A0A077ZDC9_TRITR Loading...

Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZDC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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
1M40.4Very low71.5Confident243 Ų243118.4 Ų118.4100%1.19755%0.552SS**  01320-99.5170.8174.500107.7R3M1-R3 PolarHBondContact O-N 2.57Å
2N47.4Very low73.8Confident140 Ų140108.5 Ų108.575%0.74951%0.506SS*.  trans-70.6115.4173.2-80.3-18.3000108.4
3R59.1Low75.7Confident76 Ų76100.2 Ų100.229%0.28747%0.467SS..PPolyproline II helixtrans-59137173-148.6-169.2-165.512518.8109.6M1 E7 M8 I9 D72M1-R3 PolarHBondContact O-N 2.57Å; R3-E7 HydrophobicContact CG-CB 3.86Å; R3-E7 HydrophobicContact CG-CG 4.24Å; R3-E7 WeakPolarHBondContact CG-OE2 3.4Å; R3-E7 PolarHBondContact NE-O 2.83Å; R3-M8 VanDerWaalsContact CZ-O 3.25Å; R3-M8 PolarHBondContact NH2-O 2.91Å; R3-I9 VanDerWaalsContact NH1-CD1 3.27Å; R3-D72 IonicContact CZ-OD1 2.72Å; R3-D72 IonicContact CZ-OD2 3.97Å; R3-D72 IonicContact NH1-OD1 3.74Å; R3-D72 IonicContact NH1-OD2 2.66Å; R3-D72 PolarHBondContact NH1-OD2 3.26Å; R3-D72 IonicContact NH2-OD1 2.86Å; R3-D72 IonicContact NH2-OD2 3.38Å; R3-D72 PolarHBondContact NH2-OD2 2.81Å
4R55Low77.3Confident211 Ų21193 Ų9380%0.79643%0.434SS*.PPolyproline II helixtrans-72.8145178.4-61.9-176.4-162.2179.76.4109.3N6 E7R4-N6 PolarHBondContact O-N 2.97Å; R4-E7 PolarHBondContact O-N 2.67Å; R4-E7 VanDerWaalsContact O-N 3.11Å
5E50.5Low78.7Confident191 Ų19187.3 Ų87.389%0.89341%0.409SS*.THydrogen-bonded Turntrans-51.6126.9166.3-80.9175150.400108.4
6N60.8Low79.8Confident172 Ų17284.4 Ų84.492%0.9240%0.399SS*.THydrogen-bonded Turntrans857.7-173.1-58.7-26.6000119.2R4R4-N6 PolarHBondContact O-N 2.97Å
7E83.8Confident80.7Confident103 Ų10381.2 Ų81.248%0.48139%0.39SS..PPolyproline II helixtrans-85.5118.9172.4-162.2171.7-159.600110.9R3 R4R3-E7 HydrophobicContact CG-CB 3.86Å; R3-E7 HydrophobicContact CG-CG 4.24Å; R3-E7 WeakPolarHBondContact CG-OE2 3.4Å; R3-E7 PolarHBondContact NE-O 2.83Å; R4-E7 PolarHBondContact O-N 2.67Å; R4-E7 VanDerWaalsContact O-N 3.11Å
8M94.2Very high81.4Confident99 Ų9984 Ų8449%0.48840%0.402SS..PPolyproline II helixtrans-59136-176.6-63.4-174.2-68.200112.5R3 R10 G32 T34R3-M8 VanDerWaalsContact CZ-O 3.25Å; R3-M8 PolarHBondContact NH2-O 2.91Å; M8-R10 PolarHBondContact O-N 3.1Å; M8-G32 CarbonylContact C-O 3.53Å; M8-G32 WeakPolarHBondContact CA-O 3.26Å; M8-T34 HydrophobicContact CB-CG2 4.01Å; M8-T34 HydrophobicContact CE-CG2 4.08Å
9I97.9Very high82.1Confident9 Ų980.9 Ų80.95%0.04639%0.39CS..EExtended strand (participates in β ladder)trans-56.8126.1169.4-55.2-54.8000110.8R3 Y11 G32 G33 T34 I73 N290 L293R3-I9 VanDerWaalsContact NH1-CD1 3.27Å; I9-Y11 HydrophobicContact CB-CE2 4.13Å; I9-Y11 HydrophobicContact CG2-CD2 4.08Å; I9-Y11 HydrophobicContact CG2-CE2 3.63Å; I9-G32 WeakPolarHBondContact CB-O 3.45Å; I9-G32 WeakPolarHBondContact CG1-O 3.25Å; I9-G32 PolarHBondContact N-O 2.89Å; I9-G33 CarbonylContact O-C 3.55Å; I9-T34 PolarHBondContact O-N 3.46Å; I9-I73 HydrophobicContact CG2-CG2 3.59Å; I9-N290 HydrophobicContact CG1-CB 4.4Å; I9-L293 HydrophobicContact CD1-CB 4.06Å; I9-L293 HydrophobicContact CD1-CD1 4.25Å; I9-L293 HydrophobicContact CG1-CD1 4.25Å; I9-L293 HydrophobicContact CG2-CD1 3.62Å
10R98.4Very high82.9Confident58 Ų5876.9 Ų76.922%0.21937%0.37CS..EExtended strand (participates in β ladder)trans-99.2112.6-177.2-58.1168.3-61.3167.510110.1M8 T34 T36 E69 D70 D72 I73M8-R10 PolarHBondContact O-N 3.1Å; R10-T34 CarbonylContact C-O 3.53Å; R10-T34 WeakPolarHBondContact CA-O 3.38Å; R10-T34 HydrophobicContact CG-CG2 4.14Å; R10-T36 HydrophobicContact CB-CG2 3.63Å; R10-T36 HydrophobicContact CG-CG2 3.67Å; R10-E69 VanDerWaalsContact CZ-O 3.23Å; R10-E69 PolarHBondContact NH1-O 3.35Å; R10-E69 PolarHBondContact NH2-O 2.64Å; R10-D70 WeakPolarHBondContact CB-O 3.49Å; R10-D70 WeakPolarHBondContact CD-O 3.42Å; R10-D70 IonicContact NH1-OD1 3.81Å; R10-D70 PolarHBondContact NH1-OD1 3.28Å; R10-D72 WeakPolarHBondContact CA-OD2 3.35Å; R10-D72 WeakPolarHBondContact CB-OD2 3.3Å; R10-D72 IonicContact CZ-OD1 2.89Å; R10-D72 PolarHBondContact N-OD2 3.1Å; R10-D72 IonicContact NE-OD1 3.38Å; R10-D72 PolarHBondContact NE-OD1 3.49Å; R10-D72 IonicContact NE-OD2 3.64Å; R10-D72 PolarHBondContact NE-OD2 3.22Å; R10-D72 VanDerWaalsContact NE-OD2 3.17Å; R10-D72 IonicContact NH2-OD1 3.93Å; R10-D72 PolarHBondContact NH2-OD1 3.07Å; R10-D72 IonicContact NH2-OD2 3.99Å; R10-D72 PolarHBondContact O-N 3.18Å; R10-I73 PolarHBondContact O-N 2.86Å
11Y98.9Very high83.6Confident0 Ų075.8 Ų75.80%037%0.369CS..EExtended strand (participates in β ladder)trans-88.8130.6177.9-75.2-102000111.1I9 F23 V27 T34 T36 A37 I73 V286 V289 N290I9-Y11 HydrophobicContact CB-CE2 4.13Å; I9-Y11 HydrophobicContact CG2-CD2 4.08Å; I9-Y11 HydrophobicContact CG2-CE2 3.63Å; Y11-F23 HydrophobicContact CD1-CE1 4.13Å; Y11-F23 AromaticContact CD1-CZ 3.72Å; Y11-F23 HydrophobicContact CD1-CZ 3.72Å; Y11-F23 AromaticContact CE1-CZ 3.95Å; Y11-F23 HydrophobicContact CE1-CZ 3.95Å; Y11-V27 HydrophobicContact CD2-CG1 4.14Å; Y11-T34 PolarHBondContact N-O 3.38Å; Y11-T36 PolarHBondContact O-N 3.36Å; Y11-T36 PolarHBondContact O-OG1 3.09Å; Y11-A37 PolarHBondContact O-N 3.33Å; Y11-I73 WeakPolarHBondContact CA-O 3.33Å; Y11-I73 HydrophobicContact CD1-CG2 3.43Å; Y11-I73 VanDerWaalsContact CD1-CG2 3.43Å; Y11-I73 HydrophobicContact CD2-CG2 3.86Å; Y11-I73 HydrophobicContact CE1-CB 4.5Å; Y11-I73 HydrophobicContact CE1-CD1 4.14Å; Y11-I73 HydrophobicContact CE1-CG1 4.28Å; Y11-I73 HydrophobicContact CE1-CG2 3.45Å; Y11-I73 VanDerWaalsContact CE1-CG2 3.45Å; Y11-I73 HydrophobicContact CE2-CG2 3.88Å; Y11-I73 HydrophobicContact CG-CG2 3.64Å; Y11-V286 HydrophobicContact CE2-CG1 4.34Å; Y11-V289 VanDerWaalsContact OH-CG1 3.26Å; Y11-V289 WeakPolarHBondContact OH-CG1 3.35Å; Y11-N290 WeakPolarHBondContact CE2-OD1 3.47Å; Y11-N290 PolarHBondContact OH-OD1 3.29Å
12G98.9Very high86.3Confident0 Ų069.6 Ų69.60%033%0.332CS..EExtended strand (participates in β ladder)trans-103.9139.2162.900000110.3A37 I73 V74 Y75G12-A37 CarbonylContact C-O 3.49Å; G12-A37 WeakPolarHBondContact CA-O 3.43Å; G12-I73 PolarHBondContact N-O 2.82Å; G12-V74 CarbonylContact O-C 3.56Å; G12-V74 VanDerWaalsContact O-CA 3.28Å; G12-V74 WeakPolarHBondContact O-CA 3.42Å; G12-Y75 PolarHBondContact O-N 2.97Å
13I98.9Very high88.7Confident0 Ų062.9 Ų62.90%030%0.297CS..EExtended strand (participates in β ladder)trans-110.7122.1-178.2-58.3178.9000110V20 F23 V24 V35 A37 I38 A39 L65 Y75I13-V20 HydrophobicContact CD1-CG1 3.89Å; I13-V20 HydrophobicContact CG2-CG1 4.07Å; I13-V20 HydrophobicContact CG2-CG2 3.73Å; I13-F23 HydrophobicContact CD1-CD1 3.87Å; I13-F23 HydrophobicContact CD1-CE1 4.21Å; I13-F23 HydrophobicContact CG1-CD1 4.4Å; I13-F23 HydrophobicContact CG1-CE1 4.34Å; I13-V24 HydrophobicContact CD1-CG2 3.52Å; I13-V35 HydrophobicContact CD1-CG1 3.71Å; I13-V35 HydrophobicContact CD1-CG2 4.42Å; I13-V35 HydrophobicContact CG1-CG1 4.07Å; I13-A37 PolarHBondContact N-O 2.94Å; I13-I38 HydrophobicContact CB-CB 4.42Å; I13-I38 HydrophobicContact CB-CG1 4.12Å; I13-I38 HydrophobicContact CG2-CD1 4.46Å; I13-I38 HydrophobicContact CG2-CG1 4.3Å; I13-I38 CarbonylContact O-C 3.54Å; I13-I38 WeakPolarHBondContact O-CA 3.41Å; I13-A39 PolarHBondContact O-N 3.05Å; I13-L65 WeakPolarHBondContact O-CD1 3.3Å; I13-Y75 HydrophobicContact CG1-CD1 4.35Å; I13-Y75 HydrophobicContact CG2-CD1 4.1Å
14L98.7Very high90.5Very high0 Ų059.4 Ų59.40%028%0.284CS..EExtended strand (participates in β ladder)trans-91.2125168.9-60.9-174.1000109.9A39 Y62 L65 V74 Y75 V76 A77 V78 A86L14-A39 HydrophobicContact CD2-CB 4.01Å; L14-Y62 HydrophobicContact CB-CD1 4.3Å; L14-Y62 HydrophobicContact CB-CE1 4.4Å; L14-Y62 HydrophobicContact CD1-CG 4.4Å; L14-Y62 HydrophobicContact CD2-CD1 3.75Å; L14-Y62 HydrophobicContact CD2-CG 3.95Å; L14-Y62 HydrophobicContact CG-CD1 4.49Å; L14-L65 HydrophobicContact CD2-CB 4.26Å; L14-L65 HydrophobicContact CD2-CD1 4.23Å; L14-L65 HydrophobicContact CD2-CD2 3.8Å; L14-L65 HydrophobicContact CD2-CG 4.32Å; L14-V74 HydrophobicContact CB-CG1 4.47Å; L14-V74 HydrophobicContact CD1-CG1 3.73Å; L14-V74 HydrophobicContact CD2-CG1 4.35Å; L14-V74 HydrophobicContact CG-CG1 3.5Å; L14-V74 VanDerWaalsContact CG-CG1 3.5Å; L14-Y75 PolarHBondContact N-O 3.35Å; L14-V76 HydrophobicContact CD1-CG2 4.18Å; L14-A77 PolarHBondContact O-N 3.41Å; L14-V78 HydrophobicContact CB-CG1 4.26Å; L14-A86 HydrophobicContact CD1-CB 4.06Å
15S97.5Very high92.6Very high8 Ų851.8 Ų51.86%0.05627%0.266CS..SBendtrans91.9169.8-173.588.60000114.9A17 I38 A39 A77S15-A17 WeakPolarHBondContact OG-CB 3.17Å; S15-A17 PolarHBondContact OG-N 3.3Å; S15-I38 WeakPolarHBondContact O-CG1 3.35Å; S15-A39 CarbonylContact C-O 3.45Å; S15-A39 VanDerWaalsContact CA-O 3.26Å; S15-A39 WeakPolarHBondContact CA-O 3.37Å; S15-A39 PolarHBondContact N-O 3.21Å; S15-A77 VanDerWaalsContact OG-C 3.31Å; S15-A77 PolarHBondContact OG-O 3.24Å
16T96.6Very high94.8Very high40 Ų4042.7 Ų42.725%0.24522%0.223CC..  trans-120.944.617055.70000109.3I38 K45 M49T16-I38 HydrophobicContact CG2-CD1 4.05Å; T16-I38 HydrophobicContact CG2-CG1 4.47Å; T16-K45 HydrophobicContact CG2-CB 4.47Å; T16-M49 VanDerWaalsContact CA-SD 3.57Å; T16-M49 HydrophobicContact CG2-CB 4.09Å; T16-M49 HydrophobicContact CG2-SD 3.93Å
17A94.9Very high96.6Very high31 Ų3134.6 Ų34.626%0.25618%0.18SC..  trans-67.7160.1-17900000112.1S15 V19 V20 A77S15-A17 WeakPolarHBondContact OG-CB 3.17Å; S15-A17 PolarHBondContact OG-N 3.3Å; A17-V19 HydrophobicContact CB-CG1 4.19Å; A17-V19 PolarHBondContact O-N 3.33Å; A17-V19 VanDerWaalsContact O-N 3.12Å; A17-V20 HydrophobicContact CB-CG2 4.34Å; A17-V20 VanDerWaalsContact O-CB 3.29Å; A17-V20 WeakPolarHBondContact O-CB 3.22Å; A17-V20 WeakPolarHBondContact O-CG2 3.5Å; A17-V20 PolarHBondContact O-N 3.45Å; A17-A77 HydrophobicContact CB-CB 4.4Å; A17-A77 VanDerWaalsContact CB-O 3.27Å; A17-A77 WeakPolarHBondContact CB-O 3.39Å
18Q93.2Very high97.2Very high131 Ų13135.8 Ų35.861%0.61218%0.184SC*.THydrogen-bonded Turntrans-64.2-18.4-178.1-65.9-178.2-4.800114.1V20 H165Q18-V20 VanDerWaalsContact C-N 3.34Å; Q18-H165 PolarHBondContact OE1-CD2 3.12Å
19V94.6Very high97.2Very high26 Ų2634.9 Ų34.916%0.15818%0.178CC..THydrogen-bonded Turntrans-75.5-24.4175.768.90000112.5A17 R22 F23 Y75 A77 F282A17-V19 HydrophobicContact CB-CG1 4.19Å; A17-V19 PolarHBondContact O-N 3.33Å; A17-V19 VanDerWaalsContact O-N 3.12Å; V19-R22 PolarHBondContact O-N 3.5Å; V19-F23 PolarHBondContact O-N 2.92Å; V19-Y75 HydrophobicContact CG1-CE1 4.43Å; V19-Y75 WeakPolarHBondContact CG1-OH 3.5Å; V19-A77 HydrophobicContact CG1-CB 3.91Å; V19-F282 HydrophobicContact CG2-CE1 4.27Å; V19-F282 HydrophobicContact CG2-CE2 4.18Å; V19-F282 HydrophobicContact CG2-CZ 3.44Å; V19-F282 VanDerWaalsContact CG2-CZ 3.44Å
20V97.7Very high97.2Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-55.5-46.7-171.41720000113.3I13 A17 Q18 R22 F23 V24 I38 M49 L53I13-V20 HydrophobicContact CD1-CG1 3.89Å; I13-V20 HydrophobicContact CG2-CG1 4.07Å; I13-V20 HydrophobicContact CG2-CG2 3.73Å; A17-V20 HydrophobicContact CB-CG2 4.34Å; A17-V20 VanDerWaalsContact O-CB 3.29Å; A17-V20 WeakPolarHBondContact O-CB 3.22Å; A17-V20 WeakPolarHBondContact O-CG2 3.5Å; A17-V20 PolarHBondContact O-N 3.45Å; Q18-V20 VanDerWaalsContact C-N 3.34Å; V20-R22 VanDerWaalsContact C-N 3.29Å; V20-R22 PolarHBondContact O-N 2.92Å; V20-F23 PolarHBondContact O-N 3.32Å; V20-V24 HydrophobicContact CG1-CG2 4.07Å; V20-V24 VanDerWaalsContact O-CG2 3.3Å; V20-V24 WeakPolarHBondContact O-CG2 3.32Å; V20-V24 PolarHBondContact O-N 3.44Å; V20-I38 HydrophobicContact CG1-CD1 3.93Å; V20-M49 HydrophobicContact CB-SD 3.82Å; V20-M49 HydrophobicContact CG1-SD 3.58Å; V20-M49 VanDerWaalsContact CG1-SD 3.58Å; V20-M49 HydrophobicContact CG2-SD 4.43Å; V20-L53 HydrophobicContact CG1-CD1 3.92Å
21P97.7Very high96.9Very high53 Ų5340 Ų4034%0.34421%0.206SC..Hα-helixtrans-56.5-40.6177.5-2836.5000113.8A25 L53P21-A25 PolarHBondContact O-N 2.92Å; P21-L53 HydrophobicContact CB-CD1 4.43Å; P21-L53 HydrophobicContact CB-CD2 3.93Å; P21-L53 HydrophobicContact CG-CD1 4.24Å; P21-L53 HydrophobicContact CG-CD2 4.31Å
22R97Very high96.6Very high113 Ų11341.2 Ų41.243%0.42622%0.218SC..Hα-helixtrans-72-39.2178.8-70.2-173.8-68.5148.8-5.9112.1V19 V20 A25 G26 E281 F282V19-R22 PolarHBondContact O-N 3.5Å; V20-R22 VanDerWaalsContact C-N 3.29Å; V20-R22 PolarHBondContact O-N 2.92Å; R22-A25 PolarHBondContact O-N 3.43Å; R22-G26 PolarHBondContact O-N 3.1Å; R22-E281 IonicContact CZ-OE1 3.09Å; R22-E281 IonicContact NH1-OE1 2.61Å; R22-E281 PolarHBondContact NH1-OE1 3.43Å; R22-F282 HydrophobicContact CB-CD2 3.98Å; R22-F282 HydrophobicContact CB-CE2 3.65Å
23F98.1Very high96.6Very high0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-60.6-48.1173.2178.1-97.7000111Y11 I13 V19 V20 A25 G26 V27 Y75 L98 F282 V286Y11-F23 HydrophobicContact CD1-CE1 4.13Å; Y11-F23 AromaticContact CD1-CZ 3.72Å; Y11-F23 HydrophobicContact CD1-CZ 3.72Å; Y11-F23 AromaticContact CE1-CZ 3.95Å; Y11-F23 HydrophobicContact CE1-CZ 3.95Å; I13-F23 HydrophobicContact CD1-CD1 3.87Å; I13-F23 HydrophobicContact CD1-CE1 4.21Å; I13-F23 HydrophobicContact CG1-CD1 4.4Å; I13-F23 HydrophobicContact CG1-CE1 4.34Å; V19-F23 PolarHBondContact O-N 2.92Å; V20-F23 PolarHBondContact O-N 3.32Å; F23-A25 VanDerWaalsContact C-N 3.3Å; F23-A25 PolarHBondContact O-N 3.45Å; F23-G26 WeakPolarHBondContact O-CA 3.23Å; F23-G26 PolarHBondContact O-N 3.22Å; F23-V27 HydrophobicContact CD1-CG2 4.03Å; F23-V27 HydrophobicContact CE1-CG2 3.52Å; F23-V27 HydrophobicContact CE2-CG2 4.21Å; F23-V27 HydrophobicContact CZ-CG2 3.61Å; F23-V27 WeakPolarHBondContact O-CG2 3.44Å; F23-V27 PolarHBondContact O-N 3.27Å; F23-Y75 HydrophobicContact CB-CD1 4.35Å; F23-Y75 HydrophobicContact CB-CE1 3.79Å; F23-Y75 AromaticContact CD1-CD1 3.45Å; F23-Y75 HydrophobicContact CD1-CD1 3.45Å; F23-Y75 VanDerWaalsContact CD1-CD1 3.45Å; F23-Y75 AromaticContact CD1-CE1 3.79Å; F23-Y75 HydrophobicContact CD1-CE1 3.79Å; F23-Y75 HydrophobicContact CD1-CG 4.04Å; F23-Y75 HydrophobicContact CD2-CD1 4.02Å; F23-Y75 HydrophobicContact CD2-CD2 4.24Å; F23-Y75 AromaticContact CD2-CE1 3.86Å; F23-Y75 HydrophobicContact CD2-CE1 3.86Å; F23-Y75 HydrophobicContact CD2-CE2 4.08Å; F23-Y75 HydrophobicContact CD2-CG 4.21Å; F23-Y75 AromaticContact CD2-CZ 3.89Å; F23-Y75 AromaticContact CE1-CD1 3.64Å; F23-Y75 HydrophobicContact CE1-CD1 3.64Å; F23-Y75 HydrophobicContact CE1-CE1 4.36Å; F23-Y75 AromaticContact CE1-CG 3.76Å; F23-Y75 HydrophobicContact CE1-CG 3.76Å; F23-Y75 HydrophobicContact CE2-CD1 4.2Å; F23-Y75 AromaticContact CE2-CD2 3.96Å; F23-Y75 HydrophobicContact CE2-CD2 3.96Å; F23-Y75 HydrophobicContact CE2-CE1 4.43Å; F23-Y75 HydrophobicContact CE2-CE2 4.2Å; F23-Y75 AromaticContact CE2-CG 3.95Å; F23-Y75 HydrophobicContact CE2-CG 3.95Å; F23-Y75 AromaticContact CG-CD1 3.65Å; F23-Y75 HydrophobicContact CG-CD1 3.65Å; F23-Y75 AromaticContact CG-CE1 3.51Å; F23-Y75 HydrophobicContact CG-CE1 3.51Å; F23-Y75 HydrophobicContact CG-CG 4.25Å; F23-Y75 AromaticContact CG-CZ 4Å; F23-Y75 HydrophobicContact CZ-CD1 4.02Å; F23-Y75 HydrophobicContact CZ-CD2 4.15Å; F23-Y75 AromaticContact CZ-CG 3.72Å; F23-Y75 HydrophobicContact CZ-CG 3.72Å; F23-L98 HydrophobicContact CE2-CD2 3.82Å; F23-L98 HydrophobicContact CZ-CD2 4.22Å; F23-F282 HydrophobicContact CB-CD1 4.41Å; F23-F282 HydrophobicContact CB-CE1 4.37Å; F23-F282 AromaticContact CD2-CD1 3.8Å; F23-F282 HydrophobicContact CD2-CD1 3.8Å; F23-F282 HydrophobicContact CD2-CE1 4.13Å; F23-V286 HydrophobicContact CE2-CG2 3.89Å; F23-V286 HydrophobicContact CZ-CG2 4.39Å
24V98.3Very high96.5Very high3 Ų343.7 Ų43.72%0.01823%0.234CC..Hα-helixtrans-59.2-41.2177.21740000111.4I13 V20 G26 V27 K28 V35 L53 I55I13-V24 HydrophobicContact CD1-CG2 3.52Å; V20-V24 HydrophobicContact CG1-CG2 4.07Å; V20-V24 VanDerWaalsContact O-CG2 3.3Å; V20-V24 WeakPolarHBondContact O-CG2 3.32Å; V20-V24 PolarHBondContact O-N 3.44Å; V24-G26 VanDerWaalsContact C-N 3.35Å; V24-G26 PolarHBondContact O-N 3.44Å; V24-V27 PolarHBondContact O-N 3.5Å; V24-K28 HydrophobicContact CG1-CD 4.3Å; V24-K28 HydrophobicContact CG1-CG 4.48Å; V24-K28 WeakPolarHBondContact O-CG 3.19Å; V24-K28 PolarHBondContact O-N 3.25Å; V24-V35 HydrophobicContact CG1-CG2 4.38Å; V24-V35 HydrophobicContact CG2-CG1 4.46Å; V24-V35 HydrophobicContact CG2-CG2 4.2Å; V24-L53 HydrophobicContact CB-CD1 4.45Å; V24-L53 HydrophobicContact CG1-CB 4.35Å; V24-L53 HydrophobicContact CG2-CD1 4.01Å; V24-I55 HydrophobicContact CG2-CD1 4.09Å
25A97.3Very high96.5Very high51 Ų5144.3 Ų44.342%0.42124%0.238SC..Hα-helixtrans-60.9-42.5174.100000112.1P21 R22 F23 K28 E29P21-A25 PolarHBondContact O-N 2.92Å; R22-A25 PolarHBondContact O-N 3.43Å; F23-A25 VanDerWaalsContact C-N 3.3Å; F23-A25 PolarHBondContact O-N 3.45Å; A25-K28 PolarHBondContact O-N 3.27Å; A25-E29 PolarHBondContact O-N 3.23Å; A25-E29 VanDerWaalsContact O-N 3.08Å
26G97.4Very high96.6Very high0 Ų044.8 Ų44.80%024%0.241CC..Hα-helixtrans-61.6-42173.300000113.7R22 F23 V24 E29 S30 S280R22-G26 PolarHBondContact O-N 3.1Å; F23-G26 WeakPolarHBondContact O-CA 3.23Å; F23-G26 PolarHBondContact O-N 3.22Å; V24-G26 VanDerWaalsContact C-N 3.35Å; V24-G26 PolarHBondContact O-N 3.44Å; G26-E29 PolarHBondContact O-N 2.9Å; G26-S30 WeakPolarHBondContact O-CB 3.4Å; G26-S30 PolarHBondContact O-N 3.01Å; G26-S280 WeakPolarHBondContact CA-OG 3.41Å; G26-S280 PolarHBondContact N-OG 3.39Å
27V98.1Very high96.7Very high1 Ų142.9 Ų42.91%0.00623%0.229CC..Hα-helixtrans-65.1-40175.4179.90000111.3Y11 F23 V24 E29 S30 V35 V286Y11-V27 HydrophobicContact CD2-CG1 4.14Å; F23-V27 HydrophobicContact CD1-CG2 4.03Å; F23-V27 HydrophobicContact CE1-CG2 3.52Å; F23-V27 HydrophobicContact CE2-CG2 4.21Å; F23-V27 HydrophobicContact CZ-CG2 3.61Å; F23-V27 WeakPolarHBondContact O-CG2 3.44Å; F23-V27 PolarHBondContact O-N 3.27Å; V24-V27 PolarHBondContact O-N 3.5Å; V27-E29 VanDerWaalsContact C-N 3.26Å; V27-E29 PolarHBondContact O-N 3.07Å; V27-S30 WeakPolarHBondContact O-CB 3.4Å; V27-S30 PolarHBondContact O-N 3.41Å; V27-S30 PolarHBondContact O-OG 3.43Å; V27-V35 HydrophobicContact CB-CG2 3.78Å; V27-V35 HydrophobicContact CG1-CG2 3.69Å; V27-V35 HydrophobicContact CG2-CG2 4.02Å; V27-V286 HydrophobicContact CG2-CG1 4.06Å; V27-V286 HydrophobicContact CG2-CG2 3.94Å
28K96.5Very high96.8Very high129 Ų12941.4 Ų41.456%0.56122%0.217SC*.Hα-helixtrans-63.1-31.2175.8-74.6179.8-179.4-178.60112.9V24 A25 L53 D54V24-K28 HydrophobicContact CG1-CD 4.3Å; V24-K28 HydrophobicContact CG1-CG 4.48Å; V24-K28 WeakPolarHBondContact O-CG 3.19Å; V24-K28 PolarHBondContact O-N 3.25Å; A25-K28 PolarHBondContact O-N 3.27Å; K28-L53 PolarHBondContact NZ-O 3.28Å; K28-D54 IonicContact NZ-OD2 3.17Å
29E95.9Very high97.1Very high80 Ų8035.1 Ų35.137%0.37419%0.188SC..Hα-helixtrans-82.1-23.2175.9-165.2179.4166.300112.7A25 G26 V27 H279 S280 V283A25-E29 PolarHBondContact O-N 3.23Å; A25-E29 VanDerWaalsContact O-N 3.08Å; G26-E29 PolarHBondContact O-N 2.9Å; V27-E29 VanDerWaalsContact C-N 3.26Å; V27-E29 PolarHBondContact O-N 3.07Å; E29-H279 IonicContact OE1-CG 3.98Å; E29-H279 IonicContact OE1-ND1 2.73Å; E29-S280 WeakPolarHBondContact OE2-CB 3.01Å; E29-S280 PolarHBondContact OE2-N 2.86Å; E29-V283 HydrophobicContact CB-CB 4.32Å; E29-V283 HydrophobicContact CB-CG2 3.9Å; E29-V283 HydrophobicContact CG-CB 4.41Å; E29-V283 HydrophobicContact CG-CG2 3.93Å
30S96.1Very high97.2Very high14 Ų1434.3 Ų34.310%0.09818%0.183CC..SBendtrans-67.8155.9-175.675.50000113.7G26 V27 V286 D287G26-S30 WeakPolarHBondContact O-CB 3.4Å; G26-S30 PolarHBondContact O-N 3.01Å; V27-S30 WeakPolarHBondContact O-CB 3.4Å; V27-S30 PolarHBondContact O-N 3.41Å; V27-S30 PolarHBondContact O-OG 3.43Å; S30-V286 VanDerWaalsContact CB-CG1 3.5Å; S30-V286 WeakPolarHBondContact OG-CG1 3.26Å; S30-D287 VanDerWaalsContact CA-OD1 3.29Å; S30-D287 WeakPolarHBondContact CA-OD1 3.37Å; S30-D287 VanDerWaalsContact CB-OD1 3.23Å; S30-D287 WeakPolarHBondContact CB-OD1 3.33Å
31Q92.4Very high97.1Very high161 Ų16143 Ų4375%0.75222%0.216SC*.SBendtrans-85.6127.1168.9-61.9-172.7-0.700109.6G33 D287 N290Q31-G33 VanDerWaalsContact C-N 3.34Å; Q31-G33 PolarHBondContact O-N 2.91Å; Q31-D287 PolarHBondContact N-OD1 3.06Å; Q31-N290 PolarHBondContact O-ND2 3.35Å
32G93.9Very high96.9Very high24 Ų2442 Ų4225%0.24722%0.215CC..SBendtrans77.612.4173.400000115.1M8 I9M8-G32 CarbonylContact C-O 3.53Å; M8-G32 WeakPolarHBondContact CA-O 3.26Å; I9-G32 WeakPolarHBondContact CB-O 3.45Å; I9-G32 WeakPolarHBondContact CG1-O 3.25Å; I9-G32 PolarHBondContact N-O 2.89Å
33G97.1Very high97Very high7 Ų739.9 Ų39.97%0.07221%0.212CC..EExtended strand (participates in β ladder)trans-118.2147.5177.300000113.6I9 Q31 N290I9-G33 CarbonylContact O-C 3.55Å; Q31-G33 VanDerWaalsContact C-N 3.34Å; Q31-G33 PolarHBondContact O-N 2.91Å; G33-N290 PolarHBondContact N-ND2 3.44Å
34T98.1Very high97Very high45 Ų4547.4 Ų47.428%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-149.2148169.7-173.10000111.2M8 I9 R10 Y11 T36M8-T34 HydrophobicContact CB-CG2 4.01Å; M8-T34 HydrophobicContact CE-CG2 4.08Å; I9-T34 PolarHBondContact O-N 3.46Å; R10-T34 CarbonylContact C-O 3.53Å; R10-T34 WeakPolarHBondContact CA-O 3.38Å; R10-T34 HydrophobicContact CG-CG2 4.14Å; Y11-T34 PolarHBondContact N-O 3.38Å; T34-T36 HydrophobicContact CG2-CG2 4.12Å
35V98.6Very high96.9Very high13 Ų1354.1 Ų54.18%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-96.4119.4175.8-175.30000109.2I13 V24 V27 I55I13-V35 HydrophobicContact CD1-CG1 3.71Å; I13-V35 HydrophobicContact CD1-CG2 4.42Å; I13-V35 HydrophobicContact CG1-CG1 4.07Å; V24-V35 HydrophobicContact CG1-CG2 4.38Å; V24-V35 HydrophobicContact CG2-CG1 4.46Å; V24-V35 HydrophobicContact CG2-CG2 4.2Å; V27-V35 HydrophobicContact CB-CG2 3.78Å; V27-V35 HydrophobicContact CG1-CG2 3.69Å; V27-V35 HydrophobicContact CG2-CG2 4.02Å; V35-I55 HydrophobicContact CG1-CD1 3.9Å; V35-I55 HydrophobicContact CG1-CG1 3.97Å; V35-I55 HydrophobicContact CG1-CG2 4.05Å
36T98.5Very high97Very high18 Ų1851.7 Ų51.711%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-106.5-27.7-176.153.70000113.3R10 Y11 T34 Q57 D70R10-T36 HydrophobicContact CB-CG2 3.63Å; R10-T36 HydrophobicContact CG-CG2 3.67Å; Y11-T36 PolarHBondContact O-N 3.36Å; Y11-T36 PolarHBondContact O-OG1 3.09Å; T34-T36 HydrophobicContact CG2-CG2 4.12Å; T36-Q57 WeakPolarHBondContact O-CB 3.35Å; T36-Q57 PolarHBondContact O-N 3.26Å; T36-D70 PolarHBondContact OG1-O 3.4Å
37A98.7Very high97Very high0 Ų056.8 Ų56.80%028%0.279CS..EExtended strand (participates in β ladder)trans-144.3148.4-173.500000113.2Y11 G12 I13 Q57 Y59 L65 V71Y11-A37 PolarHBondContact O-N 3.33Å; G12-A37 CarbonylContact C-O 3.49Å; G12-A37 WeakPolarHBondContact CA-O 3.43Å; I13-A37 PolarHBondContact N-O 2.94Å; A37-Q57 CarbonylContact C-O 3.56Å; A37-Q57 VanDerWaalsContact CA-O 3.31Å; A37-Q57 WeakPolarHBondContact CA-O 3.44Å; A37-Q57 HydrophobicContact CB-CB 4.19Å; A37-Y59 HydrophobicContact CB-CD2 4.18Å; A37-Y59 HydrophobicContact CB-CE2 3.83Å; A37-L65 HydrophobicContact CB-CD1 3.82Å; A37-L65 HydrophobicContact CB-CG 4.11Å; A37-V71 HydrophobicContact CB-CG2 3.79Å
38I98.8Very high97Very high0 Ų063 Ų630%031%0.306CS..EExtended strand (participates in β ladder)trans-133.5143.9167.8-172.9168.2000110.4I13 S15 T16 V20 M49 A50 I55 Q57 A58 Y59I13-I38 HydrophobicContact CB-CB 4.42Å; I13-I38 HydrophobicContact CB-CG1 4.12Å; I13-I38 HydrophobicContact CG2-CD1 4.46Å; I13-I38 HydrophobicContact CG2-CG1 4.3Å; I13-I38 CarbonylContact O-C 3.54Å; I13-I38 WeakPolarHBondContact O-CA 3.41Å; S15-I38 WeakPolarHBondContact O-CG1 3.35Å; T16-I38 HydrophobicContact CG2-CD1 4.05Å; T16-I38 HydrophobicContact CG2-CG1 4.47Å; V20-I38 HydrophobicContact CG1-CD1 3.93Å; I38-M49 HydrophobicContact CD1-CB 4.14Å; I38-M49 HydrophobicContact CD1-CG 3.72Å; I38-M49 HydrophobicContact CD1-SD 3.53Å; I38-M49 VanDerWaalsContact CD1-SD 3.53Å; I38-A50 HydrophobicContact CG2-CB 3.64Å; I38-I55 HydrophobicContact CB-CD1 4.02Å; I38-I55 HydrophobicContact CB-CG2 4.38Å; I38-I55 HydrophobicContact CD1-CD1 4.22Å; I38-I55 HydrophobicContact CG2-CB 4.43Å; I38-I55 HydrophobicContact CG2-CD1 4.11Å; I38-I55 HydrophobicContact CG2-CG2 4.16Å; I38-Q57 PolarHBondContact N-O 3.47Å; I38-A58 HydrophobicContact CG2-CB 4.46Å; I38-A58 CarbonylContact O-C 3.55Å; I38-A58 WeakPolarHBondContact O-CA 2.87Å; I38-Y59 PolarHBondContact O-N 3.21Å
39A98.7Very high97.1Very high0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-128.4143177.400000112.4I13 L14 S15 Y59 Y62 L65I13-A39 PolarHBondContact O-N 3.05Å; L14-A39 HydrophobicContact CD2-CB 4.01Å; S15-A39 CarbonylContact C-O 3.45Å; S15-A39 VanDerWaalsContact CA-O 3.26Å; S15-A39 WeakPolarHBondContact CA-O 3.37Å; S15-A39 PolarHBondContact N-O 3.21Å; A39-Y59 WeakPolarHBondContact CA-O 3.42Å; A39-Y62 HydrophobicContact CB-CD1 3.86Å; A39-Y62 HydrophobicContact CB-CE1 4.43Å; A39-L65 HydrophobicContact CB-CB 3.74Å; A39-L65 HydrophobicContact CB-CD1 3.59Å; A39-L65 HydrophobicContact CB-CG 4.3Å
40S97.3Very high97.3Very high9 Ų954.5 Ų54.56%0.06327%0.27CS..  trans-133.6163.5168.3-163.50000109.1G42 Y59 G60 S61S40-G42 PolarHBondContact O-N 2.69Å; S40-Y59 PolarHBondContact N-O 3.25Å; S40-Y59 VanDerWaalsContact N-O 3.1Å; S40-G60 CarbonylContact O-C 2.97Å; S40-G60 WeakPolarHBondContact O-CA 3.42Å; S40-G60 VanDerWaalsContact O-O 3.07Å; S40-S61 PolarHBondContact O-N 3.42Å
41R94.2Very high97.4Very high183 Ų18361.5 Ų61.569%0.69130%0.302SS*.SBendtrans-66.3-12.5173-70.2178.5-72.7178.7-2.8113.1G60 Y62R41-G60 CarbonylContact C-O 3.59Å; R41-Y62 HydrophobicContact CG-CE2 4.26Å
42G94.4Very high97.7Very high32 Ų3259.5 Ų59.533%0.3329%0.292SS..SBendtrans-129.8125.4171.800000110.1S40 E44 K45 A46S40-G42 PolarHBondContact O-N 2.69Å; G42-E44 VanDerWaalsContact C-N 3.26Å; G42-E44 PolarHBondContact O-N 3.31Å; G42-K45 PolarHBondContact O-N 3.02Å; G42-K45 VanDerWaalsContact O-N 3.16Å; G42-A46 PolarHBondContact O-N 3.44Å
43I97.9Very high97.9Very high68 Ų6859.6 Ų59.635%0.34929%0.287SS..Hα-helixtrans-56.3-38.4-174.8-175.662000112.7K45 A46 Q47 A58I43-K45 VanDerWaalsContact C-N 3.33Å; I43-K45 PolarHBondContact O-N 3.26Å; I43-A46 WeakPolarHBondContact O-CB 3.22Å; I43-A46 PolarHBondContact O-N 2.92Å; I43-A46 VanDerWaalsContact O-N 3.15Å; I43-Q47 HydrophobicContact CD1-CG 4.01Å; I43-Q47 HydrophobicContact CG1-CG 4.06Å; I43-Q47 WeakPolarHBondContact O-CB 3.34Å; I43-Q47 WeakPolarHBondContact O-CG 3.37Å; I43-Q47 PolarHBondContact O-N 3.49Å; I43-A58 HydrophobicContact CD1-CB 4.5Å; I43-A58 WeakPolarHBondContact CD1-O 3.48Å
44E98.2Very high97.9Very high158 Ų15865.4 Ų65.474%0.73832%0.316SS*.Hα-helixtrans-59.7-41.8-179.7-63.4176.7179.200112.3G42 Q47 K48G42-E44 VanDerWaalsContact C-N 3.26Å; G42-E44 PolarHBondContact O-N 3.31Å; E44-Q47 PolarHBondContact O-N 2.88Å; E44-K48 WeakPolarHBondContact O-CB 3.35Å; E44-K48 PolarHBondContact O-N 2.95Å
45K97Very high97.9Very high143 Ų14363.8 Ų63.862%0.62231%0.306SS*.Hα-helixtrans-66.1-41.4177.3-70.5-177.9179.3179.20111.4T16 G42 I43 M49T16-K45 HydrophobicContact CG2-CB 4.47Å; G42-K45 PolarHBondContact O-N 3.02Å; G42-K45 VanDerWaalsContact O-N 3.16Å; I43-K45 VanDerWaalsContact C-N 3.33Å; I43-K45 PolarHBondContact O-N 3.26Å; K45-M49 PolarHBondContact O-N 3.06Å
46A98.5Very high97.9Very high0 Ų068 Ų680%033%0.334CS..Hα-helixtrans-64.4-47.7177.500000110.9G42 I43 M49 A50 A58 Y59G42-A46 PolarHBondContact O-N 3.44Å; I43-A46 WeakPolarHBondContact O-CB 3.22Å; I43-A46 PolarHBondContact O-N 2.92Å; I43-A46 VanDerWaalsContact O-N 3.15Å; A46-M49 PolarHBondContact O-N 3.04Å; A46-A50 WeakPolarHBondContact O-CB 2.99Å; A46-A50 PolarHBondContact O-N 3.48Å; A46-A58 HydrophobicContact CB-CB 4.07Å; A46-Y59 VanDerWaalsContact CB-O 3.3Å; A46-Y59 WeakPolarHBondContact CB-O 3.5Å
