A0A087YAV3_POEFO Loading...

arylamine N-acetyltransferase

AlphaFold DB , UniProt , Accession A0A087YAV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 297 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
1M37.3Very low66.3Low251 Ų251115 Ų115100%1.23662%0.624SS**  095.80-74168172.400106.4
2S36.6Very low68.9Low121 Ų121109.7 Ų109.785%0.84659%0.592SS**  trans-87.2125.7-178.9-1770000108.1S4S2-S4 PolarHBondContact O-N 3.42Å
3S38.2Very low71.2Confident97 Ų97101.2 Ų101.268%0.67855%0.547SS*.  trans-50.8122.9177.750.50000111.9E5S3-E5 PolarHBondContact O-N 2.68Å
4S44.9Very low73.1Confident113 Ų11394.6 Ų94.679%0.7951%0.51SS*.  trans-82.16.3172.853.80000113.4S2 G6S2-S4 PolarHBondContact O-N 3.42Å; S4-G6 PolarHBondContact O-N 2.73Å; S4-G6 VanDerWaalsContact O-N 3.1Å
5E48.2Very low74.8Confident185 Ų18596.4 Ų96.486%0.86451%0.514SS*.THydrogen-bonded Turntrans-76.994.2175.4-71.6-179.716300109.1S3S3-E5 PolarHBondContact O-N 2.68Å
6G60Low76.3Confident41 Ų4192.1 Ų92.142%0.42349%0.489SS..THydrogen-bonded Turntrans159.2-22.1173.800000115.5S4S4-G6 PolarHBondContact O-N 2.73Å; S4-G6 VanDerWaalsContact O-N 3.1Å
7R82.6Confident77.6Confident207 Ų20786.8 Ų86.878%0.78146%0.46SS*.SBendtrans-89.4143.4-178.4-160170.1177.5174.4-3111.4R68R7-R68 PolarHBondContact O-NH2 2.7Å
8M94.3Very high78.7Confident43 Ų4383.8 Ų83.821%0.21245%0.453CS..  trans-58.5140.4169.3-62.6-178.9-68.100110.4L59 E60 F63 W84M8-L59 HydrophobicContact CE-CB 4.37Å; M8-L59 HydrophobicContact CE-CD2 3.67Å; M8-L59 HydrophobicContact CE-CG 3.76Å; M8-L59 HydrophobicContact SD-CD2 4.3Å; M8-L59 HydrophobicContact SD-CG 3.79Å; M8-E60 HydrophobicContact SD-CB 4.48Å; M8-F63 HydrophobicContact CB-CD1 4.27Å; M8-F63 HydrophobicContact CB-CD2 3.85Å; M8-F63 HydrophobicContact CB-CE1 4.35Å; M8-F63 HydrophobicContact CB-CE2 3.95Å; M8-F63 HydrophobicContact CB-CG 4.03Å; M8-F63 HydrophobicContact CB-CZ 4.19Å; M8-F63 HydrophobicContact CG-CB 3.75Å; M8-F63 HydrophobicContact CG-CD1 3.85Å; M8-F63 HydrophobicContact CG-CD2 3.81Å; M8-F63 HydrophobicContact CG-CE1 4.41Å; M8-F63 HydrophobicContact CG-CE2 4.37Å; M8-F63 HydrophobicContact CG-CG 3.53Å; M8-F63 HydrophobicContact SD-CB 3.48Å; M8-F63 WeakPolarHBondContact SD-CB 3.5Å; M8-F63 HydrophobicContact SD-CD2 3.92Å; M8-F63 HydrophobicContact SD-CG 3.8Å; M8-W84 HydrophobicContact CB-CH2 4.08Å; M8-W84 HydrophobicContact CB-CZ2 3.7Å
9N93.4Very high79.7Confident76 Ų7680.3 Ų80.341%0.40643%0.434SS..  trans-132.5131.6-174.1-177.9-4.4000111.1E11 E12 Y13 F63N9-E11 PolarHBondContact O-N 3.37Å; N9-E11 WeakPolarHBondContact OD1-CB 3.48Å; N9-E11 PolarHBondContact OD1-N 2.81Å; N9-E12 HydrophobicContact CB-CG 4.12Å; N9-E12 WeakPolarHBondContact CB-OE1 3.46Å; N9-E12 PolarHBondContact O-N 3.42Å; N9-Y13 PolarHBondContact O-N 2.6Å; N9-F63 WeakPolarHBondContact O-CZ 3.47Å
10L96.4Very high80.5Confident33 Ų3385 Ų8517%0.17345%0.452CS..Hα-helixtrans-58.8-36176-83.1-179.4000112.6E12 Y13 F14 W84 V85 E88 M89L10-E12 PolarHBondContact O-N 3.24Å; L10-Y13 WeakPolarHBondContact O-CB 3.42Å; L10-Y13 PolarHBondContact O-N 2.89Å; L10-Y13 VanDerWaalsContact O-N 3.14Å; L10-F14 HydrophobicContact CB-CD2 4.45Å; L10-F14 HydrophobicContact CB-CE2 3.94Å; L10-F14 HydrophobicContact CB-CZ 4.29Å; L10-F14 HydrophobicContact CD1-CZ 4.46Å; L10-F14 HydrophobicContact CD2-CZ 4.25Å; L10-F14 WeakPolarHBondContact O-CD2 3.38Å; L10-F14 VanDerWaalsContact O-CG 3.32Å; L10-F14 WeakPolarHBondContact O-CG 3.29Å; L10-F14 PolarHBondContact O-N 2.8Å; L10-W84 HydrophobicContact CD2-CH2 4.07Å; L10-W84 HydrophobicContact CD2-CZ3 4.09Å; L10-W84 HydrophobicContact CG-CH2 4.32Å; L10-V85 HydrophobicContact CD2-CB 4.29Å; L10-V85 HydrophobicContact CD2-CG1 3.97Å; L10-V85 HydrophobicContact CD2-CG2 4.31Å; L10-E88 HydrophobicContact CD1-CB 3.66Å; L10-E88 HydrophobicContact CD2-CB 3.94Å; L10-E88 HydrophobicContact CG-CB 3.83Å; L10-M89 HydrophobicContact CD1-CG 4.01Å; L10-M89 HydrophobicContact CD2-CG 4.3Å
11E96.8Very high81Confident98 Ų9882.6 Ų82.646%0.45845%0.448SS..Hα-helixtrans-62.9-42-179.6-178.556.5-148.600111.7N9 Y13 F14 Q15N9-E11 PolarHBondContact O-N 3.37Å; N9-E11 WeakPolarHBondContact OD1-CB 3.48Å; N9-E11 PolarHBondContact OD1-N 2.81Å; E11-Y13 VanDerWaalsContact C-N 3.3Å; E11-Y13 PolarHBondContact O-N 3.3Å; E11-F14 PolarHBondContact O-N 3.39Å; E11-Q15 WeakPolarHBondContact O-CB 3.45Å; E11-Q15 VanDerWaalsContact O-CG 3.27Å; E11-Q15 WeakPolarHBondContact O-CG 3.17Å; E11-Q15 PolarHBondContact O-N 2.89Å; E11-Q15 PolarHBondContact OE1-NE2 2.95Å
12E97.8Very high83.4Confident51 Ų5173.9 Ų73.924%0.23841%0.41CS..Hα-helixtrans-62.6-39.3174.8-65.5178.5-111.400111N9 L10 Q15 R16 F63 V67 R68N9-E12 HydrophobicContact CB-CG 4.12Å; N9-E12 WeakPolarHBondContact CB-OE1 3.46Å; N9-E12 PolarHBondContact O-N 3.42Å; L10-E12 PolarHBondContact O-N 3.24Å; E12-Q15 PolarHBondContact O-N 3.43Å; E12-R16 WeakPolarHBondContact O-CB 3.47Å; E12-R16 PolarHBondContact O-N 2.86Å; E12-F63 HydrophobicContact CB-CE1 4.44Å; E12-F63 HydrophobicContact CB-CZ 3.95Å; E12-V67 HydrophobicContact CB-CG1 3.82Å; E12-V67 WeakPolarHBondContact O-CG1 3.47Å; E12-R68 IonicContact OE1-CZ 2.77Å; E12-R68 IonicContact OE1-NE 3.44Å; E12-R68 IonicContact OE1-NH2 3.83Å; E12-R68 PolarHBondContact OE1-NH2 3.11Å; E12-R68 WeakPolarHBondContact OE2-CG 3.35Å; E12-R68 IonicContact OE2-CZ 3.79Å; E12-R68 IonicContact OE2-NE 3.33Å; E12-R68 PolarHBondContact OE2-NE 3.4Å; E12-R68 IonicContact OE2-NH2 3.63Å; E12-R68 PolarHBondContact OE2-NH2 2.83Å
13Y98.4Very high85.8Confident0 Ų070.6 Ų70.60%039%0.387CS..Hα-helixtrans-64.8-44.1174.8170.8-89.6000111.8N9 L10 E11 Q15 R16 I17 H38 I42 V67 L81 F82 V85N9-Y13 PolarHBondContact O-N 2.6Å; L10-Y13 WeakPolarHBondContact O-CB 3.42Å; L10-Y13 PolarHBondContact O-N 2.89Å; L10-Y13 VanDerWaalsContact O-N 3.14Å; E11-Y13 VanDerWaalsContact C-N 3.3Å; E11-Y13 PolarHBondContact O-N 3.3Å; Y13-Q15 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.15Å; Y13-R16 WeakPolarHBondContact O-CB 3.42Å; Y13-R16 PolarHBondContact O-N 2.97Å; Y13-R16 VanDerWaalsContact O-N 3.13Å; Y13-I17 HydrophobicContact CD1-CD1 4.3Å; Y13-I17 HydrophobicContact CE1-CD1 3.5Å; Y13-I17 HydrophobicContact CE1-CG1 4.14Å; Y13-I17 HydrophobicContact CE1-CG2 4.37Å; Y13-I17 HydrophobicContact CE2-CG2 4.13Å; Y13-I17 PolarHBondContact O-N 2.99Å; Y13-I17 VanDerWaalsContact O-N 3.1Å; Y13-H38 AromaticContact CE2-ND1 3.62Å; Y13-H38 AromaticContact CZ-ND1 3.68Å; Y13-H38 PolarHBondContact OH-ND1 3.16Å; Y13-I42 HydrophobicContact CE2-CD1 4.24Å; Y13-V67 HydrophobicContact CD2-CG2 4.23Å; Y13-L81 HydrophobicContact CD2-CD2 4.26Å; Y13-L81 HydrophobicContact CD2-CG 4.42Å; Y13-L81 HydrophobicContact CE2-CD2 4.31Å; Y13-L81 HydrophobicContact CE2-CG 4.43Å; Y13-F82 WeakPolarHBondContact OH-CD2 3.37Å; Y13-V85 HydrophobicContact CD1-CB 4.5Å; Y13-V85 HydrophobicContact CD1-CG1 3.95Å; Y13-V85 HydrophobicContact CD1-CG2 3.67Å; Y13-V85 HydrophobicContact CD2-CG2 3.69Å; Y13-V85 HydrophobicContact CE1-CB 4.26Å; Y13-V85 HydrophobicContact CE1-CG1 3.62Å; Y13-V85 HydrophobicContact CE1-CG2 3.7Å; Y13-V85 HydrophobicContact CE2-CG2 3.68Å; Y13-V85 HydrophobicContact CG-CG2 3.67Å
14F98.5Very high88.3Confident8 Ų871.8 Ų71.84%0.03539%0.386CS..Hα-helixtrans-63-41177.5-65.1-34.6000111.8L10 E11 R16 I17 G18 F19 M89L10-F14 HydrophobicContact CB-CD2 4.45Å; L10-F14 HydrophobicContact CB-CE2 3.94Å; L10-F14 HydrophobicContact CB-CZ 4.29Å; L10-F14 HydrophobicContact CD1-CZ 4.46Å; L10-F14 HydrophobicContact CD2-CZ 4.25Å; L10-F14 WeakPolarHBondContact O-CD2 3.38Å; L10-F14 VanDerWaalsContact O-CG 3.32Å; L10-F14 WeakPolarHBondContact O-CG 3.29Å; L10-F14 PolarHBondContact O-N 2.8Å; E11-F14 PolarHBondContact O-N 3.39Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 2.82Å; F14-I17 CarbonylContact O-C 3.58Å; F14-I17 PolarHBondContact O-N 2.9Å; F14-G18 PolarHBondContact O-N 2.92Å; F14-F19 HydrophobicContact CB-CB 4.15Å; F14-F19 HydrophobicContact CB-CD1 4.26Å; F14-F19 HydrophobicContact CD1-CB 4.11Å; F14-F19 AromaticContact CD1-CD1 3.56Å; F14-F19 HydrophobicContact CD1-CD1 3.56Å; F14-F19 HydrophobicContact CD1-CE1 4.39Å; F14-F19 HydrophobicContact CD1-CG 4.2Å; F14-F19 HydrophobicContact CD2-CD1 4.31Å; F14-F19 AromaticContact CE1-CD1 3.92Å; F14-F19 HydrophobicContact CE1-CD1 3.92Å; F14-F19 HydrophobicContact CE1-CE1 4.34Å; F14-F19 HydrophobicContact CG-CB 4.41Å; F14-F19 AromaticContact CG-CD1 3.8Å; F14-F19 HydrophobicContact CG-CD1 3.8Å; F14-F19 HydrophobicContact CZ-CD1 4.44Å; F14-F19 PolarHBondContact O-N 3.41Å; F14-M89 HydrophobicContact CE1-CE 4.35Å; F14-M89 HydrophobicContact CE1-SD 3.9Å; F14-M89 HydrophobicContact CZ-CE 4.03Å; F14-M89 HydrophobicContact CZ-CG 4.07Å; F14-M89 HydrophobicContact CZ-SD 3.79Å
15Q98.3Very high90.5Very high122 Ų12271.4 Ų71.457%0.5737%0.37SS*.Hα-helixtrans-59.8-43.5171.5-70.7171.211.500111.5E11 E12 Y13 I17 G18E11-Q15 WeakPolarHBondContact O-CB 3.45Å; E11-Q15 VanDerWaalsContact O-CG 3.27Å; E11-Q15 WeakPolarHBondContact O-CG 3.17Å; E11-Q15 PolarHBondContact O-N 2.89Å; E11-Q15 PolarHBondContact OE1-NE2 2.95Å; E12-Q15 PolarHBondContact O-N 3.43Å; Y13-Q15 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.15Å; Q15-I17 VanDerWaalsContact C-N 3.27Å; Q15-I17 PolarHBondContact O-N 3.08Å; Q15-G18 PolarHBondContact O-N 2.86Å
16R98.3Very high92.8Very high28 Ų2867 Ų6711%0.10635%0.351CS..Hα-helixtrans-59.9-34.5178.6173.165.3-175.890.5-4.5113.5E12 Y13 F14 S41 I42 V66 V67 R71E12-R16 WeakPolarHBondContact O-CB 3.47Å; E12-R16 PolarHBondContact O-N 2.86Å; Y13-R16 WeakPolarHBondContact O-CB 3.42Å; Y13-R16 PolarHBondContact O-N 2.97Å; Y13-R16 VanDerWaalsContact O-N 3.13Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 2.82Å; R16-S41 VanDerWaalsContact CZ-O 3.26Å; R16-S41 PolarHBondContact NH1-O 2.86Å; R16-S41 PolarHBondContact NH2-O 2.93Å; R16-I42 HydrophobicContact CG-CD1 4.1Å; R16-I42 HydrophobicContact CG-CG1 4.21Å; R16-V66 WeakPolarHBondContact CD-O 3.47Å; R16-V66 PolarHBondContact NE-O 2.87Å; R16-V67 HydrophobicContact CB-CG1 3.97Å; R16-V67 HydrophobicContact CG-CG1 4.5Å; R16-R71 PolarHBondContact NH2-O 3.37Å
17I98.4Very high94.6Very high1 Ų167.6 Ų67.61%0.00534%0.344CS..Hα-helixtrans-98.9-1.6179.169.2165.5000113.4Y13 F14 Q15 F19 I34 L37 H38 S41 I42Y13-I17 HydrophobicContact CD1-CD1 4.3Å; Y13-I17 HydrophobicContact CE1-CD1 3.5Å; Y13-I17 HydrophobicContact CE1-CG1 4.14Å; Y13-I17 HydrophobicContact CE1-CG2 4.37Å; Y13-I17 HydrophobicContact CE2-CG2 4.13Å; Y13-I17 PolarHBondContact O-N 2.99Å; Y13-I17 VanDerWaalsContact O-N 3.1Å; F14-I17 CarbonylContact O-C 3.58Å; F14-I17 PolarHBondContact O-N 2.9Å; Q15-I17 VanDerWaalsContact C-N 3.27Å; Q15-I17 PolarHBondContact O-N 3.08Å; I17-F19 HydrophobicContact CD1-CB 3.85Å; I17-F19 HydrophobicContact CG1-CB 3.83Å; I17-I34 HydrophobicContact CD1-CB 4.31Å; I17-L37 HydrophobicContact CB-CB 4.14Å; I17-L37 HydrophobicContact CD1-CB 3.99Å; I17-L37 HydrophobicContact CG1-CB 4.27Å; I17-L37 WeakPolarHBondContact O-CB 2.99Å; I17-H38 HydrophobicContact CG2-CB 4.44Å; I17-S41 PolarHBondContact O-OG 3.49Å; I17-I42 HydrophobicContact CG2-CD1 3.61Å; I17-I42 HydrophobicContact CG2-CG1 4.27Å
18G98Very high95.3Very high33 Ų3359.3 Ų59.334%0.3432%0.315SS..THydrogen-bonded Turntrans67.231.7-176.100000114.2F14 Q15F14-G18 PolarHBondContact O-N 2.92Å; Q15-G18 PolarHBondContact O-N 2.86Å
19F98.1Very high95.5Very high17 Ų1760 Ų608%0.07533%0.328CS..  trans-85.3124.6175.6-178.7-107.7000110.8F14 I17 G21 T30 I34 L37F14-F19 HydrophobicContact CB-CB 4.15Å; F14-F19 HydrophobicContact CB-CD1 4.26Å; F14-F19 HydrophobicContact CD1-CB 4.11Å; F14-F19 AromaticContact CD1-CD1 3.56Å; F14-F19 HydrophobicContact CD1-CD1 3.56Å; F14-F19 HydrophobicContact CD1-CE1 4.39Å; F14-F19 HydrophobicContact CD1-CG 4.2Å; F14-F19 HydrophobicContact CD2-CD1 4.31Å; F14-F19 AromaticContact CE1-CD1 3.92Å; F14-F19 HydrophobicContact CE1-CD1 3.92Å; F14-F19 HydrophobicContact CE1-CE1 4.34Å; F14-F19 HydrophobicContact CG-CB 4.41Å; F14-F19 AromaticContact CG-CD1 3.8Å; F14-F19 HydrophobicContact CG-CD1 3.8Å; F14-F19 HydrophobicContact CZ-CD1 4.44Å; F14-F19 PolarHBondContact O-N 3.41Å; I17-F19 HydrophobicContact CD1-CB 3.85Å; I17-F19 HydrophobicContact CG1-CB 3.83Å; F19-G21 VanDerWaalsContact CE1-O 3.25Å; F19-G21 WeakPolarHBondContact CE1-O 3.31Å; F19-G21 VanDerWaalsContact CZ-CA 3.48Å; F19-T30 HydrophobicContact CZ-CG2 4.3Å; F19-I34 HydrophobicContact CD1-CG2 4.26Å; F19-I34 HydrophobicContact CD2-CG2 3.93Å; F19-I34 HydrophobicContact CE1-CG2 4.23Å; F19-I34 HydrophobicContact CE2-CG2 3.9Å; F19-I34 HydrophobicContact CG-CG2 4.09Å; F19-I34 HydrophobicContact CZ-CG2 4.05Å; F19-L37 HydrophobicContact CB-CD1 3.75Å; F19-L37 HydrophobicContact CD2-CD1 3.71Å; F19-L37 HydrophobicContact CG-CD1 4.23Å
20H95.2Very high95.7Very high174 Ų17456.8 Ų56.881%0.80631%0.311SS*.  trans-124.513.3178.5-55.4-61.6000112.6
21G90.8Very high95.8Very high35 Ų3555.2 Ų55.236%0.36130%0.303SS..SBendtrans-84176.4-179.200000113.1F19 S23F19-G21 VanDerWaalsContact CE1-O 3.25Å; F19-G21 WeakPolarHBondContact CE1-O 3.31Å; F19-G21 VanDerWaalsContact CZ-CA 3.48Å; G21-S23 PolarHBondContact O-N 2.83Å
22P88.7Confident95.9Very high68 Ų6855.5 Ų55.544%0.44230%0.3SS..  trans-66.2117.8174.427.3-32.7000110.7D24 K25P22-D24 WeakPolarHBondContact CB-OD1 3.41Å; P22-K25 HydrophobicContact CB-CD 4.34Å; P22-K25 HydrophobicContact CB-CG 4.44Å; P22-K25 HydrophobicContact CG-CD 4.14Å
23S87.4Confident95.9Very high53 Ų5355.7 Ų55.737%0.37131%0.306SS..SBendtrans-89.8-5.8-179.5620000114G21G21-S23 PolarHBondContact O-N 2.83Å
24D89.6Confident95.9Very high122 Ų12255.7 Ų55.765%0.65231%0.306SS*.SBendtrans-88.7-0.7-179.364.7-35.1000113.5P22 M26P22-D24 WeakPolarHBondContact CB-OD1 3.41Å; D24-M26 VanDerWaalsContact O-SD 3.42Å
25K91.7Very high95.9Very high105 Ų10555.3 Ų55.346%0.45731%0.305SS..  trans-105.7114.6-179.6-65.8-173.6-179.6-176.80111.8P22 D27 T30P22-K25 HydrophobicContact CB-CD 4.34Å; P22-K25 HydrophobicContact CB-CG 4.44Å; P22-K25 HydrophobicContact CG-CD 4.14Å; K25-D27 PolarHBondContact O-N 3.28Å; K25-D27 VanDerWaalsContact O-N 3.16Å; K25-T30 WeakPolarHBondContact O-CB 3.37Å; K25-T30 WeakPolarHBondContact O-CG2 3.42Å; K25-T30 PolarHBondContact O-OG1 2.75Å; K25-T30 VanDerWaalsContact O-OG1 3.04Å
26M95.8Very high95.9Very high92 Ų9253.3 Ų53.345%0.45329%0.294SS..  trans-89.144.8176.4-61.975.17800112.1D24 M89 F91D24-M26 VanDerWaalsContact O-SD 3.42Å; M26-M89 WeakPolarHBondContact CG-O 3.32Å; M26-F91 HydrophobicContact CB-CD1 3.96Å; M26-F91 HydrophobicContact CB-CE1 3.92Å; M26-F91 HydrophobicContact CB-CG 4.33Å; M26-F91 HydrophobicContact CB-CZ 4.27Å; M26-F91 HydrophobicContact CG-CD1 4.46Å; M26-F91 HydrophobicContact CG-CD2 4.35Å; M26-F91 HydrophobicContact CG-CG 4.33Å
27D97.4Very high95.9Very high53 Ų5354.4 Ų54.428%0.28330%0.302SS..SBendtrans-99.7170.1179.471.639.2000112.4K25 A29 T30 L31K25-D27 PolarHBondContact O-N 3.28Å; K25-D27 VanDerWaalsContact O-N 3.16Å; D27-A29 VanDerWaalsContact C-N 3.28Å; D27-A29 PolarHBondContact O-N 3.08Å; D27-A29 WeakPolarHBondContact OD1-CA 3.29Å; D27-A29 WeakPolarHBondContact OD1-CB 3.37Å; D27-A29 PolarHBondContact OD1-N 3.31Å; D27-T30 PolarHBondContact O-N 3.06Å; D27-T30 PolarHBondContact OD1-N 3.2Å; D27-T30 PolarHBondContact OD1-OG1 3.05Å; D27-L31 PolarHBondContact O-N 3.3Å; D27-L31 VanDerWaalsContact O-N 3.1Å
28L98.1Very high95.9Very high33 Ų3354.3 Ų54.317%0.17330%0.302CS..Hα-helixtrans-66.7-29.1-178.5-17862000112.6L31 R32 I121 Y126L28-L31 PolarHBondContact O-N 3.12Å; L28-R32 HydrophobicContact CD1-CG 4.36Å; L28-R32 HydrophobicContact CG-CG 4.42Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 VanDerWaalsContact O-CG 3.29Å; L28-R32 WeakPolarHBondContact O-CG 3.43Å; L28-R32 PolarHBondContact O-N 3.27Å; L28-I121 HydrophobicContact CB-CD1 4.34Å; L28-I121 HydrophobicContact CD1-CD1 4.34Å; L28-Y126 HydrophobicContact CD1-CD1 3.97Å; L28-Y126 HydrophobicContact CD1-CE1 3.74Å; L28-Y126 HydrophobicContact CD1-CE2 4.33Å; L28-Y126 HydrophobicContact CD1-CG 4.37Å; L28-Y126 HydrophobicContact CD2-CE1 3.93Å; L28-Y126 HydrophobicContact CG-CE1 4.49Å
29A97.7Very high96Very high59 Ų5953 Ų5349%0.48829%0.287SS..Hα-helixtrans-70.6-41.8-179.800000110.8D27 S33D27-A29 VanDerWaalsContact C-N 3.28Å; D27-A29 PolarHBondContact O-N 3.08Å; D27-A29 WeakPolarHBondContact OD1-CA 3.29Å; D27-A29 WeakPolarHBondContact OD1-CB 3.37Å; D27-A29 PolarHBondContact OD1-N 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.41Å; A29-S33 PolarHBondContact O-N 3.09Å; A29-S33 PolarHBondContact O-OG 2.85Å
30T98.2Very high96Very high8 Ų854 Ų545%0.04929%0.292CS..Hα-helixtrans-61.4-49.5171.4-59.60000110.5F19 K25 D27 R32 S33 I34 M89 F91F19-T30 HydrophobicContact CZ-CG2 4.3Å; K25-T30 WeakPolarHBondContact O-CB 3.37Å; K25-T30 WeakPolarHBondContact O-CG2 3.42Å; K25-T30 PolarHBondContact O-OG1 2.75Å; K25-T30 VanDerWaalsContact O-OG1 3.04Å; D27-T30 PolarHBondContact O-N 3.06Å; D27-T30 PolarHBondContact OD1-N 3.2Å; D27-T30 PolarHBondContact OD1-OG1 3.05Å; T30-R32 PolarHBondContact O-N 2.96Å; T30-S33 WeakPolarHBondContact O-CB 3.36Å; T30-S33 PolarHBondContact O-N 3.49Å; T30-S33 VanDerWaalsContact O-N 3.09Å; T30-I34 HydrophobicContact CG2-CG2 4.42Å; T30-I34 WeakPolarHBondContact O-CG1 3.4Å; T30-I34 PolarHBondContact O-N 3.02Å; T30-M89 HydrophobicContact CG2-CE 3.6Å; T30-F91 HydrophobicContact CG2-CZ 4.34Å
31L98.4Very high96.2Very high0 Ų047.2 Ų47.20%026%0.264CS..Hα-helixtrans-59.1-44.4-179.8-177.562.8000112.1D27 L28 S33 I34 H35 F82 L86 F91 V119 I121 P141D27-L31 PolarHBondContact O-N 3.3Å; D27-L31 VanDerWaalsContact O-N 3.1Å; L28-L31 PolarHBondContact O-N 3.12Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 2.84Å; L31-I34 HydrophobicContact CD1-CD1 4.2Å; L31-I34 HydrophobicContact CD1-CG1 4.43Å; L31-I34 WeakPolarHBondContact O-CG1 3.37Å; L31-H35 WeakPolarHBondContact O-CB 3.23Å; L31-H35 PolarHBondContact O-N 2.93Å; L31-F82 HydrophobicContact CD1-CE1 4.48Å; L31-F82 HydrophobicContact CD1-CZ 4.25Å; L31-L86 HydrophobicContact CD1-CD2 3.36Å; L31-F91 HydrophobicContact CB-CE1 4.01Å; L31-F91 HydrophobicContact CB-CZ 3.96Å; L31-V119 HydrophobicContact CD2-CB 4.13Å; L31-V119 HydrophobicContact CD2-CG1 4.13Å; L31-V119 HydrophobicContact CD2-CG2 4.29Å; L31-I121 HydrophobicContact CB-CD1 4.08Å; L31-I121 HydrophobicContact CD2-CD1 3.69Å; L31-P141 HydrophobicContact CB-CG 4.48Å; L31-P141 HydrophobicContact CD1-CG 4.45Å; L31-P141 HydrophobicContact CD2-CB 4.02Å; L31-P141 HydrophobicContact CD2-CG 3.51Å; L31-P141 HydrophobicContact CG-CG 3.5Å
32R98.3Very high96.5Very high104 Ų10445.7 Ų45.739%0.39225%0.248SC..Hα-helixtrans-58.7-44.7174.2-80175.3166146.46112L28 T30 K36 E140L28-R32 HydrophobicContact CD1-CG 4.36Å; L28-R32 HydrophobicContact CG-CG 4.42Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 VanDerWaalsContact O-CG 3.29Å; L28-R32 WeakPolarHBondContact O-CG 3.43Å; L28-R32 PolarHBondContact O-N 3.27Å; T30-R32 PolarHBondContact O-N 2.96Å; R32-K36 VanDerWaalsContact O-CB 3.26Å; R32-K36 WeakPolarHBondContact O-CB 3.46Å; R32-K36 PolarHBondContact O-N 2.92Å; R32-E140 HydrophobicContact CB-CG 4.34Å; R32-E140 WeakPolarHBondContact CD-OE2 3.45Å; R32-E140 HydrophobicContact CG-CB 4.17Å; R32-E140 HydrophobicContact CG-CG 4.08Å; R32-E140 IonicContact CZ-OE2 2.71Å; R32-E140 IonicContact NE-OE2 3.54Å; R32-E140 PolarHBondContact NE-OE2 3.46Å
33S98.1Very high97Very high54 Ų5442.4 Ų42.438%0.37823%0.227SC..Hα-helixtrans-64.2-51.9-177.1-59.60000111.6A29 T30 L31 H35 K36 L37A29-S33 WeakPolarHBondContact O-CB 3.41Å; A29-S33 PolarHBondContact O-N 3.09Å; A29-S33 PolarHBondContact O-OG 2.85Å; T30-S33 WeakPolarHBondContact O-CB 3.36Å; T30-S33 PolarHBondContact O-N 3.49Å; T30-S33 VanDerWaalsContact O-N 3.09Å; L31-S33 VanDerWaalsContact C-N 3.33Å; L31-S33 PolarHBondContact O-N 2.84Å; S33-H35 VanDerWaalsContact C-N 3.35Å; S33-H35 PolarHBondContact O-N 2.82Å; S33-K36 PolarHBondContact O-N 3.46Å; S33-L37 WeakPolarHBondContact O-CB 3.3Å; S33-L37 VanDerWaalsContact O-CG 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.38Å; S33-L37 PolarHBondContact O-N 2.77Å
34I98.4Very high97.6Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-66-37.518066.1180000111.8I17 F19 T30 L31 H38 F82 L86 M89 F91I17-I34 HydrophobicContact CD1-CB 4.31Å; F19-I34 HydrophobicContact CD1-CG2 4.26Å; F19-I34 HydrophobicContact CD2-CG2 3.93Å; F19-I34 HydrophobicContact CE1-CG2 4.23Å; F19-I34 HydrophobicContact CE2-CG2 3.9Å; F19-I34 HydrophobicContact CG-CG2 4.09Å; F19-I34 HydrophobicContact CZ-CG2 4.05Å; T30-I34 HydrophobicContact CG2-CG2 4.42Å; T30-I34 WeakPolarHBondContact O-CG1 3.4Å; T30-I34 PolarHBondContact O-N 3.02Å; L31-I34 HydrophobicContact CD1-CD1 4.2Å; L31-I34 HydrophobicContact CD1-CG1 4.43Å; L31-I34 WeakPolarHBondContact O-CG1 3.37Å; I34-H38 WeakPolarHBondContact O-CB 3.44Å; I34-H38 PolarHBondContact O-N 3.1Å; I34-F82 HydrophobicContact CD1-CE2 4.28Å; I34-F82 HydrophobicContact CD1-CZ 4.24Å; I34-F82 HydrophobicContact CG1-CE2 4.13Å; I34-F82 HydrophobicContact CG1-CZ 4.11Å; I34-L86 HydrophobicContact CD1-CD2 4.25Å; I34-M89 HydrophobicContact CD1-CE 4.26Å; I34-M89 HydrophobicContact CD1-SD 3.71Å; I34-M89 HydrophobicContact CG2-CE 4.49Å; I34-F91 HydrophobicContact CD1-CE2 4.32Å
35H98.8Very high98Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-63.7-48.5178.2-171.4-63.2000111L31 S33 H38 V39 F82 D129 I138 W139 P141L31-H35 WeakPolarHBondContact O-CB 3.23Å; L31-H35 PolarHBondContact O-N 2.93Å; S33-H35 VanDerWaalsContact C-N 3.35Å; S33-H35 PolarHBondContact O-N 2.82Å; H35-H38 PolarHBondContact O-N 2.9Å; H35-V39 PolarHBondContact O-N 3.4Å; H35-F82 HydrophobicContact CB-CZ 4.21Å; H35-D129 PolarHBondContact CE1-O 3.5Å; H35-D129 PolarHBondContact NE2-N 2.86Å; H35-D129 VanDerWaalsContact NE2-N 3.19Å; H35-D129 PolarHBondContact NE2-O 3.5Å; H35-D129 VanDerWaalsContact NE2-O 3.17Å; H35-I138 PolarHBondContact CE1-O 3.3Å; H35-I138 VanDerWaalsContact CE1-O 3.29Å; H35-W139 PolarHBondContact ND1-O 3.29Å; H35-P141 HydrophobicContact CB-CG 4.5Å
36K98.7Very high98.3Very high80 Ų8029.8 Ų29.835%0.34816%0.159SC..Hα-helixtrans-63.5-44.8179.3-174.8175.4-179.71770111.8R32 S33 V39 M40 W139R32-K36 VanDerWaalsContact O-CB 3.26Å; R32-K36 WeakPolarHBondContact O-CB 3.46Å; R32-K36 PolarHBondContact O-N 2.92Å; S33-K36 PolarHBondContact O-N 3.46Å; K36-V39 VanDerWaalsContact O-CG2 3.22Å; K36-V39 WeakPolarHBondContact O-CG2 3.38Å; K36-V39 PolarHBondContact O-N 2.85Å; K36-M40 HydrophobicContact CD-CE 4.23Å; K36-M40 HydrophobicContact CG-CE 3.78Å; K36-M40 HydrophobicContact CG-SD 3.95Å; K36-M40 WeakPolarHBondContact O-CB 3.47Å; K36-M40 VanDerWaalsContact O-CG 3.26Å; K36-M40 WeakPolarHBondContact O-CG 3.31Å; K36-M40 PolarHBondContact O-N 2.82Å; K36-W139 WeakPolarHBondContact CA-O 3.39Å; K36-W139 PolarHBondContact N-O 3.1Å
37L98.8Very high98.4Very high51 Ų5125.5 Ų25.527%0.26714%0.138SC..Hα-helixtrans-63.7-41.7177.1-73.7172.3000111.6I17 F19 S33 V39 M40 S41I17-L37 HydrophobicContact CB-CB 4.14Å; I17-L37 HydrophobicContact CD1-CB 3.99Å; I17-L37 HydrophobicContact CG1-CB 4.27Å; I17-L37 WeakPolarHBondContact O-CB 2.99Å; F19-L37 HydrophobicContact CB-CD1 3.75Å; F19-L37 HydrophobicContact CD2-CD1 3.71Å; F19-L37 HydrophobicContact CG-CD1 4.23Å; S33-L37 WeakPolarHBondContact O-CB 3.3Å; S33-L37 VanDerWaalsContact O-CG 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.38Å; S33-L37 PolarHBondContact O-N 2.77Å; L37-V39 PolarHBondContact O-N 2.83Å; L37-M40 PolarHBondContact O-N 3.06Å; L37-S41 VanDerWaalsContact O-CB 3.32Å; L37-S41 WeakPolarHBondContact O-CB 2.92Å; L37-S41 PolarHBondContact O-N 3.39Å; L37-S41 PolarHBondContact O-OG 3.34Å; L37-S41 VanDerWaalsContact O-OG 3.07Å
38H98.8Very high98.4Very high0 Ų023.1 Ų23.10%013%0.126CC..Hα-helixtrans-56.4-52.9176-172.5104.9000112Y13 I17 I34 H35 M40 S41 I42 V130Y13-H38 AromaticContact CE2-ND1 3.62Å; Y13-H38 AromaticContact CZ-ND1 3.68Å; Y13-H38 PolarHBondContact OH-ND1 3.16Å; I17-H38 HydrophobicContact CG2-CB 4.44Å; I34-H38 WeakPolarHBondContact O-CB 3.44Å; I34-H38 PolarHBondContact O-N 3.1Å; H35-H38 PolarHBondContact O-N 2.9Å; H38-M40 PolarHBondContact O-N 2.9Å; H38-S41 PolarHBondContact O-N 2.91Å; H38-S41 VanDerWaalsContact O-N 3.15Å; H38-I42 WeakPolarHBondContact CE1-CD1 3.21Å; H38-I42 WeakPolarHBondContact ND1-CD1 3.35Å; H38-I42 PolarHBondContact O-N 2.79Å; H38-V130 HydrophobicContact CB-CB 4.41Å; H38-V130 HydrophobicContact CB-CG1 4.23Å; H38-V130 VanDerWaalsContact CD2-CB 3.42Å; H38-V130 WeakPolarHBondContact CD2-CB 3.42Å; H38-V130 VanDerWaalsContact CD2-CG2 3.47Å; H38-V130 WeakPolarHBondContact CD2-CG2 3.2Å; H38-V130 WeakPolarHBondContact NE2-CG2 3.37Å
39V98.7Very high98.4Very high4 Ų423 Ų232%0.02413%0.125CC..Hα-helixtrans-67.4-20-176.6-57.90000113.2H35 K36 L37 V130 Q137 Q233H35-V39 PolarHBondContact O-N 3.4Å; K36-V39 VanDerWaalsContact O-CG2 3.22Å; K36-V39 WeakPolarHBondContact O-CG2 3.38Å; K36-V39 PolarHBondContact O-N 2.85Å; L37-V39 PolarHBondContact O-N 2.83Å; V39-V130 HydrophobicContact CG1-CB 3.92Å; V39-V130 HydrophobicContact CG1-CG1 4.25Å; V39-Q137 HydrophobicContact CB-CG 4.09Å; V39-Q137 HydrophobicContact CG1-CG 3.94Å; V39-Q233 HydrophobicContact CB-CB 4.46Å; V39-Q233 HydrophobicContact CB-CG 3.91Å; V39-Q233 HydrophobicContact CG2-CB 4.27Å; V39-Q233 HydrophobicContact CG2-CG 4.01Å; V39-Q233 VanDerWaalsContact O-CB 3.25Å; V39-Q233 WeakPolarHBondContact O-CB 3.5Å; V39-Q233 WeakPolarHBondContact O-CG 3.19Å; V39-Q233 PolarHBondContact O-N 3.35Å; V39-Q233 VanDerWaalsContact O-N 3.13Å
