A0A060VYL8_ONCMY Loading...

Integrator complex subunit 9

AlphaFold DB , UniProt , Accession A0A060VYL8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ints9, Length 658 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M87.3Confident90.6Very high48 Ų4826.7 Ų26.724%0.23614%0.142CC..  0143.60-165-178-9400108.2L17 K18 F19 V234 L507 F509M1-L17 HydrophobicContact CE-CD2 4.09Å; M1-L17 HydrophobicContact CE-CG 4.46Å; M1-L17 HydrophobicContact CG-CD1 3.68Å; M1-L17 HydrophobicContact CG-CG 3.95Å; M1-L17 HydrophobicContact SD-CD1 3.44Å; M1-L17 WeakPolarHBondContact SD-CD1 3.3Å; M1-L17 HydrophobicContact SD-CD2 3.71Å; M1-L17 HydrophobicContact SD-CG 3.69Å; M1-K18 VanDerWaalsContact CA-O 3.31Å; M1-K18 WeakPolarHBondContact CA-O 3.31Å; M1-K18 VanDerWaalsContact CG-O 3.28Å; M1-K18 WeakPolarHBondContact CG-O 3.49Å; M1-F19 HydrophobicContact CB-CD2 4.09Å; M1-F19 HydrophobicContact CE-CB 3.68Å; M1-F19 HydrophobicContact CE-CD1 4.35Å; M1-F19 HydrophobicContact CE-CD2 3.31Å; M1-F19 HydrophobicContact CE-CE2 3.97Å; M1-F19 HydrophobicContact CE-CG 3.52Å; M1-F19 HydrophobicContact CG-CB 4.03Å; M1-F19 HydrophobicContact CG-CD2 4.04Å; M1-F19 HydrophobicContact CG-CG 4.48Å; M1-F19 HydrophobicContact SD-CD2 4.42Å; M1-V234 HydrophobicContact CE-CG2 4.02Å; M1-V234 HydrophobicContact SD-CG2 3.82Å; M1-L507 HydrophobicContact CB-CB 4.35Å; M1-L507 HydrophobicContact CB-CD1 4.37Å; M1-L507 HydrophobicContact CG-CD1 4.11Å; M1-L507 PolarHBondContact O-N 3.43Å; M1-L507 VanDerWaalsContact O-N 3.09Å; M1-L507 HydrophobicContact SD-CD1 3.74Å; M1-F509 HydrophobicContact CB-CD2 3.64Å; M1-F509 HydrophobicContact CB-CE2 3.45Å; M1-F509 VanDerWaalsContact CB-CE2 3.45Å; M1-F509 HydrophobicContact CE-CE2 4.31Å; M1-F509 HydrophobicContact CE-CZ 4.31Å; M1-F509 HydrophobicContact CG-CE2 4.07Å; M1-F509 HydrophobicContact SD-CD2 4.49Å; M1-F509 HydrophobicContact SD-CE2 3.45Å; M1-F509 WeakPolarHBondContact SD-CE2 3.49Å; M1-F509 HydrophobicContact SD-CZ 3.76Å
2K92.5Very high90.6Very high113 Ų11325.8 Ų25.849%0.49114%0.136SC..EExtended strand (participates in β ladder)trans-122.9140.5177.7-68.3-176.9178.6-176.40109.8Y4 K18 V504 L505K2-Y4 HydrophobicContact CB-CD2 4.44Å; K2-Y4 HydrophobicContact CB-CE2 3.76Å; K2-K18 PolarHBondContact N-O 3.37Å; K2-K18 PolarHBondContact O-N 3.08Å; K2-V504 HydrophobicContact CB-CG1 4.3Å; K2-V504 HydrophobicContact CD-CG1 4.22Å; K2-L505 CarbonylContact C-O 3.5Å; K2-L505 WeakPolarHBondContact CA-O 3.44Å
3L95.3Very high90.8Very high2 Ų224 Ų241%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-110.3119.4174.5-175.572.4000108.8N15 V16 L17 I262 V470 Y499 V504 L505 L507L3-N15 HydrophobicContact CD1-CB 4.03Å; L3-V16 CarbonylContact C-O 3.59Å; L3-V16 WeakPolarHBondContact CA-O 3.45Å; L3-L17 HydrophobicContact CD1-CD1 4.04Å; L3-I262 HydrophobicContact CD1-CD1 3.97Å; L3-I262 HydrophobicContact CD2-CD1 4.29Å; L3-V470 HydrophobicContact CD2-CG1 3.7Å; L3-Y499 HydrophobicContact CD2-CD1 4.29Å; L3-Y499 HydrophobicContact CD2-CE1 4.44Å; L3-V504 CarbonylContact O-C 3.34Å; L3-V504 WeakPolarHBondContact O-CA 3.47Å; L3-L505 HydrophobicContact CB-CB 4.35Å; L3-L505 PolarHBondContact N-O 2.88Å; L3-L505 PolarHBondContact O-N 3.47Å; L3-L507 HydrophobicContact CB-CD2 4.4Å; L3-L507 HydrophobicContact CB-CG 4.4Å
4Y95.9Very high91.1Very high31 Ų3122.3 Ų22.312%0.12212%0.118CC..EExtended strand (participates in β ladder)trans-101.8132175.9-60.7-103.7000108.3K2 N15 V16 K18 L90 V504K2-Y4 HydrophobicContact CB-CD2 4.44Å; K2-Y4 HydrophobicContact CB-CE2 3.76Å; Y4-N15 CarbonylContact O-C 3.53Å; Y4-N15 WeakPolarHBondContact O-CA 3.45Å; Y4-V16 PolarHBondContact N-O 2.88Å; Y4-V16 PolarHBondContact O-N 3.3Å; Y4-K18 HydrophobicContact CE2-CB 3.87Å; Y4-K18 HydrophobicContact CE2-CD 4.37Å; Y4-L90 HydrophobicContact CD1-CD2 4Å; Y4-L90 HydrophobicContact CD1-CG 4.1Å; Y4-V504 HydrophobicContact CD1-CB 4.32Å; Y4-V504 HydrophobicContact CD1-CG1 3.96Å; Y4-V504 HydrophobicContact CD1-CG2 3.49Å; Y4-V504 VanDerWaalsContact CD1-CG2 3.49Å; Y4-V504 HydrophobicContact CE1-CB 4.38Å; Y4-V504 HydrophobicContact CE1-CG1 3.74Å; Y4-V504 HydrophobicContact CE1-CG2 3.67Å; Y4-V504 HydrophobicContact CE2-CG1 4.41Å; Y4-V504 HydrophobicContact CG-CG1 4.38Å; Y4-V504 HydrophobicContact CG-CG2 4.36Å
5C94.4Very high91.4Very high2 Ų220.9 Ų20.91%0.01411%0.111CC..EExtended strand (participates in β ladder)trans-108.1113.1-179.4-176.60000110.7S7 N15 Y499 R500 C502 S503C5-S7 PolarHBondContact SG-O 2.97Å; C5-N15 PolarHBondContact SG-OD1 3.4Å; C5-Y499 HydrophobicContact CB-CD2 3.69Å; C5-Y499 HydrophobicContact CB-CE2 4.19Å; C5-Y499 WeakPolarHBondContact SG-CD2 3.44Å; C5-Y499 WeakPolarHBondContact SG-CE2 3.41Å; C5-R500 VanDerWaalsContact CB-O 3.3Å; C5-R500 WeakPolarHBondContact CB-O 3.46Å; C5-C502 WeakPolarHBondContact O-CA 3.38Å; C5-C502 PolarHBondContact O-N 3.28Å; C5-S503 PolarHBondContact N-O 3.45Å
6L92.7Very high91.7Very high0 Ų019.6 Ų19.60%010%0.104CC..  trans-97-22.3-176.7-50.7-177.6000113C14 V16 M25 P86 E87 L90 L93L6-C14 WeakPolarHBondContact CA-O 3.24Å; L6-C14 HydrophobicContact CB-CB 3.96Å; L6-C14 WeakPolarHBondContact CB-O 3.48Å; L6-C14 PolarHBondContact N-O 3.03Å; L6-V16 HydrophobicContact CD1-CG2 3.72Å; L6-V16 HydrophobicContact CG-CG2 4.24Å; L6-M25 HydrophobicContact CD1-CE 4.25Å; L6-P86 HydrophobicContact CB-CB 4.07Å; L6-E87 HydrophobicContact CB-CB 4.28Å; L6-E87 HydrophobicContact CD2-CB 4.45Å; L6-E87 WeakPolarHBondContact O-CB 3.49Å; L6-E87 PolarHBondContact O-N 2.84Å; L6-L90 HydrophobicContact CD2-CB 4.16Å; L6-L90 HydrophobicContact CD2-CD2 4.05Å; L6-L93 HydrophobicContact CD1-CD2 3.82Å
7S89.7Confident91.9Very high13 Ų1318.5 Ų18.59%0.09110%0.098CC..  trans-112.5141.6178.4177.10000111C5 H9 L12 C14C5-S7 PolarHBondContact SG-O 2.97Å; S7-H9 PolarHBondContact OG-N 3.01Å; S7-H9 VanDerWaalsContact OG-N 3.08Å; S7-L12 WeakPolarHBondContact CB-O 3.49Å; S7-L12 PolarHBondContact OG-O 3.15Å; S7-C14 PolarHBondContact N-O 2.82Å
8G82Confident92Very high25 Ų2522.1 Ų22.126%0.25811%0.113SC..  trans-87.5-9170.100000113.9Q474G8-Q474 PolarHBondContact O-NE2 2.98Å
9H88.4Confident91.8Very high28 Ų2822.1 Ų22.113%0.1311%0.112CC..  trans-86116.4-172.2-160.9-80.7000110.5S7 T11 L12 D31 Q268S7-H9 PolarHBondContact OG-N 3.01Å; S7-H9 VanDerWaalsContact OG-N 3.08Å; H9-T11 VanDerWaalsContact C-N 3.27Å; H9-T11 PolarHBondContact CE1-OG1 2.69Å; H9-T11 PolarHBondContact ND1-OG1 3.48Å; H9-T11 VanDerWaalsContact ND1-OG1 3.09Å; H9-T11 PolarHBondContact O-N 3.24Å; H9-L12 HydrophobicContact CB-CB 4.06Å; H9-L12 PolarHBondContact ND1-N 2.83Å; H9-L12 CarbonylContact O-C 3.46Å; H9-L12 VanDerWaalsContact O-C 3.31Å; H9-L12 PolarHBondContact O-N 2.69Å; H9-D31 IonicContact CD2-OD1 2.8Å; H9-Q268 PolarHBondContact CE1-NE2 3.4Å
10P87.5Confident91.4Very high27 Ų2725.3 Ų25.318%0.17513%0.125CC..THydrogen-bonded Turntrans-71.1-21.9-168.429.9-37.3000113.5G265 P472 Y475P10-G265 PolarHBondContact O-N 3.31Å; P10-P472 HydrophobicContact CB-CB 3.91Å; P10-P472 HydrophobicContact CB-CG 3.9Å; P10-Y475 HydrophobicContact CB-CE1 3.86Å; P10-Y475 HydrophobicContact CB-CE2 4.41Å; P10-Y475 WeakPolarHBondContact CB-OH 3.39Å; P10-Y475 HydrophobicContact CG-CE1 4.38Å; P10-Y475 PolarHBondContact O-OH 3.15Å