47Q98.6Very high97.9Very high107 Ų10769.6 Ų69.650%0.534%0.34SS..Hα-helixtrans-62.4-43.4179-76176.1-35.400112.2I43 E44 A50 Q51 A58I43-Q47 HydrophobicContact CD1-CG 4.01Å; I43-Q47 HydrophobicContact CG1-CG 4.06Å; I43-Q47 WeakPolarHBondContact O-CB 3.34Å; I43-Q47 WeakPolarHBondContact O-CG 3.37Å; I43-Q47 PolarHBondContact O-N 3.49Å; E44-Q47 PolarHBondContact O-N 2.88Å; Q47-A50 PolarHBondContact O-N 3.28Å; Q47-Q51 WeakPolarHBondContact O-CB 3.43Å; Q47-Q51 PolarHBondContact O-N 3.46Å; Q47-A58 HydrophobicContact CB-CB 4.34Å; Q47-A58 HydrophobicContact CG-CB 3.71Å
48K98.6Very high97.9Very high132 Ų13271 Ų7157%0.57435%0.351SS*.Hα-helixtrans-57-53.4176.9179.9178.6173.9178.90111.3E44 A50 Q51 E52E44-K48 WeakPolarHBondContact O-CB 3.35Å; E44-K48 PolarHBondContact O-N 2.95Å; K48-A50 VanDerWaalsContact C-N 3.33Å; K48-A50 PolarHBondContact O-N 3.37Å; K48-Q51 PolarHBondContact O-N 2.9Å; K48-E52 WeakPolarHBondContact CE-OE1 3.4Å; K48-E52 IonicContact NZ-OE1 3.51Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 3.37Å
49M98.5Very high97.9Very high24 Ų2473.3 Ų73.312%0.11836%0.36CS..Hα-helixtrans-68.1-34.2-179.9-176.5168.3-77.300112.1T16 V20 I38 K45 A46 Q51 E52 L53T16-M49 VanDerWaalsContact CA-SD 3.57Å; T16-M49 HydrophobicContact CG2-CB 4.09Å; T16-M49 HydrophobicContact CG2-SD 3.93Å; V20-M49 HydrophobicContact CB-SD 3.82Å; V20-M49 HydrophobicContact CG1-SD 3.58Å; V20-M49 VanDerWaalsContact CG1-SD 3.58Å; V20-M49 HydrophobicContact CG2-SD 4.43Å; I38-M49 HydrophobicContact CD1-CB 4.14Å; I38-M49 HydrophobicContact CD1-CG 3.72Å; I38-M49 HydrophobicContact CD1-SD 3.53Å; I38-M49 VanDerWaalsContact CD1-SD 3.53Å; K45-M49 PolarHBondContact O-N 3.06Å; A46-M49 PolarHBondContact O-N 3.04Å; M49-Q51 VanDerWaalsContact C-N 3.34Å; M49-E52 PolarHBondContact O-N 3.01Å; M49-L53 HydrophobicContact CG-CD1 3.59Å; M49-L53 HydrophobicContact CG-CG 4.24Å; M49-L53 WeakPolarHBondContact O-CB 3.5Å; M49-L53 WeakPolarHBondContact O-CG 3.4Å; M49-L53 PolarHBondContact O-N 3.37Å; M49-L53 VanDerWaalsContact O-N 3.08Å; M49-L53 HydrophobicContact SD-CD1 4.25Å
50A98.6Very high97.8Very high7 Ų774.6 Ų74.66%0.05837%0.373CS..Hα-helixtrans-61-44.3174.600000111.6I38 A46 Q47 K48 L53 D54 I55 A58I38-A50 HydrophobicContact CG2-CB 3.64Å; A46-A50 WeakPolarHBondContact O-CB 2.99Å; A46-A50 PolarHBondContact O-N 3.48Å; Q47-A50 PolarHBondContact O-N 3.28Å; K48-A50 VanDerWaalsContact C-N 3.33Å; K48-A50 PolarHBondContact O-N 3.37Å; A50-L53 PolarHBondContact O-N 2.75Å; A50-D54 WeakPolarHBondContact O-CA 3.23Å; A50-D54 PolarHBondContact O-N 3.17Å; A50-I55 HydrophobicContact CB-CB 4.11Å; A50-I55 PolarHBondContact O-N 2.87Å; A50-A58 HydrophobicContact CB-CB 3.92Å
51Q98.4Very high97.9Very high161 Ų16175.5 Ų75.575%0.75238%0.38SS*.Hα-helixtrans-65-42.8176.3-174.3178.85.700112Q47 K48 M49 L53Q47-Q51 WeakPolarHBondContact O-CB 3.43Å; Q47-Q51 PolarHBondContact O-N 3.46Å; K48-Q51 PolarHBondContact O-N 2.9Å; M49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.49Å
52E98.3Very high98.1Very high118 Ų11868.5 Ų68.555%0.55135%0.354SS*.Hα-helixtrans-64.6-26.9179-73170.2-177.900113.3K48 M49K48-E52 WeakPolarHBondContact CE-OE1 3.4Å; K48-E52 IonicContact NZ-OE1 3.51Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 3.37Å; M49-E52 PolarHBondContact O-N 3.01Å
53L98.3Very high98.3Very high26 Ų2671.3 Ų71.314%0.13636%0.358CS..Hα-helixtrans-112.23.5-173.4-60.4179.1000114V20 P21 V24 K28 M49 A50 Q51 I55V20-L53 HydrophobicContact CG1-CD1 3.92Å; P21-L53 HydrophobicContact CB-CD1 4.43Å; P21-L53 HydrophobicContact CB-CD2 3.93Å; P21-L53 HydrophobicContact CG-CD1 4.24Å; P21-L53 HydrophobicContact CG-CD2 4.31Å; V24-L53 HydrophobicContact CB-CD1 4.45Å; V24-L53 HydrophobicContact CG1-CB 4.35Å; V24-L53 HydrophobicContact CG2-CD1 4.01Å; K28-L53 PolarHBondContact NZ-O 3.28Å; M49-L53 HydrophobicContact CG-CD1 3.59Å; M49-L53 HydrophobicContact CG-CG 4.24Å; M49-L53 WeakPolarHBondContact O-CB 3.5Å; M49-L53 WeakPolarHBondContact O-CG 3.4Å; M49-L53 PolarHBondContact O-N 3.37Å; M49-L53 VanDerWaalsContact O-N 3.08Å; M49-L53 HydrophobicContact SD-CD1 4.25Å; A50-L53 PolarHBondContact O-N 2.75Å; Q51-L53 PolarHBondContact O-N 3.49Å; L53-I55 HydrophobicContact CB-CD1 4.04Å; L53-I55 HydrophobicContact CB-CG1 4.01Å; L53-I55 HydrophobicContact CD1-CD1 4.29Å
54D98.2Very high98.3Very high130 Ų13074 Ų7470%0.69537%0.367SS*.THydrogen-bonded Turntrans56.643.2-174.2-53-59.2000113.5K28 A50K28-D54 IonicContact NZ-OD2 3.17Å; A50-D54 WeakPolarHBondContact O-CA 3.23Å; A50-D54 PolarHBondContact O-N 3.17Å
55I98.5Very high98.3Very high11 Ų1166.5 Ų66.56%0.05633%0.332CS..  trans-89.8123.8176.5-57.7172000109.2V24 V35 I38 A50 L53 Q57V24-I55 HydrophobicContact CG2-CD1 4.09Å; V35-I55 HydrophobicContact CG1-CD1 3.9Å; V35-I55 HydrophobicContact CG1-CG1 3.97Å; V35-I55 HydrophobicContact CG1-CG2 4.05Å; I38-I55 HydrophobicContact CB-CD1 4.02Å; I38-I55 HydrophobicContact CB-CG2 4.38Å; I38-I55 HydrophobicContact CD1-CD1 4.22Å; I38-I55 HydrophobicContact CG2-CB 4.43Å; I38-I55 HydrophobicContact CG2-CD1 4.11Å; I38-I55 HydrophobicContact CG2-CG2 4.16Å; A50-I55 HydrophobicContact CB-CB 4.11Å; A50-I55 PolarHBondContact O-N 2.87Å; L53-I55 HydrophobicContact CB-CD1 4.04Å; L53-I55 HydrophobicContact CB-CG1 4.01Å; L53-I55 HydrophobicContact CD1-CD1 4.29Å; I55-Q57 PolarHBondContact O-N 3.5Å
56P98.1Very high98.4Very high102 Ų10259.7 Ų59.766%0.66230%0.303SS*.SBendtrans-61.1-36.8-171.6-27.434.4000115.8
57Q98.4Very high98.4Very high51 Ų5165.8 Ų65.824%0.23833%0.331CS..EExtended strand (participates in β ladder)trans-123.4136.4-173.5-56.7-176.79.400111.9T36 A37 I38 I55 Y59 D70T36-Q57 WeakPolarHBondContact O-CB 3.35Å; T36-Q57 PolarHBondContact O-N 3.26Å; A37-Q57 CarbonylContact C-O 3.56Å; A37-Q57 VanDerWaalsContact CA-O 3.31Å; A37-Q57 WeakPolarHBondContact CA-O 3.44Å; A37-Q57 HydrophobicContact CB-CB 4.19Å; I38-Q57 PolarHBondContact N-O 3.47Å; I55-Q57 PolarHBondContact O-N 3.5Å; Q57-Y59 HydrophobicContact CB-CE2 3.89Å; Q57-Y59 PolarHBondContact OE1-OH 3.16Å; Q57-D70 PolarHBondContact NE2-OD2 3.35Å
58A98.6Very high98.4Very high29 Ų2961.1 Ų61.124%0.2431%0.311CS..EExtended strand (participates in β ladder)trans-123.9131174.300000110.5I38 I43 A46 Q47 A50I38-A58 HydrophobicContact CG2-CB 4.46Å; I38-A58 CarbonylContact O-C 3.55Å; I38-A58 WeakPolarHBondContact O-CA 2.87Å; I43-A58 HydrophobicContact CD1-CB 4.5Å; I43-A58 WeakPolarHBondContact CD1-O 3.48Å; A46-A58 HydrophobicContact CB-CB 4.07Å; Q47-A58 HydrophobicContact CB-CB 4.34Å; Q47-A58 HydrophobicContact CG-CB 3.71Å; A50-A58 HydrophobicContact CB-CB 3.92Å
59Y98.5Very high98.3Very high48 Ų4863 Ų6319%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-117.1141.4-179.9-65.1-82.3000111.9A37 I38 A39 S40 A46 Q57 S61 K64 L65 S68A37-Y59 HydrophobicContact CB-CD2 4.18Å; A37-Y59 HydrophobicContact CB-CE2 3.83Å; I38-Y59 PolarHBondContact O-N 3.21Å; A39-Y59 WeakPolarHBondContact CA-O 3.42Å; S40-Y59 PolarHBondContact N-O 3.25Å; S40-Y59 VanDerWaalsContact N-O 3.1Å; A46-Y59 VanDerWaalsContact CB-O 3.3Å; A46-Y59 WeakPolarHBondContact CB-O 3.5Å; Q57-Y59 HydrophobicContact CB-CE2 3.89Å; Q57-Y59 PolarHBondContact OE1-OH 3.16Å; Y59-S61 VanDerWaalsContact C-N 3.31Å; Y59-K64 HydrophobicContact CD1-CB 3.55Å; Y59-K64 HydrophobicContact CD1-CD 4.43Å; Y59-K64 HydrophobicContact CE1-CB 4.2Å; Y59-K64 HydrophobicContact CG-CB 4.16Å; Y59-L65 HydrophobicContact CD2-CB 3.79Å; Y59-L65 HydrophobicContact CD2-CD1 4.31Å; Y59-L65 HydrophobicContact CD2-CG 4.22Å; Y59-L65 HydrophobicContact CE2-CB 4.43Å; Y59-L65 HydrophobicContact CG-CB 4.18Å; Y59-S68 PolarHBondContact OH-OG 2.64Å
60G97.8Very high98.2Very high27 Ų2765 Ų6528%0.27833%0.332SS..SBendtrans-86.74.5176.800000114.6S40 R41S40-G60 CarbonylContact O-C 2.97Å; S40-G60 WeakPolarHBondContact O-CA 3.42Å; S40-G60 VanDerWaalsContact O-O 3.07Å; R41-G60 CarbonylContact C-O 3.59Å
61S97.9Very high98.2Very high29 Ų2964.7 Ų64.720%0.20333%0.33CS..SBendtrans-151.7155173.585.30000110.4S40 Y59 E63 K64S40-S61 PolarHBondContact O-N 3.42Å; Y59-S61 VanDerWaalsContact C-N 3.31Å; S61-E63 VanDerWaalsContact C-N 3.34Å; S61-E63 WeakPolarHBondContact CB-OE2 3.45Å; S61-E63 PolarHBondContact OG-OE2 2.8Å; S61-E63 VanDerWaalsContact OG-OE2 3.09Å; S61-K64 WeakPolarHBondContact OG-CG 3.43Å; S61-K64 PolarHBondContact OG-N 3.3Å
62Y98.4Very high98.2Very high35 Ų3558.5 Ų58.514%0.13730%0.302CS..Hα-helixtrans-70.9-35.1179.5-60.7-22.6000111.2L14 A39 R41 K64 L65 C66 V78L14-Y62 HydrophobicContact CB-CD1 4.3Å; L14-Y62 HydrophobicContact CB-CE1 4.4Å; L14-Y62 HydrophobicContact CD1-CG 4.4Å; L14-Y62 HydrophobicContact CD2-CD1 3.75Å; L14-Y62 HydrophobicContact CD2-CG 3.95Å; L14-Y62 HydrophobicContact CG-CD1 4.49Å; A39-Y62 HydrophobicContact CB-CD1 3.86Å; A39-Y62 HydrophobicContact CB-CE1 4.43Å; R41-Y62 HydrophobicContact CG-CE2 4.26Å; Y62-K64 VanDerWaalsContact C-N 3.33Å; Y62-K64 PolarHBondContact O-N 3.27Å; Y62-L65 PolarHBondContact O-N 3.47Å; Y62-C66 PolarHBondContact O-N 3.33Å; Y62-C66 PolarHBondContact O-SG 3.36Å; Y62-V78 HydrophobicContact CE2-CG1 3.78Å
63E98.3Very high98.2Very high91 Ų9152.9 Ų52.943%0.42528%0.276SS..Hα-helixtrans-58.1-44.9178.2-59.575.5-167.500111.2S61 L65 C66 Q67 L89S61-E63 VanDerWaalsContact C-N 3.34Å; S61-E63 WeakPolarHBondContact CB-OE2 3.45Å; S61-E63 PolarHBondContact OG-OE2 2.8Å; S61-E63 VanDerWaalsContact OG-OE2 3.09Å; E63-L65 PolarHBondContact O-N 3.4Å; E63-C66 PolarHBondContact O-N 3.13Å; E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-Q67 VanDerWaalsContact O-CG 3.23Å; E63-Q67 WeakPolarHBondContact O-CG 3.07Å; E63-Q67 PolarHBondContact O-N 3.31Å; E63-L89 HydrophobicContact CG-CD1 4.15Å; E63-L89 HydrophobicContact CG-CD2 4.07Å
64K98.2Very high98.2Very high125 Ų12551.7 Ų51.754%0.54327%0.269SS..Hα-helixtrans-64.4-39.4180-75.8-177176.4-173.30112.5Y59 S61 Y62 Q67 S68Y59-K64 HydrophobicContact CD1-CB 3.55Å; Y59-K64 HydrophobicContact CD1-CD 4.43Å; Y59-K64 HydrophobicContact CE1-CB 4.2Å; Y59-K64 HydrophobicContact CG-CB 4.16Å; S61-K64 WeakPolarHBondContact OG-CG 3.43Å; S61-K64 PolarHBondContact OG-N 3.3Å; Y62-K64 VanDerWaalsContact C-N 3.33Å; Y62-K64 PolarHBondContact O-N 3.27Å; K64-Q67 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-N 3.12Å
65L98.7Very high98.3Very high0 Ų045.5 Ų45.50%024%0.236CC..Hα-helixtrans-68-44.2174.8-178.5154.9000111I13 L14 A37 A39 Y59 Y62 E63 Q67 S68 V71 V74I13-L65 WeakPolarHBondContact O-CD1 3.3Å; L14-L65 HydrophobicContact CD2-CB 4.26Å; L14-L65 HydrophobicContact CD2-CD1 4.23Å; L14-L65 HydrophobicContact CD2-CD2 3.8Å; L14-L65 HydrophobicContact CD2-CG 4.32Å; A37-L65 HydrophobicContact CB-CD1 3.82Å; A37-L65 HydrophobicContact CB-CG 4.11Å; A39-L65 HydrophobicContact CB-CB 3.74Å; A39-L65 HydrophobicContact CB-CD1 3.59Å; A39-L65 HydrophobicContact CB-CG 4.3Å; Y59-L65 HydrophobicContact CD2-CB 3.79Å; Y59-L65 HydrophobicContact CD2-CD1 4.31Å; Y59-L65 HydrophobicContact CD2-CG 4.22Å; Y59-L65 HydrophobicContact CE2-CB 4.43Å; Y59-L65 HydrophobicContact CG-CB 4.18Å; Y62-L65 PolarHBondContact O-N 3.47Å; E63-L65 PolarHBondContact O-N 3.4Å; L65-Q67 PolarHBondContact O-N 3.16Å; L65-S68 VanDerWaalsContact O-CB 3.22Å; L65-S68 WeakPolarHBondContact O-CB 3.28Å; L65-S68 PolarHBondContact O-N 3.19Å; L65-V71 HydrophobicContact CD2-CG1 4.35Å; L65-V71 HydrophobicContact CD2-CG2 4.32Å; L65-V71 HydrophobicContact CG-CG2 4.36Å; L65-V74 HydrophobicContact CD2-CG1 4.47Å; L65-V74 HydrophobicContact CD2-CG2 3.95Å
66C98.6Very high98.3Very high0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-62.8-27.3177.4-68.30000112.7Y62 E63 L89 N93 K95Y62-C66 PolarHBondContact O-N 3.33Å; Y62-C66 PolarHBondContact O-SG 3.36Å; E63-C66 PolarHBondContact O-N 3.13Å; C66-L89 HydrophobicContact CB-CG 4.34Å; C66-N93 HydrophobicContact CB-CB 3.96Å; C66-N93 VanDerWaalsContact O-CB 3.26Å; C66-N93 WeakPolarHBondContact O-CB 3.19Å; C66-K95 WeakPolarHBondContact O-CE 3.48Å
67Q98.5Very high98.2Very high129 Ų12940.3 Ų40.360%0.60320%0.204SC*.Hα-helixtrans-83.3-12.3174.4-71.8168.8-10.200113.8E63 K64 L65 E69 N93E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-Q67 VanDerWaalsContact O-CG 3.23Å; E63-Q67 WeakPolarHBondContact O-CG 3.07Å; E63-Q67 PolarHBondContact O-N 3.31Å; K64-Q67 PolarHBondContact O-N 3.17Å; L65-Q67 PolarHBondContact O-N 3.16Å; Q67-E69 PolarHBondContact O-N 3.24Å; Q67-N93 WeakPolarHBondContact CG-OD1 3.35Å
68S98.2Very high98.1Very high9 Ų938.4 Ų38.46%0.06320%0.196CC..  trans-64.7131.5-175.7-177.80000111.6Y59 K64 L65 D70 K95Y59-S68 PolarHBondContact OH-OG 2.64Å; K64-S68 PolarHBondContact O-N 3.12Å; L65-S68 VanDerWaalsContact O-CB 3.22Å; L65-S68 WeakPolarHBondContact O-CB 3.28Å; L65-S68 PolarHBondContact O-N 3.19Å; S68-D70 PolarHBondContact O-N 3.37Å; S68-D70 PolarHBondContact OG-N 3.15Å; S68-D70 VanDerWaalsContact OG-N 3.15Å; S68-K95 WeakPolarHBondContact O-CE 3.3Å; S68-K95 PolarHBondContact O-NZ 2.85Å
69E96.9Very high97.9Very high170 Ų17040.8 Ų40.879%0.79420%0.199SC*.THydrogen-bonded Turntrans-71.1-10.8171.6-63.4-173.4174.100112.5R10 Q67 V71R10-E69 VanDerWaalsContact CZ-O 3.23Å; R10-E69 PolarHBondContact NH1-O 3.35Å; R10-E69 PolarHBondContact NH2-O 2.64Å; Q67-E69 PolarHBondContact O-N 3.24Å; E69-V71 VanDerWaalsContact C-N 3.33Å
70D96.3Very high97.7Very high66 Ų6639 Ų3935%0.35319%0.193SC..THydrogen-bonded Turntrans-896.2-179.4-66.5-44.4000114.7R10 T36 Q57 S68R10-D70 WeakPolarHBondContact CB-O 3.49Å; R10-D70 WeakPolarHBondContact CD-O 3.42Å; R10-D70 IonicContact NH1-OD1 3.81Å; R10-D70 PolarHBondContact NH1-OD1 3.28Å; T36-D70 PolarHBondContact OG1-O 3.4Å; Q57-D70 PolarHBondContact NE2-OD2 3.35Å; S68-D70 PolarHBondContact O-N 3.37Å; S68-D70 PolarHBondContact OG-N 3.15Å; S68-D70 VanDerWaalsContact OG-N 3.15Å
71V98.5Very high97.6Very high1 Ų142.9 Ų42.91%0.00620%0.202CC..  trans-125.7129.5-177.9175.80000109.8A37 L65 E69 I73 V74 K95A37-V71 HydrophobicContact CB-CG2 3.79Å; L65-V71 HydrophobicContact CD2-CG1 4.35Å; L65-V71 HydrophobicContact CD2-CG2 4.32Å; L65-V71 HydrophobicContact CG-CG2 4.36Å; E69-V71 VanDerWaalsContact C-N 3.33Å; V71-I73 WeakPolarHBondContact CG1-O 3.3Å; V71-V74 HydrophobicContact CG1-CG2 3.84Å; V71-K95 HydrophobicContact CG1-CD 4.42Å; V71-K95 WeakPolarHBondContact O-CD 3.39Å; V71-K95 WeakPolarHBondContact O-CE 3.37Å; V71-K95 PolarHBondContact O-NZ 3.26Å
72D98.4Very high97.5Very high32 Ų3241.8 Ų41.817%0.17120%0.196CC..SBendtrans-104.4-38.4175-44.1-64.6000111.7R3 R10 H96R3-D72 IonicContact CZ-OD1 2.72Å; R3-D72 IonicContact CZ-OD2 3.97Å; R3-D72 IonicContact NH1-OD1 3.74Å; R3-D72 IonicContact NH1-OD2 2.66Å; R3-D72 PolarHBondContact NH1-OD2 3.26Å; R3-D72 IonicContact NH2-OD1 2.86Å; R3-D72 IonicContact NH2-OD2 3.38Å; R3-D72 PolarHBondContact NH2-OD2 2.81Å; R10-D72 WeakPolarHBondContact CA-OD2 3.35Å; R10-D72 WeakPolarHBondContact CB-OD2 3.3Å; R10-D72 IonicContact CZ-OD1 2.89Å; R10-D72 PolarHBondContact N-OD2 3.1Å; R10-D72 IonicContact NE-OD1 3.38Å; R10-D72 PolarHBondContact NE-OD1 3.49Å; R10-D72 IonicContact NE-OD2 3.64Å; R10-D72 PolarHBondContact NE-OD2 3.22Å; R10-D72 VanDerWaalsContact NE-OD2 3.17Å; R10-D72 IonicContact NH2-OD1 3.93Å; R10-D72 PolarHBondContact NH2-OD1 3.07Å; R10-D72 IonicContact NH2-OD2 3.99Å; R10-D72 PolarHBondContact O-N 3.18Å; D72-H96 PolarHBondContact O-CD2 3.45Å; D72-H96 PolarHBondContact O-N 3.43Å
73I98.9Very high97.5Very high0 Ų040.2 Ų40.20%019%0.19CC..EExtended strand (participates in β ladder)trans-128.8140.8178.9-177.2162.3000110.2I9 R10 Y11 G12 V71 H96 L98 F123 V289 L293I9-I73 HydrophobicContact CG2-CG2 3.59Å; R10-I73 PolarHBondContact O-N 2.86Å; Y11-I73 WeakPolarHBondContact CA-O 3.33Å; Y11-I73 HydrophobicContact CD1-CG2 3.43Å; Y11-I73 VanDerWaalsContact CD1-CG2 3.43Å; Y11-I73 HydrophobicContact CD2-CG2 3.86Å; Y11-I73 HydrophobicContact CE1-CB 4.5Å; Y11-I73 HydrophobicContact CE1-CD1 4.14Å; Y11-I73 HydrophobicContact CE1-CG1 4.28Å; Y11-I73 HydrophobicContact CE1-CG2 3.45Å; Y11-I73 VanDerWaalsContact CE1-CG2 3.45Å; Y11-I73 HydrophobicContact CE2-CG2 3.88Å; Y11-I73 HydrophobicContact CG-CG2 3.64Å; G12-I73 PolarHBondContact N-O 2.82Å; V71-I73 WeakPolarHBondContact CG1-O 3.3Å; I73-H96 CarbonylContact C-O 3.57Å; I73-H96 WeakPolarHBondContact CA-O 3.25Å; I73-H96 HydrophobicContact CB-CB 3.83Å; I73-H96 HydrophobicContact CD1-CB 4.08Å; I73-H96 HydrophobicContact CG1-CB 3.83Å; I73-L98 HydrophobicContact CD1-CB 4.18Å; I73-F123 HydrophobicContact CD1-CD1 4.27Å; I73-V289 HydrophobicContact CD1-CG1 3.51Å; I73-L293 HydrophobicContact CB-CD1 4.25Å; I73-L293 HydrophobicContact CD1-CD1 4.01Å; I73-L293 HydrophobicContact CG2-CD1 4.29Å
74V98.9Very high97.5Very high0 Ų037.3 Ų37.30%018%0.175CC..EExtended strand (participates in β ladder)trans-107.7120.7177.4177.70000109.6G12 L14 L65 V71 V76 A90 K95 H96 V97 L98G12-V74 CarbonylContact O-C 3.56Å; G12-V74 VanDerWaalsContact O-CA 3.28Å; G12-V74 WeakPolarHBondContact O-CA 3.42Å; L14-V74 HydrophobicContact CB-CG1 4.47Å; L14-V74 HydrophobicContact CD1-CG1 3.73Å; L14-V74 HydrophobicContact CD2-CG1 4.35Å; L14-V74 HydrophobicContact CG-CG1 3.5Å; L14-V74 VanDerWaalsContact CG-CG1 3.5Å; L65-V74 HydrophobicContact CD2-CG1 4.47Å; L65-V74 HydrophobicContact CD2-CG2 3.95Å; V71-V74 HydrophobicContact CG1-CG2 3.84Å; V74-V76 HydrophobicContact CG1-CG2 3.79Å; V74-A90 HydrophobicContact CB-CB 3.98Å; V74-A90 HydrophobicContact CG1-CB 4.2Å; V74-A90 HydrophobicContact CG2-CB 4.02Å; V74-K95 HydrophobicContact CG2-CB 3.77Å; V74-K95 HydrophobicContact CG2-CG 3.97Å; V74-H96 PolarHBondContact N-O 3.3Å; V74-V97 WeakPolarHBondContact O-CA 3.37Å; V74-L98 PolarHBondContact O-N 3.35Å
75Y98.9Very high97.6Very high0 Ų036.3 Ų36.30%018%0.176CC..EExtended strand (participates in β ladder)trans-84.9114.6165.2174.8-123.5000109.3G12 I13 L14 V19 F23 A77 L98 E100 A127G12-Y75 PolarHBondContact O-N 2.97Å; I13-Y75 HydrophobicContact CG1-CD1 4.35Å; I13-Y75 HydrophobicContact CG2-CD1 4.1Å; L14-Y75 PolarHBondContact N-O 3.35Å; V19-Y75 HydrophobicContact CG1-CE1 4.43Å; V19-Y75 WeakPolarHBondContact CG1-OH 3.5Å; F23-Y75 HydrophobicContact CB-CD1 4.35Å; F23-Y75 HydrophobicContact CB-CE1 3.79Å; F23-Y75 AromaticContact CD1-CD1 3.45Å; F23-Y75 HydrophobicContact CD1-CD1 3.45Å; F23-Y75 VanDerWaalsContact CD1-CD1 3.45Å; F23-Y75 AromaticContact CD1-CE1 3.79Å; F23-Y75 HydrophobicContact CD1-CE1 3.79Å; F23-Y75 HydrophobicContact CD1-CG 4.04Å; F23-Y75 HydrophobicContact CD2-CD1 4.02Å; F23-Y75 HydrophobicContact CD2-CD2 4.24Å; F23-Y75 AromaticContact CD2-CE1 3.86Å; F23-Y75 HydrophobicContact CD2-CE1 3.86Å; F23-Y75 HydrophobicContact CD2-CE2 4.08Å; F23-Y75 HydrophobicContact CD2-CG 4.21Å; F23-Y75 AromaticContact CD2-CZ 3.89Å; F23-Y75 AromaticContact CE1-CD1 3.64Å; F23-Y75 HydrophobicContact CE1-CD1 3.64Å; F23-Y75 HydrophobicContact CE1-CE1 4.36Å; F23-Y75 AromaticContact CE1-CG 3.76Å; F23-Y75 HydrophobicContact CE1-CG 3.76Å; F23-Y75 HydrophobicContact CE2-CD1 4.2Å; F23-Y75 AromaticContact CE2-CD2 3.96Å; F23-Y75 HydrophobicContact CE2-CD2 3.96Å; F23-Y75 HydrophobicContact CE2-CE1 4.43Å; F23-Y75 HydrophobicContact CE2-CE2 4.2Å; F23-Y75 AromaticContact CE2-CG 3.95Å; F23-Y75 HydrophobicContact CE2-CG 3.95Å; F23-Y75 AromaticContact CG-CD1 3.65Å; F23-Y75 HydrophobicContact CG-CD1 3.65Å; F23-Y75 AromaticContact CG-CE1 3.51Å; F23-Y75 HydrophobicContact CG-CE1 3.51Å; F23-Y75 HydrophobicContact CG-CG 4.25Å; F23-Y75 AromaticContact CG-CZ 4Å; F23-Y75 HydrophobicContact CZ-CD1 4.02Å; F23-Y75 HydrophobicContact CZ-CD2 4.15Å; F23-Y75 AromaticContact CZ-CG 3.72Å; F23-Y75 HydrophobicContact CZ-CG 3.72Å; Y75-A77 HydrophobicContact CD1-CB 4.17Å; Y75-A77 HydrophobicContact CE1-CB 3.58Å; Y75-L98 CarbonylContact C-O 3.57Å; Y75-L98 WeakPolarHBondContact CA-O 3.41Å; Y75-L98 HydrophobicContact CD2-CB 4.35Å; Y75-L98 HydrophobicContact CD2-CD2 3.93Å; Y75-L98 HydrophobicContact CD2-CG 3.96Å; Y75-L98 HydrophobicContact CE2-CD2 4.5Å; Y75-E100 HydrophobicContact CE2-CG 3.7Å; Y75-E100 VanDerWaalsContact OH-CG 3.3Å; Y75-E100 WeakPolarHBondContact OH-CG 3.33Å; Y75-E100 PolarHBondContact OH-OE1 2.95Å; Y75-A127 HydrophobicContact CE2-CB 4.26Å
76V98.8Very high97.6Very high0 Ų036.6 Ų36.60%018%0.178CC..EExtended strand (participates in β ladder)trans-100.1103.7-176.5-1790000108.9L14 V74 V78 A86 V97 L98 L99 E100L14-V76 HydrophobicContact CD1-CG2 4.18Å; V74-V76 HydrophobicContact CG1-CG2 3.79Å; V76-V78 HydrophobicContact CG1-CG2 3.98Å; V76-A86 HydrophobicContact CG1-CB 3.61Å; V76-V97 HydrophobicContact CG2-CG1 3.97Å; V76-L98 PolarHBondContact N-O 2.91Å; V76-L99 HydrophobicContact CB-CD1 3.47Å; V76-L99 VanDerWaalsContact CB-CD1 3.47Å; V76-L99 HydrophobicContact CG1-CD1 3.38Å; V76-L99 HydrophobicContact CG2-CD1 4.27Å; V76-E100 WeakPolarHBondContact O-CB 3.41Å; V76-E100 PolarHBondContact O-N 3.46Å
77A97Very high97.6Very high4 Ų436.6 Ų36.63%0.03318%0.178CC..  trans-119.333.7-179.900000112.4L14 S15 A17 V19 Y75 E100L14-A77 PolarHBondContact O-N 3.41Å; S15-A77 VanDerWaalsContact OG-C 3.31Å; S15-A77 PolarHBondContact OG-O 3.24Å; A17-A77 HydrophobicContact CB-CB 4.4Å; A17-A77 VanDerWaalsContact CB-O 3.27Å; A17-A77 WeakPolarHBondContact CB-O 3.39Å; V19-A77 HydrophobicContact CG1-CB 3.91Å; Y75-A77 HydrophobicContact CD1-CB 4.17Å; Y75-A77 HydrophobicContact CE1-CB 3.58Å; A77-E100 HydrophobicContact CB-CG 4.09Å
78V96.1Very high97.6Very high12 Ų1233.3 Ų33.37%0.07316%0.161CC..SBendtrans-71.2178.2176.1-58.40000110.5L14 Y62 V76 G82 H83 A86L14-V78 HydrophobicContact CB-CG1 4.26Å; Y62-V78 HydrophobicContact CE2-CG1 3.78Å; V76-V78 HydrophobicContact CG1-CG2 3.98Å; V78-G82 VanDerWaalsContact CG2-C 3.43Å; V78-G82 WeakPolarHBondContact CG2-O 3.43Å; V78-H83 PolarHBondContact O-NE2 3.41Å; V78-A86 HydrophobicContact CG1-CB 4.41Å; V78-A86 HydrophobicContact CG2-CB 4Å
79Y93.3Very high97.6Very high78 Ų7834.7 Ų34.731%0.30617%0.168SC..  trans-66151.5173.171-72000110.7K81 G82 H83 A174Y79-K81 HydrophobicContact CD2-CB 4.12Å; Y79-K81 HydrophobicContact CE2-CB 3.68Å; Y79-K81 HydrophobicContact CE2-CG 4.19Å; Y79-K81 PolarHBondContact O-N 2.58Å; Y79-K81 VanDerWaalsContact O-N 3.13Å; Y79-G82 WeakPolarHBondContact O-CA 3.46Å; Y79-G82 PolarHBondContact O-N 3.06Å; Y79-H83 PolarHBondContact O-CD2 3.31Å; Y79-A174 WeakPolarHBondContact CD2-O 3.2Å
80N95.6Very high97.7Very high11 Ų1126.6 Ų26.66%0.05913%0.13CC..G310 helixtrans-47.3-49.2-167.9-64-2.7000114.7G82 H83 P102 M105 W168 G175N80-G82 PolarHBondContact O-N 2.82Å; N80-H83 VanDerWaalsContact O-CB 3.3Å; N80-H83 WeakPolarHBondContact O-CB 3.25Å; N80-H83 VanDerWaalsContact O-CG 3.3Å; N80-H83 PolarHBondContact O-N 2.97Å; N80-P102 HydrophobicContact CB-CG 4.11Å; N80-P102 WeakPolarHBondContact OD1-CD 3.42Å; N80-M105 HydrophobicContact CB-SD 4.02Å; N80-W168 HydrophobicContact CB-CZ3 4.38Å; N80-W168 WeakPolarHBondContact OD1-CH2 3.37Å; N80-G175 PolarHBondContact ND2-O 2.83Å
81K94.9Very high97.8Very high108 Ų10823.4 Ų23.447%0.4711%0.113SC..G310 helixtrans-65.2-25.5179.9169.1172.2178.8-176.50113.7Y79 H83 S173 A174Y79-K81 HydrophobicContact CD2-CB 4.12Å; Y79-K81 HydrophobicContact CE2-CB 3.68Å; Y79-K81 HydrophobicContact CE2-CG 4.19Å; Y79-K81 PolarHBondContact O-N 2.58Å; Y79-K81 VanDerWaalsContact O-N 3.13Å; K81-H83 VanDerWaalsContact C-N 3.31Å; K81-S173 WeakPolarHBondContact CD-O 3.35Å; K81-S173 PolarHBondContact NZ-O 3.26Å; K81-A174 WeakPolarHBondContact CB-O 3.42Å; K81-A174 PolarHBondContact N-O 3.09Å
82G96.7Very high97.9Very high7 Ų727.2 Ų27.27%0.07213%0.133CC..G310 helixtrans-79.6-8.4177.500000114.6V78 Y79 N80 Y84 D85 A86V78-G82 VanDerWaalsContact CG2-C 3.43Å; V78-G82 WeakPolarHBondContact CG2-O 3.43Å; Y79-G82 WeakPolarHBondContact O-CA 3.46Å; Y79-G82 PolarHBondContact O-N 3.06Å; N80-G82 PolarHBondContact O-N 2.82Å; G82-Y84 PolarHBondContact O-N 3.15Å; G82-D85 PolarHBondContact O-N 2.75Å; G82-A86 VanDerWaalsContact O-CB 3.3Å; G82-A86 WeakPolarHBondContact O-CB 3.44Å; G82-A86 PolarHBondContact O-N 3.25Å
83H98.1Very high97.9Very high2 Ų227.8 Ų27.81%0.00914%0.136CC..Hα-helixtrans-56.4-50.5-176-77.5-169.4000112.6V78 Y79 N80 K81 A86 A87 L99 E100 P102 F103V78-H83 PolarHBondContact O-NE2 3.41Å; Y79-H83 PolarHBondContact O-CD2 3.31Å; N80-H83 VanDerWaalsContact O-CB 3.3Å; N80-H83 WeakPolarHBondContact O-CB 3.25Å; N80-H83 VanDerWaalsContact O-CG 3.3Å; N80-H83 PolarHBondContact O-N 2.97Å; K81-H83 VanDerWaalsContact C-N 3.31Å; H83-A86 PolarHBondContact O-N 2.99Å; H83-A87 VanDerWaalsContact O-CB 3.25Å; H83-A87 WeakPolarHBondContact O-CB 3.28Å; H83-A87 PolarHBondContact O-N 3.03Å; H83-L99 HydrophobicContact CB-CD1 3.81Å; H83-L99 HydrophobicContact CB-CD2 4.36Å; H83-L99 HydrophobicContact CB-CG 4.41Å; H83-E100 PolarHBondContact CE1-O 3.44Å; H83-E100 PolarHBondContact ND1-O 3.31Å; H83-P102 PolarHBondContact CE1-O 2.75Å; H83-P102 PolarHBondContact ND1-O 2.84Å; H83-F103 WeakPolarHBondContact CB-O 3.49Å
84Y98.8Very high97.9Very high30 Ų3032.9 Ų32.912%0.11816%0.163CC..Hα-helixtrans-59-51.7-178.2166.9-100.4000112.3G82 A86 A87 K88 Q109 E112 L113G82-Y84 PolarHBondContact O-N 3.15Å; Y84-A86 PolarHBondContact O-N 2.89Å; Y84-A87 PolarHBondContact O-N 2.75Å; Y84-K88 HydrophobicContact CE1-CD 4.24Å; Y84-K88 HydrophobicContact CE2-CD 4.26Å; Y84-K88 WeakPolarHBondContact O-CB 3.46Å; Y84-K88 PolarHBondContact O-N 3.05Å; Y84-K88 PolarHBondContact OH-NZ 3.44Å; Y84-Q109 HydrophobicContact CD1-CG 4.3Å; Y84-Q109 HydrophobicContact CD2-CB 3.57Å; Y84-Q109 HydrophobicContact CD2-CG 3.66Å; Y84-Q109 HydrophobicContact CE2-CB 4.14Å; Y84-Q109 HydrophobicContact CE2-CG 4.05Å; Y84-Q109 HydrophobicContact CG-CB 4.05Å; Y84-Q109 HydrophobicContact CG-CG 3.78Å; Y84-E112 HydrophobicContact CE2-CB 4.38Å; Y84-E112 WeakPolarHBondContact CE2-OE2 3.41Å; Y84-E112 PolarHBondContact OH-OE1 3.17Å; Y84-E112 PolarHBondContact OH-OE2 3.48Å; Y84-L113 HydrophobicContact CD2-CD1 4.33Å; Y84-L113 HydrophobicContact CD2-CD2 4.09Å; Y84-L113 HydrophobicContact CD2-CG 3.99Å; Y84-L113 HydrophobicContact CE2-CD2 4.39Å; Y84-L113 HydrophobicContact CE2-CG 4.45Å
85D98.7Very high97.9Very high104 Ų10434.1 Ų34.156%0.55617%0.169SC*.Hα-helixtrans-64.9-41.4-177.6-65.4-35.8000111.7G82 L89G82-D85 PolarHBondContact O-N 2.75Å; D85-L89 VanDerWaalsContact O-CB 3.32Å; D85-L89 WeakPolarHBondContact O-CB 3.23Å; D85-L89 PolarHBondContact O-N 3.5Å
86A98.7Very high97.9Very high6 Ų636.5 Ų36.55%0.0518%0.18CC..Hα-helixtrans-69.4-42.7-179.500000112.5L14 V76 V78 G82 H83 Y84 L89 A90L14-A86 HydrophobicContact CD1-CB 4.06Å; V76-A86 HydrophobicContact CG1-CB 3.61Å; V78-A86 HydrophobicContact CG1-CB 4.41Å; V78-A86 HydrophobicContact CG2-CB 4Å; G82-A86 VanDerWaalsContact O-CB 3.3Å; G82-A86 WeakPolarHBondContact O-CB 3.44Å; G82-A86 PolarHBondContact O-N 3.25Å; H83-A86 PolarHBondContact O-N 2.99Å; Y84-A86 PolarHBondContact O-N 2.89Å; A86-L89 PolarHBondContact O-N 2.85Å; A86-A90 PolarHBondContact O-N 3.23Å; A86-A90 VanDerWaalsContact O-N 3.1Å
87A98.9Very high97.9Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-64.8-44.9175.200000111.3H83 Y84 L89 A90 L91 V97 L99 L113H83-A87 VanDerWaalsContact O-CB 3.25Å; H83-A87 WeakPolarHBondContact O-CB 3.28Å; H83-A87 PolarHBondContact O-N 3.03Å; Y84-A87 PolarHBondContact O-N 2.75Å; A87-L89 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 2.9Å; A87-A90 PolarHBondContact O-N 3.5Å; A87-L91 WeakPolarHBondContact O-CG 3.38Å; A87-L91 PolarHBondContact O-N 3.24Å; A87-V97 HydrophobicContact CB-CG1 4.1Å; A87-L99 HydrophobicContact CB-CD1 4.15Å; A87-L99 HydrophobicContact CB-CD2 3.74Å; A87-L99 HydrophobicContact CB-CG 4.48Å; A87-L113 HydrophobicContact CB-CD1 3.86Å; A87-L113 HydrophobicContact CB-CD2 3.92Å