40M98.5Very high98.4Very high39 Ų3920.9 Ų20.919%0.19211%0.105CC..Hα-helixtrans-91.2-17.6176.9-70.3-178.7175.700113.7K36 L37 H38 W139 L232 Q233K36-M40 HydrophobicContact CD-CE 4.23Å; K36-M40 HydrophobicContact CG-CE 3.78Å; K36-M40 HydrophobicContact CG-SD 3.95Å; K36-M40 WeakPolarHBondContact O-CB 3.47Å; K36-M40 VanDerWaalsContact O-CG 3.26Å; K36-M40 WeakPolarHBondContact O-CG 3.31Å; K36-M40 PolarHBondContact O-N 2.82Å; L37-M40 PolarHBondContact O-N 3.06Å; H38-M40 PolarHBondContact O-N 2.9Å; M40-W139 HydrophobicContact CE-CD2 4.04Å; M40-W139 HydrophobicContact CE-CE3 3.7Å; M40-W139 HydrophobicContact CE-CH2 3.91Å; M40-W139 HydrophobicContact CE-CZ2 4.22Å; M40-W139 HydrophobicContact CE-CZ3 3.64Å; M40-L232 WeakPolarHBondContact O-CD1 3.17Å; M40-Q233 WeakPolarHBondContact CA-O 3.26Å; M40-Q233 HydrophobicContact CG-CB 4.2Å
41S98.6Very high98.4Very high32 Ų3221.2 Ų21.222%0.22411%0.107CC..Hα-helixtrans-112.3-30.5-176.2-59.50000113.5R16 I17 L37 H38R16-S41 VanDerWaalsContact CZ-O 3.26Å; R16-S41 PolarHBondContact NH1-O 2.86Å; R16-S41 PolarHBondContact NH2-O 2.93Å; I17-S41 PolarHBondContact O-OG 3.49Å; L37-S41 VanDerWaalsContact O-CB 3.32Å; L37-S41 WeakPolarHBondContact O-CB 2.92Å; L37-S41 PolarHBondContact O-N 3.39Å; L37-S41 PolarHBondContact O-OG 3.34Å; L37-S41 VanDerWaalsContact O-OG 3.07Å; H38-S41 PolarHBondContact O-N 2.91Å; H38-S41 VanDerWaalsContact O-N 3.15Å
42I98.8Very high98.2Very high2 Ų224.7 Ų24.71%0.0114%0.143CC..SBendtrans-112.4115.1-174.6-65.5166.3000108.9Y13 R16 I17 H38 V66Y13-I42 HydrophobicContact CE2-CD1 4.24Å; R16-I42 HydrophobicContact CG-CD1 4.1Å; R16-I42 HydrophobicContact CG-CG1 4.21Å; I17-I42 HydrophobicContact CG2-CD1 3.61Å; I17-I42 HydrophobicContact CG2-CG1 4.27Å; H38-I42 WeakPolarHBondContact CE1-CD1 3.21Å; H38-I42 WeakPolarHBondContact ND1-CD1 3.35Å; H38-I42 PolarHBondContact O-N 2.79Å; I42-V66 HydrophobicContact CB-CG1 4.49Å; I42-V66 HydrophobicContact CD1-CG1 3.74Å; I42-V66 HydrophobicContact CG1-CG1 4.05Å; I42-V66 HydrophobicContact CG2-CG1 3.6Å
43P98.7Very high98.1Very high0 Ų022 Ų220%014%0.135CC..  trans-65.4145179.4-22.232.7000113.1E45 G72 G73 N78 S231 L232 F278 V280P43-E45 HydrophobicContact CB-CB 4.47Å; P43-E45 HydrophobicContact CB-CG 4.34Å; P43-G72 WeakPolarHBondContact O-CA 3.39Å; P43-G73 PolarHBondContact O-N 2.9Å; P43-N78 PolarHBondContact O-ND2 2.94Å; P43-S231 CarbonylContact C-O 3.59Å; P43-S231 VanDerWaalsContact CA-O 3.25Å; P43-S231 WeakPolarHBondContact CA-O 3.43Å; P43-L232 HydrophobicContact CG-CD1 4.14Å; P43-F278 HydrophobicContact CG-CB 4.32Å; P43-V280 HydrophobicContact CG-CG2 3.88Å
44F98.8Very high97.9Very high14 Ų1425 Ų256%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-78.2112.6156.4165.7-101.7000108.1G73 W74 S131 F224 I229 C230 S231F44-G73 WeakPolarHBondContact CA-O 2.92Å; F44-W74 HydrophobicContact CE2-CB 4.25Å; F44-S131 WeakPolarHBondContact CD2-O 3.25Å; F44-S131 WeakPolarHBondContact CD2-OG 3.43Å; F44-F224 HydrophobicContact CE2-CE1 4.23Å; F44-F224 AromaticContact CZ-CE1 3.78Å; F44-F224 HydrophobicContact CZ-CE1 3.78Å; F44-F224 HydrophobicContact CZ-CZ 4.25Å; F44-I229 HydrophobicContact CD1-CG2 4Å; F44-I229 HydrophobicContact CE1-CG2 3.72Å; F44-C230 CarbonylContact O-C 3.58Å; F44-C230 WeakPolarHBondContact O-CA 3.36Å; F44-S231 PolarHBondContact N-O 2.83Å; F44-S231 PolarHBondContact O-N 2.81Å
45E98.6Very high97.8Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-150.4152.8-174.56492.4163.400113.9P43 L47 R71 G72 G73 W74 I229 C230P43-E45 HydrophobicContact CB-CB 4.47Å; P43-E45 HydrophobicContact CB-CG 4.34Å; E45-L47 HydrophobicContact CB-CD1 4.48Å; E45-L47 HydrophobicContact CB-CG 4.19Å; E45-L47 WeakPolarHBondContact OE2-CB 3.33Å; E45-L47 PolarHBondContact OE2-N 2.82Å; E45-R71 IonicContact OE1-CZ 3.74Å; E45-R71 IonicContact OE1-NE 2.87Å; E45-R71 PolarHBondContact OE1-NE 2.83Å; E45-R71 VanDerWaalsContact OE1-NE 3.11Å; E45-R71 IonicContact OE1-NH2 3.42Å; E45-R71 PolarHBondContact OE1-NH2 2.78Å; E45-R71 IonicContact OE2-NH2 3.54Å; E45-R71 PolarHBondContact OE2-NH2 3.5Å; E45-G72 VanDerWaalsContact OE1-C 3.3Å; E45-G72 PolarHBondContact OE1-N 2.72Å; E45-G73 PolarHBondContact N-O 2.76Å; E45-G73 CarbonylContact O-C 3.57Å; E45-G73 WeakPolarHBondContact O-CA 3.23Å; E45-W74 WeakPolarHBondContact O-CA 3.46Å; E45-W74 PolarHBondContact O-N 2.95Å; E45-I229 WeakPolarHBondContact CA-O 3.31Å; E45-I229 WeakPolarHBondContact CB-O 3.48Å; E45-C230 HydrophobicContact CB-CB 4.09Å
46N98.3Very high97.5Very high0 Ų027.2 Ų27.20%015%0.152CC..  trans-125.923.9175.172.1-27.4000112.8S48 I49 H50 F224 K227 I229N46-S48 PolarHBondContact O-N 3.32Å; N46-I49 HydrophobicContact CB-CD1 4.21Å; N46-I49 WeakPolarHBondContact O-CB 3.12Å; N46-I49 PolarHBondContact O-N 2.8Å; N46-I49 VanDerWaalsContact O-N 3.11Å; N46-H50 PolarHBondContact ND2-NE2 2.89Å; N46-H50 PolarHBondContact O-CD2 3.47Å; N46-F224 HydrophobicContact CB-CD1 3.84Å; N46-F224 WeakPolarHBondContact ND2-CA 3.41Å; N46-F224 PolarHBondContact ND2-O 2.92Å; N46-K227 PolarHBondContact ND2-O 2.96Å; N46-I229 PolarHBondContact N-O 3.06Å; N46-I229 VanDerWaalsContact N-O 3.1Å; N46-I229 PolarHBondContact OD1-N 3.12Å; N46-I229 PolarHBondContact OD1-O 3.46Å
47L98.4Very high97.4Very high2 Ų224.1 Ų24.11%0.0114%0.139CC..Hα-helixtrans-62-28.7-171.2-57.5177.2000112.3E45 I49 H50 C51 C230 L274 V280 L282 L286E45-L47 HydrophobicContact CB-CD1 4.48Å; E45-L47 HydrophobicContact CB-CG 4.19Å; E45-L47 WeakPolarHBondContact OE2-CB 3.33Å; E45-L47 PolarHBondContact OE2-N 2.82Å; L47-I49 VanDerWaalsContact C-N 3.26Å; L47-I49 PolarHBondContact O-N 3Å; L47-H50 CarbonylContact O-C 3.48Å; L47-H50 WeakPolarHBondContact O-CA 3.42Å; L47-H50 PolarHBondContact O-N 3.33Å; L47-C51 WeakPolarHBondContact O-CB 3.48Å; L47-C51 PolarHBondContact O-N 2.8Å; L47-C51 PolarHBondContact O-SG 2.95Å; L47-C51 VanDerWaalsContact O-SG 3.4Å; L47-C230 HydrophobicContact CD1-CB 4.2Å; L47-C230 HydrophobicContact CD2-CB 4.45Å; L47-L274 HydrophobicContact CD1-CD1 4.18Å; L47-L274 HydrophobicContact CD1-CD2 3.65Å; L47-V280 HydrophobicContact CD1-CG1 4.07Å; L47-L282 HydrophobicContact CB-CD2 4.13Å; L47-L282 HydrophobicContact CD1-CD1 4.47Å; L47-L282 HydrophobicContact CD1-CD2 4.17Å; L47-L286 HydrophobicContact CB-CD1 4.32Å; L47-L286 HydrophobicContact CD2-CD1 3.99Å; L47-L286 HydrophobicContact CD2-CD2 4.12Å
48S97.9Very high97.3Very high4 Ų425.4 Ų25.43%0.02815%0.146CC..Hα-helixtrans-52.6-42.9174-75.60000112.3N46 H50 C51 G52 E53 K65 R71N46-S48 PolarHBondContact O-N 3.32Å; S48-H50 VanDerWaalsContact C-N 3.27Å; S48-H50 PolarHBondContact O-N 3.02Å; S48-C51 CarbonylContact O-C 3.51Å; S48-C51 PolarHBondContact O-N 2.97Å; S48-C51 VanDerWaalsContact O-N 3.14Å; S48-G52 PolarHBondContact O-N 3.44Å; S48-E53 CarbonylContact C-O 3.6Å; S48-E53 WeakPolarHBondContact CA-OE2 3.15Å; S48-E53 WeakPolarHBondContact CB-OE2 3.38Å; S48-E53 WeakPolarHBondContact O-CA 3.06Å; S48-E53 WeakPolarHBondContact O-CB 3.32Å; S48-E53 PolarHBondContact O-N 2.79Å; S48-E53 PolarHBondContact OG-OE2 3.09Å; S48-K65 PolarHBondContact OG-NZ 2.84Å; S48-R71 PolarHBondContact OG-NH2 3.19Å; S48-R71 VanDerWaalsContact OG-NH2 3.1Å
49I97.4Very high97.2Very high30 Ų3026.6 Ų26.615%0.15415%0.152CC..Hα-helixtrans-58.5-42.7176.9-60.2174.4000110.8N46 L47 C51 G52 I55 W74 Q217 F224N46-I49 HydrophobicContact CB-CD1 4.21Å; N46-I49 WeakPolarHBondContact O-CB 3.12Å; N46-I49 PolarHBondContact O-N 2.8Å; N46-I49 VanDerWaalsContact O-N 3.11Å; L47-I49 VanDerWaalsContact C-N 3.26Å; L47-I49 PolarHBondContact O-N 3Å; I49-C51 VanDerWaalsContact C-N 3.31Å; I49-C51 PolarHBondContact O-N 2.99Å; I49-G52 PolarHBondContact O-N 3.46Å; I49-I55 HydrophobicContact CD1-CD1 4.03Å; I49-I55 HydrophobicContact CG1-CD1 3.76Å; I49-I55 HydrophobicContact CG1-CG1 4.35Å; I49-W74 HydrophobicContact CD1-CE3 4.26Å; I49-W74 HydrophobicContact CD1-CH2 4.4Å; I49-W74 HydrophobicContact CD1-CZ3 3.78Å; I49-Q217 HydrophobicContact CD1-CB 3.66Å; I49-Q217 HydrophobicContact CG1-CB 4.01Å; I49-F224 HydrophobicContact CD1-CB 3.98Å
50H97.9Very high97.1Very high14 Ų1430.8 Ų30.87%0.06517%0.172CC..Hα-helixtrans-82.3-10-176.3-61.6-74000113.5N46 L47 S48 F224 K227 S228 L286 K287 V289N46-H50 PolarHBondContact ND2-NE2 2.89Å; N46-H50 PolarHBondContact O-CD2 3.47Å; L47-H50 CarbonylContact O-C 3.48Å; L47-H50 WeakPolarHBondContact O-CA 3.42Å; L47-H50 PolarHBondContact O-N 3.33Å; S48-H50 VanDerWaalsContact C-N 3.27Å; S48-H50 PolarHBondContact O-N 3.02Å; H50-F224 PolarHBondContact CE1-O 2.88Å; H50-F224 PolarHBondContact NE2-O 3Å; H50-K227 PolarHBondContact NE2-O 3.02Å; H50-K227 VanDerWaalsContact NE2-O 3.11Å; H50-S228 VanDerWaalsContact CD2-CA 3.49Å; H50-S228 WeakPolarHBondContact CD2-CA 3.44Å; H50-S228 VanDerWaalsContact CD2-CB 3.48Å; H50-S228 WeakPolarHBondContact CD2-CB 3.41Å; H50-S228 WeakPolarHBondContact NE2-CA 3.26Å; H50-S228 PolarHBondContact NE2-N 3.14Å; H50-L286 HydrophobicContact CB-CD1 3.48Å; H50-L286 VanDerWaalsContact CB-CD1 3.48Å; H50-K287 WeakPolarHBondContact CB-O 3.36Å; H50-K287 PolarHBondContact O-N 2.8Å; H50-V289 WeakPolarHBondContact ND1-CG2 3.36Å
51C97.2Very high97.1Very high15 Ų1532.1 Ų32.110%0.10118%0.182CC..THydrogen-bonded Turntrans-93.9-1.6169.2-74.80000112.7L47 S48 I49 E53 N284L47-C51 WeakPolarHBondContact O-CB 3.48Å; L47-C51 PolarHBondContact O-N 2.8Å; L47-C51 PolarHBondContact O-SG 2.95Å; L47-C51 VanDerWaalsContact O-SG 3.4Å; S48-C51 CarbonylContact O-C 3.51Å; S48-C51 PolarHBondContact O-N 2.97Å; S48-C51 VanDerWaalsContact O-N 3.14Å; I49-C51 VanDerWaalsContact C-N 3.31Å; I49-C51 PolarHBondContact O-N 2.99Å; C51-E53 VanDerWaalsContact C-N 3.31Å; C51-E53 HydrophobicContact CB-CG 4.12Å; C51-N284 HydrophobicContact CB-CB 4.04Å; C51-N284 PolarHBondContact SG-O 3.35Å; C51-N284 VanDerWaalsContact SG-O 3.34Å
52G95.6Very high97Very high73 Ų7330.6 Ų30.675%0.75317%0.171SC*.THydrogen-bonded Turntrans77.115.5-175.100000114.1S48 I49S48-G52 PolarHBondContact O-N 3.44Å; I49-G52 PolarHBondContact O-N 3.46Å
53E95.8Very high97Very high49 Ų4930.5 Ų30.523%0.22917%0.171CC..PPolyproline II helixtrans-90.8149.2176.3-59.3166.2-177.600110.4S48 C51 R71 N284S48-E53 CarbonylContact C-O 3.6Å; S48-E53 WeakPolarHBondContact CA-OE2 3.15Å; S48-E53 WeakPolarHBondContact CB-OE2 3.38Å; S48-E53 WeakPolarHBondContact O-CA 3.06Å; S48-E53 WeakPolarHBondContact O-CB 3.32Å; S48-E53 PolarHBondContact O-N 2.79Å; S48-E53 PolarHBondContact OG-OE2 3.09Å; C51-E53 VanDerWaalsContact C-N 3.31Å; C51-E53 HydrophobicContact CB-CG 4.12Å; E53-R71 IonicContact OE2-NH1 3.57Å; E53-N284 PolarHBondContact OE1-ND2 3.44Å
54W94.6Very high97Very high116 Ų11632.9 Ų32.944%0.43918%0.184SC..PPolyproline II helixtrans-93.6129.6177.5-169.8-102.1000110.7Q214 Q217 R218W54-Q214 HydrophobicContact CH2-CB 4.5Å; W54-Q214 HydrophobicContact CZ2-CB 4.18Å; W54-Q214 HydrophobicContact CZ2-CG 4.01Å; W54-Q217 HydrophobicContact CE3-CG 4.33Å; W54-Q217 HydrophobicContact CH2-CG 3.6Å; W54-Q217 HydrophobicContact CZ2-CG 4.24Å; W54-Q217 HydrophobicContact CZ3-CG 3.69Å; W54-R218 HydrophobicContact CH2-CG 3.8Å; W54-R218 HydrophobicContact CZ3-CG 3.8Å
55I94.6Very high96.9Very high3 Ų333.6 Ų33.62%0.01519%0.186CC..PPolyproline II helixtrans-84.4130.5172.6-57.7173.7000109.1I49 W74 E77 Q217I49-I55 HydrophobicContact CD1-CD1 4.03Å; I49-I55 HydrophobicContact CG1-CD1 3.76Å; I49-I55 HydrophobicContact CG1-CG1 4.35Å; I55-W74 HydrophobicContact CB-CZ2 3.94Å; I55-W74 HydrophobicContact CD1-CD2 3.85Å; I55-W74 HydrophobicContact CD1-CE3 4.13Å; I55-W74 HydrophobicContact CD1-CG 4.33Å; I55-W74 HydrophobicContact CD1-CH2 4.25Å; I55-W74 HydrophobicContact CD1-CZ2 3.94Å; I55-W74 HydrophobicContact CD1-CZ3 4.32Å; I55-W74 HydrophobicContact CG2-CZ2 3.78Å; I55-E77 HydrophobicContact CG2-CG 3.65Å; I55-Q217 VanDerWaalsContact CB-OE1 3.29Å; I55-Q217 PolarHBondContact O-NE2 3.26Å
56T93.6Very high96.9Very high43 Ų4333.6 Ų33.626%0.26419%0.186SC..  trans-106.8168.9179.473.90000110.8D58T56-D58 PolarHBondContact OG1-N 2.98Å
57M95.4Very high96.9Very high16 Ų1634.1 Ų34.18%0.07919%0.19CC..  trans-110.324.1167.2-68.5-62.7-60.500110.5L76 Y80 V206 F209 F210M57-L76 HydrophobicContact CE-CB 4.21Å; M57-L76 HydrophobicContact SD-CB 3.58Å; M57-L76 VanDerWaalsContact SD-CB 3.58Å; M57-L76 HydrophobicContact SD-CD1 4.04Å; M57-L76 HydrophobicContact SD-CG 4.35Å; M57-Y80 HydrophobicContact CE-CD1 4.04Å; M57-Y80 HydrophobicContact CE-CG 4.32Å; M57-Y80 WeakPolarHBondContact O-CE1 3.13Å; M57-V206 HydrophobicContact CB-CG2 4.36Å; M57-V206 HydrophobicContact CE-CG2 3.65Å; M57-F209 HydrophobicContact CE-CB 4.06Å; M57-F210 HydrophobicContact CB-CD1 3.38Å; M57-F210 HydrophobicContact CB-CE1 3.32Å; M57-F210 HydrophobicContact CG-CD1 3.75Å; M57-F210 HydrophobicContact CG-CE1 4.18Å
58D96.7Very high96.9Very high78 Ų7838.7 Ų38.742%0.41721%0.207SC..  trans-84.7118.1173.9174.5-107.6000108.8T56 E60 T61 I62T56-D58 PolarHBondContact OG1-N 2.98Å; D58-E60 VanDerWaalsContact C-N 3.31Å; D58-E60 PolarHBondContact O-N 3.38Å; D58-T61 PolarHBondContact O-N 3.38Å; D58-T61 WeakPolarHBondContact OD1-CB 3.45Å; D58-T61 PolarHBondContact OD1-N 3.04Å; D58-T61 PolarHBondContact OD1-OG1 2.89Å; D58-I62 WeakPolarHBondContact O-CD1 3.35Å; D58-I62 VanDerWaalsContact O-CG1 3.26Å; D58-I62 WeakPolarHBondContact O-CG1 3.19Å; D58-I62 PolarHBondContact O-N 3.42Å
59L97.3Very high96.8Very high24 Ų2441.9 Ų41.913%0.12623%0.229CC..Hα-helixtrans-65.5-36-169.6-174.960.4000112.2M8 I62 F63 Y80 W84M8-L59 HydrophobicContact CE-CB 4.37Å; M8-L59 HydrophobicContact CE-CD2 3.67Å; M8-L59 HydrophobicContact CE-CG 3.76Å; M8-L59 HydrophobicContact SD-CD2 4.3Å; M8-L59 HydrophobicContact SD-CG 3.79Å; L59-I62 PolarHBondContact O-N 3.47Å; L59-F63 WeakPolarHBondContact O-CB 3.29Å; L59-F63 PolarHBondContact O-N 3.25Å; L59-Y80 HydrophobicContact CB-CD1 4.4Å; L59-Y80 HydrophobicContact CB-CE1 3.68Å; L59-Y80 HydrophobicContact CD1-CD1 3.92Å; L59-Y80 HydrophobicContact CD1-CE1 3.97Å; L59-Y80 HydrophobicContact CD1-CG 4.2Å; L59-Y80 HydrophobicContact CG-CE1 4.3Å; L59-W84 HydrophobicContact CD1-CB 4.11Å; L59-W84 HydrophobicContact CD2-CB 3.7Å; L59-W84 HydrophobicContact CD2-CG 3.73Å; L59-W84 HydrophobicContact CG-CB 4.47Å
60E97.3Very high96.7Very high93 Ų9342.5 Ų42.544%0.43524%0.236SC..Hα-helixtrans-69.2-42.2178.7-171177.1167.100111.5M8 D58 I62 F63 N64M8-E60 HydrophobicContact SD-CB 4.48Å; D58-E60 VanDerWaalsContact C-N 3.31Å; D58-E60 PolarHBondContact O-N 3.38Å; E60-I62 VanDerWaalsContact C-N 3.33Å; E60-I62 PolarHBondContact O-N 3.07Å; E60-F63 PolarHBondContact O-N 3.3Å; E60-N64 WeakPolarHBondContact O-CB 3.49Å; E60-N64 VanDerWaalsContact O-CG 3.24Å; E60-N64 PolarHBondContact O-N 3.41Å; E60-N64 PolarHBondContact O-ND2 2.96Å
61T97.1Very high96.7Very high67 Ų6742.5 Ų42.541%0.41124%0.236SC..Hα-helixtrans-58.3-45.9171.7-60.20000111.2D58 N64 K65D58-T61 PolarHBondContact O-N 3.38Å; D58-T61 WeakPolarHBondContact OD1-CB 3.45Å; D58-T61 PolarHBondContact OD1-N 3.04Å; D58-T61 PolarHBondContact OD1-OG1 2.89Å; T61-N64 PolarHBondContact O-N 3.48Å; T61-K65 WeakPolarHBondContact O-CB 3.07Å; T61-K65 PolarHBondContact O-N 2.58Å
62I98.1Very high96.8Very high0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-61.5-45.5177.1-69.3164.3000110.6D58 L59 E60 K65 V66 E77 Y80 L81D58-I62 WeakPolarHBondContact O-CD1 3.35Å; D58-I62 VanDerWaalsContact O-CG1 3.26Å; D58-I62 WeakPolarHBondContact O-CG1 3.19Å; D58-I62 PolarHBondContact O-N 3.42Å; L59-I62 PolarHBondContact O-N 3.47Å; E60-I62 VanDerWaalsContact C-N 3.33Å; E60-I62 PolarHBondContact O-N 3.07Å; I62-K65 PolarHBondContact O-N 3.15Å; I62-V66 HydrophobicContact CG2-CG2 4.15Å; I62-V66 WeakPolarHBondContact O-CB 3.4Å; I62-V66 WeakPolarHBondContact O-CG2 3.5Å; I62-V66 PolarHBondContact O-N 2.87Å; I62-E77 HydrophobicContact CD1-CB 4.4Å; I62-E77 HydrophobicContact CD1-CG 4.2Å; I62-E77 HydrophobicContact CG1-CB 4.28Å; I62-E77 HydrophobicContact CG1-CG 4Å; I62-E77 HydrophobicContact CG2-CB 4Å; I62-Y80 HydrophobicContact CD1-CD1 3.77Å; I62-Y80 HydrophobicContact CD1-CE1 4.5Å; I62-L81 HydrophobicContact CG2-CB 4.06Å
63F98.6Very high96.9Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-60.9-47.5177.9-174.7-82.9000111.5M8 N9 E12 L59 E60 K65 V66 V67 R68 L81 W84M8-F63 HydrophobicContact CB-CD1 4.27Å; M8-F63 HydrophobicContact CB-CD2 3.85Å; M8-F63 HydrophobicContact CB-CE1 4.35Å; M8-F63 HydrophobicContact CB-CE2 3.95Å; M8-F63 HydrophobicContact CB-CG 4.03Å; M8-F63 HydrophobicContact CB-CZ 4.19Å; M8-F63 HydrophobicContact CG-CB 3.75Å; M8-F63 HydrophobicContact CG-CD1 3.85Å; M8-F63 HydrophobicContact CG-CD2 3.81Å; M8-F63 HydrophobicContact CG-CE1 4.41Å; M8-F63 HydrophobicContact CG-CE2 4.37Å; M8-F63 HydrophobicContact CG-CG 3.53Å; M8-F63 HydrophobicContact SD-CB 3.48Å; M8-F63 WeakPolarHBondContact SD-CB 3.5Å; M8-F63 HydrophobicContact SD-CD2 3.92Å; M8-F63 HydrophobicContact SD-CG 3.8Å; N9-F63 WeakPolarHBondContact O-CZ 3.47Å; E12-F63 HydrophobicContact CB-CE1 4.44Å; E12-F63 HydrophobicContact CB-CZ 3.95Å; L59-F63 WeakPolarHBondContact O-CB 3.29Å; L59-F63 PolarHBondContact O-N 3.25Å; E60-F63 PolarHBondContact O-N 3.3Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 3.47Å; F63-V66 PolarHBondContact O-N 2.88Å; F63-V67 HydrophobicContact CD1-CB 4.19Å; F63-V67 HydrophobicContact CD1-CG2 4.48Å; F63-V67 HydrophobicContact CD2-CB 4.42Å; F63-V67 HydrophobicContact CD2-CG2 3.85Å; F63-V67 HydrophobicContact CE1-CB 4.04Å; F63-V67 HydrophobicContact CE1-CG1 4.03Å; F63-V67 HydrophobicContact CE1-CG2 4.46Å; F63-V67 HydrophobicContact CE2-CB 4.27Å; F63-V67 HydrophobicContact CE2-CG1 4.32Å; F63-V67 HydrophobicContact CE2-CG2 3.84Å; F63-V67 HydrophobicContact CG-CB 4.37Å; F63-V67 HydrophobicContact CG-CG2 4.17Å; F63-V67 HydrophobicContact CZ-CB 4.08Å; F63-V67 HydrophobicContact CZ-CG1 3.84Å; F63-V67 HydrophobicContact CZ-CG2 4.16Å; F63-V67 WeakPolarHBondContact O-CA 3.17Å; F63-V67 VanDerWaalsContact O-CB 3.22Å; F63-V67 WeakPolarHBondContact O-CB 3.25Å; F63-V67 PolarHBondContact O-N 2.98Å; F63-R68 HydrophobicContact CD1-CG 4.46Å; F63-R68 HydrophobicContact CE1-CG 4.22Å; F63-R68 PolarHBondContact O-N 2.83Å; F63-L81 HydrophobicContact CB-CD1 4.43Å; F63-L81 HydrophobicContact CD2-CD1 3.74Å; F63-W84 HydrophobicContact CD2-CE3 4.48Å; F63-W84 HydrophobicContact CD2-CH2 4.18Å; F63-W84 AromaticContact CD2-CZ3 3.95Å; F63-W84 HydrophobicContact CD2-CZ3 3.95Å; F63-W84 AromaticContact CE2-CH2 3.65Å; F63-W84 HydrophobicContact CE2-CH2 3.65Å; F63-W84 AromaticContact CE2-CZ3 3.65Å; F63-W84 HydrophobicContact CE2-CZ3 3.65Å
64N97.8Very high96.9Very high50 Ų5036 Ų3627%0.26718%0.184SC..Iπ-helixtrans-59.9-40.1177.6-71.5-30.3000112E60 T61 R68 S69E60-N64 WeakPolarHBondContact O-CB 3.49Å; E60-N64 VanDerWaalsContact O-CG 3.24Å; E60-N64 PolarHBondContact O-N 3.41Å; E60-N64 PolarHBondContact O-ND2 2.96Å; T61-N64 PolarHBondContact O-N 3.48Å; N64-R68 CarbonylContact O-C 3.56Å; N64-R68 WeakPolarHBondContact O-CB 3.48Å; N64-R68 PolarHBondContact O-N 2.79Å; N64-R68 WeakPolarHBondContact OD1-CD 3.24Å; N64-R68 PolarHBondContact OD1-NH1 3.29Å; N64-S69 WeakPolarHBondContact O-CB 3.29Å; N64-S69 PolarHBondContact O-N 3.32Å; N64-S69 PolarHBondContact O-OG 3.18Å
65K97.6Very high97Very high28 Ų2831 Ų3112%0.12217%0.166CC..Iπ-helixtrans-66.3-59.7175.8175.7-179.9170.1-167.50111.2S48 T61 I62 F63 S69 R71 G72 E77S48-K65 PolarHBondContact OG-NZ 2.84Å; T61-K65 WeakPolarHBondContact O-CB 3.07Å; T61-K65 PolarHBondContact O-N 2.58Å; I62-K65 PolarHBondContact O-N 3.15Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 3.47Å; K65-S69 CarbonylContact O-C 3.34Å; K65-S69 VanDerWaalsContact O-CB 3.3Å; K65-S69 WeakPolarHBondContact O-CB 3.38Å; K65-S69 PolarHBondContact O-N 2.77Å; K65-R71 HydrophobicContact CG-CB 3.64Å; K65-R71 HydrophobicContact CG-CG 4.12Å; K65-R71 WeakPolarHBondContact O-CB 3.16Å; K65-R71 PolarHBondContact O-N 3.17Å; K65-R71 VanDerWaalsContact O-N 3.12Å; K65-G72 WeakPolarHBondContact CE-O 3.49Å; K65-E77 WeakPolarHBondContact CD-OE1 3.24Å; K65-E77 VanDerWaalsContact NZ-CD 3.29Å; K65-E77 IonicContact NZ-OE1 2.75Å; K65-E77 PolarHBondContact NZ-OE1 2.83Å; K65-E77 IonicContact NZ-OE2 3.04Å; K65-E77 PolarHBondContact NZ-OE2 3.38Å; K65-E77 VanDerWaalsContact NZ-OE2 3.07Å
66V98.3Very high97.1Very high0 Ų030.9 Ų30.90%017%0.166CC..Iπ-helixtrans-73.2-45.4-169.8175.50000112.2R16 I42 I62 F63 L81R16-V66 WeakPolarHBondContact CD-O 3.47Å; R16-V66 PolarHBondContact NE-O 2.87Å; I42-V66 HydrophobicContact CB-CG1 4.49Å; I42-V66 HydrophobicContact CD1-CG1 3.74Å; I42-V66 HydrophobicContact CG1-CG1 4.05Å; I42-V66 HydrophobicContact CG2-CG1 3.6Å; I62-V66 HydrophobicContact CG2-CG2 4.15Å; I62-V66 WeakPolarHBondContact O-CB 3.4Å; I62-V66 WeakPolarHBondContact O-CG2 3.5Å; I62-V66 PolarHBondContact O-N 2.87Å; F63-V66 PolarHBondContact O-N 2.88Å; V66-L81 HydrophobicContact CB-CD2 3.85Å; V66-L81 HydrophobicContact CG1-CD2 3.56Å; V66-L81 HydrophobicContact CG2-CD2 4.42Å
67V98.3Very high97.3Very high11 Ų1129 Ų297%0.06715%0.154CC..Iπ-helixtrans-87-60.9-174.3-177.70000110.6E12 Y13 R16 F63 L81E12-V67 HydrophobicContact CB-CG1 3.82Å; E12-V67 WeakPolarHBondContact O-CG1 3.47Å; Y13-V67 HydrophobicContact CD2-CG2 4.23Å; R16-V67 HydrophobicContact CB-CG1 3.97Å; R16-V67 HydrophobicContact CG-CG1 4.5Å; F63-V67 HydrophobicContact CD1-CB 4.19Å; F63-V67 HydrophobicContact CD1-CG2 4.48Å; F63-V67 HydrophobicContact CD2-CB 4.42Å; F63-V67 HydrophobicContact CD2-CG2 3.85Å; F63-V67 HydrophobicContact CE1-CB 4.04Å; F63-V67 HydrophobicContact CE1-CG1 4.03Å; F63-V67 HydrophobicContact CE1-CG2 4.46Å; F63-V67 HydrophobicContact CE2-CB 4.27Å; F63-V67 HydrophobicContact CE2-CG1 4.32Å; F63-V67 HydrophobicContact CE2-CG2 3.84Å; F63-V67 HydrophobicContact CG-CB 4.37Å; F63-V67 HydrophobicContact CG-CG2 4.17Å; F63-V67 HydrophobicContact CZ-CB 4.08Å; F63-V67 HydrophobicContact CZ-CG1 3.84Å; F63-V67 HydrophobicContact CZ-CG2 4.16Å; F63-V67 WeakPolarHBondContact O-CA 3.17Å; F63-V67 VanDerWaalsContact O-CB 3.22Å; F63-V67 WeakPolarHBondContact O-CB 3.25Å; F63-V67 PolarHBondContact O-N 2.98Å; V67-L81 HydrophobicContact CG2-CD2 4.05Å
68R97.4Very high97.5Very high98 Ų9828.2 Ų28.237%0.3715%0.15SC..Iπ-helixtrans-76.9-30.7-171.5-60.9-177.4177148.4-4.9113.7R7 E12 F63 N64R7-R68 PolarHBondContact O-NH2 2.7Å; E12-R68 IonicContact OE1-CZ 2.77Å; E12-R68 IonicContact OE1-NE 3.44Å; E12-R68 IonicContact OE1-NH2 3.83Å; E12-R68 PolarHBondContact OE1-NH2 3.11Å; E12-R68 WeakPolarHBondContact OE2-CG 3.35Å; E12-R68 IonicContact OE2-CZ 3.79Å; E12-R68 IonicContact OE2-NE 3.33Å; E12-R68 PolarHBondContact OE2-NE 3.4Å; E12-R68 IonicContact OE2-NH2 3.63Å; E12-R68 PolarHBondContact OE2-NH2 2.83Å; F63-R68 HydrophobicContact CD1-CG 4.46Å; F63-R68 HydrophobicContact CE1-CG 4.22Å; F63-R68 PolarHBondContact O-N 2.83Å; N64-R68 CarbonylContact O-C 3.56Å; N64-R68 WeakPolarHBondContact O-CB 3.48Å; N64-R68 PolarHBondContact O-N 2.79Å; N64-R68 WeakPolarHBondContact OD1-CD 3.24Å; N64-R68 PolarHBondContact OD1-NH1 3.29Å
69S96.3Very high97.6Very high72 Ų7224.5 Ų24.550%0.50313%0.131SC..THydrogen-bonded Turntrans-100.46.8-179.7-46.10000113.5N64 K65 R71N64-S69 WeakPolarHBondContact O-CB 3.29Å; N64-S69 PolarHBondContact O-N 3.32Å; N64-S69 PolarHBondContact O-OG 3.18Å; K65-S69 CarbonylContact O-C 3.34Å; K65-S69 VanDerWaalsContact O-CB 3.3Å; K65-S69 WeakPolarHBondContact O-CB 3.38Å; K65-S69 PolarHBondContact O-N 2.77Å; S69-R71 PolarHBondContact O-N 3.21Å
70S96.4Very high97.6Very high43 Ų4325.2 Ų25.230%0.30113%0.132SC..  trans52.326.6-178.8-61.90000114.9
71R97.8Very high97.7Very high13 Ų1320.8 Ų20.85%0.04911%0.111CC..  trans-80.1176173.7-70-72.5-57.9-80.8-8.7111.1R16 E45 S48 E53 K65 S69 K281R16-R71 PolarHBondContact NH2-O 3.37Å; E45-R71 IonicContact OE1-CZ 3.74Å; E45-R71 IonicContact OE1-NE 2.87Å; E45-R71 PolarHBondContact OE1-NE 2.83Å; E45-R71 VanDerWaalsContact OE1-NE 3.11Å; E45-R71 IonicContact OE1-NH2 3.42Å; E45-R71 PolarHBondContact OE1-NH2 2.78Å; E45-R71 IonicContact OE2-NH2 3.54Å; E45-R71 PolarHBondContact OE2-NH2 3.5Å; S48-R71 PolarHBondContact OG-NH2 3.19Å; S48-R71 VanDerWaalsContact OG-NH2 3.1Å; E53-R71 IonicContact OE2-NH1 3.57Å; K65-R71 HydrophobicContact CG-CB 3.64Å; K65-R71 HydrophobicContact CG-CG 4.12Å; K65-R71 WeakPolarHBondContact O-CB 3.16Å; K65-R71 PolarHBondContact O-N 3.17Å; K65-R71 VanDerWaalsContact O-N 3.12Å; S69-R71 PolarHBondContact O-N 3.21Å; R71-K281 WeakPolarHBondContact CD-O 3.36Å
72G98.1Very high97.8Very high0 Ų017.6 Ų17.60%09%0.091CC..  trans-103.5-157.2163.400000110.7P43 E45 K65P43-G72 WeakPolarHBondContact O-CA 3.39Å; E45-G72 VanDerWaalsContact OE1-C 3.3Å; E45-G72 PolarHBondContact OE1-N 2.72Å; K65-G72 WeakPolarHBondContact CE-O 3.49Å