11T90.6Very high91Very high5 Ų528.1 Ų28.13%0.03115%0.147CC..THydrogen-bonded Turntrans-102.4-7.1175.964.20000114.5H9 P13 L266 Q268H9-T11 VanDerWaalsContact C-N 3.27Å; H9-T11 PolarHBondContact CE1-OG1 2.69Å; H9-T11 PolarHBondContact ND1-OG1 3.48Å; H9-T11 VanDerWaalsContact ND1-OG1 3.09Å; H9-T11 PolarHBondContact O-N 3.24Å; T11-P13 WeakPolarHBondContact O-CD 3.45Å; T11-L266 WeakPolarHBondContact CG2-O 3.29Å; T11-Q268 HydrophobicContact CG2-CG 4.01Å; T11-Q268 PolarHBondContact OG1-NE2 2.84Å
12L91.4Very high91.2Very high15 Ų1525.9 Ų25.98%0.07914%0.136CC..SBendtrans-126.563.7175.2-62.8167.6000107.8S7 H9 L30 H105S7-L12 WeakPolarHBondContact CB-O 3.49Å; S7-L12 PolarHBondContact OG-O 3.15Å; H9-L12 HydrophobicContact CB-CB 4.06Å; H9-L12 PolarHBondContact ND1-N 2.83Å; H9-L12 CarbonylContact O-C 3.46Å; H9-L12 VanDerWaalsContact O-C 3.31Å; H9-L12 PolarHBondContact O-N 2.69Å; L12-L30 WeakPolarHBondContact CD1-O 3.47Å; L12-H105 HydrophobicContact CD2-CB 4.2Å
13P92.8Very high91.3Very high3 Ų320.7 Ų20.72%0.01911%0.114CC..  trans-70.8153-17431.8-37.1000111.5T11 D27 G29 Y236 T264T11-P13 WeakPolarHBondContact O-CD 3.45Å; P13-D27 HydrophobicContact CG-CB 4.15Å; P13-D27 WeakPolarHBondContact O-CB 3.2Å; P13-G29 PolarHBondContact O-N 2.98Å; P13-Y236 WeakPolarHBondContact CG-OH 3.34Å; P13-T264 HydrophobicContact CB-CG2 3.89Å; P13-T264 HydrophobicContact CG-CG2 4.08Å
14C94.8Very high91.4Very high0 Ų020.7 Ų20.70%011%0.114CC..  trans-139.492.7168.1-66.10000105.9L6 S7 M25 G29 P86L6-C14 WeakPolarHBondContact CA-O 3.24Å; L6-C14 HydrophobicContact CB-CB 3.96Å; L6-C14 WeakPolarHBondContact CB-O 3.48Å; L6-C14 PolarHBondContact N-O 3.03Å; S7-C14 PolarHBondContact N-O 2.82Å; C14-M25 HydrophobicContact CB-CE 3.89Å; C14-G29 PolarHBondContact SG-N 3.12Å; C14-G29 PolarHBondContact SG-O 2.98Å; C14-P86 HydrophobicContact CB-CB 4.02Å; C14-P86 HydrophobicContact CB-CG 4.23Å; C14-P86 VanDerWaalsContact SG-CG 3.5Å
15N95.5Very high91.5Very high1 Ų119.2 Ų19.21%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-116.7141.1-175.4-67.8-43.7000109.7L3 Y4 C5 M25 L26 Y499L3-N15 HydrophobicContact CD1-CB 4.03Å; Y4-N15 CarbonylContact O-C 3.53Å; Y4-N15 WeakPolarHBondContact O-CA 3.45Å; C5-N15 PolarHBondContact SG-OD1 3.4Å; N15-M25 CarbonylContact O-C 3.56Å; N15-M25 WeakPolarHBondContact O-CA 3.36Å; N15-L26 HydrophobicContact CB-CB 4.42Å; N15-L26 PolarHBondContact N-O 2.9Å; N15-L26 VanDerWaalsContact N-O 3.09Å; N15-L26 PolarHBondContact O-N 2.87Å; N15-Y499 PolarHBondContact ND2-OH 3.12Å
16V96.9Very high91.6Very high0 Ų019.1 Ų19.10%011%0.108CC..EExtended strand (participates in β ladder)trans-117.8120.9177.2-176.40000110.1L3 Y4 L6 T23 I24 M25 L91 I96L3-V16 CarbonylContact C-O 3.59Å; L3-V16 WeakPolarHBondContact CA-O 3.45Å; Y4-V16 PolarHBondContact N-O 2.88Å; Y4-V16 PolarHBondContact O-N 3.3Å; L6-V16 HydrophobicContact CD1-CG2 3.72Å; L6-V16 HydrophobicContact CG-CG2 4.24Å; V16-T23 HydrophobicContact CG1-CG2 3.37Å; V16-I24 CarbonylContact C-O 3.57Å; V16-I24 WeakPolarHBondContact CA-O 3.42Å; V16-M25 HydrophobicContact CG2-CB 4.17Å; V16-M25 HydrophobicContact CG2-CG 4.03Å; V16-L91 HydrophobicContact CB-CD2 3.96Å; V16-L91 HydrophobicContact CG1-CD2 3.65Å; V16-L91 HydrophobicContact CG2-CD2 3.85Å; V16-I96 HydrophobicContact CG2-CD1 4.23Å
17L95.6Very high91.9Very high1 Ų119.1 Ų19.11%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-96.9113.7177-166.869.4000109.7M1 L3 I24 L26 I227 V234 L507M1-L17 HydrophobicContact CE-CD2 4.09Å; M1-L17 HydrophobicContact CE-CG 4.46Å; M1-L17 HydrophobicContact CG-CD1 3.68Å; M1-L17 HydrophobicContact CG-CG 3.95Å; M1-L17 HydrophobicContact SD-CD1 3.44Å; M1-L17 WeakPolarHBondContact SD-CD1 3.3Å; M1-L17 HydrophobicContact SD-CD2 3.71Å; M1-L17 HydrophobicContact SD-CG 3.69Å; L3-L17 HydrophobicContact CD1-CD1 4.04Å; L17-I24 PolarHBondContact N-O 3.08Å; L17-I24 PolarHBondContact O-N 3.16Å; L17-L26 HydrophobicContact CB-CD1 4.49Å; L17-I227 HydrophobicContact CD2-CD1 4.04Å; L17-I227 HydrophobicContact CD2-CG2 4.44Å; L17-V234 HydrophobicContact CD2-CG1 4.49Å; L17-L507 HydrophobicContact CD1-CD1 3.63Å
18K93Very high92.1Very high84 Ų8418.5 Ų18.537%0.36510%0.103SC..EExtended strand (participates in β ladder)trans-99.6119.1173.9-166.8167.8-173.3163.80110.7M1 K2 Y4M1-K18 VanDerWaalsContact CA-O 3.31Å; M1-K18 WeakPolarHBondContact CA-O 3.31Å; M1-K18 VanDerWaalsContact CG-O 3.28Å; M1-K18 WeakPolarHBondContact CG-O 3.49Å; K2-K18 PolarHBondContact N-O 3.37Å; K2-K18 PolarHBondContact O-N 3.08Å; Y4-K18 HydrophobicContact CE2-CB 3.87Å; Y4-K18 HydrophobicContact CE2-CD 4.37Å
19F88.1Confident92.6Very high21 Ų2117.4 Ų17.49%0.0929%0.092CC..EExtended strand (participates in β ladder)trans-136.1121.2178.3-176.1-110.1000111.1M1 S21 T22 V209M1-F19 HydrophobicContact CB-CD2 4.09Å; M1-F19 HydrophobicContact CE-CB 3.68Å; M1-F19 HydrophobicContact CE-CD1 4.35Å; M1-F19 HydrophobicContact CE-CD2 3.31Å; M1-F19 HydrophobicContact CE-CE2 3.97Å; M1-F19 HydrophobicContact CE-CG 3.52Å; M1-F19 HydrophobicContact CG-CB 4.03Å; M1-F19 HydrophobicContact CG-CD2 4.04Å; M1-F19 HydrophobicContact CG-CG 4.48Å; M1-F19 HydrophobicContact SD-CD2 4.42Å; F19-S21 PolarHBondContact O-N 3.1Å; F19-T22 PolarHBondContact N-O 3.27Å; F19-T22 WeakPolarHBondContact O-CA 3.45Å; F19-T22 PolarHBondContact O-N 3.3Å; F19-T22 VanDerWaalsContact O-O 3.05Å; F19-V209 HydrophobicContact CD1-CG1 3.54Å; F19-V209 HydrophobicContact CE1-CG1 3.75Å; F19-V209 HydrophobicContact CG-CG1 4.5Å
20K83.2Confident92.9Very high87 Ų8716.1 Ų16.138%0.3789%0.086SC..THydrogen-bonded Turntrans49.9-126.2-172-57.3-170.1-176.9-162.80110.7T22 E514K20-T22 VanDerWaalsContact C-N 3.34Å; K20-E514 VanDerWaalsContact CE-OE1 3.3Å; K20-E514 WeakPolarHBondContact CE-OE1 3.46Å; K20-E514 IonicContact NZ-OE1 3.34Å; K20-E514 PolarHBondContact NZ-OE1 3.48Å
21S83.6Confident93Very high84 Ų8416.3 Ų16.359%0.5879%0.086SC*.THydrogen-bonded Turntrans-87.53175.960.80000114F19 N549F19-S21 PolarHBondContact O-N 3.1Å; S21-N549 PolarHBondContact OG-ND2 3.44Å; S21-N549 VanDerWaalsContact OG-ND2 3.09Å
22T90.6Very high93.1Very high1 Ų117 Ų171%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-106.6133.8-176.4-50.10000111.4F19 K20 I24 D97 F206 A208F19-T22 PolarHBondContact N-O 3.27Å; F19-T22 WeakPolarHBondContact O-CA 3.45Å; F19-T22 PolarHBondContact O-N 3.3Å; F19-T22 VanDerWaalsContact O-O 3.05Å; K20-T22 VanDerWaalsContact C-N 3.34Å; T22-I24 HydrophobicContact CG2-CD1 4.2Å; T22-I24 HydrophobicContact CG2-CG1 3.81Å; T22-D97 WeakPolarHBondContact CA-OD2 3.45Å; T22-F206 HydrophobicContact CG2-CD2 3.77Å; T22-F206 HydrophobicContact CG2-CE2 4.09Å; T22-A208 WeakPolarHBondContact OG1-CB 3.44Å
23T95.6Very high93.1Very high5 Ų518.5 Ų18.53%0.03110%0.1CC..EExtended strand (participates in β ladder)trans-118.8111.6178.5-51.80000109.1V16 L91 T95 I96 D97 V98V16-T23 HydrophobicContact CG1-CG2 3.37Å; T23-L91 HydrophobicContact CG2-CD2 4.38Å; T23-T95 VanDerWaalsContact CB-O 3.32Å; T23-T95 WeakPolarHBondContact CB-O 3.15Å; T23-T95 PolarHBondContact OG1-O 3.25Å; T23-I96 HydrophobicContact CG2-CG1 4.14Å; T23-D97 PolarHBondContact N-OD2 3.2Å; T23-D97 PolarHBondContact O-N 2.91Å; T23-V98 PolarHBondContact O-N 2.87Å