88K98.9Very high98Very high59 Ų5936.3 Ų36.326%0.25718%0.178SC..Hα-helixtrans-59.6-43.5176.1-176.8168.1176.2170.50111.6Y84 A90 L91 L92 E112 L113 L116Y84-K88 HydrophobicContact CE1-CD 4.24Å; Y84-K88 HydrophobicContact CE2-CD 4.26Å; Y84-K88 WeakPolarHBondContact O-CB 3.46Å; Y84-K88 PolarHBondContact O-N 3.05Å; Y84-K88 PolarHBondContact OH-NZ 3.44Å; K88-A90 PolarHBondContact O-N 3.03Å; K88-L91 PolarHBondContact O-N 3.49Å; K88-L92 HydrophobicContact CG-CD1 3.99Å; K88-L92 HydrophobicContact CG-CG 4.38Å; K88-L92 WeakPolarHBondContact O-CB 3.35Å; K88-L92 VanDerWaalsContact O-CG 3.25Å; K88-L92 WeakPolarHBondContact O-CG 3.43Å; K88-L92 PolarHBondContact O-N 3.41Å; K88-E112 WeakPolarHBondContact CE-OE1 3.33Å; K88-E112 IonicContact NZ-OE1 2.67Å; K88-E112 PolarHBondContact NZ-OE1 3.03Å; K88-L113 HydrophobicContact CB-CD2 3.87Å; K88-L116 HydrophobicContact CG-CD2 3.98Å
89L98.9Very high98.1Very high38 Ų3835.7 Ų35.720%0.19918%0.175CC..Hα-helixtrans-57.7-47175174.764.5000111.9E63 C66 D85 A86 A87 L92 N93E63-L89 HydrophobicContact CG-CD1 4.15Å; E63-L89 HydrophobicContact CG-CD2 4.07Å; C66-L89 HydrophobicContact CB-CG 4.34Å; D85-L89 VanDerWaalsContact O-CB 3.32Å; D85-L89 WeakPolarHBondContact O-CB 3.23Å; D85-L89 PolarHBondContact O-N 3.5Å; A86-L89 PolarHBondContact O-N 2.85Å; A87-L89 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 2.9Å; L89-L92 PolarHBondContact O-N 2.94Å; L89-N93 PolarHBondContact O-N 2.8Å; L89-N93 PolarHBondContact O-ND2 3.21Å
90A98.9Very high98.3Very high0 Ų032.9 Ų32.90%016%0.164CC..Hα-helixtrans-63.5-46.6178.700000111.9V74 A86 A87 K88 L92 N93 N94 K95 V97V74-A90 HydrophobicContact CB-CB 3.98Å; V74-A90 HydrophobicContact CG1-CB 4.2Å; V74-A90 HydrophobicContact CG2-CB 4.02Å; A86-A90 PolarHBondContact O-N 3.23Å; A86-A90 VanDerWaalsContact O-N 3.1Å; A87-A90 PolarHBondContact O-N 3.5Å; K88-A90 PolarHBondContact O-N 3.03Å; A90-L92 PolarHBondContact O-N 3.31Å; A90-N93 CarbonylContact O-C 3.46Å; A90-N93 PolarHBondContact O-N 2.93Å; A90-N93 VanDerWaalsContact O-N 3.1Å; A90-N94 PolarHBondContact O-N 3.28Å; A90-K95 HydrophobicContact CB-CB 4.29Å; A90-K95 WeakPolarHBondContact O-CB 3.38Å; A90-K95 PolarHBondContact O-N 3.33Å; A90-V97 HydrophobicContact CB-CG2 3.59Å
91L98.9Very high98.4Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-61.2-41.7177.4-68.4171.3000112.1A87 K88 N93 N94 V97 L113 L116 A117 L122 L124A87-L91 WeakPolarHBondContact O-CG 3.38Å; A87-L91 PolarHBondContact O-N 3.24Å; K88-L91 PolarHBondContact O-N 3.49Å; L91-N93 PolarHBondContact O-N 3.49Å; L91-N94 PolarHBondContact O-N 3.03Å; L91-V97 HydrophobicContact CD2-CB 4.38Å; L91-V97 HydrophobicContact CD2-CG2 3.84Å; L91-V97 HydrophobicContact CG-CG2 3.87Å; L91-L113 HydrophobicContact CD1-CB 4.47Å; L91-L113 HydrophobicContact CD1-CD2 4.06Å; L91-L116 HydrophobicContact CB-CD2 3.74Å; L91-L116 HydrophobicContact CB-CG 4.04Å; L91-L116 HydrophobicContact CD1-CB 4.45Å; L91-L116 HydrophobicContact CD1-CD2 4.09Å; L91-L116 HydrophobicContact CD1-CG 4.28Å; L91-A117 HydrophobicContact CD1-CB 4.19Å; L91-A117 HydrophobicContact CD2-CB 3.83Å; L91-L122 HydrophobicContact CB-CD1 4.38Å; L91-L122 HydrophobicContact CD2-CB 4.07Å; L91-L122 HydrophobicContact CD2-CD1 3.82Å; L91-L122 WeakPolarHBondContact O-CD1 3.24Å; L91-L124 HydrophobicContact CD1-CD2 4.41Å
92L98.8Very high98.4Very high81 Ų8129 Ų2942%0.42415%0.147SC..Hα-helixtrans-64.9-23.2176.8-73.6174.3000113.2K88 L89 A90 N94 L116K88-L92 HydrophobicContact CG-CD1 3.99Å; K88-L92 HydrophobicContact CG-CG 4.38Å; K88-L92 WeakPolarHBondContact O-CB 3.35Å; K88-L92 VanDerWaalsContact O-CG 3.25Å; K88-L92 WeakPolarHBondContact O-CG 3.43Å; K88-L92 PolarHBondContact O-N 3.41Å; L89-L92 PolarHBondContact O-N 2.94Å; A90-L92 PolarHBondContact O-N 3.31Å; L92-N94 VanDerWaalsContact C-N 3.34Å; L92-L116 HydrophobicContact CD2-CD1 4.06Å; L92-L116 HydrophobicContact CD2-CD2 4.2Å; L92-L116 HydrophobicContact CG-CD2 4.14Å
93N98.8Very high98.5Very high44 Ų4428.7 Ų28.724%0.23514%0.144CC..THydrogen-bonded Turntrans-97.322.8173.5-71.1-89.8000112.7C66 Q67 L89 A90 L91 K95C66-N93 HydrophobicContact CB-CB 3.96Å; C66-N93 VanDerWaalsContact O-CB 3.26Å; C66-N93 WeakPolarHBondContact O-CB 3.19Å; Q67-N93 WeakPolarHBondContact CG-OD1 3.35Å; L89-N93 PolarHBondContact O-N 2.8Å; L89-N93 PolarHBondContact O-ND2 3.21Å; A90-N93 CarbonylContact O-C 3.46Å; A90-N93 PolarHBondContact O-N 2.93Å; A90-N93 VanDerWaalsContact O-N 3.1Å; L91-N93 PolarHBondContact O-N 3.49Å; N93-K95 VanDerWaalsContact C-N 3.33Å; N93-K95 PolarHBondContact O-N 3.29Å
94N98.6Very high98.5Very high107 Ų10728.9 Ų28.957%0.57215%0.145SC*.THydrogen-bonded Turntrans59.337.3176-55.6-59.7000114.2A90 L91 L92A90-N94 PolarHBondContact O-N 3.28Å; L91-N94 PolarHBondContact O-N 3.03Å; L92-N94 VanDerWaalsContact C-N 3.34Å
95K98.8Very high98.4Very high25 Ų2529 Ų2911%0.10915%0.147CC..  trans-103.8138.7173.7-53.4-55.2-179.9-175.70110.9C66 S68 V71 V74 A90 N93 L122C66-K95 WeakPolarHBondContact O-CE 3.48Å; S68-K95 WeakPolarHBondContact O-CE 3.3Å; S68-K95 PolarHBondContact O-NZ 2.85Å; V71-K95 HydrophobicContact CG1-CD 4.42Å; V71-K95 WeakPolarHBondContact O-CD 3.39Å; V71-K95 WeakPolarHBondContact O-CE 3.37Å; V71-K95 PolarHBondContact O-NZ 3.26Å; V74-K95 HydrophobicContact CG2-CB 3.77Å; V74-K95 HydrophobicContact CG2-CG 3.97Å; A90-K95 HydrophobicContact CB-CB 4.29Å; A90-K95 WeakPolarHBondContact O-CB 3.38Å; A90-K95 PolarHBondContact O-N 3.33Å; N93-K95 VanDerWaalsContact C-N 3.33Å; N93-K95 PolarHBondContact O-N 3.29Å; K95-L122 WeakPolarHBondContact O-CD1 3.34Å
96H98.9Very high98.4Very high50 Ų5026 Ų2623%0.23113%0.133CC..EExtended strand (participates in β ladder)trans-61.4155.3163.2-58.1-51.6000109.5D72 I73 V74 F123 L293D72-H96 PolarHBondContact O-CD2 3.45Å; D72-H96 PolarHBondContact O-N 3.43Å; I73-H96 CarbonylContact C-O 3.57Å; I73-H96 WeakPolarHBondContact CA-O 3.25Å; I73-H96 HydrophobicContact CB-CB 3.83Å; I73-H96 HydrophobicContact CD1-CB 4.08Å; I73-H96 HydrophobicContact CG1-CB 3.83Å; V74-H96 PolarHBondContact N-O 3.3Å; H96-F123 WeakPolarHBondContact CA-O 3.41Å; H96-F123 HydrophobicContact CB-CB 4.14Å; H96-F123 PolarHBondContact ND1-N 3.34Å; H96-L293 HydrophobicContact CB-CD2 4.03Å; H96-L293 WeakPolarHBondContact CD2-CD2 3.37Å
97V99Very high98.4Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-133.4129.3-176.3175.60000111.6V74 V76 A87 A90 L91 L99 F123 L124 M125V74-V97 WeakPolarHBondContact O-CA 3.37Å; V76-V97 HydrophobicContact CG2-CG1 3.97Å; A87-V97 HydrophobicContact CB-CG1 4.1Å; A90-V97 HydrophobicContact CB-CG2 3.59Å; L91-V97 HydrophobicContact CD2-CB 4.38Å; L91-V97 HydrophobicContact CD2-CG2 3.84Å; L91-V97 HydrophobicContact CG-CG2 3.87Å; V97-L99 HydrophobicContact CG1-CB 4.01Å; V97-F123 PolarHBondContact N-O 2.94Å; V97-L124 HydrophobicContact CB-CD1 3.68Å; V97-L124 HydrophobicContact CG1-CD1 3.7Å; V97-L124 WeakPolarHBondContact O-CA 3.34Å; V97-M125 PolarHBondContact O-N 2.93Å; V97-M125 VanDerWaalsContact O-N 3.08Å
98L98.9Very high98.4Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-108.8108.1162.2178.862.5000107.4F23 I73 V74 Y75 V76 M125 A127 V289F23-L98 HydrophobicContact CE2-CD2 3.82Å; F23-L98 HydrophobicContact CZ-CD2 4.22Å; I73-L98 HydrophobicContact CD1-CB 4.18Å; V74-L98 PolarHBondContact O-N 3.35Å; Y75-L98 CarbonylContact C-O 3.57Å; Y75-L98 WeakPolarHBondContact CA-O 3.41Å; Y75-L98 HydrophobicContact CD2-CB 4.35Å; Y75-L98 HydrophobicContact CD2-CD2 3.93Å; Y75-L98 HydrophobicContact CD2-CG 3.96Å; Y75-L98 HydrophobicContact CE2-CD2 4.5Å; V76-L98 PolarHBondContact N-O 2.91Å; L98-M125 HydrophobicContact CD1-CB 4.34Å; L98-M125 HydrophobicContact CD1-CE 3.46Å; L98-M125 VanDerWaalsContact CD1-CE 3.46Å; L98-A127 HydrophobicContact CD1-CB 3.77Å; L98-A127 HydrophobicContact CG-CB 3.96Å; L98-V289 HydrophobicContact CD1-CG2 4.21Å; L98-V289 HydrophobicContact CD2-CG2 4.49Å
99L98.8Very high98.4Very high0 Ų030.4 Ų30.40%017%0.166CC..EExtended strand (participates in β ladder)trans-104.8121.6-170.8-179.355.7000111.1V76 H83 A87 V97 F103 L113 M125 E126 A127V76-L99 HydrophobicContact CB-CD1 3.47Å; V76-L99 VanDerWaalsContact CB-CD1 3.47Å; V76-L99 HydrophobicContact CG1-CD1 3.38Å; V76-L99 HydrophobicContact CG2-CD1 4.27Å; H83-L99 HydrophobicContact CB-CD1 3.81Å; H83-L99 HydrophobicContact CB-CD2 4.36Å; H83-L99 HydrophobicContact CB-CG 4.41Å; A87-L99 HydrophobicContact CB-CD1 4.15Å; A87-L99 HydrophobicContact CB-CD2 3.74Å; A87-L99 HydrophobicContact CB-CG 4.48Å; V97-L99 HydrophobicContact CG1-CB 4.01Å; L99-F103 HydrophobicContact CB-CD2 3.89Å; L99-F103 HydrophobicContact CB-CE2 3.74Å; L99-F103 HydrophobicContact CD2-CD1 4.41Å; L99-F103 HydrophobicContact CD2-CD2 3.66Å; L99-F103 HydrophobicContact CD2-CE1 4.39Å; L99-F103 HydrophobicContact CD2-CE2 3.67Å; L99-F103 HydrophobicContact CD2-CG 4.08Å; L99-F103 HydrophobicContact CD2-CZ 4.05Å; L99-F103 WeakPolarHBondContact CD2-O 3.49Å; L99-F103 HydrophobicContact CG-CD2 3.91Å; L99-F103 HydrophobicContact CG-CE2 4.11Å; L99-L113 HydrophobicContact CD2-CD1 3.85Å; L99-M125 PolarHBondContact N-O 2.75Å; L99-E126 CarbonylContact O-C 3.43Å; L99-E126 WeakPolarHBondContact O-CA 3.39Å; L99-A127 PolarHBondContact O-N 3.03Å
100E98.1Very high98.4Very high18 Ų1828.6 Ų28.68%0.08416%0.156CC..EExtended strand (participates in β ladder)trans-55.2152.7175.4-93.3-66.7155.300113.3Y75 V76 A77 H83Y75-E100 HydrophobicContact CE2-CG 3.7Å; Y75-E100 VanDerWaalsContact OH-CG 3.3Å; Y75-E100 WeakPolarHBondContact OH-CG 3.33Å; Y75-E100 PolarHBondContact OH-OE1 2.95Å; V76-E100 WeakPolarHBondContact O-CB 3.41Å; V76-E100 PolarHBondContact O-N 3.46Å; A77-E100 HydrophobicContact CB-CG 4.09Å; H83-E100 PolarHBondContact CE1-O 3.44Å; H83-E100 PolarHBondContact ND1-O 3.31Å
101K96.5Very high98.3Very high34 Ų3433.2 Ų33.215%0.14818%0.178CC..SBendtrans-83.4150172.857.376.9-132.4172.40111.2E126 A127 G181 Y185K101-E126 HydrophobicContact CB-CG 4.13Å; K101-E126 VanDerWaalsContact CB-OE1 3.25Å; K101-E126 WeakPolarHBondContact CB-OE1 3.47Å; K101-A127 WeakPolarHBondContact CG-O 3.39Å; K101-G181 PolarHBondContact NZ-O 3.38Å; K101-Y185 HydrophobicContact CD-CD2 3.89Å; K101-Y185 HydrophobicContact CD-CE2 3.69Å; K101-Y185 HydrophobicContact CG-CE2 4.32Å
102P96.8Very high98.3Very high4 Ų436.9 Ų36.93%0.02620%0.195CC..SBendcis-68.3130.5-3.129.9-33.8000110.3N80 H83 T104 R180 T184N80-P102 HydrophobicContact CB-CG 4.11Å; N80-P102 WeakPolarHBondContact OD1-CD 3.42Å; H83-P102 PolarHBondContact CE1-O 2.75Å; H83-P102 PolarHBondContact ND1-O 2.84Å; P102-T104 VanDerWaalsContact C-N 3.32Å; P102-T104 PolarHBondContact O-N 3.02Å; P102-R180 WeakPolarHBondContact CD-O 3.47Å; P102-R180 HydrophobicContact CG-CB 4.32Å; P102-R180 WeakPolarHBondContact CG-O 3.45Å; P102-T184 HydrophobicContact CB-CG2 4.1Å
103F98.4Very high98.4Very high0 Ų033 Ų330%018%0.175CC..  trans-49.8-49.8-169-170.1-109.7000113.7H83 L99 A110 L113 F114 L124 E126 T308 V312H83-F103 WeakPolarHBondContact CB-O 3.49Å; L99-F103 HydrophobicContact CB-CD2 3.89Å; L99-F103 HydrophobicContact CB-CE2 3.74Å; L99-F103 HydrophobicContact CD2-CD1 4.41Å; L99-F103 HydrophobicContact CD2-CD2 3.66Å; L99-F103 HydrophobicContact CD2-CE1 4.39Å; L99-F103 HydrophobicContact CD2-CE2 3.67Å; L99-F103 HydrophobicContact CD2-CG 4.08Å; L99-F103 HydrophobicContact CD2-CZ 4.05Å; L99-F103 WeakPolarHBondContact CD2-O 3.49Å; L99-F103 HydrophobicContact CG-CD2 3.91Å; L99-F103 HydrophobicContact CG-CE2 4.11Å; F103-A110 HydrophobicContact CD1-CB 3.82Å; F103-A110 HydrophobicContact CE1-CB 4.03Å; F103-L113 HydrophobicContact CE1-CD1 4.15Å; F103-L113 HydrophobicContact CZ-CD1 4.46Å; F103-F114 HydrophobicContact CD1-CE2 4.41Å; F103-F114 HydrophobicContact CE1-CD2 4.1Å; F103-F114 AromaticContact CE1-CE2 3.57Å; F103-F114 HydrophobicContact CE1-CE2 3.57Å; F103-F114 HydrophobicContact CE1-CZ 4.18Å; F103-F114 HydrophobicContact CZ-CD2 4.39Å; F103-F114 AromaticContact CZ-CE2 3.72Å; F103-F114 HydrophobicContact CZ-CE2 3.72Å; F103-F114 AromaticContact CZ-CZ 3.86Å; F103-F114 HydrophobicContact CZ-CZ 3.86Å; F103-L124 HydrophobicContact CE2-CD1 4.14Å; F103-L124 HydrophobicContact CE2-CG 4.43Å; F103-L124 HydrophobicContact CZ-CD1 3.95Å; F103-L124 HydrophobicContact CZ-CD2 3.91Å; F103-L124 HydrophobicContact CZ-CG 3.95Å; F103-E126 HydrophobicContact CB-CB 4.45Å; F103-E126 HydrophobicContact CB-CG 4.16Å; F103-E126 WeakPolarHBondContact CB-OE1 3.27Å; F103-E126 HydrophobicContact CD2-CB 3.49Å; F103-E126 VanDerWaalsContact CD2-CB 3.49Å; F103-E126 HydrophobicContact CD2-CG 3.96Å; F103-E126 HydrophobicContact CE2-CB 4Å; F103-E126 HydrophobicContact CG-CB 4.28Å; F103-E126 HydrophobicContact CG-CG 4.49Å; F103-E126 PolarHBondContact N-OE1 3.02Å; F103-T308 HydrophobicContact CB-CG2 3.71Å; F103-T308 HydrophobicContact CD1-CG2 3.43Å; F103-T308 VanDerWaalsContact CD1-CG2 3.43Å; F103-T308 HydrophobicContact CD2-CG2 3.97Å; F103-T308 HydrophobicContact CE1-CG2 3.93Å; F103-T308 HydrophobicContact CE2-CG2 4.39Å; F103-T308 HydrophobicContact CG-CG2 3.44Å; F103-T308 VanDerWaalsContact CG-CG2 3.44Å; F103-T308 HydrophobicContact CZ-CG2 4.36Å; F103-V312 HydrophobicContact CB-CG2 4.11Å
104T98.5Very high98.4Very high7 Ų731.2 Ų31.24%0.04317%0.165CC..  trans-148.4170.5171.360.70000110.3P102 T106 Q109 A110 L113P102-T104 VanDerWaalsContact C-N 3.32Å; P102-T104 PolarHBondContact O-N 3.02Å; T104-T106 PolarHBondContact OG1-O 3.41Å; T104-Q109 HydrophobicContact CG2-CB 3.9Å; T104-A110 HydrophobicContact CG2-CB 4.32Å; T104-A110 WeakPolarHBondContact OG1-CB 3.49Å; T104-A110 PolarHBondContact OG1-N 3.43Å; T104-L113 HydrophobicContact CG2-CD1 3.64Å
105M96.3Very high98.4Very high32 Ų3228.8 Ų28.816%0.15816%0.159CC..SBendtrans-82.2-19.8-178.9-58.1-53.2-55.800113.4N80 R180N80-M105 HydrophobicContact CB-SD 4.02Å; M105-R180 HydrophobicContact CE-CG 4.28Å; M105-R180 VanDerWaalsContact CE-NE 3.26Å
106T97.6Very high98.4Very high41 Ų4128.3 Ų28.325%0.25216%0.158SC..SBendtrans-143.9149.5-174.563.80000110.3T104 A108 Q109 A110 V312T104-T106 PolarHBondContact OG1-O 3.41Å; T106-A108 VanDerWaalsContact C-N 3.28Å; T106-A108 PolarHBondContact O-N 2.83Å; T106-Q109 PolarHBondContact O-N 3.31Å; T106-Q109 WeakPolarHBondContact OG1-CB 3.5Å; T106-Q109 VanDerWaalsContact OG1-CG 3.22Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.26Å; T106-Q109 PolarHBondContact OG1-N 2.91Å; T106-Q109 PolarHBondContact OG1-OE1 3.31Å; T106-A110 PolarHBondContact O-N 2.86Å; T106-V312 VanDerWaalsContact C-CG1 3.41Å
107L98.5Very high98.4Very high45 Ų4526 Ų2624%0.23615%0.148CC..Hα-helixtrans-57.9-42.2178.5177.860.8000111.9Q109 A110 E111 L309 V312 A313 E316L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 2.85Å; L107-A110 WeakPolarHBondContact O-CB 3.22Å; L107-A110 PolarHBondContact O-N 3.24Å; L107-A110 VanDerWaalsContact O-N 3.09Å; L107-E111 HydrophobicContact CD1-CG 4.09Å; L107-E111 HydrophobicContact CG-CG 4.21Å; L107-E111 WeakPolarHBondContact O-CG 3.49Å; L107-E111 PolarHBondContact O-N 2.98Å; L107-L309 HydrophobicContact CD1-CB 4.01Å; L107-L309 HydrophobicContact CD1-CD2 3.86Å; L107-L309 HydrophobicContact CD1-CG 4.46Å; L107-L309 WeakPolarHBondContact CD1-O 3.45Å; L107-V312 HydrophobicContact CB-CG1 4.43Å; L107-A313 HydrophobicContact CD1-CB 4.29Å; L107-A313 HydrophobicContact CD2-CB 4.03Å; L107-E316 WeakPolarHBondContact CB-OE2 3.48Å; L107-E316 PolarHBondContact N-OE2 3.48Å
108A98.8Very high98.3Very high65 Ų6533.1 Ų33.154%0.53718%0.179SC..Hα-helixtrans-59-39-179.600000112.7T106 E111 E112T106-A108 VanDerWaalsContact C-N 3.28Å; T106-A108 PolarHBondContact O-N 2.83Å; A108-E111 PolarHBondContact O-N 3.2Å; A108-E112 WeakPolarHBondContact O-CB 3.25Å; A108-E112 PolarHBondContact O-N 2.83Å
109Q98.8Very high98.3Very high48 Ų4839.3 Ų39.322%0.22421%0.208CC..Hα-helixtrans-64.5-44.8174.9-76.1173-22.200111.6Y84 T104 T106 L107 E112 L113Y84-Q109 HydrophobicContact CD1-CG 4.3Å; Y84-Q109 HydrophobicContact CD2-CB 3.57Å; Y84-Q109 HydrophobicContact CD2-CG 3.66Å; Y84-Q109 HydrophobicContact CE2-CB 4.14Å; Y84-Q109 HydrophobicContact CE2-CG 4.05Å; Y84-Q109 HydrophobicContact CG-CB 4.05Å; Y84-Q109 HydrophobicContact CG-CG 3.78Å; T104-Q109 HydrophobicContact CG2-CB 3.9Å; T106-Q109 PolarHBondContact O-N 3.31Å; T106-Q109 WeakPolarHBondContact OG1-CB 3.5Å; T106-Q109 VanDerWaalsContact OG1-CG 3.22Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.26Å; T106-Q109 PolarHBondContact OG1-N 2.91Å; T106-Q109 PolarHBondContact OG1-OE1 3.31Å; L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 2.85Å; Q109-E112 PolarHBondContact O-N 3.48Å; Q109-L113 WeakPolarHBondContact O-CG 3.36Å; Q109-L113 PolarHBondContact O-N 3.44Å; Q109-L113 VanDerWaalsContact O-N 3.07Å
110A98.9Very high98.3Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-61.9-45.6177.300000111.5F103 T104 T106 L107 E112 L113 F114 L309 V312F103-A110 HydrophobicContact CD1-CB 3.82Å; F103-A110 HydrophobicContact CE1-CB 4.03Å; T104-A110 HydrophobicContact CG2-CB 4.32Å; T104-A110 WeakPolarHBondContact OG1-CB 3.49Å; T104-A110 PolarHBondContact OG1-N 3.43Å; T106-A110 PolarHBondContact O-N 2.86Å; L107-A110 WeakPolarHBondContact O-CB 3.22Å; L107-A110 PolarHBondContact O-N 3.24Å; L107-A110 VanDerWaalsContact O-N 3.09Å; A110-E112 VanDerWaalsContact C-N 3.32Å; A110-E112 PolarHBondContact O-N 3.41Å; A110-L113 PolarHBondContact O-N 2.91Å; A110-F114 VanDerWaalsContact O-CD2 3.28Å; A110-F114 WeakPolarHBondContact O-CD2 3.33Å; A110-F114 PolarHBondContact O-N 2.92Å; A110-L309 HydrophobicContact CB-CD2 3.5Å; A110-V312 HydrophobicContact CB-CG1 4.42Å; A110-V312 HydrophobicContact CB-CG2 4.36Å
111E98.9Very high98.3Very high97 Ų9748 Ų4845%0.45325%0.248SC..Hα-helixtrans-59.2-43.2178.2-71.8178.6146.400111.8L107 A108 F114 A115 L309L107-E111 HydrophobicContact CD1-CG 4.09Å; L107-E111 HydrophobicContact CG-CG 4.21Å; L107-E111 WeakPolarHBondContact O-CG 3.49Å; L107-E111 PolarHBondContact O-N 2.98Å; A108-E111 PolarHBondContact O-N 3.2Å; E111-F114 PolarHBondContact O-N 2.78Å; E111-A115 WeakPolarHBondContact O-CB 3.31Å; E111-A115 PolarHBondContact O-N 3.32Å; E111-L309 HydrophobicContact CG-CD1 4.24Å; E111-L309 HydrophobicContact CG-CD2 3.82Å
112E98.9Very high98.4Very high76 Ų7647 Ų4736%0.35524%0.244SC..Hα-helixtrans-62.9-44.2176.6-171.1-173.6159.300112.1Y84 K88 A108 Q109 A110 A115 L116Y84-E112 HydrophobicContact CE2-CB 4.38Å; Y84-E112 WeakPolarHBondContact CE2-OE2 3.41Å; Y84-E112 PolarHBondContact OH-OE1 3.17Å; Y84-E112 PolarHBondContact OH-OE2 3.48Å; K88-E112 WeakPolarHBondContact CE-OE1 3.33Å; K88-E112 IonicContact NZ-OE1 2.67Å; K88-E112 PolarHBondContact NZ-OE1 3.03Å; A108-E112 WeakPolarHBondContact O-CB 3.25Å; A108-E112 PolarHBondContact O-N 2.83Å; Q109-E112 PolarHBondContact O-N 3.48Å; A110-E112 VanDerWaalsContact C-N 3.32Å; A110-E112 PolarHBondContact O-N 3.41Å; E112-A115 PolarHBondContact O-N 3.33Å; E112-L116 WeakPolarHBondContact O-CB 3.35Å; E112-L116 PolarHBondContact O-N 2.93Å
113L98.9Very high98.5Very high1 Ų146.8 Ų46.81%0.00524%0.243CC..Hα-helixtrans-62.1-45.4178.3-69.7178.2000111.8Y84 A87 K88 L91 L99 F103 T104 Q109 A110 A115 L116 A117 L124Y84-L113 HydrophobicContact CD2-CD1 4.33Å; Y84-L113 HydrophobicContact CD2-CD2 4.09Å; Y84-L113 HydrophobicContact CD2-CG 3.99Å; Y84-L113 HydrophobicContact CE2-CD2 4.39Å; Y84-L113 HydrophobicContact CE2-CG 4.45Å; A87-L113 HydrophobicContact CB-CD1 3.86Å; A87-L113 HydrophobicContact CB-CD2 3.92Å; K88-L113 HydrophobicContact CB-CD2 3.87Å; L91-L113 HydrophobicContact CD1-CB 4.47Å; L91-L113 HydrophobicContact CD1-CD2 4.06Å; L99-L113 HydrophobicContact CD2-CD1 3.85Å; F103-L113 HydrophobicContact CE1-CD1 4.15Å; F103-L113 HydrophobicContact CZ-CD1 4.46Å; T104-L113 HydrophobicContact CG2-CD1 3.64Å; Q109-L113 WeakPolarHBondContact O-CG 3.36Å; Q109-L113 PolarHBondContact O-N 3.44Å; Q109-L113 VanDerWaalsContact O-N 3.07Å; A110-L113 PolarHBondContact O-N 2.91Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.77Å; L113-L116 PolarHBondContact O-N 2.88Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 3.3Å; L113-L124 HydrophobicContact CB-CD2 3.89Å
114F98.9Very high98.6Very high6 Ų646.9 Ų46.93%0.02624%0.243CC..Hα-helixtrans-65.6-36.5176-80.5-70.1000112.5F103 A110 E111 K118 L124 K305 T308 L309F103-F114 HydrophobicContact CD1-CE2 4.41Å; F103-F114 HydrophobicContact CE1-CD2 4.1Å; F103-F114 AromaticContact CE1-CE2 3.57Å; F103-F114 HydrophobicContact CE1-CE2 3.57Å; F103-F114 HydrophobicContact CE1-CZ 4.18Å; F103-F114 HydrophobicContact CZ-CD2 4.39Å; F103-F114 AromaticContact CZ-CE2 3.72Å; F103-F114 HydrophobicContact CZ-CE2 3.72Å; F103-F114 AromaticContact CZ-CZ 3.86Å; F103-F114 HydrophobicContact CZ-CZ 3.86Å; A110-F114 VanDerWaalsContact O-CD2 3.28Å; A110-F114 WeakPolarHBondContact O-CD2 3.33Å; A110-F114 PolarHBondContact O-N 2.92Å; E111-F114 PolarHBondContact O-N 2.78Å; F114-K118 WeakPolarHBondContact O-CB 3.33Å; F114-K118 PolarHBondContact O-N 3.18Å; F114-L124 HydrophobicContact CD1-CD2 3.82Å; F114-L124 HydrophobicContact CD1-CG 4.31Å; F114-L124 HydrophobicContact CE1-CD2 4.07Å; F114-L124 HydrophobicContact CE1-CG 4.12Å; F114-L124 HydrophobicContact CG-CD2 4.08Å; F114-K305 HydrophobicContact CB-CD 3.86Å; F114-K305 HydrophobicContact CB-CG 4.26Å; F114-K305 HydrophobicContact CD1-CB 3.91Å; F114-K305 HydrophobicContact CD1-CD 3.94Å; F114-K305 HydrophobicContact CD1-CG 3.78Å; F114-K305 HydrophobicContact CD2-CD 4.39Å; F114-K305 HydrophobicContact CD2-CG 3.84Å; F114-K305 HydrophobicContact CE1-CB 3.75Å; F114-K305 HydrophobicContact CE1-CG 4.04Å; F114-K305 HydrophobicContact CE2-CB 4.42Å; F114-K305 HydrophobicContact CE2-CG 4.08Å; F114-K305 HydrophobicContact CG-CB 4.33Å; F114-K305 HydrophobicContact CG-CD 3.82Å; F114-K305 HydrophobicContact CG-CG 3.7Å; F114-K305 HydrophobicContact CZ-CB 4.03Å; F114-K305 HydrophobicContact CZ-CG 4.18Å; F114-T308 HydrophobicContact CE2-CG2 3.86Å; F114-T308 HydrophobicContact CZ-CG2 4.21Å; F114-L309 HydrophobicContact CD2-CD2 4.03Å; F114-L309 HydrophobicContact CD2-CG 4.38Å; F114-L309 HydrophobicContact CE2-CD2 4.33Å
115A98.8Very high98.6Very high55 Ų5546.6 Ų46.646%0.45524%0.242SC..Hα-helixtrans-64-45.9174.700000111.4E111 E112 L113 K118 E119E111-A115 WeakPolarHBondContact O-CB 3.31Å; E111-A115 PolarHBondContact O-N 3.32Å; E112-A115 PolarHBondContact O-N 3.33Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.77Å; A115-K118 PolarHBondContact O-N 3.02Å; A115-E119 WeakPolarHBondContact O-CB 3.34Å; A115-E119 PolarHBondContact O-N 2.97Å
116L98.8Very high98.7Very high15 Ų1545.1 Ų45.18%0.07923%0.234CC..Hα-helixtrans-64-44177.7177.561.5000112.1K88 L91 L92 E112 L113 K118 E119 R120K88-L116 HydrophobicContact CG-CD2 3.98Å; L91-L116 HydrophobicContact CB-CD2 3.74Å; L91-L116 HydrophobicContact CB-CG 4.04Å; L91-L116 HydrophobicContact CD1-CB 4.45Å; L91-L116 HydrophobicContact CD1-CD2 4.09Å; L91-L116 HydrophobicContact CD1-CG 4.28Å; L92-L116 HydrophobicContact CD2-CD1 4.06Å; L92-L116 HydrophobicContact CD2-CD2 4.2Å; L92-L116 HydrophobicContact CG-CD2 4.14Å; E112-L116 WeakPolarHBondContact O-CB 3.35Å; E112-L116 PolarHBondContact O-N 2.93Å; L113-L116 PolarHBondContact O-N 2.88Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 2.92Å; L116-E119 PolarHBondContact O-N 2.94Å; L116-R120 HydrophobicContact CD1-CG 3.95Å; L116-R120 WeakPolarHBondContact O-CB 3.48Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.86Å
117A98.8Very high98.7Very high3 Ų343.2 Ų43.23%0.02522%0.223CC..Hα-helixtrans-60.1-44176.800000111.4L91 L113 R120 N121 L122 L124L91-A117 HydrophobicContact CD1-CB 4.19Å; L91-A117 HydrophobicContact CD2-CB 3.83Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 3.3Å; A117-R120 CarbonylContact O-C 3.58Å; A117-R120 PolarHBondContact O-N 3.42Å; A117-N121 PolarHBondContact O-N 3.06Å; A117-L122 PolarHBondContact O-N 3.29Å; A117-L124 HydrophobicContact CB-CB 3.67Å; A117-L124 HydrophobicContact CB-CD2 3.86Å; A117-L124 HydrophobicContact CB-CG 4.43Å
118K98.6Very high98.7Very high149 Ų14941.1 Ų41.165%0.64821%0.211SC*.Hα-helixtrans-63-45.2174.5-175.8176.8179.7176.90112.3F114 A115 L116 R120 N121F114-K118 WeakPolarHBondContact O-CB 3.33Å; F114-K118 PolarHBondContact O-N 3.18Å; A115-K118 PolarHBondContact O-N 3.02Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 2.92Å; K118-R120 VanDerWaalsContact C-N 3.27Å; K118-R120 PolarHBondContact O-N 3.41Å; K118-N121 PolarHBondContact O-N 3Å; K118-N121 VanDerWaalsContact O-N 3.17Å
119E98.6Very high98.5Very high130 Ų13038.3 Ų38.361%0.60719%0.187SC*.Hα-helixtrans-58.5-40.5177.2-175.1-165140.900111.7A115 L116 N121A115-E119 WeakPolarHBondContact O-CB 3.34Å; A115-E119 PolarHBondContact O-N 2.97Å; L116-E119 PolarHBondContact O-N 2.94Å; E119-N121 VanDerWaalsContact C-N 3.33Å
120R98.4Very high98.5Very high89 Ų8936 Ų3634%0.33618%0.177SC..THydrogen-bonded Turntrans-85.8-1.5-179.5-64.7-81.6179.1-85.6-10.4113.6L116 A117 K118 L122L116-R120 HydrophobicContact CD1-CG 3.95Å; L116-R120 WeakPolarHBondContact O-CB 3.48Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.86Å; A117-R120 CarbonylContact O-C 3.58Å; A117-R120 PolarHBondContact O-N 3.42Å; K118-R120 VanDerWaalsContact C-N 3.27Å; K118-R120 PolarHBondContact O-N 3.41Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 HydrophobicContact CB-CD1 3.47Å; R120-L122 VanDerWaalsContact CB-CD1 3.47Å; R120-L122 HydrophobicContact CB-CG 3.75Å; R120-L122 HydrophobicContact CG-CD1 4.27Å; R120-L122 PolarHBondContact O-N 2.92Å
121N98.5Very high98.4Very high112 Ų11236.4 Ų36.460%0.59918%0.178SC*.THydrogen-bonded Turntrans53.648.3-174-166.668.3000112.5A117 K118 E119 L298A117-N121 PolarHBondContact O-N 3.06Å; K118-N121 PolarHBondContact O-N 3Å; K118-N121 VanDerWaalsContact O-N 3.17Å; E119-N121 VanDerWaalsContact C-N 3.33Å; N121-L298 VanDerWaalsContact C-CD2 3.46Å
122L98.8Very high98.4Very high12 Ų1232.8 Ų32.86%0.06316%0.161CC..  trans-115.4140.3-178.8-62.4167.9000110.9L91 K95 A117 R120L91-L122 HydrophobicContact CB-CD1 4.38Å; L91-L122 HydrophobicContact CD2-CB 4.07Å; L91-L122 HydrophobicContact CD2-CD1 3.82Å; L91-L122 WeakPolarHBondContact O-CD1 3.24Å; K95-L122 WeakPolarHBondContact O-CD1 3.34Å; A117-L122 PolarHBondContact O-N 3.29Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 HydrophobicContact CB-CD1 3.47Å; R120-L122 VanDerWaalsContact CB-CD1 3.47Å; R120-L122 HydrophobicContact CB-CG 3.75Å; R120-L122 HydrophobicContact CG-CD1 4.27Å; R120-L122 PolarHBondContact O-N 2.92Å
123F98.9Very high98.3Very high0 Ų029.2 Ų29.20%014%0.144CC..  trans-61.1132.5164.4-178.1-94.8000112.1I73 H96 V97 M125 V289 C292 L293 L297 L298I73-F123 HydrophobicContact CD1-CD1 4.27Å; H96-F123 WeakPolarHBondContact CA-O 3.41Å; H96-F123 HydrophobicContact CB-CB 4.14Å; H96-F123 PolarHBondContact ND1-N 3.34Å; V97-F123 PolarHBondContact N-O 2.94Å; F123-M125 HydrophobicContact CE1-CB 3.56Å; F123-M125 HydrophobicContact CZ-CB 3.55Å; F123-M125 HydrophobicContact CZ-CG 4.19Å; F123-M125 HydrophobicContact CZ-SD 3.92Å; F123-V289 HydrophobicContact CD1-CG1 4.47Å; F123-V289 HydrophobicContact CE1-CG1 3.84Å; F123-V289 HydrophobicContact CE1-CG2 4.19Å; F123-V289 HydrophobicContact CZ-CG1 4.38Å; F123-V289 HydrophobicContact CZ-CG2 4.27Å; F123-C292 HydrophobicContact CD2-CB 4.02Å; F123-C292 HydrophobicContact CE2-CB 3.51Å; F123-C292 HydrophobicContact CZ-CB 4.11Å; F123-L293 HydrophobicContact CB-CD2 3.56Å; F123-L293 HydrophobicContact CD1-CD2 4.18Å; F123-L293 HydrophobicContact CG-CD2 3.91Å; F123-L297 WeakPolarHBondContact CD2-O 3.46Å; F123-L298 WeakPolarHBondContact CA-O 3.22Å
124L98.9Very high98.2Very high2 Ų230.8 Ų30.81%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-138.1129.7171.7174.164.4000109.4L91 V97 F103 L113 F114 A117 L298L91-L124 HydrophobicContact CD1-CD2 4.41Å; V97-L124 HydrophobicContact CB-CD1 3.68Å; V97-L124 HydrophobicContact CG1-CD1 3.7Å; V97-L124 WeakPolarHBondContact O-CA 3.34Å; F103-L124 HydrophobicContact CE2-CD1 4.14Å; F103-L124 HydrophobicContact CE2-CG 4.43Å; F103-L124 HydrophobicContact CZ-CD1 3.95Å; F103-L124 HydrophobicContact CZ-CD2 3.91Å; F103-L124 HydrophobicContact CZ-CG 3.95Å; L113-L124 HydrophobicContact CB-CD2 3.89Å; F114-L124 HydrophobicContact CD1-CD2 3.82Å; F114-L124 HydrophobicContact CD1-CG 4.31Å; F114-L124 HydrophobicContact CE1-CD2 4.07Å; F114-L124 HydrophobicContact CE1-CG 4.12Å; F114-L124 HydrophobicContact CG-CD2 4.08Å; A117-L124 HydrophobicContact CB-CB 3.67Å; A117-L124 HydrophobicContact CB-CD2 3.86Å; A117-L124 HydrophobicContact CB-CG 4.43Å; L124-L298 PolarHBondContact N-O 2.74Å