73G97.6Very high97.8Very high0 Ų017.6 Ų17.60%09%0.091CC..BIsolated β-bridgetrans-169.8170.8170.900000110.6P43 F44 E45 E77 N78P43-G73 PolarHBondContact O-N 2.9Å; F44-G73 WeakPolarHBondContact CA-O 2.92Å; E45-G73 PolarHBondContact N-O 2.76Å; E45-G73 CarbonylContact O-C 3.57Å; E45-G73 WeakPolarHBondContact O-CA 3.23Å; G73-E77 WeakPolarHBondContact CA-OE2 3.23Å; G73-N78 WeakPolarHBondContact CA-OD1 3.21Å; G73-N78 PolarHBondContact N-OD1 3.48Å; G73-N78 VanDerWaalsContact N-OD1 3.1Å; G73-N78 PolarHBondContact O-ND2 2.91Å; G73-N78 VanDerWaalsContact O-ND2 3.07Å
74W95.9Very high97.8Very high2 Ų218.4 Ų18.41%0.00810%0.095CC..  trans-80.5-172.717464.6-2.8000110.4F44 E45 I49 I55 L76 E77 N78 S131 S213 I216 Q217 F224F44-W74 HydrophobicContact CE2-CB 4.25Å; E45-W74 WeakPolarHBondContact O-CA 3.46Å; E45-W74 PolarHBondContact O-N 2.95Å; I49-W74 HydrophobicContact CD1-CE3 4.26Å; I49-W74 HydrophobicContact CD1-CH2 4.4Å; I49-W74 HydrophobicContact CD1-CZ3 3.78Å; I55-W74 HydrophobicContact CB-CZ2 3.94Å; I55-W74 HydrophobicContact CD1-CD2 3.85Å; I55-W74 HydrophobicContact CD1-CE3 4.13Å; I55-W74 HydrophobicContact CD1-CG 4.33Å; I55-W74 HydrophobicContact CD1-CH2 4.25Å; I55-W74 HydrophobicContact CD1-CZ2 3.94Å; I55-W74 HydrophobicContact CD1-CZ3 4.32Å; I55-W74 HydrophobicContact CG2-CZ2 3.78Å; W74-L76 VanDerWaalsContact C-N 3.29Å; W74-L76 HydrophobicContact CZ2-CD1 4.39Å; W74-L76 PolarHBondContact O-N 2.93Å; W74-E77 PolarHBondContact N-OE2 3.17Å; W74-E77 PolarHBondContact O-N 2.98Å; W74-E77 VanDerWaalsContact O-N 3.13Å; W74-N78 PolarHBondContact O-N 3.11Å; W74-N78 VanDerWaalsContact O-N 3.07Å; W74-S131 PolarHBondContact O-OG 3.38Å; W74-S213 WeakPolarHBondContact CZ2-OG 3.3Å; W74-I216 HydrophobicContact CE3-CG2 4.49Å; W74-I216 HydrophobicContact CH2-CB 4.31Å; W74-I216 HydrophobicContact CH2-CG2 4.23Å; W74-I216 HydrophobicContact CZ3-CB 4.27Å; W74-I216 HydrophobicContact CZ3-CG2 3.71Å; W74-Q217 HydrophobicContact CH2-CB 3.79Å; W74-Q217 HydrophobicContact CH2-CG 4.37Å; W74-Q217 HydrophobicContact CZ3-CB 4.21Å; W74-F224 HydrophobicContact CB-CE1 4.21Å; W74-F224 HydrophobicContact CE3-CB 4.31Å; W74-F224 AromaticContact CE3-CD1 3.83Å; W74-F224 HydrophobicContact CE3-CD1 3.83Å; W74-F224 HydrophobicContact CE3-CD2 4.22Å; W74-F224 HydrophobicContact CE3-CE1 4.09Å; W74-F224 HydrophobicContact CE3-CE2 4.44Å; W74-F224 AromaticContact CE3-CG 3.86Å; W74-F224 HydrophobicContact CE3-CG 3.86Å; W74-F224 HydrophobicContact CE3-CZ 4.37Å; W74-F224 HydrophobicContact CZ3-CB 4.15Å; W74-F224 HydrophobicContact CZ3-CD1 4.48Å; W74-F224 HydrophobicContact CZ3-CD2 4.3Å; W74-F224 HydrophobicContact CZ3-CG 4.07Å
75C96.3Very high97.8Very high9 Ų916 Ų166%0.0618%0.082CC..Hα-helixtrans-57.5-40.1-173.262.60000113.6E77 N79 H114 S131C75-E77 VanDerWaalsContact C-N 3.33Å; C75-E77 PolarHBondContact O-N 3.25Å; C75-N79 VanDerWaalsContact O-CB 3.24Å; C75-N79 WeakPolarHBondContact O-CB 3.49Å; C75-N79 PolarHBondContact O-N 3.37Å; C75-H114 WeakPolarHBondContact CB-CE1 3.22Å; C75-H114 WeakPolarHBondContact CB-ND1 3.43Å; C75-H114 PolarHBondContact SG-ND1 2.9Å; C75-H114 VanDerWaalsContact SG-ND1 3.4Å; C75-S131 WeakPolarHBondContact CA-O 3.2Å; C75-S131 VanDerWaalsContact CB-O 3.25Å; C75-S131 WeakPolarHBondContact CB-O 3.39Å
76L97.3Very high97.9Very high1 Ų114.7 Ų14.71%0.0058%0.076CC..Hα-helixtrans-70.1-27.3-178.2-62.6-176.8000113.5M57 W74 Y80 S113 L115 F209M57-L76 HydrophobicContact CE-CB 4.21Å; M57-L76 HydrophobicContact SD-CB 3.58Å; M57-L76 VanDerWaalsContact SD-CB 3.58Å; M57-L76 HydrophobicContact SD-CD1 4.04Å; M57-L76 HydrophobicContact SD-CG 4.35Å; W74-L76 VanDerWaalsContact C-N 3.29Å; W74-L76 HydrophobicContact CZ2-CD1 4.39Å; W74-L76 PolarHBondContact O-N 2.93Å; L76-Y80 WeakPolarHBondContact O-CB 3.45Å; L76-Y80 PolarHBondContact O-N 3.2Å; L76-S113 WeakPolarHBondContact CD2-O 3.28Å; L76-L115 HydrophobicContact CD2-CB 3.8Å; L76-L115 HydrophobicContact CD2-CD1 4.39Å; L76-F209 HydrophobicContact CD1-CB 4.48Å; L76-F209 HydrophobicContact CD2-CB 4.04Å; L76-F209 HydrophobicContact CD2-CD1 3.58Å; L76-F209 HydrophobicContact CD2-CE1 4.3Å; L76-F209 HydrophobicContact CD2-CG 3.99Å
77E98.3Very high97.8Very high4 Ų419.4 Ų19.42%0.0199%0.094CC..Hα-helixtrans-83.1-56.8178.2-68.2174.7107.400110.2I55 I62 K65 G73 W74 C75 Y80 L81I55-E77 HydrophobicContact CG2-CG 3.65Å; I62-E77 HydrophobicContact CD1-CB 4.4Å; I62-E77 HydrophobicContact CD1-CG 4.2Å; I62-E77 HydrophobicContact CG1-CB 4.28Å; I62-E77 HydrophobicContact CG1-CG 4Å; I62-E77 HydrophobicContact CG2-CB 4Å; K65-E77 WeakPolarHBondContact CD-OE1 3.24Å; K65-E77 VanDerWaalsContact NZ-CD 3.29Å; K65-E77 IonicContact NZ-OE1 2.75Å; K65-E77 PolarHBondContact NZ-OE1 2.83Å; K65-E77 IonicContact NZ-OE2 3.04Å; K65-E77 PolarHBondContact NZ-OE2 3.38Å; K65-E77 VanDerWaalsContact NZ-OE2 3.07Å; G73-E77 WeakPolarHBondContact CA-OE2 3.23Å; W74-E77 PolarHBondContact N-OE2 3.17Å; W74-E77 PolarHBondContact O-N 2.98Å; W74-E77 VanDerWaalsContact O-N 3.13Å; C75-E77 VanDerWaalsContact C-N 3.33Å; C75-E77 PolarHBondContact O-N 3.25Å; E77-Y80 PolarHBondContact O-N 3.35Å; E77-L81 WeakPolarHBondContact O-CB 3.43Å; E77-L81 PolarHBondContact O-N 3.24Å
78N98.5Very high97.8Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-65.3-45.5-175-72.42.6000111.8P43 G73 W74 L81 F82 S131P43-N78 PolarHBondContact O-ND2 2.94Å; G73-N78 WeakPolarHBondContact CA-OD1 3.21Å; G73-N78 PolarHBondContact N-OD1 3.48Å; G73-N78 VanDerWaalsContact N-OD1 3.1Å; G73-N78 PolarHBondContact O-ND2 2.91Å; G73-N78 VanDerWaalsContact O-ND2 3.07Å; W74-N78 PolarHBondContact O-N 3.11Å; W74-N78 VanDerWaalsContact O-N 3.07Å; N78-L81 PolarHBondContact O-N 3.45Å; N78-F82 WeakPolarHBondContact O-CB 3.25Å; N78-F82 PolarHBondContact O-N 3.22Å; N78-S131 VanDerWaalsContact CB-OG 3.32Å; N78-S131 WeakPolarHBondContact CB-OG 3.33Å; N78-S131 PolarHBondContact ND2-OG 3.38Å; N78-S131 VanDerWaalsContact ND2-OG 3.08Å
79N98.7Very high97.7Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-72.3-31.2178-72.6-46000111.1C75 F82 G83 L115 H117 D129 V130C75-N79 VanDerWaalsContact O-CB 3.24Å; C75-N79 WeakPolarHBondContact O-CB 3.49Å; C75-N79 PolarHBondContact O-N 3.37Å; N79-F82 PolarHBondContact O-N 2.91Å; N79-G83 PolarHBondContact O-N 3.35Å; N79-L115 HydrophobicContact CB-CB 4.39Å; N79-L115 HydrophobicContact CB-CD2 3.43Å; N79-L115 VanDerWaalsContact CB-CD2 3.43Å; N79-L115 HydrophobicContact CB-CG 4.46Å; N79-L115 WeakPolarHBondContact CB-O 3.39Å; N79-L115 VanDerWaalsContact CG-O 3.27Å; N79-L115 PolarHBondContact ND2-O 3.27Å; N79-H117 PolarHBondContact O-NE2 3.13Å; N79-D129 PolarHBondContact ND2-OD1 3.4Å; N79-V130 WeakPolarHBondContact OD1-CG2 3.39Å; N79-V130 PolarHBondContact OD1-N 3.1Å
80Y98.4Very high97.8Very high38 Ų3818.9 Ų18.915%0.14910%0.1CC..Hα-helixtrans-66.4-43.9175.1-175.7-146.9000111.8M57 L59 I62 L76 E77 F82 G83 W84 V206M57-Y80 HydrophobicContact CE-CD1 4.04Å; M57-Y80 HydrophobicContact CE-CG 4.32Å; M57-Y80 WeakPolarHBondContact O-CE1 3.13Å; L59-Y80 HydrophobicContact CB-CD1 4.4Å; L59-Y80 HydrophobicContact CB-CE1 3.68Å; L59-Y80 HydrophobicContact CD1-CD1 3.92Å; L59-Y80 HydrophobicContact CD1-CE1 3.97Å; L59-Y80 HydrophobicContact CD1-CG 4.2Å; L59-Y80 HydrophobicContact CG-CE1 4.3Å; I62-Y80 HydrophobicContact CD1-CD1 3.77Å; I62-Y80 HydrophobicContact CD1-CE1 4.5Å; L76-Y80 WeakPolarHBondContact O-CB 3.45Å; L76-Y80 PolarHBondContact O-N 3.2Å; E77-Y80 PolarHBondContact O-N 3.35Å; Y80-F82 PolarHBondContact O-N 3.22Å; Y80-G83 PolarHBondContact O-N 2.95Å; Y80-W84 PolarHBondContact O-N 2.93Å; Y80-W84 VanDerWaalsContact O-N 3.1Å; Y80-V206 HydrophobicContact CD1-CG2 4.22Å; Y80-V206 HydrophobicContact CD2-CG2 4.42Å; Y80-V206 HydrophobicContact CE1-CG2 3.71Å; Y80-V206 HydrophobicContact CE2-CB 4.09Å; Y80-V206 HydrophobicContact CE2-CG2 3.94Å
81L98.8Very high97.9Very high0 Ų017.3 Ų17.30%09%0.088CC..Hα-helixtrans-57.3-47.8170.6176.363.6000111.4Y13 I62 F63 V66 V67 E77 N78 G83 W84 V85Y13-L81 HydrophobicContact CD2-CD2 4.26Å; Y13-L81 HydrophobicContact CD2-CG 4.42Å; Y13-L81 HydrophobicContact CE2-CD2 4.31Å; Y13-L81 HydrophobicContact CE2-CG 4.43Å; I62-L81 HydrophobicContact CG2-CB 4.06Å; F63-L81 HydrophobicContact CB-CD1 4.43Å; F63-L81 HydrophobicContact CD2-CD1 3.74Å; V66-L81 HydrophobicContact CB-CD2 3.85Å; V66-L81 HydrophobicContact CG1-CD2 3.56Å; V66-L81 HydrophobicContact CG2-CD2 4.42Å; V67-L81 HydrophobicContact CG2-CD2 4.05Å; E77-L81 WeakPolarHBondContact O-CB 3.43Å; E77-L81 PolarHBondContact O-N 3.24Å; N78-L81 PolarHBondContact O-N 3.45Å; L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 3.07Å; L81-W84 HydrophobicContact CD1-CE3 3.82Å; L81-W84 HydrophobicContact CD1-CZ3 4.23Å; L81-W84 WeakPolarHBondContact O-CB 3.3Å; L81-W84 PolarHBondContact O-N 3.39Å; L81-W84 VanDerWaalsContact O-N 3.09Å; L81-V85 WeakPolarHBondContact O-CG2 3.4Å; L81-V85 PolarHBondContact O-N 3.48Å
82F98.8Very high97.9Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-62.1-38.5179-165.9-111.9000112.1Y13 L31 I34 H35 N78 N79 Y80 W84 V85 L86 A128 V130Y13-F82 WeakPolarHBondContact OH-CD2 3.37Å; L31-F82 HydrophobicContact CD1-CE1 4.48Å; L31-F82 HydrophobicContact CD1-CZ 4.25Å; I34-F82 HydrophobicContact CD1-CE2 4.28Å; I34-F82 HydrophobicContact CD1-CZ 4.24Å; I34-F82 HydrophobicContact CG1-CE2 4.13Å; I34-F82 HydrophobicContact CG1-CZ 4.11Å; H35-F82 HydrophobicContact CB-CZ 4.21Å; N78-F82 WeakPolarHBondContact O-CB 3.25Å; N78-F82 PolarHBondContact O-N 3.22Å; N79-F82 PolarHBondContact O-N 2.91Å; Y80-F82 PolarHBondContact O-N 3.22Å; F82-W84 VanDerWaalsContact C-N 3.3Å; F82-W84 PolarHBondContact O-N 2.97Å; F82-V85 WeakPolarHBondContact O-CB 3.22Å; F82-V85 PolarHBondContact O-N 3.2Å; F82-L86 HydrophobicContact CD1-CD1 3.79Å; F82-L86 HydrophobicContact CD1-CG 4.08Å; F82-L86 HydrophobicContact CE1-CD1 3.74Å; F82-L86 HydrophobicContact CE1-CD2 3.92Å; F82-L86 HydrophobicContact CE1-CG 3.92Å; F82-L86 HydrophobicContact CZ-CD2 4.06Å; F82-L86 HydrophobicContact CZ-CG 4.38Å; F82-L86 VanDerWaalsContact O-CG 3.3Å; F82-L86 WeakPolarHBondContact O-CG 3.44Å; F82-L86 PolarHBondContact O-N 3.32Å; F82-A128 HydrophobicContact CE1-CB 4.04Å; F82-V130 HydrophobicContact CB-CG2 3.63Å; F82-V130 HydrophobicContact CD1-CG1 3.86Å; F82-V130 HydrophobicContact CD1-CG2 4.2Å; F82-V130 HydrophobicContact CD2-CG1 3.94Å; F82-V130 HydrophobicContact CD2-CG2 4.19Å; F82-V130 HydrophobicContact CE1-CG1 3.86Å; F82-V130 HydrophobicContact CE2-CG1 3.95Å; F82-V130 HydrophobicContact CG-CG1 3.9Å; F82-V130 HydrophobicContact CG-CG2 3.75Å; F82-V130 HydrophobicContact CZ-CG1 3.91Å
83G98.6Very high97.9Very high0 Ų020.9 Ų20.90%012%0.116CC..Hα-helixtrans-60.5-38.4173.600000112.8N79 Y80 L81 R87 H117N79-G83 PolarHBondContact O-N 3.35Å; Y80-G83 PolarHBondContact O-N 2.95Å; L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 3.07Å; G83-R87 VanDerWaalsContact C-NH2 3.28Å; G83-R87 WeakPolarHBondContact O-CG 3.26Å; G83-R87 PolarHBondContact O-N 3.33Å; G83-R87 PolarHBondContact O-NE 2.91Å; G83-R87 PolarHBondContact O-NH1 3.27Å; G83-R87 PolarHBondContact O-NH2 3.35Å; G83-H117 VanDerWaalsContact CA-CE1 3.42Å; G83-H117 WeakPolarHBondContact CA-CE1 3.37Å; G83-H117 WeakPolarHBondContact CA-NE2 3.39Å; G83-H117 PolarHBondContact N-NE2 2.85Å
84W98.4Very high98Very high18 Ų1822.7 Ų22.77%0.06813%0.127CC..Hα-helixtrans-63.7-47.8172.1166.780.3000111.2M8 L10 L59 F63 Y80 L81 F82 L86 R87 E88M8-W84 HydrophobicContact CB-CH2 4.08Å; M8-W84 HydrophobicContact CB-CZ2 3.7Å; L10-W84 HydrophobicContact CD2-CH2 4.07Å; L10-W84 HydrophobicContact CD2-CZ3 4.09Å; L10-W84 HydrophobicContact CG-CH2 4.32Å; L59-W84 HydrophobicContact CD1-CB 4.11Å; L59-W84 HydrophobicContact CD2-CB 3.7Å; L59-W84 HydrophobicContact CD2-CG 3.73Å; L59-W84 HydrophobicContact CG-CB 4.47Å; F63-W84 HydrophobicContact CD2-CE3 4.48Å; F63-W84 HydrophobicContact CD2-CH2 4.18Å; F63-W84 AromaticContact CD2-CZ3 3.95Å; F63-W84 HydrophobicContact CD2-CZ3 3.95Å; F63-W84 AromaticContact CE2-CH2 3.65Å; F63-W84 HydrophobicContact CE2-CH2 3.65Å; F63-W84 AromaticContact CE2-CZ3 3.65Å; F63-W84 HydrophobicContact CE2-CZ3 3.65Å; Y80-W84 PolarHBondContact O-N 2.93Å; Y80-W84 VanDerWaalsContact O-N 3.1Å; L81-W84 HydrophobicContact CD1-CE3 3.82Å; L81-W84 HydrophobicContact CD1-CZ3 4.23Å; L81-W84 WeakPolarHBondContact O-CB 3.3Å; L81-W84 PolarHBondContact O-N 3.39Å; L81-W84 VanDerWaalsContact O-N 3.09Å; F82-W84 VanDerWaalsContact C-N 3.3Å; F82-W84 PolarHBondContact O-N 2.97Å; W84-L86 VanDerWaalsContact C-N 3.33Å; W84-L86 PolarHBondContact O-N 2.94Å; W84-R87 PolarHBondContact O-N 2.78Å; W84-R87 VanDerWaalsContact O-N 3.13Å; W84-E88 HydrophobicContact CD2-CG 4.05Å; W84-E88 VanDerWaalsContact CE2-CG 3.45Å; W84-E88 HydrophobicContact CG-CG 4.22Å; W84-E88 HydrophobicContact CZ2-CG 3.83Å; W84-E88 WeakPolarHBondContact O-CG 3.46Å; W84-E88 PolarHBondContact O-N 3.35Å
85V98.4Very high98.1Very high0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-54.3-49.2176.5173.90000111.2L10 Y13 L81 F82 R87 E88 M89L10-V85 HydrophobicContact CD2-CB 4.29Å; L10-V85 HydrophobicContact CD2-CG1 3.97Å; L10-V85 HydrophobicContact CD2-CG2 4.31Å; Y13-V85 HydrophobicContact CD1-CB 4.5Å; Y13-V85 HydrophobicContact CD1-CG1 3.95Å; Y13-V85 HydrophobicContact CD1-CG2 3.67Å; Y13-V85 HydrophobicContact CD2-CG2 3.69Å; Y13-V85 HydrophobicContact CE1-CB 4.26Å; Y13-V85 HydrophobicContact CE1-CG1 3.62Å; Y13-V85 HydrophobicContact CE1-CG2 3.7Å; Y13-V85 HydrophobicContact CE2-CG2 3.68Å; Y13-V85 HydrophobicContact CG-CG2 3.67Å; L81-V85 WeakPolarHBondContact O-CG2 3.4Å; L81-V85 PolarHBondContact O-N 3.48Å; F82-V85 WeakPolarHBondContact O-CB 3.22Å; F82-V85 PolarHBondContact O-N 3.2Å; V85-R87 VanDerWaalsContact C-N 3.32Å; V85-R87 PolarHBondContact O-N 3.26Å; V85-E88 PolarHBondContact O-N 3.45Å; V85-M89 HydrophobicContact CG1-CG 4.33Å; V85-M89 HydrophobicContact CG1-SD 3.77Å; V85-M89 WeakPolarHBondContact O-CB 3.47Å; V85-M89 VanDerWaalsContact O-CG 3.26Å; V85-M89 WeakPolarHBondContact O-CG 3.5Å; V85-M89 PolarHBondContact O-N 2.86Å
86L98.5Very high98.2Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-56.8-45.3179.3-68.7173.5000111.9L31 I34 F82 W84 M89 G90 F91 A93 H117 V119L31-L86 HydrophobicContact CD1-CD2 3.36Å; I34-L86 HydrophobicContact CD1-CD2 4.25Å; F82-L86 HydrophobicContact CD1-CD1 3.79Å; F82-L86 HydrophobicContact CD1-CG 4.08Å; F82-L86 HydrophobicContact CE1-CD1 3.74Å; F82-L86 HydrophobicContact CE1-CD2 3.92Å; F82-L86 HydrophobicContact CE1-CG 3.92Å; F82-L86 HydrophobicContact CZ-CD2 4.06Å; F82-L86 HydrophobicContact CZ-CG 4.38Å; F82-L86 VanDerWaalsContact O-CG 3.3Å; F82-L86 WeakPolarHBondContact O-CG 3.44Å; F82-L86 PolarHBondContact O-N 3.32Å; W84-L86 VanDerWaalsContact C-N 3.33Å; W84-L86 PolarHBondContact O-N 2.94Å; L86-M89 PolarHBondContact O-N 3.23Å; L86-G90 PolarHBondContact O-N 3.21Å; L86-F91 HydrophobicContact CB-CB 4.24Å; L86-F91 HydrophobicContact CD2-CB 4.41Å; L86-F91 HydrophobicContact CD2-CD2 3.93Å; L86-F91 HydrophobicContact CD2-CE2 4.45Å; L86-F91 HydrophobicContact CD2-CG 4.22Å; L86-F91 WeakPolarHBondContact O-CB 3.26Å; L86-F91 PolarHBondContact O-N 2.7Å; L86-A93 HydrophobicContact CB-CB 3.76Å; L86-A93 HydrophobicContact CD1-CB 3.9Å; L86-A93 HydrophobicContact CG-CB 4.47Å; L86-H117 HydrophobicContact CD1-CB 4.13Å; L86-V119 HydrophobicContact CD1-CG2 3.86Å
87R97.4Very high98.2Very high99 Ų9923.1 Ų23.137%0.37413%0.13SC..Hα-helixtrans-70.3-41.5-179.2-73.1-177.1-67.4-88.51.1112.6G83 W84 V85 M89 G90G83-R87 VanDerWaalsContact C-NH2 3.28Å; G83-R87 WeakPolarHBondContact O-CG 3.26Å; G83-R87 PolarHBondContact O-N 3.33Å; G83-R87 PolarHBondContact O-NE 2.91Å; G83-R87 PolarHBondContact O-NH1 3.27Å; G83-R87 PolarHBondContact O-NH2 3.35Å; W84-R87 PolarHBondContact O-N 2.78Å; W84-R87 VanDerWaalsContact O-N 3.13Å; V85-R87 VanDerWaalsContact C-N 3.32Å; V85-R87 PolarHBondContact O-N 3.26Å; R87-M89 VanDerWaalsContact C-N 3.28Å; R87-M89 PolarHBondContact O-N 3.43Å; R87-G90 WeakPolarHBondContact O-CA 3.34Å; R87-G90 PolarHBondContact O-N 2.84Å
88E97.1Very high98.2Very high108 Ų10823 Ų2351%0.50513%0.129SC..Hα-helixtrans-65.7-33.2176.3-68.2-64129.800111.9L10 W84 V85 G90L10-E88 HydrophobicContact CD1-CB 3.66Å; L10-E88 HydrophobicContact CD2-CB 3.94Å; L10-E88 HydrophobicContact CG-CB 3.83Å; W84-E88 HydrophobicContact CD2-CG 4.05Å; W84-E88 VanDerWaalsContact CE2-CG 3.45Å; W84-E88 HydrophobicContact CG-CG 4.22Å; W84-E88 HydrophobicContact CZ2-CG 3.83Å; W84-E88 WeakPolarHBondContact O-CG 3.46Å; W84-E88 PolarHBondContact O-N 3.35Å; V85-E88 PolarHBondContact O-N 3.45Å; E88-G90 PolarHBondContact O-N 2.95Å
89M97.1Very high98.1Very high13 Ų1326.7 Ų26.76%0.06414%0.143CC..THydrogen-bonded Turntrans-73.6-8.6171.2-69.1-179.376.800113.1L10 F14 M26 T30 I34 V85 L86 R87 F91L10-M89 HydrophobicContact CD1-CG 4.01Å; L10-M89 HydrophobicContact CD2-CG 4.3Å; F14-M89 HydrophobicContact CE1-CE 4.35Å; F14-M89 HydrophobicContact CE1-SD 3.9Å; F14-M89 HydrophobicContact CZ-CE 4.03Å; F14-M89 HydrophobicContact CZ-CG 4.07Å; F14-M89 HydrophobicContact CZ-SD 3.79Å; M26-M89 WeakPolarHBondContact CG-O 3.32Å; T30-M89 HydrophobicContact CG2-CE 3.6Å; I34-M89 HydrophobicContact CD1-CE 4.26Å; I34-M89 HydrophobicContact CD1-SD 3.71Å; I34-M89 HydrophobicContact CG2-CE 4.49Å; V85-M89 HydrophobicContact CG1-CG 4.33Å; V85-M89 HydrophobicContact CG1-SD 3.77Å; V85-M89 WeakPolarHBondContact O-CB 3.47Å; V85-M89 VanDerWaalsContact O-CG 3.26Å; V85-M89 WeakPolarHBondContact O-CG 3.5Å; V85-M89 PolarHBondContact O-N 2.86Å; L86-M89 PolarHBondContact O-N 3.23Å; R87-M89 VanDerWaalsContact C-N 3.28Å; R87-M89 PolarHBondContact O-N 3.43Å; M89-F91 HydrophobicContact CB-CD2 3.88Å; M89-F91 HydrophobicContact CB-CE2 4.11Å; M89-F91 HydrophobicContact CE-CE2 4.03Å; M89-F91 HydrophobicContact SD-CE2 4.22Å
90G97.6Very high97.9Very high48 Ų4828.7 Ų28.750%0.49516%0.16SC..THydrogen-bonded Turntrans86.310.7179.200000115.5L86 R87 E88L86-G90 PolarHBondContact O-N 3.21Å; R87-G90 WeakPolarHBondContact O-CA 3.34Å; R87-G90 PolarHBondContact O-N 2.84Å; E88-G90 PolarHBondContact O-N 2.95Å
91F98.4Very high97.8Very high10 Ų1029 Ų294%0.04416%0.162CC..  trans-65.9143.4172.2-75-83.8000111.2M26 T30 L31 I34 L86 M89 A93 V119 I121M26-F91 HydrophobicContact CB-CD1 3.96Å; M26-F91 HydrophobicContact CB-CE1 3.92Å; M26-F91 HydrophobicContact CB-CG 4.33Å; M26-F91 HydrophobicContact CB-CZ 4.27Å; M26-F91 HydrophobicContact CG-CD1 4.46Å; M26-F91 HydrophobicContact CG-CD2 4.35Å; M26-F91 HydrophobicContact CG-CG 4.33Å; T30-F91 HydrophobicContact CG2-CZ 4.34Å; L31-F91 HydrophobicContact CB-CE1 4.01Å; L31-F91 HydrophobicContact CB-CZ 3.96Å; I34-F91 HydrophobicContact CD1-CE2 4.32Å; L86-F91 HydrophobicContact CB-CB 4.24Å; L86-F91 HydrophobicContact CD2-CB 4.41Å; L86-F91 HydrophobicContact CD2-CD2 3.93Å; L86-F91 HydrophobicContact CD2-CE2 4.45Å; L86-F91 HydrophobicContact CD2-CG 4.22Å; L86-F91 WeakPolarHBondContact O-CB 3.26Å; L86-F91 PolarHBondContact O-N 2.7Å; M89-F91 HydrophobicContact CB-CD2 3.88Å; M89-F91 HydrophobicContact CB-CE2 4.11Å; M89-F91 HydrophobicContact CE-CE2 4.03Å; M89-F91 HydrophobicContact SD-CE2 4.22Å; F91-A93 VanDerWaalsContact C-N 3.29Å; F91-A93 PolarHBondContact O-N 3.4Å; F91-V119 HydrophobicContact CB-CG1 4.02Å; F91-V119 HydrophobicContact CD1-CG1 3.83Å; F91-V119 HydrophobicContact CG-CG1 4.25Å; F91-I121 HydrophobicContact CD1-CD1 4.15Å; F91-I121 HydrophobicContact CD1-CG1 4.21Å; F91-I121 HydrophobicContact CE1-CD1 3.77Å; F91-I121 HydrophobicContact CE1-CG1 4.23Å
92S97.9Very high97.4Very high70 Ų7031.6 Ų31.649%0.4918%0.176SC..EExtended strand (participates in β ladder)trans-75.282.7168.9-172.80000109.9V119 I120S92-V119 WeakPolarHBondContact O-CA 3.49Å; S92-I120 PolarHBondContact O-N 3.45Å
93A98.3Very high96.6Very high19 Ų1935.9 Ų35.916%0.15719%0.192CC..EExtended strand (participates in β ladder)trans-108.2129.8-176.200000112.4L86 F91 K118 V119L86-A93 HydrophobicContact CB-CB 3.76Å; L86-A93 HydrophobicContact CD1-CB 3.9Å; L86-A93 HydrophobicContact CG-CB 4.47Å; F91-A93 VanDerWaalsContact C-N 3.29Å; F91-A93 PolarHBondContact O-N 3.4Å; A93-K118 CarbonylContact C-O 3.57Å; A93-K118 WeakPolarHBondContact CA-O 3.39Å; A93-V119 HydrophobicContact CB-CG2 4.31Å
94T98.6Very high96Very high37 Ų3741.5 Ų41.523%0.22722%0.221CC..EExtended strand (participates in β ladder)trans-115.8122.8175.6-55.10000109.7L96 H117 K118 P203T94-L96 HydrophobicContact CG2-CD2 4.11Å; T94-H117 CarbonylContact O-C 3.59Å; T94-H117 WeakPolarHBondContact O-CA 3.4Å; T94-K118 PolarHBondContact N-O 3.01Å; T94-K118 PolarHBondContact O-N 2.69Å; T94-P203 HydrophobicContact CG2-CB 3.77Å; T94-P203 HydrophobicContact CG2-CG 3.94Å
95T98.6Very high95.5Very high17 Ų1745.3 Ų45.310%0.10424%0.242CC..EExtended strand (participates in β ladder)trans-70.8134.9172.4-55.40000110.3L115 H117 R204 F209T95-L115 HydrophobicContact CG2-CD1 4.02Å; T95-L115 HydrophobicContact CG2-CD2 3.92Å; T95-L115 HydrophobicContact CG2-CG 3.76Å; T95-H117 PolarHBondContact OG1-CE1 3.35Å; T95-R204 WeakPolarHBondContact CB-O 3.49Å; T95-R204 HydrophobicContact CG2-CB 4.45Å; T95-R204 PolarHBondContact O-N 2.71Å; T95-F209 HydrophobicContact CG2-CE2 3.88Å; T95-F209 HydrophobicContact CG2-CZ 4.25Å
96L98.6Very high95.1Very high0 Ų050.1 Ų50.10%027%0.268CS..EExtended strand (participates in β ladder)trans-124.6157.4175.5-54.5178.8000110.5T94 I116 K118 I127 F199 L201 E202T94-L96 HydrophobicContact CG2-CD2 4.11Å; L96-I116 HydrophobicContact CB-CD1 4.5Å; L96-I116 HydrophobicContact CB-CG1 3.87Å; L96-I116 PolarHBondContact N-O 2.8Å; L96-I116 PolarHBondContact O-N 3.06Å; L96-I116 VanDerWaalsContact O-N 3.15Å; L96-K118 HydrophobicContact CD1-CB 3.88Å; L96-K118 HydrophobicContact CG-CB 4.35Å; L96-I127 HydrophobicContact CD1-CD1 4.33Å; L96-F199 HydrophobicContact CD1-CD2 3.98Å; L96-F199 HydrophobicContact CD1-CE2 4.28Å; L96-L201 HydrophobicContact CD1-CD2 4.24Å; L96-E202 WeakPolarHBondContact CD2-O 3.32Å
97S97.5Very high94.9Very high5 Ų554.5 Ų54.54%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-102150.3167.4630000111.2D112 H114 F199 R204S97-D112 PolarHBondContact OG-OD2 2.85Å; S97-H114 CarbonylContact C-O 3.45Å; S97-F199 WeakPolarHBondContact O-CB 3.37Å; S97-R204 PolarHBondContact OG-NE 3.25Å; S97-R204 VanDerWaalsContact OG-NE 3.16Å
98S97.6Very high94.8Very high1 Ų150.8 Ų50.81%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-143.7158.5179.866.10000111.4D112 S113 H114 C198S98-D112 CarbonylContact O-C 3.48Å; S98-D112 WeakPolarHBondContact O-CA 3.15Å; S98-S113 PolarHBondContact O-N 3Å; S98-S113 VanDerWaalsContact O-N 3.14Å; S98-H114 PolarHBondContact N-O 2.68Å; S98-H114 PolarHBondContact O-N 2.85Å; S98-H114 WeakPolarHBondContact OG-CB 3.41Å; S98-H114 PolarHBondContact OG-CD2 3.36Å; S98-H114 PolarHBondContact OG-O 3.38Å; S98-C198 CarbonylContact C-O 3.56Å; S98-C198 WeakPolarHBondContact CA-O 3.24Å; S98-C198 VanDerWaalsContact CB-O 3.24Å; S98-C198 WeakPolarHBondContact CB-O 3.25Å
99R96.7Very high94.3Very high77 Ų7746.5 Ų46.529%0.29126%0.262SS..EExtended strand (participates in β ladder)trans-114.7118.1-178.9-64.8177-57.7154.8-1.5108.2F108 G109 D112 Y197 C198R99-F108 HydrophobicContact CB-CB 4.04Å; R99-F108 WeakPolarHBondContact O-CD1 3.15Å; R99-G109 WeakPolarHBondContact CB-O 3.33Å; R99-G109 VanDerWaalsContact CD-O 3.23Å; R99-G109 WeakPolarHBondContact CD-O 3.22Å; R99-G109 WeakPolarHBondContact CG-O 3.42Å; R99-D112 HydrophobicContact CG-CB 3.65Å; R99-Y197 CarbonylContact O-C 3.58Å; R99-Y197 WeakPolarHBondContact O-CA 3.39Å; R99-Y197 VanDerWaalsContact O-CB 3.22Å; R99-Y197 WeakPolarHBondContact O-CB 3.46Å; R99-C198 PolarHBondContact N-O 3.1Å; R99-C198 PolarHBondContact NE-SG 2.9Å; R99-C198 VanDerWaalsContact NE-SG 3.38Å; R99-C198 PolarHBondContact NH2-SG 3.28Å; R99-C198 PolarHBondContact O-N 3.4Å
100A95.5Very high93.7Very high42 Ų4250.6 Ų50.635%0.34730%0.298SS..EExtended strand (participates in β ladder)trans-66.7143176.300000110.7N102 G109 F132A100-N102 PolarHBondContact O-N 3.09Å; A100-G109 PolarHBondContact O-N 3.46Å; A100-F132 HydrophobicContact CB-CE2 4.4Å
101F94.9Very high93.2Very high44 Ų4450.6 Ų50.619%0.19329%0.286CS..EExtended strand (participates in β ladder)trans-67.7127.7174-172.9-100000110.3R103 D106 F108 P195 I196F101-R103 HydrophobicContact CE1-CB 4.4Å; F101-D106 WeakPolarHBondContact CZ-OD1 3.42Å; F101-F108 HydrophobicContact CB-CD1 4.07Å; F101-F108 HydrophobicContact CB-CE1 4.03Å; F101-F108 HydrophobicContact CD2-CD1 4.09Å; F101-F108 AromaticContact CD2-CE1 3.96Å; F101-F108 HydrophobicContact CD2-CE1 3.96Å; F101-F108 HydrophobicContact CD2-CZ 4.28Å; F101-P195 HydrophobicContact CB-CB 4.31Å; F101-P195 HydrophobicContact CB-CG 4.25Å; F101-P195 HydrophobicContact CD1-CG 3.82Å; F101-P195 HydrophobicContact CD2-CB 3.91Å; F101-P195 HydrophobicContact CD2-CG 3.36Å; F101-P195 HydrophobicContact CE1-CG 3.92Å; F101-P195 HydrophobicContact CE2-CB 4.41Å; F101-P195 HydrophobicContact CE2-CG 3.47Å; F101-P195 VanDerWaalsContact CE2-CG 3.47Å; F101-P195 HydrophobicContact CG-CB 4.08Å; F101-P195 HydrophobicContact CG-CG 3.53Å; F101-P195 HydrophobicContact CZ-CG 3.75Å; F101-I196 WeakPolarHBondContact CB-O 3.15Å; F101-I196 PolarHBondContact N-O 2.74Å