24I97.4Very high93.2Very high1 Ų118.6 Ų18.61%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-113.8118.4-174-52.7174.3000108.9V16 L17 T22 L26 V98 L100 L205 V209 I227V16-I24 CarbonylContact C-O 3.57Å; V16-I24 WeakPolarHBondContact CA-O 3.42Å; L17-I24 PolarHBondContact N-O 3.08Å; L17-I24 PolarHBondContact O-N 3.16Å; T22-I24 HydrophobicContact CG2-CD1 4.2Å; T22-I24 HydrophobicContact CG2-CG1 3.81Å; I24-L26 HydrophobicContact CG2-CD2 4.04Å; I24-V98 CarbonylContact C-O 3.57Å; I24-V98 WeakPolarHBondContact CA-O 3.4Å; I24-L100 HydrophobicContact CG2-CD1 3.84Å; I24-L100 HydrophobicContact CG2-CG 3.83Å; I24-L205 HydrophobicContact CD1-CD1 3.92Å; I24-L205 HydrophobicContact CG1-CD1 4.41Å; I24-V209 HydrophobicContact CD1-CG2 3.67Å; I24-I227 HydrophobicContact CD1-CG2 4.33Å
25M97.4Very high93.2Very high0 Ų018.6 Ų18.60%010%0.101CC..EExtended strand (participates in β ladder)trans-84.9130169.6-172.1167.9-175.800109.9L6 C14 N15 V16 D27 C28 I96 V98 I99 L100 I113L6-M25 HydrophobicContact CD1-CE 4.25Å; C14-M25 HydrophobicContact CB-CE 3.89Å; N15-M25 CarbonylContact O-C 3.56Å; N15-M25 WeakPolarHBondContact O-CA 3.36Å; V16-M25 HydrophobicContact CG2-CB 4.17Å; V16-M25 HydrophobicContact CG2-CG 4.03Å; M25-D27 WeakPolarHBondContact CE-O 3.32Å; M25-C28 HydrophobicContact CE-CB 3.87Å; M25-I96 HydrophobicContact CB-CD1 4.21Å; M25-I96 HydrophobicContact CB-CG2 3.84Å; M25-I96 HydrophobicContact SD-CD1 3.79Å; M25-V98 PolarHBondContact N-O 3.1Å; M25-I99 HydrophobicContact CB-CB 4.43Å; M25-I99 HydrophobicContact CB-CG1 4.08Å; M25-I99 HydrophobicContact CB-CG2 4.32Å; M25-I99 HydrophobicContact CG-CG2 4.44Å; M25-I99 CarbonylContact O-C 3.41Å; M25-I99 WeakPolarHBondContact O-CA 3.4Å; M25-I99 HydrophobicContact SD-CD1 4.41Å; M25-L100 PolarHBondContact O-N 3.13Å; M25-I113 HydrophobicContact CE-CD1 3.62Å; M25-I113 HydrophobicContact SD-CD1 4.04Å
26L97.3Very high93.2Very high0 Ų019.3 Ų19.30%010%0.104CC..EExtended strand (participates in β ladder)trans-104.5110.1175.7-52.1177000107.2N15 L17 I24 L100 I227 Y236 I262N15-L26 HydrophobicContact CB-CB 4.42Å; N15-L26 PolarHBondContact N-O 2.9Å; N15-L26 VanDerWaalsContact N-O 3.09Å; N15-L26 PolarHBondContact O-N 2.87Å; L17-L26 HydrophobicContact CB-CD1 4.49Å; I24-L26 HydrophobicContact CG2-CD2 4.04Å; L26-L100 HydrophobicContact CD2-CB 4.37Å; L26-L100 HydrophobicContact CD2-CD1 3.91Å; L26-L100 HydrophobicContact CD2-CG 4.44Å; L26-I227 HydrophobicContact CD1-CD1 4.4Å; L26-I227 HydrophobicContact CD2-CD1 3.6Å; L26-Y236 HydrophobicContact CB-CD1 4.26Å; L26-Y236 HydrophobicContact CB-CD2 4.37Å; L26-Y236 HydrophobicContact CB-CE1 4.01Å; L26-Y236 HydrophobicContact CB-CE2 4.14Å; L26-Y236 HydrophobicContact CB-CG 4.44Å; L26-Y236 HydrophobicContact CD1-CD2 3.76Å; L26-Y236 HydrophobicContact CD1-CE2 4.2Å; L26-Y236 HydrophobicContact CD1-CG 3.96Å; L26-I262 HydrophobicContact CD1-CD1 4.11Å
27D97.5Very high93.1Very high0 Ų020.7 Ų20.70%011%0.111CC..  trans59.5153.2-174.9-67.5-34.5000114.8P13 M25 L100 S102 C106 Y236 S238P13-D27 HydrophobicContact CG-CB 4.15Å; P13-D27 WeakPolarHBondContact O-CB 3.2Å; M25-D27 WeakPolarHBondContact CE-O 3.32Å; D27-L100 PolarHBondContact N-O 3.23Å; D27-S102 VanDerWaalsContact OD1-CB 3.26Å; D27-S102 WeakPolarHBondContact OD1-CB 3.4Å; D27-S102 PolarHBondContact OD1-N 3.39Å; D27-C106 HydrophobicContact CB-CB 3.79Å; D27-C106 WeakPolarHBondContact OD1-CB 3.43Å; D27-Y236 WeakPolarHBondContact OD2-CE1 3.39Å; D27-Y236 VanDerWaalsContact OD2-CZ 3.29Å; D27-Y236 PolarHBondContact OD2-OH 2.84Å; D27-S238 PolarHBondContact OD2-OG 3.31Å
28C93.9Very high93.1Very high0 Ų020.7 Ų20.70%011%0.111CC..  trans-133.965.9169.555.20000110.6M25 I101 C106 A109 I113M25-C28 HydrophobicContact CE-CB 3.87Å; C28-I101 WeakPolarHBondContact SG-CD1 3.45Å; C28-C106 CarbonylContact C-O 3.35Å; C28-C106 WeakPolarHBondContact CA-O 3.5Å; C28-C106 PolarHBondContact N-O 3.31Å; C28-C106 CarbonylContact O-C 3.37Å; C28-A109 HydrophobicContact CB-CB 4.34Å; C28-A109 VanDerWaalsContact O-CB 3.23Å; C28-A109 WeakPolarHBondContact O-CB 3.41Å; C28-A109 PolarHBondContact O-N 3.08Å; C28-I113 HydrophobicContact CB-CD1 3.36Å
29G93.4Very high93.2Very high2 Ų216.8 Ų16.82%0.0219%0.094CC..  trans-63.2144.2174.200000113P13 C14 C106P13-G29 PolarHBondContact O-N 2.98Å; C14-G29 PolarHBondContact SG-N 3.12Å; C14-G29 PolarHBondContact SG-O 2.98Å; G29-C106 PolarHBondContact N-O 3.47Å
30L94.1Very high93.6Very high2 Ų215.9 Ų15.91%0.019%0.09CC..  trans-106.9120.1172.9-175.967.1000109.5L12 T32 F83 L85 M108 A109 Y112L12-L30 WeakPolarHBondContact CD1-O 3.47Å; L30-T32 HydrophobicContact CD2-CG2 4.29Å; L30-T32 HydrophobicContact CG-CG2 4.36Å; L30-T32 PolarHBondContact O-N 2.93Å; L30-F83 HydrophobicContact CD1-CB 3.78Å; L30-F83 HydrophobicContact CD2-CB 3.97Å; L30-F83 HydrophobicContact CD2-CD1 3.77Å; L30-F83 HydrophobicContact CD2-CE1 4.49Å; L30-F83 HydrophobicContact CD2-CG 3.89Å; L30-F83 HydrophobicContact CG-CB 4.02Å; L30-F83 HydrophobicContact CG-CD1 4.32Å; L30-F83 HydrophobicContact CG-CG 4.42Å; L30-L85 HydrophobicContact CD1-CD2 3.69Å; L30-M108 HydrophobicContact CB-CB 3.51Å; L30-M108 HydrophobicContact CD2-CB 4.29Å; L30-A109 HydrophobicContact CB-CB 4.09Å; L30-A109 HydrophobicContact CD1-CB 4.19Å; L30-Y112 HydrophobicContact CD1-CD2 4.04Å; L30-Y112 HydrophobicContact CD1-CE2 3.78Å; L30-Y112 HydrophobicContact CD2-CE2 4Å
31D91Very high94.1Very high30 Ų3011.9 Ų11.916%0.167%0.073CC..BIsolated β-bridgetrans-76.2100.1175.6177.98.4000110.6H9 T33 S34 C84H9-D31 IonicContact CD2-OD1 2.8Å; D31-T33 WeakPolarHBondContact OD1-CB 3.31Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.49Å; D31-T33 PolarHBondContact OD1-N 3.24Å; D31-T33 PolarHBondContact OD1-OG1 3.03Å; D31-S34 PolarHBondContact O-OG 2.89Å; D31-S34 VanDerWaalsContact O-OG 3.07Å; D31-C84 HydrophobicContact CB-CB 4.04Å; D31-C84 PolarHBondContact N-O 3.5Å; D31-C84 PolarHBondContact O-N 2.78Å
32T91.8Very high94.5Very high21 Ų219 Ų913%0.1295%0.052CC..  trans-85.8-5-179.257.90000113.1L30 S34 V35 F83 F427L30-T32 HydrophobicContact CD2-CG2 4.29Å; L30-T32 HydrophobicContact CG-CG2 4.36Å; L30-T32 PolarHBondContact O-N 2.93Å; T32-S34 PolarHBondContact O-N 2.81Å; T32-V35 WeakPolarHBondContact O-CG1 3.43Å; T32-V35 WeakPolarHBondContact O-CG2 3.35Å; T32-V35 PolarHBondContact O-N 2.88Å; T32-V35 VanDerWaalsContact O-N 3.09Å; T32-F83 HydrophobicContact CG2-CD1 3.97Å; T32-F83 HydrophobicContact CG2-CE1 4.11Å; T32-F427 WeakPolarHBondContact OG1-CZ 3.3Å
33T91.9Very high94.3Very high46 Ų4611 Ų1128%0.2826%0.062SC..G310 helixtrans-62.8-27.4-179.365.40000112.5D31 V35 L36D31-T33 WeakPolarHBondContact OD1-CB 3.31Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.49Å; D31-T33 PolarHBondContact OD1-N 3.24Å; D31-T33 PolarHBondContact OD1-OG1 3.03Å; T33-V35 PolarHBondContact O-N 2.8Å; T33-V35 VanDerWaalsContact O-N 3.12Å; T33-L36 WeakPolarHBondContact O-CB 3.44Å; T33-L36 WeakPolarHBondContact O-CG 3.45Å; T33-L36 PolarHBondContact O-N 3.25Å
34S93.5Very high93.8Very high5 Ų514.3 Ų14.34%0.0358%0.083CC..G310 helixtrans-50-31.8171.847.40000113.9D31 T32 L36 Q37 E82 F83 C84D31-S34 PolarHBondContact O-OG 2.89Å; D31-S34 VanDerWaalsContact O-OG 3.07Å; T32-S34 PolarHBondContact O-N 2.81Å; S34-L36 PolarHBondContact O-N 2.84Å; S34-Q37 WeakPolarHBondContact O-CB 3.49Å; S34-Q37 WeakPolarHBondContact O-CG 3.47Å; S34-Q37 PolarHBondContact O-N 3.28Å; S34-E82 PolarHBondContact OG-O 2.84Å; S34-E82 VanDerWaalsContact OG-O 3.11Å; S34-F83 WeakPolarHBondContact OG-CA 3.32Å; S34-C84 PolarHBondContact OG-N 2.84Å
