2-49.5000113.8V155 L156D123-V155 PolarHBondContact O-N 2.87Å; D123-L156 HydrophobicContact CB-CD1 4.18Å; D123-L156 HydrophobicContact CB-CG 4.4Å
124K97.7Very high98.3Very high138 Ų13826.6 Ų26.660%0.612%0.124SC*.SBendtrans-118.8-21.8-171.6-65.8174.4-173.4176.60113.8D122 I150D122-K124 VanDerWaalsContact C-N 3.32Å; D122-K124 WeakPolarHBondContact OD1-CA 3.38Å; D122-K124 PolarHBondContact OD1-N 3.35Å; K124-I150 PolarHBondContact O-N 3.21Å
125A98.2Very high98.3Very high0 Ų030.3 Ų30.30%014%0.143CC..EExtended strand (participates in β ladder)trans-146.2149.7-172.900000113.3W121 D122 Y127 K147 Q148W121-A125 WeakPolarHBondContact CA-O 3.47Å; D122-A125 PolarHBondContact N-O 2.62Å; D122-A125 PolarHBondContact OD1-N 3.19Å; A125-Y127 HydrophobicContact CB-CE2 4.15Å; A125-K147 HydrophobicContact CB-CG 4.04Å; A125-Q148 CarbonylContact C-O 3.52Å; A125-Q148 WeakPolarHBondContact CA-O 3.48Å; A125-Q148 VanDerWaalsContact CB-O 3.31Å; A125-Q148 WeakPolarHBondContact CB-O 3.41Å
126I98.4Very high98.2Very high1 Ų131.7 Ų31.71%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-103.2146.8164.965178000109.5Y77 L82 L118 W121 Q148 I150 V155 L159Y77-I126 HydrophobicContact CE1-CD1 3.84Å; L82-I126 HydrophobicContact CD2-CD1 3.53Å; L118-I126 HydrophobicContact CD1-CB 3.8Å; L118-I126 HydrophobicContact CD1-CG2 4.34Å; W121-I126 HydrophobicContact CB-CG2 4.2Å; I126-Q148 HydrophobicContact CD1-CB 4.23Å; I126-Q148 HydrophobicContact CG1-CB 3.61Å; I126-Q148 HydrophobicContact CG1-CG 4.24Å; I126-Q148 PolarHBondContact N-O 3.48Å; I126-Q148 PolarHBondContact O-N 3.05Å; I126-I150 HydrophobicContact CD1-CD1 4.48Å; I126-I150 HydrophobicContact CG1-CD1 4.41Å; I126-V155 HydrophobicContact CG2-CG1 3.55Å; I126-L159 HydrophobicContact CG2-CD1 4.25Å
127Y98.5Very high98.2Very high4 Ų435.4 Ų35.42%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-117.8119-178.1-58.7-85.9000109.8I119 W120 D122 A125 S146 K147 L175 W178 L179I119-Y127 WeakPolarHBondContact CG1-O 3.47Å; I119-Y127 PolarHBondContact N-O 2.91Å; W120-Y127 HydrophobicContact CB-CD2 4.39Å; W120-Y127 HydrophobicContact CD2-CD2 4.44Å; W120-Y127 AromaticContact CE3-CD2 3.48Å; W120-Y127 HydrophobicContact CE3-CD2 3.48Å; W120-Y127 VanDerWaalsContact CE3-CD2 3.48Å; W120-Y127 AromaticContact CE3-CE2 3.45Å; W120-Y127 HydrophobicContact CE3-CE2 3.45Å; W120-Y127 VanDerWaalsContact CE3-CE2 3.45Å; W120-Y127 HydrophobicContact CE3-CG 4.44Å; W120-Y127 HydrophobicContact CZ3-CD2 4.13Å; W120-Y127 AromaticContact CZ3-CE2 3.6Å; W120-Y127 HydrophobicContact CZ3-CE2 3.6Å; W120-Y127 PolarHBondContact N-O 3.45Å; W120-Y127 WeakPolarHBondContact O-CB 3.28Å; W120-Y127 WeakPolarHBondContact O-CD2 3.19Å; W120-Y127 PolarHBondContact O-N 3.37Å; D122-Y127 WeakPolarHBondContact OD2-CE2 3.44Å; D122-Y127 PolarHBondContact OD2-OH 3.1Å; A125-Y127 HydrophobicContact CB-CE2 4.15Å; Y127-S146 WeakPolarHBondContact CA-O 3.47Å; Y127-K147 HydrophobicContact CD1-CB 3.96Å; Y127-K147 HydrophobicContact CD1-CG 4.16Å; Y127-K147 HydrophobicContact CE1-CB 3.75Å; Y127-K147 HydrophobicContact CE1-CD 3.83Å; Y127-K147 HydrophobicContact CE1-CG 3.51Å; Y127-L175 HydrophobicContact CD1-CD1 3.74Å; Y127-L175 HydrophobicContact CD1-CD2 4.49Å; Y127-L175 HydrophobicContact CD2-CD2 4.38Å; Y127-L175 HydrophobicContact CE1-CD1 4.4Å; Y127-L175 HydrophobicContact CG-CD1 4.05Å; Y127-L175 HydrophobicContact CG-CD2 4Å; Y127-W178 HydrophobicContact CD1-CZ3 4.38Å; Y127-L179 HydrophobicContact CD1-CD2 4.35Å; Y127-L179 HydrophobicContact CE1-CD1 4.06Å; Y127-L179 HydrophobicContact CE1-CD2 3.47Å; Y127-L179 VanDerWaalsContact CE1-CD2 3.47Å; Y127-L179 HydrophobicContact CE1-CG 4.32Å
128L98.6Very high98.1Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-109137.4-178.9-55.4177.4000109.8R73 F76 T116 K117 L118 Q130 M145 S146 Q148R73-L128 HydrophobicContact CB-CD1 4.49Å; R73-L128 HydrophobicContact CG-CD1 3.67Å; F76-L128 HydrophobicContact CD1-CD2 4.35Å; F76-L128 HydrophobicContact CE1-CD2 3.99Å; F76-L128 HydrophobicContact CZ-CD2 4.31Å; T116-L128 HydrophobicContact CG2-CB 4.45Å; T116-L128 HydrophobicContact CG2-CD1 4.22Å; K117-L128 CarbonylContact O-C 3.55Å; K117-L128 VanDerWaalsContact O-CA 3.28Å; K117-L128 WeakPolarHBondContact O-CA 3.37Å; L118-L128 HydrophobicContact CB-CD2 4.03Å; L118-L128 HydrophobicContact CD1-CD2 3.95Å; L128-Q130 HydrophobicContact CB-CG 4.47Å; L128-M145 CarbonylContact O-C 3.57Å; L128-M145 WeakPolarHBondContact O-CA 3.36Å; L128-S146 PolarHBondContact N-O 3.19Å; L128-S146 PolarHBondContact O-N 2.83Å; L128-Q148 HydrophobicContact CD1-CG 4.29Å
129E98.7Very high98.1Very high49 Ų4935.2 Ų35.223%0.22919%0.192CC..EExtended strand (participates in β ladder)trans-100.9134.7162.1-173.4-175.3104.400108.9T116 K117 I119 Q131 V143 A144T116-E129 WeakPolarHBondContact CA-O 3.41Å; K117-E129 PolarHBondContact N-O 3.2Å; K117-E129 PolarHBondContact O-N 3.26Å; I119-E129 HydrophobicContact CD1-CB 4.27Å; I119-E129 HydrophobicContact CG2-CB 3.54Å; E129-Q131 PolarHBondContact OE1-NE2 2.73Å; E129-V143 HydrophobicContact CG-CG1 4.12Å; E129-A144 CarbonylContact C-O 3.56Å; E129-A144 WeakPolarHBondContact CA-O 3.35Å
130Q98.7Very high98.2Very high0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-131.4127.8-178.2-56.1-177.3-91.800110.2L69 I114 Q115 T116 L128 V143 A144L69-Q130 HydrophobicContact CD2-CB 3.42Å; L69-Q130 VanDerWaalsContact CD2-CB 3.42Å; L69-Q130 HydrophobicContact CD2-CG 4.11Å; L69-Q130 PolarHBondContact O-NE2 2.89Å; I114-Q130 HydrophobicContact CG2-CB 4.34Å; Q115-Q130 CarbonylContact O-C 3.49Å; Q115-Q130 WeakPolarHBondContact O-CA 3.3Å; T116-Q130 HydrophobicContact CG2-CG 3.88Å; T116-Q130 PolarHBondContact OG1-NE2 3.48Å; T116-Q130 VanDerWaalsContact OG1-NE2 3.1Å; L128-Q130 HydrophobicContact CB-CG 4.47Å; Q130-V143 CarbonylContact O-C 3.49Å; Q130-V143 WeakPolarHBondContact O-CA 3.23Å; Q130-A144 HydrophobicContact CB-CB 4.45Å; Q130-A144 PolarHBondContact N-O 2.92Å; Q130-A144 PolarHBondContact O-N 3.2Å