125M98.9Very high98.2Very high1 Ų130.5 Ų30.51%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-143.3143.9176.5-163.9-173.585.100110.6V97 L98 L99 F123 F132 E285 V289 S300 V303V97-M125 PolarHBondContact O-N 2.93Å; V97-M125 VanDerWaalsContact O-N 3.08Å; L98-M125 HydrophobicContact CD1-CB 4.34Å; L98-M125 HydrophobicContact CD1-CE 3.46Å; L98-M125 VanDerWaalsContact CD1-CE 3.46Å; L99-M125 PolarHBondContact N-O 2.75Å; F123-M125 HydrophobicContact CE1-CB 3.56Å; F123-M125 HydrophobicContact CZ-CB 3.55Å; F123-M125 HydrophobicContact CZ-CG 4.19Å; F123-M125 HydrophobicContact CZ-SD 3.92Å; M125-F132 HydrophobicContact CE-CE2 4.05Å; M125-F132 HydrophobicContact CE-CZ 3.93Å; M125-F132 HydrophobicContact SD-CZ 4Å; M125-E285 HydrophobicContact CE-CG 3.94Å; M125-V289 HydrophobicContact CE-CG2 3.59Å; M125-V289 HydrophobicContact SD-CG2 4.06Å; M125-S300 WeakPolarHBondContact SD-CB 3.28Å; M125-V303 HydrophobicContact CG-CB 3.9Å; M125-V303 HydrophobicContact CG-CG1 4.15Å; M125-V303 HydrophobicContact SD-CB 4.22Å
126E98.8Very high98.1Very high1 Ų127.9 Ų27.91%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-70.2134.7163.2177.9167.6-15000109.9L99 K101 F103 Q128 V303 T308L99-E126 CarbonylContact O-C 3.43Å; L99-E126 WeakPolarHBondContact O-CA 3.39Å; K101-E126 HydrophobicContact CB-CG 4.13Å; K101-E126 VanDerWaalsContact CB-OE1 3.25Å; K101-E126 WeakPolarHBondContact CB-OE1 3.47Å; F103-E126 HydrophobicContact CB-CB 4.45Å; F103-E126 HydrophobicContact CB-CG 4.16Å; F103-E126 WeakPolarHBondContact CB-OE1 3.27Å; F103-E126 HydrophobicContact CD2-CB 3.49Å; F103-E126 VanDerWaalsContact CD2-CB 3.49Å; F103-E126 HydrophobicContact CD2-CG 3.96Å; F103-E126 HydrophobicContact CE2-CB 4Å; F103-E126 HydrophobicContact CG-CB 4.28Å; F103-E126 HydrophobicContact CG-CG 4.49Å; F103-E126 PolarHBondContact N-OE1 3.02Å; E126-Q128 PolarHBondContact O-N 2.92Å; E126-V303 HydrophobicContact CB-CG1 3.89Å; E126-T308 HydrophobicContact CB-CG2 4.25Å; E126-T308 WeakPolarHBondContact CB-OG1 3.43Å; E126-T308 WeakPolarHBondContact OE2-CB 3.32Å; E126-T308 VanDerWaalsContact OE2-CG2 3.24Å; E126-T308 WeakPolarHBondContact OE2-CG2 3.31Å; E126-T308 PolarHBondContact OE2-OG1 3.3Å
127A98.5Very high98Very high1 Ų133.5 Ų33.51%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-77.2108.2173.600000109Y75 L98 L99 K101 E285Y75-A127 HydrophobicContact CE2-CB 4.26Å; L98-A127 HydrophobicContact CD1-CB 3.77Å; L98-A127 HydrophobicContact CG-CB 3.96Å; L99-A127 PolarHBondContact O-N 3.03Å; K101-A127 WeakPolarHBondContact CG-O 3.39Å; A127-E285 VanDerWaalsContact C-OE1 3.28Å; A127-E285 WeakPolarHBondContact CA-OE1 3.07Å
128Q96.8Very high98Very high0 Ų035.8 Ų35.80%017%0.166CC..  trans-141.270.8-176.8-177.957.9-94.100110.6E126 S130 L131 F132 E188 E285 V303E126-Q128 PolarHBondContact O-N 2.92Å; Q128-S130 PolarHBondContact O-N 2.88Å; Q128-S130 PolarHBondContact OE1-OG 3.41Å; Q128-L131 HydrophobicContact CG-CD1 3.97Å; Q128-L131 HydrophobicContact CG-CG 3.76Å; Q128-L131 PolarHBondContact O-N 2.94Å; Q128-F132 WeakPolarHBondContact O-CD2 3.2Å; Q128-F132 VanDerWaalsContact O-CE2 3.32Å; Q128-F132 WeakPolarHBondContact O-CE2 3.48Å; Q128-E188 WeakPolarHBondContact CG-OE2 3.48Å; Q128-E188 PolarHBondContact NE2-OE2 2.83Å; Q128-E285 PolarHBondContact N-OE1 2.94Å; Q128-V303 HydrophobicContact CB-CG2 3.96Å
129K96.1Very high98Very high7 Ų728.7 Ų28.73%0.0314%0.135CC..G310 helixtrans-53.5-26.9-179.666.4-174.9178.4-171.50116.5L131 F132 Y185 E281 F282 E285K129-L131 PolarHBondContact O-N 2.71Å; K129-F132 PolarHBondContact O-N 2.82Å; K129-Y185 WeakPolarHBondContact CE-OH 3.3Å; K129-Y185 HydrophobicContact CG-CE1 4.25Å; K129-E281 HydrophobicContact CD-CB 4.4Å; K129-E281 HydrophobicContact CD-CG 3.56Å; K129-E281 IonicContact NZ-OE1 3.31Å; K129-E281 PolarHBondContact NZ-OE1 3.45Å; K129-F282 HydrophobicContact CD-CD1 4.35Å; K129-F282 HydrophobicContact CD-CE1 4.14Å; K129-F282 HydrophobicContact CD-CE2 4.31Å; K129-F282 HydrophobicContact CD-CZ 4.11Å; K129-F282 VanDerWaalsContact NZ-CE2 3.27Å; K129-E285 HydrophobicContact CB-CB 4.39Å; K129-E285 PolarHBondContact N-OE1 3.08Å
130S97.4Very high98Very high0 Ų024.4 Ų24.40%012%0.115CC..G310 helixtrans-61.7-29.2-174.666.80000113.2Q128 F132 T136 Y189Q128-S130 PolarHBondContact O-N 2.88Å; Q128-S130 PolarHBondContact OE1-OG 3.41Å; S130-F132 VanDerWaalsContact C-N 3.3Å; S130-T136 PolarHBondContact O-OG1 3.48Å; S130-Y189 WeakPolarHBondContact O-CE2 3.43Å
131L98Very high97.9Very high7 Ų724 Ų244%0.03712%0.117CC..G310 helixtrans-79.6-16.1-178.8-52.1-173.3000112.7Q128 K129 Y189 H192 I302 V303 L307Q128-L131 HydrophobicContact CG-CD1 3.97Å; Q128-L131 HydrophobicContact CG-CG 3.76Å; Q128-L131 PolarHBondContact O-N 2.94Å; K129-L131 PolarHBondContact O-N 2.71Å; L131-Y189 HydrophobicContact CD2-CD2 3.86Å; L131-Y189 HydrophobicContact CD2-CG 4.3Å; L131-H192 HydrophobicContact CD1-CB 4.01Å; L131-H192 HydrophobicContact CD2-CB 3.66Å; L131-H192 HydrophobicContact CG-CB 4.41Å; L131-I302 HydrophobicContact CB-CG2 3.76Å; L131-I302 HydrophobicContact CD1-CG2 4.42Å; L131-V303 HydrophobicContact CD1-CG2 4Å; L131-L307 HydrophobicContact CD1-CD2 3.73Å
132F97.7Very high97.9Very high22 Ų2219.1 Ų19.110%0.0969%0.091CC..THydrogen-bonded Turntrans-98.3-9.4-176.4-57.5-80.8000113.4M125 Q128 K129 S130 F284 E285 H288 I302 V303M125-F132 HydrophobicContact CE-CE2 4.05Å; M125-F132 HydrophobicContact CE-CZ 3.93Å; M125-F132 HydrophobicContact SD-CZ 4Å; Q128-F132 WeakPolarHBondContact O-CD2 3.2Å; Q128-F132 VanDerWaalsContact O-CE2 3.32Å; Q128-F132 WeakPolarHBondContact O-CE2 3.48Å; K129-F132 PolarHBondContact O-N 2.82Å; S130-F132 VanDerWaalsContact C-N 3.3Å; F132-F284 HydrophobicContact CB-CB 3.86Å; F132-F284 VanDerWaalsContact O-CB 3.29Å; F132-F284 WeakPolarHBondContact O-CB 3.19Å; F132-E285 HydrophobicContact CB-CB 4.42Å; F132-E285 HydrophobicContact CD2-CB 3.73Å; F132-E285 HydrophobicContact CD2-CG 4.04Å; F132-E285 HydrophobicContact CE2-CB 4.21Å; F132-E285 HydrophobicContact CE2-CG 4Å; F132-E285 HydrophobicContact CG-CB 4.16Å; F132-H288 HydrophobicContact CD1-CB 3.81Å; F132-H288 AromaticContact CD1-CG 3.87Å; F132-H288 HydrophobicContact CE1-CB 3.74Å; F132-H288 AromaticContact CE1-CD2 3.35Å; F132-H288 WeakPolarHBondContact CE1-CD2 3.44Å; F132-H288 AromaticContact CE1-CG 3.36Å; F132-H288 AromaticContact CE1-ND1 3.89Å; F132-H288 AromaticContact CE1-NE2 3.85Å; F132-H288 AromaticContact CZ-CD2 3.86Å; F132-I302 HydrophobicContact CD1-CB 4.45Å; F132-I302 HydrophobicContact CD1-CD1 3.73Å; F132-I302 HydrophobicContact CD1-CG2 4.14Å; F132-I302 HydrophobicContact CE1-CB 3.68Å; F132-I302 HydrophobicContact CE1-CD1 3.65Å; F132-I302 HydrophobicContact CE1-CG1 4.19Å; F132-I302 HydrophobicContact CE1-CG2 3.68Å; F132-I302 HydrophobicContact CZ-CB 4.12Å; F132-I302 HydrophobicContact CZ-CG2 3.97Å; F132-V303 HydrophobicContact CE2-CG2 3.57Å; F132-V303 HydrophobicContact CZ-CB 4.42Å; F132-V303 HydrophobicContact CZ-CG2 3.5Å
133L97.5Very high97.9Very high0 Ų020 Ų200%010%0.095CC..  trans-62.4140-177.6-58-178.6000111.6I135 T136 K137 E281 F284L133-I135 HydrophobicContact CB-CG2 3.93Å; L133-I135 HydrophobicContact CD1-CG2 4.3Å; L133-I135 PolarHBondContact O-N 3.45Å; L133-T136 VanDerWaalsContact O-CB 3.31Å; L133-T136 WeakPolarHBondContact O-CB 3.37Å; L133-T136 PolarHBondContact O-N 3.06Å; L133-K137 PolarHBondContact O-N 2.81Å; L133-E281 HydrophobicContact CD2-CB 4.25Å; L133-F284 HydrophobicContact CD2-CD2 3.99Å; L133-F284 HydrophobicContact CD2-CE2 4.4Å
134P97.4Very high97.8Very high34 Ų3427.4 Ų27.422%0.22113%0.13CC..Hα-helixtrans-56.7-34.9175-25.933.7000112.8T136 K137 Q138 F284P134-T136 VanDerWaalsContact C-N 3.34Å; P134-T136 PolarHBondContact O-N 3.16Å; P134-K137 WeakPolarHBondContact O-CB 3.41Å; P134-K137 PolarHBondContact O-N 2.61Å; P134-Q138 WeakPolarHBondContact O-CG 3.44Å; P134-Q138 PolarHBondContact O-N 3.47Å; P134-F284 VanDerWaalsContact CD-CE2 3.41Å; P134-F284 VanDerWaalsContact CD-CZ 3.46Å; P134-F284 HydrophobicContact CG-CD1 3.89Å; P134-F284 HydrophobicContact CG-CD2 4.39Å; P134-F284 HydrophobicContact CG-CE1 3.37Å; P134-F284 HydrophobicContact CG-CE2 3.92Å; P134-F284 HydrophobicContact CG-CG 4.37Å; P134-F284 HydrophobicContact CG-CZ 3.39Å
135I97.4Very high97.7Very high0 Ų034.5 Ų34.50%016%0.161CC..Hα-helixtrans-63.1-39.4176.6-159.763.2000111.7L133 K137 Q138 I139 T259 A262 L274L133-I135 HydrophobicContact CB-CG2 3.93Å; L133-I135 HydrophobicContact CD1-CG2 4.3Å; L133-I135 PolarHBondContact O-N 3.45Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 2.75Å; I135-Q138 PolarHBondContact O-N 3.12Å; I135-I139 HydrophobicContact CG1-CD1 4.25Å; I135-I139 WeakPolarHBondContact O-CD1 3.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.35Å; I135-I139 PolarHBondContact O-N 2.78Å; I135-T259 HydrophobicContact CG2-CG2 3.9Å; I135-T259 WeakPolarHBondContact CG2-O 3.31Å; I135-A262 HydrophobicContact CD1-CB 4.03Å; I135-A262 HydrophobicContact CG1-CB 3.96Å; I135-L274 HydrophobicContact CD1-CB 3.52Å
136T97.8Very high97.7Very high0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-60.3-44.4175.2-59.20000110.6S130 L133 P134 Q138 I139 Q140 Y189S130-T136 PolarHBondContact O-OG1 3.48Å; L133-T136 VanDerWaalsContact O-CB 3.31Å; L133-T136 WeakPolarHBondContact O-CB 3.37Å; L133-T136 PolarHBondContact O-N 3.06Å; P134-T136 VanDerWaalsContact C-N 3.34Å; P134-T136 PolarHBondContact O-N 3.16Å; T136-Q138 PolarHBondContact O-N 3.26Å; T136-I139 WeakPolarHBondContact O-CB 3.38Å; T136-I139 PolarHBondContact O-N 3.48Å; T136-Q140 WeakPolarHBondContact O-CG 3.49Å; T136-Q140 PolarHBondContact O-N 3.08Å; T136-Y189 HydrophobicContact CG2-CE2 3.7Å; T136-Y189 VanDerWaalsContact OG1-CE2 3.28Å; T136-Y189 WeakPolarHBondContact OG1-CE2 3.25Å; T136-Y189 PolarHBondContact OG1-OH 2.7Å; T136-Y189 VanDerWaalsContact OG1-OH 3.06Å
137K97Very high97.7Very high134 Ų13439.2 Ų39.258%0.58319%0.19SC*.Hα-helixtrans-62.3-41.4175.5-172176.5-176.41750112.2L133 P134 I135 Q140 Q141L133-K137 PolarHBondContact O-N 2.81Å; P134-K137 WeakPolarHBondContact O-CB 3.41Å; P134-K137 PolarHBondContact O-N 2.61Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 2.75Å; K137-Q140 PolarHBondContact O-N 3.07Å; K137-Q141 VanDerWaalsContact O-CG 3.32Å; K137-Q141 WeakPolarHBondContact O-CG 3.42Å; K137-Q141 PolarHBondContact O-N 3.03Å
138Q98.2Very high97.7Very high50 Ų5039.2 Ų39.223%0.23419%0.189CC..Hα-helixtrans-63.9-42.4175.5-69.3-178.259.500111.8P134 I135 T136 Q140 Q141 V142 L274 S275P134-Q138 WeakPolarHBondContact O-CG 3.44Å; P134-Q138 PolarHBondContact O-N 3.47Å; I135-Q138 PolarHBondContact O-N 3.12Å; T136-Q138 PolarHBondContact O-N 3.26Å; Q138-Q140 PolarHBondContact O-N 2.63Å; Q138-Q141 WeakPolarHBondContact O-CB 3.3Å; Q138-Q141 PolarHBondContact O-N 3.37Å; Q138-Q141 VanDerWaalsContact O-N 3.16Å; Q138-V142 WeakPolarHBondContact O-CG2 3.44Å; Q138-V142 PolarHBondContact O-N 3.38Å; Q138-L274 HydrophobicContact CB-CD1 4.14Å; Q138-S275 PolarHBondContact NE2-O 3.08Å
139I98.4Very high97.7Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-58.6-47175.9-70.2162000110.5I135 T136 Q141 V142 I143 L193 I244 I251 V253 A262 L274I135-I139 HydrophobicContact CG1-CD1 4.25Å; I135-I139 WeakPolarHBondContact O-CD1 3.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.35Å; I135-I139 PolarHBondContact O-N 2.78Å; T136-I139 WeakPolarHBondContact O-CB 3.38Å; T136-I139 PolarHBondContact O-N 3.48Å; I139-Q141 VanDerWaalsContact C-N 3.32Å; I139-Q141 PolarHBondContact O-N 3Å; I139-V142 WeakPolarHBondContact O-CB 3.17Å; I139-V142 PolarHBondContact O-N 2.96Å; I139-V142 VanDerWaalsContact O-N 3.16Å; I139-I143 HydrophobicContact CG2-CD1 3.87Å; I139-I143 WeakPolarHBondContact O-CG1 3.3Å; I139-I143 PolarHBondContact O-N 3.14Å; I139-L193 HydrophobicContact CG2-CD2 4.05Å; I139-I244 HydrophobicContact CG2-CD1 3.46Å; I139-I244 VanDerWaalsContact CG2-CD1 3.46Å; I139-I251 HydrophobicContact CG1-CG2 4.22Å; I139-I251 HydrophobicContact CG2-CD1 4Å; I139-V253 HydrophobicContact CD1-CG1 4.07Å; I139-V253 HydrophobicContact CD1-CG2 3.57Å; I139-A262 HydrophobicContact CD1-CB 4.26Å; I139-A262 HydrophobicContact CG1-CB 4.44Å; I139-L274 HydrophobicContact CG1-CD1 4.16Å
140Q97.9Very high97.8Very high41 Ų4143.3 Ų43.319%0.19222%0.218CC..Hα-helixtrans-58.8-42.4175.3-72.8176.3-45.500112.1T136 K137 Q138 V142 I143 Q144 H192 L193T136-Q140 WeakPolarHBondContact O-CG 3.49Å; T136-Q140 PolarHBondContact O-N 3.08Å; K137-Q140 PolarHBondContact O-N 3.07Å; Q138-Q140 PolarHBondContact O-N 2.63Å; Q140-V142 VanDerWaalsContact C-N 3.34Å; Q140-V142 PolarHBondContact O-N 3.29Å; Q140-I143 PolarHBondContact O-N 2.87Å; Q140-Q144 WeakPolarHBondContact O-CB 3.27Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 3.26Å; Q140-H192 PolarHBondContact NE2-CD2 2.7Å; Q140-H192 PolarHBondContact NE2-NE2 3.21Å; Q140-L193 HydrophobicContact CG-CD2 3.68Å
141Q98Very high97.8Very high80 Ų8044.1 Ų44.137%0.37422%0.222SC..Hα-helixtrans-64-37.4176.6-70.1171.71.700112.5K137 Q138 I139 K145K137-Q141 VanDerWaalsContact O-CG 3.32Å; K137-Q141 WeakPolarHBondContact O-CG 3.42Å; K137-Q141 PolarHBondContact O-N 3.03Å; Q138-Q141 WeakPolarHBondContact O-CB 3.3Å; Q138-Q141 PolarHBondContact O-N 3.37Å; Q138-Q141 VanDerWaalsContact O-N 3.16Å; I139-Q141 VanDerWaalsContact C-N 3.32Å; I139-Q141 PolarHBondContact O-N 3Å; Q141-K145 WeakPolarHBondContact O-CB 2.92Å; Q141-K145 WeakPolarHBondContact O-CG 3.46Å; Q141-K145 PolarHBondContact O-N 2.84Å
142V98Very high97.9Very high9 Ų950.1 Ų50.16%0.05524%0.244CC..Hα-helixtrans-63.6-44.3175.5168.90000110.6Q138 I139 Q140 K145 G146 K147 I251 I264 L274Q138-V142 WeakPolarHBondContact O-CG2 3.44Å; Q138-V142 PolarHBondContact O-N 3.38Å; I139-V142 WeakPolarHBondContact O-CB 3.17Å; I139-V142 PolarHBondContact O-N 2.96Å; I139-V142 VanDerWaalsContact O-N 3.16Å; Q140-V142 VanDerWaalsContact C-N 3.34Å; Q140-V142 PolarHBondContact O-N 3.29Å; V142-K145 PolarHBondContact O-N 3.42Å; V142-G146 PolarHBondContact O-N 3.12Å; V142-K147 HydrophobicContact CB-CD 4.49Å; V142-K147 HydrophobicContact CG1-CB 3.76Å; V142-K147 HydrophobicContact CG1-CD 4.04Å; V142-K147 HydrophobicContact CG1-CG 4.42Å; V142-K147 HydrophobicContact CG2-CD 4.27Å; V142-K147 PolarHBondContact O-N 2.96Å; V142-I251 HydrophobicContact CB-CD1 4.21Å; V142-I251 HydrophobicContact CG1-CD1 3.68Å; V142-I251 HydrophobicContact CG1-CG1 4.35Å; V142-I264 HydrophobicContact CB-CD1 4.38Å; V142-I264 HydrophobicContact CG1-CD1 3.73Å; V142-I264 HydrophobicContact CG1-CG1 4.4Å; V142-I264 HydrophobicContact CG2-CD1 3.69Å; V142-L274 HydrophobicContact CG2-CD1 4.09Å; V142-L274 HydrophobicContact CG2-CD2 4.31Å
143I97.8Very high97.9Very high30 Ų3053.6 Ų53.615%0.15426%0.257CS..Hα-helixtrans-63.3-49.6176.3-65.7163.6000110.3I139 Q140 K145 G146 L151 L193 I244 I251I139-I143 HydrophobicContact CG2-CD1 3.87Å; I139-I143 WeakPolarHBondContact O-CG1 3.3Å; I139-I143 PolarHBondContact O-N 3.14Å; Q140-I143 PolarHBondContact O-N 2.87Å; I143-K145 VanDerWaalsContact C-N 3.29Å; I143-K145 PolarHBondContact O-N 3.11Å; I143-G146 WeakPolarHBondContact O-CA 3.06Å; I143-G146 PolarHBondContact O-N 3.25Å; I143-L151 HydrophobicContact CD1-CD1 4.18Å; I143-L151 HydrophobicContact CG1-CD1 4.44Å; I143-L151 HydrophobicContact CG1-CD2 4.36Å; I143-L151 HydrophobicContact CG2-CD1 3.86Å; I143-L151 HydrophobicContact CG2-CD2 4.44Å; I143-L151 HydrophobicContact CG2-CG 4.16Å; I143-L193 HydrophobicContact CD1-CD1 4.49Å; I143-L193 HydrophobicContact CD1-CD2 4.12Å; I143-I244 HydrophobicContact CD1-CG2 4.29Å; I143-I251 HydrophobicContact CG1-CD1 4.22Å
144Q97.2Very high98Very high156 Ų15653.6 Ų53.673%0.72926%0.257SS*.Hα-helixtrans-60.4-35.9179.7-74169.58.100112.8Q140 G146Q140-Q144 WeakPolarHBondContact O-CB 3.27Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 3.26Å; Q144-G146 PolarHBondContact O-N 3.48Å
145K97.9Very high98.1Very high152 Ų15252.8 Ų52.866%0.66125%0.251SS*.THydrogen-bonded Turntrans-74.7-2.7174.7-71.6172-176.8176.20113.4Q141 V142 I143 K147Q141-K145 WeakPolarHBondContact O-CB 2.92Å; Q141-K145 WeakPolarHBondContact O-CG 3.46Å; Q141-K145 PolarHBondContact O-N 2.84Å; V142-K145 PolarHBondContact O-N 3.42Å; I143-K145 VanDerWaalsContact C-N 3.29Å; I143-K145 PolarHBondContact O-N 3.11Å; K145-K147 HydrophobicContact CB-CG 4.35Å; K145-K147 PolarHBondContact O-N 3.37Å
146G97.7Very high98.1Very high29 Ų2952.8 Ų52.830%0.29925%0.251SS..THydrogen-bonded Turntrans67.320.7179.200000114.1V142 I143 Q144 I148 G149V142-G146 PolarHBondContact O-N 3.12Å; I143-G146 WeakPolarHBondContact O-CA 3.06Å; I143-G146 PolarHBondContact O-N 3.25Å; Q144-G146 PolarHBondContact O-N 3.48Å; G146-I148 VanDerWaalsContact C-N 3.28Å; G146-I148 PolarHBondContact O-N 2.97Å; G146-G149 PolarHBondContact O-N 3.05Å
147K98.1Very high98.2Very high72 Ų7253.2 Ų53.231%0.31325%0.253SS..THydrogen-bonded Turntrans-57.9-39.2-176-84-170.3154.1-160.30112.5V142 K145 Y266 E272V142-K147 HydrophobicContact CB-CD 4.49Å; V142-K147 HydrophobicContact CG1-CB 3.76Å; V142-K147 HydrophobicContact CG1-CD 4.04Å; V142-K147 HydrophobicContact CG1-CG 4.42Å; V142-K147 HydrophobicContact CG2-CD 4.27Å; V142-K147 PolarHBondContact O-N 2.96Å; K145-K147 HydrophobicContact CB-CG 4.35Å; K145-K147 PolarHBondContact O-N 3.37Å; K147-Y266 HydrophobicContact CB-CE1 4.18Å; K147-Y266 WeakPolarHBondContact CD-OH 3.38Å; K147-Y266 WeakPolarHBondContact O-CE1 3.34Å; K147-E272 VanDerWaalsContact NZ-CD 3.34Å; K147-E272 IonicContact NZ-OE1 3.89Å; K147-E272 PolarHBondContact NZ-OE1 2.68Å; K147-E272 IonicContact NZ-OE2 3.76Å; K147-E272 PolarHBondContact NZ-OE2 3.18Å
148I98.5Very high98.2Very high0 Ų046.9 Ų46.90%023%0.226CC..THydrogen-bonded Turntrans-100.412.9176.260.5161.9000113.3G146 L151 I244 G246 E247 K248 I251 I264G146-I148 VanDerWaalsContact C-N 3.28Å; G146-I148 PolarHBondContact O-N 2.97Å; I148-L151 HydrophobicContact CD1-CD2 3.46Å; I148-L151 VanDerWaalsContact CD1-CD2 3.46Å; I148-L151 HydrophobicContact CG1-CD2 4.13Å; I148-I244 HydrophobicContact CD1-CG2 4.01Å; I148-G246 CarbonylContact O-C 3.6Å; I148-G246 WeakPolarHBondContact O-CA 3.03Å; I148-E247 PolarHBondContact O-N 2.86Å; I148-K248 PolarHBondContact O-N 3Å; I148-I251 HydrophobicContact CD1-CD1 4.03Å; I148-I251 HydrophobicContact CD1-CG1 4.04Å; I148-I251 HydrophobicContact CG2-CG1 4.27Å; I148-I264 HydrophobicContact CG2-CG2 3.85Å
149G98.1Very high98.1Very high14 Ų1444.5 Ų44.514%0.14422%0.215CC..  trans71.7-157.9-177.800000113.5G146G146-G149 PolarHBondContact O-N 3.05Å
150T97.7Very high98Very high79 Ų7947.7 Ų47.749%0.48523%0.227SC..SBendtrans-70.6132.2177.7-44.50000109.7G246 E247T150-G246 CarbonylContact O-C 3.43Å; T150-G246 WeakPolarHBondContact O-CA 3.49Å; T150-E247 WeakPolarHBondContact CB-OE2 3.45Å; T150-E247 PolarHBondContact N-OE2 3.26Å; T150-E247 PolarHBondContact O-N 3.28Å; T150-E247 PolarHBondContact OG1-OE2 2.94Å
151L98.5Very high97.6Very high18 Ų1848 Ų489%0.09423%0.233CC..EExtended strand (participates in β ladder)trans-65.2143.6175.2-62-172.4000110.9I143 I148 L194 V226 I244I143-L151 HydrophobicContact CD1-CD1 4.18Å; I143-L151 HydrophobicContact CG1-CD1 4.44Å; I143-L151 HydrophobicContact CG1-CD2 4.36Å; I143-L151 HydrophobicContact CG2-CD1 3.86Å; I143-L151 HydrophobicContact CG2-CD2 4.44Å; I143-L151 HydrophobicContact CG2-CG 4.16Å; I148-L151 HydrophobicContact CD1-CD2 3.46Å; I148-L151 VanDerWaalsContact CD1-CD2 3.46Å; I148-L151 HydrophobicContact CG1-CD2 4.13Å; L151-L194 HydrophobicContact CD1-CD2 3.65Å; L151-V226 HydrophobicContact CB-CG2 3.84Å; L151-V226 WeakPolarHBondContact O-CG2 3.46Å; L151-I244 HydrophobicContact CD1-CG2 4.31Å; L151-I244 HydrophobicContact CD2-CG2 3.67Å
152R98.4Very high97.1Very high132 Ų13250.4 Ų50.450%0.49825%0.249SC..EExtended strand (participates in β ladder)trans-129.1-39.5-179.2-63.3-61.6-176.2-177.81112.8I227 Y245 E247R152-I227 PolarHBondContact O-N 3.02Å; R152-I227 VanDerWaalsContact O-N 3.15Å; R152-Y245 PolarHBondContact N-O 2.82Å; R152-E247 HydrophobicContact CG-CG 4.21Å; R152-E247 IonicContact CZ-OE1 3.25Å; R152-E247 IonicContact NE-OE1 2.88Å; R152-E247 PolarHBondContact NE-OE1 3.38Å; R152-E247 IonicContact NH2-OE1 3.7Å; R152-E247 PolarHBondContact NH2-OE1 2.55Å
153W98.8Very high96.7Very high95 Ų9550.6 Ų50.636%0.3625%0.249SC..EExtended strand (participates in β ladder)trans-148.5138.6-175.7-17839.5000112D155 I227 T229 Y245W153-D155 HydrophobicContact CH2-CB 4.11Å; W153-D155 HydrophobicContact CZ2-CB 3.74Å; W153-I227 CarbonylContact C-O 3.5Å; W153-I227 VanDerWaalsContact CA-O 3.3Å; W153-I227 WeakPolarHBondContact CA-O 3.4Å; W153-I227 VanDerWaalsContact CD1-O 3.28Å; W153-T229 WeakPolarHBondContact CZ2-OG1 3.27Å; W153-T229 PolarHBondContact NE1-OG1 3.27Å; W153-Y245 HydrophobicContact CB-CD2 4.35Å; W153-Y245 HydrophobicContact CD2-CD2 4.08Å; W153-Y245 HydrophobicContact CD2-CE2 4.28Å; W153-Y245 AromaticContact CE3-CD2 3.52Å; W153-Y245 HydrophobicContact CE3-CD2 3.52Å; W153-Y245 AromaticContact CE3-CE2 3.5Å; W153-Y245 HydrophobicContact CE3-CE2 3.5Å; W153-Y245 VanDerWaalsContact CE3-CE2 3.5Å; W153-Y245 HydrophobicContact CE3-CG 4.15Å; W153-Y245 HydrophobicContact CG-CD2 4.46Å; W153-Y245 HydrophobicContact CH2-CE2 4.49Å; W153-Y245 HydrophobicContact CZ3-CD2 4.16Å; W153-Y245 AromaticContact CZ3-CE2 3.63Å; W153-Y245 HydrophobicContact CZ3-CE2 3.63Å; W153-Y245 AromaticContact CZ3-CZ 3.94Å; W153-Y245 PolarHBondContact N-O 3.2Å; W153-Y245 WeakPolarHBondContact O-CB 3.35Å; W153-Y245 PolarHBondContact O-N 2.82Å
154L98.8Very high96.1Very high1 Ų154 Ų541%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-116.9120.7172.6-66.4160.3000108.1M190 L193 L194 V226 I227 G228 T229 I244L154-M190 HydrophobicContact CB-CE 4.12Å; L154-M190 HydrophobicContact CB-CG 4.06Å; L154-M190 HydrophobicContact CB-SD 4.1Å; L154-M190 HydrophobicContact CD1-CB 3.98Å; L154-M190 HydrophobicContact CD1-CG 3.91Å; L154-M190 HydrophobicContact CG-CG 4.5Å; L154-L193 HydrophobicContact CD2-CD1 4.18Å; L154-L194 HydrophobicContact CD1-CD1 3.58Å; L154-L194 HydrophobicContact CD1-CD2 4.13Å; L154-L194 HydrophobicContact CD1-CG 3.83Å; L154-V226 HydrophobicContact CD1-CG1 3.94Å; L154-V226 HydrophobicContact CG-CG1 4.13Å; L154-I227 PolarHBondContact N-O 3.22Å; L154-G228 CarbonylContact O-C 3.5Å; L154-G228 WeakPolarHBondContact O-CA 3.33Å; L154-T229 PolarHBondContact O-N 3.05Å; L154-T229 PolarHBondContact O-OG1 2.98Å; L154-I244 HydrophobicContact CD2-CB 3.96Å; L154-I244 HydrophobicContact CD2-CG1 3.63Å; L154-I244 HydrophobicContact CD2-CG2 3.7Å
155D98.8Very high95.7Very high16 Ų1651.9 Ų51.99%0.08626%0.257CS..EExtended strand (participates in β ladder)trans-116.3127.6178.7-178.455.6000110.1W153 T229 R241 M242 I243 Y245W153-D155 HydrophobicContact CH2-CB 4.11Å; W153-D155 HydrophobicContact CZ2-CB 3.74Å; D155-T229 PolarHBondContact OD1-OG1 2.95Å; D155-R241 IonicContact OD2-CZ 3.66Å; D155-R241 IonicContact OD2-NE 3.19Å; D155-R241 IonicContact OD2-NH2 3.92Å; D155-R241 PolarHBondContact OD2-NH2 3.45Å; D155-M242 CarbonylContact O-C 3.51Å; D155-M242 VanDerWaalsContact O-CA 3.22Å; D155-M242 WeakPolarHBondContact O-CA 3.43Å; D155-I243 PolarHBondContact N-O 3.07Å; D155-I243 PolarHBondContact O-N 3.39Å; D155-Y245 HydrophobicContact CB-CE2 4.34Å
156S98.8Very high95.4Very high0 Ų046.8 Ų46.80%024%0.237CC..EExtended strand (participates in β ladder)trans-124.9132172.6-173.90000110.9P186 T229 I230 F231 R241S156-P186 WeakPolarHBondContact OG-CB 3.3Å; S156-T229 PolarHBondContact N-O 3.21Å; S156-I230 WeakPolarHBondContact O-CA 3.42Å; S156-F231 PolarHBondContact O-N 3.05Å; S156-R241 WeakPolarHBondContact CA-O 3.42Å
157V98.6Very high95.1Very high9 Ų951 Ų516%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-127.5127.1172.9173.80000109.1F231 L238 K240 R241V157-F231 WeakPolarHBondContact CA-O 3.35Å; V157-F231 HydrophobicContact CG1-CD1 4.12Å; V157-F231 HydrophobicContact CG2-CB 4.19Å; V157-L238 HydrophobicContact CG1-CB 4.25Å; V157-L238 HydrophobicContact CG1-CD1 3.96Å; V157-K240 WeakPolarHBondContact O-CA 3.17Å; V157-R241 HydrophobicContact CB-CG 4.49Å; V157-R241 VanDerWaalsContact CB-NH1 3.32Å; V157-R241 PolarHBondContact N-O 3.43Å; V157-R241 PolarHBondContact O-N 2.91Å
158T98.1Very high94.8Very high2 Ų251.2 Ų51.21%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-133.9132.5175.6-57.50000110.6Y160 F231 L232 T233 K240 W257T158-Y160 HydrophobicContact CG2-CD2 4Å; T158-Y160 HydrophobicContact CG2-CE1 4.47Å; T158-Y160 HydrophobicContact CG2-CE2 3.24Å; T158-F231 PolarHBondContact N-O 3.47Å; T158-L232 VanDerWaalsContact O-CA 3.31Å; T158-L232 WeakPolarHBondContact O-CA 3.46Å; T158-T233 PolarHBondContact O-N 3.5Å; T158-T233 VanDerWaalsContact O-N 3.08Å; T158-K240 HydrophobicContact CG2-CG 4.39Å; T158-W257 HydrophobicContact CG2-CH2 3.81Å; T158-W257 HydrophobicContact CG2-CZ3 4.09Å
159A96.9Very high94.6Very high0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-130135.6-179.900000112.3T233 L236 L238 K240A159-T233 CarbonylContact C-O 3.57Å; A159-T233 VanDerWaalsContact CA-O 3.26Å; A159-T233 WeakPolarHBondContact CA-O 3.4Å; A159-T233 HydrophobicContact CB-CG2 3.79Å; A159-L236 WeakPolarHBondContact CB-O 3.36Å; A159-L238 HydrophobicContact CB-CB 3.81Å; A159-L238 HydrophobicContact CB-CG 4.39Å; A159-K240 WeakPolarHBondContact O-CE 3.35Å; A159-K240 PolarHBondContact O-NZ 3.04Å
160Y94.4Very high94.4Very high66 Ų6655 Ų5526%0.25927%0.271SS..  trans-129.775.7177.4-61.7-77.1000111.4T158 N162 I163 A182 T233 V234T158-Y160 HydrophobicContact CG2-CD2 4Å; T158-Y160 HydrophobicContact CG2-CE1 4.47Å; T158-Y160 HydrophobicContact CG2-CE2 3.24Å; Y160-N162 PolarHBondContact O-N 3.47Å; Y160-N162 VanDerWaalsContact O-N 3.07Å; Y160-I163 HydrophobicContact CG-CD1 4.44Å; Y160-A182 HydrophobicContact CE2-CB 3.71Å; Y160-T233 PolarHBondContact N-O 2.9Å; Y160-V234 WeakPolarHBondContact O-CA 3.41Å; Y160-V234 WeakPolarHBondContact O-CB 3.23Å
161P90.2Very high94.3Very high48 Ų4854.6 Ų54.631%0.31227%0.266SS..THydrogen-bonded Turntrans-62.6-19-17524.1-34.5000114.6V234 D237P161-V234 WeakPolarHBondContact CA-O 3.48Å; P161-D237 HydrophobicContact CG-CB 4.33Å
162N87.5Confident94.1Very high131 Ų13156.2 Ų56.270%0.70128%0.275SS*.THydrogen-bonded Turntrans-115.743.5-175-64.2-44.8000112.6Y160 D164 H165Y160-N162 PolarHBondContact O-N 3.47Å; Y160-N162 VanDerWaalsContact O-N 3.07Å; N162-D164 VanDerWaalsContact C-N 3.28Å; N162-D164 PolarHBondContact O-N 3.49Å; N162-H165 PolarHBondContact O-CE1 3.4Å; N162-H165 PolarHBondContact O-ND1 3.37Å
163I89.2Confident93.8Very high12 Ų1253.5 Ų53.56%0.06228%0.276CS..G310 helixtrans-74.2-14.2-170.8-157.859.4000114.7Y160 H165 I166 F169 V234Y160-I163 HydrophobicContact CG-CD1 4.44Å; I163-H165 PolarHBondContact O-N 3.33Å; I163-I166 HydrophobicContact CD1-CD1 3.88Å; I163-I166 PolarHBondContact O-N 2.8Å; I163-F169 HydrophobicContact CB-CD1 4.25Å; I163-F169 HydrophobicContact CB-CE1 4.3Å; I163-F169 HydrophobicContact CD1-CD2 4.04Å; I163-F169 HydrophobicContact CD1-CE2 4.04Å; I163-F169 HydrophobicContact CD1-CG 4.45Å; I163-F169 HydrophobicContact CD1-CZ 4.46Å; I163-F169 HydrophobicContact CG1-CB 4.29Å; I163-F169 HydrophobicContact CG1-CD1 3.58Å; I163-F169 HydrophobicContact CG1-CD2 3.51Å; I163-F169 HydrophobicContact CG1-CE1 3.68Å; I163-F169 HydrophobicContact CG1-CE2 3.59Å; I163-F169 HydrophobicContact CG1-CG 3.49Å; I163-F169 VanDerWaalsContact CG1-CG 3.49Å; I163-F169 HydrophobicContact CG1-CZ 3.68Å; I163-F169 HydrophobicContact CG2-CD1 3.63Å; I163-F169 HydrophobicContact CG2-CE1 3.73Å; I163-F169 HydrophobicContact CG2-CG 4.33Å; I163-F169 HydrophobicContact CG2-CZ 4.48Å; I163-V234 HydrophobicContact CB-CB 4.35Å; I163-V234 HydrophobicContact CB-CG1 4.13Å; I163-V234 HydrophobicContact CG1-CG1 4.33Å; I163-V234 HydrophobicContact CG2-CB 3.87Å; I163-V234 HydrophobicContact CG2-CG1 3.95Å; I163-V234 HydrophobicContact CG2-CG2 4.21Å