35V95.5Very high93.3Very high0 Ų021.1 Ų21.10%011%0.114CC..G310 helixtrans-64.3-24.4179.9-52.20000112.7T32 T33 Q37 F38 P81 F83 R401 F402 F427T32-V35 WeakPolarHBondContact O-CG1 3.43Å; T32-V35 WeakPolarHBondContact O-CG2 3.35Å; T32-V35 PolarHBondContact O-N 2.88Å; T32-V35 VanDerWaalsContact O-N 3.09Å; T33-V35 PolarHBondContact O-N 2.8Å; T33-V35 VanDerWaalsContact O-N 3.12Å; V35-Q37 PolarHBondContact O-N 3.33Å; V35-Q37 VanDerWaalsContact O-N 3.11Å; V35-F38 PolarHBondContact O-N 3.19Å; V35-P81 HydrophobicContact CB-CB 4.06Å; V35-P81 HydrophobicContact CG1-CB 3.93Å; V35-F83 HydrophobicContact CG1-CD1 3.88Å; V35-F83 HydrophobicContact CG1-CE1 3.52Å; V35-F83 HydrophobicContact CG1-CZ 4.06Å; V35-R401 HydrophobicContact CB-CG 4.49Å; V35-R401 HydrophobicContact CG2-CB 4.48Å; V35-R401 HydrophobicContact CG2-CG 4.16Å; V35-R401 WeakPolarHBondContact O-CG 3.38Å; V35-F402 HydrophobicContact CB-CE1 4.25Å; V35-F402 HydrophobicContact CG1-CE1 4.17Å; V35-F402 HydrophobicContact CG2-CE1 4.14Å; V35-F427 HydrophobicContact CG2-CE1 4.18Å
36L95.7Very high92.9Very high15 Ų1521.5 Ų21.58%0.07912%0.117CC..G310 helixtrans-61.3-21.5178.8-67.6178.6000113T33 S34 F38 R401 F427 D431 A432T33-L36 WeakPolarHBondContact O-CB 3.44Å; T33-L36 WeakPolarHBondContact O-CG 3.45Å; T33-L36 PolarHBondContact O-N 3.25Å; S34-L36 PolarHBondContact O-N 2.84Å; L36-F38 VanDerWaalsContact C-N 3.26Å; L36-F38 PolarHBondContact O-N 2.82Å; L36-R401 PolarHBondContact O-NE 2.78Å; L36-R401 PolarHBondContact O-NH2 3.31Å; L36-F427 HydrophobicContact CD1-CD1 3.9Å; L36-F427 HydrophobicContact CD2-CD1 3.95Å; L36-F427 HydrophobicContact CG-CD1 3.86Å; L36-F427 HydrophobicContact CG-CE1 4.45Å; L36-D431 HydrophobicContact CD1-CB 4Å; L36-A432 HydrophobicContact CD2-CB 4.18Å
37Q95.3Very high92.5Very high29 Ų2925 Ų2514%0.13614%0.139CC..G310 helixtrans-75.1-13.9177.4-54.8-49.4-30.700113.7S34 V35 F76 V77 L169 W178S34-Q37 WeakPolarHBondContact O-CB 3.49Å; S34-Q37 WeakPolarHBondContact O-CG 3.47Å; S34-Q37 PolarHBondContact O-N 3.28Å; V35-Q37 PolarHBondContact O-N 3.33Å; V35-Q37 VanDerWaalsContact O-N 3.11Å; Q37-F76 CarbonylContact O-C 3.44Å; Q37-F76 WeakPolarHBondContact O-CA 3.5Å; Q37-V77 PolarHBondContact O-N 3.33Å; Q37-L169 HydrophobicContact CB-CD2 3.76Å; Q37-L169 HydrophobicContact CG-CD2 4.11Å; Q37-W178 HydrophobicContact CG-CH2 4.13Å; Q37-W178 HydrophobicContact CG-CZ3 4.47Å
38F95.6Very high92.2Very high1 Ų128.4 Ų28.40%0.00415%0.152CC..BIsolated β-bridgetrans-96156.5-177.6-65-99.3000111.2V35 L36 V77 Q80 P81 E82 W156 W178 R401V35-F38 PolarHBondContact O-N 3.19Å; L36-F38 VanDerWaalsContact C-N 3.26Å; L36-F38 PolarHBondContact O-N 2.82Å; F38-V77 CarbonylContact C-O 3.52Å; F38-V77 WeakPolarHBondContact CA-O 3.22Å; F38-V77 HydrophobicContact CD1-CB 3.67Å; F38-V77 HydrophobicContact CD1-CG1 3.75Å; F38-V77 HydrophobicContact CE1-CB 3.89Å; F38-V77 HydrophobicContact CE1-CG1 3.62Å; F38-V77 HydrophobicContact CG-CB 4.22Å; F38-Q80 WeakPolarHBondContact CD1-O 3.13Å; F38-Q80 WeakPolarHBondContact CE1-O 3.1Å; F38-P81 HydrophobicContact CB-CB 4.46Å; F38-P81 HydrophobicContact CB-CG 4.25Å; F38-P81 HydrophobicContact CD2-CB 4.36Å; F38-P81 HydrophobicContact CG-CB 4.3Å; F38-E82 HydrophobicContact CE1-CG 4.33Å; F38-E82 HydrophobicContact CE2-CB 4.26Å; F38-E82 HydrophobicContact CZ-CB 3.8Å; F38-E82 HydrophobicContact CZ-CG 3.92Å; F38-W156 HydrophobicContact CZ-CZ2 4.3Å; F38-W178 HydrophobicContact CE2-CE3 4.19Å; F38-W178 AromaticContact CE2-CZ3 3.97Å; F38-W178 HydrophobicContact CE2-CZ3 3.97Å; F38-W178 HydrophobicContact CZ-CE3 4.36Å; F38-W178 HydrophobicContact CZ-CZ3 4.43Å; F38-R401 WeakPolarHBondContact O-CD 3.2Å; F38-R401 PolarHBondContact O-NE 2.99Å
39L95.4Very high92Very high3 Ų329 Ų292%0.01616%0.155CC..PPolyproline II helixtrans-69.7150168.4-77.7-177000111.2L49 L52 K69 F76 V77 D78 P435L39-L49 HydrophobicContact CD2-CD2 4.42Å; L39-L52 HydrophobicContact CD1-CD1 4.19Å; L39-L52 HydrophobicContact CD2-CD1 3.86Å; L39-K69 HydrophobicContact CD1-CB 3.73Å; L39-K69 HydrophobicContact CD1-CG 3.7Å; L39-K69 HydrophobicContact CG-CB 4.44Å; L39-F76 HydrophobicContact CD2-CB 3.56Å; L39-F76 HydrophobicContact CD2-CD2 4.07Å; L39-F76 HydrophobicContact CD2-CG 3.89Å; L39-F76 HydrophobicContact CG-CB 3.72Å; L39-V77 PolarHBondContact N-O 2.93Å; L39-D78 HydrophobicContact CD1-CB 4.03Å; L39-P435 HydrophobicContact CD2-CB 4.34Å
40P95.7Very high91.7Very high1 Ų131.7 Ų31.71%0.00617%0.174CC..PPolyproline II helixtrans-56.7150172.9-22.532.7000112.8P42 L49 R401 V406 P435 Y436P40-P42 WeakPolarHBondContact O-CD 3.34Å; P40-L49 HydrophobicContact CB-CD1 4.22Å; P40-L49 HydrophobicContact CG-CD1 4.5Å; P40-R401 CarbonylContact C-O 3.56Å; P40-R401 WeakPolarHBondContact CA-O 3.43Å; P40-V406 HydrophobicContact CB-CG1 3.76Å; P40-V406 HydrophobicContact CB-CG2 4.3Å; P40-P435 HydrophobicContact CG-CB 3.85Å; P40-P435 HydrophobicContact CG-CG 4.24Å; P40-Y436 WeakPolarHBondContact CB-OH 3.39Å; P40-Y436 HydrophobicContact CG-CE1 4.18Å; P40-Y436 HydrophobicContact CG-CE2 3.92Å; P40-Y436 WeakPolarHBondContact CG-OH 3.26Å
41L93.7Very high91.6Very high3 Ų339.6 Ų39.62%0.01621%0.208CC..  trans-10089.3173.5-61.2-173.4000109.3P81 M144 V147 K149 R401L41-P81 HydrophobicContact CD1-CG 4.21Å; L41-P81 HydrophobicContact CG-CG 4.42Å; L41-M144 HydrophobicContact CD1-CE 4.01Å; L41-M144 HydrophobicContact CD1-SD 4.4Å; L41-V147 HydrophobicContact CB-CB 4.12Å; L41-V147 HydrophobicContact CB-CG1 4.03Å; L41-K149 HydrophobicContact CD2-CD 3.63Å; L41-K149 VanDerWaalsContact CD2-CE 3.46Å; L41-K149 HydrophobicContact CD2-CG 3.89Å; L41-R401 PolarHBondContact N-O 3.38Å
42P91.4Very high91.8Very high25 Ų2539.1 Ų39.116%0.16221%0.205CC..  trans-75.6135.7179.835-38.7000110.3P40 V44 L49 V406P40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-V44 VanDerWaalsContact CB-O 3.3Å; P42-V44 WeakPolarHBondContact CB-O 3.27Å; P42-V44 PolarHBondContact O-N 2.92Å; P42-L49 HydrophobicContact CB-CD1 4.47Å; P42-L49 HydrophobicContact CG-CD1 4.04Å; P42-V406 HydrophobicContact CB-CG1 4.04Å
43L87.1Confident91.9Very high41 Ų4141.7 Ų41.722%0.21522%0.222CC..SBendtrans-60.5-30.2176.2-70.3167.8000112.8R146 V147 I379 D404 H407L43-R146 HydrophobicContact CD2-CB 4.41Å; L43-V147 HydrophobicContact CD2-CG2 3.72Å; L43-V147 HydrophobicContact CG-CG2 4.44Å; L43-I379 HydrophobicContact CD1-CD1 3.49Å; L43-I379 VanDerWaalsContact CD1-CD1 3.49Å; L43-I379 HydrophobicContact CD1-CG1 4Å; L43-D404 WeakPolarHBondContact CD1-OD1 3.27Å; L43-H407 HydrophobicContact CD1-CB 4.41Å
44V85.9Confident91.9Very high76 Ų7640.6 Ų40.646%0.46122%0.22SC..SBendtrans-121.1155.2177.7-64.90000109.6P42 S46P42-V44 VanDerWaalsContact CB-O 3.3Å; P42-V44 WeakPolarHBondContact CB-O 3.27Å; P42-V44 PolarHBondContact O-N 2.92Å; V44-S46 PolarHBondContact O-N 2.99Å; V44-S46 VanDerWaalsContact O-N 3.09Å
45H86.3Confident91.9Very high144 Ų14441.2 Ų41.267%0.66722%0.221SC*.  trans-54.9120.6178.5-178.777.7000111P47 S50H45-P47 WeakPolarHBondContact O-CD 3.47Å; H45-S50 PolarHBondContact CE1-OG 2.94Å; H45-S50 PolarHBondContact NE2-OG 2.7Å
46S89.1Confident91.7Very high7 Ų743.4 Ų43.45%0.04924%0.235CC..  trans-97.4111170.8172.90000109.6V44 R48 L49 S50 E410V44-S46 PolarHBondContact O-N 2.99Å; V44-S46 VanDerWaalsContact O-N 3.09Å; S46-R48 PolarHBondContact O-N 3.09Å; S46-R48 PolarHBondContact OG-N 2.87Å; S46-L49 PolarHBondContact O-N 3.33Å; S46-L49 PolarHBondContact OG-N 3.49Å; S46-S50 WeakPolarHBondContact O-CB 3.41Å; S46-S50 PolarHBondContact O-N 2.93Å; S46-S50 VanDerWaalsContact O-N 3.08Å; S46-S50 PolarHBondContact O-OG 2.77Å; S46-S50 VanDerWaalsContact O-OG 3.12Å; S46-E410 PolarHBondContact OG-OE2 3.15Å