131Q98.7Very high98.2Very high47 Ų4736.1 Ų36.122%0.2220%0.198CC..EExtended strand (participates in β ladder)trans-121126.8-177.3-58.8-172.517.100111.1I114 Q115 E129 I133 V140 A142 V143I114-Q131 VanDerWaalsContact CA-O 3.27Å; I114-Q131 WeakPolarHBondContact CA-O 3.49Å; Q115-Q131 PolarHBondContact N-O 3.27Å; Q115-Q131 PolarHBondContact O-N 2.86Å; E129-Q131 PolarHBondContact OE1-NE2 2.73Å; Q131-I133 HydrophobicContact CB-CD1 4.45Å; Q131-I133 HydrophobicContact CB-CG1 4.34Å; Q131-V140 HydrophobicContact CB-CG1 4.3Å; Q131-A142 WeakPolarHBondContact CA-O 3.44Å; Q131-V143 HydrophobicContact CG-CG1 4.29Å; Q131-V143 HydrophobicContact CG-CG2 4.25Å
132F98.8Very high98.2Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-86.6122.6169.7-75.4-101.3000109.9M60 Y65 E68 L69 I106 Y112 I114 V140 R141 A142M60-F132 HydrophobicContact SD-CE1 4.49Å; Y65-F132 AromaticContact CD1-CD1 3.93Å; Y65-F132 HydrophobicContact CD1-CD1 3.93Å; Y65-F132 AromaticContact CD1-CD2 3.75Å; Y65-F132 HydrophobicContact CD1-CD2 3.75Å; Y65-F132 AromaticContact CD1-CE1 3.95Å; Y65-F132 HydrophobicContact CD1-CE1 3.95Å; Y65-F132 AromaticContact CD1-CE2 3.75Å; Y65-F132 HydrophobicContact CD1-CE2 3.75Å; Y65-F132 AromaticContact CD1-CG 3.84Å; Y65-F132 HydrophobicContact CD1-CG 3.84Å; Y65-F132 AromaticContact CD1-CZ 3.88Å; Y65-F132 HydrophobicContact CD1-CZ 3.88Å; Y65-F132 HydrophobicContact CE1-CB 4.39Å; Y65-F132 HydrophobicContact CE1-CD1 4.16Å; Y65-F132 HydrophobicContact CE1-CD2 4.36Å; Y65-F132 HydrophobicContact CE1-CG 4.06Å; Y65-F132 HydrophobicContact CG-CE2 4.46Å; Y65-F132 HydrophobicContact CG-CZ 4.41Å; Y65-F132 WeakPolarHBondContact O-CZ 3.33Å; E68-F132 HydrophobicContact CB-CE1 3.84Å; E68-F132 HydrophobicContact CB-CZ 3.75Å; L69-F132 HydrophobicContact CD2-CD2 4.26Å; L69-F132 HydrophobicContact CD2-CE2 3.33Å; L69-F132 HydrophobicContact CD2-CZ 3.87Å; L69-F132 HydrophobicContact CG-CE2 3.83Å; L69-F132 HydrophobicContact CG-CZ 4.17Å; I106-F132 HydrophobicContact CD1-CB 4.17Å; I106-F132 HydrophobicContact CD1-CD1 3.82Å; I106-F132 HydrophobicContact CD1-CG 4.35Å; Y112-F132 AromaticContact CD2-CD1 3.84Å; Y112-F132 HydrophobicContact CD2-CD1 3.84Å; Y112-F132 HydrophobicContact CD2-CE1 4.25Å; Y112-F132 AromaticContact CE2-CD1 3.97Å; Y112-F132 HydrophobicContact CE2-CD1 3.97Å; Y112-F132 AromaticContact CE2-CE1 3.89Å; Y112-F132 HydrophobicContact CE2-CE1 3.89Å; I114-F132 HydrophobicContact CD1-CD1 4.08Å; I114-F132 HydrophobicContact CD1-CE1 3.41Å; I114-F132 VanDerWaalsContact CD1-CE1 3.41Å; I114-F132 HydrophobicContact CD1-CE2 4.39Å; I114-F132 HydrophobicContact CD1-CZ 3.58Å; I114-F132 HydrophobicContact CG1-CD1 3.77Å; I114-F132 HydrophobicContact CG1-CE1 3.65Å; I114-F132 HydrophobicContact CG1-CG 4.26Å; I114-F132 HydrophobicContact CG1-CZ 4.04Å; F132-V140 CarbonylContact O-C 3.59Å; F132-V140 WeakPolarHBondContact O-CA 3.45Å; F132-R141 HydrophobicContact CB-CB 4.36Å; F132-R141 PolarHBondContact O-N 3.37Å; F132-A142 HydrophobicContact CB-CB 4.28Å; F132-A142 HydrophobicContact CD2-CB 4.07Å; F132-A142 HydrophobicContact CG-CB 4.47Å; F132-A142 PolarHBondContact N-O 2.84Å
133I98.8Very high98.3Very high12 Ų1235.4 Ų35.46%0.06220%0.195CC..EExtended strand (participates in β ladder)trans-127.4119.6-176.3-55.2169.9000108.8Y112 K113 Q115 Q131 G138 F139 V140Y112-I133 CarbonylContact C-O 3.48Å; Y112-I133 VanDerWaalsContact CA-O 3.23Å; Y112-I133 WeakPolarHBondContact CA-O 3.47Å; Y112-I133 WeakPolarHBondContact CB-O 3.46Å; K113-I133 HydrophobicContact CG-CB 3.9Å; K113-I133 PolarHBondContact N-O 2.65Å; K113-I133 PolarHBondContact O-N 3.39Å; Q115-I133 HydrophobicContact CG-CD1 4.03Å; Q131-I133 HydrophobicContact CB-CD1 4.45Å; Q131-I133 HydrophobicContact CB-CG1 4.34Å; I133-G138 WeakPolarHBondContact CG2-O 3.38Å; I133-F139 WeakPolarHBondContact CA-O 3.3Å; I133-V140 HydrophobicContact CG1-CG2 4.16Å
134T98.4Very high98.3Very high0 Ų032.1 Ų32.10%018%0.178CC..EExtended strand (participates in β ladder)trans-72.2138.1174.729.90000110.9I106 D137 G138 F139 R141I106-T134 HydrophobicContact CG1-CG2 4.16Å; I106-T134 HydrophobicContact CG2-CG2 4.24Å; T134-D137 WeakPolarHBondContact CB-OD1 3.5Å; T134-D137 PolarHBondContact OG1-OD1 3.15Å; T134-G138 WeakPolarHBondContact O-CA 3.46Å; T134-G138 PolarHBondContact O-N 3.37Å; T134-F139 PolarHBondContact N-O 3.15Å; T134-F139 PolarHBondContact OG1-O 3.21Å; T134-R141 HydrophobicContact CG2-CG 3.77Å; T134-R141 PolarHBondContact OG1-NE 3.01Å; T134-R141 PolarHBondContact OG1-NH2 3.47Å
135L98.3Very high98.3Very high80 Ų8025.8 Ų25.842%0.41915%0.151SC..THydrogen-bonded Turntrans-76.8-25.8-176.1-57.2-171.4000113.2Y45 P111 K113Y45-L135 HydrophobicContact CD1-CD1 4.1Å; Y45-L135 HydrophobicContact CD1-CD2 4.36Å; Y45-L135 HydrophobicContact CE1-CD1 4.31Å; Y45-L135 HydrophobicContact CE1-CD2 4.16Å; P111-L135 HydrophobicContact CB-CD1 3.89Å; P111-L135 HydrophobicContact CB-CG 4.27Å; P111-L135 HydrophobicContact CG-CB 4.28Å; P111-L135 HydrophobicContact CG-CD1 4.25Å; P111-L135 HydrophobicContact CG-CG 4.46Å; P111-L135 PolarHBondContact O-N 3.2Å; K113-L135 HydrophobicContact CB-CD2 4.04Å; K113-L135 HydrophobicContact CD-CD2 3.96Å; K113-L135 HydrophobicContact CG-CD2 3.9Å
136S97.2Very high98.3Very high85 Ų8525.9 Ų25.959%0.59415%0.151SC*.THydrogen-bonded Turntrans-69.1-32.3-177510000113.7