102N89.9Confident92.8Very high55 Ų5551.8 Ų51.829%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-110.1106.7179.5-179.1-11000109.9A100 I104 I105 D106 D107A100-N102 PolarHBondContact O-N 3.09Å; N102-I104 PolarHBondContact O-N 2.98Å; N102-I104 VanDerWaalsContact OD1-CB 3.31Å; N102-I104 WeakPolarHBondContact OD1-CB 3.23Å; N102-I104 PolarHBondContact OD1-N 3.43Å; N102-I105 HydrophobicContact CB-CD1 4.15Å; N102-I105 HydrophobicContact CB-CG1 3.81Å; N102-I105 WeakPolarHBondContact O-CG1 3.41Å; N102-I105 PolarHBondContact O-N 3.14Å; N102-D106 PolarHBondContact O-N 3.06Å; N102-D107 WeakPolarHBondContact CA-O 3.41Å; N102-D107 PolarHBondContact N-O 2.8Å; N102-D107 PolarHBondContact O-N 2.78Å
103R84Confident92.4Very high90 Ų9049.5 Ų49.534%0.3428%0.277SS..THydrogen-bonded Turntrans-67.6-17.9-178.5-162.1-175.3175.1143-8.3114.3F101 I105 N189 F294F101-R103 HydrophobicContact CE1-CB 4.4Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-N189 PolarHBondContact NH1-OD1 3.16Å; R103-F294 HydrophobicContact CB-CD1 3.51Å; R103-F294 HydrophobicContact CB-CD2 4.11Å; R103-F294 HydrophobicContact CB-CE1 3.42Å; R103-F294 VanDerWaalsContact CB-CE1 3.42Å; R103-F294 HydrophobicContact CB-CE2 4.07Å; R103-F294 HydrophobicContact CB-CG 3.86Å; R103-F294 HydrophobicContact CB-CZ 3.73Å; R103-F294 HydrophobicContact CG-CE1 4.32Å; R103-F294 HydrophobicContact CG-CE2 4.24Å; R103-F294 HydrophobicContact CG-CZ 4.13Å
104I84.4Confident92.3Very high118 Ų11849 Ų4961%0.60527%0.272SS*.THydrogen-bonded Turntrans-67.5-39176.6-62.2172.9000110N102 F294N102-I104 PolarHBondContact O-N 2.98Å; N102-I104 VanDerWaalsContact OD1-CB 3.31Å; N102-I104 WeakPolarHBondContact OD1-CB 3.23Å; N102-I104 PolarHBondContact OD1-N 3.43Å; I104-F294 HydrophobicContact CD1-CB 4.15Å; I104-F294 HydrophobicContact CG1-CB 3.9Å
105I88.9Confident92.3Very high98 Ų9847.3 Ų47.350%0.50326%0.261SS..THydrogen-bonded Turntrans-99.4-3.3178.264.3172.6000112.9N102 R103 D107N102-I105 HydrophobicContact CB-CD1 4.15Å; N102-I105 HydrophobicContact CB-CG1 3.81Å; N102-I105 WeakPolarHBondContact O-CG1 3.41Å; N102-I105 PolarHBondContact O-N 3.14Å; R103-I105 VanDerWaalsContact C-N 3.31Å; I105-D107 HydrophobicContact CD1-CB 4.25Å; I105-D107 HydrophobicContact CG1-CB 4.19Å; I105-D107 PolarHBondContact O-N 2.78Å
106D90.2Very high92.3Very high102 Ų10246.5 Ų46.555%0.54526%0.256SS..THydrogen-bonded Turntrans51.535.7-174.4-150.640.8000113.6F101 N102 K191F101-D106 WeakPolarHBondContact CZ-OD1 3.42Å; N102-D106 PolarHBondContact O-N 3.06Å; D106-K191 IonicContact OD1-NZ 2.6Å
107D94Very high92.3Very high92 Ų9246.5 Ų46.549%0.49226%0.256SS..EExtended strand (participates in β ladder)trans-151.1172.1-178.6-161.3-0.3000110.4N102 I105N102-D107 WeakPolarHBondContact CA-O 3.41Å; N102-D107 PolarHBondContact N-O 2.8Å; N102-D107 PolarHBondContact O-N 2.78Å; I105-D107 HydrophobicContact CD1-CB 4.25Å; I105-D107 HydrophobicContact CG1-CB 4.19Å; I105-D107 PolarHBondContact O-N 2.78Å
108F94.1Very high92.3Very high21 Ų2148.2 Ų48.29%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-68.8134.4172.6-58.8-74.1000110.9R99 F101 I167 P195 Y197 C198R99-F108 HydrophobicContact CB-CB 4.04Å; R99-F108 WeakPolarHBondContact O-CD1 3.15Å; F101-F108 HydrophobicContact CB-CD1 4.07Å; F101-F108 HydrophobicContact CB-CE1 4.03Å; F101-F108 HydrophobicContact CD2-CD1 4.09Å; F101-F108 AromaticContact CD2-CE1 3.96Å; F101-F108 HydrophobicContact CD2-CE1 3.96Å; F101-F108 HydrophobicContact CD2-CZ 4.28Å; F108-I167 HydrophobicContact CE2-CD1 3.93Å; F108-I167 HydrophobicContact CE2-CG1 4.07Å; F108-I167 HydrophobicContact CZ-CB 4.41Å; F108-I167 HydrophobicContact CZ-CD1 4.04Å; F108-I167 HydrophobicContact CZ-CG1 3.87Å; F108-I167 HydrophobicContact CZ-CG2 3.79Å; F108-P195 HydrophobicContact CE1-CB 4.18Å; F108-P195 HydrophobicContact CZ-CB 4.05Å; F108-Y197 VanDerWaalsContact CE1-C 3.4Å; F108-C198 HydrophobicContact CD1-CB 3.82Å; F108-C198 HydrophobicContact CD2-CB 3.94Å; F108-C198 HydrophobicContact CE1-CB 3.74Å; F108-C198 HydrophobicContact CE2-CB 3.85Å; F108-C198 HydrophobicContact CG-CB 3.92Å; F108-C198 WeakPolarHBondContact CG-SG 3.21Å; F108-C198 HydrophobicContact CZ-CB 3.75Å
109G88.2Confident92.4Very high17 Ų1748.2 Ų48.218%0.17526%0.263CS..  trans-58.1148.3177.800000111.8R99 A100 L111R99-G109 WeakPolarHBondContact CB-O 3.33Å; R99-G109 VanDerWaalsContact CD-O 3.23Å; R99-G109 WeakPolarHBondContact CD-O 3.22Å; R99-G109 WeakPolarHBondContact CG-O 3.42Å; A100-G109 PolarHBondContact O-N 3.46Å; G109-L111 PolarHBondContact O-N 3.4Å
110A84.4Confident92.5Very high100 Ų10047.4 Ų47.483%0.82626%0.264SS*.SBendtrans-64.8-21.3-179.600000113.6
111L86.6Confident92.6Very high47 Ų4745.7 Ų45.725%0.24625%0.249CC..  trans-93.7113.1-175-168.367.9000111.6G109 S113 K212 I216G109-L111 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact C-N 3.26Å; L111-S113 PolarHBondContact O-N 3.15Å; L111-S113 PolarHBondContact O-OG 2.73Å; L111-K212 HydrophobicContact CD1-CB 4.44Å; L111-K212 HydrophobicContact CD1-CD 4.3Å; L111-K212 HydrophobicContact CD1-CG 3.99Å; L111-I216 HydrophobicContact CD2-CD1 3.6Å; L111-I216 HydrophobicContact CD2-CG1 3.46Å; L111-I216 VanDerWaalsContact CD2-CG1 3.46Å
112D89.3Confident92.7Very high36 Ų3650.9 Ų50.919%0.19328%0.278CS..  trans-82.569.5177.667.3-41.6000111.7S97 S98 R99 H208 K212S97-D112 PolarHBondContact OG-OD2 2.85Å; S98-D112 CarbonylContact O-C 3.48Å; S98-D112 WeakPolarHBondContact O-CA 3.15Å; R99-D112 HydrophobicContact CG-CB 3.65Å; D112-H208 IonicContact OD1-NE2 3.37Å; D112-H208 IonicContact OD2-CD2 2.73Å; D112-H208 IonicContact OD2-CE1 3.11Å; D112-H208 PolarHBondContact OD2-CE1 2.87Å; D112-H208 IonicContact OD2-NE2 2.8Å; D112-H208 PolarHBondContact OD2-NE2 2.89Å; D112-K212 VanDerWaalsContact O-CD 3.29Å; D112-K212 WeakPolarHBondContact O-CD 3.44Å; D112-K212 WeakPolarHBondContact O-CE 3.25Å; D112-K212 WeakPolarHBondContact OD1-CE 3.27Å; D112-K212 IonicContact OD1-NZ 3.26Å
113S89.1Confident93Very high21 Ų2151.8 Ų51.815%0.14730%0.301CS..  trans-112.9-4.5-168.850.50000115.3L76 S98 L111 I216L76-S113 WeakPolarHBondContact CD2-O 3.28Å; S98-S113 PolarHBondContact O-N 3Å; S98-S113 VanDerWaalsContact O-N 3.14Å; L111-S113 VanDerWaalsContact C-N 3.26Å; L111-S113 PolarHBondContact O-N 3.15Å; L111-S113 PolarHBondContact O-OG 2.73Å; S113-I216 VanDerWaalsContact OG-CD1 3.31Å; S113-I216 WeakPolarHBondContact OG-CD1 3.28Å
114H96.9Very high93.7Very high10 Ų1052.4 Ų52.45%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-87.9120.1174.4-175.863.8000109.3C75 S97 S98 D129 F132 Y197C75-H114 WeakPolarHBondContact CB-CE1 3.22Å; C75-H114 WeakPolarHBondContact CB-ND1 3.43Å; C75-H114 PolarHBondContact SG-ND1 2.9Å; C75-H114 VanDerWaalsContact SG-ND1 3.4Å; S97-H114 CarbonylContact C-O 3.45Å; S98-H114 PolarHBondContact N-O 2.68Å; S98-H114 PolarHBondContact O-N 2.85Å; S98-H114 WeakPolarHBondContact OG-CB 3.41Å; S98-H114 PolarHBondContact OG-CD2 3.36Å; S98-H114 PolarHBondContact OG-O 3.38Å; H114-D129 IonicContact CD2-OD2 3.07Å; H114-D129 IonicContact CE1-OD1 2.78Å; H114-D129 IonicContact CE1-OD2 3.9Å; H114-D129 IonicContact NE2-OD1 2.83Å; H114-D129 IonicContact NE2-OD2 3.2Å; H114-D129 PolarHBondContact NE2-OD2 3.09Å; H114-F132 AromaticContact CE1-CD2 3.79Å; H114-F132 AromaticContact NE2-CD2 3.6Å; H114-Y197 AromaticContact CD2-CD1 3.74Å; H114-Y197 AromaticContact CD2-CE1 3.93Å; H114-Y197 AromaticContact NE2-CE1 3.91Å
115L98.1Very high94.4Very high1 Ų148 Ų481%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-91.5128.7-176.8-171.4160.7000109.3L76 N79 T95 H117 F209L76-L115 HydrophobicContact CD2-CB 3.8Å; L76-L115 HydrophobicContact CD2-CD1 4.39Å; N79-L115 HydrophobicContact CB-CB 4.39Å; N79-L115 HydrophobicContact CB-CD2 3.43Å; N79-L115 VanDerWaalsContact CB-CD2 3.43Å; N79-L115 HydrophobicContact CB-CG 4.46Å; N79-L115 WeakPolarHBondContact CB-O 3.39Å; N79-L115 VanDerWaalsContact CG-O 3.27Å; N79-L115 PolarHBondContact ND2-O 3.27Å; T95-L115 HydrophobicContact CG2-CD1 4.02Å; T95-L115 HydrophobicContact CG2-CD2 3.92Å; T95-L115 HydrophobicContact CG2-CG 3.76Å; L115-H117 WeakPolarHBondContact CD2-NE2 3.1Å; L115-F209 HydrophobicContact CB-CD1 4.4Å; L115-F209 HydrophobicContact CB-CE1 3.9Å; L115-F209 HydrophobicContact CB-CZ 4Å; L115-F209 HydrophobicContact CD1-CD2 3.86Å; L115-F209 HydrophobicContact CD1-CE1 4.37Å; L115-F209 HydrophobicContact CD1-CE2 3.71Å; L115-F209 HydrophobicContact CD1-CG 4.26Å; L115-F209 HydrophobicContact CD1-CZ 3.97Å; L115-F209 HydrophobicContact CG-CE1 4.21Å; L115-F209 HydrophobicContact CG-CE2 4.01Å; L115-F209 HydrophobicContact CG-CZ 3.79Å
116I98.7Very high94.9Very high0 Ų044 Ų440%027%0.266CS..EExtended strand (participates in β ladder)trans-135.5172.1175.367.2179.9000110.1L96 I127 D129 Y197 F199L96-I116 HydrophobicContact CB-CD1 4.5Å; L96-I116 HydrophobicContact CB-CG1 3.87Å; L96-I116 PolarHBondContact N-O 2.8Å; L96-I116 PolarHBondContact O-N 3.06Å; L96-I116 VanDerWaalsContact O-N 3.15Å; I116-I127 HydrophobicContact CD1-CG2 4.09Å; I116-D129 HydrophobicContact CB-CB 4.39Å; I116-D129 HydrophobicContact CG2-CB 3.89Å; I116-Y197 HydrophobicContact CD1-CE2 3.89Å; I116-Y197 HydrophobicContact CG2-CE1 4.48Å; I116-F199 HydrophobicContact CD1-CB 4.04Å; I116-F199 HydrophobicContact CD1-CD1 3.86Å; I116-F199 HydrophobicContact CD1-CD2 4.07Å; I116-F199 HydrophobicContact CD1-CE1 4.31Å; I116-F199 HydrophobicContact CD1-CE2 4.5Å; I116-F199 HydrophobicContact CD1-CG 3.74Å
117H98.9Very high95.3Very high0 Ų039.2 Ų39.20%024%0.24CC..EExtended strand (participates in β ladder)trans-123.5138.9178.1-62.3-71.9000112.5N79 G83 L86 T94 T95 L115 I127 A128N79-H117 PolarHBondContact O-NE2 3.13Å; G83-H117 VanDerWaalsContact CA-CE1 3.42Å; G83-H117 WeakPolarHBondContact CA-CE1 3.37Å; G83-H117 WeakPolarHBondContact CA-NE2 3.39Å; G83-H117 PolarHBondContact N-NE2 2.85Å; L86-H117 HydrophobicContact CD1-CB 4.13Å; T94-H117 CarbonylContact O-C 3.59Å; T94-H117 WeakPolarHBondContact O-CA 3.4Å; T95-H117 PolarHBondContact OG1-CE1 3.35Å; L115-H117 WeakPolarHBondContact CD2-NE2 3.1Å; H117-I127 CarbonylContact O-C 3.57Å; H117-I127 WeakPolarHBondContact O-CA 3.47Å; H117-A128 HydrophobicContact CB-CB 4.42Å; H117-A128 PolarHBondContact N-O 3.13Å; H117-A128 PolarHBondContact O-N 2.95Å
118K98.8Very high95.5Very high41 Ų4134.8 Ų34.818%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-96.4126.9161.2-179.2-175.372.4-179.60109A93 T94 L96 I120 A125 Y126 I127 L144 L201A93-K118 CarbonylContact C-O 3.57Å; A93-K118 WeakPolarHBondContact CA-O 3.39Å; T94-K118 PolarHBondContact N-O 3.01Å; T94-K118 PolarHBondContact O-N 2.69Å; L96-K118 HydrophobicContact CD1-CB 3.88Å; L96-K118 HydrophobicContact CG-CB 4.35Å; K118-I120 HydrophobicContact CD-CD1 4.42Å; K118-I120 HydrophobicContact CG-CD1 4.41Å; K118-A125 HydrophobicContact CD-CB 4.41Å; K118-A125 HydrophobicContact CG-CB 4.34Å; K118-Y126 CarbonylContact C-O 3.6Å; K118-Y126 VanDerWaalsContact CA-O 3.26Å; K118-Y126 WeakPolarHBondContact CA-O 3.38Å; K118-I127 HydrophobicContact CB-CD1 4.31Å; K118-L144 HydrophobicContact CD-CD2 4.41Å; K118-L201 HydrophobicContact CD-CD2 4.44Å
119V98.8Very high95.8Very high0 Ų033.9 Ų33.90%021%0.212CC..EExtended strand (participates in β ladder)trans-117.6132.7178.4-170.10000110L31 L86 F91 S92 A93 I121 A125 Y126 A128L31-V119 HydrophobicContact CD2-CB 4.13Å; L31-V119 HydrophobicContact CD2-CG1 4.13Å; L31-V119 HydrophobicContact CD2-CG2 4.29Å; L86-V119 HydrophobicContact CD1-CG2 3.86Å; F91-V119 HydrophobicContact CB-CG1 4.02Å; F91-V119 HydrophobicContact CD1-CG1 3.83Å; F91-V119 HydrophobicContact CG-CG1 4.25Å; S92-V119 WeakPolarHBondContact O-CA 3.49Å; A93-V119 HydrophobicContact CB-CG2 4.31Å; V119-I121 HydrophobicContact CG1-CD1 4.34Å; V119-I121 HydrophobicContact CG1-CG1 4.07Å; V119-A125 CarbonylContact O-C 3.56Å; V119-A125 WeakPolarHBondContact O-CA 3.17Å; V119-Y126 PolarHBondContact N-O 2.84Å; V119-Y126 PolarHBondContact O-N 2.81Å; V119-A128 HydrophobicContact CG2-CB 4.34Å
120I98.7Very high96.3Very high61 Ų6133.2 Ų33.231%0.31321%0.205SC..EExtended strand (participates in β ladder)trans-100.1124.1173.8-52-56.7000109.9S92 K118 K124 A125S92-I120 PolarHBondContact O-N 3.45Å; K118-I120 HydrophobicContact CD-CD1 4.42Å; K118-I120 HydrophobicContact CG-CD1 4.41Å; I120-K124 CarbonylContact C-O 3.42Å; I120-K124 VanDerWaalsContact CA-O 3.31Å; I120-K124 WeakPolarHBondContact CA-O 3.4Å; I120-A125 HydrophobicContact CD1-CB 3.6Å
121I98.3Very high96.9Very high6 Ų628.5 Ų28.53%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-133.9124176-57.2175.7000107.7L28 L31 F91 V119 G123 K124 Y126L28-I121 HydrophobicContact CB-CD1 4.34Å; L28-I121 HydrophobicContact CD1-CD1 4.34Å; L31-I121 HydrophobicContact CB-CD1 4.08Å; L31-I121 HydrophobicContact CD2-CD1 3.69Å; F91-I121 HydrophobicContact CD1-CD1 4.15Å; F91-I121 HydrophobicContact CD1-CG1 4.21Å; F91-I121 HydrophobicContact CE1-CD1 3.77Å; F91-I121 HydrophobicContact CE1-CG1 4.23Å; V119-I121 HydrophobicContact CG1-CD1 4.34Å; V119-I121 HydrophobicContact CG1-CG1 4.07Å; I121-G123 PolarHBondContact O-N 3.5Å; I121-G123 VanDerWaalsContact O-N 3.15Å; I121-K124 PolarHBondContact N-O 2.83Å; I121-K124 WeakPolarHBondContact O-CB 3.43Å; I121-K124 PolarHBondContact O-N 3.24Å; I121-Y126 HydrophobicContact CB-CD2 4.42Å; I121-Y126 HydrophobicContact CB-CE2 4.06Å; I121-Y126 HydrophobicContact CD1-CD2 4.5Å
122D96.4Very high97.4Very high152 Ų15228.1 Ų28.181%0.81316%0.162SC*.THydrogen-bonded Turntrans48.542.2179.9-56.9-33.3000113.5K124D122-K124 PolarHBondContact O-N 2.86Å
123G97.2Very high97.7Very high74 Ų7426.5 Ų26.576%0.76315%0.154SC*.THydrogen-bonded Turntrans76.7-0.3-179.400000115.4I121I121-G123 PolarHBondContact O-N 3.5Å; I121-G123 VanDerWaalsContact O-N 3.15Å
124K98.4Very high98.1Very high104 Ų10425.6 Ų25.645%0.45215%0.147SC..EExtended strand (participates in β ladder)trans-102.3141178.4-63.3179.6173.9-164.10111.5I120 I121 D122 Y126 E143I120-K124 CarbonylContact C-O 3.42Å; I120-K124 VanDerWaalsContact CA-O 3.31Å; I120-K124 WeakPolarHBondContact CA-O 3.4Å; I121-K124 PolarHBondContact N-O 2.83Å; I121-K124 WeakPolarHBondContact O-CB 3.43Å; I121-K124 PolarHBondContact O-N 3.24Å; D122-K124 PolarHBondContact O-N 2.86Å; K124-Y126 HydrophobicContact CB-CE2 3.64Å; K124-Y126 WeakPolarHBondContact CD-OH 3.24Å; K124-E143 IonicContact NZ-OE1 3.58Å
125A98.6Very high98.1Very high24 Ų2425.6 Ų25.620%0.19815%0.149CC..EExtended strand (participates in β ladder)trans-95.3137.4177.700000111.6K118 V119 I120 L144K118-A125 HydrophobicContact CD-CB 4.41Å; K118-A125 HydrophobicContact CG-CB 4.34Å; V119-A125 CarbonylContact O-C 3.56Å; V119-A125 WeakPolarHBondContact O-CA 3.17Å; I120-A125 HydrophobicContact CD1-CB 3.6Å; A125-L144 HydrophobicContact CB-CB 3.96Å; A125-L144 HydrophobicContact CB-CD2 4.02Å; A125-L144 WeakPolarHBondContact O-CB 3.44Å; A125-L144 PolarHBondContact O-N 3.24Å
126Y98.9Very high98.1Very high16 Ų1625.9 Ų25.96%0.06315%0.151CC..EExtended strand (participates in β ladder)trans-129.3146.4176.4-59.1-93.9000110.5L28 K118 V119 I121 K124 L142 E143L28-Y126 HydrophobicContact CD1-CD1 3.97Å; L28-Y126 HydrophobicContact CD1-CE1 3.74Å; L28-Y126 HydrophobicContact CD1-CE2 4.33Å; L28-Y126 HydrophobicContact CD1-CG 4.37Å; L28-Y126 HydrophobicContact CD2-CE1 3.93Å; L28-Y126 HydrophobicContact CG-CE1 4.49Å; K118-Y126 CarbonylContact C-O 3.6Å; K118-Y126 VanDerWaalsContact CA-O 3.26Å; K118-Y126 WeakPolarHBondContact CA-O 3.38Å; V119-Y126 PolarHBondContact N-O 2.84Å; V119-Y126 PolarHBondContact O-N 2.81Å; I121-Y126 HydrophobicContact CB-CD2 4.42Å; I121-Y126 HydrophobicContact CB-CE2 4.06Å; I121-Y126 HydrophobicContact CD1-CD2 4.5Å; K124-Y126 HydrophobicContact CB-CE2 3.64Å; K124-Y126 WeakPolarHBondContact CD-OH 3.24Å; Y126-L142 CarbonylContact C-O 3.48Å; Y126-L142 WeakPolarHBondContact CA-O 3.22Å; Y126-E143 HydrophobicContact CD1-CB 3.93Å; Y126-E143 HydrophobicContact CD1-CG 4.23Å; Y126-E143 HydrophobicContact CE1-CB 3.78Å; Y126-E143 HydrophobicContact CE1-CG 3.8Å
127I98.9Very high98.1Very high0 Ų026 Ų260%015%0.151CC..EExtended strand (participates in β ladder)trans-96.4124.5168.9-58.8-58.4000108.7L96 I116 H117 K118 P141 L142 L144 L159 F199L96-I127 HydrophobicContact CD1-CD1 4.33Å; I116-I127 HydrophobicContact CD1-CG2 4.09Å; H117-I127 CarbonylContact O-C 3.57Å; H117-I127 WeakPolarHBondContact O-CA 3.47Å; K118-I127 HydrophobicContact CB-CD1 4.31Å; I127-P141 CarbonylContact O-C 2.98Å; I127-P141 VanDerWaalsContact O-CA 3.23Å; I127-P141 WeakPolarHBondContact O-CA 3.48Å; I127-L142 PolarHBondContact N-O 3.13Å; I127-L142 PolarHBondContact O-N 2.94Å; I127-L144 HydrophobicContact CD1-CD1 4.15Å; I127-L144 HydrophobicContact CG1-CD1 3.95Å; I127-L159 HydrophobicContact CG1-CD1 3.99Å; I127-F199 HydrophobicContact CD1-CE2 3.67Å; I127-F199 HydrophobicContact CD1-CZ 3.76Å; I127-F199 HydrophobicContact CG1-CE2 4.26Å; I127-F199 HydrophobicContact CG1-CZ 3.81Å
128A98.9Very high98.1Very high0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-114.6133.5172.600000109.7F82 H117 V119F82-A128 HydrophobicContact CE1-CB 4.04Å; H117-A128 HydrophobicContact CB-CB 4.42Å; H117-A128 PolarHBondContact N-O 3.13Å; H117-A128 PolarHBondContact O-N 2.95Å; V119-A128 HydrophobicContact CG2-CB 4.34Å
129D98.8Very high98Very high2 Ų224.9 Ų24.91%0.01115%0.146CC..  trans-154109.5180176.26.5000107.8H35 N79 H114 I116 S131 Q137 I138 Y197H35-D129 PolarHBondContact CE1-O 3.5Å; H35-D129 PolarHBondContact NE2-N 2.86Å; H35-D129 VanDerWaalsContact NE2-N 3.19Å; H35-D129 PolarHBondContact NE2-O 3.5Å; H35-D129 VanDerWaalsContact NE2-O 3.17Å; N79-D129 PolarHBondContact ND2-OD1 3.4Å; H114-D129 IonicContact CD2-OD2 3.07Å; H114-D129 IonicContact CE1-OD1 2.78Å; H114-D129 IonicContact CE1-OD2 3.9Å; H114-D129 IonicContact NE2-OD1 2.83Å; H114-D129 IonicContact NE2-OD2 3.2Å; H114-D129 PolarHBondContact NE2-OD2 3.09Å; I116-D129 HydrophobicContact CB-CB 4.39Å; I116-D129 HydrophobicContact CG2-CB 3.89Å; D129-S131 PolarHBondContact OD1-N 3.39Å; D129-Q137 PolarHBondContact O-NE2 3.17Å; D129-I138 HydrophobicContact CB-CD1 4.17Å; D129-I138 HydrophobicContact CB-CG1 4.43Å; D129-I138 WeakPolarHBondContact O-CG1 3.42Å; D129-Y197 VanDerWaalsContact OD2-CE1 3.3Å; D129-Y197 WeakPolarHBondContact OD2-CE1 3.48Å
130V98.8Very high98Very high3 Ų327.9 Ų27.92%0.01816%0.16CC..SBendtrans-100.59.4-175.6-62.30000113H38 V39 N79 F82H38-V130 HydrophobicContact CB-CB 4.41Å; H38-V130 HydrophobicContact CB-CG1 4.23Å; H38-V130 VanDerWaalsContact CD2-CB 3.42Å; H38-V130 WeakPolarHBondContact CD2-CB 3.42Å; H38-V130 VanDerWaalsContact CD2-CG2 3.47Å; H38-V130 WeakPolarHBondContact CD2-CG2 3.2Å; H38-V130 WeakPolarHBondContact NE2-CG2 3.37Å; V39-V130 HydrophobicContact CG1-CB 3.92Å; V39-V130 HydrophobicContact CG1-CG1 4.25Å; N79-V130 WeakPolarHBondContact OD1-CG2 3.39Å; N79-V130 PolarHBondContact OD1-N 3.1Å; F82-V130 HydrophobicContact CB-CG2 3.63Å; F82-V130 HydrophobicContact CD1-CG1 3.86Å; F82-V130 HydrophobicContact CD1-CG2 4.2Å; F82-V130 HydrophobicContact CD2-CG1 3.94Å; F82-V130 HydrophobicContact CD2-CG2 4.19Å; F82-V130 HydrophobicContact CE1-CG1 3.86Å; F82-V130 HydrophobicContact CE2-CG1 3.95Å; F82-V130 HydrophobicContact CG-CG1 3.9Å; F82-V130 HydrophobicContact CG-CG2 3.75Å; F82-V130 HydrophobicContact CZ-CG1 3.91Å
131S96.9Very high98Very high0 Ų025.2 Ų25.20%015%0.147CC..  trans-155.347.5-169.4-161.40000115.2F44 W74 C75 N78 D129F44-S131 WeakPolarHBondContact CD2-O 3.25Å; F44-S131 WeakPolarHBondContact CD2-OG 3.43Å; W74-S131 PolarHBondContact O-OG 3.38Å; C75-S131 WeakPolarHBondContact CA-O 3.2Å; C75-S131 VanDerWaalsContact CB-O 3.25Å; C75-S131 WeakPolarHBondContact CB-O 3.39Å; N78-S131 VanDerWaalsContact CB-OG 3.32Å; N78-S131 WeakPolarHBondContact CB-OG 3.33Å; N78-S131 PolarHBondContact ND2-OG 3.38Å; N78-S131 VanDerWaalsContact ND2-OG 3.08Å; D129-S131 PolarHBondContact OD1-N 3.39Å
132F97.9Very high98Very high39 Ų3925 Ų2517%0.17115%0.145CC..SBendtrans-90-34161.8-164.4-82.4000111.6A100 H114 S136 I196 Y197A100-F132 HydrophobicContact CB-CE2 4.4Å; H114-F132 AromaticContact CE1-CD2 3.79Å; H114-F132 AromaticContact NE2-CD2 3.6Å; F132-S136 VanDerWaalsContact CE1-CB 3.43Å; F132-I196 HydrophobicContact CD1-CG2 4.02Å; F132-I196 HydrophobicContact CD2-CG2 3.85Å; F132-I196 HydrophobicContact CE1-CG2 3.64Å; F132-I196 HydrophobicContact CE2-CG2 3.48Å; F132-I196 VanDerWaalsContact CE2-CG2 3.48Å; F132-I196 HydrophobicContact CG-CG2 4.11Å; F132-I196 HydrophobicContact CZ-CG2 3.34Å; F132-Y197 AromaticContact CD2-CD1 3.7Å; F132-Y197 HydrophobicContact CD2-CD1 3.7Å; F132-Y197 HydrophobicContact CD2-CE1 4.07Å; F132-Y197 AromaticContact CE2-CD1 3.77Å; F132-Y197 HydrophobicContact CE2-CD1 3.77Å
133G96.1Very high98.1Very high2 Ų219.1 Ų19.12%0.02111%0.113CC..  trans84.4174174.900000115.5S136 Q137G133-S136 PolarHBondContact O-N 3.15Å; G133-Q137 PolarHBondContact O-N 2.89Å; G133-Q137 VanDerWaalsContact O-N 3.11Å
134V97.8Very high98.2Very high2 Ų216.9 Ų16.91%0.0128%0.084CC..G310 helixtrans46.5-145.9176.8-58.80000113.7S136 Q137 S231 Q233 F238 A240 Y295 L297V134-S136 PolarHBondContact O-N 2.95Å; V134-Q137 WeakPolarHBondContact O-CB 3.43Å; V134-Q137 PolarHBondContact O-N 3.27Å; V134-S231 PolarHBondContact N-OG 3.44Å; V134-Q233 PolarHBondContact O-NE2 3.18Å; V134-F238 HydrophobicContact CB-CD2 4.25Å; V134-F238 HydrophobicContact CB-CE2 3.71Å; V134-F238 HydrophobicContact CB-CZ 4.04Å; V134-F238 HydrophobicContact CG1-CD2 4.42Å; V134-F238 HydrophobicContact CG1-CE2 3.99Å; V134-A240 HydrophobicContact CG1-CB 4.36Å; V134-Y295 HydrophobicContact CG1-CE1 4.23Å; V134-Y295 VanDerWaalsContact CG1-OH 3.32Å; V134-Y295 WeakPolarHBondContact CG1-OH 3.35Å; V134-L297 VanDerWaalsContact CB-OXT 3.28Å; V134-L297 WeakPolarHBondContact CB-OXT 3.29Å; V134-L297 HydrophobicContact CG1-CD2 4.2Å; V134-L297 WeakPolarHBondContact CG2-OXT 3.48Å
135S96.7Very high98.2Very high11 Ų1114.8 Ų14.88%0.0778%0.08CC..G310 helixtrans-69.6-7.1-179.167.60000114.9K170 L297S135-K170 WeakPolarHBondContact O-CD 3.35Å; S135-K170 WeakPolarHBondContact O-CE 3.46Å; S135-K170 PolarHBondContact O-NZ 3.22Å; S135-L297 WeakPolarHBondContact CA-OXT 3.35Å; S135-L297 WeakPolarHBondContact CB-OXT 3.47Å; S135-L297 PolarHBondContact N-OXT 2.93Å; S135-L297 VanDerWaalsContact OG-C 3.23Å; S135-L297 PolarHBondContact OG-O 2.99Å; S135-L297 PolarHBondContact OG-OXT 2.85Å
136S97.1Very high98.2Very high6 Ų616.5 Ų16.54%0.0429%0.09CC..G310 helixtrans-99.5-2.9-177.7-54.60000112.1F132 G133 V134 I138 K194F132-S136 VanDerWaalsContact CE1-CB 3.43Å; G133-S136 PolarHBondContact O-N 3.15Å; V134-S136 PolarHBondContact O-N 2.95Å; S136-I138 PolarHBondContact O-N 2.9Å; S136-K194 PolarHBondContact OG-NZ 2.82Å
137Q98.5Very high98.2Very high4 Ų417.7 Ų17.72%0.01911%0.107CC..  trans-70.1123174.5-17453.159.300111.1V39 D129 G133 V134 Q233V39-Q137 HydrophobicContact CB-CG 4.09Å; V39-Q137 HydrophobicContact CG1-CG 3.94Å; D129-Q137 PolarHBondContact O-NE2 3.17Å; G133-Q137 PolarHBondContact O-N 2.89Å; G133-Q137 VanDerWaalsContact O-N 3.11Å; V134-Q137 WeakPolarHBondContact O-CB 3.43Å; V134-Q137 PolarHBondContact O-N 3.27Å; Q137-Q233 HydrophobicContact CB-CG 4.3Å; Q137-Q233 HydrophobicContact CG-CG 3.82Å
138I98.7Very high98.2Very high2 Ų221.7 Ų21.71%0.0112%0.124CC..  trans-73.6139.816657.8170.4000109.3H35 D129 S136 L142 F157H35-I138 PolarHBondContact CE1-O 3.3Å; H35-I138 VanDerWaalsContact CE1-O 3.29Å; D129-I138 HydrophobicContact CB-CD1 4.17Å; D129-I138 HydrophobicContact CB-CG1 4.43Å; D129-I138 WeakPolarHBondContact O-CG1 3.42Å; S136-I138 PolarHBondContact O-N 2.9Å; I138-L142 HydrophobicContact CD1-CD1 4.48Å; I138-L142 HydrophobicContact CD1-CG 4.2Å; I138-L142 HydrophobicContact CG2-CD1 3.78Å; I138-L142 HydrophobicContact CG2-CD2 4.4Å; I138-L142 HydrophobicContact CG2-CG 4.07Å; I138-F157 HydrophobicContact CG2-CD1 3.65Å; I138-F157 HydrophobicContact CG2-CD2 4.09Å; I138-F157 HydrophobicContact CG2-CE1 3.51Å; I138-F157 HydrophobicContact CG2-CE2 3.98Å; I138-F157 HydrophobicContact CG2-CG 3.92Å; I138-F157 HydrophobicContact CG2-CZ 3.68Å
139W98.4Very high98.2Very high14 Ų1425.7 Ų25.75%0.05315%0.146CC..SBendtrans-91-26.2175.5-72.811.2000112.1H35 K36 M40 A153 Q233 T234 Y251H35-W139 PolarHBondContact ND1-O 3.29Å; K36-W139 WeakPolarHBondContact CA-O 3.39Å; K36-W139 PolarHBondContact N-O 3.1Å; M40-W139 HydrophobicContact CE-CD2 4.04Å; M40-W139 HydrophobicContact CE-CE3 3.7Å; M40-W139 HydrophobicContact CE-CH2 3.91Å; M40-W139 HydrophobicContact CE-CZ2 4.22Å; M40-W139 HydrophobicContact CE-CZ3 3.64Å; W139-A153 HydrophobicContact CD2-CB 4.15Å; W139-A153 HydrophobicContact CE3-CB 3.6Å; W139-A153 HydrophobicContact CH2-CB 3.62Å; W139-A153 HydrophobicContact CZ2-CB 4.16Å; W139-A153 HydrophobicContact CZ3-CB 3.32Å; W139-Q233 HydrophobicContact CZ2-CB 4.46Å; W139-T234 WeakPolarHBondContact CH2-O 3.34Å; W139-T234 WeakPolarHBondContact CZ2-O 3.38Å; W139-Y251 HydrophobicContact CH2-CD2 4.4Å; W139-Y251 HydrophobicContact CH2-CE2 4.39Å; W139-Y251 HydrophobicContact CZ2-CD2 4.21Å; W139-Y251 AromaticContact CZ2-CE2 3.76Å; W139-Y251 HydrophobicContact CZ2-CE2 3.76Å
140E97.9Very high98.2Very high64 Ų6426.8 Ų26.830%0.29915%0.151SC..SBendtrans-130.5152.1179.5-67.1-178.9-160.500110.4R32 Q152R32-E140 HydrophobicContact CB-CG 4.34Å; R32-E140 WeakPolarHBondContact CD-OE2 3.45Å; R32-E140 HydrophobicContact CG-CB 4.17Å; R32-E140 HydrophobicContact CG-CG 4.08Å; R32-E140 IonicContact CZ-OE2 2.71Å; R32-E140 IonicContact NE-OE2 3.54Å; R32-E140 PolarHBondContact NE-OE2 3.46Å; E140-Q152 PolarHBondContact O-NE2 3.18Å