47P88Confident91.3Very high73 Ų7343.5 Ų43.547%0.47424%0.237SC..Hα-helixtrans-61.6-23.1174.8-22.933.8000113.2H45 S50 K51H45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-S50 WeakPolarHBondContact CA-OG 3.28Å; P47-S50 PolarHBondContact O-OG 3.34Å; P47-K51 WeakPolarHBondContact O-CB 3.46Å; P47-K51 WeakPolarHBondContact O-CD 3.29Å; P47-K51 WeakPolarHBondContact O-CG 3.4Å; P47-K51 PolarHBondContact O-N 3.35Å
48R91.1Very high90.6Very high73 Ų7352.2 Ų52.228%0.27527%0.274SS..Hα-helixtrans-73.7-53.1179.7179.4-166.172.592-1.5110.3S46 K51 E410 P435S46-R48 PolarHBondContact O-N 3.09Å; S46-R48 PolarHBondContact OG-N 2.87Å; R48-K51 PolarHBondContact O-N 2.82Å; R48-E410 IonicContact CZ-OE1 2.63Å; R48-E410 IonicContact NE-OE1 3.96Å; R48-E410 PolarHBondContact NE-OE1 3.29Å; R48-E410 IonicContact NE-OE2 2.67Å; R48-E410 PolarHBondContact NE-OE2 2.96Å; R48-E410 IonicContact NH2-OE1 3.68Å; R48-E410 PolarHBondContact NH2-OE1 3.34Å; R48-P435 PolarHBondContact NH1-O 3.23Å; R48-P435 PolarHBondContact NH2-O 2.93Å
49L90.3Very high89.9Confident12 Ų1258.6 Ų58.66%0.06331%0.309CS..Hα-helixtrans-65.1-39.9179.3-70175.5000111.8L39 P40 P42 S46 K51 L52L39-L49 HydrophobicContact CD2-CD2 4.42Å; P40-L49 HydrophobicContact CB-CD1 4.22Å; P40-L49 HydrophobicContact CG-CD1 4.5Å; P42-L49 HydrophobicContact CB-CD1 4.47Å; P42-L49 HydrophobicContact CG-CD1 4.04Å; S46-L49 PolarHBondContact O-N 3.33Å; S46-L49 PolarHBondContact OG-N 3.49Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 2.82Å; L49-L52 HydrophobicContact CD2-CD1 3.91Å; L49-L52 WeakPolarHBondContact O-CB 3.46Å; L49-L52 WeakPolarHBondContact O-CG 3.48Å; L49-L52 PolarHBondContact O-N 2.82Å
50S88.4Confident89.1Confident58 Ų5860.9 Ų60.941%0.40633%0.333SS..Hα-helixtrans-67.8-27.9-179.263.20000113.8H45 S46 P47H45-S50 PolarHBondContact CE1-OG 2.94Å; H45-S50 PolarHBondContact NE2-OG 2.7Å; S46-S50 WeakPolarHBondContact O-CB 3.41Å; S46-S50 PolarHBondContact O-N 2.93Å; S46-S50 VanDerWaalsContact O-N 3.08Å; S46-S50 PolarHBondContact O-OG 2.77Å; S46-S50 VanDerWaalsContact O-OG 3.12Å; P47-S50 WeakPolarHBondContact CA-OG 3.28Å; P47-S50 PolarHBondContact O-OG 3.34Å
51K91.8Very high88.4Confident169 Ų16966 Ų6674%0.73536%0.364SS*.THydrogen-bonded Turntrans-89.84178.7-69.4178.5-176.2-177.70113.9P47 R48 L49P47-K51 WeakPolarHBondContact O-CB 3.46Å; P47-K51 WeakPolarHBondContact O-CD 3.29Å; P47-K51 WeakPolarHBondContact O-CG 3.4Å; P47-K51 PolarHBondContact O-N 3.35Å; R48-K51 PolarHBondContact O-N 2.82Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 2.82Å
52L93.7Very high88Confident20 Ų2067.4 Ų67.411%0.10537%0.371CS..PPolyproline II helixtrans-60.4137.5176-69.6175.7000110.4L39 L49 K69 C71L39-L52 HydrophobicContact CD1-CD1 4.19Å; L39-L52 HydrophobicContact CD2-CD1 3.86Å; L49-L52 HydrophobicContact CD2-CD1 3.91Å; L49-L52 WeakPolarHBondContact O-CB 3.46Å; L49-L52 WeakPolarHBondContact O-CG 3.48Å; L49-L52 PolarHBondContact O-N 2.82Å; L52-K69 HydrophobicContact CB-CB 4.19Å; L52-K69 HydrophobicContact CB-CD 4.22Å; L52-K69 HydrophobicContact CB-CG 4.5Å; L52-K69 WeakPolarHBondContact O-CD 3.32Å; L52-K69 PolarHBondContact O-NZ 3.39Å; L52-C71 HydrophobicContact CD1-CB 4.22Å; L52-C71 HydrophobicContact CD2-CB 3.99Å
53P94.4Very high87.8Confident75 Ų7570.8 Ų70.849%0.48739%0.388SS..PPolyproline II helixtrans-61.4143.1176.922.7-30.1000110.7K69 E70P53-K69 CarbonylContact O-C 3.55Å; P53-K69 WeakPolarHBondContact O-CA 3.46Å; P53-K69 WeakPolarHBondContact O-CD 3.39Å; P53-E70 WeakPolarHBondContact CD-O 3.32Å; P53-E70 HydrophobicContact CG-CB 4.08Å; P53-E70 PolarHBondContact O-N 3.29Å
54G93.1Very high88Confident22 Ų2269.4 Ų69.423%0.22738%0.381CS..BIsolated β-bridgetrans-74.4153.2171.400000111.3L68G54-L68 WeakPolarHBondContact CA-O 3.38Å
55W93.1Very high88.1Confident18 Ų1870.2 Ų70.27%0.06838%0.379CS..PPolyproline II helixtrans-87.5133.5175.8-175.588.9000111.7I62 L64 E65 L68 E70 V75 L165W55-I62 HydrophobicContact CZ3-CG2 4.14Å; W55-L64 HydrophobicContact CE3-CB 4.13Å; W55-L64 HydrophobicContact CE3-CD1 4.13Å; W55-L64 HydrophobicContact CE3-CG 4.46Å; W55-L64 HydrophobicContact CZ3-CD1 3.94Å; W55-L64 HydrophobicContact CZ3-CG 4.46Å; W55-L64 CarbonylContact O-C 3.55Å; W55-L64 PolarHBondContact O-N 3.29Å; W55-E65 PolarHBondContact O-N 2.9Å; W55-L68 HydrophobicContact CB-CB 3.68Å; W55-L68 HydrophobicContact CB-CD1 4.47Å; W55-L68 HydrophobicContact CD2-CD1 4.28Å; W55-L68 HydrophobicContact CE3-CD1 3.99Å; W55-L68 PolarHBondContact N-O 3.34Å; W55-E70 HydrophobicContact CB-CG 4.21Å; W55-E70 HydrophobicContact CG-CG 4.49Å; W55-V75 HydrophobicContact CB-CG1 4.19Å; W55-V75 HydrophobicContact CG-CG1 4.11Å; W55-V75 HydrophobicContact CG-CG2 4.14Å; W55-L165 HydrophobicContact CD2-CD2 4.39Å; W55-L165 HydrophobicContact CE3-CD2 4.15Å; W55-L165 HydrophobicContact CH2-CD2 3.68Å; W55-L165 HydrophobicContact CZ2-CD2 3.95Å; W55-L165 HydrophobicContact CZ3-CD2 3.79Å
56V90.1Very high88.2Confident46 Ų4671.2 Ų71.228%0.27938%0.382SS..BIsolated β-bridgetrans-131.9143172-175.60000108.3E65V56-E65 HydrophobicContact CG2-CG 3.43Å; V56-E65 VanDerWaalsContact CG2-CG 3.43Å; V56-E65 WeakPolarHBondContact CG2-OE1 3.49Å
57S87.3Confident88.4Confident18 Ų1871.7 Ų71.713%0.12638%0.384CS..  trans-57.4146.8173.5179.50000111.1D59 G60 I62S57-D59 PolarHBondContact O-N 3.45Å; S57-D59 VanDerWaalsContact O-N 3.1Å; S57-G60 WeakPolarHBondContact O-CA 3.41Å; S57-G60 PolarHBondContact O-N 3.06Å; S57-I62 PolarHBondContact N-O 3.11Å
58K81.4Confident88.8Confident211 Ų21168.2 Ų68.292%0.91736%0.361SS*.THydrogen-bonded Turntrans-55.5-31.7179.7-67.4-176.3178.71800113G60K58-G60 VanDerWaalsContact C-N 3.34Å
59D81Confident88.9Confident136 Ų13666.4 Ų66.473%0.72736%0.355SS*.THydrogen-bonded Turntrans-90.31.2179.8-54-33.7000112.7S57 T61S57-D59 PolarHBondContact O-N 3.45Å; S57-D59 VanDerWaalsContact O-N 3.1Å; D59-T61 HydrophobicContact CB-CG2 4.17Å; D59-T61 PolarHBondContact O-N 3.12Å; D59-T61 VanDerWaalsContact O-N 3.13Å
60G78.8Confident89.1Confident51 Ų5169.2 Ų69.253%0.52637%0.368SS..SBendtrans71.5-1.3-178.900000115.5S57 K58 I62S57-G60 WeakPolarHBondContact O-CA 3.41Å; S57-G60 PolarHBondContact O-N 3.06Å; K58-G60 VanDerWaalsContact C-N 3.34Å; G60-I62 PolarHBondContact O-N 3.03Å
61T80Confident89.4Confident108 Ų10866.8 Ų66.866%0.66335%0.351SS*.SBendtrans-69.7-31.9-174.150.90000114D59D59-T61 HydrophobicContact CB-CG2 4.17Å; D59-T61 PolarHBondContact O-N 3.12Å; D59-T61 VanDerWaalsContact O-N 3.13Å
62I85.1Confident89.2Confident32 Ų3262.5 Ų62.516%0.16435%0.347CS..  trans-120.1117.6-179.4-60.2173.5000108.1W55 S57 G60 L64 I161 L164W55-I62 HydrophobicContact CZ3-CG2 4.14Å; S57-I62 PolarHBondContact N-O 3.11Å; G60-I62 PolarHBondContact O-N 3.03Å; I62-L64 HydrophobicContact CG2-CD1 3.96Å; I62-L64 HydrophobicContact CG2-CG 3.83Å; I62-I161 HydrophobicContact CD1-CG1 4.39Å; I62-I161 HydrophobicContact CG2-CG2 4.5Å; I62-L164 HydrophobicContact CD1-CD1 3.36Å
63N88.4Confident88.8Confident96 Ų9665.3 Ų65.351%0.51338%0.38SS..BIsolated β-bridgetrans-107.5113.7173.7-177.5-24.9000109.4E65N63-E65 PolarHBondContact ND2-OE2 3.5Å; N63-E65 VanDerWaalsContact ND2-OE2 3.17Å; N63-E65 WeakPolarHBondContact OD1-CB 3.3Å; N63-E65 WeakPolarHBondContact OD1-CG 3.4Å; N63-E65 PolarHBondContact OD1-N 3.06Å; N63-E65 PolarHBondContact OD1-OE2 3.42Å