137D97.5Very high98.4Very high79 Ų7928 Ų2842%0.42216%0.161SC..THydrogen-bonded Turntrans-131-3-175.364.6-3.4000113.7T134 F139 R141T134-D137 WeakPolarHBondContact CB-OD1 3.5Å; T134-D137 PolarHBondContact OG1-OD1 3.15Å; D137-F139 VanDerWaalsContact CG-CB 3.49Å; D137-F139 PolarHBondContact O-N 2.88Å; D137-F139 VanDerWaalsContact O-N 3.17Å; D137-F139 WeakPolarHBondContact OD1-CB 3.49Å; D137-F139 PolarHBondContact OD1-N 2.9Å; D137-F139 WeakPolarHBondContact OD2-CB 3.48Å; D137-R141 IonicContact OD1-NH2 2.66Å; D137-R141 IonicContact OD2-CZ 3.46Å; D137-R141 IonicContact OD2-NH2 2.84Å; D137-R141 PolarHBondContact OD2-NH2 3.46Å
138G97.8Very high98.3Very high51 Ų5128.1 Ų28.153%0.52616%0.161SC..  trans65.412.6-176.500000114.4I133 T134I133-G138 WeakPolarHBondContact CG2-O 3.38Å; T134-G138 WeakPolarHBondContact O-CA 3.46Å; T134-G138 PolarHBondContact O-N 3.37Å
139F98.3Very high98.3Very high45 Ų4530.5 Ų30.520%0.19717%0.174CC..  trans-79.5135-173.1-170.2-90.4000112R103 R104 I133 T134 D137 R141R103-F139 HydrophobicContact CB-CE1 4.06Å; R103-F139 VanDerWaalsContact NH1-CE1 3.35Å; R104-F139 HydrophobicContact CB-CD1 4.48Å; R104-F139 HydrophobicContact CB-CE1 4Å; R104-F139 HydrophobicContact CG-CE1 3.75Å; R104-F139 HydrophobicContact CG-CZ 4.14Å; I133-F139 WeakPolarHBondContact CA-O 3.3Å; T134-F139 PolarHBondContact N-O 3.15Å; T134-F139 PolarHBondContact OG1-O 3.21Å; D137-F139 VanDerWaalsContact CG-CB 3.49Å; D137-F139 PolarHBondContact O-N 2.88Å; D137-F139 VanDerWaalsContact O-N 3.17Å; D137-F139 WeakPolarHBondContact OD1-CB 3.49Å; D137-F139 PolarHBondContact OD1-N 2.9Å; D137-F139 WeakPolarHBondContact OD2-CB 3.48Å; F139-R141 HydrophobicContact CD1-CG 4.41Å; F139-R141 PolarHBondContact O-N 2.92Å
140V98.5Very high98.3Very high33 Ų3328.9 Ų28.920%0.217%0.167CC..EExtended strand (participates in β ladder)trans-73.9104.3171.6-177.10000109.7R103 Q131 F132 I133 V143R103-V140 WeakPolarHBondContact CD-O 3.24Å; R103-V140 PolarHBondContact NH1-O 3.16Å; Q131-V140 HydrophobicContact CB-CG1 4.3Å; F132-V140 CarbonylContact O-C 3.59Å; F132-V140 WeakPolarHBondContact O-CA 3.45Å; I133-V140 HydrophobicContact CG1-CG2 4.16Å; V140-V143 HydrophobicContact CG1-CG2 3.48Å; V140-V143 VanDerWaalsContact CG1-CG2 3.48Å
141R98.4Very high98.2Very high26 Ų2631.4 Ų31.410%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-81.3-38.1-175.4-64.1-69.4175.5152.3-4.4112.8R103 R104 T105 I106 F132 T134 D137 F139R103-R141 PolarHBondContact N-O 2.89Å; R104-R141 PolarHBondContact N-O 2.99Å; R104-R141 WeakPolarHBondContact O-CB 3.36Å; R104-R141 VanDerWaalsContact O-O 3.13Å; T105-R141 PolarHBondContact O-NH1 3.27Å; I106-R141 HydrophobicContact CD1-CB 4.31Å; I106-R141 HydrophobicContact CG1-CB 3.85Å; I106-R141 HydrophobicContact CG1-CG 3.78Å; F132-R141 HydrophobicContact CB-CB 4.36Å; F132-R141 PolarHBondContact O-N 3.37Å; T134-R141 HydrophobicContact CG2-CG 3.77Å; T134-R141 PolarHBondContact OG1-NE 3.01Å; T134-R141 PolarHBondContact OG1-NH2 3.47Å; D137-R141 IonicContact OD1-NH2 2.66Å; D137-R141 IonicContact OD2-CZ 3.46Å; D137-R141 IonicContact OD2-NH2 2.84Å; D137-R141 PolarHBondContact OD2-NH2 3.46Å; F139-R141 HydrophobicContact CD1-CG 4.41Å; F139-R141 PolarHBondContact O-N 2.92Å
142A98.5Very high98.1Very high0 Ų035.7 Ų35.70%021%0.207CC..EExtended strand (participates in β ladder)trans-148.7149175.800000110.7Y65 V100 R101 Y102 Q131 F132Y65-A142 HydrophobicContact CD1-CB 3.79Å; Y65-A142 HydrophobicContact CE1-CB 3.74Å; V100-A142 HydrophobicContact CG1-CB 4.46Å; R101-A142 CarbonylContact O-C 3.53Å; R101-A142 VanDerWaalsContact O-CA 3.23Å; R101-A142 WeakPolarHBondContact O-CA 3.45Å; Y102-A142 HydrophobicContact CD1-CB 4.06Å; Q131-A142 WeakPolarHBondContact CA-O 3.44Å; F132-A142 HydrophobicContact CB-CB 4.28Å; F132-A142 HydrophobicContact CD2-CB 4.07Å; F132-A142 HydrophobicContact CG-CB 4.47Å; F132-A142 PolarHBondContact N-O 2.84Å
143V98.5Very high98Very high24 Ų2436.8 Ų36.815%0.14521%0.214CC..EExtended strand (participates in β ladder)trans-125.8133.4174-1770000108.1V100 R101 E129 Q130 Q131 V140V100-V143 WeakPolarHBondContact CA-O 3.3Å; R101-V143 PolarHBondContact N-O 3.31Å; R101-V143 PolarHBondContact O-N 2.88Å; E129-V143 HydrophobicContact CG-CG1 4.12Å; Q130-V143 CarbonylContact O-C 3.49Å; Q130-V143 WeakPolarHBondContact O-CA 3.23Å; Q131-V143 HydrophobicContact CG-CG1 4.29Å; Q131-V143 HydrophobicContact CG-CG2 4.25Å; V140-V143 HydrophobicContact CG1-CG2 3.48Å; V140-V143 VanDerWaalsContact CG1-CG2 3.48Å
144A98.5Very high97.9Very high1 Ų139.3 Ų39.31%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-128.6133.8-179.700000112L69 S99 V100 E129 Q130L69-A144 HydrophobicContact CD1-CB 3.31Å; L69-A144 HydrophobicContact CD2-CB 4.38Å; L69-A144 HydrophobicContact CG-CB 4.47Å; S99-A144 CarbonylContact O-C 3.59Å; S99-A144 WeakPolarHBondContact O-CA 3.39Å; V100-A144 HydrophobicContact CB-CB 4.48Å; V100-A144 HydrophobicContact CG1-CB 4.39Å; V100-A144 HydrophobicContact CG2-CB 3.9Å; E129-A144 CarbonylContact C-O 3.56Å; E129-A144 WeakPolarHBondContact CA-O 3.35Å; Q130-A144 HydrophobicContact CB-CB 4.45Å; Q130-A144 PolarHBondContact N-O 2.92Å; Q130-A144 PolarHBondContact O-N 3.2Å