164D86.4Confident93.5Very high103 Ų10349.5 Ų49.555%0.55126%0.263SS*.G310 helixtrans-65.4-10.4-171.7-64.4-34.4000114.8N162 I166 R170N162-D164 VanDerWaalsContact C-N 3.28Å; N162-D164 PolarHBondContact O-N 3.49Å; D164-I166 PolarHBondContact O-N 3.03Å; D164-R170 IonicContact OD1-CZ 2.75Å; D164-R170 VanDerWaalsContact OD1-CZ 3.25Å; D164-R170 IonicContact OD1-NE 3.44Å; D164-R170 PolarHBondContact OD1-NE 2.84Å; D164-R170 IonicContact OD1-NH2 3.95Å; D164-R170 PolarHBondContact OD1-NH2 2.84Å; D164-R170 IonicContact OD2-NH2 3.41Å
165H88.5Confident93.3Very high110 Ų11049.5 Ų49.551%0.50926%0.263SS..G310 helixtrans-65.4-17.1169.766.9-83.1000113.1Q18 N162 I163Q18-H165 PolarHBondContact OE1-CD2 3.12Å; N162-H165 PolarHBondContact O-CE1 3.4Å; N162-H165 PolarHBondContact O-ND1 3.37Å; I163-H165 PolarHBondContact O-N 3.33Å
166I90.3Very high93.1Very high45 Ų4548.7 Ų48.723%0.23126%0.259CS..SBendtrans-95.799171.9-54.7179.1000108.4I163 D164 W168 F169I163-I166 HydrophobicContact CD1-CD1 3.88Å; I163-I166 PolarHBondContact O-N 2.8Å; D164-I166 PolarHBondContact O-N 3.03Å; I166-W168 HydrophobicContact CG2-CD2 3.86Å; I166-W168 HydrophobicContact CG2-CE3 4.41Å; I166-W168 HydrophobicContact CG2-CG 4.23Å; I166-W168 HydrophobicContact CG2-CH2 4.36Å; I166-W168 HydrophobicContact CG2-CZ2 3.81Å; I166-W168 PolarHBondContact O-N 2.99Å; I166-F169 HydrophobicContact CB-CB 3.89Å; I166-F169 HydrophobicContact CG2-CB 3.89Å; I166-F169 VanDerWaalsContact O-CB 3.3Å; I166-F169 WeakPolarHBondContact O-CB 3.35Å; I166-F169 PolarHBondContact O-N 3.08Å
167S91.9Very high92.9Very high119 Ų11948.7 Ų48.783%0.83226%0.259SS*.THydrogen-bonded Turntrans-59.5-25.1-170.259.30000115.7
168W92.4Very high92.8Very high75 Ų7548.3 Ų48.328%0.28426%0.257SS..THydrogen-bonded Turntrans-99.5-1.1-179.855.2-96.2000113.4N80 I166 R170 D171 A174N80-W168 HydrophobicContact CB-CZ3 4.38Å; N80-W168 WeakPolarHBondContact OD1-CH2 3.37Å; I166-W168 HydrophobicContact CG2-CD2 3.86Å; I166-W168 HydrophobicContact CG2-CE3 4.41Å; I166-W168 HydrophobicContact CG2-CG 4.23Å; I166-W168 HydrophobicContact CG2-CH2 4.36Å; I166-W168 HydrophobicContact CG2-CZ2 3.81Å; I166-W168 PolarHBondContact O-N 2.99Å; W168-R170 VanDerWaalsContact C-N 3.3Å; W168-R170 PolarHBondContact O-N 2.85Å; W168-D171 PolarHBondContact O-N 2.77Å; W168-A174 HydrophobicContact CB-CB 3.95Å
169F94.2Very high92.8Very high12 Ų1248.3 Ų48.35%0.05326%0.256CS..THydrogen-bonded Turntrans-61.4-37.5-172.5179.4-90.7000113.1I163 I166 D171 G176 G177 V178 S212 V234I163-F169 HydrophobicContact CB-CD1 4.25Å; I163-F169 HydrophobicContact CB-CE1 4.3Å; I163-F169 HydrophobicContact CD1-CD2 4.04Å; I163-F169 HydrophobicContact CD1-CE2 4.04Å; I163-F169 HydrophobicContact CD1-CG 4.45Å; I163-F169 HydrophobicContact CD1-CZ 4.46Å; I163-F169 HydrophobicContact CG1-CB 4.29Å; I163-F169 HydrophobicContact CG1-CD1 3.58Å; I163-F169 HydrophobicContact CG1-CD2 3.51Å; I163-F169 HydrophobicContact CG1-CE1 3.68Å; I163-F169 HydrophobicContact CG1-CE2 3.59Å; I163-F169 HydrophobicContact CG1-CG 3.49Å; I163-F169 VanDerWaalsContact CG1-CG 3.49Å; I163-F169 HydrophobicContact CG1-CZ 3.68Å; I163-F169 HydrophobicContact CG2-CD1 3.63Å; I163-F169 HydrophobicContact CG2-CE1 3.73Å; I163-F169 HydrophobicContact CG2-CG 4.33Å; I163-F169 HydrophobicContact CG2-CZ 4.48Å; I166-F169 HydrophobicContact CB-CB 3.89Å; I166-F169 HydrophobicContact CG2-CB 3.89Å; I166-F169 VanDerWaalsContact O-CB 3.3Å; I166-F169 WeakPolarHBondContact O-CB 3.35Å; I166-F169 PolarHBondContact O-N 3.08Å; F169-D171 VanDerWaalsContact C-N 3.29Å; F169-G176 CarbonylContact O-C 3.59Å; F169-G176 WeakPolarHBondContact O-CA 3.38Å; F169-G177 PolarHBondContact O-N 2.93Å; F169-V178 HydrophobicContact CZ-CB 3.89Å; F169-V178 HydrophobicContact CZ-CG2 4.35Å; F169-S212 PolarHBondContact O-OG 3.26Å; F169-V234 HydrophobicContact CE1-CG1 3.76Å; F169-V234 HydrophobicContact CE1-CG2 4.48Å; F169-V234 HydrophobicContact CZ-CG1 3.67Å
170R94.8Very high92.7Very high81 Ų8149.9 Ų49.931%0.30626%0.262SS..THydrogen-bonded Turntrans-80.7-7178.6-67179.6-178.2-75.5-3.1113.5D164 W168 Q211 S212D164-R170 IonicContact OD1-CZ 2.75Å; D164-R170 VanDerWaalsContact OD1-CZ 3.25Å; D164-R170 IonicContact OD1-NE 3.44Å; D164-R170 PolarHBondContact OD1-NE 2.84Å; D164-R170 IonicContact OD1-NH2 3.95Å; D164-R170 PolarHBondContact OD1-NH2 2.84Å; D164-R170 IonicContact OD2-NH2 3.41Å; W168-R170 VanDerWaalsContact C-N 3.3Å; W168-R170 PolarHBondContact O-N 2.85Å; R170-Q211 HydrophobicContact CB-CB 4.42Å; R170-Q211 HydrophobicContact CB-CG 4.33Å; R170-Q211 VanDerWaalsContact CD-OE1 3.23Å; R170-Q211 CarbonylContact O-C 3.56Å; R170-Q211 VanDerWaalsContact O-CA 3.3Å; R170-Q211 WeakPolarHBondContact O-CA 3.31Å; R170-S212 VanDerWaalsContact CA-OG 3.3Å; R170-S212 WeakPolarHBondContact CA-OG 3.34Å; R170-S212 PolarHBondContact O-N 2.59Å; R170-S212 PolarHBondContact O-OG 3.5Å
171D94.6Very high92.6Very high72 Ų7247.7 Ų47.739%0.38526%0.26SS..  trans-92.7104.9179-179.6-4.7000110.6W168 F169 S173 A174 G175 G176W168-D171 PolarHBondContact O-N 2.77Å; F169-D171 VanDerWaalsContact C-N 3.29Å; D171-S173 PolarHBondContact O-N 2.65Å; D171-S173 WeakPolarHBondContact OD1-CA 3.35Å; D171-S173 VanDerWaalsContact OD1-CB 3.23Å; D171-S173 WeakPolarHBondContact OD1-CB 3.42Å; D171-S173 PolarHBondContact OD1-N 3.3Å; D171-S173 PolarHBondContact OD1-OG 3.45Å; D171-S173 PolarHBondContact OD2-OG 3.07Å; D171-A174 HydrophobicContact CB-CB 3.91Å; D171-A174 PolarHBondContact O-N 3.37Å; D171-A174 VanDerWaalsContact O-N 3.16Å; D171-A174 PolarHBondContact OD1-N 2.75Å; D171-G175 PolarHBondContact O-N 2.94Å; D171-G176 WeakPolarHBondContact O-CA 3.2Å; D171-G176 PolarHBondContact O-N 3Å
172L93.9Very high92.8Very high51 Ų5145.6 Ų45.627%0.26725%0.247SC..G310 helixtrans-59.4-33.6177.7-174.861.6000112.4A174 G175 R180 F207 Y319L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 3.42Å; L172-G175 PolarHBondContact O-N 3.22Å; L172-R180 PolarHBondContact O-NH1 2.74Å; L172-R180 VanDerWaalsContact O-NH1 3.12Å; L172-F207 HydrophobicContact CD1-CE1 4.19Å; L172-F207 HydrophobicContact CD2-CE1 4.29Å; L172-Y319 HydrophobicContact CD1-CD1 4.24Å; L172-Y319 HydrophobicContact CD1-CE1 3.88Å
173S92.5Very high93.3Very high75 Ų7539.3 Ų39.352%0.52421%0.213SC..G310 helixtrans-73.6-23.3-179.185.50000113K81 D171 G175K81-S173 WeakPolarHBondContact CD-O 3.35Å; K81-S173 PolarHBondContact NZ-O 3.26Å; D171-S173 PolarHBondContact O-N 2.65Å; D171-S173 WeakPolarHBondContact OD1-CA 3.35Å; D171-S173 VanDerWaalsContact OD1-CB 3.23Å; D171-S173 WeakPolarHBondContact OD1-CB 3.42Å; D171-S173 PolarHBondContact OD1-N 3.3Å; D171-S173 PolarHBondContact OD1-OG 3.45Å; D171-S173 PolarHBondContact OD2-OG 3.07Å; S173-G175 VanDerWaalsContact C-N 3.28Å
174A93.1Very high93.7Very high11 Ų1138.9 Ų38.99%0.09121%0.211CC..G310 helixtrans-83.4-4171.900000113.1Y79 K81 W168 D171 L172Y79-A174 WeakPolarHBondContact CD2-O 3.2Å; K81-A174 WeakPolarHBondContact CB-O 3.42Å; K81-A174 PolarHBondContact N-O 3.09Å; W168-A174 HydrophobicContact CB-CB 3.95Å; D171-A174 HydrophobicContact CB-CB 3.91Å; D171-A174 PolarHBondContact O-N 3.37Å; D171-A174 VanDerWaalsContact O-N 3.16Å; D171-A174 PolarHBondContact OD1-N 2.75Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 3.42Å
175G93.8Very high94.2Very high1 Ų135 Ų351%0.0119%0.189CC..THydrogen-bonded Turntrans89.715.9-173.500000113.6N80 D171 L172 S173 R180N80-G175 PolarHBondContact ND2-O 2.83Å; D171-G175 PolarHBondContact O-N 2.94Å; L172-G175 PolarHBondContact O-N 3.22Å; S173-G175 VanDerWaalsContact C-N 3.28Å; G175-R180 WeakPolarHBondContact O-CD 3.37Å
176G94.6Very high94.7Very high0 Ų029.8 Ų29.80%017%0.165CC..  trans-64.4169173.500000113.7F169 D171 R180 S212F169-G176 CarbonylContact O-C 3.59Å; F169-G176 WeakPolarHBondContact O-CA 3.38Å; D171-G176 WeakPolarHBondContact O-CA 3.2Å; D171-G176 PolarHBondContact O-N 3Å; G176-R180 WeakPolarHBondContact O-CD 3.39Å; G176-S212 WeakPolarHBondContact O-CB 2.99Å
177G95.7Very high95.1Very high0 Ų027.7 Ų27.70%015%0.154CC..SBendtrans123.9141.7-178.400000112.7F169 F179 R180 G181 S212 D213F169-G177 PolarHBondContact O-N 2.93Å; G177-F179 VanDerWaalsContact C-N 3.27Å; G177-F179 PolarHBondContact O-N 3.37Å; G177-R180 PolarHBondContact O-N 3.39Å; G177-G181 PolarHBondContact O-N 3.18Å; G177-S212 WeakPolarHBondContact CA-OG 3.25Å; G177-S212 PolarHBondContact N-OG 3.45Å; G177-D213 WeakPolarHBondContact CA-OD1 3.3Å
178V96.6Very high95.4Very high1 Ų122 Ų221%0.00611%0.114CC..Hα-helixtrans-64.5-35.3-178760000111.6F169 G181 A182 D213 A216 L232 V234F169-V178 HydrophobicContact CZ-CB 3.89Å; F169-V178 HydrophobicContact CZ-CG2 4.35Å; V178-G181 PolarHBondContact O-N 2.81Å; V178-A182 PolarHBondContact O-N 3.43Å; V178-D213 WeakPolarHBondContact CG1-OD2 3.5Å; V178-D213 PolarHBondContact N-O 2.85Å; V178-D213 PolarHBondContact N-OD2 3.2Å; V178-D213 VanDerWaalsContact N-OD2 3.07Å; V178-A216 HydrophobicContact CG1-CB 4.18Å; V178-L232 HydrophobicContact CB-CB 4.42Å; V178-L232 HydrophobicContact CG1-CB 3.82Å; V178-L232 HydrophobicContact CG2-CB 3.77Å; V178-V234 HydrophobicContact CB-CG1 4.07Å; V178-V234 HydrophobicContact CG2-CG1 3.81Å
179F97.3Very high95.7Very high1 Ų118.4 Ų18.40%0.00410%0.101CC..Iπ-helixtrans-69.5-44.6179.6-168.8-124.1000112.3G177 G181 G183 L205 D213 A216 V218 L232 T315 I318 Y319G177-F179 VanDerWaalsContact C-N 3.27Å; G177-F179 PolarHBondContact O-N 3.37Å; F179-G181 VanDerWaalsContact C-N 3.35Å; F179-G181 PolarHBondContact O-N 3.14Å; F179-G183 WeakPolarHBondContact O-CA 3.29Å; F179-G183 PolarHBondContact O-N 2.79Å; F179-L205 HydrophobicContact CB-CD2 3.82Å; F179-L205 HydrophobicContact CD1-CD2 4.21Å; F179-L205 HydrophobicContact CG-CD2 4.04Å; F179-D213 WeakPolarHBondContact CB-OD2 3.38Å; F179-D213 PolarHBondContact N-OD2 3Å; F179-A216 HydrophobicContact CB-CB 3.84Å; F179-A216 HydrophobicContact CD2-CB 4.03Å; F179-A216 HydrophobicContact CG-CB 4.18Å; F179-V218 HydrophobicContact CD2-CG2 4.14Å; F179-V218 HydrophobicContact CE2-CG2 3.55Å; F179-V218 HydrophobicContact CZ-CG2 3.87Å; F179-L232 HydrophobicContact CB-CD1 4.39Å; F179-L232 HydrophobicContact CD2-CD1 3.76Å; F179-T315 HydrophobicContact CD1-CG2 4.18Å; F179-T315 HydrophobicContact CE1-CG2 3.96Å; F179-I318 HydrophobicContact CD1-CB 4.48Å; F179-I318 HydrophobicContact CD1-CG2 4.03Å; F179-I318 HydrophobicContact CE1-CB 3.86Å; F179-I318 HydrophobicContact CE1-CD1 3.53Å; F179-I318 HydrophobicContact CE1-CG1 4.28Å; F179-I318 HydrophobicContact CE1-CG2 3.79Å; F179-I318 HydrophobicContact CZ-CD1 3.46Å; F179-I318 VanDerWaalsContact CZ-CD1 3.46Å; F179-Y319 HydrophobicContact CB-CE2 4.26Å; F179-Y319 HydrophobicContact CD1-CD2 4.29Å; F179-Y319 AromaticContact CD1-CE2 3.71Å; F179-Y319 HydrophobicContact CD1-CE2 3.71Å; F179-Y319 HydrophobicContact CG-CE2 4.47Å
180R94.9Very high95.9Very high33 Ų3317.9 Ų17.913%0.12510%0.098CC..Iπ-helixtrans-60.3-42.7170.1-84.7153.9-176.7-159.8-2.7112.6P102 M105 L172 G175 G176 G177 Y319P102-R180 WeakPolarHBondContact CD-O 3.47Å; P102-R180 HydrophobicContact CG-CB 4.32Å; P102-R180 WeakPolarHBondContact CG-O 3.45Å; M105-R180 HydrophobicContact CE-CG 4.28Å; M105-R180 VanDerWaalsContact CE-NE 3.26Å; L172-R180 PolarHBondContact O-NH1 2.74Å; L172-R180 VanDerWaalsContact O-NH1 3.12Å; G175-R180 WeakPolarHBondContact O-CD 3.37Å; G176-R180 WeakPolarHBondContact O-CD 3.39Å; G177-R180 PolarHBondContact O-N 3.39Å; R180-Y319 VanDerWaalsContact CD-CZ 3.45Å; R180-Y319 WeakPolarHBondContact CD-OH 3.23Å; R180-Y319 HydrophobicContact CG-CD2 4.42Å; R180-Y319 HydrophobicContact CG-CE2 3.51Å; R180-Y319 WeakPolarHBondContact CG-OH 3.43Å; R180-Y319 PolarHBondContact N-OH 3.41Å
181G92.3Very high96Very high20 Ų2014.2 Ų14.221%0.2069%0.085CC..Iπ-helixtrans-71.4-37.8-174.800000114.2K101 G177 V178 F179K101-G181 PolarHBondContact NZ-O 3.38Å; G177-G181 PolarHBondContact O-N 3.18Å; V178-G181 PolarHBondContact O-N 2.81Å; F179-G181 VanDerWaalsContact C-N 3.35Å; F179-G181 PolarHBondContact O-N 3.14Å
182A95.1Very high96.2Very high4 Ų412.7 Ų12.73%0.0338%0.075CC..Iπ-helixtrans-132.9-13-168.900000115.1Y160 V178 P186 L232Y160-A182 HydrophobicContact CE2-CB 3.71Å; V178-A182 PolarHBondContact O-N 3.43Å; A182-P186 WeakPolarHBondContact O-CD 3.26Å; A182-L232 HydrophobicContact CB-CD1 4.49Å; A182-L232 HydrophobicContact CB-CD2 4.28Å
183G97.4Very high96.3Very high0 Ų011 Ų110%07%0.067CC..Iπ-helixtrans-73.6-25.2-175.800000114.9F179 P186 L187F179-G183 WeakPolarHBondContact O-CA 3.29Å; F179-G183 PolarHBondContact O-N 2.79Å; G183-P186 VanDerWaalsContact O-CD 3.3Å; G183-P186 WeakPolarHBondContact O-CD 3.48Å; G183-P186 WeakPolarHBondContact O-CG 3.18Å; G183-L187 VanDerWaalsContact O-CB 3.25Å; G183-L187 WeakPolarHBondContact O-CB 3.06Å; G183-L187 PolarHBondContact O-N 2.95Å
184T96.8Very high96.5Very high3 Ų38.8 Ų8.82%0.0185%0.048CC..Hα-helixtrans-68.3-35.6177.661.80000112.1P102 L187 E188 T311P102-T184 HydrophobicContact CB-CG2 4.1Å; T184-L187 PolarHBondContact O-N 3.36Å; T184-E188 WeakPolarHBondContact CB-OE1 3.36Å; T184-E188 WeakPolarHBondContact O-CB 3.5Å; T184-E188 WeakPolarHBondContact O-CG 3.25Å; T184-E188 PolarHBondContact O-N 3.19Å; T184-T311 HydrophobicContact CG2-CG2 3.92Å
185Y97.6Very high96.7Very high20 Ų2011.7 Ų11.78%0.0788%0.08CC..Hα-helixtrans-51.8-63.3175.2-95.9-75.9000113.3K101 K129 L187 Y189 W257K101-Y185 HydrophobicContact CD-CD2 3.89Å; K101-Y185 HydrophobicContact CD-CE2 3.69Å; K101-Y185 HydrophobicContact CG-CE2 4.32Å; K129-Y185 WeakPolarHBondContact CE-OH 3.3Å; K129-Y185 HydrophobicContact CG-CE1 4.25Å; Y185-L187 VanDerWaalsContact C-N 3.31Å; Y185-L187 PolarHBondContact O-N 3.44Å; Y185-Y189 VanDerWaalsContact O-CB 3.23Å; Y185-Y189 WeakPolarHBondContact O-CB 3.39Å; Y185-Y189 PolarHBondContact O-N 2.9Å; Y185-W257 HydrophobicContact CD1-CB 3.48Å; Y185-W257 VanDerWaalsContact CD1-CB 3.48Å; Y185-W257 HydrophobicContact CD1-CG 4.4Å; Y185-W257 HydrophobicContact CE1-CB 3.41Å; Y185-W257 VanDerWaalsContact CE1-CB 3.41Å; Y185-W257 HydrophobicContact CE1-CG 4.29Å; Y185-W257 HydrophobicContact CG-CB 4.28Å
186P98.5Very high96.8Very high1 Ų113 Ų131%0.0069%0.09CC..Hα-helixtrans-69.2-31.4-178.626.6-32.8000111.9S156 A182 G183 Y189 M190 I230 M242 F256S156-P186 WeakPolarHBondContact OG-CB 3.3Å; A182-P186 WeakPolarHBondContact O-CD 3.26Å; G183-P186 VanDerWaalsContact O-CD 3.3Å; G183-P186 WeakPolarHBondContact O-CD 3.48Å; G183-P186 WeakPolarHBondContact O-CG 3.18Å; P186-Y189 PolarHBondContact O-N 3.39Å; P186-M190 HydrophobicContact CB-CE 4.33Å; P186-M190 WeakPolarHBondContact O-CB 3.45Å; P186-M190 WeakPolarHBondContact O-CG 3.24Å; P186-M190 PolarHBondContact O-N 3.15Å; P186-I230 HydrophobicContact CB-CD1 4.1Å; P186-I230 HydrophobicContact CB-CG1 4.04Å; P186-I230 HydrophobicContact CB-CG2 4.37Å; P186-I230 HydrophobicContact CG-CD1 3.96Å; P186-I230 HydrophobicContact CG-CG1 4.08Å; P186-I230 HydrophobicContact CG-CG2 3.63Å; P186-M242 HydrophobicContact CB-CE 3.95Å; P186-F256 HydrophobicContact CB-CE1 4.25Å; P186-F256 HydrophobicContact CB-CZ 3.78Å; P186-F256 HydrophobicContact CG-CZ 4.37Å
187L98.4Very high96.9Very high1 Ų114.4 Ų14.41%0.00510%0.1CC..Hα-helixtrans-62.9-48.4177.5178.156000111.7G183 T184 Y185 Q191 L220 I230 T311 I314G183-L187 VanDerWaalsContact O-CB 3.25Å; G183-L187 WeakPolarHBondContact O-CB 3.06Å; G183-L187 PolarHBondContact O-N 2.95Å; T184-L187 PolarHBondContact O-N 3.36Å; Y185-L187 VanDerWaalsContact C-N 3.31Å; Y185-L187 PolarHBondContact O-N 3.44Å; L187-Q191 VanDerWaalsContact O-CG 3.28Å; L187-Q191 WeakPolarHBondContact O-CG 3.41Å; L187-Q191 PolarHBondContact O-N 2.88Å; L187-Q191 PolarHBondContact O-NE2 2.92Å; L187-L220 HydrophobicContact CD1-CD1 3.62Å; L187-L220 HydrophobicContact CD1-CD2 4.05Å; L187-I230 HydrophobicContact CB-CD1 4.1Å; L187-T311 HydrophobicContact CB-CG2 4.46Å; L187-T311 HydrophobicContact CD2-CG2 3.66Å; L187-T311 HydrophobicContact CG-CG2 4.05Å; L187-I314 HydrophobicContact CD1-CD1 4.08Å; L187-I314 HydrophobicContact CD1-CG2 4.49Å; L187-I314 HydrophobicContact CD2-CB 3.97Å; L187-I314 HydrophobicContact CD2-CD1 4.24Å; L187-I314 HydrophobicContact CD2-CG2 3.7Å
188E98.5Very high97.1Very high0 Ų015.1 Ų15.10%011%0.105CC..Hα-helixtrans-68.6-40176.4-73.3166-13700111.8Q128 T184 M190 Q191 H192 L307 T311Q128-E188 WeakPolarHBondContact CG-OE2 3.48Å; Q128-E188 PolarHBondContact NE2-OE2 2.83Å; T184-E188 WeakPolarHBondContact CB-OE1 3.36Å; T184-E188 WeakPolarHBondContact O-CB 3.5Å; T184-E188 WeakPolarHBondContact O-CG 3.25Å; T184-E188 PolarHBondContact O-N 3.19Å; E188-M190 PolarHBondContact O-N 3.42Å; E188-Q191 PolarHBondContact O-N 2.73Å; E188-H192 VanDerWaalsContact O-CB 3.25Å; E188-H192 WeakPolarHBondContact O-CB 3.19Å; E188-H192 PolarHBondContact O-N 2.91Å; E188-L307 HydrophobicContact CB-CD1 4.39Å; E188-L307 HydrophobicContact CB-CD2 4.4Å; E188-L307 HydrophobicContact CG-CD1 4.23Å; E188-L307 HydrophobicContact CG-CD2 4.49Å; E188-L307 HydrophobicContact CG-CG 4.19Å; E188-T311 HydrophobicContact CG-CG2 3.75Å; E188-T311 WeakPolarHBondContact CG-OG1 3.21Å; E188-T311 WeakPolarHBondContact OE1-CG2 3.33Å
189Y98.5Very high97.1Very high0 Ų022.3 Ų22.30%014%0.139CC..Hα-helixtrans-60.9-44.6177.9-161.8-82.9000112.3S130 L131 T136 Y185 P186 H192 L193 M242 F256S130-Y189 WeakPolarHBondContact O-CE2 3.43Å; L131-Y189 HydrophobicContact CD2-CD2 3.86Å; L131-Y189 HydrophobicContact CD2-CG 4.3Å; T136-Y189 HydrophobicContact CG2-CE2 3.7Å; T136-Y189 VanDerWaalsContact OG1-CE2 3.28Å; T136-Y189 WeakPolarHBondContact OG1-CE2 3.25Å; T136-Y189 PolarHBondContact OG1-OH 2.7Å; T136-Y189 VanDerWaalsContact OG1-OH 3.06Å; Y185-Y189 VanDerWaalsContact O-CB 3.23Å; Y185-Y189 WeakPolarHBondContact O-CB 3.39Å; Y185-Y189 PolarHBondContact O-N 2.9Å; P186-Y189 PolarHBondContact O-N 3.39Å; Y189-H192 PolarHBondContact O-N 3Å; Y189-L193 HydrophobicContact CD1-CD1 3.72Å; Y189-L193 HydrophobicContact CD1-CG 3.87Å; Y189-L193 HydrophobicContact CE1-CD1 3.5Å; Y189-L193 HydrophobicContact CE1-CD2 4.16Å; Y189-L193 HydrophobicContact CE1-CG 3.77Å; Y189-L193 WeakPolarHBondContact O-CB 3.35Å; Y189-L193 WeakPolarHBondContact O-CG 3.26Å; Y189-L193 PolarHBondContact O-N 2.8Å; Y189-M242 HydrophobicContact CD1-CE 3.75Å; Y189-M242 HydrophobicContact CD1-SD 3.31Å; Y189-M242 WeakPolarHBondContact CD1-SD 3.26Å; Y189-M242 HydrophobicContact CE1-CE 4.48Å; Y189-M242 HydrophobicContact CE1-SD 3.58Å; Y189-M242 VanDerWaalsContact CE1-SD 3.58Å; Y189-M242 HydrophobicContact CG-CE 4.14Å; Y189-M242 HydrophobicContact CG-SD 4.26Å; Y189-F256 HydrophobicContact CD1-CD2 4.29Å; Y189-F256 AromaticContact CD2-CD2 3.55Å; Y189-F256 HydrophobicContact CD2-CD2 3.55Å; Y189-F256 AromaticContact CD2-CE2 3.84Å; Y189-F256 HydrophobicContact CD2-CE2 3.84Å; Y189-F256 AromaticContact CE2-CD2 3.84Å; Y189-F256 HydrophobicContact CE2-CD2 3.84Å; Y189-F256 AromaticContact CG-CD2 3.8Å; Y189-F256 HydrophobicContact CG-CD2 3.8Å; Y189-F256 AromaticContact CG-CE2 3.88Å; Y189-F256 HydrophobicContact CG-CE2 3.88Å
190M98.5Very high97.1Very high0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-63.4-44.7176.1-69.4175.4-17100111.5L154 P186 E188 H192 L193 L194 L220 F222 T229 I230 M242L154-M190 HydrophobicContact CB-CE 4.12Å; L154-M190 HydrophobicContact CB-CG 4.06Å; L154-M190 HydrophobicContact CB-SD 4.1Å; L154-M190 HydrophobicContact CD1-CB 3.98Å; L154-M190 HydrophobicContact CD1-CG 3.91Å; L154-M190 HydrophobicContact CG-CG 4.5Å; P186-M190 HydrophobicContact CB-CE 4.33Å; P186-M190 WeakPolarHBondContact O-CB 3.45Å; P186-M190 WeakPolarHBondContact O-CG 3.24Å; P186-M190 PolarHBondContact O-N 3.15Å; E188-M190 PolarHBondContact O-N 3.42Å; M190-H192 VanDerWaalsContact C-N 3.33Å; M190-H192 PolarHBondContact O-N 3Å; M190-L193 PolarHBondContact O-N 3.04Å; M190-L194 WeakPolarHBondContact O-CB 3.33Å; M190-L194 WeakPolarHBondContact O-CG 3.48Å; M190-L194 PolarHBondContact O-N 2.88Å; M190-L194 VanDerWaalsContact O-N 3.07Å; M190-L220 HydrophobicContact SD-CD1 3.9Å; M190-F222 HydrophobicContact CB-CE2 4.41Å; M190-F222 HydrophobicContact CB-CZ 3.89Å; M190-T229 WeakPolarHBondContact CE-O 3.45Å; M190-I230 HydrophobicContact CE-CD1 4.45Å; M190-I230 HydrophobicContact CE-CG1 3.72Å; M190-I230 HydrophobicContact SD-CD1 4.34Å; M190-I230 HydrophobicContact SD-CG1 4.14Å; M190-M242 HydrophobicContact CE-CE 4.21Å; M190-M242 HydrophobicContact CG-CE 4.41Å
191Q98.2Very high97.3Very high5 Ų529.6 Ų29.62%0.02317%0.173CC..Hα-helixtrans-61-43.1176.2-70.8178.996.600111.9L187 E188 L194 G195 A196 S197 F222 L307 T311L187-Q191 VanDerWaalsContact O-CG 3.28Å; L187-Q191 WeakPolarHBondContact O-CG 3.41Å; L187-Q191 PolarHBondContact O-N 2.88Å; L187-Q191 PolarHBondContact O-NE2 2.92Å; E188-Q191 PolarHBondContact O-N 2.73Å; Q191-L194 PolarHBondContact O-N 3.27Å; Q191-G195 WeakPolarHBondContact O-CA 3.47Å; Q191-G195 PolarHBondContact O-N 2.9Å; Q191-A196 VanDerWaalsContact CA-O 3.27Å; Q191-A196 WeakPolarHBondContact CA-O 3.42Å; Q191-A196 WeakPolarHBondContact CB-O 3.39Å; Q191-A196 WeakPolarHBondContact CG-O 3.4Å; Q191-A196 PolarHBondContact O-N 2.83Å; Q191-S197 PolarHBondContact OE1-OG 3.34Å; Q191-F222 HydrophobicContact CG-CE1 4.01Å; Q191-F222 HydrophobicContact CG-CZ 4.42Å; Q191-L307 HydrophobicContact CB-CD1 3.63Å; Q191-L307 HydrophobicContact CG-CD1 4.34Å; Q191-T311 PolarHBondContact NE2-OG1 3.04Å
192H97.5Very high97.5Very high39 Ų3936 Ų3618%0.18120%0.195CC..Hα-helixtrans-65.6-42.5179-177.373.6000112.5L131 Q140 E188 Y189 M190 L194L131-H192 HydrophobicContact CD1-CB 4.01Å; L131-H192 HydrophobicContact CD2-CB 3.66Å; L131-H192 HydrophobicContact CG-CB 4.41Å; Q140-H192 PolarHBondContact NE2-CD2 2.7Å; Q140-H192 PolarHBondContact NE2-NE2 3.21Å; E188-H192 VanDerWaalsContact O-CB 3.25Å; E188-H192 WeakPolarHBondContact O-CB 3.19Å; E188-H192 PolarHBondContact O-N 2.91Å; Y189-H192 PolarHBondContact O-N 3Å; M190-H192 VanDerWaalsContact C-N 3.33Å; M190-H192 PolarHBondContact O-N 3Å; H192-L194 VanDerWaalsContact C-N 3.32Å; H192-L194 PolarHBondContact O-N 3.32Å
193L96.9Very high97.6Very high17 Ų1737 Ų379%0.08921%0.206CC..Hα-helixtrans-63.2-39175.6-77.5-173.7000112.6I139 Q140 I143 L154 Y189 M190 I244I139-L193 HydrophobicContact CG2-CD2 4.05Å; Q140-L193 HydrophobicContact CG-CD2 3.68Å; I143-L193 HydrophobicContact CD1-CD1 4.49Å; I143-L193 HydrophobicContact CD1-CD2 4.12Å; L154-L193 HydrophobicContact CD2-CD1 4.18Å; Y189-L193 HydrophobicContact CD1-CD1 3.72Å; Y189-L193 HydrophobicContact CD1-CG 3.87Å; Y189-L193 HydrophobicContact CE1-CD1 3.5Å; Y189-L193 HydrophobicContact CE1-CD2 4.16Å; Y189-L193 HydrophobicContact CE1-CG 3.77Å; Y189-L193 WeakPolarHBondContact O-CB 3.35Å; Y189-L193 WeakPolarHBondContact O-CG 3.26Å; Y189-L193 PolarHBondContact O-N 2.8Å; M190-L193 PolarHBondContact O-N 3.04Å; L193-I244 HydrophobicContact CD1-CD1 3.62Å; L193-I244 HydrophobicContact CD1-CG1 4.09Å
194L97Very high97.5Very high27 Ų2741.1 Ų41.114%0.14123%0.231CC..Hα-helixtrans-89-14.5-176.1-63.5-178.7000113.6L151 L154 M190 Q191 H192 A196 F222 V226L151-L194 HydrophobicContact CD1-CD2 3.65Å; L154-L194 HydrophobicContact CD1-CD1 3.58Å; L154-L194 HydrophobicContact CD1-CD2 4.13Å; L154-L194 HydrophobicContact CD1-CG 3.83Å; M190-L194 WeakPolarHBondContact O-CB 3.33Å; M190-L194 WeakPolarHBondContact O-CG 3.48Å; M190-L194 PolarHBondContact O-N 2.88Å; M190-L194 VanDerWaalsContact O-N 3.07Å; Q191-L194 PolarHBondContact O-N 3.27Å; H192-L194 VanDerWaalsContact C-N 3.32Å; H192-L194 PolarHBondContact O-N 3.32Å; L194-A196 PolarHBondContact O-N 2.9Å; L194-F222 HydrophobicContact CB-CD1 4.42Å; L194-F222 HydrophobicContact CD1-CB 3.95Å; L194-F222 HydrophobicContact CD1-CD1 3.52Å; L194-F222 HydrophobicContact CD1-CD2 3.52Å; L194-F222 HydrophobicContact CD1-CE1 3.79Å; L194-F222 HydrophobicContact CD1-CE2 3.8Å; L194-F222 HydrophobicContact CD1-CG 3.37Å; L194-F222 HydrophobicContact CD1-CZ 3.93Å; L194-V226 HydrophobicContact CD1-CB 3.96Å; L194-V226 HydrophobicContact CD1-CG1 3.86Å; L194-V226 HydrophobicContact CD2-CB 4.4Å; L194-V226 HydrophobicContact CD2-CG1 4.3Å; L194-V226 HydrophobicContact CD2-CG2 4.1Å
195G96.1Very high97.5Very high72 Ų7241.3 Ų41.374%0.74223%0.232SC*.THydrogen-bonded Turntrans63.227.9-173.400000113.1Q191Q191-G195 WeakPolarHBondContact O-CA 3.47Å; Q191-G195 PolarHBondContact O-N 2.9Å
196A96.3Very high97.5Very high29 Ų2943.8 Ų43.824%0.2425%0.249CC..SBendtrans-151.8150.6-175.100000111.6Q191 L194 F222 P223Q191-A196 VanDerWaalsContact CA-O 3.27Å; Q191-A196 WeakPolarHBondContact CA-O 3.42Å; Q191-A196 WeakPolarHBondContact CB-O 3.39Å; Q191-A196 WeakPolarHBondContact CG-O 3.4Å; Q191-A196 PolarHBondContact O-N 2.83Å; L194-A196 PolarHBondContact O-N 2.9Å; A196-F222 HydrophobicContact CB-CD1 4.46Å; A196-F222 VanDerWaalsContact O-CE1 3.28Å; A196-F222 WeakPolarHBondContact O-CE1 3.21Å; A196-P223 HydrophobicContact CB-CG 4.27Å
197S97.4Very high97.3Very high30 Ų3045.5 Ų45.521%0.2126%0.257CS..  trans-86.2151.9166.1-66.50000111.2Q191 P223 K310Q191-S197 PolarHBondContact OE1-OG 3.34Å; S197-P223 VanDerWaalsContact O-CD 3.25Å; S197-P223 WeakPolarHBondContact O-CD 3.34Å; S197-K310 WeakPolarHBondContact OG-CG 3.27Å
198P98.3Very high97.1Very high15 Ų1547.4 Ų47.410%0.09727%0.269CS..  trans-66.4141173.529.3-35000111.2L220 N221 F222 I314P198-L220 HydrophobicContact CB-CB 4.08Å; P198-L220 HydrophobicContact CB-CD2 4.46Å; P198-L220 HydrophobicContact CG-CD2 4.2Å; P198-N221 CarbonylContact C-O 3.49Å; P198-N221 VanDerWaalsContact CA-O 3.24Å; P198-N221 WeakPolarHBondContact CA-O 3.31Å; P198-N221 WeakPolarHBondContact CB-O 3.24Å; P198-F222 HydrophobicContact CB-CD1 4.41Å; P198-F222 HydrophobicContact CB-CE1 4.31Å; P198-F222 HydrophobicContact CB-CZ 4.4Å; P198-I314 HydrophobicContact CG-CD1 3.56Å
199E97.2Very high96.8Very high152 Ų15256.6 Ų56.671%0.7131%0.312SS*.SBendtrans-84.1-29.9175.7-65.6-179.6152.100111.6N221 P223E199-N221 PolarHBondContact N-O 2.92Å; E199-P223 HydrophobicContact CG-CB 4.29Å; E199-P223 HydrophobicContact CG-CG 3.69Å; E199-P223 WeakPolarHBondContact OE1-CB 3.42Å
200E97.9Very high96.5Very high121 Ų12160.8 Ų60.857%0.56536%0.355SS*.EExtended strand (participates in β ladder)trans-135.4143.2176.5-174.5-173.3-171.700109.5N221E200-N221 HydrophobicContact CB-CB 4.16Å; E200-N221 PolarHBondContact N-O 3.37Å; E200-N221 PolarHBondContact O-N 2.86Å; E200-N221 PolarHBondContact OE2-ND2 2.98Å
201F98Very high96.3Very high66 Ų6663.9 Ų63.929%0.28937%0.37SS..EExtended strand (participates in β ladder)trans-146.2149.7173.557.4-91000111.1T219 L220 I314 A317 I318F201-T219 CarbonylContact C-O 3.54Å; F201-T219 VanDerWaalsContact CA-O 3.23Å; F201-T219 WeakPolarHBondContact CA-O 3.46Å; F201-L220 HydrophobicContact CB-CD2 3.65Å; F201-I314 HydrophobicContact CD1-CG1 3.93Å; F201-I314 HydrophobicContact CD1-CG2 4.28Å; F201-I314 HydrophobicContact CD2-CG2 3.97Å; F201-I314 HydrophobicContact CE1-CB 4.42Å; F201-I314 HydrophobicContact CE1-CG1 3.73Å; F201-I314 HydrophobicContact CE1-CG2 4.47Å; F201-I314 HydrophobicContact CE2-CG2 4.16Å; F201-I314 HydrophobicContact CG-CG2 4.03Å; F201-I314 HydrophobicContact CZ-CB 4.39Å; F201-I314 HydrophobicContact CZ-CG1 4.16Å; F201-I314 HydrophobicContact CZ-CG2 4.41Å; F201-A317 HydrophobicContact CE2-CB 3.76Å; F201-A317 HydrophobicContact CZ-CB 3.76Å; F201-I318 HydrophobicContact CD2-CD1 4.2Å; F201-I318 HydrophobicContact CD2-CG1 3.99Å; F201-I318 HydrophobicContact CE2-CG1 4.13Å