64L90.8Very high88.7Confident13 Ų1365.7 Ų65.77%0.06837%0.372CS..  trans-121.328.7174.9-62.8169.9000111.3W55 I62 K66 E67 L68 C155 W156 I161 L165W55-L64 HydrophobicContact CE3-CB 4.13Å; W55-L64 HydrophobicContact CE3-CD1 4.13Å; W55-L64 HydrophobicContact CE3-CG 4.46Å; W55-L64 HydrophobicContact CZ3-CD1 3.94Å; W55-L64 HydrophobicContact CZ3-CG 4.46Å; W55-L64 CarbonylContact O-C 3.55Å; W55-L64 PolarHBondContact O-N 3.29Å; I62-L64 HydrophobicContact CG2-CD1 3.96Å; I62-L64 HydrophobicContact CG2-CG 3.83Å; L64-K66 PolarHBondContact O-N 3.31Å; L64-E67 PolarHBondContact O-N 3.35Å; L64-L68 HydrophobicContact CB-CB 4.26Å; L64-L68 HydrophobicContact CB-CD1 3.93Å; L64-L68 HydrophobicContact CB-CG 4Å; L64-L68 HydrophobicContact CD1-CD1 3.57Å; L64-L68 HydrophobicContact CD1-CG 4.32Å; L64-L68 HydrophobicContact CG-CD1 4.41Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-C155 HydrophobicContact CD2-CB 3.74Å; L64-W156 HydrophobicContact CD1-CB 4.28Å; L64-I161 HydrophobicContact CD1-CG2 3.67Å; L64-L165 HydrophobicContact CD1-CD2 4.37Å
65E88.9Confident88.8Confident92 Ų9265 Ų6543%0.4336%0.363SS..THydrogen-bonded Turntrans-57-25-176.9-72.2172.3155.300113.8W55 V56 N63W55-E65 PolarHBondContact O-N 2.9Å; V56-E65 HydrophobicContact CG2-CG 3.43Å; V56-E65 VanDerWaalsContact CG2-CG 3.43Å; V56-E65 WeakPolarHBondContact CG2-OE1 3.49Å; N63-E65 PolarHBondContact ND2-OE2 3.5Å; N63-E65 VanDerWaalsContact ND2-OE2 3.17Å; N63-E65 WeakPolarHBondContact OD1-CB 3.3Å; N63-E65 WeakPolarHBondContact OD1-CG 3.4Å; N63-E65 PolarHBondContact OD1-N 3.06Å; N63-E65 PolarHBondContact OD1-OE2 3.42Å
66K88.4Confident88.9Confident166 Ų16664.4 Ų64.472%0.72236%0.361SS*.THydrogen-bonded Turntrans-77.2-42.4174.9-64.9-175.9-179178.20111.2L64 Q151L64-K66 PolarHBondContact O-N 3.31Å; K66-Q151 VanDerWaalsContact C-NE2 3.31Å; K66-Q151 PolarHBondContact O-NE2 2.94Å
67E93.4Very high89.2Confident17 Ų1762.2 Ų62.28%0.07935%0.348CS..THydrogen-bonded Turntrans-90-28-172.7-66.4-165.5171.500113.7L64 D78 A153 T154 C155 W156L64-E67 PolarHBondContact O-N 3.35Å; E67-D78 PolarHBondContact O-N 3.35Å; E67-A153 HydrophobicContact CB-CB 3.82Å; E67-A153 HydrophobicContact CG-CB 3.9Å; E67-T154 PolarHBondContact OE1-N 3.25Å; E67-T154 PolarHBondContact OE2-N 2.82Å; E67-C155 WeakPolarHBondContact OE1-CB 3.49Å; E67-C155 PolarHBondContact OE1-N 3.35Å; E67-C155 PolarHBondContact OE1-SG 2.93Å; E67-C155 WeakPolarHBondContact OE2-CA 3.47Å; E67-C155 WeakPolarHBondContact OE2-CB 3.23Å; E67-C155 PolarHBondContact OE2-N 3.15Å; E67-W156 PolarHBondContact OE2-N 2.88Å
68L94.9Very high89.5Confident0 Ų062.7 Ų62.70%035%0.349CS..EExtended strand (participates in β ladder)trans-127.3138.1-169.1-62.6-175.3000111G54 W55 L64 V75 F76 V77 W156 L165 L169G54-L68 WeakPolarHBondContact CA-O 3.38Å; W55-L68 HydrophobicContact CB-CB 3.68Å; W55-L68 HydrophobicContact CB-CD1 4.47Å; W55-L68 HydrophobicContact CD2-CD1 4.28Å; W55-L68 HydrophobicContact CE3-CD1 3.99Å; W55-L68 PolarHBondContact N-O 3.34Å; L64-L68 HydrophobicContact CB-CB 4.26Å; L64-L68 HydrophobicContact CB-CD1 3.93Å; L64-L68 HydrophobicContact CB-CG 4Å; L64-L68 HydrophobicContact CD1-CD1 3.57Å; L64-L68 HydrophobicContact CD1-CG 4.32Å; L64-L68 HydrophobicContact CG-CD1 4.41Å; L64-L68 PolarHBondContact O-N 3.48Å; L68-V75 HydrophobicContact CB-CG1 3.94Å; L68-V75 HydrophobicContact CD1-CG1 4.04Å; L68-V75 HydrophobicContact CD2-CG1 4.32Å; L68-V75 HydrophobicContact CG-CG1 4.33Å; L68-F76 CarbonylContact C-O 3.55Å; L68-F76 WeakPolarHBondContact CA-O 3.43Å; L68-V77 HydrophobicContact CD2-CB 4.36Å; L68-V77 HydrophobicContact CD2-CG2 3.87Å; L68-W156 HydrophobicContact CD1-CB 4.22Å; L68-W156 HydrophobicContact CD2-CB 4.08Å; L68-W156 HydrophobicContact CD2-CG 4.22Å; L68-W156 HydrophobicContact CG-CB 4.36Å; L68-L165 HydrophobicContact CD1-CD1 4.37Å; L68-L165 HydrophobicContact CD1-CD2 3.6Å; L68-L169 HydrophobicContact CD2-CD1 4.27Å
69K94.8Very high90.1Very high34 Ų3452.7 Ų52.715%0.14831%0.306CS..EExtended strand (participates in β ladder)trans-125.5141.9-179.5-66.5-66.3-168.5176.70110.9L39 L52 P53 V75 F76 D78L39-K69 HydrophobicContact CD1-CB 3.73Å; L39-K69 HydrophobicContact CD1-CG 3.7Å; L39-K69 HydrophobicContact CG-CB 4.44Å; L52-K69 HydrophobicContact CB-CB 4.19Å; L52-K69 HydrophobicContact CB-CD 4.22Å; L52-K69 HydrophobicContact CB-CG 4.5Å; L52-K69 WeakPolarHBondContact O-CD 3.32Å; L52-K69 PolarHBondContact O-NZ 3.39Å; P53-K69 CarbonylContact O-C 3.55Å; P53-K69 WeakPolarHBondContact O-CA 3.46Å; P53-K69 WeakPolarHBondContact O-CD 3.39Å; K69-V75 CarbonylContact O-C 3.55Å; K69-V75 WeakPolarHBondContact O-CA 3.5Å; K69-F76 PolarHBondContact N-O 3.4Å; K69-F76 PolarHBondContact O-N 2.85Å; K69-D78 HydrophobicContact CG-CB 3.83Å
70E94.1Very high90.7Very high71 Ų7147.7 Ų47.733%0.33228%0.278SS..EExtended strand (participates in β ladder)trans-99134.7176.3-74.3-177-169.300111.4P53 W55 R74 V75P53-E70 WeakPolarHBondContact CD-O 3.32Å; P53-E70 HydrophobicContact CG-CB 4.08Å; P53-E70 PolarHBondContact O-N 3.29Å; W55-E70 HydrophobicContact CB-CG 4.21Å; W55-E70 HydrophobicContact CG-CG 4.49Å; E70-R74 CarbonylContact C-O 3.53Å; E70-R74 WeakPolarHBondContact CA-O 3.49Å; E70-V75 HydrophobicContact CG-CG2 4.08Å
71C93.7Very high91.4Very high7 Ų745.2 Ų45.25%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-143.4122.5172.1-1760000109.4L52 G73 R74 F76L52-C71 HydrophobicContact CD1-CB 4.22Å; L52-C71 HydrophobicContact CD2-CB 3.99Å; C71-G73 VanDerWaalsContact C-N 3.25Å; C71-G73 PolarHBondContact O-N 3.4Å; C71-G73 VanDerWaalsContact O-N 3.15Å; C71-R74 PolarHBondContact N-O 2.91Å; C71-R74 PolarHBondContact O-N 3.22Å; C71-F76 HydrophobicContact CB-CD2 4.13Å; C71-F76 HydrophobicContact CB-CE2 3.92Å
72A87.4Confident92.1Very high80 Ų8040.7 Ų40.766%0.66122%0.224SC*.THydrogen-bonded Turntrans48.541.7178.100000114.4R74 Q437A72-R74 VanDerWaalsContact C-N 3.32Å; A72-R74 PolarHBondContact O-N 2.9Å; A72-Q437 HydrophobicContact CB-CB 3.77Å
73G86.6Confident92.5Very high78 Ų7839.1 Ų39.180%0.80422%0.216SC*.THydrogen-bonded Turntrans79.77.4178.600000115.3C71C71-G73 VanDerWaalsContact C-N 3.25Å; C71-G73 PolarHBondContact O-N 3.4Å; C71-G73 VanDerWaalsContact O-N 3.15Å
74R92.4Very high92.7Very high84 Ų8434.9 Ų34.932%0.31719%0.194SC..EExtended strand (participates in β ladder)trans-114.5151.6172.9-68.3178.3171.6-153.7-0.4111E70 C71 A72 F76 D431E70-R74 CarbonylContact C-O 3.53Å; E70-R74 WeakPolarHBondContact CA-O 3.49Å; C71-R74 PolarHBondContact N-O 2.91Å; C71-R74 PolarHBondContact O-N 3.22Å; A72-R74 VanDerWaalsContact C-N 3.32Å; A72-R74 PolarHBondContact O-N 2.9Å; R74-F76 HydrophobicContact CB-CE2 3.74Å; R74-F76 HydrophobicContact CB-CZ 3.88Å; R74-D431 IonicContact CZ-OD1 3.3Å; R74-D431 VanDerWaalsContact CZ-OD1 3.23Å; R74-D431 IonicContact NH1-OD1 2.98Å; R74-D431 PolarHBondContact NH1-OD1 2.58Å; R74-D431 IonicContact NH2-OD1 2.82Å; R74-D431 PolarHBondContact NH2-OD1 2.93Å