145M98.3Very high97.9Very high5 Ų539.5 Ų39.53%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-97.8137.4163.5-70.5-173.3-7000109.3S98 S99 L128 E174 L175 W178S98-M145 CarbonylContact C-O 3.57Å; S98-M145 VanDerWaalsContact CA-O 3.3Å; S98-M145 WeakPolarHBondContact CA-O 3.24Å; S99-M145 PolarHBondContact N-O 3.3Å; S99-M145 PolarHBondContact O-N 3.45Å; L128-M145 CarbonylContact O-C 3.57Å; L128-M145 WeakPolarHBondContact O-CA 3.36Å; M145-E174 HydrophobicContact CE-CG 3.97Å; M145-E174 WeakPolarHBondContact CE-OE1 3.42Å; M145-E174 HydrophobicContact SD-CG 4.15Å; M145-L175 HydrophobicContact SD-CB 4.49Å; M145-L175 HydrophobicContact SD-CD1 4.3Å; M145-W178 HydrophobicContact CB-CD2 4.46Å; M145-W178 HydrophobicContact CB-CE3 3.9Å; M145-W178 HydrophobicContact CB-CH2 4.17Å; M145-W178 HydrophobicContact CB-CZ3 3.74Å; M145-W178 HydrophobicContact CE-CB 3.68Å; M145-W178 HydrophobicContact CE-CD2 3.82Å; M145-W178 HydrophobicContact CE-CE3 3.95Å; M145-W178 HydrophobicContact CE-CG 3.69Å; M145-W178 HydrophobicContact SD-CD2 4.43Å; M145-W178 HydrophobicContact SD-CE3 3.96Å
146S98.2Very high97.8Very high2 Ų238.9 Ų38.91%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-132.1118.3-177.7158.50000110.7Q95 Y127 L128 Q148Q95-S146 PolarHBondContact NE2-OG 2.87Å; Y127-S146 WeakPolarHBondContact CA-O 3.47Å; L128-S146 PolarHBondContact N-O 3.19Å; L128-S146 PolarHBondContact O-N 2.83Å; S146-Q148 PolarHBondContact OG-NE2 2.87Å
147K98.4Very high97.8Very high46 Ų4639.9 Ų39.920%0.222%0.221CC..EExtended strand (participates in β ladder)trans-89.4110.5168.9177.1176.9-172.5173.60109.1Q95 G96 A97 A125 Y127 N149 W178 L179Q95-K147 PolarHBondContact NE2-O 3.49Å; G96-K147 PolarHBondContact N-O 2.9Å; A97-K147 HydrophobicContact CB-CB 4.2Å; A97-K147 PolarHBondContact N-O 3.48Å; A97-K147 PolarHBondContact O-N 3.46Å; A125-K147 HydrophobicContact CB-CG 4.04Å; Y127-K147 HydrophobicContact CD1-CB 3.96Å; Y127-K147 HydrophobicContact CD1-CG 4.16Å; Y127-K147 HydrophobicContact CE1-CB 3.75Å; Y127-K147 HydrophobicContact CE1-CD 3.83Å; Y127-K147 HydrophobicContact CE1-CG 3.51Å; K147-N149 VanDerWaalsContact CE-OD1 3.24Å; K147-N149 WeakPolarHBondContact CE-OD1 3.37Å; K147-W178 HydrophobicContact CB-CH2 3.87Å; K147-W178 HydrophobicContact CB-CZ3 4.2Å; K147-L179 HydrophobicContact CD-CD2 4.4Å
148Q98.4Very high97.8Very high6 Ų636.2 Ų36.23%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-101.7106.6175.4-61.6-66.3-59.900108.4R73 Y77 V94 A125 I126 L128 S146R73-Q148 VanDerWaalsContact NE-NE2 3.19Å; Y77-Q148 WeakPolarHBondContact OH-CG 3.27Å; Y77-Q148 PolarHBondContact OH-OE1 2.92Å; V94-Q148 CarbonylContact O-C 3.56Å; A125-Q148 CarbonylContact C-O 3.52Å; A125-Q148 WeakPolarHBondContact CA-O 3.48Å; A125-Q148 VanDerWaalsContact CB-O 3.31Å; A125-Q148 WeakPolarHBondContact CB-O 3.41Å; I126-Q148 HydrophobicContact CD1-CB 4.23Å; I126-Q148 HydrophobicContact CG1-CB 3.61Å; I126-Q148 HydrophobicContact CG1-CG 4.24Å; I126-Q148 PolarHBondContact N-O 3.48Å; I126-Q148 PolarHBondContact O-N 3.05Å; L128-Q148 HydrophobicContact CD1-CG 4.29Å; S146-Q148 PolarHBondContact OG-NE2 2.87Å
149N98.3Very high97.8Very high50 Ų5033.9 Ų33.927%0.26718%0.177SC..EExtended strand (participates in β ladder)trans-73.8129.1174.6-64.2-29.6000108.5A93 V94 G96 K147A93-N149 WeakPolarHBondContact CA-O 3.33Å; V94-N149 HydrophobicContact CG2-CB 3.79Å; V94-N149 PolarHBondContact N-O 2.8Å; V94-N149 PolarHBondContact O-N 2.84Å; G96-N149 VanDerWaalsContact CA-ND2 3.27Å; G96-N149 WeakPolarHBondContact CA-ND2 3.2Å; K147-N149 VanDerWaalsContact CE-OD1 3.24Å; K147-N149 WeakPolarHBondContact CE-OD1 3.37Å
150I98.2Very high97.7Very high14 Ų1439.2 Ų39.27%0.07220%0.2CC..EExtended strand (participates in β ladder)trans-100.3124.8176.1-52.5-49.2000107.8I86 G92 A93 K124 I126 C153 V155I86-I150 HydrophobicContact CD1-CD1 3.83Å; I86-I150 HydrophobicContact CD1-CG1 4.35Å; I86-I150 HydrophobicContact CD1-CG2 4.23Å; I86-I150 HydrophobicContact CG1-CG2 4.12Å; I86-I150 HydrophobicContact CG2-CG2 3.91Å; G92-I150 CarbonylContact O-C 3.47Å; G92-I150 VanDerWaalsContact O-CA 3.28Å; G92-I150 WeakPolarHBondContact O-CA 3.47Å; A93-I150 HydrophobicContact CB-CD1 3.73Å; K124-I150 PolarHBondContact O-N 3.21Å; I126-I150 HydrophobicContact CD1-CD1 4.48Å; I126-I150 HydrophobicContact CG1-CD1 4.41Å; I150-C153 WeakPolarHBondContact CG2-SG 3.38Å; I150-V155 HydrophobicContact CB-CG2 3.49Å; I150-V155 VanDerWaalsContact CB-CG2 3.49Å; I150-V155 HydrophobicContact CG1-CG2 3.43Å; I150-V155 VanDerWaalsContact CG1-CG2 3.43Å; I150-V155 HydrophobicContact CG2-CG2 4.15Å
151T97.2Very high97.5Very high53 Ų5340.3 Ų40.333%0.32521%0.207SC..EExtended strand (participates in β ladder)trans-97.3153.8-17760.20000110.9G91 G92 V94 C153G91-T151 WeakPolarHBondContact CA-O 3.29Å; G92-T151 WeakPolarHBondContact CA-OG1 3.32Å; G92-T151 PolarHBondContact N-O 2.59Å; G92-T151 PolarHBondContact N-OG1 2.92Å; G92-T151 VanDerWaalsContact N-OG1 3.07Å; G92-T151 PolarHBondContact O-N 3.46Å; G92-T151 PolarHBondContact O-OG1 2.75Å; V94-T151 HydrophobicContact CG2-CG2 4.39Å; T151-C153 PolarHBondContact O-N 3.45Å
152N96.6Very high97.5Very high138 Ų13839.5 Ų39.574%0.73820%0.204SC*.SBendtrans590.7174.5-47.5-32000117.3R90R90-N152 PolarHBondContact O-ND2 3.06Å; R90-N152 VanDerWaalsContact O-ND2 3.11Å
153C95.2Very high97.3Very high23 Ų2344.9 Ų44.916%0.15524%0.239CC..SBendtrans-145.8155.9174.865.80000112.2R89 I150 T151R89-C153 HydrophobicContact CB-CB 3.81Å; I150-C153 WeakPolarHBondContact CG2-SG 3.38Å; T151-C153 PolarHBondContact O-N 3.45Å
154N97.3Very high97.2Very high65 Ų6546.3 Ų46.335%0.34824%0.244SC..  trans-83.4125.4177.3-172.8-55.2000110L156 E157 V158N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 3.35Å; N154-L156 WeakPolarHBondContact OD1-CA 3.18Å; N154-L156 VanDerWaalsContact OD1-CB 3.25Å; N154-L156 WeakPolarHBondContact OD1-CB 3.49Å; N154-L156 PolarHBondContact OD1-N 3.29Å; N154-E157 HydrophobicContact CB-CB 4.32Å; N154-E157 HydrophobicContact CB-CG 4.12Å; N154-E157 PolarHBondContact O-N 3.5Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.03Å; N154-V158 VanDerWaalsContact O-N 3.13Å