141P98.8Very high98.1Very high5 Ų531.5 Ų31.53%0.03218%0.182CC..PPolyproline II helixtrans-56.7140.9174.4-16.625.3000112.1L31 H35 I127L31-P141 HydrophobicContact CB-CG 4.48Å; L31-P141 HydrophobicContact CD1-CG 4.45Å; L31-P141 HydrophobicContact CD2-CB 4.02Å; L31-P141 HydrophobicContact CD2-CG 3.51Å; L31-P141 HydrophobicContact CG-CG 3.5Å; H35-P141 HydrophobicContact CB-CG 4.5Å; I127-P141 CarbonylContact O-C 2.98Å; I127-P141 VanDerWaalsContact O-CA 3.23Å; I127-P141 WeakPolarHBondContact O-CA 3.48Å
142L98.9Very high98.2Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-94.7127.8177.8-63.1178.5000110Y126 I127 I138 L144 Q150 F157 L159 L168Y126-L142 CarbonylContact C-O 3.48Å; Y126-L142 WeakPolarHBondContact CA-O 3.22Å; I127-L142 PolarHBondContact N-O 3.13Å; I127-L142 PolarHBondContact O-N 2.94Å; I138-L142 HydrophobicContact CD1-CD1 4.48Å; I138-L142 HydrophobicContact CD1-CG 4.2Å; I138-L142 HydrophobicContact CG2-CD1 3.78Å; I138-L142 HydrophobicContact CG2-CD2 4.4Å; I138-L142 HydrophobicContact CG2-CG 4.07Å; L142-L144 PolarHBondContact O-N 2.84Å; L142-Q150 HydrophobicContact CD2-CB 3.78Å; L142-Q150 HydrophobicContact CD2-CG 4.42Å; L142-F157 HydrophobicContact CD1-CB 3.86Å; L142-F157 HydrophobicContact CD1-CG 4.36Å; L142-F157 HydrophobicContact CD2-CB 3.85Å; L142-F157 HydrophobicContact CD2-CG 4.44Å; L142-L159 HydrophobicContact CB-CD1 3.91Å; L142-L159 HydrophobicContact CD1-CG 4.47Å; L142-L168 HydrophobicContact CD1-CD1 3.38Å; L142-L168 HydrophobicContact CD1-CD2 4.36Å
143E98.8Very high98Very high30 Ų3032.9 Ų32.914%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-64131.7171.5-161-179.4-176.500109.2K124 Y126 V145 K148 Q150K124-E143 IonicContact NZ-OE1 3.58Å; Y126-E143 HydrophobicContact CD1-CB 3.93Å; Y126-E143 HydrophobicContact CD1-CG 4.23Å; Y126-E143 HydrophobicContact CE1-CB 3.78Å; Y126-E143 HydrophobicContact CE1-CG 3.8Å; E143-V145 HydrophobicContact CG-CG2 3.9Å; E143-V145 PolarHBondContact O-N 3.47Å; E143-K148 IonicContact OE2-NZ 2.73Å; E143-K148 PolarHBondContact OE2-NZ 3.46Å; E143-Q150 PolarHBondContact O-NE2 2.91Å
144L98.7Very high98Very high26 Ų2632.8 Ų32.814%0.13619%0.194CC..  trans-78.270.9-177.2-172.664.9000110.3K118 A125 I127 L142 L159 W166 F199 L201K118-L144 HydrophobicContact CD-CD2 4.41Å; A125-L144 HydrophobicContact CB-CB 3.96Å; A125-L144 HydrophobicContact CB-CD2 4.02Å; A125-L144 WeakPolarHBondContact O-CB 3.44Å; A125-L144 PolarHBondContact O-N 3.24Å; I127-L144 HydrophobicContact CD1-CD1 4.15Å; I127-L144 HydrophobicContact CG1-CD1 3.95Å; L142-L144 PolarHBondContact O-N 2.84Å; L144-L159 HydrophobicContact CD1-CD1 3.94Å; L144-W166 HydrophobicContact CD1-CD2 3.69Å; L144-W166 HydrophobicContact CD1-CE3 3.62Å; L144-W166 HydrophobicContact CD1-CG 4.32Å; L144-W166 HydrophobicContact CD1-CH2 4Å; L144-W166 HydrophobicContact CD1-CZ2 4.11Å; L144-W166 HydrophobicContact CD1-CZ3 3.77Å; L144-W166 HydrophobicContact CG-CH2 4.06Å; L144-W166 HydrophobicContact CG-CZ2 4.12Å; L144-W166 HydrophobicContact CG-CZ3 4.29Å; L144-F199 HydrophobicContact CD1-CE2 4.27Å; L144-F199 HydrophobicContact CD1-CZ 4.03Å; L144-L201 HydrophobicContact CD2-CD1 4.23Å; L144-L201 HydrophobicContact CD2-CD2 3.78Å
145V98.6Very high97.9Very high61 Ų6132.9 Ų32.937%0.3720%0.196SC..  trans-125.9119178.3177.90000108.6E143 G147 K148E143-V145 HydrophobicContact CG-CG2 3.9Å; E143-V145 PolarHBondContact O-N 3.47Å; V145-G147 PolarHBondContact O-N 3.41Å; V145-K148 HydrophobicContact CB-CB 3.96Å; V145-K148 HydrophobicContact CB-CD 4.1Å; V145-K148 HydrophobicContact CG1-CB 3.88Å; V145-K148 HydrophobicContact CG1-CD 4.35Å; V145-K148 PolarHBondContact O-N 3.36Å
146S98.6Very high98Very high60 Ų6034.6 Ų34.642%0.4221%0.205SC..BIsolated β-bridgetrans-61.6132.6-178.9-170.40000111.2K148 L159 D161S146-K148 PolarHBondContact O-N 2.92Å; S146-L159 CarbonylContact C-O 3.53Å; S146-L159 VanDerWaalsContact CA-O 3.29Å; S146-L159 WeakPolarHBondContact CA-O 3.36Å; S146-D161 WeakPolarHBondContact OG-CB 3.27Å; S146-D161 PolarHBondContact OG-N 3.16Å
147G98.4Very high98.1Very high41 Ų4134.3 Ų34.342%0.42320%0.203SC..THydrogen-bonded Turntrans78.2-5.3175.600000115.4V145 D149 L159V145-G147 PolarHBondContact O-N 3.41Å; G147-D149 PolarHBondContact O-N 3.14Å; G147-L159 PolarHBondContact N-O 3.37Å
148K98.6Very high98.1Very high83 Ų8337.8 Ų37.836%0.36122%0.216SC..  trans-74.3122.7-178.1-179.4176.8176.6171.90111.4E143 V145 S146 Q150E143-K148 IonicContact OE2-NZ 2.73Å; E143-K148 PolarHBondContact OE2-NZ 3.46Å; V145-K148 HydrophobicContact CB-CB 3.96Å; V145-K148 HydrophobicContact CB-CD 4.1Å; V145-K148 HydrophobicContact CG1-CB 3.88Å; V145-K148 HydrophobicContact CG1-CD 4.35Å; V145-K148 PolarHBondContact O-N 3.36Å; S146-K148 PolarHBondContact O-N 2.92Å; K148-Q150 HydrophobicContact CD-CG 4.34Å; K148-Q150 HydrophobicContact CG-CG 4.05Å
149D98.8Very high98.1Very high85 Ų8537.7 Ų37.746%0.45522%0.216SC..EExtended strand (participates in β ladder)trans-69.1127.6168.5-76-14.1000110.8G147 V156 R158G147-D149 PolarHBondContact O-N 3.14Å; D149-V156 HydrophobicContact CB-CG1 3.81Å; D149-R158 IonicContact OD1-CZ 3.11Å; D149-R158 IonicContact OD1-NE 2.7Å; D149-R158 PolarHBondContact OD1-NE 2.99Å; D149-R158 IonicContact OD1-NH2 2.68Å; D149-R158 PolarHBondContact OD1-NH2 3.21Å; D149-R158 IonicContact OD2-NH2 3.42Å; D149-R158 PolarHBondContact OD2-NH2 3.48Å
150Q98.6Very high98.1Very high24 Ų2438.4 Ų38.411%0.11222%0.22CC..EExtended strand (participates in β ladder)trans-126.985.5-179.4-60.9-172.575.200109L142 E143 K148 Q152 F157L142-Q150 HydrophobicContact CD2-CB 3.78Å; L142-Q150 HydrophobicContact CD2-CG 4.42Å; E143-Q150 PolarHBondContact O-NE2 2.91Å; K148-Q150 HydrophobicContact CD-CG 4.34Å; K148-Q150 HydrophobicContact CG-CG 4.05Å; Q150-Q152 PolarHBondContact O-N 2.9Å; Q150-F157 PolarHBondContact N-O 2.89Å; Q150-F157 PolarHBondContact O-N 2.97Å; Q150-F157 VanDerWaalsContact O-N 3.08Å
151P98.2Very high98.1Very high102 Ų10238.6 Ų38.666%0.66222%0.223SC*.EExtended strand (participates in β ladder)trans-64.3132.8179.6-19.532.5000111.4V156P151-V156 HydrophobicContact CB-CG2 4.46Å
152Q97.5Very high98.1Very high33 Ų3345 Ų4515%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-135.8175.2170.5-61.3-169.36.600109.4E140 Q150 A154 G155 F157E140-Q152 PolarHBondContact O-NE2 3.18Å; Q150-Q152 PolarHBondContact O-N 2.9Å; Q152-A154 PolarHBondContact O-N 3.33Å; Q152-G155 CarbonylContact C-O 3.54Å; Q152-G155 PolarHBondContact N-O 3.2Å; Q152-G155 PolarHBondContact O-N 2.98Å; Q152-F157 HydrophobicContact CB-CD2 4.19Å; Q152-F157 HydrophobicContact CB-CE2 4.1Å; Q152-F157 HydrophobicContact CG-CD2 4.14Å; Q152-F157 HydrophobicContact CG-CE2 4.4Å
153A94.8Very high97.9Very high35 Ų3548 Ų4829%0.28928%0.281SS..THydrogen-bonded Turntrans-54.4-40.9-17900000112.5W139 G155 R173 Y251W139-A153 HydrophobicContact CD2-CB 4.15Å; W139-A153 HydrophobicContact CE3-CB 3.6Å; W139-A153 HydrophobicContact CH2-CB 3.62Å; W139-A153 HydrophobicContact CZ2-CB 4.16Å; W139-A153 HydrophobicContact CZ3-CB 3.32Å; A153-G155 VanDerWaalsContact C-N 3.28Å; A153-G155 PolarHBondContact O-N 2.66Å; A153-R173 VanDerWaalsContact O-CZ 3.31Å; A153-R173 PolarHBondContact O-NH1 2.8Å; A153-R173 VanDerWaalsContact O-NH1 3.09Å; A153-R173 PolarHBondContact O-NH2 3.37Å; A153-Y251 HydrophobicContact CB-CD2 4.04Å; A153-Y251 HydrophobicContact CB-CE2 4.49Å
154A95.2Very high97.6Very high0 Ų053.7 Ų53.70%031%0.312CS..THydrogen-bonded Turntrans-72.6-13.5-178.500000114.8Q152 F157 K170 R173 Y251Q152-A154 PolarHBondContact O-N 3.33Å; A154-F157 HydrophobicContact CB-CE2 4.31Å; A154-F157 HydrophobicContact CB-CZ 4.37Å; A154-K170 WeakPolarHBondContact O-CE 3.31Å; A154-K170 PolarHBondContact O-NZ 3.03Å; A154-R173 PolarHBondContact O-NH2 3.08Å; A154-Y251 HydrophobicContact CB-CE1 4.25Å; A154-Y251 HydrophobicContact CB-CE2 3.81Å; A154-Y251 WeakPolarHBondContact CB-OH 3.45Å
155G97Very high97.5Very high5 Ų554.5 Ų54.55%0.05232%0.317CS..EExtended strand (participates in β ladder)trans138.3-163.7-17300000112Q152 A153Q152-G155 CarbonylContact C-O 3.54Å; Q152-G155 PolarHBondContact N-O 3.2Å; Q152-G155 PolarHBondContact O-N 2.98Å; A153-G155 VanDerWaalsContact C-N 3.28Å; A153-G155 PolarHBondContact O-N 2.66Å
156V98.5Very high97.5Very high46 Ų4653 Ų5328%0.27930%0.304SS..EExtended strand (participates in β ladder)trans-100.6123.5179.7-175.70000109.2D149 P151 K170 T171D149-V156 HydrophobicContact CB-CG1 3.81Å; P151-V156 HydrophobicContact CB-CG2 4.46Å; V156-K170 WeakPolarHBondContact O-CA 2.76Å; V156-T171 PolarHBondContact N-O 2.97Å; V156-T171 PolarHBondContact O-N 3Å
157F98.8Very high97.5Very high0 Ų051.3 Ų51.30%029%0.29CS..EExtended strand (participates in β ladder)trans-98.3148.3172.7-66.2-90.1000110.3I138 L142 Q150 Q152 A154 L168 E169 K170 I196I138-F157 HydrophobicContact CG2-CD1 3.65Å; I138-F157 HydrophobicContact CG2-CD2 4.09Å; I138-F157 HydrophobicContact CG2-CE1 3.51Å; I138-F157 HydrophobicContact CG2-CE2 3.98Å; I138-F157 HydrophobicContact CG2-CG 3.92Å; I138-F157 HydrophobicContact CG2-CZ 3.68Å; L142-F157 HydrophobicContact CD1-CB 3.86Å; L142-F157 HydrophobicContact CD1-CG 4.36Å; L142-F157 HydrophobicContact CD2-CB 3.85Å; L142-F157 HydrophobicContact CD2-CG 4.44Å; Q150-F157 PolarHBondContact N-O 2.89Å; Q150-F157 PolarHBondContact O-N 2.97Å; Q150-F157 VanDerWaalsContact O-N 3.08Å; Q152-F157 HydrophobicContact CB-CD2 4.19Å; Q152-F157 HydrophobicContact CB-CE2 4.1Å; Q152-F157 HydrophobicContact CG-CD2 4.14Å; Q152-F157 HydrophobicContact CG-CE2 4.4Å; A154-F157 HydrophobicContact CB-CE2 4.31Å; A154-F157 HydrophobicContact CB-CZ 4.37Å; F157-L168 HydrophobicContact CB-CD1 4.24Å; F157-L168 HydrophobicContact CD1-CD1 4.11Å; F157-E169 WeakPolarHBondContact CA-O 3.44Å; F157-K170 HydrophobicContact CD1-CB 3.96Å; F157-K170 HydrophobicContact CD1-CD 4.4Å; F157-K170 HydrophobicContact CD1-CG 4.2Å; F157-K170 HydrophobicContact CE1-CB 4.01Å; F157-K170 HydrophobicContact CE1-CD 3.7Å; F157-K170 HydrophobicContact CE1-CG 4.01Å; F157-K170 HydrophobicContact CZ-CD 3.77Å; F157-K170 HydrophobicContact CZ-CG 4.32Å; F157-I196 HydrophobicContact CD1-CD1 4.03Å; F157-I196 HydrophobicContact CE1-CD1 3.69Å
158R98.7Very high97.6Very high77 Ų7749.4 Ų49.429%0.29127%0.27SS..EExtended strand (participates in β ladder)trans-143.6134.4176.1-166.9-175.4-67.9164-9.5110.1D149 I160 E169D149-R158 IonicContact OD1-CZ 3.11Å; D149-R158 IonicContact OD1-NE 2.7Å; D149-R158 PolarHBondContact OD1-NE 2.99Å; D149-R158 IonicContact OD1-NH2 2.68Å; D149-R158 PolarHBondContact OD1-NH2 3.21Å; D149-R158 IonicContact OD2-NH2 3.42Å; D149-R158 PolarHBondContact OD2-NH2 3.48Å; R158-I160 VanDerWaalsContact CD-CD1 3.41Å; R158-I160 HydrophobicContact CG-CD1 3.77Å; R158-I160 HydrophobicContact CG-CG1 4.45Å; R158-E169 HydrophobicContact CB-CG 3.88Å; R158-E169 WeakPolarHBondContact CD-OE1 3.31Å; R158-E169 PolarHBondContact N-O 3.42Å; R158-E169 IonicContact NH1-OE1 3.4Å; R158-E169 PolarHBondContact NH1-OE1 3.07Å; R158-E169 PolarHBondContact O-N 3.23Å
159L98.9Very high97.5Very high0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-96130.6170.1-73.5166.6000107.9I127 L142 L144 S146 G147 W166 I167 L168 F199I127-L159 HydrophobicContact CG1-CD1 3.99Å; L142-L159 HydrophobicContact CB-CD1 3.91Å; L142-L159 HydrophobicContact CD1-CG 4.47Å; L144-L159 HydrophobicContact CD1-CD1 3.94Å; S146-L159 CarbonylContact C-O 3.53Å; S146-L159 VanDerWaalsContact CA-O 3.29Å; S146-L159 WeakPolarHBondContact CA-O 3.36Å; G147-L159 PolarHBondContact N-O 3.37Å; L159-W166 HydrophobicContact CB-CE3 3.96Å; L159-W166 HydrophobicContact CB-CZ3 4.02Å; L159-I167 CarbonylContact C-O 3.53Å; L159-I167 WeakPolarHBondContact CA-O 3.42Å; L159-L168 HydrophobicContact CD2-CB 4.03Å; L159-L168 HydrophobicContact CD2-CD1 3.96Å; L159-L168 HydrophobicContact CG-CD1 4.28Å; L159-F199 HydrophobicContact CD2-CE1 3.79Å; L159-F199 HydrophobicContact CD2-CZ 3.9Å
160I98.6Very high97.5Very high30 Ų3043.6 Ų43.615%0.15424%0.242CC..EExtended strand (participates in β ladder)trans-119.7119179.8-57.3-63000108.7R158 K162 W166 I167 E169R158-I160 VanDerWaalsContact CD-CD1 3.41Å; R158-I160 HydrophobicContact CG-CD1 3.77Å; R158-I160 HydrophobicContact CG-CG1 4.45Å; I160-K162 HydrophobicContact CG2-CD 4Å; I160-K162 HydrophobicContact CG2-CG 4.3Å; I160-W166 CarbonylContact O-C 3.59Å; I160-W166 WeakPolarHBondContact O-CA 3.42Å; I160-I167 HydrophobicContact CB-CB 4.44Å; I160-I167 PolarHBondContact N-O 3.33Å; I160-I167 PolarHBondContact O-N 3.11Å; I160-E169 HydrophobicContact CG1-CG 4.42Å
161D98.2Very high97.5Very high67 Ų6744.3 Ų44.336%0.35825%0.248SC..EExtended strand (participates in β ladder)trans-80.6126.4170.2-168.5-6.6000110S146 G163 W166S146-D161 WeakPolarHBondContact OG-CB 3.27Å; S146-D161 PolarHBondContact OG-N 3.16Å; D161-G163 WeakPolarHBondContact OD1-CA 3.5Å; D161-G163 PolarHBondContact OD1-N 2.72Å; D161-W166 HydrophobicContact CB-CD2 4.13Å; D161-W166 HydrophobicContact CB-CE3 4.07Å; D161-W166 HydrophobicContact CB-CH2 3.75Å; D161-W166 HydrophobicContact CB-CZ2 3.75Å; D161-W166 HydrophobicContact CB-CZ3 3.9Å
162K97.2Very high97.4Very high141 Ų14140.3 Ų40.361%0.61323%0.225SC*.  trans-112.715.3174.9-63.4-63.4-169.4-178.20112.2I160 D164 I165 I167I160-K162 HydrophobicContact CG2-CD 4Å; I160-K162 HydrophobicContact CG2-CG 4.3Å; K162-D164 PolarHBondContact O-N 3.45Å; K162-I165 HydrophobicContact CB-CG1 3.98Å; K162-I165 PolarHBondContact N-O 3.3Å; K162-I167 HydrophobicContact CG-CD1 3.9Å
163G95.2Very high97.3Very high61 Ų6141.1 Ų41.163%0.62923%0.227SC*.SBendtrans93.1-75.6-17600000111.1D161D161-G163 WeakPolarHBondContact OD1-CA 3.5Å; D161-G163 PolarHBondContact OD1-N 2.72Å
164D92.9Very high97.4Very high150 Ų15046.9 Ų46.980%0.80225%0.245SC*.SBendtrans-84.3-23.7-176.4-62.8-31000113.1K162K162-D164 PolarHBondContact O-N 3.45Å
165I97Very high97.5Very high44 Ų4448.4 Ų48.423%0.22626%0.255CS..  trans-135.5149.4-176.364.4173.9000111.1K162 I167 C198 T200K162-I165 HydrophobicContact CB-CG1 3.98Å; K162-I165 PolarHBondContact N-O 3.3Å; I165-I167 HydrophobicContact CD1-CD1 4.43Å; I165-I167 HydrophobicContact CD1-CG1 4.38Å; I165-C198 HydrophobicContact CD1-CB 4.37Å; I165-T200 HydrophobicContact CG2-CG2 4.25Å
166W98.7Very high97.5Very high28 Ų2853.4 Ų53.411%0.10628%0.275CS..EExtended strand (participates in β ladder)trans-99.8143.7165.4-74.278.6000109.8L144 L159 I160 D161 C198 F199L144-W166 HydrophobicContact CD1-CD2 3.69Å; L144-W166 HydrophobicContact CD1-CE3 3.62Å; L144-W166 HydrophobicContact CD1-CG 4.32Å; L144-W166 HydrophobicContact CD1-CH2 4Å; L144-W166 HydrophobicContact CD1-CZ2 4.11Å; L144-W166 HydrophobicContact CD1-CZ3 3.77Å; L144-W166 HydrophobicContact CG-CH2 4.06Å; L144-W166 HydrophobicContact CG-CZ2 4.12Å; L144-W166 HydrophobicContact CG-CZ3 4.29Å; L159-W166 HydrophobicContact CB-CE3 3.96Å; L159-W166 HydrophobicContact CB-CZ3 4.02Å; I160-W166 CarbonylContact O-C 3.59Å; I160-W166 WeakPolarHBondContact O-CA 3.42Å; D161-W166 HydrophobicContact CB-CD2 4.13Å; D161-W166 HydrophobicContact CB-CE3 4.07Å; D161-W166 HydrophobicContact CB-CH2 3.75Å; D161-W166 HydrophobicContact CB-CZ2 3.75Å; D161-W166 HydrophobicContact CB-CZ3 3.9Å; W166-C198 CarbonylContact O-C 3.48Å; W166-C198 WeakPolarHBondContact O-CA 2.97Å; W166-C198 VanDerWaalsContact O-CB 3.29Å; W166-C198 WeakPolarHBondContact O-CB 3.34Å; W166-F199 HydrophobicContact CB-CD1 4.03Å; W166-F199 HydrophobicContact CB-CD2 4.05Å; W166-F199 HydrophobicContact CB-CE1 3.62Å; W166-F199 HydrophobicContact CB-CE2 3.65Å; W166-F199 HydrophobicContact CB-CG 4.23Å; W166-F199 HydrophobicContact CB-CZ 3.42Å; W166-F199 VanDerWaalsContact CB-CZ 3.42Å; W166-F199 HydrophobicContact CG-CE2 4.01Å; W166-F199 HydrophobicContact CG-CZ 4.02Å; W166-F199 PolarHBondContact N-O 3.1Å; W166-F199 PolarHBondContact O-N 3.39Å
167I98.6Very high97.5Very high25 Ų2553 Ų5313%0.12827%0.272CS..EExtended strand (participates in β ladder)trans-120.5128175.4-62.1172.4000108.5F108 L159 I160 K162 I165 P195 C198F108-I167 HydrophobicContact CE2-CD1 3.93Å; F108-I167 HydrophobicContact CE2-CG1 4.07Å; F108-I167 HydrophobicContact CZ-CB 4.41Å; F108-I167 HydrophobicContact CZ-CD1 4.04Å; F108-I167 HydrophobicContact CZ-CG1 3.87Å; F108-I167 HydrophobicContact CZ-CG2 3.79Å; L159-I167 CarbonylContact C-O 3.53Å; L159-I167 WeakPolarHBondContact CA-O 3.42Å; I160-I167 HydrophobicContact CB-CB 4.44Å; I160-I167 PolarHBondContact N-O 3.33Å; I160-I167 PolarHBondContact O-N 3.11Å; K162-I167 HydrophobicContact CG-CD1 3.9Å; I165-I167 HydrophobicContact CD1-CD1 4.43Å; I165-I167 HydrophobicContact CD1-CG1 4.38Å; I167-P195 HydrophobicContact CG2-CB 4.26Å; I167-C198 HydrophobicContact CG1-CB 4.05Å
168L98.8Very high97.5Very high1 Ų157 Ų571%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-89.4124164.1178.761.8000108.8L142 F157 L159 I196 Y197L142-L168 HydrophobicContact CD1-CD1 3.38Å; L142-L168 HydrophobicContact CD1-CD2 4.36Å; F157-L168 HydrophobicContact CB-CD1 4.24Å; F157-L168 HydrophobicContact CD1-CD1 4.11Å; L159-L168 HydrophobicContact CD2-CB 4.03Å; L159-L168 HydrophobicContact CD2-CD1 3.96Å; L159-L168 HydrophobicContact CG-CD1 4.28Å; L168-I196 HydrophobicContact CD2-CB 4.31Å; L168-I196 HydrophobicContact CD2-CD1 4.04Å; L168-I196 HydrophobicContact CD2-CG2 4.41Å; L168-I196 HydrophobicContact CG-CB 4.27Å; L168-I196 HydrophobicContact CG-CD1 4.11Å; L168-I196 PolarHBondContact O-N 3.15Å; L168-Y197 HydrophobicContact CB-CD2 4.05Å; L168-Y197 HydrophobicContact CB-CE2 3.79Å; L168-Y197 HydrophobicContact CD2-CD1 4.39Å; L168-Y197 HydrophobicContact CD2-CE1 3.65Å; L168-Y197 HydrophobicContact CD2-CE2 4.01Å; L168-Y197 VanDerWaalsContact CD2-CZ 3.43Å; L168-Y197 WeakPolarHBondContact CD2-OH 3.35Å; L168-Y197 PolarHBondContact N-O 3.04Å
169E98.3Very high97.4Very high40 Ų4055.2 Ų55.219%0.18729%0.29CS..EExtended strand (participates in β ladder)trans-119.8158.1169.566.5-179.6-172.400111.3F157 R158 I160 K194F157-E169 WeakPolarHBondContact CA-O 3.44Å; R158-E169 HydrophobicContact CB-CG 3.88Å; R158-E169 WeakPolarHBondContact CD-OE1 3.31Å; R158-E169 PolarHBondContact N-O 3.42Å; R158-E169 IonicContact NH1-OE1 3.4Å; R158-E169 PolarHBondContact NH1-OE1 3.07Å; R158-E169 PolarHBondContact O-N 3.23Å; I160-E169 HydrophobicContact CG1-CG 4.42Å; E169-K194 WeakPolarHBondContact CA-O 3.32Å
170K98.1Very high97.3Very high6 Ų660.4 Ų60.43%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-133.2133175.8177.5-177.6-175.7-116.60110.6S135 A154 V156 F157 T193 K194 I196S135-K170 WeakPolarHBondContact O-CD 3.35Å; S135-K170 WeakPolarHBondContact O-CE 3.46Å; S135-K170 PolarHBondContact O-NZ 3.22Å; A154-K170 WeakPolarHBondContact O-CE 3.31Å; A154-K170 PolarHBondContact O-NZ 3.03Å; V156-K170 WeakPolarHBondContact O-CA 2.76Å; F157-K170 HydrophobicContact CD1-CB 3.96Å; F157-K170 HydrophobicContact CD1-CD 4.4Å; F157-K170 HydrophobicContact CD1-CG 4.2Å; F157-K170 HydrophobicContact CE1-CB 4.01Å; F157-K170 HydrophobicContact CE1-CD 3.7Å; F157-K170 HydrophobicContact CE1-CG 4.01Å; F157-K170 HydrophobicContact CZ-CD 3.77Å; F157-K170 HydrophobicContact CZ-CG 4.32Å; K170-T193 CarbonylContact O-C 3.49Å; K170-T193 VanDerWaalsContact O-CA 3.3Å; K170-T193 WeakPolarHBondContact O-CA 3.38Å; K170-K194 PolarHBondContact N-O 2.84Å; K170-K194 PolarHBondContact O-N 3.33Å; K170-I196 HydrophobicContact CB-CD1 3.62Å; K170-I196 HydrophobicContact CB-CG1 4.22Å; K170-I196 HydrophobicContact CD-CD1 4.45Å
171T98.1Very high97.2Very high40 Ų4066.3 Ų66.325%0.24535%0.35CS..EExtended strand (participates in β ladder)trans-98.4111.7164.4-58.70000108.5V156 E192 T193V156-T171 PolarHBondContact N-O 2.97Å; V156-T171 PolarHBondContact O-N 3Å; T171-E192 CarbonylContact C-O 3.42Å; T171-E192 WeakPolarHBondContact CA-O 3.43Å; T171-E192 HydrophobicContact CG2-CG 4.07Å; T171-T193 PolarHBondContact OG1-OG1 3.49Å
172G96.1Very high97.2Very high17 Ų1763.7 Ų63.718%0.17534%0.336CS..  trans-93.2-179.2178.400000113E192G172-E192 PolarHBondContact N-O 3.08Å
173R95.6Very high97.1Very high51 Ų5159.4 Ų59.419%0.19233%0.327CS..PPolyproline II helixtrans-98.8170.6173.7-75.2172.7-64-95.5-9.8111.1A153 A154 D258A153-R173 VanDerWaalsContact O-CZ 3.31Å; A153-R173 PolarHBondContact O-NH1 2.8Å; A153-R173 VanDerWaalsContact O-NH1 3.09Å; A153-R173 PolarHBondContact O-NH2 3.37Å; A154-R173 PolarHBondContact O-NH2 3.08Å; R173-D258 IonicContact CZ-OD1 3.66Å; R173-D258 VanDerWaalsContact CZ-OD1 3.27Å; R173-D258 IonicContact NE-OD1 2.66Å; R173-D258 PolarHBondContact NE-OD1 2.74Å; R173-D258 IonicContact NH2-OD1 3.87Å; R173-D258 PolarHBondContact NH2-OD1 3.46Å; R173-D258 IonicContact NH2-OD2 3.73Å
174K96.5Very high97.1Very high156 Ų15666.2 Ų66.268%0.67834%0.339SS*.EExtended strand (participates in β ladder)trans-67.3127178.1-177177.9179.2179.60110G256 V257 D258K174-G256 PolarHBondContact N-O 2.83Å; K174-V257 HydrophobicContact CB-CG1 4.44Å; K174-V257 CarbonylContact O-C 3.6Å; K174-V257 VanDerWaalsContact O-CA 3.23Å; K174-V257 WeakPolarHBondContact O-CA 3.29Å; K174-V257 WeakPolarHBondContact O-CB 3.39Å; K174-D258 PolarHBondContact O-N 3.07Å
175P97Very high97.2Very high32 Ų3260 Ų6021%0.20831%0.307CS..EExtended strand (participates in β ladder)trans-73.7135.217531.3-36.1000110.6V188 N189 R190 D258 L260P175-V188 HydrophobicContact CB-CG1 3.69Å; P175-V188 HydrophobicContact CG-CG1 3.86Å; P175-N189 WeakPolarHBondContact CG-O 3.38Å; P175-R190 HydrophobicContact CG-CG 3.96Å; P175-D258 CarbonylContact C-O 3.53Å; P175-D258 WeakPolarHBondContact CA-O 3.33Å; P175-L260 HydrophobicContact CB-CD1 3.66Å
176K97.8Very high97Very high110 Ų11062.1 Ų62.148%0.47833%0.326SS..EExtended strand (participates in β ladder)trans-119.6100.7170.3178.7173.9171.6-172.30108.8L178 D258 L259 L260K176-L178 HydrophobicContact CG-CD2 4.49Å; K176-D258 PolarHBondContact N-O 3.13Å; K176-L259 HydrophobicContact CB-CD2 3.92Å; K176-L259 HydrophobicContact CD-CD2 3.65Å; K176-L259 HydrophobicContact CG-CD2 4.01Å; K176-L259 WeakPolarHBondContact O-CA 3.45Å; K176-L260 PolarHBondContact O-N 3.22Å
177V98.3Very high96.8Very high36 Ų3660.9 Ų60.922%0.21832%0.321CS..EExtended strand (participates in β ladder)trans-77.1123.7176.9-172.10000108.9N179 F182 V188 L260 M262V177-N179 VanDerWaalsContact CG1-O 3.27Å; V177-N179 WeakPolarHBondContact CG1-O 3.16Å; V177-F182 HydrophobicContact CG1-CB 3.8Å; V177-V188 HydrophobicContact CG2-CG1 4.12Å; V177-V188 HydrophobicContact CG2-CG2 3.9Å; V177-L260 HydrophobicContact CG2-CB 4.5Å; V177-M262 HydrophobicContact CG1-SD 4.38Å
178L98.1Very high96.7Very high85 Ų8560 Ų6045%0.44532%0.317SS..SBendtrans-79.3-40.1-177.7-59.9-175.6000111.9K176 P180 L259 L260 D261K176-L178 HydrophobicContact CG-CD2 4.49Å; L178-P180 WeakPolarHBondContact O-CD 3.42Å; L178-L259 HydrophobicContact CD2-CD2 4.39Å; L178-L260 PolarHBondContact N-O 3.3Å; L178-D261 HydrophobicContact CD1-CB 4.17Å
179N97.6Very high96.3Very high40 Ų4061.1 Ų61.121%0.21432%0.323CS..SBendtrans-86.6115.1176.9-176-13.5000111.1V177 E181 F182 M262V177-N179 VanDerWaalsContact CG1-O 3.27Å; V177-N179 WeakPolarHBondContact CG1-O 3.16Å; N179-E181 PolarHBondContact O-N 3.28Å; N179-E181 VanDerWaalsContact O-N 3.15Å; N179-E181 WeakPolarHBondContact OD1-CB 3.48Å; N179-E181 PolarHBondContact OD1-N 3.42Å; N179-F182 HydrophobicContact CB-CD2 4.02Å; N179-F182 PolarHBondContact O-N 2.79Å; N179-F182 VanDerWaalsContact O-N 3.07Å; N179-M262 WeakPolarHBondContact CB-O 3.42Å; N179-M262 PolarHBondContact ND2-O 3.07Å
180P96.6Very high96Very high108 Ų10865.4 Ų65.470%0.70134%0.338SS*.G310 helixtrans-59.1-26.4-178.6-24.735.4000114.8L178 F182 A183L178-P180 WeakPolarHBondContact O-CD 3.42Å; P180-F182 PolarHBondContact O-N 3.47Å; P180-A183 WeakPolarHBondContact O-CB 3.25Å; P180-A183 PolarHBondContact O-N 2.79Å
181E97.4Very high95.5Very high154 Ų15469.1 Ų69.172%0.7235%0.354SS*.G310 helixtrans-60.5-30.4177.2-64.3-176164.900112N179N179-E181 PolarHBondContact O-N 3.28Å; N179-E181 VanDerWaalsContact O-N 3.15Å; N179-E181 WeakPolarHBondContact OD1-CB 3.48Å; N179-E181 PolarHBondContact OD1-N 3.42Å
182F97.3Very high95.1Very high13 Ų1374 Ų746%0.05737%0.374CS..G310 helixtrans-94.95.4179.5-66.2-89.6000113.2V177 N179 P180 K184 S185 I245 M262V177-F182 HydrophobicContact CG1-CB 3.8Å; N179-F182 HydrophobicContact CB-CD2 4.02Å; N179-F182 PolarHBondContact O-N 2.79Å; N179-F182 VanDerWaalsContact O-N 3.07Å; P180-F182 PolarHBondContact O-N 3.47Å; F182-K184 PolarHBondContact O-N 2.85Å; F182-S185 VanDerWaalsContact O-CB 3.25Å; F182-S185 WeakPolarHBondContact O-CB 3.32Å; F182-S185 PolarHBondContact O-N 3.18Å; F182-I245 HydrophobicContact CD1-CG2 4.41Å; F182-I245 HydrophobicContact CE1-CD1 4.32Å; F182-I245 HydrophobicContact CE1-CG1 4.31Å; F182-I245 HydrophobicContact CE1-CG2 3.68Å; F182-I245 HydrophobicContact CZ-CG2 4.28Å; F182-M262 HydrophobicContact CB-CB 4.02Å; F182-M262 HydrophobicContact CB-CE 4.39Å; F182-M262 HydrophobicContact CB-CG 4.45Å; F182-M262 HydrophobicContact CB-SD 3.76Å; F182-M262 HydrophobicContact CD1-CB 3.99Å; F182-M262 HydrophobicContact CD1-CE 3.71Å; F182-M262 HydrophobicContact CD1-SD 4.18Å; F182-M262 HydrophobicContact CD2-CB 3.71Å; F182-M262 WeakPolarHBondContact CD2-O 3.43Å; F182-M262 HydrophobicContact CE1-CB 4.39Å; F182-M262 HydrophobicContact CE1-CE 4.35Å; F182-M262 HydrophobicContact CE2-CB 4.14Å; F182-M262 WeakPolarHBondContact CE2-O 3.36Å; F182-M262 HydrophobicContact CG-CB 3.62Å; F182-M262 HydrophobicContact CG-CE 4.25Å; F182-M262 HydrophobicContact CG-CG 4.45Å; F182-M262 HydrophobicContact CG-SD 4.11Å; F182-M262 HydrophobicContact CZ-CB 4.45Å