75V94.7Very high92.7Very high6 Ų634.6 Ų34.64%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-107.8133.3-179.8-176.70000109.3W55 L68 K69 E70 P166 L169W55-V75 HydrophobicContact CB-CG1 4.19Å; W55-V75 HydrophobicContact CG-CG1 4.11Å; W55-V75 HydrophobicContact CG-CG2 4.14Å; L68-V75 HydrophobicContact CB-CG1 3.94Å; L68-V75 HydrophobicContact CD1-CG1 4.04Å; L68-V75 HydrophobicContact CD2-CG1 4.32Å; L68-V75 HydrophobicContact CG-CG1 4.33Å; K69-V75 CarbonylContact O-C 3.55Å; K69-V75 WeakPolarHBondContact O-CA 3.5Å; E70-V75 HydrophobicContact CG-CG2 4.08Å; V75-P166 HydrophobicContact CB-CG 4.01Å; V75-P166 HydrophobicContact CG2-CG 3.31Å; V75-L169 HydrophobicContact CB-CD1 4.08Å; V75-L169 HydrophobicContact CG1-CD1 3.79Å
76F95.8Very high92.6Very high6 Ų630.8 Ų30.83%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-126149-180-61.5-80.9000110.8Q37 L39 L68 K69 C71 R74 A434 P435Q37-F76 CarbonylContact O-C 3.44Å; Q37-F76 WeakPolarHBondContact O-CA 3.5Å; L39-F76 HydrophobicContact CD2-CB 3.56Å; L39-F76 HydrophobicContact CD2-CD2 4.07Å; L39-F76 HydrophobicContact CD2-CG 3.89Å; L39-F76 HydrophobicContact CG-CB 3.72Å; L68-F76 CarbonylContact C-O 3.55Å; L68-F76 WeakPolarHBondContact CA-O 3.43Å; K69-F76 PolarHBondContact N-O 3.4Å; K69-F76 PolarHBondContact O-N 2.85Å; C71-F76 HydrophobicContact CB-CD2 4.13Å; C71-F76 HydrophobicContact CB-CE2 3.92Å; R74-F76 HydrophobicContact CB-CE2 3.74Å; R74-F76 HydrophobicContact CB-CZ 3.88Å; F76-A434 HydrophobicContact CE1-CB 4.44Å; F76-A434 HydrophobicContact CZ-CB 3.73Å; F76-P435 HydrophobicContact CD1-CG 4.11Å; F76-P435 HydrophobicContact CE1-CG 3.66Å; F76-P435 HydrophobicContact CE2-CG 4.33Å; F76-P435 HydrophobicContact CZ-CB 4.44Å; F76-P435 HydrophobicContact CZ-CG 3.78Å
77V95.6Very high92.5Very high0 Ų023.6 Ų23.60%015%0.145CC..EExtended strand (participates in β ladder)trans-81.6121.7174.8-174.60000109.6Q37 F38 L39 L68 S79 A153 W156 L169Q37-V77 PolarHBondContact O-N 3.33Å; F38-V77 CarbonylContact C-O 3.52Å; F38-V77 WeakPolarHBondContact CA-O 3.22Å; F38-V77 HydrophobicContact CD1-CB 3.67Å; F38-V77 HydrophobicContact CD1-CG1 3.75Å; F38-V77 HydrophobicContact CE1-CB 3.89Å; F38-V77 HydrophobicContact CE1-CG1 3.62Å; F38-V77 HydrophobicContact CG-CB 4.22Å; L39-V77 PolarHBondContact N-O 2.93Å; L68-V77 HydrophobicContact CD2-CB 4.36Å; L68-V77 HydrophobicContact CD2-CG2 3.87Å; V77-S79 VanDerWaalsContact C-N 3.29Å; V77-S79 PolarHBondContact O-N 2.87Å; V77-S79 VanDerWaalsContact O-N 3.16Å; V77-A153 HydrophobicContact CG1-CB 3.52Å; V77-W156 HydrophobicContact CG1-CZ2 4.33Å; V77-W156 HydrophobicContact CG2-CD2 4.01Å; V77-W156 HydrophobicContact CG2-CE3 4.37Å; V77-W156 HydrophobicContact CG2-CH2 4.12Å; V77-W156 HydrophobicContact CG2-CZ2 3.78Å; V77-W156 HydrophobicContact CG2-CZ3 4.41Å; V77-L169 HydrophobicContact CG2-CD1 4.43Å; V77-L169 HydrophobicContact CG2-CD2 3.89Å
78D94.4Very high91.9Very high28 Ų2827 Ų2715%0.1516%0.159CC..  trans-89.266.6176-164.18.9000110.9L39 E67 K69 K149L39-D78 HydrophobicContact CD1-CB 4.03Å; E67-D78 PolarHBondContact O-N 3.35Å; K69-D78 HydrophobicContact CG-CB 3.83Å; D78-K149 IonicContact OD1-NZ 3.18Å; D78-K149 PolarHBondContact OD1-NZ 2.82Å
79S93.4Very high91.3Very high2 Ų235.6 Ų35.61%0.01420%0.2CC..SBendtrans-148.2-179.7177-164.30000110.6V77 Q151 S152 A153V77-S79 VanDerWaalsContact C-N 3.29Å; V77-S79 PolarHBondContact O-N 2.87Å; V77-S79 VanDerWaalsContact O-N 3.16Å; S79-Q151 PolarHBondContact OG-O 2.62Å; S79-S152 WeakPolarHBondContact OG-CA 3.44Å; S79-A153 PolarHBondContact OG-N 3.1Å
80Q92.3Very high90.9Very high30 Ų3036.5 Ų36.514%0.1421%0.205CC..  trans-63.4137.3172-171177.219.400109.5F38 M144F38-Q80 WeakPolarHBondContact CD1-O 3.13Å; F38-Q80 WeakPolarHBondContact CE1-O 3.1Å; Q80-M144 HydrophobicContact CG-SD 4.39Å
81P94.4Very high90.7Very high0 Ų033.9 Ų33.90%019%0.194CC..  trans-56.4143175.2-25.334.6000112.7V35 F38 L41 M144 F402V35-P81 HydrophobicContact CB-CB 4.06Å; V35-P81 HydrophobicContact CG1-CB 3.93Å; F38-P81 HydrophobicContact CB-CB 4.46Å; F38-P81 HydrophobicContact CB-CG 4.25Å; F38-P81 HydrophobicContact CD2-CB 4.36Å; F38-P81 HydrophobicContact CG-CB 4.3Å; L41-P81 HydrophobicContact CD1-CG 4.21Å; L41-P81 HydrophobicContact CG-CG 4.42Å; P81-M144 HydrophobicContact CG-CE 4.45Å; P81-M144 HydrophobicContact CG-SD 4.41Å; P81-F402 HydrophobicContact CG-CD1 4.31Å
82E94.6Very high90.6Very high12 Ų1238.1 Ų38.16%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-124.7155.4175.4-60.7174.6141.600109.9S34 F38 K157 W178 K179 R180S34-E82 PolarHBondContact OG-O 2.84Å; S34-E82 VanDerWaalsContact OG-O 3.11Å; F38-E82 HydrophobicContact CE1-CG 4.33Å; F38-E82 HydrophobicContact CE2-CB 4.26Å; F38-E82 HydrophobicContact CZ-CB 3.8Å; F38-E82 HydrophobicContact CZ-CG 3.92Å; E82-K157 IonicContact OE1-NZ 2.62Å; E82-K157 PolarHBondContact OE1-NZ 2.59Å; E82-K157 WeakPolarHBondContact OE2-CE 3.4Å; E82-K157 IonicContact OE2-NZ 3.06Å; E82-K157 PolarHBondContact OE2-NZ 3Å; E82-W178 HydrophobicContact CB-CB 3.99Å; E82-W178 HydrophobicContact CB-CE3 4.47Å; E82-K179 CarbonylContact C-O 3.58Å; E82-K179 VanDerWaalsContact CA-O 3.27Å; E82-K179 WeakPolarHBondContact CA-O 3.43Å; E82-K179 WeakPolarHBondContact CB-O 3.41Å; E82-R180 HydrophobicContact CG-CG 4.02Å
83F94.1Very high90.9Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-114.1141.8-171.6-55.8-88.4000110.9L30 T32 S34 V35 L85 L140 W178 K179 C181L30-F83 HydrophobicContact CD1-CB 3.78Å; L30-F83 HydrophobicContact CD2-CB 3.97Å; L30-F83 HydrophobicContact CD2-CD1 3.77Å; L30-F83 HydrophobicContact CD2-CE1 4.49Å; L30-F83 HydrophobicContact CD2-CG 3.89Å; L30-F83 HydrophobicContact CG-CB 4.02Å; L30-F83 HydrophobicContact CG-CD1 4.32Å; L30-F83 HydrophobicContact CG-CG 4.42Å; T32-F83 HydrophobicContact CG2-CD1 3.97Å; T32-F83 HydrophobicContact CG2-CE1 4.11Å; S34-F83 WeakPolarHBondContact OG-CA 3.32Å; V35-F83 HydrophobicContact CG1-CD1 3.88Å; V35-F83 HydrophobicContact CG1-CE1 3.52Å; V35-F83 HydrophobicContact CG1-CZ 4.06Å; F83-L85 PolarHBondContact O-N 2.87Å; F83-L140 HydrophobicContact CE1-CD1 4.32Å; F83-L140 HydrophobicContact CE1-CD2 4.3Å; F83-L140 HydrophobicContact CZ-CD1 3.9Å; F83-L140 HydrophobicContact CZ-CD2 4.06Å; F83-L140 HydrophobicContact CZ-CG 4.39Å; F83-W178 VanDerWaalsContact O-CA 3.24Å; F83-W178 WeakPolarHBondContact O-CA 3.38Å; F83-K179 PolarHBondContact N-O 3.45Å; F83-K179 PolarHBondContact O-N 3.49Å; F83-K179 VanDerWaalsContact O-N 3.07Å; F83-C181 HydrophobicContact CE2-CB 3.96Å
84C91.5Very high91.2Very high6 Ų633.2 Ų33.24%0.04116%0.164CC..BIsolated β-bridgetrans-79.9118.1176.3-179.20000109.5D31 S34D31-C84 HydrophobicContact CB-CB 4.04Å; D31-C84 PolarHBondContact N-O 3.5Å; D31-C84 PolarHBondContact O-N 2.78Å; S34-C84 PolarHBondContact OG-N 2.84Å
85L91Very high91.3Very high7 Ų732 Ų324%0.03717%0.166CC..PPolyproline II helixtrans-87.6157.8-177.8-62.9-170.3000112.2L30 F83 Y112 K179 R501L30-L85 HydrophobicContact CD1-CD2 3.69Å; F83-L85 PolarHBondContact O-N 2.87Å; L85-Y112 HydrophobicContact CD1-CD1 4.44Å; L85-Y112 HydrophobicContact CD1-CG 4.36Å; L85-Y112 HydrophobicContact CD2-CD1 4.14Å; L85-Y112 HydrophobicContact CD2-CD2 3.37Å; L85-Y112 HydrophobicContact CD2-CE1 4.42Å; L85-Y112 HydrophobicContact CD2-CE2 3.7Å; L85-Y112 HydrophobicContact CD2-CG 3.61Å; L85-K179 HydrophobicContact CD1-CB 4.02Å; L85-K179 HydrophobicContact CD1-CG 3.43Å; L85-K179 VanDerWaalsContact CD1-CG 3.43Å; L85-K179 HydrophobicContact CG-CB 4.36Å; L85-K179 HydrophobicContact CG-CG 4.18Å; L85-R501 PolarHBondContact O-NH2 3.27Å