155V97.7Very high97Very high3 Ų346.8 Ų46.82%0.01825%0.246CC..Hα-helixtrans-64.6-33.9-177.5171.60000112.5W121 D122 D123 I126 I150 E157 V158 L159W121-V155 HydrophobicContact CB-CG1 4.01Å; D122-V155 WeakPolarHBondContact O-CB 3.16Å; D122-V155 VanDerWaalsContact O-CG1 3.3Å; D122-V155 WeakPolarHBondContact O-CG1 3.45Å; D123-V155 PolarHBondContact O-N 2.87Å; I126-V155 HydrophobicContact CG2-CG1 3.55Å; I150-V155 HydrophobicContact CB-CG2 3.49Å; I150-V155 VanDerWaalsContact CB-CG2 3.49Å; I150-V155 HydrophobicContact CG1-CG2 3.43Å; I150-V155 VanDerWaalsContact CG1-CG2 3.43Å; I150-V155 HydrophobicContact CG2-CG2 4.15Å; V155-E157 VanDerWaalsContact C-N 3.35Å; V155-V158 PolarHBondContact O-N 2.98Å; V155-L159 HydrophobicContact CG1-CD1 3.7Å; V155-L159 HydrophobicContact CG1-CG 4.25Å; V155-L159 WeakPolarHBondContact O-CB 3.38Å; V155-L159 WeakPolarHBondContact O-CG 3.47Å; V155-L159 PolarHBondContact O-N 3.08Å
156L97Very high96.7Very high68 Ų6851.1 Ų51.136%0.35628%0.283SS..Hα-helixtrans-64.5-41.2177-56.5174000110.9D123 N154 V158 L159 K160D123-L156 HydrophobicContact CB-CD1 4.18Å; D123-L156 HydrophobicContact CB-CG 4.4Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 3.35Å; N154-L156 WeakPolarHBondContact OD1-CA 3.18Å; N154-L156 VanDerWaalsContact OD1-CB 3.25Å; N154-L156 WeakPolarHBondContact OD1-CB 3.49Å; N154-L156 PolarHBondContact OD1-N 3.29Å; L156-V158 VanDerWaalsContact C-N 3.35Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-K160 VanDerWaalsContact O-CB 3.23Å; L156-K160 WeakPolarHBondContact O-CB 3.39Å; L156-K160 PolarHBondContact O-N 2.91Å
157E96.7Very high96.3Very high105 Ų10559.3 Ų59.349%0.49132%0.322SS..Hα-helixtrans-69.6-31.8176.9-66.2-54.8135.200112.8N154 V155N154-E157 HydrophobicContact CB-CB 4.32Å; N154-E157 HydrophobicContact CB-CG 4.12Å; N154-E157 PolarHBondContact O-N 3.5Å; V155-E157 VanDerWaalsContact C-N 3.35Å
158V97.5Very high96Very high3 Ų362.9 Ų62.92%0.01833%0.334CS..Hα-helixtrans-66.8-52.1171.5173.10000109.9L82 R85 I86 N154 V155 L156 K160 T161L82-V158 HydrophobicContact CD1-CG1 3.74Å; R85-V158 HydrophobicContact CB-CG1 4.13Å; I86-V158 HydrophobicContact CG1-CG1 4.07Å; I86-V158 HydrophobicContact CG1-CG2 4.35Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.03Å; N154-V158 VanDerWaalsContact O-N 3.13Å; V155-V158 PolarHBondContact O-N 2.98Å; L156-V158 VanDerWaalsContact C-N 3.35Å; V158-K160 PolarHBondContact O-N 2.9Å; V158-T161 WeakPolarHBondContact O-CB 3.23Å; V158-T161 PolarHBondContact O-N 2.81Å; V158-T161 PolarHBondContact O-OG1 2.85Å
159L97.4Very high95.7Very high1 Ų165.2 Ų65.21%0.00535%0.35CS..Hα-helixtrans-70.4-33.6-173.1-72.8173.8000112.2V38 L82 L118 W121 I126 V155 L156 T161 Y162 T165V38-L159 HydrophobicContact CG1-CD2 4.31Å; V38-L159 HydrophobicContact CG2-CD2 4.08Å; L82-L159 HydrophobicContact CD1-CD2 4.01Å; L118-L159 HydrophobicContact CD2-CD1 4.47Å; L118-L159 HydrophobicContact CD2-CD2 4.22Å; W121-L159 HydrophobicContact CB-CD1 3.68Å; W121-L159 HydrophobicContact CD2-CD1 3.41Å; W121-L159 VanDerWaalsContact CD2-CD1 3.41Å; W121-L159 HydrophobicContact CE3-CD1 4.11Å; W121-L159 HydrophobicContact CG-CD1 3.18Å; I126-L159 HydrophobicContact CG2-CD1 4.25Å; V155-L159 HydrophobicContact CG1-CD1 3.7Å; V155-L159 HydrophobicContact CG1-CG 4.25Å; V155-L159 WeakPolarHBondContact O-CB 3.38Å; V155-L159 WeakPolarHBondContact O-CG 3.47Å; V155-L159 PolarHBondContact O-N 3.08Å; L156-L159 PolarHBondContact O-N 2.91Å; L159-T161 PolarHBondContact O-N 2.9Å; L159-Y162 HydrophobicContact CD2-CD2 4.21Å; L159-Y162 HydrophobicContact CD2-CE2 4.38Å; L159-Y162 VanDerWaalsContact O-CB 3.32Å; L159-Y162 WeakPolarHBondContact O-CB 3.37Å; L159-Y162 WeakPolarHBondContact O-CD2 3.4Å; L159-Y162 PolarHBondContact O-N 2.89Å; L159-T165 HydrophobicContact CB-CG2 4.34Å; L159-T165 HydrophobicContact CD2-CG2 4.33Å; L159-T165 PolarHBondContact O-OG1 2.96Å
160K96.1Very high95.6Very high157 Ų15771.6 Ų71.668%0.68338%0.378SS*.THydrogen-bonded Turntrans-53.8-20.1174.2-171.8176.3179.4-176.30114.3L156 V158 Y162L156-K160 VanDerWaalsContact O-CB 3.23Å; L156-K160 WeakPolarHBondContact O-CB 3.39Å; L156-K160 PolarHBondContact O-N 2.91Å; V158-K160 PolarHBondContact O-N 2.9Å; K160-Y162 PolarHBondContact O-N 2.89Å
161T96.4Very high95.6Very high57 Ų5774.7 Ų74.735%0.3539%0.391SS..THydrogen-bonded Turntrans-73.6-7.1172.670.50000114.7R85 R89 V158 L159R85-T161 VanDerWaalsContact CD-OG1 3.28Å; R85-T161 WeakPolarHBondContact CD-OG1 3.47Å; R85-T161 PolarHBondContact NE-OG1 2.96Å; R85-T161 VanDerWaalsContact NE-OG1 3.15Å; R89-T161 VanDerWaalsContact NH2-CG2 3.27Å; V158-T161 WeakPolarHBondContact O-CB 3.23Å; V158-T161 PolarHBondContact O-N 2.81Å; V158-T161 PolarHBondContact O-OG1 2.85Å; L159-T161 PolarHBondContact O-N 2.9Å
162Y97.1Very high95.6Very high8 Ų874.6 Ų74.63%0.03139%0.391CS..SBendtrans-103.5113.8175.2-69.2-88.6000109.6V38 T80 G81 L82 R85 L159 K160 E164 T165V38-Y162 HydrophobicContact CB-CD1 3.91Å; V38-Y162 HydrophobicContact CB-CE1 3.9Å; V38-Y162 HydrophobicContact CB-CE2 4.48Å; V38-Y162 HydrophobicContact CB-CG 4.2Å; V38-Y162 HydrophobicContact CG1-CD1 3.9Å; V38-Y162 HydrophobicContact CG1-CD2 4.2Å; V38-Y162 HydrophobicContact CG1-CE1 4.37Å; V38-Y162 HydrophobicContact CG1-CG 3.78Å; T80-Y162 WeakPolarHBondContact O-CE1 3.48Å; T80-Y162 PolarHBondContact O-OH 3.17Å; G81-Y162 PolarHBondContact O-OH 3.19Å; L82-Y162 WeakPolarHBondContact CA-OH 3.4Å; L82-Y162 HydrophobicContact CD1-CE2 4.15Å; L82-Y162 PolarHBondContact N-OH 2.78Å; L82-Y162 VanDerWaalsContact N-OH 3.1Å; R85-Y162 WeakPolarHBondContact CD-OH 3.23Å; R85-Y162 VanDerWaalsContact NH1-CZ 3.33Å; R85-Y162 PolarHBondContact NH1-OH 2.82Å; L159-Y162 HydrophobicContact CD2-CD2 4.21Å; L159-Y162 HydrophobicContact CD2-CE2 4.38Å; L159-Y162 VanDerWaalsContact O-CB 3.32Å; L159-Y162 WeakPolarHBondContact O-CB 3.37Å; L159-Y162 WeakPolarHBondContact O-CD2 3.4Å; L159-Y162 PolarHBondContact O-N 2.89Å; K160-Y162 PolarHBondContact O-N 2.89Å; Y162-E164 WeakPolarHBondContact CD1-OE1 3.39Å; Y162-E164 PolarHBondContact O-N 2.81Å; Y162-E164 VanDerWaalsContact O-N 3.13Å; Y162-T165 HydrophobicContact CG-CG2 4.5Å; Y162-T165 PolarHBondContact O-N 3.47Å; Y162-T165 PolarHBondContact O-OG1 2.75Å