202K97.4Very high96.2Very high155 Ų15563.8 Ų63.867%0.67437%0.369SS*.EExtended strand (participates in β ladder)trans-138.1128.1172.1-173.3174-179.2178.10109.5V218 T219K202-V218 CarbonylContact O-C 3.55Å; K202-V218 WeakPolarHBondContact O-CA 3.28Å; K202-T219 PolarHBondContact N-O 2.87Å; K202-T219 PolarHBondContact O-N 3.28Å
203G96.9Very high96.2Very high24 Ų2461.9 Ų61.925%0.24736%0.361CS..EExtended strand (participates in β ladder)trans-116.9140.6176.300000111.4Q217G203-Q217 CarbonylContact C-O 3.53Å; G203-Q217 WeakPolarHBondContact CA-O 3.34Å
204T96.4Very high96.1Very high87 Ų8761.2 Ų61.253%0.53436%0.357SS..EExtended strand (participates in β ladder)trans-118.8126.7165.6-550000107.6A216 Q217T204-A216 WeakPolarHBondContact O-CA 3.49Å; T204-Q217 PolarHBondContact N-O 2.82Å; T204-Q217 PolarHBondContact O-N 3.36Å
205L96.9Very high96.1Very high7 Ų762 Ų624%0.03736%0.36CS..EExtended strand (participates in β ladder)trans-115.7138.4179-61.7-174.8000108.8F179 F207 D213 Q215 A216 I318 Y319 Y322F179-L205 HydrophobicContact CB-CD2 3.82Å; F179-L205 HydrophobicContact CD1-CD2 4.21Å; F179-L205 HydrophobicContact CG-CD2 4.04Å; L205-F207 HydrophobicContact CB-CD2 4.06Å; L205-F207 HydrophobicContact CB-CE2 3.31Å; L205-F207 HydrophobicContact CB-CZ 3.9Å; L205-F207 HydrophobicContact CD1-CE2 3.94Å; L205-F207 HydrophobicContact CD1-CZ 3.69Å; L205-F207 HydrophobicContact CG-CE2 4.28Å; L205-F207 HydrophobicContact CG-CZ 4.47Å; L205-D213 HydrophobicContact CB-CB 4.13Å; L205-Q215 WeakPolarHBondContact CA-O 3.48Å; L205-A216 HydrophobicContact CD2-CB 3.4Å; L205-A216 VanDerWaalsContact CD2-CB 3.4Å; L205-I318 HydrophobicContact CD1-CG2 3.98Å; L205-I318 HydrophobicContact CD2-CG2 4.11Å; L205-I318 HydrophobicContact CG-CG2 3.94Å; L205-Y319 HydrophobicContact CD1-CD1 3.84Å; L205-Y319 HydrophobicContact CD1-CD2 4.41Å; L205-Y319 HydrophobicContact CD1-CE1 3.77Å; L205-Y319 HydrophobicContact CD1-CE2 4.33Å; L205-Y319 HydrophobicContact CD1-CG 4.17Å; L205-Y322 VanDerWaalsContact O-CE2 3.3Å; L205-Y322 WeakPolarHBondContact O-CE2 3.35Å
206T96.1Very high96.2Very high71 Ų7158.7 Ų58.744%0.43633%0.326SS..EExtended strand (participates in β ladder)trans-109.5118.5176.8-57.30000109.3D213 A214 Q215T206-D213 CarbonylContact O-C 3.56Å; T206-D213 VanDerWaalsContact O-CA 3.27Å; T206-D213 WeakPolarHBondContact O-CA 3.39Å; T206-A214 PolarHBondContact O-N 3.04Å; T206-Q215 PolarHBondContact N-O 2.84Å; T206-Q215 PolarHBondContact O-N 3.07Å
207F95.1Very high96.3Very high38 Ų3860.7 Ų60.717%0.16733%0.33CS..  trans-110.1118.9-178.8-63.9-101.8000109.9L172 L205 Q211 S212 D213 Y319 Y322L172-F207 HydrophobicContact CD1-CE1 4.19Å; L172-F207 HydrophobicContact CD2-CE1 4.29Å; L205-F207 HydrophobicContact CB-CD2 4.06Å; L205-F207 HydrophobicContact CB-CE2 3.31Å; L205-F207 HydrophobicContact CB-CZ 3.9Å; L205-F207 HydrophobicContact CD1-CE2 3.94Å; L205-F207 HydrophobicContact CD1-CZ 3.69Å; L205-F207 HydrophobicContact CG-CE2 4.28Å; L205-F207 HydrophobicContact CG-CZ 4.47Å; F207-Q211 WeakPolarHBondContact CD1-O 3.33Å; F207-S212 VanDerWaalsContact CD1-C 3.43Å; F207-D213 HydrophobicContact CD1-CB 4.04Å; F207-D213 HydrophobicContact CD2-CB 4.39Å; F207-D213 HydrophobicContact CE1-CB 3.78Å; F207-D213 HydrophobicContact CE2-CB 4.21Å; F207-D213 HydrophobicContact CG-CB 4.35Å; F207-D213 HydrophobicContact CZ-CB 3.89Å; F207-Y319 HydrophobicContact CE1-CE1 4.29Å; F207-Y319 HydrophobicContact CZ-CD1 4.23Å; F207-Y319 HydrophobicContact CZ-CE1 4.08Å; F207-Y322 HydrophobicContact CB-CE1 4.43Å; F207-Y322 AromaticContact CD2-CD1 3.62Å; F207-Y322 HydrophobicContact CD2-CD1 3.62Å; F207-Y322 HydrophobicContact CD2-CD2 4.09Å; F207-Y322 AromaticContact CD2-CE1 3.15Å; F207-Y322 HydrophobicContact CD2-CE1 3.15Å; F207-Y322 AromaticContact CD2-CE2 3.67Å; F207-Y322 HydrophobicContact CD2-CE2 3.67Å; F207-Y322 HydrophobicContact CD2-CG 4.07Å; F207-Y322 AromaticContact CD2-CZ 3.18Å; F207-Y322 AromaticContact CE2-CD1 3.2Å; F207-Y322 HydrophobicContact CE2-CD1 3.2Å; F207-Y322 AromaticContact CE2-CD2 3.73Å; F207-Y322 HydrophobicContact CE2-CD2 3.73Å; F207-Y322 AromaticContact CE2-CE1 3.32Å; F207-Y322 HydrophobicContact CE2-CE1 3.32Å; F207-Y322 AromaticContact CE2-CE2 3.82Å; F207-Y322 HydrophobicContact CE2-CE2 3.82Å; F207-Y322 AromaticContact CE2-CG 3.42Å; F207-Y322 HydrophobicContact CE2-CG 3.42Å; F207-Y322 VanDerWaalsContact CE2-CG 3.42Å; F207-Y322 AromaticContact CE2-CZ 3.63Å; F207-Y322 HydrophobicContact CG-CD1 4.49Å; F207-Y322 AromaticContact CG-CE1 3.87Å; F207-Y322 HydrophobicContact CG-CE1 3.87Å; F207-Y322 AromaticContact CZ-CD1 3.87Å; F207-Y322 HydrophobicContact CZ-CD1 3.87Å; F207-Y322 HydrophobicContact CZ-CE1 4.21Å; F207-Y322 HydrophobicContact CZ-CG 4.24Å
208P93.6Very high96.4Very high41 Ų4159.3 Ų59.327%0.26632%0.321SS..  trans-59.5151.7160.1-18.732.2000110.3G210 Q211 S212 A214P208-G210 PolarHBondContact O-N 2.9Å; P208-Q211 HydrophobicContact CB-CB 4.14Å; P208-Q211 HydrophobicContact CB-CG 4.33Å; P208-Q211 HydrophobicContact CG-CB 4.47Å; P208-Q211 PolarHBondContact O-N 2.83Å; P208-S212 WeakPolarHBondContact CD-O 3.4Å; P208-A214 HydrophobicContact CG-CB 3.71Å
209E92.9Very high96.4Very high193 Ų19361.1 Ų61.190%0.90233%0.331SS*.THydrogen-bonded Turntrans-55.1126.4-177.4-172.4176.7-174.200111.6Q211E209-Q211 PolarHBondContact O-N 3.33Å
210G92.5Very high96.4Very high88 Ų8853.9 Ų53.991%0.90730%0.298SS*.THydrogen-bonded Turntrans70.58.3179.200000115.5P208P208-G210 PolarHBondContact O-N 2.9Å
211Q94.7Very high96.5Very high65 Ų6550.7 Ų50.730%0.30428%0.284SS..SBendtrans-116.8170.7-176.5-61178.93700112.1R170 F207 P208 E209R170-Q211 HydrophobicContact CB-CB 4.42Å; R170-Q211 HydrophobicContact CB-CG 4.33Å; R170-Q211 VanDerWaalsContact CD-OE1 3.23Å; R170-Q211 CarbonylContact O-C 3.56Å; R170-Q211 VanDerWaalsContact O-CA 3.3Å; R170-Q211 WeakPolarHBondContact O-CA 3.31Å; F207-Q211 WeakPolarHBondContact CD1-O 3.33Å; P208-Q211 HydrophobicContact CB-CB 4.14Å; P208-Q211 HydrophobicContact CB-CG 4.33Å; P208-Q211 HydrophobicContact CG-CB 4.47Å; P208-Q211 PolarHBondContact O-N 2.83Å; E209-Q211 PolarHBondContact O-N 3.33Å
212S95.6Very high96.5Very high2 Ų247.9 Ų47.91%0.01427%0.272CS..  trans-70.2173.8163.864.10000111.9F169 R170 G176 G177 F207 P208 A214F169-S212 PolarHBondContact O-OG 3.26Å; R170-S212 VanDerWaalsContact CA-OG 3.3Å; R170-S212 WeakPolarHBondContact CA-OG 3.34Å; R170-S212 PolarHBondContact O-N 2.59Å; R170-S212 PolarHBondContact O-OG 3.5Å; G176-S212 WeakPolarHBondContact O-CB 2.99Å; G177-S212 WeakPolarHBondContact CA-OG 3.25Å; G177-S212 PolarHBondContact N-OG 3.45Å; F207-S212 VanDerWaalsContact CD1-C 3.43Å; P208-S212 WeakPolarHBondContact CD-O 3.4Å; S212-A214 PolarHBondContact O-N 3.34Å
213D96.5Very high96.5Very high0 Ų043.8 Ų43.80%026%0.261CS..  trans-65.3126.9-179.353.7-68.6000112.1G177 V178 F179 L205 T206 F207 Y319G177-D213 WeakPolarHBondContact CA-OD1 3.3Å; V178-D213 WeakPolarHBondContact CG1-OD2 3.5Å; V178-D213 PolarHBondContact N-O 2.85Å; V178-D213 PolarHBondContact N-OD2 3.2Å; V178-D213 VanDerWaalsContact N-OD2 3.07Å; F179-D213 WeakPolarHBondContact CB-OD2 3.38Å; F179-D213 PolarHBondContact N-OD2 3Å; L205-D213 HydrophobicContact CB-CB 4.13Å; T206-D213 CarbonylContact O-C 3.56Å; T206-D213 VanDerWaalsContact O-CA 3.27Å; T206-D213 WeakPolarHBondContact O-CA 3.39Å; F207-D213 HydrophobicContact CD1-CB 4.04Å; F207-D213 HydrophobicContact CD2-CB 4.39Å; F207-D213 HydrophobicContact CE1-CB 3.78Å; F207-D213 HydrophobicContact CE2-CB 4.21Å; F207-D213 HydrophobicContact CG-CB 4.35Å; F207-D213 HydrophobicContact CZ-CB 3.89Å; D213-Y319 VanDerWaalsContact CG-OH 3.29Å; D213-Y319 VanDerWaalsContact OD1-CE1 3.25Å; D213-Y319 WeakPolarHBondContact OD1-CE1 3.25Å; D213-Y319 VanDerWaalsContact OD1-CZ 3.25Å; D213-Y319 PolarHBondContact OD1-OH 2.83Å; D213-Y319 PolarHBondContact OD2-OH 2.99Å
214A96.2Very high96.4Very high2 Ų246.7 Ų46.72%0.01727%0.271CS..SBendtrans-87.5-25.6173.400000112T206 P208 S212 T233 V234T206-A214 PolarHBondContact O-N 3.04Å; P208-A214 HydrophobicContact CG-CB 3.71Å; S212-A214 PolarHBondContact O-N 3.34Å; A214-T233 CarbonylContact O-C 3.58Å; A214-T233 WeakPolarHBondContact O-CA 3.44Å; A214-V234 HydrophobicContact CB-CG2 3.8Å; A214-V234 PolarHBondContact O-N 3.35Å
215Q97Very high96.4Very high45 Ų4545.1 Ų45.121%0.2127%0.272CS..EExtended strand (participates in β ladder)trans-139.8150.7178.6-51.7-171.3-1000111.5L205 T206 L232 T233 D235L205-Q215 WeakPolarHBondContact CA-O 3.48Å; T206-Q215 PolarHBondContact N-O 2.84Å; T206-Q215 PolarHBondContact O-N 3.07Å; Q215-L232 CarbonylContact C-O 3.45Å; Q215-L232 VanDerWaalsContact CA-O 3.24Å; Q215-L232 WeakPolarHBondContact CA-O 3.43Å; Q215-T233 PolarHBondContact NE2-OG1 3.27Å; Q215-D235 VanDerWaalsContact CG-OD2 3.3Å; Q215-D235 WeakPolarHBondContact CG-OD2 3.29Å; Q215-D235 PolarHBondContact NE2-OD2 3.32Å
216A97.9Very high96.5Very high2 Ų244.9 Ų44.92%0.01727%0.271CS..EExtended strand (participates in β ladder)trans-141.6135.9174.900000110.5V178 F179 T204 L205 F231 L232V178-A216 HydrophobicContact CG1-CB 4.18Å; F179-A216 HydrophobicContact CB-CB 3.84Å; F179-A216 HydrophobicContact CD2-CB 4.03Å; F179-A216 HydrophobicContact CG-CB 4.18Å; T204-A216 WeakPolarHBondContact O-CA 3.49Å; L205-A216 HydrophobicContact CD2-CB 3.4Å; L205-A216 VanDerWaalsContact CD2-CB 3.4Å; A216-F231 CarbonylContact O-C 3.53Å; A216-F231 WeakPolarHBondContact O-CA 3.4Å; A216-F231 WeakPolarHBondContact O-CD2 3.28Å; A216-L232 HydrophobicContact CB-CB 4.2Å; A216-L232 HydrophobicContact CB-CD1 4.2Å; A216-L232 HydrophobicContact CB-CG 4.48Å; A216-L232 PolarHBondContact N-O 2.88Å; A216-L232 PolarHBondContact O-N 3.02Å
217Q98Very high96.6Very high71 Ų7145 Ų4533%0.33227%0.268SS..EExtended strand (participates in β ladder)trans-123.2124.5167.1177.864.218.700108.5G203 T204 I230 F231G203-Q217 CarbonylContact C-O 3.53Å; G203-Q217 WeakPolarHBondContact CA-O 3.34Å; T204-Q217 PolarHBondContact N-O 2.82Å; T204-Q217 PolarHBondContact O-N 3.36Å; Q217-I230 CarbonylContact C-O 3.58Å; Q217-I230 WeakPolarHBondContact CA-O 3.47Å; Q217-I230 PolarHBondContact OE1-O 2.85Å; Q217-F231 HydrophobicContact CB-CD2 4.43Å; Q217-F231 VanDerWaalsContact OE1-CB 3.23Å; Q217-F231 VanDerWaalsContact OE1-CD2 3.3Å
218V98.6Very high96.8Very high1 Ų143.2 Ų43.21%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-127.1134.9179.1-173.80000110.1F179 K202 L220 T229 I230 I318F179-V218 HydrophobicContact CD2-CG2 4.14Å; F179-V218 HydrophobicContact CE2-CG2 3.55Å; F179-V218 HydrophobicContact CZ-CG2 3.87Å; K202-V218 CarbonylContact O-C 3.55Å; K202-V218 WeakPolarHBondContact O-CA 3.28Å; V218-L220 HydrophobicContact CG1-CD2 3.67Å; V218-L220 HydrophobicContact CG1-CG 4.25Å; V218-T229 CarbonylContact O-C 3.52Å; V218-T229 VanDerWaalsContact O-CA 3.31Å; V218-T229 WeakPolarHBondContact O-CA 3.25Å; V218-I230 HydrophobicContact CB-CB 4.25Å; V218-I230 PolarHBondContact N-O 2.96Å; V218-I230 PolarHBondContact O-N 2.78Å; V218-I318 HydrophobicContact CG1-CD1 3.87Å; V218-I318 HydrophobicContact CG2-CD1 4.02Å
219T98.7Very high97Very high53 Ų5342 Ų4233%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-112137.6168.8-58.40000109.1F201 K202 I227 G228F201-T219 CarbonylContact C-O 3.54Å; F201-T219 VanDerWaalsContact CA-O 3.23Å; F201-T219 WeakPolarHBondContact CA-O 3.46Å; K202-T219 PolarHBondContact N-O 2.87Å; K202-T219 PolarHBondContact O-N 3.28Å; T219-I227 HydrophobicContact CG2-CG2 4.09Å; T219-G228 CarbonylContact C-O 3.46Å; T219-G228 WeakPolarHBondContact CA-O 3.15Å
220L98.7Very high97.3Very high0 Ų032.9 Ų32.90%021%0.21CC..EExtended strand (participates in β ladder)trans-127132.9-177.2-53.1174.3000108.9L187 M190 P198 F201 V218 F222 I227 G228 I230L187-L220 HydrophobicContact CD1-CD1 3.62Å; L187-L220 HydrophobicContact CD1-CD2 4.05Å; M190-L220 HydrophobicContact SD-CD1 3.9Å; P198-L220 HydrophobicContact CB-CB 4.08Å; P198-L220 HydrophobicContact CB-CD2 4.46Å; P198-L220 HydrophobicContact CG-CD2 4.2Å; F201-L220 HydrophobicContact CB-CD2 3.65Å; V218-L220 HydrophobicContact CG1-CD2 3.67Å; V218-L220 HydrophobicContact CG1-CG 4.25Å; L220-F222 HydrophobicContact CB-CD2 4.42Å; L220-F222 HydrophobicContact CB-CE2 3.8Å; L220-F222 HydrophobicContact CB-CZ 4.41Å; L220-F222 HydrophobicContact CD1-CE2 4.19Å; L220-F222 HydrophobicContact CD1-CZ 4.21Å; L220-I227 CarbonylContact O-C 3.56Å; L220-I227 WeakPolarHBondContact O-CA 3.38Å; L220-G228 PolarHBondContact N-O 3.19Å; L220-G228 PolarHBondContact O-N 3.46Å; L220-I230 HydrophobicContact CD1-CD1 3.95Å
221N98.7Very high97.6Very high53 Ų5331 Ų3128%0.28318%0.176SC..EExtended strand (participates in β ladder)trans-111.9120.4172.2-64.5-34.7000108.9P198 E199 E200P198-N221 CarbonylContact C-O 3.49Å; P198-N221 VanDerWaalsContact CA-O 3.24Å; P198-N221 WeakPolarHBondContact CA-O 3.31Å; P198-N221 WeakPolarHBondContact CB-O 3.24Å; E199-N221 PolarHBondContact N-O 2.92Å; E200-N221 HydrophobicContact CB-CB 4.16Å; E200-N221 PolarHBondContact N-O 3.37Å; E200-N221 PolarHBondContact O-N 2.86Å; E200-N221 PolarHBondContact OE2-ND2 2.98Å
222F98.6Very high97.8Very high7 Ų727.9 Ų27.93%0.03116%0.162CC..  trans-95.9153.1179.8-69.8-94.2000111.8M190 Q191 L194 A196 P198 L220 N224 G225 V226M190-F222 HydrophobicContact CB-CE2 4.41Å; M190-F222 HydrophobicContact CB-CZ 3.89Å; Q191-F222 HydrophobicContact CG-CE1 4.01Å; Q191-F222 HydrophobicContact CG-CZ 4.42Å; L194-F222 HydrophobicContact CB-CD1 4.42Å; L194-F222 HydrophobicContact CD1-CB 3.95Å; L194-F222 HydrophobicContact CD1-CD1 3.52Å; L194-F222 HydrophobicContact CD1-CD2 3.52Å; L194-F222 HydrophobicContact CD1-CE1 3.79Å; L194-F222 HydrophobicContact CD1-CE2 3.8Å; L194-F222 HydrophobicContact CD1-CG 3.37Å; L194-F222 HydrophobicContact CD1-CZ 3.93Å; A196-F222 HydrophobicContact CB-CD1 4.46Å; A196-F222 VanDerWaalsContact O-CE1 3.28Å; A196-F222 WeakPolarHBondContact O-CE1 3.21Å; P198-F222 HydrophobicContact CB-CD1 4.41Å; P198-F222 HydrophobicContact CB-CE1 4.31Å; P198-F222 HydrophobicContact CB-CZ 4.4Å; L220-F222 HydrophobicContact CB-CD2 4.42Å; L220-F222 HydrophobicContact CB-CE2 3.8Å; L220-F222 HydrophobicContact CB-CZ 4.41Å; L220-F222 HydrophobicContact CD1-CE2 4.19Å; L220-F222 HydrophobicContact CD1-CZ 4.21Å; F222-N224 WeakPolarHBondContact CB-OD1 3.23Å; F222-N224 PolarHBondContact O-N 3.17Å; F222-G225 PolarHBondContact O-N 2.82Å; F222-V226 HydrophobicContact CB-CB 4.42Å; F222-V226 WeakPolarHBondContact CB-O 3.49Å; F222-V226 WeakPolarHBondContact CD2-O 3.32Å; F222-V226 PolarHBondContact N-O 3.46Å
223P97.4Very high97.9Very high69 Ų6927.8 Ų27.845%0.44816%0.161SC..THydrogen-bonded Turntrans-55.9-28.2-177.8-20.423.3000114.6A196 S197 E199 G225A196-P223 HydrophobicContact CB-CG 4.27Å; S197-P223 VanDerWaalsContact O-CD 3.25Å; S197-P223 WeakPolarHBondContact O-CD 3.34Å; E199-P223 HydrophobicContact CG-CB 4.29Å; E199-P223 HydrophobicContact CG-CG 3.69Å; E199-P223 WeakPolarHBondContact OE1-CB 3.42Å; P223-G225 PolarHBondContact O-N 2.92Å
224N93.9Very high97.9Very high86 Ų8628.1 Ų28.146%0.4616%0.163SC..THydrogen-bonded Turntrans-82.76.8179.464.1-1.3000113.6F222 V226F222-N224 WeakPolarHBondContact CB-OD1 3.23Å; F222-N224 PolarHBondContact O-N 3.17Å; N224-V226 VanDerWaalsContact C-N 3.28Å; N224-V226 PolarHBondContact O-N 3.34Å; N224-V226 VanDerWaalsContact OD1-CB 3.32Å; N224-V226 WeakPolarHBondContact OD1-CB 3.4Å; N224-V226 WeakPolarHBondContact OD1-CG2 3.2Å; N224-V226 PolarHBondContact OD1-N 2.76Å; N224-V226 VanDerWaalsContact OD1-N 3.12Å
225G97Very high97.7Very high53 Ų5332.2 Ų32.255%0.54619%0.185SC..SBendtrans78.95.1-178.700000114.6F222 P223F222-G225 PolarHBondContact O-N 2.82Å; P223-G225 PolarHBondContact O-N 2.92Å
226V98.7Very high97.6Very high2 Ų233.7 Ų33.71%0.01219%0.194CC..  trans-72.7135.5170.8178.20000109.1L151 L154 L194 F222 N224L151-V226 HydrophobicContact CB-CG2 3.84Å; L151-V226 WeakPolarHBondContact O-CG2 3.46Å; L154-V226 HydrophobicContact CD1-CG1 3.94Å; L154-V226 HydrophobicContact CG-CG1 4.13Å; L194-V226 HydrophobicContact CD1-CB 3.96Å; L194-V226 HydrophobicContact CD1-CG1 3.86Å; L194-V226 HydrophobicContact CD2-CB 4.4Å; L194-V226 HydrophobicContact CD2-CG1 4.3Å; L194-V226 HydrophobicContact CD2-CG2 4.1Å; F222-V226 HydrophobicContact CB-CB 4.42Å; F222-V226 WeakPolarHBondContact CB-O 3.49Å; F222-V226 WeakPolarHBondContact CD2-O 3.32Å; F222-V226 PolarHBondContact N-O 3.46Å; N224-V226 VanDerWaalsContact C-N 3.28Å; N224-V226 PolarHBondContact O-N 3.34Å; N224-V226 VanDerWaalsContact OD1-CB 3.32Å; N224-V226 WeakPolarHBondContact OD1-CB 3.4Å; N224-V226 WeakPolarHBondContact OD1-CG2 3.2Å; N224-V226 PolarHBondContact OD1-N 2.76Å; N224-V226 VanDerWaalsContact OD1-N 3.12Å
227I98.7Very high97.5Very high75 Ų7540 Ų4039%0.38523%0.227SC..EExtended strand (participates in β ladder)trans-98.3140.8171.7-59.2173.7000108.6R152 W153 L154 T219 L220R152-I227 PolarHBondContact O-N 3.02Å; R152-I227 VanDerWaalsContact O-N 3.15Å; W153-I227 CarbonylContact C-O 3.5Å; W153-I227 VanDerWaalsContact CA-O 3.3Å; W153-I227 WeakPolarHBondContact CA-O 3.4Å; W153-I227 VanDerWaalsContact CD1-O 3.28Å; L154-I227 PolarHBondContact N-O 3.22Å; T219-I227 HydrophobicContact CG2-CG2 4.09Å; L220-I227 CarbonylContact O-C 3.56Å; L220-I227 WeakPolarHBondContact O-CA 3.38Å
228G98.8Very high97.4Very high0 Ų039.6 Ų39.60%023%0.227CC..EExtended strand (participates in β ladder)trans-114.6140.5170.300000111.3L154 T219 L220L154-G228 CarbonylContact O-C 3.5Å; L154-G228 WeakPolarHBondContact O-CA 3.33Å; T219-G228 CarbonylContact C-O 3.46Å; T219-G228 WeakPolarHBondContact CA-O 3.15Å; L220-G228 PolarHBondContact N-O 3.19Å; L220-G228 PolarHBondContact O-N 3.46Å
229T98.8Very high97.2Very high16 Ų1644.3 Ų44.310%0.09826%0.26CS..EExtended strand (participates in β ladder)trans-127.7133.4170.2490000110.8W153 L154 D155 S156 M190 V218W153-T229 WeakPolarHBondContact CZ2-OG1 3.27Å; W153-T229 PolarHBondContact NE1-OG1 3.27Å; L154-T229 PolarHBondContact O-N 3.05Å; L154-T229 PolarHBondContact O-OG1 2.98Å; D155-T229 PolarHBondContact OD1-OG1 2.95Å; S156-T229 PolarHBondContact N-O 3.21Å; M190-T229 WeakPolarHBondContact CE-O 3.45Å; V218-T229 CarbonylContact O-C 3.52Å; V218-T229 VanDerWaalsContact O-CA 3.31Å; V218-T229 WeakPolarHBondContact O-CA 3.25Å
230I98.8Very high97.1Very high1 Ų144.1 Ų44.11%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-125120.2176.7-58.8167.2000107.4S156 P186 L187 M190 Q217 V218 L220 L232S156-I230 WeakPolarHBondContact O-CA 3.42Å; P186-I230 HydrophobicContact CB-CD1 4.1Å; P186-I230 HydrophobicContact CB-CG1 4.04Å; P186-I230 HydrophobicContact CB-CG2 4.37Å; P186-I230 HydrophobicContact CG-CD1 3.96Å; P186-I230 HydrophobicContact CG-CG1 4.08Å; P186-I230 HydrophobicContact CG-CG2 3.63Å; L187-I230 HydrophobicContact CB-CD1 4.1Å; M190-I230 HydrophobicContact CE-CD1 4.45Å; M190-I230 HydrophobicContact CE-CG1 3.72Å; M190-I230 HydrophobicContact SD-CD1 4.34Å; M190-I230 HydrophobicContact SD-CG1 4.14Å; Q217-I230 CarbonylContact C-O 3.58Å; Q217-I230 WeakPolarHBondContact CA-O 3.47Å; Q217-I230 PolarHBondContact OE1-O 2.85Å; V218-I230 HydrophobicContact CB-CB 4.25Å; V218-I230 PolarHBondContact N-O 2.96Å; V218-I230 PolarHBondContact O-N 2.78Å; L220-I230 HydrophobicContact CD1-CD1 3.95Å; I230-L232 HydrophobicContact CG2-CD1 4.34Å; I230-L232 HydrophobicContact CG2-CD2 3.96Å; I230-L232 HydrophobicContact CG2-CG 3.92Å
231F98.7Very high97.1Very high47 Ų4747.7 Ų47.721%0.20627%0.268CS..EExtended strand (participates in β ladder)trans-114.8128.1169.5-176.4-118000110.2S156 V157 T158 A216 Q217 T233 L236 L238S156-F231 PolarHBondContact O-N 3.05Å; V157-F231 WeakPolarHBondContact CA-O 3.35Å; V157-F231 HydrophobicContact CG1-CD1 4.12Å; V157-F231 HydrophobicContact CG2-CB 4.19Å; T158-F231 PolarHBondContact N-O 3.47Å; A216-F231 CarbonylContact O-C 3.53Å; A216-F231 WeakPolarHBondContact O-CA 3.4Å; A216-F231 WeakPolarHBondContact O-CD2 3.28Å; Q217-F231 HydrophobicContact CB-CD2 4.43Å; Q217-F231 VanDerWaalsContact OE1-CB 3.23Å; Q217-F231 VanDerWaalsContact OE1-CD2 3.3Å; F231-T233 HydrophobicContact CE1-CG2 3.77Å; F231-T233 HydrophobicContact CZ-CG2 4.17Å; F231-L236 HydrophobicContact CE1-CD1 4.18Å; F231-L236 HydrophobicContact CZ-CD1 4.2Å; F231-L238 HydrophobicContact CD1-CD1 4.25Å; F231-L238 HydrophobicContact CE1-CD1 3.81Å
232L98.3Very high97.1Very high0 Ų045.1 Ų45.10%026%0.255CS..EExtended strand (participates in β ladder)trans-127.8142177.4-50.8172.2000109.5T158 V178 F179 A182 Q215 A216 I230T158-L232 VanDerWaalsContact O-CA 3.31Å; T158-L232 WeakPolarHBondContact O-CA 3.46Å; V178-L232 HydrophobicContact CB-CB 4.42Å; V178-L232 HydrophobicContact CG1-CB 3.82Å; V178-L232 HydrophobicContact CG2-CB 3.77Å; F179-L232 HydrophobicContact CB-CD1 4.39Å; F179-L232 HydrophobicContact CD2-CD1 3.76Å; A182-L232 HydrophobicContact CB-CD1 4.49Å; A182-L232 HydrophobicContact CB-CD2 4.28Å; Q215-L232 CarbonylContact C-O 3.45Å; Q215-L232 VanDerWaalsContact CA-O 3.24Å; Q215-L232 WeakPolarHBondContact CA-O 3.43Å; A216-L232 HydrophobicContact CB-CB 4.2Å; A216-L232 HydrophobicContact CB-CD1 4.2Å; A216-L232 HydrophobicContact CB-CG 4.48Å; A216-L232 PolarHBondContact N-O 2.88Å; A216-L232 PolarHBondContact O-N 3.02Å; I230-L232 HydrophobicContact CG2-CD1 4.34Å; I230-L232 HydrophobicContact CG2-CD2 3.96Å; I230-L232 HydrophobicContact CG2-CG 3.92Å
233T97.8Very high97.1Very high0 Ų045.5 Ų45.50%026%0.257CS..EExtended strand (participates in β ladder)trans-153.9148.1177.8-179.90000111.9T158 A159 Y160 A214 Q215 F231 D235 L236 L238T158-T233 PolarHBondContact O-N 3.5Å; T158-T233 VanDerWaalsContact O-N 3.08Å; A159-T233 CarbonylContact C-O 3.57Å; A159-T233 VanDerWaalsContact CA-O 3.26Å; A159-T233 WeakPolarHBondContact CA-O 3.4Å; A159-T233 HydrophobicContact CB-CG2 3.79Å; Y160-T233 PolarHBondContact N-O 2.9Å; A214-T233 CarbonylContact O-C 3.58Å; A214-T233 WeakPolarHBondContact O-CA 3.44Å; Q215-T233 PolarHBondContact NE2-OG1 3.27Å; F231-T233 HydrophobicContact CE1-CG2 3.77Å; F231-T233 HydrophobicContact CZ-CG2 4.17Å; T233-D235 PolarHBondContact OG1-N 2.92Å; T233-L236 HydrophobicContact CG2-CB 3.78Å; T233-L236 HydrophobicContact CG2-CD1 4.24Å; T233-L236 HydrophobicContact CG2-CG 4.2Å; T233-L236 PolarHBondContact OG1-N 3.3Å; T233-L238 HydrophobicContact CG2-CD1 4.17Å
234V96.5Very high97.2Very high7 Ų742.2 Ų42.24%0.04224%0.235CC..SBendtrans-110.3-0.2166.5-52.70000112.7Y160 P161 I163 F169 V178 A214Y160-V234 WeakPolarHBondContact O-CA 3.41Å; Y160-V234 WeakPolarHBondContact O-CB 3.23Å; P161-V234 WeakPolarHBondContact CA-O 3.48Å; I163-V234 HydrophobicContact CB-CB 4.35Å; I163-V234 HydrophobicContact CB-CG1 4.13Å; I163-V234 HydrophobicContact CG1-CG1 4.33Å; I163-V234 HydrophobicContact CG2-CB 3.87Å; I163-V234 HydrophobicContact CG2-CG1 3.95Å; I163-V234 HydrophobicContact CG2-CG2 4.21Å; F169-V234 HydrophobicContact CE1-CG1 3.76Å; F169-V234 HydrophobicContact CE1-CG2 4.48Å; F169-V234 HydrophobicContact CZ-CG1 3.67Å; V178-V234 HydrophobicContact CB-CG1 4.07Å; V178-V234 HydrophobicContact CG2-CG1 3.81Å; A214-V234 HydrophobicContact CB-CG2 3.8Å; A214-V234 PolarHBondContact O-N 3.35Å
235D92.2Very high97.4Very high88 Ų8841.1 Ų41.147%0.47123%0.225SC..SBendtrans-102.4-13.3-175.3-49.8-51.2000113Q215 T233Q215-D235 VanDerWaalsContact CG-OD2 3.3Å; Q215-D235 WeakPolarHBondContact CG-OD2 3.29Å; Q215-D235 PolarHBondContact NE2-OD2 3.32Å; T233-D235 PolarHBondContact OG1-N 2.92Å
236L95.2Very high97.5Very high76 Ų7639.2 Ų39.240%0.39821%0.205SC..SBendtrans-115.2150.9-178.5-54.5175.8000110.9A159 F231 T233 L238A159-L236 WeakPolarHBondContact CB-O 3.36Å; F231-L236 HydrophobicContact CE1-CD1 4.18Å; F231-L236 HydrophobicContact CZ-CD1 4.2Å; T233-L236 HydrophobicContact CG2-CB 3.78Å; T233-L236 HydrophobicContact CG2-CD1 4.24Å; T233-L236 HydrophobicContact CG2-CG 4.2Å; T233-L236 PolarHBondContact OG1-N 3.3Å; L236-L238 HydrophobicContact CB-CD1 4.12Å; L236-L238 HydrophobicContact CB-CG 3.94Å; L236-L238 HydrophobicContact CD1-CD1 4.03Å
237D94.8Very high97.5Very high135 Ų13543.3 Ų43.372%0.72222%0.224SC*.  trans-99.8101.2167.1-170.713.7000109.4P161P161-D237 HydrophobicContact CG-CB 4.33Å
238L95.8Very high97.5Very high62 Ų6245.6 Ų45.633%0.32523%0.232SC..  trans-127.9147.4-178-58.5173.1000110.6V157 A159 F231 T233 L236 K240V157-L238 HydrophobicContact CG1-CB 4.25Å; V157-L238 HydrophobicContact CG1-CD1 3.96Å; A159-L238 HydrophobicContact CB-CB 3.81Å; A159-L238 HydrophobicContact CB-CG 4.39Å; F231-L238 HydrophobicContact CD1-CD1 4.25Å; F231-L238 HydrophobicContact CE1-CD1 3.81Å; T233-L238 HydrophobicContact CG2-CD1 4.17Å; L236-L238 HydrophobicContact CB-CD1 4.12Å; L236-L238 HydrophobicContact CB-CG 3.94Å; L236-L238 HydrophobicContact CD1-CD1 4.03Å; L238-K240 PolarHBondContact O-N 3.05Å
239S95.2Very high97.5Very high101 Ų10145.8 Ų45.871%0.70623%0.234SC*.  trans-62.5126.5170.1-52.80000110.6
240K97.6Very high97.5Very high49 Ų4948.1 Ų48.121%0.21324%0.242CC..  trans-75.9122.3178.2-64.5154.3-177.767.80108.8V157 T158 A159 L238 D255 W257V157-K240 WeakPolarHBondContact O-CA 3.17Å; T158-K240 HydrophobicContact CG2-CG 4.39Å; A159-K240 WeakPolarHBondContact O-CE 3.35Å; A159-K240 PolarHBondContact O-NZ 3.04Å; L238-K240 PolarHBondContact O-N 3.05Å; K240-D255 WeakPolarHBondContact CD-OD1 3.3Å; K240-D255 PolarHBondContact O-N 3.37Å; K240-D255 VanDerWaalsContact O-N 3.08Å; K240-W257 HydrophobicContact CB-CH2 3.76Å; K240-W257 HydrophobicContact CB-CZ3 4.24Å; K240-W257 HydrophobicContact CD-CH2 3.62Å; K240-W257 HydrophobicContact CD-CZ2 3.94Å; K240-W257 HydrophobicContact CG-CH2 3.78Å
241R97.6Very high97.5Very high74 Ų7448 Ų4828%0.27924%0.242SC..EExtended strand (participates in β ladder)trans-153.5157.1-178.170.3-177-168.3-67.1-12.3112.3D155 S156 V157 I243 V253D155-R241 IonicContact OD2-CZ 3.66Å; D155-R241 IonicContact OD2-NE 3.19Å; D155-R241 IonicContact OD2-NH2 3.92Å; D155-R241 PolarHBondContact OD2-NH2 3.45Å; S156-R241 WeakPolarHBondContact CA-O 3.42Å; V157-R241 HydrophobicContact CB-CG 4.49Å; V157-R241 VanDerWaalsContact CB-NH1 3.32Å; V157-R241 PolarHBondContact N-O 3.43Å; V157-R241 PolarHBondContact O-N 2.91Å; R241-I243 HydrophobicContact CG-CG1 4.4Å; R241-V253 CarbonylContact C-O 3.44Å; R241-V253 WeakPolarHBondContact CA-O 3.42Å
242M98.7Very high97.5Very high0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-119.2137.9155-176.2172.9-7100109D155 P186 Y189 M190 I244 V253 F256D155-M242 CarbonylContact O-C 3.51Å; D155-M242 VanDerWaalsContact O-CA 3.22Å; D155-M242 WeakPolarHBondContact O-CA 3.43Å; P186-M242 HydrophobicContact CB-CE 3.95Å; Y189-M242 HydrophobicContact CD1-CE 3.75Å; Y189-M242 HydrophobicContact CD1-SD 3.31Å; Y189-M242 WeakPolarHBondContact CD1-SD 3.26Å; Y189-M242 HydrophobicContact CE1-CE 4.48Å; Y189-M242 HydrophobicContact CE1-SD 3.58Å; Y189-M242 VanDerWaalsContact CE1-SD 3.58Å; Y189-M242 HydrophobicContact CG-CE 4.14Å; Y189-M242 HydrophobicContact CG-SD 4.26Å; M190-M242 HydrophobicContact CE-CE 4.21Å; M190-M242 HydrophobicContact CG-CE 4.41Å; M242-I244 HydrophobicContact CG-CG1 4.42Å; M242-V253 HydrophobicContact CB-CB 4.39Å; M242-V253 PolarHBondContact N-O 3.24Å; M242-V253 PolarHBondContact O-N 3.39Å; M242-F256 HydrophobicContact CB-CB 4.06Å; M242-F256 HydrophobicContact CB-CD1 3.96Å; M242-F256 HydrophobicContact CB-CG 4.09Å; M242-F256 HydrophobicContact CE-CD1 4.08Å; M242-F256 HydrophobicContact CE-CD2 3.99Å; M242-F256 HydrophobicContact CE-CE1 3.99Å; M242-F256 HydrophobicContact CE-CE2 3.91Å; M242-F256 HydrophobicContact CE-CG 4.08Å; M242-F256 HydrophobicContact CE-CZ 3.91Å