183A95.1Very high95Very high51 Ų5176.1 Ų76.142%0.42138%0.383SS..THydrogen-bonded Turntrans-57.6-24.7-177.200000113.6P180 R190P180-A183 WeakPolarHBondContact O-CB 3.25Å; P180-A183 PolarHBondContact O-N 2.79Å; A183-R190 PolarHBondContact O-NH2 3.33Å
184K94.7Very high95Very high204 Ų20474.9 Ų74.989%0.88738%0.379SS*.THydrogen-bonded Turntrans-112.113175.9-63.6-176.8-178.3176.90113.7F182 S186F182-K184 PolarHBondContact O-N 2.85Å; K184-S186 PolarHBondContact O-N 3.06Å
185S94.8Very high95Very high18 Ų1869.3 Ų69.313%0.12636%0.359CS..  trans-58135.8179.9176.90000111.3F182 L187 V188 R190F182-S185 VanDerWaalsContact O-CB 3.25Å; F182-S185 WeakPolarHBondContact O-CB 3.32Å; F182-S185 PolarHBondContact O-N 3.18Å; S185-L187 PolarHBondContact O-N 3.1Å; S185-L187 WeakPolarHBondContact OG-CB 3.17Å; S185-L187 PolarHBondContact OG-N 2.9Å; S185-V188 PolarHBondContact O-N 2.93Å; S185-R190 PolarHBondContact O-NH1 2.9Å
186S93.1Very high95Very high89 Ų8968 Ų6862%0.62235%0.35SS*.THydrogen-bonded Turntrans-69.3-16.4174.861.80000112.6K184 V188K184-S186 PolarHBondContact O-N 3.06Å; S186-V188 PolarHBondContact O-N 3.11Å
187L95.3Very high95Very high3 Ų362.8 Ų62.82%0.01633%0.328CS..THydrogen-bonded Turntrans-73.1-17175.5-64.4-179.5000112.4S185 N189 I242 I245 M262 Y295 T296 L297S185-L187 PolarHBondContact O-N 3.1Å; S185-L187 WeakPolarHBondContact OG-CB 3.17Å; S185-L187 PolarHBondContact OG-N 2.9Å; L187-N189 PolarHBondContact O-N 3.31Å; L187-I242 HydrophobicContact CD1-CB 4.19Å; L187-I242 HydrophobicContact CD1-CG1 4.31Å; L187-I242 HydrophobicContact CD2-CG2 4.19Å; L187-I245 HydrophobicContact CD1-CB 4.33Å; L187-I245 HydrophobicContact CD1-CD1 3.92Å; L187-I245 HydrophobicContact CD1-CG2 4.09Å; L187-M262 HydrophobicContact CB-CE 4.26Å; L187-M262 HydrophobicContact CD1-CE 4.18Å; L187-Y295 WeakPolarHBondContact CD2-O 3.49Å; L187-T296 CarbonylContact O-C 3.57Å; L187-T296 VanDerWaalsContact O-CA 3.22Å; L187-T296 WeakPolarHBondContact O-CA 3.21Å; L187-T296 WeakPolarHBondContact O-CB 3.38Å; L187-L297 HydrophobicContact CB-CD1 4.39Å; L187-L297 HydrophobicContact CB-CG 4.14Å; L187-L297 PolarHBondContact O-N 3.34Å
188V95.3Very high95Very high6 Ų661.1 Ų61.14%0.03632%0.317CS..SBendtrans-89.4109.8-177.4-178.50000109.9P175 V177 S185 S186 R190 L260 M262P175-V188 HydrophobicContact CB-CG1 3.69Å; P175-V188 HydrophobicContact CG-CG1 3.86Å; V177-V188 HydrophobicContact CG2-CG1 4.12Å; V177-V188 HydrophobicContact CG2-CG2 3.9Å; S185-V188 PolarHBondContact O-N 2.93Å; S186-V188 PolarHBondContact O-N 3.11Å; V188-R190 HydrophobicContact CG1-CG 4.29Å; V188-R190 PolarHBondContact O-N 3.14Å; V188-R190 PolarHBondContact O-NH1 2.76Å; V188-L260 HydrophobicContact CB-CD2 4.36Å; V188-L260 HydrophobicContact CG1-CD2 4.03Å; V188-L260 HydrophobicContact CG2-CD2 3.79Å; V188-M262 HydrophobicContact CG2-SD 3.93Å
189N90.9Very high95.1Very high25 Ų2557.2 Ų57.213%0.13430%0.297CS..  trans-73127.1171.8179.838.7000111R103 P175 L187 K191 K194 T296R103-N189 PolarHBondContact NH1-OD1 3.16Å; P175-N189 WeakPolarHBondContact CG-O 3.38Å; L187-N189 PolarHBondContact O-N 3.31Å; N189-K191 PolarHBondContact ND2-O 2.82Å; N189-K191 PolarHBondContact OD1-N 2.91Å; N189-K191 VanDerWaalsContact OD1-N 3.07Å; N189-K194 WeakPolarHBondContact ND2-CD 3.49Å; N189-K194 WeakPolarHBondContact ND2-CE 3.45Å; N189-T296 HydrophobicContact CB-CG2 4.03Å
190R91.6Very high95.1Very high129 Ų12957.4 Ų57.449%0.48730%0.299SS..  trans-115.21.8177.5-63.3173.6-173.273.7-1.3113.4P175 A183 S185 V188P175-R190 HydrophobicContact CG-CG 3.96Å; A183-R190 PolarHBondContact O-NH2 3.33Å; S185-R190 PolarHBondContact O-NH1 2.9Å; V188-R190 HydrophobicContact CG1-CG 4.29Å; V188-R190 PolarHBondContact O-N 3.14Å; V188-R190 PolarHBondContact O-NH1 2.76Å
191K89.3Confident95.1Very high85 Ų8555.4 Ų55.437%0.3728%0.283SS..  trans-77126.2169.4-72-169.6173.5-172.40107.9D106 N189D106-K191 IonicContact OD1-NZ 2.6Å; N189-K191 PolarHBondContact ND2-O 2.82Å; N189-K191 PolarHBondContact OD1-N 2.91Å; N189-K191 VanDerWaalsContact OD1-N 3.07Å
192E88.8Confident95.2Very high142 Ų14252.9 Ų52.966%0.66427%0.271SS*.SBendtrans-62.8-57.9179.3-178.9172.6-162.800110.9T171 G172T171-E192 CarbonylContact C-O 3.42Å; T171-E192 WeakPolarHBondContact CA-O 3.43Å; T171-E192 HydrophobicContact CG2-CG 4.07Å; G172-E192 PolarHBondContact N-O 3.08Å
193T94.8Very high95.2Very high61 Ų6156.3 Ų56.337%0.37429%0.294SS..EExtended strand (participates in β ladder)trans-106136.3172.8-52.50000110.7K170 T171K170-T193 CarbonylContact O-C 3.49Å; K170-T193 VanDerWaalsContact O-CA 3.3Å; K170-T193 WeakPolarHBondContact O-CA 3.38Å; T171-T193 PolarHBondContact OG1-OG1 3.49Å
194K94.4Very high95.3Very high25 Ų2556 Ų5611%0.10928%0.282CS..EExtended strand (participates in β ladder)trans-141.4142.9173.760.1173.3174179.10112S136 E169 K170 N189S136-K194 PolarHBondContact OG-NZ 2.82Å; E169-K194 WeakPolarHBondContact CA-O 3.32Å; K170-K194 PolarHBondContact N-O 2.84Å; K170-K194 PolarHBondContact O-N 3.33Å; N189-K194 WeakPolarHBondContact ND2-CD 3.49Å; N189-K194 WeakPolarHBondContact ND2-CE 3.45Å
195P96.8Very high95.4Very high39 Ų3953.1 Ų53.125%0.25327%0.272SS..EExtended strand (participates in β ladder)trans-64.3145.516128.4-33.7000110.1F101 F108 I167F101-P195 HydrophobicContact CB-CB 4.31Å; F101-P195 HydrophobicContact CB-CG 4.25Å; F101-P195 HydrophobicContact CD1-CG 3.82Å; F101-P195 HydrophobicContact CD2-CB 3.91Å; F101-P195 HydrophobicContact CD2-CG 3.36Å; F101-P195 HydrophobicContact CE1-CG 3.92Å; F101-P195 HydrophobicContact CE2-CB 4.41Å; F101-P195 HydrophobicContact CE2-CG 3.47Å; F101-P195 VanDerWaalsContact CE2-CG 3.47Å; F101-P195 HydrophobicContact CG-CB 4.08Å; F101-P195 HydrophobicContact CG-CG 3.53Å; F101-P195 HydrophobicContact CZ-CG 3.75Å; F108-P195 HydrophobicContact CE1-CB 4.18Å; F108-P195 HydrophobicContact CZ-CB 4.05Å; I167-P195 HydrophobicContact CG2-CB 4.26Å
196I97.4Very high95.2Very high4 Ų453.6 Ų53.62%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-105.3-60.6177.9-62179.9000109.2F101 F132 F157 L168 K170F101-I196 WeakPolarHBondContact CB-O 3.15Å; F101-I196 PolarHBondContact N-O 2.74Å; F132-I196 HydrophobicContact CD1-CG2 4.02Å; F132-I196 HydrophobicContact CD2-CG2 3.85Å; F132-I196 HydrophobicContact CE1-CG2 3.64Å; F132-I196 HydrophobicContact CE2-CG2 3.48Å; F132-I196 VanDerWaalsContact CE2-CG2 3.48Å; F132-I196 HydrophobicContact CG-CG2 4.11Å; F132-I196 HydrophobicContact CZ-CG2 3.34Å; F157-I196 HydrophobicContact CD1-CD1 4.03Å; F157-I196 HydrophobicContact CE1-CD1 3.69Å; L168-I196 HydrophobicContact CD2-CB 4.31Å; L168-I196 HydrophobicContact CD2-CD1 4.04Å; L168-I196 HydrophobicContact CD2-CG2 4.41Å; L168-I196 HydrophobicContact CG-CB 4.27Å; L168-I196 HydrophobicContact CG-CD1 4.11Å; L168-I196 PolarHBondContact O-N 3.15Å; K170-I196 HydrophobicContact CB-CD1 3.62Å; K170-I196 HydrophobicContact CB-CG1 4.22Å; K170-I196 HydrophobicContact CD-CD1 4.45Å
197Y98.3Very high95.3Very high1 Ų154.5 Ų54.50%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-153.3163.5176.655.8-113.2000111.2R99 F108 H114 I116 D129 F132 L168 F199R99-Y197 CarbonylContact O-C 3.58Å; R99-Y197 WeakPolarHBondContact O-CA 3.39Å; R99-Y197 VanDerWaalsContact O-CB 3.22Å; R99-Y197 WeakPolarHBondContact O-CB 3.46Å; F108-Y197 VanDerWaalsContact CE1-C 3.4Å; H114-Y197 AromaticContact CD2-CD1 3.74Å; H114-Y197 AromaticContact CD2-CE1 3.93Å; H114-Y197 AromaticContact NE2-CE1 3.91Å; I116-Y197 HydrophobicContact CD1-CE2 3.89Å; I116-Y197 HydrophobicContact CG2-CE1 4.48Å; D129-Y197 VanDerWaalsContact OD2-CE1 3.3Å; D129-Y197 WeakPolarHBondContact OD2-CE1 3.48Å; F132-Y197 AromaticContact CD2-CD1 3.7Å; F132-Y197 HydrophobicContact CD2-CD1 3.7Å; F132-Y197 HydrophobicContact CD2-CE1 4.07Å; F132-Y197 AromaticContact CE2-CD1 3.77Å; F132-Y197 HydrophobicContact CE2-CD1 3.77Å; L168-Y197 HydrophobicContact CB-CD2 4.05Å; L168-Y197 HydrophobicContact CB-CE2 3.79Å; L168-Y197 HydrophobicContact CD2-CD1 4.39Å; L168-Y197 HydrophobicContact CD2-CE1 3.65Å; L168-Y197 HydrophobicContact CD2-CE2 4.01Å; L168-Y197 VanDerWaalsContact CD2-CZ 3.43Å; L168-Y197 WeakPolarHBondContact CD2-OH 3.35Å; L168-Y197 PolarHBondContact N-O 3.04Å; Y197-F199 AromaticContact CD2-CD1 3.84Å; Y197-F199 HydrophobicContact CD2-CD1 3.84Å; Y197-F199 HydrophobicContact CD2-CE1 4.4Å; Y197-F199 AromaticContact CE2-CD1 3.69Å; Y197-F199 HydrophobicContact CE2-CD1 3.69Å; Y197-F199 AromaticContact CE2-CE1 3.91Å; Y197-F199 HydrophobicContact CE2-CE1 3.91Å
198C98.4Very high95.3Very high1 Ų156.5 Ų56.51%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-118.1154.8167.776.40000111.7S98 R99 F108 I165 W166 I167S98-C198 CarbonylContact C-O 3.56Å; S98-C198 WeakPolarHBondContact CA-O 3.24Å; S98-C198 VanDerWaalsContact CB-O 3.24Å; S98-C198 WeakPolarHBondContact CB-O 3.25Å; R99-C198 PolarHBondContact N-O 3.1Å; R99-C198 PolarHBondContact NE-SG 2.9Å; R99-C198 VanDerWaalsContact NE-SG 3.38Å; R99-C198 PolarHBondContact NH2-SG 3.28Å; R99-C198 PolarHBondContact O-N 3.4Å; F108-C198 HydrophobicContact CD1-CB 3.82Å; F108-C198 HydrophobicContact CD2-CB 3.94Å; F108-C198 HydrophobicContact CE1-CB 3.74Å; F108-C198 HydrophobicContact CE2-CB 3.85Å; F108-C198 HydrophobicContact CG-CB 3.92Å; F108-C198 WeakPolarHBondContact CG-SG 3.21Å; F108-C198 HydrophobicContact CZ-CB 3.75Å; I165-C198 HydrophobicContact CD1-CB 4.37Å; W166-C198 CarbonylContact O-C 3.48Å; W166-C198 WeakPolarHBondContact O-CA 2.97Å; W166-C198 VanDerWaalsContact O-CB 3.29Å; W166-C198 WeakPolarHBondContact O-CB 3.34Å; I167-C198 HydrophobicContact CG1-CB 4.05Å
199F98.5Very high95.4Very high4 Ų456.2 Ų56.22%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-150.9162.1179.860.5-82.9000112.2L96 S97 I116 I127 L144 L159 W166 Y197 L201L96-F199 HydrophobicContact CD1-CD2 3.98Å; L96-F199 HydrophobicContact CD1-CE2 4.28Å; S97-F199 WeakPolarHBondContact O-CB 3.37Å; I116-F199 HydrophobicContact CD1-CB 4.04Å; I116-F199 HydrophobicContact CD1-CD1 3.86Å; I116-F199 HydrophobicContact CD1-CD2 4.07Å; I116-F199 HydrophobicContact CD1-CE1 4.31Å; I116-F199 HydrophobicContact CD1-CE2 4.5Å; I116-F199 HydrophobicContact CD1-CG 3.74Å; I127-F199 HydrophobicContact CD1-CE2 3.67Å; I127-F199 HydrophobicContact CD1-CZ 3.76Å; I127-F199 HydrophobicContact CG1-CE2 4.26Å; I127-F199 HydrophobicContact CG1-CZ 3.81Å; L144-F199 HydrophobicContact CD1-CE2 4.27Å; L144-F199 HydrophobicContact CD1-CZ 4.03Å; L159-F199 HydrophobicContact CD2-CE1 3.79Å; L159-F199 HydrophobicContact CD2-CZ 3.9Å; W166-F199 HydrophobicContact CB-CD1 4.03Å; W166-F199 HydrophobicContact CB-CD2 4.05Å; W166-F199 HydrophobicContact CB-CE1 3.62Å; W166-F199 HydrophobicContact CB-CE2 3.65Å; W166-F199 HydrophobicContact CB-CG 4.23Å; W166-F199 HydrophobicContact CB-CZ 3.42Å; W166-F199 VanDerWaalsContact CB-CZ 3.42Å; W166-F199 HydrophobicContact CG-CE2 4.01Å; W166-F199 HydrophobicContact CG-CZ 4.02Å; W166-F199 PolarHBondContact N-O 3.1Å; W166-F199 PolarHBondContact O-N 3.39Å; Y197-F199 AromaticContact CD2-CD1 3.84Å; Y197-F199 HydrophobicContact CD2-CD1 3.84Å; Y197-F199 HydrophobicContact CD2-CE1 4.4Å; Y197-F199 AromaticContact CE2-CD1 3.69Å; Y197-F199 HydrophobicContact CE2-CD1 3.69Å; Y197-F199 AromaticContact CE2-CE1 3.91Å; Y197-F199 HydrophobicContact CE2-CE1 3.91Å; F199-L201 HydrophobicContact CD2-CD2 4.26Å; F199-L201 HydrophobicContact CE2-CD2 3.86Å
200T97.8Very high95.5Very high43 Ų4358.8 Ų58.826%0.26429%0.29SS..  trans-105.8166.4166700000109.1I165 E202I165-T200 HydrophobicContact CG2-CG2 4.25Å; T200-E202 PolarHBondContact O-N 3.31Å; T200-E202 WeakPolarHBondContact OG1-CB 3.4Å; T200-E202 PolarHBondContact OG1-N 3.12Å
201L97.8Very high95.6Very high67 Ų6760.4 Ų60.435%0.35130%0.302SS..SBendtrans-86.812.8175.1-57.2-178.4000113L96 K118 L144 F199 P203L96-L201 HydrophobicContact CD1-CD2 4.24Å; K118-L201 HydrophobicContact CD-CD2 4.44Å; L144-L201 HydrophobicContact CD2-CD1 4.23Å; L144-L201 HydrophobicContact CD2-CD2 3.78Å; F199-L201 HydrophobicContact CD2-CD2 4.26Å; F199-L201 HydrophobicContact CE2-CD2 3.86Å; L201-P203 WeakPolarHBondContact O-CD 3.38Å
202E97.8Very high95.8Very high101 Ų10157.9 Ų57.947%0.47229%0.292SS..  trans-69.9121.1178.8-168.4-177.4160.900110.4L96 T200 R204L96-E202 WeakPolarHBondContact CD2-O 3.32Å; T200-E202 PolarHBondContact O-N 3.31Å; T200-E202 WeakPolarHBondContact OG1-CB 3.4Å; T200-E202 PolarHBondContact OG1-N 3.12Å; E202-R204 PolarHBondContact O-N 2.67Å; E202-R204 IonicContact OE1-CZ 3.39Å; E202-R204 IonicContact OE1-NH1 3.27Å; E202-R204 PolarHBondContact OE1-NH1 3.28Å; E202-R204 IonicContact OE1-NH2 2.96Å; E202-R204 IonicContact OE2-CZ 3.72Å; E202-R204 IonicContact OE2-NH1 3.79Å; E202-R204 PolarHBondContact OE2-NH1 2.94Å; E202-R204 IonicContact OE2-NH2 3.83Å; E202-R204 PolarHBondContact OE2-NH2 3.31Å
203P98.1Very high96.1Very high84 Ų8451.3 Ų51.355%0.54526%0.261SS..  trans-59.8136.9176.1-23.534.3000111.8T94 L201T94-P203 HydrophobicContact CG2-CB 3.77Å; T94-P203 HydrophobicContact CG2-CG 3.94Å; L201-P203 WeakPolarHBondContact O-CD 3.38Å
204R97.9Very high96.1Very high44 Ų4453 Ų5317%0.16627%0.265CS..  trans-117.5143.7175.7-61.2-59.1-171.2-157.6-13.5111.3T95 S97 E202 H208 F209T95-R204 WeakPolarHBondContact CB-O 3.49Å; T95-R204 HydrophobicContact CG2-CB 4.45Å; T95-R204 PolarHBondContact O-N 2.71Å; S97-R204 PolarHBondContact OG-NE 3.25Å; S97-R204 VanDerWaalsContact OG-NE 3.16Å; E202-R204 PolarHBondContact O-N 2.67Å; E202-R204 IonicContact OE1-CZ 3.39Å; E202-R204 IonicContact OE1-NH1 3.27Å; E202-R204 PolarHBondContact OE1-NH1 3.28Å; E202-R204 IonicContact OE1-NH2 2.96Å; E202-R204 IonicContact OE2-CZ 3.72Å; E202-R204 IonicContact OE2-NH1 3.79Å; E202-R204 PolarHBondContact OE2-NH1 2.94Å; E202-R204 IonicContact OE2-NH2 3.83Å; E202-R204 PolarHBondContact OE2-NH2 3.31Å; R204-H208 HydrophobicContact CB-CB 4.29Å; R204-H208 PolarHBondContact NE-CE1 2.81Å; R204-F209 HydrophobicContact CB-CE2 3.89Å; R204-F209 HydrophobicContact CB-CZ 4.11Å; R204-F209 HydrophobicContact CG-CZ 4.47Å
205Q95.6Very high96.1Very high144 Ų14458.7 Ų58.767%0.67329%0.286SS*.  trans-93.3163.1167.1-61.7-56.5-36.800110.1D207 H208Q205-D207 PolarHBondContact O-N 3.39Å; Q205-H208 WeakPolarHBondContact O-CB 3.13Å; Q205-H208 PolarHBondContact O-N 3.11Å; Q205-H208 VanDerWaalsContact O-N 3.1Å
206V91.3Very high95.9Very high28 Ų2857.5 Ų57.517%0.1728%0.277CS..THydrogen-bonded Turntrans-57-34.8179.266.60000112.1M57 Y80 H208 F209 F210M57-V206 HydrophobicContact CB-CG2 4.36Å; M57-V206 HydrophobicContact CE-CG2 3.65Å; Y80-V206 HydrophobicContact CD1-CG2 4.22Å; Y80-V206 HydrophobicContact CD2-CG2 4.42Å; Y80-V206 HydrophobicContact CE1-CG2 3.71Å; Y80-V206 HydrophobicContact CE2-CB 4.09Å; Y80-V206 HydrophobicContact CE2-CG2 3.94Å; V206-H208 PolarHBondContact O-N 2.83Å; V206-H208 VanDerWaalsContact O-N 3.11Å; V206-F209 PolarHBondContact O-N 2.85Å; V206-F210 HydrophobicContact CG1-CE1 4.37Å; V206-F210 HydrophobicContact CG1-CZ 3.93Å; V206-F210 HydrophobicContact CG2-CE1 3.83Å; V206-F210 HydrophobicContact CG2-CZ 4.24Å
207D95.1Very high95.8Very high108 Ų10857.9 Ų57.958%0.57828%0.279SS*.Hα-helixtrans-57-30.1179.3-62.68000113.1Q205 F209 F210Q205-D207 PolarHBondContact O-N 3.39Å; D207-F209 PolarHBondContact O-N 3.26Å; D207-F209 VanDerWaalsContact O-N 3.11Å; D207-F210 HydrophobicContact CB-CD2 4.08Å; D207-F210 HydrophobicContact CB-CE2 4.06Å; D207-F210 PolarHBondContact O-N 3.11Å; D207-F210 WeakPolarHBondContact OD1-CE2 3.46Å; D207-F210 WeakPolarHBondContact OD1-CZ 3.38Å
208H96.3Very high95.6Very high45 Ų4565.5 Ų65.521%0.20831%0.307CS..Hα-helixtrans-56.9-28.4174.6-17481.1000112.5D112 R204 Q205 V206 K212D112-H208 IonicContact OD1-NE2 3.37Å; D112-H208 IonicContact OD2-CD2 2.73Å; D112-H208 IonicContact OD2-CE1 3.11Å; D112-H208 PolarHBondContact OD2-CE1 2.87Å; D112-H208 IonicContact OD2-NE2 2.8Å; D112-H208 PolarHBondContact OD2-NE2 2.89Å; R204-H208 HydrophobicContact CB-CB 4.29Å; R204-H208 PolarHBondContact NE-CE1 2.81Å; Q205-H208 WeakPolarHBondContact O-CB 3.13Å; Q205-H208 PolarHBondContact O-N 3.11Å; Q205-H208 VanDerWaalsContact O-N 3.1Å; V206-H208 PolarHBondContact O-N 2.83Å; V206-H208 VanDerWaalsContact O-N 3.11Å; H208-K212 PolarHBondContact CD2-NZ 3.36Å; H208-K212 PolarHBondContact CE1-NZ 2.93Å; H208-K212 VanDerWaalsContact CE1-NZ 3.3Å; H208-K212 WeakPolarHBondContact NE2-CE 3.4Å; H208-K212 PolarHBondContact NE2-NZ 3.18Å; H208-K212 VanDerWaalsContact NE2-NZ 3.16Å; H208-K212 WeakPolarHBondContact O-CD 3.48Å; H208-K212 PolarHBondContact O-NZ 2.85Å
209F96.4Very high95.3Very high0 Ų067.6 Ų67.60%032%0.318CS..Hα-helixtrans-100.1-9.9-174.2-56.9-83.3000113.6M57 L76 T95 L115 R204 V206 D207 K212 S213M57-F209 HydrophobicContact CE-CB 4.06Å; L76-F209 HydrophobicContact CD1-CB 4.48Å; L76-F209 HydrophobicContact CD2-CB 4.04Å; L76-F209 HydrophobicContact CD2-CD1 3.58Å; L76-F209 HydrophobicContact CD2-CE1 4.3Å; L76-F209 HydrophobicContact CD2-CG 3.99Å; T95-F209 HydrophobicContact CG2-CE2 3.88Å; T95-F209 HydrophobicContact CG2-CZ 4.25Å; L115-F209 HydrophobicContact CB-CD1 4.4Å; L115-F209 HydrophobicContact CB-CE1 3.9Å; L115-F209 HydrophobicContact CB-CZ 4Å; L115-F209 HydrophobicContact CD1-CD2 3.86Å; L115-F209 HydrophobicContact CD1-CE1 4.37Å; L115-F209 HydrophobicContact CD1-CE2 3.71Å; L115-F209 HydrophobicContact CD1-CG 4.26Å; L115-F209 HydrophobicContact CD1-CZ 3.97Å; L115-F209 HydrophobicContact CG-CE1 4.21Å; L115-F209 HydrophobicContact CG-CE2 4.01Å; L115-F209 HydrophobicContact CG-CZ 3.79Å; R204-F209 HydrophobicContact CB-CE2 3.89Å; R204-F209 HydrophobicContact CB-CZ 4.11Å; R204-F209 HydrophobicContact CG-CZ 4.47Å; V206-F209 PolarHBondContact O-N 2.85Å; D207-F209 PolarHBondContact O-N 3.26Å; D207-F209 VanDerWaalsContact O-N 3.11Å; F209-K212 PolarHBondContact O-N 2.87Å; F209-S213 VanDerWaalsContact O-CB 3.26Å; F209-S213 WeakPolarHBondContact O-CB 3.48Å; F209-S213 PolarHBondContact O-N 2.98Å
210F93.4Very high95.1Very high80 Ų8072.4 Ų72.435%0.35135%0.35SS..Hα-helixtrans-59.6-60.1-175.5-71.3-29.7000112.8M57 V206 D207 K212 S213 Q214M57-F210 HydrophobicContact CB-CD1 3.38Å; M57-F210 HydrophobicContact CB-CE1 3.32Å; M57-F210 HydrophobicContact CG-CD1 3.75Å; M57-F210 HydrophobicContact CG-CE1 4.18Å; V206-F210 HydrophobicContact CG1-CE1 4.37Å; V206-F210 HydrophobicContact CG1-CZ 3.93Å; V206-F210 HydrophobicContact CG2-CE1 3.83Å; V206-F210 HydrophobicContact CG2-CZ 4.24Å; D207-F210 HydrophobicContact CB-CD2 4.08Å; D207-F210 HydrophobicContact CB-CE2 4.06Å; D207-F210 PolarHBondContact O-N 3.11Å; D207-F210 WeakPolarHBondContact OD1-CE2 3.46Å; D207-F210 WeakPolarHBondContact OD1-CZ 3.38Å; F210-K212 PolarHBondContact O-N 2.92Å; F210-S213 WeakPolarHBondContact O-CB 3.23Å; F210-S213 PolarHBondContact O-N 3.21Å; F210-Q214 WeakPolarHBondContact O-CG 3.41Å; F210-Q214 PolarHBondContact O-N 3.1Å; F210-Q214 VanDerWaalsContact O-N 3.11Å
211E93.3Very high94.7Very high162 Ų16274.2 Ų74.276%0.75737%0.37SS*.Hα-helixtrans-63-35-179.7-65.3-176.9168.500111.9Q214 R215E211-Q214 PolarHBondContact O-N 3.26Å; E211-R215 WeakPolarHBondContact O-CB 3.36Å; E211-R215 PolarHBondContact O-N 2.75Å
212K93.9Very high94.5Very high33 Ų3371.8 Ų71.814%0.14336%0.358CS..Hα-helixtrans-64.3-45.5177.7-58.2-177.817564.90111.1L111 D112 H208 F209 F210 R215 I216L111-K212 HydrophobicContact CD1-CB 4.44Å; L111-K212 HydrophobicContact CD1-CD 4.3Å; L111-K212 HydrophobicContact CD1-CG 3.99Å; D112-K212 VanDerWaalsContact O-CD 3.29Å; D112-K212 WeakPolarHBondContact O-CD 3.44Å; D112-K212 WeakPolarHBondContact O-CE 3.25Å; D112-K212 WeakPolarHBondContact OD1-CE 3.27Å; D112-K212 IonicContact OD1-NZ 3.26Å; H208-K212 PolarHBondContact CD2-NZ 3.36Å; H208-K212 PolarHBondContact CE1-NZ 2.93Å; H208-K212 VanDerWaalsContact CE1-NZ 3.3Å; H208-K212 WeakPolarHBondContact NE2-CE 3.4Å; H208-K212 PolarHBondContact NE2-NZ 3.18Å; H208-K212 VanDerWaalsContact NE2-NZ 3.16Å; H208-K212 WeakPolarHBondContact O-CD 3.48Å; H208-K212 PolarHBondContact O-NZ 2.85Å; F209-K212 PolarHBondContact O-N 2.87Å; F210-K212 PolarHBondContact O-N 2.92Å; K212-R215 PolarHBondContact O-N 2.95Å; K212-I216 WeakPolarHBondContact O-CB 3.36Å; K212-I216 VanDerWaalsContact O-CD1 3.29Å; K212-I216 WeakPolarHBondContact O-CD1 3.06Å; K212-I216 WeakPolarHBondContact O-CG1 3.44Å; K212-I216 PolarHBondContact O-N 3.01Å
213S94.8Very high94.3Very high3 Ų369 Ų692%0.02135%0.346CS..Hα-helixtrans-56-50.8173.9-178.80000110.9W74 F209 F210 R215 I216 Q217W74-S213 WeakPolarHBondContact CZ2-OG 3.3Å; F209-S213 VanDerWaalsContact O-CB 3.26Å; F209-S213 WeakPolarHBondContact O-CB 3.48Å; F209-S213 PolarHBondContact O-N 2.98Å; F210-S213 WeakPolarHBondContact O-CB 3.23Å; F210-S213 PolarHBondContact O-N 3.21Å; S213-R215 VanDerWaalsContact C-N 3.32Å; S213-R215 PolarHBondContact O-N 2.89Å; S213-I216 PolarHBondContact O-N 3.07Å; S213-Q217 WeakPolarHBondContact O-CG 3.42Å; S213-Q217 PolarHBondContact O-N 3.35Å
214Q94.3Very high94.2Very high97 Ų9766.4 Ų66.445%0.45333%0.326SS..Hα-helixtrans-59.5-42178.5-61-174.17.200112.6W54 F210 E211W54-Q214 HydrophobicContact CH2-CB 4.5Å; W54-Q214 HydrophobicContact CZ2-CB 4.18Å; W54-Q214 HydrophobicContact CZ2-CG 4.01Å; F210-Q214 WeakPolarHBondContact O-CG 3.41Å; F210-Q214 PolarHBondContact O-N 3.1Å; F210-Q214 VanDerWaalsContact O-N 3.11Å; E211-Q214 PolarHBondContact O-N 3.26Å
215R94.3Very high94.1Very high145 Ų14565.8 Ų65.855%0.54733%0.328SS..Hα-helixtrans-64-49.6177.8-177.8177.4176.8174.51.1111.2E211 K212 S213 Q217 R218 D219E211-R215 WeakPolarHBondContact O-CB 3.36Å; E211-R215 PolarHBondContact O-N 2.75Å; K212-R215 PolarHBondContact O-N 2.95Å; S213-R215 VanDerWaalsContact C-N 3.32Å; S213-R215 PolarHBondContact O-N 2.89Å; R215-Q217 VanDerWaalsContact C-N 3.29Å; R215-Q217 PolarHBondContact O-N 3.2Å; R215-R218 PolarHBondContact O-N 2.8Å; R215-D219 HydrophobicContact CG-CB 4.27Å; R215-D219 IonicContact NE-OD2 3.44Å; R215-D219 PolarHBondContact NE-OD2 3.31Å; R215-D219 IonicContact NH2-OD2 3.81Å; R215-D219 VanDerWaalsContact O-CB 3.22Å; R215-D219 WeakPolarHBondContact O-CB 3.29Å; R215-D219 PolarHBondContact O-N 3.11Å
216I93Very high94.2Very high13 Ų1360.2 Ų60.27%0.06730%0.303CS..Hα-helixtrans-66.5-29.5-171-67.4162.5000112.9W74 L111 S113 K212 S213 S222 F224W74-I216 HydrophobicContact CE3-CG2 4.49Å; W74-I216 HydrophobicContact CH2-CB 4.31Å; W74-I216 HydrophobicContact CH2-CG2 4.23Å; W74-I216 HydrophobicContact CZ3-CB 4.27Å; W74-I216 HydrophobicContact CZ3-CG2 3.71Å; L111-I216 HydrophobicContact CD2-CD1 3.6Å; L111-I216 HydrophobicContact CD2-CG1 3.46Å; L111-I216 VanDerWaalsContact CD2-CG1 3.46Å; S113-I216 VanDerWaalsContact OG-CD1 3.31Å; S113-I216 WeakPolarHBondContact OG-CD1 3.28Å; K212-I216 WeakPolarHBondContact O-CB 3.36Å; K212-I216 VanDerWaalsContact O-CD1 3.29Å; K212-I216 WeakPolarHBondContact O-CD1 3.06Å; K212-I216 WeakPolarHBondContact O-CG1 3.44Å; K212-I216 PolarHBondContact O-N 3.01Å; S213-I216 PolarHBondContact O-N 3.07Å; I216-S222 WeakPolarHBondContact CG2-OG 3.47Å; I216-S222 WeakPolarHBondContact O-CB 3.3Å; I216-S222 PolarHBondContact O-OG 3.36Å; I216-F224 HydrophobicContact CG2-CB 4.29Å; I216-F224 HydrophobicContact CG2-CD2 3.19Å; I216-F224 HydrophobicContact CG2-CE2 3.74Å; I216-F224 HydrophobicContact CG2-CG 4.05Å
217Q95.1Very high94.4Very high12 Ų1259.1 Ų59.16%0.05630%0.295CS..THydrogen-bonded Turntrans-85.3-4.9175.763.7-169.2-20.600114.8I49 W54 I55 W74 S213 R215 T225I49-Q217 HydrophobicContact CD1-CB 3.66Å; I49-Q217 HydrophobicContact CG1-CB 4.01Å; W54-Q217 HydrophobicContact CE3-CG 4.33Å; W54-Q217 HydrophobicContact CH2-CG 3.6Å; W54-Q217 HydrophobicContact CZ2-CG 4.24Å; W54-Q217 HydrophobicContact CZ3-CG 3.69Å; I55-Q217 VanDerWaalsContact CB-OE1 3.29Å; I55-Q217 PolarHBondContact O-NE2 3.26Å; W74-Q217 HydrophobicContact CH2-CB 3.79Å; W74-Q217 HydrophobicContact CH2-CG 4.37Å; W74-Q217 HydrophobicContact CZ3-CB 4.21Å; S213-Q217 WeakPolarHBondContact O-CG 3.42Å; S213-Q217 PolarHBondContact O-N 3.35Å; R215-Q217 VanDerWaalsContact C-N 3.29Å; R215-Q217 PolarHBondContact O-N 3.2Å; Q217-T225 WeakPolarHBondContact O-CG2 3.26Å
218R93.9Very high94.6Very high161 Ų16154 Ų5461%0.60827%0.269SS*.THydrogen-bonded Turntrans-117.6-31.2178.5-69.4-175.8177.5158.512.1114W54 R215 P220W54-R218 HydrophobicContact CH2-CG 3.8Å; W54-R218 HydrophobicContact CZ3-CG 3.8Å; R215-R218 PolarHBondContact O-N 2.8Å; R218-P220 VanDerWaalsContact O-CD 3.29Å; R218-P220 WeakPolarHBondContact O-CD 3.14Å