163P95.1Very high95.7Very high113 Ų11375.2 Ų75.273%0.73439%0.389SS*.G310 helixtrans-53.9-34.5180-27.235000113.6T165 A166P163-T165 PolarHBondContact O-N 2.98Å; P163-A166 PolarHBondContact O-N 3.42Å
164E95.3Very high95.8Very high55 Ų5577.5 Ų77.526%0.25740%0.398SS..G310 helixtrans-71-5.1179.968.6-91.7-150.200114.8K37 V38 T39 Y162K37-E164 VanDerWaalsContact CA-OE1 3.27Å; K37-E164 WeakPolarHBondContact CA-OE1 3.43Å; K37-E164 HydrophobicContact CB-CG 4.05Å; K37-E164 WeakPolarHBondContact CB-OE1 3.37Å; K37-E164 HydrophobicContact CD-CB 4.4Å; V38-E164 HydrophobicContact CG1-CG 4.05Å; V38-E164 PolarHBondContact N-OE1 2.84Å; T39-E164 HydrophobicContact CG2-CG 3.99Å; Y162-E164 WeakPolarHBondContact CD1-OE1 3.39Å; Y162-E164 PolarHBondContact O-N 2.81Å; Y162-E164 VanDerWaalsContact O-N 3.13Å
165T95.7Very high95.8Very high10 Ų1074.4 Ų74.46%0.06138%0.381CS..G310 helixtrans-102.82.4179.168.70000113.4V38 T39 W121 L159 Y162 P163 Q167V38-T165 HydrophobicContact CG1-CG2 3.35Å; T39-T165 HydrophobicContact CG2-CG2 4.47Å; W121-T165 HydrophobicContact CH2-CG2 4.27Å; W121-T165 HydrophobicContact CZ2-CG2 4.36Å; L159-T165 HydrophobicContact CB-CG2 4.34Å; L159-T165 HydrophobicContact CD2-CG2 4.33Å; L159-T165 PolarHBondContact O-OG1 2.96Å; Y162-T165 HydrophobicContact CG-CG2 4.5Å; Y162-T165 PolarHBondContact O-N 3.47Å; Y162-T165 PolarHBondContact O-OG1 2.75Å; P163-T165 PolarHBondContact O-N 2.98Å; T165-Q167 PolarHBondContact O-N 3.11Å
166A91Very high95.8Very high97 Ų9779.7 Ų79.780%0.80240%0.404SS*.SBendtrans-54.1-38.8-179.700000112.1P163P163-A166 PolarHBondContact O-N 3.42Å
167Q89.6Confident95.8Very high174 Ų17481.5 Ų81.581%0.81341%0.413SS*.SBendtrans-100.8111.4168.1-171.1175.815.300109.6T165T165-Q167 PolarHBondContact O-N 3.11Å
168R91.9Very high95.9Very high120 Ų12078.2 Ų78.245%0.45340%0.396SS..PPolyproline II helixtrans-71.2133.3171.6-174.4169.960.5177.9-6.7109.4W121W121-R168 HydrophobicContact CD2-CG 4.29Å; W121-R168 HydrophobicContact CH2-CB 4.48Å; W121-R168 HydrophobicContact CH2-CG 4.23Å; W121-R168 HydrophobicContact CZ2-CB 3.88Å; W121-R168 HydrophobicContact CZ2-CG 3.73Å; W121-R168 PolarHBondContact O-NH1 3.04Å
169P93.6Very high95.9Very high56 Ų5679.1 Ų79.136%0.36440%0.401SS..PPolyproline II helixtrans-63.3155.5175.227.2-35.2000111.2I119 W121I119-P169 WeakPolarHBondContact O-CG 3.28Å; W121-P169 HydrophobicContact CH2-CG 4.31Å; W121-P169 HydrophobicContact CZ3-CG 4.01Å
170E95.9Very high95.9Very high184 Ų18483.2 Ų83.286%0.8642%0.423SS*.PPolyproline II helixtrans-59.1140.6167.8-173.2172.2-170.700109.7P172E170-P172 VanDerWaalsContact O-CD 3.24Å; E170-P172 WeakPolarHBondContact O-CD 3.47Å
171K97.3Very high96Very high79 Ų7978.5 Ų78.534%0.34341%0.413SS..PPolyproline II helixtrans-67.4118.9179.1-176.4-176.9-68.3-178.30108.5W120 E173 L175 K176W120-K171 HydrophobicContact CD2-CB 4.33Å; W120-K171 HydrophobicContact CD2-CG 4.11Å; W120-K171 HydrophobicContact CG-CB 4.37Å; W120-K171 HydrophobicContact CG-CG 4.33Å; W120-K171 VanDerWaalsContact CZ3-CE 3.45Å; K171-E173 PolarHBondContact O-N 3.35Å; K171-L175 HydrophobicContact CG-CB 4.48Å; K171-L175 HydrophobicContact CG-CD2 4.2Å; K171-L175 HydrophobicContact CG-CG 4.4Å; K171-K176 HydrophobicContact CD-CB 3.93Å; K171-K176 HydrophobicContact CD-CG 4.45Å; K171-K176 HydrophobicContact CG-CB 4.44Å
172P97.3Very high96Very high50 Ų5077.5 Ų77.533%0.32541%0.405SS..PPolyproline II helixtrans-56.6140.2176.3-24.735000111.3E170 E174 L175 K176E170-P172 VanDerWaalsContact O-CD 3.24Å; E170-P172 WeakPolarHBondContact O-CD 3.47Å; P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.01Å; P172-L175 HydrophobicContact CB-CB 4.22Å; P172-L175 WeakPolarHBondContact O-CB 3.38Å; P172-L175 PolarHBondContact O-N 3.24Å; P172-K176 PolarHBondContact O-N 3.41Å
173E97.9Very high95.9Very high151 Ų15180.5 Ų80.571%0.70642%0.42SS*.Hα-helixtrans-57.7-41.8-178.7-176.8175.5-163.800112K171 L175 K176 L177K171-E173 PolarHBondContact O-N 3.35Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.13Å; E173-K176 WeakPolarHBondContact O-CB 3.46Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 VanDerWaalsContact O-N 3.11Å; E173-L177 HydrophobicContact CG-CD1 4.26Å; E173-L177 WeakPolarHBondContact O-CG 3.39Å; E173-L177 PolarHBondContact O-N 3.31Å
174E97.1Very high95.9Very high71 Ų7179.9 Ų79.933%0.33241%0.41SS..Hα-helixtrans-57.1-43.3175.5-170.2-168.2144.900112.3R101 M145 P172 W178R101-E174 IonicContact CZ-OE1 3.94Å; R101-E174 VanDerWaalsContact NH1-CD 3.26Å; R101-E174 IonicContact NH1-OE1 3.7Å; R101-E174 PolarHBondContact NH1-OE1 3.3Å; R101-E174 IonicContact NH1-OE2 3.06Å; R101-E174 PolarHBondContact NH1-OE2 3.19Å; R101-E174 IonicContact NH2-OE1 2.63Å; R101-E174 PolarHBondContact NH2-OE1 2.79Å; R101-E174 IonicContact NH2-OE2 2.66Å; M145-E174 HydrophobicContact CE-CG 3.97Å; M145-E174 WeakPolarHBondContact CE-OE1 3.42Å; M145-E174 HydrophobicContact SD-CG 4.15Å; P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.01Å; E174-W178 WeakPolarHBondContact O-CB 3.41Å; E174-W178 PolarHBondContact O-N 2.88Å