243I98.8Very high97.5Very high14 Ų1447.4 Ų47.47%0.07224%0.24CC..EExtended strand (participates in β ladder)trans-121.3128.2171.8-50.3179000109D155 R241 Y245 K250 I251 I252D155-I243 PolarHBondContact N-O 3.07Å; D155-I243 PolarHBondContact O-N 3.39Å; R241-I243 HydrophobicContact CG-CG1 4.4Å; I243-Y245 HydrophobicContact CB-CD2 4.25Å; I243-Y245 HydrophobicContact CB-CE2 3.59Å; I243-Y245 HydrophobicContact CG2-CD1 4.44Å; I243-Y245 HydrophobicContact CG2-CD2 3.77Å; I243-Y245 HydrophobicContact CG2-CE1 4.04Å; I243-Y245 HydrophobicContact CG2-CE2 3.26Å; I243-Y245 HydrophobicContact CG2-CG 4.33Å; I243-Y245 VanDerWaalsContact CG2-CZ 3.42Å; I243-K250 HydrophobicContact CG2-CB 4.06Å; I243-K250 HydrophobicContact CG2-CD 4.05Å; I243-K250 HydrophobicContact CG2-CG 4.42Å; I243-I251 CarbonylContact C-O 3.56Å; I243-I251 VanDerWaalsContact CA-O 3.31Å; I243-I251 WeakPolarHBondContact CA-O 3.31Å; I243-I252 HydrophobicContact CG1-CG1 4.48Å; I243-I252 HydrophobicContact CG1-CG2 4.48Å; I243-I252 HydrophobicContact CG2-CG1 4.33Å
244I98.9Very high97.5Very high0 Ų049.7 Ų49.70%026%0.255CS..EExtended strand (participates in β ladder)trans-109.1108.6-179.8-55.4159.8000107.4I139 I143 I148 L151 L154 L193 M242 K250 I251 V253I139-I244 HydrophobicContact CG2-CD1 3.46Å; I139-I244 VanDerWaalsContact CG2-CD1 3.46Å; I143-I244 HydrophobicContact CD1-CG2 4.29Å; I148-I244 HydrophobicContact CD1-CG2 4.01Å; L151-I244 HydrophobicContact CD1-CG2 4.31Å; L151-I244 HydrophobicContact CD2-CG2 3.67Å; L154-I244 HydrophobicContact CD2-CB 3.96Å; L154-I244 HydrophobicContact CD2-CG1 3.63Å; L154-I244 HydrophobicContact CD2-CG2 3.7Å; L193-I244 HydrophobicContact CD1-CD1 3.62Å; L193-I244 HydrophobicContact CD1-CG1 4.09Å; M242-I244 HydrophobicContact CG-CG1 4.42Å; I244-K250 CarbonylContact O-C 3.08Å; I244-K250 WeakPolarHBondContact O-CA 3.37Å; I244-K250 WeakPolarHBondContact O-CB 3.41Å; I244-I251 HydrophobicContact CB-CB 4.23Å; I244-I251 HydrophobicContact CD1-CB 4.29Å; I244-I251 HydrophobicContact CD1-CD1 4.49Å; I244-I251 PolarHBondContact N-O 3.37Å; I244-I251 PolarHBondContact O-N 2.84Å; I244-V253 HydrophobicContact CD1-CG2 4.32Å
245Y98.8Very high97.5Very high64 Ų6451.4 Ų51.425%0.25126%0.264SS..EExtended strand (participates in β ladder)trans-97.2130.1-177.8-66-94.1000111.4R152 W153 D155 I243 K250R152-Y245 PolarHBondContact N-O 2.82Å; W153-Y245 HydrophobicContact CB-CD2 4.35Å; W153-Y245 HydrophobicContact CD2-CD2 4.08Å; W153-Y245 HydrophobicContact CD2-CE2 4.28Å; W153-Y245 AromaticContact CE3-CD2 3.52Å; W153-Y245 HydrophobicContact CE3-CD2 3.52Å; W153-Y245 AromaticContact CE3-CE2 3.5Å; W153-Y245 HydrophobicContact CE3-CE2 3.5Å; W153-Y245 VanDerWaalsContact CE3-CE2 3.5Å; W153-Y245 HydrophobicContact CE3-CG 4.15Å; W153-Y245 HydrophobicContact CG-CD2 4.46Å; W153-Y245 HydrophobicContact CH2-CE2 4.49Å; W153-Y245 HydrophobicContact CZ3-CD2 4.16Å; W153-Y245 AromaticContact CZ3-CE2 3.63Å; W153-Y245 HydrophobicContact CZ3-CE2 3.63Å; W153-Y245 AromaticContact CZ3-CZ 3.94Å; W153-Y245 PolarHBondContact N-O 3.2Å; W153-Y245 WeakPolarHBondContact O-CB 3.35Å; W153-Y245 PolarHBondContact O-N 2.82Å; D155-Y245 HydrophobicContact CB-CE2 4.34Å; I243-Y245 HydrophobicContact CB-CD2 4.25Å; I243-Y245 HydrophobicContact CB-CE2 3.59Å; I243-Y245 HydrophobicContact CG2-CD1 4.44Å; I243-Y245 HydrophobicContact CG2-CD2 3.77Å; I243-Y245 HydrophobicContact CG2-CE1 4.04Å; I243-Y245 HydrophobicContact CG2-CE2 3.26Å; I243-Y245 HydrophobicContact CG2-CG 4.33Å; I243-Y245 VanDerWaalsContact CG2-CZ 3.42Å; Y245-K250 HydrophobicContact CD1-CB 3.92Å; Y245-K250 HydrophobicContact CD1-CD 4.15Å; Y245-K250 HydrophobicContact CE1-CB 4.28Å; Y245-K250 HydrophobicContact CE1-CD 3.68Å; Y245-K250 HydrophobicContact CG-CB 4.39Å
246G98.6Very high97.7Very high12 Ų1247.2 Ų47.212%0.12424%0.241CC..EExtended strand (participates in β ladder)trans-127.2174.2166.500000111.9I148 T150 K248 G249I148-G246 CarbonylContact O-C 3.6Å; I148-G246 WeakPolarHBondContact O-CA 3.03Å; T150-G246 CarbonylContact O-C 3.43Å; T150-G246 WeakPolarHBondContact O-CA 3.49Å; G246-K248 PolarHBondContact O-N 3.37Å; G246-K248 VanDerWaalsContact O-N 3.17Å; G246-G249 CarbonylContact C-O 3.59Å; G246-G249 PolarHBondContact N-O 3.48Å; G246-G249 PolarHBondContact O-N 3.46Å
247E98.3Very high97.7Very high88 Ų8844.5 Ų44.541%0.41123%0.226SC..THydrogen-bonded Turntrans-60.5-25.4-175.7-67.4169.9147.500114.8I148 T150 R152 N267I148-E247 PolarHBondContact O-N 2.86Å; T150-E247 WeakPolarHBondContact CB-OE2 3.45Å; T150-E247 PolarHBondContact N-OE2 3.26Å; T150-E247 PolarHBondContact O-N 3.28Å; T150-E247 PolarHBondContact OG1-OE2 2.94Å; R152-E247 HydrophobicContact CG-CG 4.21Å; R152-E247 IonicContact CZ-OE1 3.25Å; R152-E247 IonicContact NE-OE1 2.88Å; R152-E247 PolarHBondContact NE-OE1 3.38Å; R152-E247 IonicContact NH2-OE1 3.7Å; R152-E247 PolarHBondContact NH2-OE1 2.55Å; E247-N267 PolarHBondContact O-ND2 2.75Å
248K98.6Very high97.8Very high124 Ų12442.2 Ų42.254%0.53921%0.21SC..THydrogen-bonded Turntrans-110.6-0.1-174.6-57.5178.9-178.1176.20113.6I148 G246 N267I148-K248 PolarHBondContact O-N 3Å; G246-K248 PolarHBondContact O-N 3.37Å; G246-K248 VanDerWaalsContact O-N 3.17Å; K248-N267 VanDerWaalsContact C-CG 3.45Å; K248-N267 WeakPolarHBondContact CA-ND2 3.48Å; K248-N267 PolarHBondContact O-N 3.45Å
249G98.6Very high97.8Very high4 Ų439.9 Ų39.94%0.04120%0.198CC..EExtended strand (participates in β ladder)trans163.5-164.7-178.400000113.1G246 H265 N267G246-G249 CarbonylContact C-O 3.59Å; G246-G249 PolarHBondContact N-O 3.48Å; G246-G249 PolarHBondContact O-N 3.46Å; G249-H265 CarbonylContact C-O 3.53Å; G249-H265 WeakPolarHBondContact CA-O 3.32Å; G249-N267 WeakPolarHBondContact CA-OD1 3.31Å; G249-N267 PolarHBondContact N-OD1 3.07Å
250K98.9Very high97.9Very high64 Ų6438.6 Ų38.628%0.27818%0.183SC..EExtended strand (participates in β ladder)trans-144.7156.6178.362.1-175177179.90111.7I243 I244 Y245 I252 I264 H265I243-K250 HydrophobicContact CG2-CB 4.06Å; I243-K250 HydrophobicContact CG2-CD 4.05Å; I243-K250 HydrophobicContact CG2-CG 4.42Å; I244-K250 CarbonylContact O-C 3.08Å; I244-K250 WeakPolarHBondContact O-CA 3.37Å; I244-K250 WeakPolarHBondContact O-CB 3.41Å; Y245-K250 HydrophobicContact CD1-CB 3.92Å; Y245-K250 HydrophobicContact CD1-CD 4.15Å; Y245-K250 HydrophobicContact CE1-CB 4.28Å; Y245-K250 HydrophobicContact CE1-CD 3.68Å; Y245-K250 HydrophobicContact CG-CB 4.39Å; K250-I252 HydrophobicContact CG-CG1 4.5Å; K250-I264 CarbonylContact O-C 3.57Å; K250-I264 WeakPolarHBondContact O-CA 3.32Å; K250-H265 HydrophobicContact CG-CB 3.97Å; K250-H265 PolarHBondContact N-O 2.83Å; K250-H265 PolarHBondContact O-N 3.2Å
251I98.9Very high97.9Very high0 Ų038.2 Ų38.20%019%0.185CC..EExtended strand (participates in β ladder)trans-111.5127.3169.8-51.6168.8000107.8I139 V142 I143 I148 I243 I244 V253 A262 E263 I264I139-I251 HydrophobicContact CG1-CG2 4.22Å; I139-I251 HydrophobicContact CG2-CD1 4Å; V142-I251 HydrophobicContact CB-CD1 4.21Å; V142-I251 HydrophobicContact CG1-CD1 3.68Å; V142-I251 HydrophobicContact CG1-CG1 4.35Å; I143-I251 HydrophobicContact CG1-CD1 4.22Å; I148-I251 HydrophobicContact CD1-CD1 4.03Å; I148-I251 HydrophobicContact CD1-CG1 4.04Å; I148-I251 HydrophobicContact CG2-CG1 4.27Å; I243-I251 CarbonylContact C-O 3.56Å; I243-I251 VanDerWaalsContact CA-O 3.31Å; I243-I251 WeakPolarHBondContact CA-O 3.31Å; I244-I251 HydrophobicContact CB-CB 4.23Å; I244-I251 HydrophobicContact CD1-CB 4.29Å; I244-I251 HydrophobicContact CD1-CD1 4.49Å; I244-I251 PolarHBondContact N-O 3.37Å; I244-I251 PolarHBondContact O-N 2.84Å; I251-V253 HydrophobicContact CG2-CG2 3.91Å; I251-A262 HydrophobicContact CG2-CB 4.14Å; I251-E263 CarbonylContact C-O 3.5Å; I251-E263 VanDerWaalsContact CA-O 3.3Å; I251-E263 WeakPolarHBondContact CA-O 3.45Å; I251-I264 HydrophobicContact CG1-CG1 4.33Å
252I98.8Very high97.9Very high34 Ų3434.7 Ų34.717%0.17417%0.172CC..EExtended strand (participates in β ladder)trans-106.3122.2176.9-54.9173.7000107.7I243 K250 A262 E263I243-I252 HydrophobicContact CG1-CG1 4.48Å; I243-I252 HydrophobicContact CG1-CG2 4.48Å; I243-I252 HydrophobicContact CG2-CG1 4.33Å; K250-I252 HydrophobicContact CG-CG1 4.5Å; I252-A262 WeakPolarHBondContact O-CA 3.04Å; I252-E263 PolarHBondContact N-O 2.67Å; I252-E263 PolarHBondContact O-N 3.18Å
253V98.6Very high97.9Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-122.698.2-175.2-166.10000108I139 R241 M242 I244 I251 F256 T259 A262I139-V253 HydrophobicContact CD1-CG1 4.07Å; I139-V253 HydrophobicContact CD1-CG2 3.57Å; R241-V253 CarbonylContact C-O 3.44Å; R241-V253 WeakPolarHBondContact CA-O 3.42Å; M242-V253 HydrophobicContact CB-CB 4.39Å; M242-V253 PolarHBondContact N-O 3.24Å; M242-V253 PolarHBondContact O-N 3.39Å; I244-V253 HydrophobicContact CD1-CG2 4.32Å; I251-V253 HydrophobicContact CG2-CG2 3.91Å; V253-F256 HydrophobicContact CB-CB 4.14Å; V253-F256 HydrophobicContact CG1-CB 3.62Å; V253-T259 HydrophobicContact CG1-CG2 3.68Å; V253-A262 HydrophobicContact CG1-CB 4.46Å; V253-A262 HydrophobicContact CG2-CB 4.13Å
254P98Very high97.9Very high48 Ų4837.9 Ų37.931%0.31219%0.186SC..EExtended strand (participates in β ladder)trans-64.1148.1172.529.4-33.8000109.3F256 T259 T261P254-F256 PolarHBondContact O-N 3.37Å; P254-T259 WeakPolarHBondContact O-CB 3.49Å; P254-T259 WeakPolarHBondContact O-CG2 3.3Å; P254-T261 HydrophobicContact CG-CG2 4.13Å
255D96.8Very high97.9Very high42 Ų4239.5 Ų39.523%0.22519%0.194CC..THydrogen-bonded Turntrans38.749.7172.5-71.3-90.9000114.2K240 W257 K258 T259K240-D255 WeakPolarHBondContact CD-OD1 3.3Å; K240-D255 PolarHBondContact O-N 3.37Å; K240-D255 VanDerWaalsContact O-N 3.08Å; D255-W257 PolarHBondContact O-N 2.78Å; D255-K258 HydrophobicContact CB-CD 4.45Å; D255-K258 HydrophobicContact CB-CG 3.94Å; D255-K258 VanDerWaalsContact CG-CE 3.47Å; D255-K258 PolarHBondContact O-N 2.86Å; D255-K258 WeakPolarHBondContact OD1-CE 3.47Å; D255-K258 IonicContact OD1-NZ 2.75Å; D255-K258 PolarHBondContact OD1-NZ 3.42Å; D255-T259 PolarHBondContact O-N 3.06Å
256F96.6Very high97.9Very high0 Ų038 Ų380%019%0.188CC..THydrogen-bonded Turntrans-54-18-162.574.1-87.8000116.2P186 Y189 M242 V253 P254P186-F256 HydrophobicContact CB-CE1 4.25Å; P186-F256 HydrophobicContact CB-CZ 3.78Å; P186-F256 HydrophobicContact CG-CZ 4.37Å; Y189-F256 HydrophobicContact CD1-CD2 4.29Å; Y189-F256 AromaticContact CD2-CD2 3.55Å; Y189-F256 HydrophobicContact CD2-CD2 3.55Å; Y189-F256 AromaticContact CD2-CE2 3.84Å; Y189-F256 HydrophobicContact CD2-CE2 3.84Å; Y189-F256 AromaticContact CE2-CD2 3.84Å; Y189-F256 HydrophobicContact CE2-CD2 3.84Å; Y189-F256 AromaticContact CG-CD2 3.8Å; Y189-F256 HydrophobicContact CG-CD2 3.8Å; Y189-F256 AromaticContact CG-CE2 3.88Å; Y189-F256 HydrophobicContact CG-CE2 3.88Å; M242-F256 HydrophobicContact CB-CB 4.06Å; M242-F256 HydrophobicContact CB-CD1 3.96Å; M242-F256 HydrophobicContact CB-CG 4.09Å; M242-F256 HydrophobicContact CE-CD1 4.08Å; M242-F256 HydrophobicContact CE-CD2 3.99Å; M242-F256 HydrophobicContact CE-CE1 3.99Å; M242-F256 HydrophobicContact CE-CE2 3.91Å; M242-F256 HydrophobicContact CE-CG 4.08Å; M242-F256 HydrophobicContact CE-CZ 3.91Å; V253-F256 HydrophobicContact CB-CB 4.14Å; V253-F256 HydrophobicContact CG1-CB 3.62Å; P254-F256 PolarHBondContact O-N 3.37Å
257W95.7Very high97.8Very high20 Ų2043.2 Ų43.28%0.07621%0.213CC..THydrogen-bonded Turntrans-85.6-3.217765.787.4000115.2T158 Y185 K240 D255T158-W257 HydrophobicContact CG2-CH2 3.81Å; T158-W257 HydrophobicContact CG2-CZ3 4.09Å; Y185-W257 HydrophobicContact CD1-CB 3.48Å; Y185-W257 VanDerWaalsContact CD1-CB 3.48Å; Y185-W257 HydrophobicContact CD1-CG 4.4Å; Y185-W257 HydrophobicContact CE1-CB 3.41Å; Y185-W257 VanDerWaalsContact CE1-CB 3.41Å; Y185-W257 HydrophobicContact CE1-CG 4.29Å; Y185-W257 HydrophobicContact CG-CB 4.28Å; K240-W257 HydrophobicContact CB-CH2 3.76Å; K240-W257 HydrophobicContact CB-CZ3 4.24Å; K240-W257 HydrophobicContact CD-CH2 3.62Å; K240-W257 HydrophobicContact CD-CZ2 3.94Å; K240-W257 HydrophobicContact CG-CH2 3.78Å; D255-W257 PolarHBondContact O-N 2.78Å
258K95.8Very high97.8Very high87 Ų8744.1 Ų44.138%0.37822%0.221SC..THydrogen-bonded Turntrans-151.6-0.3-178.963.6171.2-179.2171.70114.9D255 Q278 E281D255-K258 HydrophobicContact CB-CD 4.45Å; D255-K258 HydrophobicContact CB-CG 3.94Å; D255-K258 VanDerWaalsContact CG-CE 3.47Å; D255-K258 PolarHBondContact O-N 2.86Å; D255-K258 WeakPolarHBondContact OD1-CE 3.47Å; D255-K258 IonicContact OD1-NZ 2.75Å; D255-K258 PolarHBondContact OD1-NZ 3.42Å; K258-Q278 PolarHBondContact O-NE2 3.23Å; K258-E281 HydrophobicContact CB-CB 4.18Å; K258-E281 HydrophobicContact CB-CG 4.17Å
259T96.2Very high97.7Very high12 Ų1241.1 Ų41.17%0.07422%0.224CC..  trans-72.5153.4-176-170.90000112.7I135 V253 P254 D255 T261 Q278I135-T259 HydrophobicContact CG2-CG2 3.9Å; I135-T259 WeakPolarHBondContact CG2-O 3.31Å; V253-T259 HydrophobicContact CG1-CG2 3.68Å; P254-T259 WeakPolarHBondContact O-CB 3.49Å; P254-T259 WeakPolarHBondContact O-CG2 3.3Å; D255-T259 PolarHBondContact O-N 3.06Å; T259-T261 VanDerWaalsContact CG2-O 3.26Å; T259-T261 WeakPolarHBondContact CG2-O 3.5Å; T259-T261 PolarHBondContact OG1-N 2.89Å; T259-T261 VanDerWaalsContact OG1-N 3.1Å; T259-T261 PolarHBondContact OG1-O 3.08Å; T259-Q278 PolarHBondContact O-NE2 3.07Å; T259-Q278 PolarHBondContact O-OE1 3.33Å
260D96.5Very high97.7Very high74 Ų7446.7 Ų46.740%0.39625%0.249SC..SBendtrans-101.2-2.4170.861.1-2.6000112.4S275 S276 Q278D260-S275 CarbonylContact O-C 3.37Å; D260-S275 VanDerWaalsContact O-CA 3.27Å; D260-S275 WeakPolarHBondContact O-CA 3.28Å; D260-S276 PolarHBondContact O-N 2.79Å; D260-S276 PolarHBondContact O-OG 2.83Å; D260-Q278 HydrophobicContact CB-CG 3.61Å; D260-Q278 VanDerWaalsContact N-NE2 3.15Å
261T97.6Very high97.7Very high42 Ų4250 Ų5026%0.25826%0.264SS..EExtended strand (participates in β ladder)trans-139.1153.2-169.6-172.10000112.9P254 T259 L274P254-T261 HydrophobicContact CG-CG2 4.13Å; T259-T261 VanDerWaalsContact CG2-O 3.26Å; T259-T261 WeakPolarHBondContact CG2-O 3.5Å; T259-T261 PolarHBondContact OG1-N 2.89Å; T259-T261 VanDerWaalsContact OG1-N 3.1Å; T259-T261 PolarHBondContact OG1-O 3.08Å; T261-L274 VanDerWaalsContact CA-O 3.28Å; T261-L274 WeakPolarHBondContact CA-O 3.34Å; T261-L274 PolarHBondContact OG1-O 2.93Å
262A98.5Very high97.6Very high0 Ų053.1 Ų53.10%028%0.279CS..EExtended strand (participates in β ladder)trans-151.2153.7169.300000110.1I135 I139 I251 I252 V253 L274I135-A262 HydrophobicContact CD1-CB 4.03Å; I135-A262 HydrophobicContact CG1-CB 3.96Å; I139-A262 HydrophobicContact CD1-CB 4.26Å; I139-A262 HydrophobicContact CG1-CB 4.44Å; I251-A262 HydrophobicContact CG2-CB 4.14Å; I252-A262 WeakPolarHBondContact O-CA 3.04Å; V253-A262 HydrophobicContact CG1-CB 4.46Å; V253-A262 HydrophobicContact CG2-CB 4.13Å; A262-L274 HydrophobicContact CB-CB 4.34Å; A262-L274 HydrophobicContact CB-CD1 4.34Å; A262-L274 PolarHBondContact N-O 2.72Å; A262-L274 PolarHBondContact O-N 2.94Å
263E98.6Very high97.6Very high80 Ų8056 Ų5637%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-114.1132176.8-65.5-175.1106.700110.7I251 I252 H265 E272I251-E263 CarbonylContact C-O 3.5Å; I251-E263 VanDerWaalsContact CA-O 3.3Å; I251-E263 WeakPolarHBondContact CA-O 3.45Å; I252-E263 PolarHBondContact N-O 2.67Å; I252-E263 PolarHBondContact O-N 3.18Å; E263-H265 IonicContact OE2-NE2 2.63Å; E263-E272 CarbonylContact C-O 3.58Å; E263-E272 WeakPolarHBondContact CA-O 3.32Å
264I98.8Very high97.6Very high0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-98124.7170.4-47.9172.3000107.4V142 I148 K250 I251 Y266 K271 E272 L274V142-I264 HydrophobicContact CB-CD1 4.38Å; V142-I264 HydrophobicContact CG1-CD1 3.73Å; V142-I264 HydrophobicContact CG1-CG1 4.4Å; V142-I264 HydrophobicContact CG2-CD1 3.69Å; I148-I264 HydrophobicContact CG2-CG2 3.85Å; K250-I264 CarbonylContact O-C 3.57Å; K250-I264 WeakPolarHBondContact O-CA 3.32Å; I251-I264 HydrophobicContact CG1-CG1 4.33Å; I264-Y266 HydrophobicContact CG2-CD1 4.34Å; I264-Y266 HydrophobicContact CG2-CD2 4.48Å; I264-Y266 HydrophobicContact CG2-CE1 3.84Å; I264-Y266 HydrophobicContact CG2-CE2 4.02Å; I264-K271 CarbonylContact O-C 3.47Å; I264-K271 WeakPolarHBondContact O-CA 3.44Å; I264-E272 HydrophobicContact CB-CB 4.22Å; I264-E272 HydrophobicContact CD1-CB 4.18Å; I264-E272 HydrophobicContact CG1-CB 4.46Å; I264-E272 PolarHBondContact N-O 3.49Å; I264-E272 PolarHBondContact O-N 2.79Å; I264-L274 HydrophobicContact CD1-CD1 4.24Å; I264-L274 HydrophobicContact CD1-CD2 4.04Å; I264-L274 HydrophobicContact CD1-CG 4.12Å; I264-L274 HydrophobicContact CG1-CD1 4.32Å; I264-L274 HydrophobicContact CG1-CG 4.27Å
265H98.7Very high97.6Very high34 Ų3458.5 Ų58.516%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-115115.3175-70.2-160.3000108.9G249 K250 E263G249-H265 CarbonylContact C-O 3.53Å; G249-H265 WeakPolarHBondContact CA-O 3.32Å; K250-H265 HydrophobicContact CG-CB 3.97Å; K250-H265 PolarHBondContact N-O 2.83Å; K250-H265 PolarHBondContact O-N 3.2Å; E263-H265 IonicContact OE2-NE2 2.63Å
266Y98.6Very high97.4Very high34 Ų3457.5 Ų57.513%0.13331%0.311CS..EExtended strand (participates in β ladder)trans-87.4157.1176.8-58.7-77.2000111.5K147 I264 D268 G269 Q270 E272K147-Y266 HydrophobicContact CB-CE1 4.18Å; K147-Y266 WeakPolarHBondContact CD-OH 3.38Å; K147-Y266 WeakPolarHBondContact O-CE1 3.34Å; I264-Y266 HydrophobicContact CG2-CD1 4.34Å; I264-Y266 HydrophobicContact CG2-CD2 4.48Å; I264-Y266 HydrophobicContact CG2-CE1 3.84Å; I264-Y266 HydrophobicContact CG2-CE2 4.02Å; Y266-D268 VanDerWaalsContact CB-OD1 3.25Å; Y266-D268 WeakPolarHBondContact CB-OD1 3.29Å; Y266-D268 PolarHBondContact O-N 3.19Å; Y266-G269 PolarHBondContact O-N 2.85Å; Y266-G269 VanDerWaalsContact O-N 3.08Å; Y266-Q270 HydrophobicContact CD2-CB 3.79Å; Y266-Q270 WeakPolarHBondContact CD2-O 3.21Å; Y266-Q270 HydrophobicContact CG-CB 4.5Å; Y266-Q270 PolarHBondContact N-O 2.79Å; Y266-E272 HydrophobicContact CE2-CB 4.47Å; Y266-E272 HydrophobicContact CE2-CG 3.93Å; Y266-E272 WeakPolarHBondContact CE2-OE1 3.45Å; Y266-E272 PolarHBondContact OH-OE1 2.86Å; Y266-E272 PolarHBondContact OH-OE2 2.88Å
267N97.7Very high97.1Very high120 Ų12064 Ų6464%0.64235%0.346SS*.THydrogen-bonded Turntrans-67.3-21.7-178.7-71.3-6.8000113.8E247 K248 G249 G269E247-N267 PolarHBondContact O-ND2 2.75Å; K248-N267 VanDerWaalsContact C-CG 3.45Å; K248-N267 WeakPolarHBondContact CA-ND2 3.48Å; K248-N267 PolarHBondContact O-N 3.45Å; G249-N267 WeakPolarHBondContact CA-OD1 3.31Å; G249-N267 PolarHBondContact N-OD1 3.07Å; N267-G269 PolarHBondContact O-N 3.15Å
268D97Very high96.6Very high108 Ų10864.7 Ų64.758%0.57835%0.35SS*.THydrogen-bonded Turntrans-800.7174.668.4-5.3000113Y266 Q270Y266-D268 VanDerWaalsContact CB-OD1 3.25Å; Y266-D268 WeakPolarHBondContact CB-OD1 3.29Å; Y266-D268 PolarHBondContact O-N 3.19Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.41Å; D268-Q270 WeakPolarHBondContact OD1-CG 3.39Å; D268-Q270 PolarHBondContact OD1-N 3.34Å; D268-Q270 PolarHBondContact OD2-NE2 3.03Å
269G97.3Very high96.2Very high60 Ų6067.8 Ų67.862%0.61937%0.365SS*.SBendtrans90.9-6.618000000114.6Y266 N267Y266-G269 PolarHBondContact O-N 2.85Å; Y266-G269 VanDerWaalsContact O-N 3.08Å; N267-G269 PolarHBondContact O-N 3.15Å
270Q98.1Very high96Very high121 Ų12167.6 Ų67.657%0.56537%0.365SS*.  trans-64.5150.1173.7-66.2-176.618.500111Y266 D268Y266-Q270 HydrophobicContact CD2-CB 3.79Å; Y266-Q270 WeakPolarHBondContact CD2-O 3.21Å; Y266-Q270 HydrophobicContact CG-CB 4.5Å; Y266-Q270 PolarHBondContact N-O 2.79Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.41Å; D268-Q270 WeakPolarHBondContact OD1-CG 3.39Å; D268-Q270 PolarHBondContact OD1-N 3.34Å; D268-Q270 PolarHBondContact OD2-NE2 3.03Å
271K98.3Very high95.9Very high133 Ų13365.4 Ų65.458%0.57835%0.352SS*.EExtended strand (participates in β ladder)trans-132.2143.8175.5-62.2-175.5179.8-1730111.1I264I264-K271 CarbonylContact O-C 3.47Å; I264-K271 WeakPolarHBondContact O-CA 3.44Å
272E98.2Very high95.9Very high67 Ų6763.5 Ų63.531%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-127.3142.2169.5-73.1174.7-144.100109.5K147 E263 I264 Y266K147-E272 VanDerWaalsContact NZ-CD 3.34Å; K147-E272 IonicContact NZ-OE1 3.89Å; K147-E272 PolarHBondContact NZ-OE1 2.68Å; K147-E272 IonicContact NZ-OE2 3.76Å; K147-E272 PolarHBondContact NZ-OE2 3.18Å; E263-E272 CarbonylContact C-O 3.58Å; E263-E272 WeakPolarHBondContact CA-O 3.32Å; I264-E272 HydrophobicContact CB-CB 4.22Å; I264-E272 HydrophobicContact CD1-CB 4.18Å; I264-E272 HydrophobicContact CG1-CB 4.46Å; I264-E272 PolarHBondContact N-O 3.49Å; I264-E272 PolarHBondContact O-N 2.79Å; Y266-E272 HydrophobicContact CE2-CB 4.47Å; Y266-E272 HydrophobicContact CE2-CG 3.93Å; Y266-E272 WeakPolarHBondContact CE2-OE1 3.45Å; Y266-E272 PolarHBondContact OH-OE1 2.86Å; Y266-E272 PolarHBondContact OH-OE2 2.88Å
273T98.4Very high95.8Very high93 Ų9363.9 Ų63.957%0.57134%0.342SS*.EExtended strand (participates in β ladder)trans-103.8129.1172.3-560000109
274L98.1Very high95.8Very high18 Ų1862.3 Ų62.39%0.09433%0.334CS..EExtended strand (participates in β ladder)trans-93.6136.7166.3-56.8178.9000107.8I135 Q138 I139 V142 T261 A262 I264I135-L274 HydrophobicContact CD1-CB 3.52Å; Q138-L274 HydrophobicContact CB-CD1 4.14Å; I139-L274 HydrophobicContact CG1-CD1 4.16Å; V142-L274 HydrophobicContact CG2-CD1 4.09Å; V142-L274 HydrophobicContact CG2-CD2 4.31Å; T261-L274 VanDerWaalsContact CA-O 3.28Å; T261-L274 WeakPolarHBondContact CA-O 3.34Å; T261-L274 PolarHBondContact OG1-O 2.93Å; A262-L274 HydrophobicContact CB-CB 4.34Å; A262-L274 HydrophobicContact CB-CD1 4.34Å; A262-L274 PolarHBondContact N-O 2.72Å; A262-L274 PolarHBondContact O-N 2.94Å; I264-L274 HydrophobicContact CD1-CD1 4.24Å; I264-L274 HydrophobicContact CD1-CD2 4.04Å; I264-L274 HydrophobicContact CD1-CG 4.12Å; I264-L274 HydrophobicContact CG1-CD1 4.32Å; I264-L274 HydrophobicContact CG1-CG 4.27Å
275S97.2Very high95.7Very high84 Ų8462.3 Ų62.359%0.58734%0.335SS*.EExtended strand (participates in β ladder)trans-141.6155.7173.7630000111Q138 D260Q138-S275 PolarHBondContact NE2-O 3.08Å; D260-S275 CarbonylContact O-C 3.37Å; D260-S275 VanDerWaalsContact O-CA 3.27Å; D260-S275 WeakPolarHBondContact O-CA 3.28Å
276S94.2Very high95.7Very high20 Ų2060.7 Ų60.714%0.1433%0.327CS..  trans-139.9149.917354.30000110.5D260D260-S276 PolarHBondContact O-N 2.79Å; D260-S276 PolarHBondContact O-OG 2.83Å
277N88.5Confident95.7Very high138 Ų13861.5 Ų61.574%0.73833%0.334SS*.  trans-82.5119.5170.4-1623.1000108.9
278Q85.9Confident95.7Very high34 Ų3457.4 Ų57.416%0.15931%0.311CS..  trans-143132.3175.264176.82000109.2K258 T259 D260 F284K258-Q278 PolarHBondContact O-NE2 3.23Å; T259-Q278 PolarHBondContact O-NE2 3.07Å; T259-Q278 PolarHBondContact O-OE1 3.33Å; D260-Q278 HydrophobicContact CB-CG 3.61Å; D260-Q278 VanDerWaalsContact N-NE2 3.15Å; Q278-F284 HydrophobicContact CB-CE2 3.77Å; Q278-F284 HydrophobicContact CB-CZ 3.76Å
279H87.5Confident95.8Very high151 Ų15152.2 Ų52.270%0.69928%0.283SS*.SBendtrans-99-46.6170.5-59.384.6000110.3E29E29-H279 IonicContact OE1-CG 3.98Å; E29-H279 IonicContact OE1-ND1 2.73Å
280S93.2Very high95.8Very high8 Ų849.5 Ų49.56%0.05625%0.254CS..  trans-110.5134.3172.1-1780000112.2G26 E29 F282 V283G26-S280 WeakPolarHBondContact CA-OG 3.41Å; G26-S280 PolarHBondContact N-OG 3.39Å; E29-S280 WeakPolarHBondContact OE2-CB 3.01Å; E29-S280 PolarHBondContact OE2-N 2.86Å; S280-F282 PolarHBondContact O-N 3.12Å; S280-F282 PolarHBondContact OG-N 3.07Å; S280-V283 WeakPolarHBondContact O-CG1 3.22Å
281E94.2Very high95.7Very high29 Ų2945.3 Ų45.314%0.13624%0.241CC..SBendtrans-74.4-9.6171.976-88.9-159.200113.3R22 K129 L133 K258R22-E281 IonicContact CZ-OE1 3.09Å; R22-E281 IonicContact NH1-OE1 2.61Å; R22-E281 PolarHBondContact NH1-OE1 3.43Å; K129-E281 HydrophobicContact CD-CB 4.4Å; K129-E281 HydrophobicContact CD-CG 3.56Å; K129-E281 IonicContact NZ-OE1 3.31Å; K129-E281 PolarHBondContact NZ-OE1 3.45Å; L133-E281 HydrophobicContact CD2-CB 4.25Å; K258-E281 HydrophobicContact CB-CB 4.18Å; K258-E281 HydrophobicContact CB-CG 4.17Å
282F97Very high95.7Very high1 Ų139.2 Ų39.20%0.00421%0.214CC..SBendtrans-91.1-23.6179.7-79.3-84.2000113.2V19 R22 F23 K129 S280 F284 E285 V286V19-F282 HydrophobicContact CG2-CE1 4.27Å; V19-F282 HydrophobicContact CG2-CE2 4.18Å; V19-F282 HydrophobicContact CG2-CZ 3.44Å; V19-F282 VanDerWaalsContact CG2-CZ 3.44Å; R22-F282 HydrophobicContact CB-CD2 3.98Å; R22-F282 HydrophobicContact CB-CE2 3.65Å; F23-F282 HydrophobicContact CB-CD1 4.41Å; F23-F282 HydrophobicContact CB-CE1 4.37Å; F23-F282 AromaticContact CD2-CD1 3.8Å; F23-F282 HydrophobicContact CD2-CD1 3.8Å; F23-F282 HydrophobicContact CD2-CE1 4.13Å; K129-F282 HydrophobicContact CD-CD1 4.35Å; K129-F282 HydrophobicContact CD-CE1 4.14Å; K129-F282 HydrophobicContact CD-CE2 4.31Å; K129-F282 HydrophobicContact CD-CZ 4.11Å; K129-F282 VanDerWaalsContact NZ-CE2 3.27Å; S280-F282 PolarHBondContact O-N 3.12Å; S280-F282 PolarHBondContact OG-N 3.07Å; F282-F284 VanDerWaalsContact C-N 3.27Å; F282-F284 PolarHBondContact O-N 3.41Å; F282-E285 PolarHBondContact O-N 2.9Å; F282-V286 WeakPolarHBondContact O-CG2 3.45Å; F282-V286 PolarHBondContact O-N 3.18Å
283V97Very high95.7Very high8 Ų836.9 Ų36.95%0.04820%0.204CC..Hα-helixtrans-57.3-40.8-171.170.90000112.2E29 S280 E285 V286 D287E29-V283 HydrophobicContact CB-CB 4.32Å; E29-V283 HydrophobicContact CB-CG2 3.9Å; E29-V283 HydrophobicContact CG-CB 4.41Å; E29-V283 HydrophobicContact CG-CG2 3.93Å; S280-V283 WeakPolarHBondContact O-CG1 3.22Å; V283-E285 PolarHBondContact O-N 2.89Å; V283-V286 PolarHBondContact O-N 3.38Å; V283-D287 WeakPolarHBondContact O-CB 3.35Å; V283-D287 PolarHBondContact O-N 2.94Å
284F97.3Very high95.6Very high47 Ų4738.3 Ų38.321%0.20620%0.204CC..Hα-helixtrans-68.4-36.5-176.5-49.1-70.4000113.4F132 L133 P134 Q278 F282 H288F132-F284 HydrophobicContact CB-CB 3.86Å; F132-F284 VanDerWaalsContact O-CB 3.29Å; F132-F284 WeakPolarHBondContact O-CB 3.19Å; L133-F284 HydrophobicContact CD2-CD2 3.99Å; L133-F284 HydrophobicContact CD2-CE2 4.4Å; P134-F284 VanDerWaalsContact CD-CE2 3.41Å; P134-F284 VanDerWaalsContact CD-CZ 3.46Å; P134-F284 HydrophobicContact CG-CD1 3.89Å; P134-F284 HydrophobicContact CG-CD2 4.39Å; P134-F284 HydrophobicContact CG-CE1 3.37Å; P134-F284 HydrophobicContact CG-CE2 3.92Å; P134-F284 HydrophobicContact CG-CG 4.37Å; P134-F284 HydrophobicContact CG-CZ 3.39Å; Q278-F284 HydrophobicContact CB-CE2 3.77Å; Q278-F284 HydrophobicContact CB-CZ 3.76Å; F282-F284 VanDerWaalsContact C-N 3.27Å; F282-F284 PolarHBondContact O-N 3.41Å; F284-H288 WeakPolarHBondContact O-CB 3.18Å; F284-H288 PolarHBondContact O-N 3.33Å
285E98.2Very high95.5Very high1 Ų143.7 Ų43.71%0.00523%0.229CC..Hα-helixtrans-69.7-44.7173.8171.5172.8-11700110.8M125 A127 Q128 K129 F132 F282 V283 H288 V289M125-E285 HydrophobicContact CE-CG 3.94Å; A127-E285 VanDerWaalsContact C-OE1 3.28Å; A127-E285 WeakPolarHBondContact CA-OE1 3.07Å; Q128-E285 PolarHBondContact N-OE1 2.94Å; K129-E285 HydrophobicContact CB-CB 4.39Å; K129-E285 PolarHBondContact N-OE1 3.08Å; F132-E285 HydrophobicContact CB-CB 4.42Å; F132-E285 HydrophobicContact CD2-CB 3.73Å; F132-E285 HydrophobicContact CD2-CG 4.04Å; F132-E285 HydrophobicContact CE2-CB 4.21Å; F132-E285 HydrophobicContact CE2-CG 4Å; F132-E285 HydrophobicContact CG-CB 4.16Å; F282-E285 PolarHBondContact O-N 2.9Å; V283-E285 PolarHBondContact O-N 2.89Å; E285-H288 PolarHBondContact O-N 2.89Å; E285-V289 WeakPolarHBondContact O-CG2 3.43Å; E285-V289 PolarHBondContact O-N 2.98Å