219D93.7Very high94.7Very high45 Ų4551.9 Ų51.924%0.24126%0.259CS..  trans-61.9118.9-174.5-170.1-27.7000109.9R215 A221 S222 T225R215-D219 HydrophobicContact CG-CB 4.27Å; R215-D219 IonicContact NE-OD2 3.44Å; R215-D219 PolarHBondContact NE-OD2 3.31Å; R215-D219 IonicContact NH2-OD2 3.81Å; R215-D219 VanDerWaalsContact O-CB 3.22Å; R215-D219 WeakPolarHBondContact O-CB 3.29Å; R215-D219 PolarHBondContact O-N 3.11Å; D219-A221 PolarHBondContact O-N 3.31Å; D219-A221 VanDerWaalsContact O-N 3.13Å; D219-A221 WeakPolarHBondContact OD1-CB 3.48Å; D219-A221 PolarHBondContact OD1-N 3.47Å; D219-S222 WeakPolarHBondContact O-CB 3.38Å; D219-S222 PolarHBondContact O-N 3.38Å; D219-T225 WeakPolarHBondContact O-CG2 3.49Å; D219-T225 PolarHBondContact O-OG1 3.46Å
220P92.9Very high94.8Very high106 Ų10651.9 Ų51.969%0.68826%0.259SS*.THydrogen-bonded Turntrans-63.4-15.4178.5-22.634.2000113.9R218 N226R218-P220 VanDerWaalsContact O-CD 3.29Å; R218-P220 WeakPolarHBondContact O-CD 3.14Å; P220-N226 PolarHBondContact O-ND2 2.73Å
221A90.8Very high95.1Very high81 Ų8148.2 Ų48.267%0.66924%0.243SC*.THydrogen-bonded Turntrans-88.4-9.4173.200000113D219D219-A221 PolarHBondContact O-N 3.31Å; D219-A221 VanDerWaalsContact O-N 3.13Å; D219-A221 WeakPolarHBondContact OD1-CB 3.48Å; D219-A221 PolarHBondContact OD1-N 3.47Å
222S92.5Very high95.3Very high16 Ų1641.4 Ų41.411%0.11221%0.212CC..SBendtrans-65141.6179177.70000111.7I216 D219 F224 T225 N226I216-S222 WeakPolarHBondContact CG2-OG 3.47Å; I216-S222 WeakPolarHBondContact O-CB 3.3Å; I216-S222 PolarHBondContact O-OG 3.36Å; D219-S222 WeakPolarHBondContact O-CB 3.38Å; D219-S222 PolarHBondContact O-N 3.38Å; S222-F224 PolarHBondContact O-N 2.86Å; S222-F224 PolarHBondContact OG-N 3.45Å; S222-F224 VanDerWaalsContact OG-N 3.12Å; S222-T225 PolarHBondContact O-N 2.97Å; S222-T225 PolarHBondContact O-OG1 3.29Å; S222-N226 PolarHBondContact O-N 2.91Å; S222-N226 PolarHBondContact O-ND2 3.33Å
223L93.7Very high95.6Very high42 Ų4240.2 Ų40.222%0.2221%0.206CC..Hα-helixtrans-53.6-42.3167.9169.761.5000111.2T225 N226 K227 I229 T293 Y295L223-T225 VanDerWaalsContact C-N 3.33Å; L223-T225 PolarHBondContact O-N 2.85Å; L223-N226 CarbonylContact O-C 3.52Å; L223-N226 PolarHBondContact O-N 3.32Å; L223-N226 VanDerWaalsContact O-N 3.1Å; L223-K227 HydrophobicContact CD1-CB 4.18Å; L223-K227 HydrophobicContact CD1-CD 3.83Å; L223-K227 HydrophobicContact CD1-CG 4.11Å; L223-K227 PolarHBondContact O-N 3.04Å; L223-I229 HydrophobicContact CD1-CD1 4.21Å; L223-I229 HydrophobicContact CD2-CD1 4.21Å; L223-I229 HydrophobicContact CG-CD1 4.09Å; L223-T293 HydrophobicContact CD1-CG2 3.75Å; L223-Y295 HydrophobicContact CD1-CD2 4.07Å; L223-Y295 HydrophobicContact CD1-CG 4.08Å; L223-Y295 HydrophobicContact CD2-CD2 3.49Å; L223-Y295 VanDerWaalsContact CD2-CD2 3.49Å; L223-Y295 HydrophobicContact CD2-CE2 3.95Å; L223-Y295 HydrophobicContact CD2-CG 4.33Å; L223-Y295 HydrophobicContact CG-CD2 4.4Å
224F96Very high95.7Very high29 Ų2940.9 Ų40.913%0.12721%0.21CC..Hα-helixtrans-75.3-20.2-169.4-61.7-81.7000113.8F44 N46 I49 H50 W74 I216 S222F44-F224 HydrophobicContact CE2-CE1 4.23Å; F44-F224 AromaticContact CZ-CE1 3.78Å; F44-F224 HydrophobicContact CZ-CE1 3.78Å; F44-F224 HydrophobicContact CZ-CZ 4.25Å; N46-F224 HydrophobicContact CB-CD1 3.84Å; N46-F224 WeakPolarHBondContact ND2-CA 3.41Å; N46-F224 PolarHBondContact ND2-O 2.92Å; I49-F224 HydrophobicContact CD1-CB 3.98Å; H50-F224 PolarHBondContact CE1-O 2.88Å; H50-F224 PolarHBondContact NE2-O 3Å; W74-F224 HydrophobicContact CB-CE1 4.21Å; W74-F224 HydrophobicContact CE3-CB 4.31Å; W74-F224 AromaticContact CE3-CD1 3.83Å; W74-F224 HydrophobicContact CE3-CD1 3.83Å; W74-F224 HydrophobicContact CE3-CD2 4.22Å; W74-F224 HydrophobicContact CE3-CE1 4.09Å; W74-F224 HydrophobicContact CE3-CE2 4.44Å; W74-F224 AromaticContact CE3-CG 3.86Å; W74-F224 HydrophobicContact CE3-CG 3.86Å; W74-F224 HydrophobicContact CE3-CZ 4.37Å; W74-F224 HydrophobicContact CZ3-CB 4.15Å; W74-F224 HydrophobicContact CZ3-CD1 4.48Å; W74-F224 HydrophobicContact CZ3-CD2 4.3Å; W74-F224 HydrophobicContact CZ3-CG 4.07Å; I216-F224 HydrophobicContact CG2-CB 4.29Å; I216-F224 HydrophobicContact CG2-CD2 3.19Å; I216-F224 HydrophobicContact CG2-CE2 3.74Å; I216-F224 HydrophobicContact CG2-CG 4.05Å; S222-F224 PolarHBondContact O-N 2.86Å; S222-F224 PolarHBondContact OG-N 3.45Å; S222-F224 VanDerWaalsContact OG-N 3.12Å
225T96.1Very high95.9Very high32 Ų3241.4 Ų41.420%0.19622%0.222CC..Hα-helixtrans-86-22.6170.156.40000111.8Q217 D219 S222 L223Q217-T225 WeakPolarHBondContact O-CG2 3.26Å; D219-T225 WeakPolarHBondContact O-CG2 3.49Å; D219-T225 PolarHBondContact O-OG1 3.46Å; S222-T225 PolarHBondContact O-N 2.97Å; S222-T225 PolarHBondContact O-OG1 3.29Å; L223-T225 VanDerWaalsContact C-N 3.33Å; L223-T225 PolarHBondContact O-N 2.85Å
226N96.6Very high96Very high27 Ų2738.4 Ų38.414%0.14422%0.22CC..Hα-helixtrans-97.4-13.1-176.6-79.9-75000114.8P220 S222 L223 V289 N291 T293P220-N226 PolarHBondContact O-ND2 2.73Å; S222-N226 PolarHBondContact O-N 2.91Å; S222-N226 PolarHBondContact O-ND2 3.33Å; L223-N226 CarbonylContact O-C 3.52Å; L223-N226 PolarHBondContact O-N 3.32Å; L223-N226 VanDerWaalsContact O-N 3.1Å; N226-V289 WeakPolarHBondContact O-CG1 3Å; N226-N291 HydrophobicContact CB-CB 4.07Å; N226-N291 WeakPolarHBondContact O-CB 3.45Å; N226-N291 PolarHBondContact O-N 3.14Å; N226-N291 WeakPolarHBondContact OD1-CB 3.41Å; N226-N291 PolarHBondContact OD1-ND2 3.28Å; N226-T293 HydrophobicContact CB-CG2 3.61Å
227K97.3Very high96.3Very high4 Ų437.8 Ų37.82%0.01722%0.217CC..BIsolated β-bridgetrans-140.3129176-66.5-169.5179.7-58.20110.6N46 H50 L223 I229 I242 V289 C290 N291 T293 Y295N46-K227 PolarHBondContact ND2-O 2.96Å; H50-K227 PolarHBondContact NE2-O 3.02Å; H50-K227 VanDerWaalsContact NE2-O 3.11Å; L223-K227 HydrophobicContact CD1-CB 4.18Å; L223-K227 HydrophobicContact CD1-CD 3.83Å; L223-K227 HydrophobicContact CD1-CG 4.11Å; L223-K227 PolarHBondContact O-N 3.04Å; K227-I229 HydrophobicContact CB-CD1 4.02Å; K227-I229 HydrophobicContact CB-CG1 3.83Å; K227-I242 HydrophobicContact CB-CG2 4.37Å; K227-I242 HydrophobicContact CD-CG2 3.91Å; K227-I242 HydrophobicContact CG-CG2 4.44Å; K227-V289 CarbonylContact C-O 3.52Å; K227-V289 VanDerWaalsContact CA-O 3.3Å; K227-V289 WeakPolarHBondContact CA-O 3.42Å; K227-C290 PolarHBondContact NZ-SG 3.26Å; K227-C290 VanDerWaalsContact NZ-SG 3.4Å; K227-N291 PolarHBondContact NZ-O 2.82Å; K227-T293 HydrophobicContact CD-CG2 3.92Å; K227-T293 WeakPolarHBondContact CE-O 3.39Å; K227-T293 HydrophobicContact CG-CG2 3.75Å; K227-Y295 HydrophobicContact CD-CD1 4.41Å; K227-Y295 HydrophobicContact CD-CG 4.33Å
228S98.3Very high96.5Very high2 Ų237.2 Ų37.21%0.01421%0.214CC..  trans-81.2123.8161.161.40000108H50 I242 G243 P288 V289H50-S228 VanDerWaalsContact CD2-CA 3.49Å; H50-S228 WeakPolarHBondContact CD2-CA 3.44Å; H50-S228 VanDerWaalsContact CD2-CB 3.48Å; H50-S228 WeakPolarHBondContact CD2-CB 3.41Å; H50-S228 WeakPolarHBondContact NE2-CA 3.26Å; H50-S228 PolarHBondContact NE2-N 3.14Å; S228-I242 CarbonylContact O-C 3.47Å; S228-I242 VanDerWaalsContact O-CA 3.31Å; S228-I242 WeakPolarHBondContact O-CA 3.35Å; S228-G243 PolarHBondContact O-N 2.81Å; S228-G243 VanDerWaalsContact OG-CA 3.31Å; S228-G243 WeakPolarHBondContact OG-CA 3.36Å; S228-G243 PolarHBondContact OG-N 2.86Å; S228-P288 WeakPolarHBondContact OG-CA 3.46Å; S228-V289 PolarHBondContact N-O 3.23Å; S228-V289 PolarHBondContact OG-N 3Å; S228-V289 PolarHBondContact OG-O 3.49Å
229I98.6Very high96.7Very high0 Ų031.3 Ų31.30%019%0.193CC..EExtended strand (participates in β ladder)trans-130133-169.8-57.6168.5000107.8F44 E45 N46 L223 K227 L241 I242 Y295F44-I229 HydrophobicContact CD1-CG2 4Å; F44-I229 HydrophobicContact CE1-CG2 3.72Å; E45-I229 WeakPolarHBondContact CA-O 3.31Å; E45-I229 WeakPolarHBondContact CB-O 3.48Å; N46-I229 PolarHBondContact N-O 3.06Å; N46-I229 VanDerWaalsContact N-O 3.1Å; N46-I229 PolarHBondContact OD1-N 3.12Å; N46-I229 PolarHBondContact OD1-O 3.46Å; L223-I229 HydrophobicContact CD1-CD1 4.21Å; L223-I229 HydrophobicContact CD2-CD1 4.21Å; L223-I229 HydrophobicContact CG-CD1 4.09Å; K227-I229 HydrophobicContact CB-CD1 4.02Å; K227-I229 HydrophobicContact CB-CG1 3.83Å; I229-L241 WeakPolarHBondContact CA-O 3.26Å; I229-I242 HydrophobicContact CB-CD1 4.13Å; I229-I242 HydrophobicContact CG1-CD1 4.01Å; I229-I242 HydrophobicContact CG2-CD1 3.68Å; I229-Y295 HydrophobicContact CD1-CD1 4.35Å; I229-Y295 HydrophobicContact CD1-CD2 4.4Å; I229-Y295 HydrophobicContact CD1-CE1 4.13Å; I229-Y295 HydrophobicContact CD1-CE2 4.16Å; I229-Y295 HydrophobicContact CD1-CG 4.48Å; I229-Y295 HydrophobicContact CG1-CE1 4.41Å; I229-Y295 HydrophobicContact CG2-CE1 4.23Å
230C98.8Very high97Very high0 Ų029.2 Ų29.20%018%0.182CC..EExtended strand (participates in β ladder)trans-139.2126.5163.1-172.30000107.5F44 E45 L47 A240 L241 L274 F278F44-C230 CarbonylContact O-C 3.58Å; F44-C230 WeakPolarHBondContact O-CA 3.36Å; E45-C230 HydrophobicContact CB-CB 4.09Å; L47-C230 HydrophobicContact CD1-CB 4.2Å; L47-C230 HydrophobicContact CD2-CB 4.45Å; C230-A240 CarbonylContact O-C 3.52Å; C230-A240 VanDerWaalsContact O-CA 3.24Å; C230-A240 WeakPolarHBondContact O-CA 3.49Å; C230-L241 HydrophobicContact CB-CB 4.42Å; C230-L241 PolarHBondContact N-O 3.27Å; C230-L241 PolarHBondContact O-N 3.41Å; C230-L274 HydrophobicContact CB-CD2 4.35Å; C230-F278 VanDerWaalsContact SG-CD1 3.51Å
231S98.8Very high97.2Very high2 Ų224.3 Ų24.31%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-138.5143.8175.376.40000111.3P43 F44 V134 K239P43-S231 CarbonylContact C-O 3.59Å; P43-S231 VanDerWaalsContact CA-O 3.25Å; P43-S231 WeakPolarHBondContact CA-O 3.43Å; F44-S231 PolarHBondContact N-O 2.83Å; F44-S231 PolarHBondContact O-N 2.81Å; V134-S231 PolarHBondContact N-OG 3.44Å; S231-K239 CarbonylContact C-O 3.49Å; S231-K239 WeakPolarHBondContact CA-O 3.38Å
232L98.8Very high97.6Very high20 Ų2020.5 Ų20.511%0.10512%0.118CC..EExtended strand (participates in β ladder)trans-141.8130.3-178-177.464.6000109.3M40 P43 F238 K239 F278M40-L232 WeakPolarHBondContact O-CD1 3.17Å; P43-L232 HydrophobicContact CG-CD1 4.14Å; L232-F238 CarbonylContact O-C 3.57Å; L232-F238 VanDerWaalsContact O-CA 3.25Å; L232-F238 WeakPolarHBondContact O-CA 3.36Å; L232-F238 WeakPolarHBondContact O-CB 3.41Å; L232-K239 PolarHBondContact N-O 2.88Å; L232-K239 PolarHBondContact O-N 3.39Å; L232-F278 HydrophobicContact CB-CD1 3.78Å; L232-F278 HydrophobicContact CB-CE1 4.22Å
233Q98.8Very high97.8Very high7 Ų719.8 Ų19.83%0.03311%0.113CC..EExtended strand (participates in β ladder)trans-72.1148.5176.3-53.8-62.8-59.200110V39 M40 V134 Q137 W139V39-Q233 HydrophobicContact CB-CB 4.46Å; V39-Q233 HydrophobicContact CB-CG 3.91Å; V39-Q233 HydrophobicContact CG2-CB 4.27Å; V39-Q233 HydrophobicContact CG2-CG 4.01Å; V39-Q233 VanDerWaalsContact O-CB 3.25Å; V39-Q233 WeakPolarHBondContact O-CB 3.5Å; V39-Q233 WeakPolarHBondContact O-CG 3.19Å; V39-Q233 PolarHBondContact O-N 3.35Å; V39-Q233 VanDerWaalsContact O-N 3.13Å; M40-Q233 WeakPolarHBondContact CA-O 3.26Å; M40-Q233 HydrophobicContact CG-CB 4.2Å; V134-Q233 PolarHBondContact O-NE2 3.18Å; Q137-Q233 HydrophobicContact CB-CG 4.3Å; Q137-Q233 HydrophobicContact CG-CG 3.82Å; W139-Q233 HydrophobicContact CZ2-CB 4.46Å
234T98.4Very high98Very high17 Ų1719.4 Ų19.410%0.10411%0.114CC..EExtended strand (participates in β ladder)trans-121.8166.3175.170.90000109.1W139 T236 G237 K239W139-T234 WeakPolarHBondContact CH2-O 3.34Å; W139-T234 WeakPolarHBondContact CZ2-O 3.38Å; T234-T236 PolarHBondContact O-N 3.3Å; T234-G237 PolarHBondContact N-O 2.87Å; T234-G237 PolarHBondContact O-N 2.98Å; T234-G237 WeakPolarHBondContact OG1-CA 3.46Å; T234-G237 PolarHBondContact OG1-N 3.37Å; T234-G237 VanDerWaalsContact OG1-N 3.11Å; T234-G237 PolarHBondContact OG1-O 2.91Å; T234-K239 HydrophobicContact CG2-CD 4.17Å; T234-K239 HydrophobicContact CG2-CG 3.95Å
235P97.6Very high98.1Very high109 Ų10919.3 Ų19.371%0.70811%0.114SC*.THydrogen-bonded Turntrans-56.5-21.4177.7-28.537.2000114.9
236T97.3Very high98.3Very high81 Ų8118.7 Ų18.750%0.49711%0.109SC..THydrogen-bonded Turntrans-119.84.2-175.855.70000113.4T234 Y251T234-T236 PolarHBondContact O-N 3.3Å; T236-Y251 WeakPolarHBondContact O-CB 3.41Å; T236-Y251 PolarHBondContact O-N 2.93Å
237G98.5Very high98.4Very high0 Ų017.4 Ų17.40%010%0.102CC..EExtended strand (participates in β ladder)trans166.2-141.4-163.300000114.7T234 V249T234-G237 PolarHBondContact N-O 2.87Å; T234-G237 PolarHBondContact O-N 2.98Å; T234-G237 WeakPolarHBondContact OG1-CA 3.46Å; T234-G237 PolarHBondContact OG1-N 3.37Å; T234-G237 VanDerWaalsContact OG1-N 3.11Å; T234-G237 PolarHBondContact OG1-O 2.91Å; G237-V249 CarbonylContact C-O 3.55Å; G237-V249 WeakPolarHBondContact CA-O 3.3Å
238F98.8Very high98.4Very high1 Ų120.1 Ų20.10%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-155.6159.5170.466.3-84.6000111.5V134 L232 A240 V249 Y251 L297V134-F238 HydrophobicContact CB-CD2 4.25Å; V134-F238 HydrophobicContact CB-CE2 3.71Å; V134-F238 HydrophobicContact CB-CZ 4.04Å; V134-F238 HydrophobicContact CG1-CD2 4.42Å; V134-F238 HydrophobicContact CG1-CE2 3.99Å; L232-F238 CarbonylContact O-C 3.57Å; L232-F238 VanDerWaalsContact O-CA 3.25Å; L232-F238 WeakPolarHBondContact O-CA 3.36Å; L232-F238 WeakPolarHBondContact O-CB 3.41Å; F238-A240 HydrophobicContact CD2-CB 4.3Å; F238-A240 HydrophobicContact CE2-CB 4.23Å; F238-V249 HydrophobicContact CD1-CB 3.82Å; F238-V249 HydrophobicContact CD1-CG1 4.23Å; F238-V249 HydrophobicContact CD1-CG2 4.41Å; F238-V249 HydrophobicContact CD2-CB 4.49Å; F238-V249 HydrophobicContact CD2-CG2 4.39Å; F238-V249 HydrophobicContact CE1-CB 3.47Å; F238-V249 VanDerWaalsContact CE1-CB 3.47Å; F238-V249 HydrophobicContact CE1-CG1 3.62Å; F238-V249 HydrophobicContact CE1-CG2 3.77Å; F238-V249 HydrophobicContact CE2-CB 4.18Å; F238-V249 HydrophobicContact CE2-CG2 3.72Å; F238-V249 HydrophobicContact CG-CB 4.34Å; F238-V249 HydrophobicContact CZ-CB 3.67Å; F238-V249 HydrophobicContact CZ-CG1 4.08Å; F238-V249 HydrophobicContact CZ-CG2 3.38Å; F238-V249 PolarHBondContact N-O 3.37Å; F238-V249 PolarHBondContact O-N 3.47Å; F238-Y251 HydrophobicContact CD1-CE1 4.13Å; F238-Y251 AromaticContact CD1-CZ 3.79Å; F238-Y251 WeakPolarHBondContact CD1-OH 3.22Å; F238-Y251 HydrophobicContact CE1-CE1 4.09Å; F238-L297 HydrophobicContact CE2-CB 4.14Å; F238-L297 HydrophobicContact CE2-CD2 4.31Å; F238-L297 HydrophobicContact CZ-CB 3.96Å; F238-L297 VanDerWaalsContact CZ-OXT 3.28Å; F238-L297 WeakPolarHBondContact CZ-OXT 3.42Å
239K98.7Very high98.4Very high37 Ų3720.3 Ų20.316%0.16112%0.115CC..EExtended strand (participates in β ladder)trans-108148.1169.5-64.2172.5179.3-174.40109.1S231 L232 T234 S247 E248 Q277 F278S231-K239 CarbonylContact C-O 3.49Å; S231-K239 WeakPolarHBondContact CA-O 3.38Å; L232-K239 PolarHBondContact N-O 2.88Å; L232-K239 PolarHBondContact O-N 3.39Å; T234-K239 HydrophobicContact CG2-CD 4.17Å; T234-K239 HydrophobicContact CG2-CG 3.95Å; K239-S247 CarbonylContact C-O 3.44Å; K239-S247 WeakPolarHBondContact CA-O 3.46Å; K239-E248 VanDerWaalsContact CE-OE1 3.22Å; K239-E248 WeakPolarHBondContact CE-OE1 3.33Å; K239-E248 HydrophobicContact CG-CB 4.48Å; K239-E248 HydrophobicContact CG-CG 4.17Å; K239-Q277 HydrophobicContact CD-CB 4.28Å; K239-F278 HydrophobicContact CB-CE1 3.83Å; K239-F278 HydrophobicContact CB-CZ 3.93Å
240A98.8Very high98.4Very high0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-144.6142.3175.400000111.6V134 C230 F238 Y246 S247 L297V134-A240 HydrophobicContact CG1-CB 4.36Å; C230-A240 CarbonylContact O-C 3.52Å; C230-A240 VanDerWaalsContact O-CA 3.24Å; C230-A240 WeakPolarHBondContact O-CA 3.49Å; F238-A240 HydrophobicContact CD2-CB 4.3Å; F238-A240 HydrophobicContact CE2-CB 4.23Å; A240-Y246 CarbonylContact O-C 3.29Å; A240-S247 PolarHBondContact N-O 3.1Å; A240-S247 PolarHBondContact O-N 2.75Å; A240-L297 HydrophobicContact CB-CD2 3.54Å
241L98.7Very high98.4Very high4 Ų422.7 Ų22.72%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-123.9112.8170.2177.163000108.2I229 C230 G243 I245 I265 L270 V273 L274 F278I229-L241 WeakPolarHBondContact CA-O 3.26Å; C230-L241 HydrophobicContact CB-CB 4.42Å; C230-L241 PolarHBondContact N-O 3.27Å; C230-L241 PolarHBondContact O-N 3.41Å; L241-G243 WeakPolarHBondContact CD1-O 3.48Å; L241-I245 WeakPolarHBondContact CA-O 3.42Å; L241-I265 HydrophobicContact CD1-CD1 3.63Å; L241-I265 HydrophobicContact CD1-CG1 4.33Å; L241-L270 HydrophobicContact CD1-CD2 4.49Å; L241-L270 HydrophobicContact CD2-CD2 3.98Å; L241-V273 HydrophobicContact CD2-CG1 4.41Å; L241-L274 HydrophobicContact CD2-CD2 3.84Å; L241-L274 HydrophobicContact CD2-CG 4.13Å; L241-F278 HydrophobicContact CB-CE2 3.97Å; L241-F278 HydrophobicContact CB-CZ 3.99Å
242I98.3Very high98.3Very high0 Ų026.2 Ų26.20%014%0.144CC..EExtended strand (participates in β ladder)trans-119.1106.7-179.3-44.9-61.6000109.3L187 K227 S228 I229 C244 I245 Y295 L297L187-I242 HydrophobicContact CD1-CB 4.19Å; L187-I242 HydrophobicContact CD1-CG1 4.31Å; L187-I242 HydrophobicContact CD2-CG2 4.19Å; K227-I242 HydrophobicContact CB-CG2 4.37Å; K227-I242 HydrophobicContact CD-CG2 3.91Å; K227-I242 HydrophobicContact CG-CG2 4.44Å; S228-I242 CarbonylContact O-C 3.47Å; S228-I242 VanDerWaalsContact O-CA 3.31Å; S228-I242 WeakPolarHBondContact O-CA 3.35Å; I229-I242 HydrophobicContact CB-CD1 4.13Å; I229-I242 HydrophobicContact CG1-CD1 4.01Å; I229-I242 HydrophobicContact CG2-CD1 3.68Å; I242-C244 PolarHBondContact O-N 3.19Å; I242-I245 PolarHBondContact N-O 3.25Å; I242-I245 PolarHBondContact O-N 2.87Å; I242-Y295 HydrophobicContact CD1-CD1 4.12Å; I242-Y295 HydrophobicContact CD1-CE1 3.61Å; I242-Y295 HydrophobicContact CG1-CE1 4.43Å; I242-L297 HydrophobicContact CG1-CD2 4.14Å
243G97.7Very high98.1Very high1 Ų128.9 Ų28.91%0.0116%0.162CC..THydrogen-bonded Turntrans56.8-118.3-163.200000110.3S228 L241S228-G243 PolarHBondContact O-N 2.81Å; S228-G243 VanDerWaalsContact OG-CA 3.31Å; S228-G243 WeakPolarHBondContact OG-CA 3.36Å; S228-G243 PolarHBondContact OG-N 2.86Å; L241-G243 WeakPolarHBondContact CD1-O 3.48Å
244C97.8Very high97.9Very high35 Ų3537.3 Ų37.324%0.23620%0.202CC..THydrogen-bonded Turntrans-105.720175.5-58.10000113.4I242 N264 I265 P288I242-C244 PolarHBondContact O-N 3.19Å; C244-N264 CarbonylContact O-C 3.54Å; C244-N264 WeakPolarHBondContact O-CA 3.44Å; C244-I265 HydrophobicContact CB-CG1 4.29Å; C244-I265 WeakPolarHBondContact CB-O 3.47Å; C244-I265 PolarHBondContact O-N 3.42Å; C244-P288 WeakPolarHBondContact SG-CG 3.31Å
245I98.3Very high97.8Very high27 Ų2742 Ų4214%0.13822%0.222CC..EExtended strand (participates in β ladder)trans-101.8107.8175.9-57.6170.1000107.9F182 L187 L241 I242 M262F182-I245 HydrophobicContact CD1-CG2 4.41Å; F182-I245 HydrophobicContact CE1-CD1 4.32Å; F182-I245 HydrophobicContact CE1-CG1 4.31Å; F182-I245 HydrophobicContact CE1-CG2 3.68Å; F182-I245 HydrophobicContact CZ-CG2 4.28Å; L187-I245 HydrophobicContact CD1-CB 4.33Å; L187-I245 HydrophobicContact CD1-CD1 3.92Å; L187-I245 HydrophobicContact CD1-CG2 4.09Å; L241-I245 WeakPolarHBondContact CA-O 3.42Å; I242-I245 PolarHBondContact N-O 3.25Å; I242-I245 PolarHBondContact O-N 2.87Å; I245-M262 HydrophobicContact CG2-CE 3.97Å
246Y98.6Very high97.7Very high19 Ų1938.6 Ų38.68%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-84.7139.8169.7178.5-100.9000109.5A240 E248 M262 R263 V273 Q277 F278A240-Y246 CarbonylContact O-C 3.29Å; Y246-E248 HydrophobicContact CE1-CB 4.38Å; Y246-M262 WeakPolarHBondContact O-CA 3.33Å; Y246-R263 HydrophobicContact CD1-CG 4.28Å; Y246-R263 PolarHBondContact N-O 3.37Å; Y246-R263 PolarHBondContact O-N 3.35Å; Y246-V273 HydrophobicContact CD2-CG1 3.72Å; Y246-V273 HydrophobicContact CE2-CG1 4.12Å; Y246-V273 HydrophobicContact CG-CG1 4.48Å; Y246-Q277 HydrophobicContact CE2-CB 3.93Å; Y246-Q277 HydrophobicContact CE2-CG 3.85Å; Y246-Q277 PolarHBondContact OH-OE1 2.75Å; Y246-Q277 VanDerWaalsContact OH-OE1 3.11Å; Y246-F278 HydrophobicContact CD2-CE2 4.28Å; Y246-F278 HydrophobicContact CD2-CZ 4.46Å; Y246-F278 HydrophobicContact CE2-CE2 4.03Å; Y246-F278 HydrophobicContact CE2-CZ 4.15Å
247S98.6Very high97.7Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-142.8135.5178.5-57.10000110.9K239 A240 D261 M262K239-S247 CarbonylContact C-O 3.44Å; K239-S247 WeakPolarHBondContact CA-O 3.46Å; A240-S247 PolarHBondContact N-O 3.1Å; A240-S247 PolarHBondContact O-N 2.75Å; S247-D261 CarbonylContact C-O 3.57Å; S247-D261 WeakPolarHBondContact CA-O 3.39Å; S247-M262 WeakPolarHBondContact OG-CE 3.22Å
248E98.6Very high97.6Very high61 Ų6136.4 Ų36.429%0.28519%0.193SC..EExtended strand (participates in β ladder)trans-118.3122168.2-175.9159.9-156.100108.6K239 Y246 D261K239-E248 VanDerWaalsContact CE-OE1 3.22Å; K239-E248 WeakPolarHBondContact CE-OE1 3.33Å; K239-E248 HydrophobicContact CG-CB 4.48Å; K239-E248 HydrophobicContact CG-CG 4.17Å; Y246-E248 HydrophobicContact CE1-CB 4.38Å; E248-D261 PolarHBondContact N-O 2.92Å; E248-D261 PolarHBondContact O-N 3.28Å
249V98.6Very high97.6Very high5 Ų537.8 Ų37.83%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-109.1124.7-179.2-176.70000108.5G237 F238 Y251 D258 L259 L260G237-V249 CarbonylContact C-O 3.55Å; G237-V249 WeakPolarHBondContact CA-O 3.3Å; F238-V249 HydrophobicContact CD1-CB 3.82Å; F238-V249 HydrophobicContact CD1-CG1 4.23Å; F238-V249 HydrophobicContact CD1-CG2 4.41Å; F238-V249 HydrophobicContact CD2-CB 4.49Å; F238-V249 HydrophobicContact CD2-CG2 4.39Å; F238-V249 HydrophobicContact CE1-CB 3.47Å; F238-V249 VanDerWaalsContact CE1-CB 3.47Å; F238-V249 HydrophobicContact CE1-CG1 3.62Å; F238-V249 HydrophobicContact CE1-CG2 3.77Å; F238-V249 HydrophobicContact CE2-CB 4.18Å; F238-V249 HydrophobicContact CE2-CG2 3.72Å; F238-V249 HydrophobicContact CG-CB 4.34Å; F238-V249 HydrophobicContact CZ-CB 3.67Å; F238-V249 HydrophobicContact CZ-CG1 4.08Å; F238-V249 HydrophobicContact CZ-CG2 3.38Å; F238-V249 PolarHBondContact N-O 3.37Å; F238-V249 PolarHBondContact O-N 3.47Å; V249-Y251 HydrophobicContact CG1-CE1 4.29Å; V249-D258 HydrophobicContact CG1-CB 4.24Å; V249-L259 CarbonylContact C-O 3.57Å; V249-L259 VanDerWaalsContact CA-O 3.23Å; V249-L259 WeakPolarHBondContact CA-O 3.24Å; V249-L260 HydrophobicContact CG1-CG 4.36Å; V249-L260 HydrophobicContact CG2-CG 3.98Å
250T98.6Very high97.6Very high36 Ų3636.4 Ų36.422%0.22120%0.195CC..EExtended strand (participates in β ladder)trans-111.7124176.3-60.70000110.2K252 D258 L259T250-K252 HydrophobicContact CG2-CD 4.33Å; T250-K252 HydrophobicContact CG2-CG 4.47Å; T250-D258 WeakPolarHBondContact O-CA 3.41Å; T250-L259 PolarHBondContact N-O 3.07Å; T250-L259 PolarHBondContact O-N 2.8Å
251Y98.1Very high97.6Very high14 Ų1440.4 Ų40.46%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-75.7123.4174.6-57.9-37.2000110.5W139 A153 A154 T236 F238 V249 P253 D258W139-Y251 HydrophobicContact CH2-CD2 4.4Å; W139-Y251 HydrophobicContact CH2-CE2 4.39Å; W139-Y251 HydrophobicContact CZ2-CD2 4.21Å; W139-Y251 AromaticContact CZ2-CE2 3.76Å; W139-Y251 HydrophobicContact CZ2-CE2 3.76Å; A153-Y251 HydrophobicContact CB-CD2 4.04Å; A153-Y251 HydrophobicContact CB-CE2 4.49Å; A154-Y251 HydrophobicContact CB-CE1 4.25Å; A154-Y251 HydrophobicContact CB-CE2 3.81Å; A154-Y251 WeakPolarHBondContact CB-OH 3.45Å; T236-Y251 WeakPolarHBondContact O-CB 3.41Å; T236-Y251 PolarHBondContact O-N 2.93Å; F238-Y251 HydrophobicContact CD1-CE1 4.13Å; F238-Y251 AromaticContact CD1-CZ 3.79Å; F238-Y251 WeakPolarHBondContact CD1-OH 3.22Å; F238-Y251 HydrophobicContact CE1-CE1 4.09Å; V249-Y251 HydrophobicContact CG1-CE1 4.29Å; Y251-P253 WeakPolarHBondContact O-CD 3.45Å; Y251-D258 HydrophobicContact CD1-CB 4.45Å; Y251-D258 WeakPolarHBondContact CD1-OD1 3.44Å
252K97.1Very high97.6Very high76 Ų7640.2 Ų40.233%0.3322%0.215SC..EExtended strand (participates in β ladder)trans-120.673.7175.6-63.1-69.8-170168.90109.9T250 E254 E255 G256 V257 L259T250-K252 HydrophobicContact CG2-CD 4.33Å; T250-K252 HydrophobicContact CG2-CG 4.47Å; K252-E254 VanDerWaalsContact C-N 3.3Å; K252-E254 PolarHBondContact O-N 2.87Å; K252-E255 HydrophobicContact CB-CB 4.02Å; K252-E255 HydrophobicContact CB-CG 4.36Å; K252-E255 PolarHBondContact O-N 3.13Å; K252-E255 VanDerWaalsContact O-N 3.08Å; K252-G256 PolarHBondContact O-N 3.04Å; K252-G256 VanDerWaalsContact O-N 3.12Å; K252-V257 CarbonylContact C-O 3.59Å; K252-V257 WeakPolarHBondContact CA-O 3.48Å; K252-V257 HydrophobicContact CB-CG2 3.97Å; K252-V257 VanDerWaalsContact CB-O 3.31Å; K252-V257 WeakPolarHBondContact CB-O 3.22Å; K252-V257 PolarHBondContact N-O 3.01Å; K252-V257 PolarHBondContact O-N 3.35Å; K252-L259 HydrophobicContact CG-CD1 4.02Å; K252-L259 HydrophobicContact CG-CG 3.96Å
253P94.6Very high97.6Very high76 Ų7644.7 Ų44.749%0.49423%0.232SC..G310 helixtrans-58.2-40.5-175.422.7-33000112.9Y251 E255 G256Y251-P253 WeakPolarHBondContact O-CD 3.45Å; P253-E255 PolarHBondContact O-N 2.73Å; P253-G256 PolarHBondContact O-N 2.88Å
254E94.8Very high97.6Very high185 Ų18549.3 Ų49.386%0.86426%0.256SS*.G310 helixtrans-62.9-27.4178.4-54.9-53.9147.900113.5K252K252-E254 VanDerWaalsContact C-N 3.3Å; K252-E254 PolarHBondContact O-N 2.87Å
255E95.8Very high97.6Very high116 Ų11648.1 Ų48.154%0.54225%0.247SC..G310 helixtrans-95.4-4.7178-64.4176.3-12900112.2K252 P253 V257K252-E255 HydrophobicContact CB-CB 4.02Å; K252-E255 HydrophobicContact CB-CG 4.36Å; K252-E255 PolarHBondContact O-N 3.13Å; K252-E255 VanDerWaalsContact O-N 3.08Å; P253-E255 PolarHBondContact O-N 2.73Å; E255-V257 HydrophobicContact CB-CG2 3.82Å; E255-V257 PolarHBondContact O-N 3.44Å