175L97.9Very high95.7Very high1 Ų180.3 Ų80.31%0.00542%0.419CS..Hα-helixtrans-66.3-40.9177.2-18060.9000110.8I119 W120 Y127 M145 K171 P172 E173 W178 L179I119-L175 HydrophobicContact CD1-CB 4.48Å; I119-L175 HydrophobicContact CD1-CD1 4.49Å; I119-L175 HydrophobicContact CD1-CD2 4.07Å; I119-L175 HydrophobicContact CG1-CD2 4.45Å; W120-L175 HydrophobicContact CB-CD2 3.38Å; W120-L175 HydrophobicContact CD2-CD2 4.21Å; W120-L175 HydrophobicContact CE3-CD2 4.04Å; W120-L175 HydrophobicContact CG-CD2 3.97Å; Y127-L175 HydrophobicContact CD1-CD1 3.74Å; Y127-L175 HydrophobicContact CD1-CD2 4.49Å; Y127-L175 HydrophobicContact CD2-CD2 4.38Å; Y127-L175 HydrophobicContact CE1-CD1 4.4Å; Y127-L175 HydrophobicContact CG-CD1 4.05Å; Y127-L175 HydrophobicContact CG-CD2 4Å; M145-L175 HydrophobicContact SD-CB 4.49Å; M145-L175 HydrophobicContact SD-CD1 4.3Å; K171-L175 HydrophobicContact CG-CB 4.48Å; K171-L175 HydrophobicContact CG-CD2 4.2Å; K171-L175 HydrophobicContact CG-CG 4.4Å; P172-L175 HydrophobicContact CB-CB 4.22Å; P172-L175 WeakPolarHBondContact O-CB 3.38Å; P172-L175 PolarHBondContact O-N 3.24Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.13Å; L175-W178 HydrophobicContact CD1-CE3 3.69Å; L175-W178 HydrophobicContact CD1-CZ3 4.06Å; L175-W178 PolarHBondContact O-N 3.33Å; L175-L179 HydrophobicContact CD1-CD1 4.1Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CG-CD1 4.01Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 WeakPolarHBondContact O-CB 3.23Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.29Å; L175-L179 PolarHBondContact O-N 3.04Å
176K98Very high95.5Very high114 Ų11481.5 Ų81.550%0.49643%0.427SS..Hα-helixtrans-58.4-53.7175.9-177.8-173.8172.7-172.20110.8K171 P172 E173 W178 L179 D180K171-K176 HydrophobicContact CD-CB 3.93Å; K171-K176 HydrophobicContact CD-CG 4.45Å; K171-K176 HydrophobicContact CG-CB 4.44Å; P172-K176 PolarHBondContact O-N 3.41Å; E173-K176 WeakPolarHBondContact O-CB 3.46Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 VanDerWaalsContact O-N 3.11Å; K176-W178 VanDerWaalsContact C-N 3.29Å; K176-W178 PolarHBondContact O-N 3.06Å; K176-L179 PolarHBondContact O-N 2.76Å; K176-L179 VanDerWaalsContact O-N 3.13Å; K176-D180 VanDerWaalsContact O-CG 3.27Å; K176-D180 PolarHBondContact O-N 3.1Å
177L98.2Very high95.6Very high106 Ų10681 Ų8156%0.55541%0.409SS*.Hα-helixtrans-59.5-39.9179.9-68172.9000112.3E173 D180 A181E173-L177 HydrophobicContact CG-CD1 4.26Å; E173-L177 WeakPolarHBondContact O-CG 3.39Å; E173-L177 PolarHBondContact O-N 3.31Å; L177-D180 PolarHBondContact O-N 3.31Å; L177-A181 WeakPolarHBondContact O-CB 3.47Å; L177-A181 PolarHBondContact O-N 3.14Å
178W98Very high95.7Very high35 Ų3579.3 Ų79.313%0.13340%0.399CS..Hα-helixtrans-66.2-40176.8-179.549.5000112.6A97 Y127 M145 K147 E174 L175 K176 A181 I182A97-W178 HydrophobicContact CB-CH2 4.07Å; A97-W178 HydrophobicContact CB-CZ2 3.72Å; A97-W178 WeakPolarHBondContact O-CH2 3.5Å; Y127-W178 HydrophobicContact CD1-CZ3 4.38Å; M145-W178 HydrophobicContact CB-CD2 4.46Å; M145-W178 HydrophobicContact CB-CE3 3.9Å; M145-W178 HydrophobicContact CB-CH2 4.17Å; M145-W178 HydrophobicContact CB-CZ3 3.74Å; M145-W178 HydrophobicContact CE-CB 3.68Å; M145-W178 HydrophobicContact CE-CD2 3.82Å; M145-W178 HydrophobicContact CE-CE3 3.95Å; M145-W178 HydrophobicContact CE-CG 3.69Å; M145-W178 HydrophobicContact SD-CD2 4.43Å; M145-W178 HydrophobicContact SD-CE3 3.96Å; K147-W178 HydrophobicContact CB-CH2 3.87Å; K147-W178 HydrophobicContact CB-CZ3 4.2Å; E174-W178 WeakPolarHBondContact O-CB 3.41Å; E174-W178 PolarHBondContact O-N 2.88Å; L175-W178 HydrophobicContact CD1-CE3 3.69Å; L175-W178 HydrophobicContact CD1-CZ3 4.06Å; L175-W178 PolarHBondContact O-N 3.33Å; K176-W178 VanDerWaalsContact C-N 3.29Å; K176-W178 PolarHBondContact O-N 3.06Å; W178-A181 PolarHBondContact O-N 3.17Å; W178-I182 HydrophobicContact CD2-CD1 3.94Å; W178-I182 VanDerWaalsContact CE2-CD1 3.49Å; W178-I182 HydrophobicContact CG-CD1 4.37Å; W178-I182 HydrophobicContact CH2-CD1 4.3Å; W178-I182 HydrophobicContact CZ2-CD1 3.7Å; W178-I182 WeakPolarHBondContact O-CG1 3.24Å; W178-I182 PolarHBondContact O-N 2.82Å
179L97.6Very high95.6Very high22 Ų2279.2 Ų79.212%0.11541%0.406CS..Hα-helixtrans-69.8-38.2176.4-66.5174.6000112.5W120 Y127 K147 L175 K176 A181 I182 E183W120-L179 HydrophobicContact CZ3-CD1 4.49Å; Y127-L179 HydrophobicContact CD1-CD2 4.35Å; Y127-L179 HydrophobicContact CE1-CD1 4.06Å; Y127-L179 HydrophobicContact CE1-CD2 3.47Å; Y127-L179 VanDerWaalsContact CE1-CD2 3.47Å; Y127-L179 HydrophobicContact CE1-CG 4.32Å; K147-L179 HydrophobicContact CD-CD2 4.4Å; L175-L179 HydrophobicContact CD1-CD1 4.1Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CG-CD1 4.01Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 WeakPolarHBondContact O-CB 3.23Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.29Å; L175-L179 PolarHBondContact O-N 3.04Å; K176-L179 PolarHBondContact O-N 2.76Å; K176-L179 VanDerWaalsContact O-N 3.13Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 2.88Å; L179-I182 HydrophobicContact CD2-CD1 4.41Å; L179-I182 PolarHBondContact O-N 2.76Å; L179-E183 PolarHBondContact O-N 2.89Å
180D97.5Very high95.4Very high88 Ų8883.4 Ų83.447%0.47142%0.415SS..Hα-helixtrans-62.1-41.3175.1-67-16.9000110.5K176 L177 I182 E183 L184K176-D180 VanDerWaalsContact O-CG 3.27Å; K176-D180 PolarHBondContact O-N 3.1Å; L177-D180 PolarHBondContact O-N 3.31Å; D180-I182 PolarHBondContact O-N 3.48Å; D180-E183 PolarHBondContact O-N 2.63Å; D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 3.04Å