286V98.3Very high95.5Very high0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-63.2-45179.7175.80000110.9Y11 F23 V27 S30 F282 V283 H288 V289 N290Y11-V286 HydrophobicContact CE2-CG1 4.34Å; F23-V286 HydrophobicContact CE2-CG2 3.89Å; F23-V286 HydrophobicContact CZ-CG2 4.39Å; V27-V286 HydrophobicContact CG2-CG1 4.06Å; V27-V286 HydrophobicContact CG2-CG2 3.94Å; S30-V286 VanDerWaalsContact CB-CG1 3.5Å; S30-V286 WeakPolarHBondContact OG-CG1 3.26Å; F282-V286 WeakPolarHBondContact O-CG2 3.45Å; F282-V286 PolarHBondContact O-N 3.18Å; V283-V286 PolarHBondContact O-N 3.38Å; V286-H288 VanDerWaalsContact C-N 3.29Å; V286-H288 PolarHBondContact O-N 2.77Å; V286-V289 PolarHBondContact O-N 2.89Å; V286-N290 WeakPolarHBondContact O-CB 3.41Å; V286-N290 PolarHBondContact O-N 2.82Å; V286-N290 PolarHBondContact O-ND2 2.84Å; V286-N290 PolarHBondContact O-OD1 2.66Å
287D97.5Very high95.6Very high51 Ų5151.1 Ų51.127%0.27325%0.246SC..Hα-helixtrans-59.1-41.6175.9-78.1-19.4000111.5S30 Q31 V283 N290 A291S30-D287 VanDerWaalsContact CA-OD1 3.29Å; S30-D287 WeakPolarHBondContact CA-OD1 3.37Å; S30-D287 VanDerWaalsContact CB-OD1 3.23Å; S30-D287 WeakPolarHBondContact CB-OD1 3.33Å; Q31-D287 PolarHBondContact N-OD1 3.06Å; V283-D287 WeakPolarHBondContact O-CB 3.35Å; V283-D287 PolarHBondContact O-N 2.94Å; D287-N290 PolarHBondContact O-N 2.87Å; D287-A291 WeakPolarHBondContact O-CB 3.43Å; D287-A291 PolarHBondContact O-N 3.31Å
288H98.1Very high96.1Very high33 Ų3347 Ų4715%0.15322%0.224CC..Hα-helixtrans-63.5-43.5175.7178.885.6000112.1F132 F284 E285 V286 A291 C292 S300F132-H288 HydrophobicContact CD1-CB 3.81Å; F132-H288 AromaticContact CD1-CG 3.87Å; F132-H288 HydrophobicContact CE1-CB 3.74Å; F132-H288 AromaticContact CE1-CD2 3.35Å; F132-H288 WeakPolarHBondContact CE1-CD2 3.44Å; F132-H288 AromaticContact CE1-CG 3.36Å; F132-H288 AromaticContact CE1-ND1 3.89Å; F132-H288 AromaticContact CE1-NE2 3.85Å; F132-H288 AromaticContact CZ-CD2 3.86Å; F284-H288 WeakPolarHBondContact O-CB 3.18Å; F284-H288 PolarHBondContact O-N 3.33Å; E285-H288 PolarHBondContact O-N 2.89Å; V286-H288 VanDerWaalsContact C-N 3.29Å; V286-H288 PolarHBondContact O-N 2.77Å; H288-A291 PolarHBondContact O-N 2.82Å; H288-C292 PolarHBondContact NE2-SG 2.82Å; H288-C292 VanDerWaalsContact NE2-SG 3.38Å; H288-C292 PolarHBondContact O-N 2.89Å; H288-C292 PolarHBondContact O-SG 3.27Å; H288-S300 PolarHBondContact NE2-OG 2.85Å
289V98.5Very high96.5Very high0 Ų049.1 Ų49.10%023%0.233CC..Hα-helixtrans-62.6-45.8175.7172.70000110.7Y11 I73 L98 F123 M125 E285 V286 A291 C292 L293Y11-V289 VanDerWaalsContact OH-CG1 3.26Å; Y11-V289 WeakPolarHBondContact OH-CG1 3.35Å; I73-V289 HydrophobicContact CD1-CG1 3.51Å; L98-V289 HydrophobicContact CD1-CG2 4.21Å; L98-V289 HydrophobicContact CD2-CG2 4.49Å; F123-V289 HydrophobicContact CD1-CG1 4.47Å; F123-V289 HydrophobicContact CE1-CG1 3.84Å; F123-V289 HydrophobicContact CE1-CG2 4.19Å; F123-V289 HydrophobicContact CZ-CG1 4.38Å; F123-V289 HydrophobicContact CZ-CG2 4.27Å; M125-V289 HydrophobicContact CE-CG2 3.59Å; M125-V289 HydrophobicContact SD-CG2 4.06Å; E285-V289 WeakPolarHBondContact O-CG2 3.43Å; E285-V289 PolarHBondContact O-N 2.98Å; V286-V289 PolarHBondContact O-N 2.89Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 3.41Å; V289-C292 WeakPolarHBondContact O-CB 3.46Å; V289-C292 PolarHBondContact O-N 3.26Å; V289-C292 VanDerWaalsContact O-N 3.15Å; V289-L293 HydrophobicContact CG1-CD1 4.14Å; V289-L293 HydrophobicContact CG1-CG 4.42Å; V289-L293 WeakPolarHBondContact O-CG 3.42Å; V289-L293 PolarHBondContact O-N 3.25Å
290N97.9Very high97.1Very high2 Ų242.1 Ų42.11%0.01120%0.201CC..Hα-helixtrans-58.3-47.7177.5-65.2-16.1000110.6I9 Y11 Q31 G33 V286 D287 C292 L293 E294I9-N290 HydrophobicContact CG1-CB 4.4Å; Y11-N290 WeakPolarHBondContact CE2-OD1 3.47Å; Y11-N290 PolarHBondContact OH-OD1 3.29Å; Q31-N290 PolarHBondContact O-ND2 3.35Å; G33-N290 PolarHBondContact N-ND2 3.44Å; V286-N290 WeakPolarHBondContact O-CB 3.41Å; V286-N290 PolarHBondContact O-N 2.82Å; V286-N290 PolarHBondContact O-ND2 2.84Å; V286-N290 PolarHBondContact O-OD1 2.66Å; D287-N290 PolarHBondContact O-N 2.87Å; N290-C292 VanDerWaalsContact C-N 3.31Å; N290-C292 PolarHBondContact O-N 2.88Å; N290-L293 PolarHBondContact O-N 3.46Å; N290-L293 VanDerWaalsContact O-N 3.14Å; N290-E294 WeakPolarHBondContact O-CG 3.21Å; N290-E294 PolarHBondContact O-N 3.06Å
291A97.2Very high97.3Very high34 Ų3446.3 Ų46.328%0.28123%0.231SC..Hα-helixtrans-60.8-37.9176.800000112.6D287 H288 V289 Q295D287-A291 WeakPolarHBondContact O-CB 3.43Å; D287-A291 PolarHBondContact O-N 3.31Å; H288-A291 PolarHBondContact O-N 2.82Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 3.41Å; A291-Q295 WeakPolarHBondContact O-CB 3.5Å; A291-Q295 VanDerWaalsContact O-CG 3.31Å; A291-Q295 WeakPolarHBondContact O-CG 3.17Å; A291-Q295 PolarHBondContact O-N 2.96Å; A291-Q295 VanDerWaalsContact O-N 3.12Å; A291-Q295 PolarHBondContact O-NE2 3Å
292C97.9Very high97.4Very high4 Ų447.1 Ų47.13%0.02724%0.236CC..Hα-helixtrans-63.6-44.2174.6-71.20000111.7F123 H288 V289 N290 Q295 R296 L297F123-C292 HydrophobicContact CD2-CB 4.02Å; F123-C292 HydrophobicContact CE2-CB 3.51Å; F123-C292 HydrophobicContact CZ-CB 4.11Å; H288-C292 PolarHBondContact NE2-SG 2.82Å; H288-C292 VanDerWaalsContact NE2-SG 3.38Å; H288-C292 PolarHBondContact O-N 2.89Å; H288-C292 PolarHBondContact O-SG 3.27Å; V289-C292 WeakPolarHBondContact O-CB 3.46Å; V289-C292 PolarHBondContact O-N 3.26Å; V289-C292 VanDerWaalsContact O-N 3.15Å; N290-C292 VanDerWaalsContact C-N 3.31Å; N290-C292 PolarHBondContact O-N 2.88Å; C292-Q295 CarbonylContact O-C 3.55Å; C292-Q295 PolarHBondContact O-N 3.44Å; C292-R296 PolarHBondContact O-N 3.18Å; C292-L297 HydrophobicContact CB-CB 4.22Å; C292-L297 HydrophobicContact CB-CD1 4.4Å; C292-L297 PolarHBondContact O-N 2.91Å
293L97.6Very high97.5Very high18 Ų1847.2 Ų47.29%0.09424%0.236CC..Hα-helixtrans-67.6-41.7179.9-68.1177.4000112.4I9 I73 H96 F123 V289 N290 Q295 R296I9-L293 HydrophobicContact CD1-CB 4.06Å; I9-L293 HydrophobicContact CD1-CD1 4.25Å; I9-L293 HydrophobicContact CG1-CD1 4.25Å; I9-L293 HydrophobicContact CG2-CD1 3.62Å; I73-L293 HydrophobicContact CB-CD1 4.25Å; I73-L293 HydrophobicContact CD1-CD1 4.01Å; I73-L293 HydrophobicContact CG2-CD1 4.29Å; H96-L293 HydrophobicContact CB-CD2 4.03Å; H96-L293 WeakPolarHBondContact CD2-CD2 3.37Å; F123-L293 HydrophobicContact CB-CD2 3.56Å; F123-L293 HydrophobicContact CD1-CD2 4.18Å; F123-L293 HydrophobicContact CG-CD2 3.91Å; V289-L293 HydrophobicContact CG1-CD1 4.14Å; V289-L293 HydrophobicContact CG1-CG 4.42Å; V289-L293 WeakPolarHBondContact O-CG 3.42Å; V289-L293 PolarHBondContact O-N 3.25Å; N290-L293 PolarHBondContact O-N 3.46Å; N290-L293 VanDerWaalsContact O-N 3.14Å; L293-Q295 VanDerWaalsContact C-N 3.28Å; L293-Q295 PolarHBondContact O-N 3.48Å; L293-R296 PolarHBondContact O-N 3.19Å
294E96.1Very high97.6Very high123 Ų12349.1 Ų49.158%0.57525%0.248SC*.Hα-helixtrans-58.9-41.9174.3-74.3176.9176.400111.4N290 R296N290-E294 WeakPolarHBondContact O-CG 3.21Å; N290-E294 PolarHBondContact O-N 3.06Å; E294-R296 PolarHBondContact O-N 2.99Å
295Q96Very high97.6Very high132 Ų13249.9 Ų49.962%0.61725%0.251SS*.THydrogen-bonded Turntrans-79.8-0.1175.9-68.9171.969.900113.7A291 C292 L293 L297A291-Q295 WeakPolarHBondContact O-CB 3.5Å; A291-Q295 VanDerWaalsContact O-CG 3.31Å; A291-Q295 WeakPolarHBondContact O-CG 3.17Å; A291-Q295 PolarHBondContact O-N 2.96Å; A291-Q295 VanDerWaalsContact O-N 3.12Å; A291-Q295 PolarHBondContact O-NE2 3Å; C292-Q295 CarbonylContact O-C 3.55Å; C292-Q295 PolarHBondContact O-N 3.44Å; L293-Q295 VanDerWaalsContact C-N 3.28Å; L293-Q295 PolarHBondContact O-N 3.48Å; Q295-L297 HydrophobicContact CB-CD1 4.36Å; Q295-L297 HydrophobicContact CB-CD2 4.46Å; Q295-L297 HydrophobicContact CB-CG 3.93Å; Q295-L297 PolarHBondContact O-N 3.32Å
296R96.6Very high97.6Very high188 Ų18855.9 Ų55.971%0.70928%0.279SS*.THydrogen-bonded Turntrans55.735.1-178.4-53.2179.3-178.5-179.1-1.1113.4C292 L293 E294C292-R296 PolarHBondContact O-N 3.18Å; L293-R296 PolarHBondContact O-N 3.19Å; E294-R296 PolarHBondContact O-N 2.99Å
297L97.9Very high97.6Very high71 Ų7156.6 Ų56.637%0.37228%0.283SS..  trans-73.1147.9172.9-57.4-178.6000110F123 C292 Q295F123-L297 WeakPolarHBondContact CD2-O 3.46Å; C292-L297 HydrophobicContact CB-CB 4.22Å; C292-L297 HydrophobicContact CB-CD1 4.4Å; C292-L297 PolarHBondContact O-N 2.91Å; Q295-L297 HydrophobicContact CB-CD1 4.36Å; Q295-L297 HydrophobicContact CB-CD2 4.46Å; Q295-L297 HydrophobicContact CB-CG 3.93Å; Q295-L297 PolarHBondContact O-N 3.32Å
298L97.6Very high97.7Very high52 Ų5254.1 Ų54.127%0.27227%0.27SS..SBendtrans-92.8-21.4175.6-60.3-176.1000112.8N121 F123 L124N121-L298 VanDerWaalsContact C-CD2 3.46Å; F123-L298 WeakPolarHBondContact CA-O 3.22Å; L124-L298 PolarHBondContact N-O 2.74Å
299E95.9Very high97.7Very high78 Ų7853.9 Ų53.936%0.36427%0.269SS..SBendtrans-142.1152-174.1-60.8-176.3-175.500109.4K305E299-K305 WeakPolarHBondContact OE2-CB 3.45Å
300S98.5Very high97.7Very high4 Ų458.5 Ų58.53%0.02829%0.289CS..  trans-79.1141.3174168.80000110.8M125 H288 I302 V303M125-S300 WeakPolarHBondContact SD-CB 3.28Å; H288-S300 PolarHBondContact NE2-OG 2.85Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact OG-N 3.39Å; S300-I302 VanDerWaalsContact OG-N 3.14Å; S300-V303 WeakPolarHBondContact CB-O 3.38Å; S300-V303 PolarHBondContact OG-N 3.16Å
301S97.4Very high97.7Very high96 Ų9658.4 Ų58.467%0.67129%0.289SS*.SBendtrans-77.9-10.5172.256.10000113.6
302I97.8Very high97.8Very high47 Ų4757.1 Ų57.124%0.24128%0.278CS..SBendtrans-102.9-55.9-178.8-64.7178.3000110L131 F132 S300 T304L131-I302 HydrophobicContact CB-CG2 3.76Å; L131-I302 HydrophobicContact CD1-CG2 4.42Å; F132-I302 HydrophobicContact CD1-CB 4.45Å; F132-I302 HydrophobicContact CD1-CD1 3.73Å; F132-I302 HydrophobicContact CD1-CG2 4.14Å; F132-I302 HydrophobicContact CE1-CB 3.68Å; F132-I302 HydrophobicContact CE1-CD1 3.65Å; F132-I302 HydrophobicContact CE1-CG1 4.19Å; F132-I302 HydrophobicContact CE1-CG2 3.68Å; F132-I302 HydrophobicContact CZ-CB 4.12Å; F132-I302 HydrophobicContact CZ-CG2 3.97Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact OG-N 3.39Å; S300-I302 VanDerWaalsContact OG-N 3.14Å; I302-T304 PolarHBondContact O-N 3.06Å
303V98.3Very high97.8Very high3 Ų358.5 Ų58.52%0.01829%0.289CS..SBendtrans-98.780.4174.3-175.40000107.5M125 E126 Q128 L131 F132 S300M125-V303 HydrophobicContact CG-CB 3.9Å; M125-V303 HydrophobicContact CG-CG1 4.15Å; M125-V303 HydrophobicContact SD-CB 4.22Å; E126-V303 HydrophobicContact CB-CG1 3.89Å; Q128-V303 HydrophobicContact CB-CG2 3.96Å; L131-V303 HydrophobicContact CD1-CG2 4Å; F132-V303 HydrophobicContact CE2-CG2 3.57Å; F132-V303 HydrophobicContact CZ-CB 4.42Å; F132-V303 HydrophobicContact CZ-CG2 3.5Å; S300-V303 WeakPolarHBondContact CB-O 3.38Å; S300-V303 PolarHBondContact OG-N 3.16Å
304T98.3Very high97.8Very high47 Ų4758 Ų5829%0.28829%0.287SS..  trans-74.7157.4-175.367.50000111.1I302 E306 L307 T308I302-T304 PolarHBondContact O-N 3.06Å; T304-E306 PolarHBondContact O-N 3.3Å; T304-L307 PolarHBondContact O-N 3.45Å; T304-L307 VanDerWaalsContact O-N 3.16Å; T304-L307 WeakPolarHBondContact OG1-CB 3.45Å; T304-L307 PolarHBondContact OG1-N 3.47Å; T304-T308 PolarHBondContact O-N 3.42Å; T304-T308 VanDerWaalsContact O-N 3.12Å
305K98.1Very high97.8Very high63 Ų6352.7 Ų52.727%0.27426%0.263SS..Hα-helixtrans-50-44.5167.8171.4177.8177.7178.30111.6F114 E299 T308 L309F114-K305 HydrophobicContact CB-CD 3.86Å; F114-K305 HydrophobicContact CB-CG 4.26Å; F114-K305 HydrophobicContact CD1-CB 3.91Å; F114-K305 HydrophobicContact CD1-CD 3.94Å; F114-K305 HydrophobicContact CD1-CG 3.78Å; F114-K305 HydrophobicContact CD2-CD 4.39Å; F114-K305 HydrophobicContact CD2-CG 3.84Å; F114-K305 HydrophobicContact CE1-CB 3.75Å; F114-K305 HydrophobicContact CE1-CG 4.04Å; F114-K305 HydrophobicContact CE2-CB 4.42Å; F114-K305 HydrophobicContact CE2-CG 4.08Å; F114-K305 HydrophobicContact CG-CB 4.33Å; F114-K305 HydrophobicContact CG-CD 3.82Å; F114-K305 HydrophobicContact CG-CG 3.7Å; F114-K305 HydrophobicContact CZ-CB 4.03Å; F114-K305 HydrophobicContact CZ-CG 4.18Å; E299-K305 WeakPolarHBondContact OE2-CB 3.45Å; K305-T308 PolarHBondContact O-N 3Å; K305-L309 HydrophobicContact CD-CD1 4.41Å; K305-L309 HydrophobicContact CG-CD1 3.85Å; K305-L309 HydrophobicContact CG-CG 4.15Å; K305-L309 WeakPolarHBondContact O-CB 3.12Å; K305-L309 VanDerWaalsContact O-CG 3.23Å; K305-L309 WeakPolarHBondContact O-CG 3.3Å; K305-L309 PolarHBondContact O-N 3.1Å
306E98.1Very high97.9Very high127 Ų12748 Ų4859%0.59324%0.241SC*.Hα-helixtrans-61.5-46.2-179.8-177.3173.2-170.400112T304 T308 L309 K310T304-E306 PolarHBondContact O-N 3.3Å; E306-T308 PolarHBondContact O-N 3.16Å; E306-L309 PolarHBondContact O-N 2.95Å; E306-K310 HydrophobicContact CG-CG 4.18Å; E306-K310 WeakPolarHBondContact O-CB 3.37Å; E306-K310 WeakPolarHBondContact O-CG 3.14Å; E306-K310 PolarHBondContact O-N 2.87Å
307L98.4Very high97.9Very high15 Ų1540.3 Ų40.38%0.07922%0.218CC..Hα-helixtrans-57.4-50.9178178.661.8000110.9L131 E188 Q191 T304 K310 T311L131-L307 HydrophobicContact CD1-CD2 3.73Å; E188-L307 HydrophobicContact CB-CD1 4.39Å; E188-L307 HydrophobicContact CB-CD2 4.4Å; E188-L307 HydrophobicContact CG-CD1 4.23Å; E188-L307 HydrophobicContact CG-CD2 4.49Å; E188-L307 HydrophobicContact CG-CG 4.19Å; Q191-L307 HydrophobicContact CB-CD1 3.63Å; Q191-L307 HydrophobicContact CG-CD1 4.34Å; T304-L307 PolarHBondContact O-N 3.45Å; T304-L307 VanDerWaalsContact O-N 3.16Å; T304-L307 WeakPolarHBondContact OG1-CB 3.45Å; T304-L307 PolarHBondContact OG1-N 3.47Å; L307-K310 PolarHBondContact O-N 2.78Å; L307-T311 WeakPolarHBondContact O-CB 3.2Å; L307-T311 PolarHBondContact O-N 2.92Å; L307-T311 PolarHBondContact O-OG1 3.05Å
308T98.6Very high97.8Very high0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-60.5-48.1178.5-66.30000111.7F103 F114 E126 T304 K305 E306 K310 T311 V312F103-T308 HydrophobicContact CB-CG2 3.71Å; F103-T308 HydrophobicContact CD1-CG2 3.43Å; F103-T308 VanDerWaalsContact CD1-CG2 3.43Å; F103-T308 HydrophobicContact CD2-CG2 3.97Å; F103-T308 HydrophobicContact CE1-CG2 3.93Å; F103-T308 HydrophobicContact CE2-CG2 4.39Å; F103-T308 HydrophobicContact CG-CG2 3.44Å; F103-T308 VanDerWaalsContact CG-CG2 3.44Å; F103-T308 HydrophobicContact CZ-CG2 4.36Å; F114-T308 HydrophobicContact CE2-CG2 3.86Å; F114-T308 HydrophobicContact CZ-CG2 4.21Å; E126-T308 HydrophobicContact CB-CG2 4.25Å; E126-T308 WeakPolarHBondContact CB-OG1 3.43Å; E126-T308 WeakPolarHBondContact OE2-CB 3.32Å; E126-T308 VanDerWaalsContact OE2-CG2 3.24Å; E126-T308 WeakPolarHBondContact OE2-CG2 3.31Å; E126-T308 PolarHBondContact OE2-OG1 3.3Å; T304-T308 PolarHBondContact O-N 3.42Å; T304-T308 VanDerWaalsContact O-N 3.12Å; K305-T308 PolarHBondContact O-N 3Å; E306-T308 PolarHBondContact O-N 3.16Å; T308-K310 PolarHBondContact O-N 3.07Å; T308-T311 PolarHBondContact O-N 3.32Å; T308-V312 HydrophobicContact CG2-CG2 4.38Å; T308-V312 WeakPolarHBondContact O-CG2 3.34Å; T308-V312 PolarHBondContact O-N 3.38Å
309L98.6Very high97.7Very high27 Ų2735 Ų3514%0.14119%0.189CC..Hα-helixtrans-61.5-43-179.7-69.4-176.1000112.2L107 A110 E111 F114 K305 E306 V312 A313L107-L309 HydrophobicContact CD1-CB 4.01Å; L107-L309 HydrophobicContact CD1-CD2 3.86Å; L107-L309 HydrophobicContact CD1-CG 4.46Å; L107-L309 WeakPolarHBondContact CD1-O 3.45Å; A110-L309 HydrophobicContact CB-CD2 3.5Å; E111-L309 HydrophobicContact CG-CD1 4.24Å; E111-L309 HydrophobicContact CG-CD2 3.82Å; F114-L309 HydrophobicContact CD2-CD2 4.03Å; F114-L309 HydrophobicContact CD2-CG 4.38Å; F114-L309 HydrophobicContact CE2-CD2 4.33Å; K305-L309 HydrophobicContact CD-CD1 4.41Å; K305-L309 HydrophobicContact CG-CD1 3.85Å; K305-L309 HydrophobicContact CG-CG 4.15Å; K305-L309 WeakPolarHBondContact O-CB 3.12Å; K305-L309 VanDerWaalsContact O-CG 3.23Å; K305-L309 WeakPolarHBondContact O-CG 3.3Å; K305-L309 PolarHBondContact O-N 3.1Å; E306-L309 PolarHBondContact O-N 2.95Å; L309-V312 PolarHBondContact O-N 3.17Å; L309-A313 WeakPolarHBondContact O-CB 3.06Å; L309-A313 PolarHBondContact O-N 2.88Å
310K98.2Very high97.6Very high97 Ų9736.2 Ų36.242%0.42219%0.193SC..Hα-helixtrans-63.6-43.6177.5-69.3-73.4-175.5178.80111.4S197 E306 L307 T308 A313 I314S197-K310 WeakPolarHBondContact OG-CG 3.27Å; E306-K310 HydrophobicContact CG-CG 4.18Å; E306-K310 WeakPolarHBondContact O-CB 3.37Å; E306-K310 WeakPolarHBondContact O-CG 3.14Å; E306-K310 PolarHBondContact O-N 2.87Å; L307-K310 PolarHBondContact O-N 2.78Å; T308-K310 PolarHBondContact O-N 3.07Å; K310-A313 PolarHBondContact O-N 2.88Å; K310-I314 WeakPolarHBondContact O-CD1 3.28Å; K310-I314 VanDerWaalsContact O-CG1 3.26Å; K310-I314 WeakPolarHBondContact O-CG1 3.46Å; K310-I314 PolarHBondContact O-N 2.78Å
311T98.5Very high97Very high1 Ų141 Ų411%0.00622%0.219CC..Hα-helixtrans-63.6-44.7177.3-58.10000111.8T184 L187 E188 Q191 L307 T308 A313 I314 T315T184-T311 HydrophobicContact CG2-CG2 3.92Å; L187-T311 HydrophobicContact CB-CG2 4.46Å; L187-T311 HydrophobicContact CD2-CG2 3.66Å; L187-T311 HydrophobicContact CG-CG2 4.05Å; E188-T311 HydrophobicContact CG-CG2 3.75Å; E188-T311 WeakPolarHBondContact CG-OG1 3.21Å; E188-T311 WeakPolarHBondContact OE1-CG2 3.33Å; Q191-T311 PolarHBondContact NE2-OG1 3.04Å; L307-T311 WeakPolarHBondContact O-CB 3.2Å; L307-T311 PolarHBondContact O-N 2.92Å; L307-T311 PolarHBondContact O-OG1 3.05Å; T308-T311 PolarHBondContact O-N 3.32Å; T311-A313 VanDerWaalsContact C-N 3.34Å; T311-A313 PolarHBondContact O-N 2.93Å; T311-I314 PolarHBondContact O-N 3.21Å; T311-T315 WeakPolarHBondContact O-CB 3.49Å; T311-T315 PolarHBondContact O-N 3.29Å; T311-T315 PolarHBondContact O-OG1 2.86Å
312V98.4Very high96.1Very high7 Ų742 Ų424%0.04221%0.208CC..Hα-helixtrans-61.7-43.8176.1173.60000110.6F103 T106 L107 A110 T308 L309 I314 T315 E316F103-V312 HydrophobicContact CB-CG2 4.11Å; T106-V312 VanDerWaalsContact C-CG1 3.41Å; L107-V312 HydrophobicContact CB-CG1 4.43Å; A110-V312 HydrophobicContact CB-CG1 4.42Å; A110-V312 HydrophobicContact CB-CG2 4.36Å; T308-V312 HydrophobicContact CG2-CG2 4.38Å; T308-V312 WeakPolarHBondContact O-CG2 3.34Å; T308-V312 PolarHBondContact O-N 3.38Å; L309-V312 PolarHBondContact O-N 3.17Å; V312-I314 PolarHBondContact O-N 3Å; V312-T315 PolarHBondContact O-N 3.29Å; V312-E316 VanDerWaalsContact O-CB 3.28Å; V312-E316 WeakPolarHBondContact O-CB 3.49Å; V312-E316 PolarHBondContact O-N 3.22Å
313A98.2Very high94.7Very high32 Ų3246.1 Ų46.126%0.26423%0.227SC..Hα-helixtrans-60.5-45.7178.300000112.6L107 L309 K310 T311 A317L107-A313 HydrophobicContact CD1-CB 4.29Å; L107-A313 HydrophobicContact CD2-CB 4.03Å; L309-A313 WeakPolarHBondContact O-CB 3.06Å; L309-A313 PolarHBondContact O-N 2.88Å; K310-A313 PolarHBondContact O-N 2.88Å; T311-A313 VanDerWaalsContact C-N 3.34Å; T311-A313 PolarHBondContact O-N 2.93Å; A313-A317 VanDerWaalsContact O-CB 3.25Å; A313-A317 WeakPolarHBondContact O-CB 3.21Å; A313-A317 PolarHBondContact O-N 3.41Å
314I97.9Very high92.5Very high9 Ų956.6 Ų56.65%0.04627%0.272CS..Hα-helixtrans-62.6-47.2176.8-67.7164000110.1L187 P198 F201 K310 T311 V312 A317 I318L187-I314 HydrophobicContact CD1-CD1 4.08Å; L187-I314 HydrophobicContact CD1-CG2 4.49Å; L187-I314 HydrophobicContact CD2-CB 3.97Å; L187-I314 HydrophobicContact CD2-CD1 4.24Å; L187-I314 HydrophobicContact CD2-CG2 3.7Å; P198-I314 HydrophobicContact CG-CD1 3.56Å; F201-I314 HydrophobicContact CD1-CG1 3.93Å; F201-I314 HydrophobicContact CD1-CG2 4.28Å; F201-I314 HydrophobicContact CD2-CG2 3.97Å; F201-I314 HydrophobicContact CE1-CB 4.42Å; F201-I314 HydrophobicContact CE1-CG1 3.73Å; F201-I314 HydrophobicContact CE1-CG2 4.47Å; F201-I314 HydrophobicContact CE2-CG2 4.16Å; F201-I314 HydrophobicContact CG-CG2 4.03Å; F201-I314 HydrophobicContact CZ-CB 4.39Å; F201-I314 HydrophobicContact CZ-CG1 4.16Å; F201-I314 HydrophobicContact CZ-CG2 4.41Å; K310-I314 WeakPolarHBondContact O-CD1 3.28Å; K310-I314 VanDerWaalsContact O-CG1 3.26Å; K310-I314 WeakPolarHBondContact O-CG1 3.46Å; K310-I314 PolarHBondContact O-N 2.78Å; T311-I314 PolarHBondContact O-N 3.21Å; V312-I314 PolarHBondContact O-N 3Å; I314-A317 PolarHBondContact O-N 2.93Å; I314-I318 HydrophobicContact CG2-CD1 3.88Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; I314-I318 PolarHBondContact O-N 2.83Å
315T97.4Very high92.2Very high11 Ų1157.1 Ų57.17%0.06727%0.271CS..Hα-helixtrans-61.4-48.9-178.8-55.80000110.8F179 T311 V312 A317 I318 Y319F179-T315 HydrophobicContact CD1-CG2 4.18Å; F179-T315 HydrophobicContact CE1-CG2 3.96Å; T311-T315 WeakPolarHBondContact O-CB 3.49Å; T311-T315 PolarHBondContact O-N 3.29Å; T311-T315 PolarHBondContact O-OG1 2.86Å; V312-T315 PolarHBondContact O-N 3.29Å; T315-A317 PolarHBondContact O-N 2.98Å; T315-I318 PolarHBondContact O-N 2.81Å; T315-Y319 HydrophobicContact CG2-CD2 4.31Å; T315-Y319 HydrophobicContact CG2-CE2 4.22Å; T315-Y319 WeakPolarHBondContact O-CD2 3.45Å; T315-Y319 PolarHBondContact O-N 2.8Å
316E96.7Very high91.8Very high33 Ų3356.8 Ų56.815%0.15427%0.271CS..Hα-helixtrans-59.5-45176.8-177.3-179-169.900111.8L107 V312 I318 Y319 K320L107-E316 WeakPolarHBondContact CB-OE2 3.48Å; L107-E316 PolarHBondContact N-OE2 3.48Å; V312-E316 VanDerWaalsContact O-CB 3.28Å; V312-E316 WeakPolarHBondContact O-CB 3.49Å; V312-E316 PolarHBondContact O-N 3.22Å; E316-I318 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 2.78Å; E316-Y319 PolarHBondContact O-N 3.15Å; E316-K320 VanDerWaalsContact CD-NZ 3.3Å; E316-K320 HydrophobicContact CG-CD 4.13Å; E316-K320 HydrophobicContact CG-CG 4.45Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-N 2.97Å; E316-K320 WeakPolarHBondContact OE1-CE 3.43Å; E316-K320 IonicContact OE1-NZ 2.64Å; E316-K320 PolarHBondContact OE1-NZ 2.63Å
317A97Very high91.5Very high27 Ų2752.9 Ų52.922%0.22325%0.253CS..Hα-helixtrans-61.6-40.4179.800000112.5F201 A313 I314 T315 K320 N321F201-A317 HydrophobicContact CE2-CB 3.76Å; F201-A317 HydrophobicContact CZ-CB 3.76Å; A313-A317 VanDerWaalsContact O-CB 3.25Å; A313-A317 WeakPolarHBondContact O-CB 3.21Å; A313-A317 PolarHBondContact O-N 3.41Å; I314-A317 PolarHBondContact O-N 2.93Å; T315-A317 PolarHBondContact O-N 2.98Å; A317-K320 PolarHBondContact O-N 2.58Å; A317-N321 PolarHBondContact O-N 3.3Å
318I96.9Very high91.1Very high4 Ų455.1 Ų55.12%0.02126%0.263CS..Hα-helixtrans-62.6-43.9177.2-71.4167.1000111F179 F201 L205 V218 I314 T315 E316 N321F179-I318 HydrophobicContact CD1-CB 4.48Å; F179-I318 HydrophobicContact CD1-CG2 4.03Å; F179-I318 HydrophobicContact CE1-CB 3.86Å; F179-I318 HydrophobicContact CE1-CD1 3.53Å; F179-I318 HydrophobicContact CE1-CG1 4.28Å; F179-I318 HydrophobicContact CE1-CG2 3.79Å; F179-I318 HydrophobicContact CZ-CD1 3.46Å; F179-I318 VanDerWaalsContact CZ-CD1 3.46Å; F201-I318 HydrophobicContact CD2-CD1 4.2Å; F201-I318 HydrophobicContact CD2-CG1 3.99Å; F201-I318 HydrophobicContact CE2-CG1 4.13Å; L205-I318 HydrophobicContact CD1-CG2 3.98Å; L205-I318 HydrophobicContact CD2-CG2 4.11Å; L205-I318 HydrophobicContact CG-CG2 3.94Å; V218-I318 HydrophobicContact CG1-CD1 3.87Å; V218-I318 HydrophobicContact CG2-CD1 4.02Å; I314-I318 HydrophobicContact CG2-CD1 3.88Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; I314-I318 PolarHBondContact O-N 2.83Å; T315-I318 PolarHBondContact O-N 2.81Å; E316-I318 VanDerWaalsContact C-N 3.34Å; E316-I318 PolarHBondContact O-N 2.78Å; I318-N321 PolarHBondContact O-N 3.42Å
319Y95.5Very high90.6Very high6 Ų658.6 Ų58.62%0.02428%0.28CS..Hα-helixtrans-66.6-39.8175.1-83.3-84.1000112.7L172 F179 R180 L205 F207 D213 T315 E316 N321 Y322 Q323L172-Y319 HydrophobicContact CD1-CD1 4.24Å; L172-Y319 HydrophobicContact CD1-CE1 3.88Å; F179-Y319 HydrophobicContact CB-CE2 4.26Å; F179-Y319 HydrophobicContact CD1-CD2 4.29Å; F179-Y319 AromaticContact CD1-CE2 3.71Å; F179-Y319 HydrophobicContact CD1-CE2 3.71Å; F179-Y319 HydrophobicContact CG-CE2 4.47Å; R180-Y319 VanDerWaalsContact CD-CZ 3.45Å; R180-Y319 WeakPolarHBondContact CD-OH 3.23Å; R180-Y319 HydrophobicContact CG-CD2 4.42Å; R180-Y319 HydrophobicContact CG-CE2 3.51Å; R180-Y319 WeakPolarHBondContact CG-OH 3.43Å; R180-Y319 PolarHBondContact N-OH 3.41Å; L205-Y319 HydrophobicContact CD1-CD1 3.84Å; L205-Y319 HydrophobicContact CD1-CD2 4.41Å; L205-Y319 HydrophobicContact CD1-CE1 3.77Å; L205-Y319 HydrophobicContact CD1-CE2 4.33Å; L205-Y319 HydrophobicContact CD1-CG 4.17Å; F207-Y319 HydrophobicContact CE1-CE1 4.29Å; F207-Y319 HydrophobicContact CZ-CD1 4.23Å; F207-Y319 HydrophobicContact CZ-CE1 4.08Å; D213-Y319 VanDerWaalsContact CG-OH 3.29Å; D213-Y319 VanDerWaalsContact OD1-CE1 3.25Å; D213-Y319 WeakPolarHBondContact OD1-CE1 3.25Å; D213-Y319 VanDerWaalsContact OD1-CZ 3.25Å; D213-Y319 PolarHBondContact OD1-OH 2.83Å; D213-Y319 PolarHBondContact OD2-OH 2.99Å; T315-Y319 HydrophobicContact CG2-CD2 4.31Å; T315-Y319 HydrophobicContact CG2-CE2 4.22Å; T315-Y319 WeakPolarHBondContact O-CD2 3.45Å; T315-Y319 PolarHBondContact O-N 2.8Å; E316-Y319 PolarHBondContact O-N 3.15Å; Y319-N321 VanDerWaalsContact C-N 3.31Å; Y319-N321 PolarHBondContact O-N 2.97Å; Y319-Y322 PolarHBondContact O-N 3.08Å; Y319-Q323 PolarHBondContact O-N 2.92Å
320K92.9Very high90.1Very high104 Ų10460.7 Ų60.745%0.45229%0.289SS..Hα-helixtrans-63.5-34.2178.5-78.7-179.7180168.90113.1E316 A317 Y322 Q323E316-K320 VanDerWaalsContact CD-NZ 3.3Å; E316-K320 HydrophobicContact CG-CD 4.13Å; E316-K320 HydrophobicContact CG-CG 4.45Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-N 2.97Å; E316-K320 WeakPolarHBondContact OE1-CE 3.43Å; E316-K320 IonicContact OE1-NZ 2.64Å; E316-K320 PolarHBondContact OE1-NZ 2.63Å; A317-K320 PolarHBondContact O-N 2.58Å; K320-Y322 PolarHBondContact O-N 3.43Å; K320-Q323 PolarHBondContact O-N 3.19Å
321N86.8Confident89.5Confident105 Ų10558.1 Ų58.156%0.56128%0.28SS*.Hα-helixtrans-70.3-20.9178.9-75.7-18.7000113.3A317 I318 Y319A317-N321 PolarHBondContact O-N 3.3Å; I318-N321 PolarHBondContact O-N 3.42Å; Y319-N321 VanDerWaalsContact C-N 3.31Å; Y319-N321 PolarHBondContact O-N 2.97Å
322Y78.3Confident88.8Confident117 Ų11762.5 Ų62.546%0.45930%0.301SS..Hα-helixtrans-87.9-29.1176.1-170.4-88.9000113.2L205 F207 Y319 K320 K324L205-Y322 VanDerWaalsContact O-CE2 3.3Å; L205-Y322 WeakPolarHBondContact O-CE2 3.35Å; F207-Y322 HydrophobicContact CB-CE1 4.43Å; F207-Y322 AromaticContact CD2-CD1 3.62Å; F207-Y322 HydrophobicContact CD2-CD1 3.62Å; F207-Y322 HydrophobicContact CD2-CD2 4.09Å; F207-Y322 AromaticContact CD2-CE1 3.15Å; F207-Y322 HydrophobicContact CD2-CE1 3.15Å; F207-Y322 AromaticContact CD2-CE2 3.67Å; F207-Y322 HydrophobicContact CD2-CE2 3.67Å; F207-Y322 HydrophobicContact CD2-CG 4.07Å; F207-Y322 AromaticContact CD2-CZ 3.18Å; F207-Y322 AromaticContact CE2-CD1 3.2Å; F207-Y322 HydrophobicContact CE2-CD1 3.2Å; F207-Y322 AromaticContact CE2-CD2 3.73Å; F207-Y322 HydrophobicContact CE2-CD2 3.73Å; F207-Y322 AromaticContact CE2-CE1 3.32Å; F207-Y322 HydrophobicContact CE2-CE1 3.32Å; F207-Y322 AromaticContact CE2-CE2 3.82Å; F207-Y322 HydrophobicContact CE2-CE2 3.82Å; F207-Y322 AromaticContact CE2-CG 3.42Å; F207-Y322 HydrophobicContact CE2-CG 3.42Å; F207-Y322 VanDerWaalsContact CE2-CG 3.42Å; F207-Y322 AromaticContact CE2-CZ 3.63Å; F207-Y322 HydrophobicContact CG-CD1 4.49Å; F207-Y322 AromaticContact CG-CE1 3.87Å; F207-Y322 HydrophobicContact CG-CE1 3.87Å; F207-Y322 AromaticContact CZ-CD1 3.87Å; F207-Y322 HydrophobicContact CZ-CD1 3.87Å; F207-Y322 HydrophobicContact CZ-CE1 4.21Å; F207-Y322 HydrophobicContact CZ-CG 4.24Å; Y319-Y322 PolarHBondContact O-N 3.08Å; K320-Y322 PolarHBondContact O-N 3.43Å; Y322-K324 PolarHBondContact O-N 3.31Å
323Q66.9Low88Confident133 Ų13367.1 Ų67.162%0.62132%0.322SS*.  trans-77.72.8-179.2-69.2-178-17.200114.2Y319 K320Y319-Q323 PolarHBondContact O-N 2.92Å; K320-Q323 PolarHBondContact O-N 3.19Å
324K51.8Low87.1Confident224 Ų22470.3 Ų70.397%0.97433%0.328SS*.  trans-99.10176.2-70.7-178.8-179.7177.20110.3Y322Y322-K324 PolarHBondContact O-N 3.31Å

Retrieved 324 of 324 residues in 377.8 ms (Link to these results)

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