256G95.2Very high97.5Very high37 Ų3750.5 Ų50.538%0.38126%0.263SS..THydrogen-bonded Turntrans64.420.9-175.500000114.3K174 K252 P253K174-G256 PolarHBondContact N-O 2.83Å; K252-G256 PolarHBondContact O-N 3.04Å; K252-G256 VanDerWaalsContact O-N 3.12Å; P253-G256 PolarHBondContact O-N 2.88Å
257V96.9Very high97.2Very high22 Ų2255.1 Ų55.113%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-128.5156.3-177.7-58.60000112.5K174 K252 E255 L259K174-V257 HydrophobicContact CB-CG1 4.44Å; K174-V257 CarbonylContact O-C 3.6Å; K174-V257 VanDerWaalsContact O-CA 3.23Å; K174-V257 WeakPolarHBondContact O-CA 3.29Å; K174-V257 WeakPolarHBondContact O-CB 3.39Å; K252-V257 CarbonylContact C-O 3.59Å; K252-V257 WeakPolarHBondContact CA-O 3.48Å; K252-V257 HydrophobicContact CB-CG2 3.97Å; K252-V257 VanDerWaalsContact CB-O 3.31Å; K252-V257 WeakPolarHBondContact CB-O 3.22Å; K252-V257 PolarHBondContact N-O 3.01Å; K252-V257 PolarHBondContact O-N 3.35Å; E255-V257 HydrophobicContact CB-CG2 3.82Å; E255-V257 PolarHBondContact O-N 3.44Å; V257-L259 HydrophobicContact CG2-CD2 3.98Å
258D97.8Very high97Very high13 Ų1362.5 Ų62.57%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-111.6124.7162-65.1-25.9000107.3R173 K174 P175 K176 V249 T250 Y251 L260R173-D258 IonicContact CZ-OD1 3.66Å; R173-D258 VanDerWaalsContact CZ-OD1 3.27Å; R173-D258 IonicContact NE-OD1 2.66Å; R173-D258 PolarHBondContact NE-OD1 2.74Å; R173-D258 IonicContact NH2-OD1 3.87Å; R173-D258 PolarHBondContact NH2-OD1 3.46Å; R173-D258 IonicContact NH2-OD2 3.73Å; K174-D258 PolarHBondContact O-N 3.07Å; P175-D258 CarbonylContact C-O 3.53Å; P175-D258 WeakPolarHBondContact CA-O 3.33Å; K176-D258 PolarHBondContact N-O 3.13Å; V249-D258 HydrophobicContact CG1-CB 4.24Å; T250-D258 WeakPolarHBondContact O-CA 3.41Å; Y251-D258 HydrophobicContact CD1-CB 4.45Å; Y251-D258 WeakPolarHBondContact CD1-OD1 3.44Å; D258-L260 VanDerWaalsContact O-CD1 3.24Å; D258-L260 WeakPolarHBondContact O-CD1 3.4Å
259L98.3Very high96.9Very high30 Ų3062.4 Ų62.416%0.15733%0.325CS..EExtended strand (participates in β ladder)trans-85130.4178.1-56.3-178.1000109.1K176 L178 V249 T250 K252 V257K176-L259 HydrophobicContact CB-CD2 3.92Å; K176-L259 HydrophobicContact CD-CD2 3.65Å; K176-L259 HydrophobicContact CG-CD2 4.01Å; K176-L259 WeakPolarHBondContact O-CA 3.45Å; L178-L259 HydrophobicContact CD2-CD2 4.39Å; V249-L259 CarbonylContact C-O 3.57Å; V249-L259 VanDerWaalsContact CA-O 3.23Å; V249-L259 WeakPolarHBondContact CA-O 3.24Å; T250-L259 PolarHBondContact N-O 3.07Å; T250-L259 PolarHBondContact O-N 2.8Å; K252-L259 HydrophobicContact CG-CD1 4.02Å; K252-L259 HydrophobicContact CG-CG 3.96Å; V257-L259 HydrophobicContact CG2-CD2 3.98Å
260L98.6Very high96.8Very high8 Ų862.4 Ų62.44%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-115.2106.5176.7-67.378.2000108.7P175 K176 V177 L178 V188 V249 D258 M262 L297P175-L260 HydrophobicContact CB-CD1 3.66Å; K176-L260 PolarHBondContact O-N 3.22Å; V177-L260 HydrophobicContact CG2-CB 4.5Å; L178-L260 PolarHBondContact N-O 3.3Å; V188-L260 HydrophobicContact CB-CD2 4.36Å; V188-L260 HydrophobicContact CG1-CD2 4.03Å; V188-L260 HydrophobicContact CG2-CD2 3.79Å; V249-L260 HydrophobicContact CG1-CG 4.36Å; V249-L260 HydrophobicContact CG2-CG 3.98Å; D258-L260 VanDerWaalsContact O-CD1 3.24Å; D258-L260 WeakPolarHBondContact O-CD1 3.4Å; L260-M262 HydrophobicContact CB-CG 4.23Å; L260-M262 HydrophobicContact CB-SD 4.4Å; L260-M262 HydrophobicContact CD2-SD 4.37Å; L260-L297 HydrophobicContact CD2-CD1 4.45Å
261D98.4Very high96.6Very high83 Ų8365.4 Ų65.444%0.44434%0.339SS..EExtended strand (participates in β ladder)trans-88.6122.8165.5-165.7-7.3000108.5L178 S247 E248L178-D261 HydrophobicContact CD1-CB 4.17Å; S247-D261 CarbonylContact C-O 3.57Å; S247-D261 WeakPolarHBondContact CA-O 3.39Å; E248-D261 PolarHBondContact N-O 2.92Å; E248-D261 PolarHBondContact O-N 3.28Å
262M98.4Very high96.6Very high0 Ų070 Ų700%036%0.361CS..EExtended strand (participates in β ladder)trans-137.3134.8-172-58.7-17672.800110V177 N179 F182 L187 V188 I245 Y246 S247 L260 L297V177-M262 HydrophobicContact CG1-SD 4.38Å; N179-M262 WeakPolarHBondContact CB-O 3.42Å; N179-M262 PolarHBondContact ND2-O 3.07Å; F182-M262 HydrophobicContact CB-CB 4.02Å; F182-M262 HydrophobicContact CB-CE 4.39Å; F182-M262 HydrophobicContact CB-CG 4.45Å; F182-M262 HydrophobicContact CB-SD 3.76Å; F182-M262 HydrophobicContact CD1-CB 3.99Å; F182-M262 HydrophobicContact CD1-CE 3.71Å; F182-M262 HydrophobicContact CD1-SD 4.18Å; F182-M262 HydrophobicContact CD2-CB 3.71Å; F182-M262 WeakPolarHBondContact CD2-O 3.43Å; F182-M262 HydrophobicContact CE1-CB 4.39Å; F182-M262 HydrophobicContact CE1-CE 4.35Å; F182-M262 HydrophobicContact CE2-CB 4.14Å; F182-M262 WeakPolarHBondContact CE2-O 3.36Å; F182-M262 HydrophobicContact CG-CB 3.62Å; F182-M262 HydrophobicContact CG-CE 4.25Å; F182-M262 HydrophobicContact CG-CG 4.45Å; F182-M262 HydrophobicContact CG-SD 4.11Å; F182-M262 HydrophobicContact CZ-CB 4.45Å; L187-M262 HydrophobicContact CB-CE 4.26Å; L187-M262 HydrophobicContact CD1-CE 4.18Å; V188-M262 HydrophobicContact CG2-SD 3.93Å; I245-M262 HydrophobicContact CG2-CE 3.97Å; Y246-M262 WeakPolarHBondContact O-CA 3.33Å; S247-M262 WeakPolarHBondContact OG-CE 3.22Å; L260-M262 HydrophobicContact CB-CG 4.23Å; L260-M262 HydrophobicContact CB-SD 4.4Å; L260-M262 HydrophobicContact CD2-SD 4.37Å; M262-L297 HydrophobicContact CE-CD1 3.99Å
263R98.1Very high96.7Very high95 Ų9566.7 Ų66.736%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-146.5151.2175.667.4-179.2-174.9100.5-0.9111.6Y246 I265 E269Y246-R263 HydrophobicContact CD1-CG 4.28Å; Y246-R263 PolarHBondContact N-O 3.37Å; Y246-R263 PolarHBondContact O-N 3.35Å; R263-I265 HydrophobicContact CG-CG2 4.28Å; R263-I265 VanDerWaalsContact NH1-CG2 3.28Å; R263-E269 IonicContact NH1-OE1 3.72Å; R263-E269 PolarHBondContact NH1-OE1 3.06Å
264N97.9Very high96.8Very high97 Ų9763.1 Ų63.152%0.51932%0.324SS..EExtended strand (participates in β ladder)trans-75.4145.6163.4-64.2-57.6000108.9C244C244-N264 CarbonylContact O-C 3.54Å; C244-N264 WeakPolarHBondContact O-CA 3.44Å
265I97.6Very high97Very high11 Ų1157.7 Ų57.76%0.05630%0.304CS..  trans-120.9156.6169.872.5175.1000108.8L241 C244 R263 E269 L270 V273L241-I265 HydrophobicContact CD1-CD1 3.63Å; L241-I265 HydrophobicContact CD1-CG1 4.33Å; C244-I265 HydrophobicContact CB-CG1 4.29Å; C244-I265 WeakPolarHBondContact CB-O 3.47Å; C244-I265 PolarHBondContact O-N 3.42Å; R263-I265 HydrophobicContact CG-CG2 4.28Å; R263-I265 VanDerWaalsContact NH1-CG2 3.28Å; I265-E269 WeakPolarHBondContact CA-OE2 3.45Å; I265-E269 HydrophobicContact CB-CB 4.15Å; I265-L270 HydrophobicContact CD1-CD2 3.8Å; I265-L270 HydrophobicContact CD1-CG 4.44Å; I265-L270 HydrophobicContact CG1-CD2 4.37Å; I265-V273 HydrophobicContact CD1-CB 4.06Å; I265-V273 HydrophobicContact CD1-CG1 4.16Å; I265-V273 HydrophobicContact CD1-CG2 3.89Å
266T96.3Very high97.1Very high77 Ų7757.8 Ų57.847%0.47230%0.304SS..  trans-81.7164.217465.90000111D268 E269T266-D268 PolarHBondContact O-N 2.89Å; T266-E269 PolarHBondContact N-OE2 3.35Å; T266-E269 PolarHBondContact O-N 3.48Å; T266-E269 WeakPolarHBondContact OG1-CG 3.35Å; T266-E269 PolarHBondContact OG1-N 2.98Å; T266-E269 PolarHBondContact OG1-OE2 3.47Å; T266-E269 VanDerWaalsContact OG1-OE2 3.11Å
267E93.2Very high97.2Very high116 Ų11658.4 Ų58.454%0.54230%0.297SS..G310 helixtrans-61.2-31.5173.1-70.5-171.8-16500112.2E269 L270 P288E267-E269 VanDerWaalsContact C-N 3.28Å; E267-E269 PolarHBondContact O-N 3.31Å; E267-L270 HydrophobicContact CB-CD1 4.24Å; E267-L270 HydrophobicContact CG-CD1 4.34Å; E267-L270 WeakPolarHBondContact O-CB 3.39Å; E267-L270 PolarHBondContact O-N 3Å; E267-P288 HydrophobicContact CG-CG 4.23Å
268D93.8Very high97.3Very high155 Ų15557.4 Ų57.483%0.82929%0.291SS*.G310 helixtrans-71.4-23.7179.1-62-25.6000112.3T266T266-D268 PolarHBondContact O-N 2.89Å
269E96.2Very high97.3Very high59 Ų5961.4 Ų61.428%0.27631%0.312SS..G310 helixtrans-82.2-13.2175.3-73.5173.294.200113.3R263 I265 T266 E267 D271 Q272 V273R263-E269 IonicContact NH1-OE1 3.72Å; R263-E269 PolarHBondContact NH1-OE1 3.06Å; I265-E269 WeakPolarHBondContact CA-OE2 3.45Å; I265-E269 HydrophobicContact CB-CB 4.15Å; T266-E269 PolarHBondContact N-OE2 3.35Å; T266-E269 PolarHBondContact O-N 3.48Å; T266-E269 WeakPolarHBondContact OG1-CG 3.35Å; T266-E269 PolarHBondContact OG1-N 2.98Å; T266-E269 PolarHBondContact OG1-OE2 3.47Å; T266-E269 VanDerWaalsContact OG1-OE2 3.11Å; E267-E269 VanDerWaalsContact C-N 3.28Å; E267-E269 PolarHBondContact O-N 3.31Å; E269-D271 PolarHBondContact O-N 3.11Å; E269-Q272 PolarHBondContact O-N 3.46Å; E269-V273 HydrophobicContact CB-CG2 4.48Å; E269-V273 WeakPolarHBondContact O-CB 3.13Å; E269-V273 WeakPolarHBondContact O-CG2 3.1Å; E269-V273 PolarHBondContact O-N 3.3Å
270L96.6Very high97.2Very high5 Ų560 Ų603%0.02631%0.305CS..Hα-helixtrans-59-50.8-169.7-77.3168.1000113L241 I265 E267 Q272 V273 L274 L286 P288L241-L270 HydrophobicContact CD1-CD2 4.49Å; L241-L270 HydrophobicContact CD2-CD2 3.98Å; I265-L270 HydrophobicContact CD1-CD2 3.8Å; I265-L270 HydrophobicContact CD1-CG 4.44Å; I265-L270 HydrophobicContact CG1-CD2 4.37Å; E267-L270 HydrophobicContact CB-CD1 4.24Å; E267-L270 HydrophobicContact CG-CD1 4.34Å; E267-L270 WeakPolarHBondContact O-CB 3.39Å; E267-L270 PolarHBondContact O-N 3Å; L270-Q272 VanDerWaalsContact C-N 3.31Å; L270-Q272 PolarHBondContact O-N 2.98Å; L270-V273 PolarHBondContact O-N 3.26Å; L270-L274 WeakPolarHBondContact O-CB 3.42Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.42Å; L270-L274 PolarHBondContact O-N 2.88Å; L270-L286 HydrophobicContact CD1-CD2 4.4Å; L270-L286 HydrophobicContact CD2-CD2 4.36Å; L270-P288 HydrophobicContact CD1-CB 4.24Å; L270-P288 HydrophobicContact CD1-CG 3.87Å
271D96Very high97.1Very high98 Ų9866.8 Ų66.852%0.52433%0.334SS..Hα-helixtrans-65.8-37.5-175.9-72.3-17.8000111.6E269 T275E269-D271 PolarHBondContact O-N 3.11Å; D271-T275 WeakPolarHBondContact O-CB 3.43Å; D271-T275 PolarHBondContact O-N 3.19Å; D271-T275 PolarHBondContact O-OG1 3.38Å
272Q97.4Very high97Very high111 Ų11163.9 Ų63.952%0.51932%0.318SS..Hα-helixtrans-64.8-49.1174.9-175.7-179.7-5.300110.6E269 L270 L274 T275 E276E269-Q272 PolarHBondContact O-N 3.46Å; L270-Q272 VanDerWaalsContact C-N 3.31Å; L270-Q272 PolarHBondContact O-N 2.98Å; Q272-L274 PolarHBondContact O-N 3.4Å; Q272-T275 PolarHBondContact O-N 3.11Å; Q272-E276 HydrophobicContact CG-CG 4.19Å; Q272-E276 VanDerWaalsContact CG-OE1 3.24Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.4Å; Q272-E276 PolarHBondContact NE2-OE1 3.34Å; Q272-E276 WeakPolarHBondContact O-CB 3.46Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3.34Å
273V98.3Very high96.7Very high6 Ų671.2 Ų71.24%0.03635%0.353CS..Hα-helixtrans-61.4-43.8178.71690000111.3L241 Y246 I265 E269 L270 T275 Q277 F278L241-V273 HydrophobicContact CD2-CG1 4.41Å; Y246-V273 HydrophobicContact CD2-CG1 3.72Å; Y246-V273 HydrophobicContact CE2-CG1 4.12Å; Y246-V273 HydrophobicContact CG-CG1 4.48Å; I265-V273 HydrophobicContact CD1-CB 4.06Å; I265-V273 HydrophobicContact CD1-CG1 4.16Å; I265-V273 HydrophobicContact CD1-CG2 3.89Å; E269-V273 HydrophobicContact CB-CG2 4.48Å; E269-V273 WeakPolarHBondContact O-CB 3.13Å; E269-V273 WeakPolarHBondContact O-CG2 3.1Å; E269-V273 PolarHBondContact O-N 3.3Å; L270-V273 PolarHBondContact O-N 3.26Å; V273-T275 VanDerWaalsContact C-N 3.34Å; V273-T275 PolarHBondContact O-N 3.11Å; V273-Q277 HydrophobicContact CG1-CB 4.42Å; V273-Q277 HydrophobicContact CG1-CG 4.12Å; V273-Q277 WeakPolarHBondContact O-CA 3.5Å; V273-Q277 WeakPolarHBondContact O-CB 3.35Å; V273-Q277 WeakPolarHBondContact O-CG 3.49Å; V273-Q277 PolarHBondContact O-N 3.2Å; V273-F278 HydrophobicContact CG1-CE2 4.16Å
274L98.4Very high96.5Very high1 Ų170.7 Ų70.71%0.00536%0.357CS..Hα-helixtrans-60.5-43.4176.9-74.8172.7000112.1L47 C230 L241 L270 Q272 F278 N279 V280 L282 L286L47-L274 HydrophobicContact CD1-CD1 4.18Å; L47-L274 HydrophobicContact CD1-CD2 3.65Å; C230-L274 HydrophobicContact CB-CD2 4.35Å; L241-L274 HydrophobicContact CD2-CD2 3.84Å; L241-L274 HydrophobicContact CD2-CG 4.13Å; L270-L274 WeakPolarHBondContact O-CB 3.42Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.42Å; L270-L274 PolarHBondContact O-N 2.88Å; Q272-L274 PolarHBondContact O-N 3.4Å; L274-F278 HydrophobicContact CD2-CD2 4.32Å; L274-F278 CarbonylContact O-C 3.59Å; L274-F278 WeakPolarHBondContact O-CA 3.31Å; L274-F278 WeakPolarHBondContact O-CB 3.48Å; L274-F278 PolarHBondContact O-N 2.77Å; L274-F278 VanDerWaalsContact O-N 3.14Å; L274-N279 PolarHBondContact O-N 2.73Å; L274-N279 VanDerWaalsContact O-N 3.14Å; L274-V280 CarbonylContact C-O 3.54Å; L274-V280 VanDerWaalsContact C-O 3.29Å; L274-V280 HydrophobicContact CB-CB 4.29Å; L274-V280 HydrophobicContact CB-CG1 4.42Å; L274-V280 WeakPolarHBondContact CB-O 3.49Å; L274-V280 HydrophobicContact CD2-CB 4.47Å; L274-V280 HydrophobicContact CD2-CG1 4.37Å; L274-V280 PolarHBondContact O-N 2.62Å; L274-L282 HydrophobicContact CD1-CD1 3.5Å; L274-L282 HydrophobicContact CD1-CG 4.09Å; L274-L286 HydrophobicContact CD1-CD2 4.04Å
275T97.6Very high96.4Very high72 Ų7273.9 Ų73.944%0.44237%0.366SS..Hα-helixtrans-68.7-53.5180-56.80000111.1D271 Q272 V273 N279 V280D271-T275 WeakPolarHBondContact O-CB 3.43Å; D271-T275 PolarHBondContact O-N 3.19Å; D271-T275 PolarHBondContact O-OG1 3.38Å; Q272-T275 PolarHBondContact O-N 3.11Å; V273-T275 VanDerWaalsContact C-N 3.34Å; V273-T275 PolarHBondContact O-N 3.11Å; T275-N279 VanDerWaalsContact O-CA 3.23Å; T275-N279 WeakPolarHBondContact O-CA 3.49Å; T275-N279 PolarHBondContact O-N 2.71Å; T275-N279 VanDerWaalsContact O-N 3.08Å; T275-V280 PolarHBondContact N-O 2.81Å
276E97.9Very high96.3Very high118 Ų11873.6 Ų73.655%0.55137%0.365SS*.Hα-helixtrans-73.7-36-172.9-68178.7-179.400113.1Q272Q272-E276 HydrophobicContact CG-CG 4.19Å; Q272-E276 VanDerWaalsContact CG-OE1 3.24Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.4Å; Q272-E276 PolarHBondContact NE2-OE1 3.34Å; Q272-E276 WeakPolarHBondContact O-CB 3.46Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3.34Å
277Q98.1Very high96.4Very high49 Ų4977.4 Ų77.423%0.22938%0.375CS..Hα-helixtrans-98.9-24.2-170.9-53-57.2-39.300113.4K239 Y246 V273K239-Q277 HydrophobicContact CD-CB 4.28Å; Y246-Q277 HydrophobicContact CE2-CB 3.93Å; Y246-Q277 HydrophobicContact CE2-CG 3.85Å; Y246-Q277 PolarHBondContact OH-OE1 2.75Å; Y246-Q277 VanDerWaalsContact OH-OE1 3.11Å; V273-Q277 HydrophobicContact CG1-CB 4.42Å; V273-Q277 HydrophobicContact CG1-CG 4.12Å; V273-Q277 WeakPolarHBondContact O-CA 3.5Å; V273-Q277 WeakPolarHBondContact O-CB 3.35Å; V273-Q277 WeakPolarHBondContact O-CG 3.49Å; V273-Q277 PolarHBondContact O-N 3.2Å
278F98.3Very high96.5Very high1 Ų173.3 Ų73.30%0.00436%0.358CS..Hα-helixtrans-126.7-4.5-175.3-56.4-88000113.8P43 C230 L232 K239 L241 Y246 V273 L274 V280P43-F278 HydrophobicContact CG-CB 4.32Å; C230-F278 VanDerWaalsContact SG-CD1 3.51Å; L232-F278 HydrophobicContact CB-CD1 3.78Å; L232-F278 HydrophobicContact CB-CE1 4.22Å; K239-F278 HydrophobicContact CB-CE1 3.83Å; K239-F278 HydrophobicContact CB-CZ 3.93Å; L241-F278 HydrophobicContact CB-CE2 3.97Å; L241-F278 HydrophobicContact CB-CZ 3.99Å; Y246-F278 HydrophobicContact CD2-CE2 4.28Å; Y246-F278 HydrophobicContact CD2-CZ 4.46Å; Y246-F278 HydrophobicContact CE2-CE2 4.03Å; Y246-F278 HydrophobicContact CE2-CZ 4.15Å; V273-F278 HydrophobicContact CG1-CE2 4.16Å; L274-F278 HydrophobicContact CD2-CD2 4.32Å; L274-F278 CarbonylContact O-C 3.59Å; L274-F278 WeakPolarHBondContact O-CA 3.31Å; L274-F278 WeakPolarHBondContact O-CB 3.48Å; L274-F278 PolarHBondContact O-N 2.77Å; L274-F278 VanDerWaalsContact O-N 3.14Å; F278-V280 HydrophobicContact CB-CB 4.31Å; F278-V280 HydrophobicContact CB-CG2 3.96Å; F278-V280 PolarHBondContact O-N 3.1Å
279N97.3Very high96.6Very high98 Ų9867.5 Ų67.552%0.52433%0.328SS..  trans54.534.5-171.6-166.739.2000112.9L274 T275L274-N279 PolarHBondContact O-N 2.73Å; L274-N279 VanDerWaalsContact O-N 3.14Å; T275-N279 VanDerWaalsContact O-CA 3.23Å; T275-N279 WeakPolarHBondContact O-CA 3.49Å; T275-N279 PolarHBondContact O-N 2.71Å; T275-N279 VanDerWaalsContact O-N 3.08Å
280V97.8Very high96.5Very high1 Ų167.3 Ų67.31%0.00633%0.333CS..  trans-107.1123.5-178.2168.20000109.6P43 L47 L274 T275 F278 L282P43-V280 HydrophobicContact CG-CG2 3.88Å; L47-V280 HydrophobicContact CD1-CG1 4.07Å; L274-V280 CarbonylContact C-O 3.54Å; L274-V280 VanDerWaalsContact C-O 3.29Å; L274-V280 HydrophobicContact CB-CB 4.29Å; L274-V280 HydrophobicContact CB-CG1 4.42Å; L274-V280 WeakPolarHBondContact CB-O 3.49Å; L274-V280 HydrophobicContact CD2-CB 4.47Å; L274-V280 HydrophobicContact CD2-CG1 4.37Å; L274-V280 PolarHBondContact O-N 2.62Å; T275-V280 PolarHBondContact N-O 2.81Å; F278-V280 HydrophobicContact CB-CB 4.31Å; F278-V280 HydrophobicContact CB-CG2 3.96Å; F278-V280 PolarHBondContact O-N 3.1Å; V280-L282 HydrophobicContact CG1-CD2 3.92Å; V280-L282 HydrophobicContact CG1-CG 4.29Å
281K96.3Very high96.3Very high149 Ų14970.9 Ų70.965%0.64835%0.352SS*.  trans-113.9125.5169.4-174.3173.3178.9177.70110R71R71-K281 WeakPolarHBondContact CD-O 3.36Å
282L95.7Very high95.8Very high23 Ų2376.9 Ų76.912%0.1237%0.373CS..  trans-93.9147.4178.6-58.8176.6000110.4L47 L274 V280 L286L47-L282 HydrophobicContact CB-CD2 4.13Å; L47-L282 HydrophobicContact CD1-CD1 4.47Å; L47-L282 HydrophobicContact CD1-CD2 4.17Å; L274-L282 HydrophobicContact CD1-CD1 3.5Å; L274-L282 HydrophobicContact CD1-CG 4.09Å; V280-L282 HydrophobicContact CG1-CD2 3.92Å; V280-L282 HydrophobicContact CG1-CG 4.29Å; L282-L286 HydrophobicContact CD1-CB 3.72Å; L282-L286 HydrophobicContact CD1-CD1 4.45Å; L282-L286 HydrophobicContact CD1-CD2 4.22Å; L282-L286 HydrophobicContact CD1-CG 4.35Å
283Q91.8Very high95.3Very high154 Ų15472.9 Ų72.972%0.7236%0.356SS*.SBendtrans-88.9-32.7174.8-61.4-61.2-26.200111.5
284N94.5Very high94.8Very high83 Ų8375.9 Ų75.944%0.44437%0.369SS..SBendtrans-113.7150.4-178.9-62.3-58.6000110.2C51 E53 L286C51-N284 HydrophobicContact CB-CB 4.04Å; C51-N284 PolarHBondContact SG-O 3.35Å; C51-N284 VanDerWaalsContact SG-O 3.34Å; E53-N284 PolarHBondContact OE1-ND2 3.44Å; N284-L286 PolarHBondContact O-N 3.42Å
285K94.5Very high94.5Very high164 Ų16476.8 Ų76.871%0.71337%0.373SS*.  trans-59.3124.1178.5-177.7171.4-178.9173.80110.8
286L97.2Very high94.3Very high6 Ų673.9 Ų73.93%0.03136%0.355CS..  trans-69.9134.2173.8-178.861.3000110.8L47 H50 L270 L274 L282 N284 P288L47-L286 HydrophobicContact CB-CD1 4.32Å; L47-L286 HydrophobicContact CD2-CD1 3.99Å; L47-L286 HydrophobicContact CD2-CD2 4.12Å; H50-L286 HydrophobicContact CB-CD1 3.48Å; H50-L286 VanDerWaalsContact CB-CD1 3.48Å; L270-L286 HydrophobicContact CD1-CD2 4.4Å; L270-L286 HydrophobicContact CD2-CD2 4.36Å; L274-L286 HydrophobicContact CD1-CD2 4.04Å; L282-L286 HydrophobicContact CD1-CB 3.72Å; L282-L286 HydrophobicContact CD1-CD1 4.45Å; L282-L286 HydrophobicContact CD1-CD2 4.22Å; L282-L286 HydrophobicContact CD1-CG 4.35Å; N284-L286 PolarHBondContact O-N 3.42Å; L286-P288 WeakPolarHBondContact O-CD 3.47Å
287K96.9Very high94.1Very high157 Ų15768.6 Ų68.668%0.68333%0.33SS*.  trans-103.598.3165-65.4179.8-177.6176.20108.7H50 V289H50-K287 WeakPolarHBondContact CB-O 3.36Å; H50-K287 PolarHBondContact O-N 2.8Å; K287-V289 PolarHBondContact O-N 3.25Å
288P96.6Very high93.9Very high29 Ų2969.6 Ų69.619%0.18834%0.335CS..  trans-65.1136.4-177.229.7-37.5000110.6S228 C244 E267 L270 L286S228-P288 WeakPolarHBondContact OG-CA 3.46Å; C244-P288 WeakPolarHBondContact SG-CG 3.31Å; E267-P288 HydrophobicContact CG-CG 4.23Å; L270-P288 HydrophobicContact CD1-CB 4.24Å; L270-P288 HydrophobicContact CD1-CG 3.87Å; L286-P288 WeakPolarHBondContact O-CD 3.47Å
289V96.3Very high93.6Very high33 Ų3373.2 Ų73.220%0.235%0.353CS..  trans-128.7134.2178-174.30000109.1H50 N226 K227 S228 K287H50-V289 WeakPolarHBondContact ND1-CG2 3.36Å; N226-V289 WeakPolarHBondContact O-CG1 3Å; K227-V289 CarbonylContact C-O 3.52Å; K227-V289 VanDerWaalsContact CA-O 3.3Å; K227-V289 WeakPolarHBondContact CA-O 3.42Å; S228-V289 PolarHBondContact N-O 3.23Å; S228-V289 PolarHBondContact OG-N 3Å; S228-V289 PolarHBondContact OG-O 3.49Å; K287-V289 PolarHBondContact O-N 3.25Å
290C93.9Very high93.4Very high55 Ų5571.8 Ų71.837%0.37234%0.343SS..BIsolated β-bridgetrans-144.160.8173-163.50000111.1K227K227-C290 PolarHBondContact NZ-SG 3.26Å; K227-C290 VanDerWaalsContact NZ-SG 3.4Å
291N92.3Very high93.2Very high81 Ų8176 Ų7643%0.43336%0.363SS..  trans-66.8163.5177.3-66.1-18.3000111.2N226 K227 T293N226-N291 HydrophobicContact CB-CB 4.07Å; N226-N291 WeakPolarHBondContact O-CB 3.45Å; N226-N291 PolarHBondContact O-N 3.14Å; N226-N291 WeakPolarHBondContact OD1-CB 3.41Å; N226-N291 PolarHBondContact OD1-ND2 3.28Å; K227-N291 PolarHBondContact NZ-O 2.82Å; N291-T293 VanDerWaalsContact C-N 3.26Å; N291-T293 PolarHBondContact O-N 3.43Å
292K84.9Confident93Very high223 Ų22371.4 Ų71.497%0.9735%0.345SS*.SBendtrans-70.980.2175.7-67.7-175.8-177.9177.50110.8
293T87.4Confident92.8Very high27 Ų2774.7 Ų74.717%0.16636%0.36CS..  trans-128.7153.8166.1-171.10000109.5L223 N226 K227 N291 Y295L223-T293 HydrophobicContact CD1-CG2 3.75Å; N226-T293 HydrophobicContact CB-CG2 3.61Å; K227-T293 HydrophobicContact CD-CG2 3.92Å; K227-T293 WeakPolarHBondContact CE-O 3.39Å; K227-T293 HydrophobicContact CG-CG2 3.75Å; N291-T293 VanDerWaalsContact C-N 3.26Å; N291-T293 PolarHBondContact O-N 3.43Å; T293-Y295 PolarHBondContact O-N 3.26Å
294F87Confident92.9Very high69 Ų6969 Ų6930%0.30334%0.335SS..  trans-72.5120.6-178.1178.9-99.1000110.9R103 I104 T296R103-F294 HydrophobicContact CB-CD1 3.51Å; R103-F294 HydrophobicContact CB-CD2 4.11Å; R103-F294 HydrophobicContact CB-CE1 3.42Å; R103-F294 VanDerWaalsContact CB-CE1 3.42Å; R103-F294 HydrophobicContact CB-CE2 4.07Å; R103-F294 HydrophobicContact CB-CG 3.86Å; R103-F294 HydrophobicContact CB-CZ 3.73Å; R103-F294 HydrophobicContact CG-CE1 4.32Å; R103-F294 HydrophobicContact CG-CE2 4.24Å; R103-F294 HydrophobicContact CG-CZ 4.13Å; I104-F294 HydrophobicContact CD1-CB 4.15Å; I104-F294 HydrophobicContact CG1-CB 3.9Å; F294-T296 HydrophobicContact CE2-CG2 3.53Å; F294-T296 HydrophobicContact CZ-CG2 3.56Å
295Y92.1Very high92.8Very high21 Ų2167.9 Ų67.98%0.08233%0.326CS..  trans-158.8138.2168.5-173.9-108.2000107.4V134 L187 L223 K227 I229 I242 T293V134-Y295 HydrophobicContact CG1-CE1 4.23Å; V134-Y295 VanDerWaalsContact CG1-OH 3.32Å; V134-Y295 WeakPolarHBondContact CG1-OH 3.35Å; L187-Y295 WeakPolarHBondContact CD2-O 3.49Å; L223-Y295 HydrophobicContact CD1-CD2 4.07Å; L223-Y295 HydrophobicContact CD1-CG 4.08Å; L223-Y295 HydrophobicContact CD2-CD2 3.49Å; L223-Y295 VanDerWaalsContact CD2-CD2 3.49Å; L223-Y295 HydrophobicContact CD2-CE2 3.95Å; L223-Y295 HydrophobicContact CD2-CG 4.33Å; L223-Y295 HydrophobicContact CG-CD2 4.4Å; K227-Y295 HydrophobicContact CD-CD1 4.41Å; K227-Y295 HydrophobicContact CD-CG 4.33Å; I229-Y295 HydrophobicContact CD1-CD1 4.35Å; I229-Y295 HydrophobicContact CD1-CD2 4.4Å; I229-Y295 HydrophobicContact CD1-CE1 4.13Å; I229-Y295 HydrophobicContact CD1-CE2 4.16Å; I229-Y295 HydrophobicContact CD1-CG 4.48Å; I229-Y295 HydrophobicContact CG1-CE1 4.41Å; I229-Y295 HydrophobicContact CG2-CE1 4.23Å; I242-Y295 HydrophobicContact CD1-CD1 4.12Å; I242-Y295 HydrophobicContact CD1-CE1 3.61Å; I242-Y295 HydrophobicContact CG1-CE1 4.43Å; T293-Y295 PolarHBondContact O-N 3.26Å
296T94.1Very high92.6Very high10 Ų1059.9 Ų59.96%0.06129%0.294CS..  trans-129.7143.6179.656.80000109.9L187 N189 F294L187-T296 CarbonylContact O-C 3.57Å; L187-T296 VanDerWaalsContact O-CA 3.22Å; L187-T296 WeakPolarHBondContact O-CA 3.21Å; L187-T296 WeakPolarHBondContact O-CB 3.38Å; N189-T296 HydrophobicContact CB-CG2 4.03Å; F294-T296 HydrophobicContact CE2-CG2 3.53Å; F294-T296 HydrophobicContact CZ-CG2 3.56Å
297L92.8Very high92.2Very high8 Ų864.8 Ų64.84%0.04232%0.318CS..  trans-57.10163.8-55.3178.1000110.2V134 S135 L187 F238 A240 I242 L260 M262V134-L297 VanDerWaalsContact CB-OXT 3.28Å; V134-L297 WeakPolarHBondContact CB-OXT 3.29Å; V134-L297 HydrophobicContact CG1-CD2 4.2Å; V134-L297 WeakPolarHBondContact CG2-OXT 3.48Å; S135-L297 WeakPolarHBondContact CA-OXT 3.35Å; S135-L297 WeakPolarHBondContact CB-OXT 3.47Å; S135-L297 PolarHBondContact N-OXT 2.93Å; S135-L297 VanDerWaalsContact OG-C 3.23Å; S135-L297 PolarHBondContact OG-O 2.99Å; S135-L297 PolarHBondContact OG-OXT 2.85Å; L187-L297 HydrophobicContact CB-CD1 4.39Å; L187-L297 HydrophobicContact CB-CG 4.14Å; L187-L297 PolarHBondContact O-N 3.34Å; F238-L297 HydrophobicContact CE2-CB 4.14Å; F238-L297 HydrophobicContact CE2-CD2 4.31Å; F238-L297 HydrophobicContact CZ-CB 3.96Å; F238-L297 VanDerWaalsContact CZ-OXT 3.28Å; F238-L297 WeakPolarHBondContact CZ-OXT 3.42Å; A240-L297 HydrophobicContact CB-CD2 3.54Å; I242-L297 HydrophobicContact CG1-CD2 4.14Å; L260-L297 HydrophobicContact CD2-CD1 4.45Å; M262-L297 HydrophobicContact CE-CD1 3.99Å

Retrieved 297 of 297 residues in 163.4 ms (Link to these results)

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