181A96.9Very high94.5Very high58 Ų5883 Ų8348%0.47941%0.41SS..Hα-helixtrans-62.6-41.1173.600000112.7L177 W178 L179 S185L177-A181 WeakPolarHBondContact O-CB 3.47Å; L177-A181 PolarHBondContact O-N 3.14Å; W178-A181 PolarHBondContact O-N 3.17Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 2.88Å; A181-S185 PolarHBondContact O-N 2.96Å
182I96.2Very high93.3Very high35 Ų3585.7 Ų85.718%0.17943%0.428CS..Hα-helixtrans-65.1-42.8175.6-71.8166.3000111.2A97 W178 L179 D180 S185 S186A97-I182 HydrophobicContact CB-CD1 3.64Å; W178-I182 HydrophobicContact CD2-CD1 3.94Å; W178-I182 VanDerWaalsContact CE2-CD1 3.49Å; W178-I182 HydrophobicContact CG-CD1 4.37Å; W178-I182 HydrophobicContact CH2-CD1 4.3Å; W178-I182 HydrophobicContact CZ2-CD1 3.7Å; W178-I182 WeakPolarHBondContact O-CG1 3.24Å; W178-I182 PolarHBondContact O-N 2.82Å; L179-I182 HydrophobicContact CD2-CD1 4.41Å; L179-I182 PolarHBondContact O-N 2.76Å; D180-I182 PolarHBondContact O-N 3.48Å; I182-S185 PolarHBondContact O-N 2.66Å; I182-S186 WeakPolarHBondContact O-CB 3.33Å; I182-S186 PolarHBondContact O-N 2.81Å; I182-S186 PolarHBondContact O-OG 3.16Å
183E95.3Very high91.2Very high71 Ų7194.9 Ų94.933%0.33246%0.463SS..Hα-helixtrans-65.2-43179.4-179.155.7-153.100110.7L179 D180 S185 S186 Q187 R190L179-E183 PolarHBondContact O-N 2.89Å; D180-E183 PolarHBondContact O-N 2.63Å; E183-S185 VanDerWaalsContact C-N 3.31Å; E183-S185 PolarHBondContact O-N 2.94Å; E183-S186 WeakPolarHBondContact O-CB 3.35Å; E183-S186 PolarHBondContact O-N 3.29Å; E183-S186 VanDerWaalsContact O-N 3.09Å; E183-Q187 WeakPolarHBondContact O-CG 3.38Å; E183-Q187 PolarHBondContact O-N 3.05Å; E183-Q187 PolarHBondContact OE1-NE2 2.86Å; E183-R190 IonicContact OE1-CZ 3.83Å; E183-R190 IonicContact OE1-NH1 3.82Å; E183-R190 PolarHBondContact OE1-NH1 3.17Å; E183-R190 IonicContact OE1-NH2 2.83Å; E183-R190 IonicContact OE2-NH1 3.98Å; E183-R190 IonicContact OE2-NH2 3.48Å; E183-R190 PolarHBondContact OE2-NH2 3.05Å
184L95Very high90.9Very high101 Ų10192.1 Ų92.153%0.52945%0.451SS..Hα-helixtrans-58.6-42.9173.8-176.765.1000111.8D180 S186D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 3.04Å; L184-S186 VanDerWaalsContact C-N 3.35Å
185S92.1Very high90.6Very high64 Ų6493.2 Ų93.245%0.44846%0.457SS..Hα-helixtrans-66.5-37.2175-170.20000112.3A181 I182 E183 K188 L189A181-S185 PolarHBondContact O-N 2.96Å; I182-S185 PolarHBondContact O-N 2.66Å; E183-S185 VanDerWaalsContact C-N 3.31Å; E183-S185 PolarHBondContact O-N 2.94Å; S185-K188 PolarHBondContact O-N 3.18Å; S185-L189 PolarHBondContact O-N 2.95Å
186S92Very high90.2Very high34 Ų3498.3 Ų98.324%0.23848%0.482CS..Hα-helixtrans-68.4-36.9179.9-61.10000111.7I182 E183 L184 K188 L189 R190I182-S186 WeakPolarHBondContact O-CB 3.33Å; I182-S186 PolarHBondContact O-N 2.81Å; I182-S186 PolarHBondContact O-OG 3.16Å; E183-S186 WeakPolarHBondContact O-CB 3.35Å; E183-S186 PolarHBondContact O-N 3.29Å; E183-S186 VanDerWaalsContact O-N 3.09Å; L184-S186 VanDerWaalsContact C-N 3.35Å; S186-K188 VanDerWaalsContact C-N 3.27Å; S186-K188 PolarHBondContact O-N 2.85Å; S186-L189 PolarHBondContact O-N 2.54Å; S186-R190 WeakPolarHBondContact O-CG 3.41Å; S186-R190 PolarHBondContact O-N 2.97Å
187Q93.3Very high89.7Confident88 Ų8897.4 Ų97.441%0.41148%0.482SS..Hα-helixtrans-62-34.7176-74.2173.45.400112.5E183 R190 K191E183-Q187 WeakPolarHBondContact O-CG 3.38Å; E183-Q187 PolarHBondContact O-N 3.05Å; E183-Q187 PolarHBondContact OE1-NE2 2.86Å; Q187-R190 PolarHBondContact O-N 3.44Å; Q187-K191 WeakPolarHBondContact O-CG 3.22Å; Q187-K191 PolarHBondContact O-N 2.66Å
188K90.6Very high89.2Confident138 Ų13896.8 Ų96.860%0.648%0.477SS*.Hα-helixtrans-61.9-47.5173.9-64177.8-178.1-177.70110.9S185 S186 R190 K191S185-K188 PolarHBondContact O-N 3.18Å; S186-K188 VanDerWaalsContact C-N 3.27Å; S186-K188 PolarHBondContact O-N 2.85Å; K188-R190 VanDerWaalsContact C-N 3.32Å; K188-R190 PolarHBondContact O-N 2.84Å; K188-K191 PolarHBondContact O-N 2.78Å
189L89.8Confident88.6Confident117 Ų117100.9 Ų100.961%0.61350%0.5SS*.Hα-helixtrans-69.2-24.5-179.2-62.6173.2000114.2S185 S186S185-L189 PolarHBondContact O-N 2.95Å; S186-L189 PolarHBondContact O-N 2.54Å
190R88.9Confident88Confident145 Ų145106.6 Ų106.655%0.54753%0.528SS..Hα-helixtrans-76.5-26.1176.6-72.4179.9-166.91409.4112.9E183 S186 Q187 K188 D192 K193E183-R190 IonicContact OE1-CZ 3.83Å; E183-R190 IonicContact OE1-NH1 3.82Å; E183-R190 PolarHBondContact OE1-NH1 3.17Å; E183-R190 IonicContact OE1-NH2 2.83Å; E183-R190 IonicContact OE2-NH1 3.98Å; E183-R190 IonicContact OE2-NH2 3.48Å; E183-R190 PolarHBondContact OE2-NH2 3.05Å; S186-R190 WeakPolarHBondContact O-CG 3.41Å; S186-R190 PolarHBondContact O-N 2.97Å; Q187-R190 PolarHBondContact O-N 3.44Å; K188-R190 VanDerWaalsContact C-N 3.32Å; K188-R190 PolarHBondContact O-N 2.84Å; R190-D192 PolarHBondContact O-N 3.33Å; R190-K193 PolarHBondContact O-N 3.18Å
191K78.9Confident87.2Confident174 Ų174108 Ų10876%0.75753%0.532SS*.Hα-helixtrans-73.4-18.5177.7-69.8178.5-179.2-174.20112.9Q187 K188 K193Q187-K191 WeakPolarHBondContact O-CG 3.22Å; Q187-K191 PolarHBondContact O-N 2.66Å; K188-K191 PolarHBondContact O-N 2.78Å; K191-K193 PolarHBondContact O-N 2.91Å
192D70.2Confident86.4Confident136 Ų136112.2 Ų112.273%0.72754%0.536SS*.THydrogen-bonded Turntrans-83.98176.9-58.4-32.1000113R190R190-D192 PolarHBondContact O-N 3.33Å
193K55.1Low85.5Confident243 Ų243119.2 Ų119.2100%1.05757%0.569SS**  trans-112.30173.5-70.3-170.1176.5-170.80110.6R190 K191R190-K193 PolarHBondContact O-N 3.18Å; K191-K193 PolarHBondContact O-N 2.91Å

Retrieved 193 of 193 residues in 46.5 ms (Link to these results)

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