86P87.5Confident91.4Very high12 Ų1231.8 Ų31.88%0.07816%0.164CC..PPolyproline II helixtrans-58149.6167.3-20.933.3000111.5L6 C14 A109L6-P86 HydrophobicContact CB-CB 4.07Å; C14-P86 HydrophobicContact CB-CB 4.02Å; C14-P86 HydrophobicContact CB-CG 4.23Å; C14-P86 VanDerWaalsContact SG-CG 3.5Å; P86-A109 HydrophobicContact CG-CB 4.12Å
87E86.4Confident91.4Very high15 Ų1533.9 Ų33.97%0.0718%0.176CC..PPolyproline II helixtrans-59.4137.3179.7-171.353.9-108.300112.4L6 E89 L90 R501L6-E87 HydrophobicContact CB-CB 4.28Å; L6-E87 HydrophobicContact CD2-CB 4.45Å; L6-E87 WeakPolarHBondContact O-CB 3.49Å; L6-E87 PolarHBondContact O-N 2.84Å; E87-E89 PolarHBondContact OE1-N 2.66Å; E87-E89 VanDerWaalsContact OE1-N 3.08Å; E87-L90 HydrophobicContact CG-CB 4.33Å; E87-R501 IonicContact OE2-NE 3.02Å; E87-R501 IonicContact OE2-NH2 3.36Å
88K80.8Confident91.5Very high88 Ų8834 Ų3438%0.38318%0.176SC..SBendtrans-111.7-22.7-179.9-62.3-172.1179.7-170.70113.1L90 L93K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 3.3Å; K88-L93 HydrophobicContact CG-CD1 4.23Å
89E82.1Confident91.7Very high182 Ų18232.6 Ų32.685%0.8517%0.169SC*.SBendtrans-73.3-25.8-175.6-65.5-171.5172.800113E87E87-E89 PolarHBondContact OE1-N 2.66Å; E87-E89 VanDerWaalsContact OE1-N 3.08Å
90L85.9Confident91.9Very high52 Ų5232.5 Ų32.527%0.27217%0.169SC..SBendtrans-74.2-32.8-176.1-167.872000113.3Y4 L6 E87 K88 V504Y4-L90 HydrophobicContact CD1-CD2 4Å; Y4-L90 HydrophobicContact CD1-CG 4.1Å; L6-L90 HydrophobicContact CD2-CB 4.16Å; L6-L90 HydrophobicContact CD2-CD2 4.05Å; E87-L90 HydrophobicContact CG-CB 4.33Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 3.3Å; L90-V504 HydrophobicContact CD1-CG2 3.93Å; L90-V504 HydrophobicContact CD2-CG2 4.2Å; L90-V504 HydrophobicContact CG-CG2 4.33Å
91L89.2Confident92.2Very high16 Ų1631.1 Ų31.18%0.08416%0.162CC..SBendtrans-151.4130.6-174-176.778.9000109.8V16 T23 L93 I96V16-L91 HydrophobicContact CB-CD2 3.96Å; V16-L91 HydrophobicContact CG1-CD2 3.65Å; V16-L91 HydrophobicContact CG2-CD2 3.85Å; T23-L91 HydrophobicContact CG2-CD2 4.38Å; L91-L93 PolarHBondContact O-N 3.03Å; L91-I96 HydrophobicContact CD2-CD1 4.31Å; L91-I96 HydrophobicContact CD2-CG1 4.12Å
92D92.2Very high92.4Very high96 Ų9631.1 Ų31.151%0.51316%0.162SC..  trans-67.6114167.4-178.94.9000110.1S94 T95D92-S94 PolarHBondContact O-N 3.45Å; D92-S94 WeakPolarHBondContact OD1-CB 3.36Å; D92-S94 PolarHBondContact OD1-N 2.86Å; D92-S94 PolarHBondContact OD1-OG 2.8Å; D92-S94 PolarHBondContact OD2-OG 2.87Å; D92-T95 HydrophobicContact CB-CG2 4.12Å; D92-T95 WeakPolarHBondContact O-CB 3.46Å; D92-T95 PolarHBondContact O-N 2.75Å; D92-T95 PolarHBondContact O-OG1 2.89Å
93L93.1Very high92.5Very high7 Ų730.8 Ų30.84%0.03716%0.161CC..G310 helixtrans-68.4-16-176.7-57.8175.7000112.7L6 K88 L91 T95 I96 T117L6-L93 HydrophobicContact CD1-CD2 3.82Å; K88-L93 HydrophobicContact CG-CD1 4.23Å; L91-L93 PolarHBondContact O-N 3.03Å; L93-T95 PolarHBondContact O-N 2.9Å; L93-I96 HydrophobicContact CB-CD1 4.14Å; L93-I96 HydrophobicContact CD2-CD1 3.46Å; L93-I96 VanDerWaalsContact CD2-CD1 3.46Å; L93-I96 HydrophobicContact CG-CD1 4.41Å; L93-I96 WeakPolarHBondContact O-CB 3.41Å; L93-I96 PolarHBondContact O-N 3.36Å; L93-T117 HydrophobicContact CB-CG2 4.4Å; L93-T117 WeakPolarHBondContact CB-OG1 3.25Å; L93-T117 HydrophobicContact CD1-CG2 3.59Å
94S93.9Very high92.6Very high48 Ų4831 Ų3134%0.33616%0.162SC..G310 helixtrans-64.4-20.7170.679.70000112.8D92 I96D92-S94 PolarHBondContact O-N 3.45Å; D92-S94 WeakPolarHBondContact OD1-CB 3.36Å; D92-S94 PolarHBondContact OD1-N 2.86Å; D92-S94 PolarHBondContact OD1-OG 2.8Å; D92-S94 PolarHBondContact OD2-OG 2.87Å; S94-I96 VanDerWaalsContact C-N 3.32Å
95T94.3Very high92.8Very high58 Ų5831.6 Ų31.636%0.35616%0.163SC..G310 helixtrans-85.5-1.5179.4710000114T23 D92 L93T23-T95 VanDerWaalsContact CB-O 3.32Å; T23-T95 WeakPolarHBondContact CB-O 3.15Å; T23-T95 PolarHBondContact OG1-O 3.25Å; D92-T95 HydrophobicContact CB-CG2 4.12Å; D92-T95 WeakPolarHBondContact O-CB 3.46Å; D92-T95 PolarHBondContact O-N 2.75Å; D92-T95 PolarHBondContact O-OG1 2.89Å; L93-T95 PolarHBondContact O-N 2.9Å
96I96.4Very high93Very high2 Ų231.2 Ų31.21%0.0116%0.162CC..  trans-81.1122.2178.5-61.8171.8000108.8V16 T23 M25 L91 L93 S94 V98 I99 F119V16-I96 HydrophobicContact CG2-CD1 4.23Å; T23-I96 HydrophobicContact CG2-CG1 4.14Å; M25-I96 HydrophobicContact CB-CD1 4.21Å; M25-I96 HydrophobicContact CB-CG2 3.84Å; M25-I96 HydrophobicContact SD-CD1 3.79Å; L91-I96 HydrophobicContact CD2-CD1 4.31Å; L91-I96 HydrophobicContact CD2-CG1 4.12Å; L93-I96 HydrophobicContact CB-CD1 4.14Å; L93-I96 HydrophobicContact CD2-CD1 3.46Å; L93-I96 VanDerWaalsContact CD2-CD1 3.46Å; L93-I96 HydrophobicContact CG-CD1 4.41Å; L93-I96 WeakPolarHBondContact O-CB 3.41Å; L93-I96 PolarHBondContact O-N 3.36Å; S94-I96 VanDerWaalsContact C-N 3.32Å; I96-V98 WeakPolarHBondContact CG2-O 3.45Å; I96-I99 HydrophobicContact CG2-CG1 4.15Å; I96-F119 HydrophobicContact CB-CD2 4.09Å; I96-F119 HydrophobicContact CB-CE2 4.2Å; I96-F119 HydrophobicContact CG2-CD2 4.26Å; I96-F119 HydrophobicContact CG2-CE2 3.89Å; I96-F119 WeakPolarHBondContact O-CD2 3.44Å; I96-F119 WeakPolarHBondContact O-CE2 3.5Å
97D95.9Very high93.4Very high51 Ų5130.7 Ų30.727%0.27316%0.158SC..  trans-86.2-35.4-179-53.1-63.6000111.8T22 T23 G121 T122 F206T22-D97 WeakPolarHBondContact CA-OD2 3.45Å; T23-D97 PolarHBondContact N-OD2 3.2Å; T23-D97 PolarHBondContact O-N 2.91Å; D97-G121 CarbonylContact O-C 3.6Å; D97-G121 WeakPolarHBondContact O-CA 3.46Å; D97-T122 PolarHBondContact O-N 3.29Å; D97-F206 HydrophobicContact CB-CE2 3.55Å; D97-F206 HydrophobicContact CB-CZ 3.86Å
98V97.6Very high93.9Very high1 Ų130.8 Ų30.81%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-142.9140.7-173.4176.60000111.4T23 I24 M25 I96 L100 T122 Y124 L205 F206T23-V98 PolarHBondContact O-N 2.87Å; I24-V98 CarbonylContact C-O 3.57Å; I24-V98 WeakPolarHBondContact CA-O 3.4Å; M25-V98 PolarHBondContact N-O 3.1Å; I96-V98 WeakPolarHBondContact CG2-O 3.45Å; V98-L100 HydrophobicContact CG1-CD2 3.75Å; V98-L100 HydrophobicContact CG1-CG 4.34Å; V98-T122 CarbonylContact C-O 3.6Å; V98-T122 VanDerWaalsContact CA-O 3.23Å; V98-T122 WeakPolarHBondContact CA-O 3.45Å; V98-Y124 HydrophobicContact CG1-CD2 3.56Å; V98-Y124 HydrophobicContact CG1-CE2 3.78Å; V98-Y124 HydrophobicContact CG2-CE2 4.36Å; V98-L205 HydrophobicContact CB-CD1 4.32Å; V98-L205 HydrophobicContact CG1-CD1 4.04Å; V98-L205 HydrophobicContact CG1-CD2 4.47Å; V98-L205 HydrophobicContact CG2-CD1 4.16Å; V98-L205 HydrophobicContact CG2-CD2 4.11Å; V98-F206 HydrophobicContact CG2-CE2 3.72Å; V98-F206 HydrophobicContact CG2-CZ 4.08Å
99I98.4Very high94.7Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-114.9127.3168.2-51.5-178.2000108.7M25 I96 I101 L110 I113 F119 T122 V123 Y124M25-I99 HydrophobicContact CB-CB 4.43Å; M25-I99 HydrophobicContact CB-CG1 4.08Å; M25-I99 HydrophobicContact CB-CG2 4.32Å; M25-I99 HydrophobicContact CG-CG2 4.44Å; M25-I99 CarbonylContact O-C 3.41Å; M25-I99 WeakPolarHBondContact O-CA 3.4Å; M25-I99 HydrophobicContact SD-CD1 4.41Å; I96-I99 HydrophobicContact CG2-CG1 4.15Å; I99-I101 HydrophobicContact CG2-CD1 3.63Å; I99-I101 HydrophobicContact CG2-CG1 4.41Å; I99-L110 HydrophobicContact CD1-CD1 3.9Å; I99-I113 HydrophobicContact CD1-CG2 4.13Å; I99-F119 HydrophobicContact CD1-CD2 4.29Å; I99-F119 HydrophobicContact CD1-CE1 4.2Å; I99-F119 HydrophobicContact CD1-CE2 3.83Å; I99-F119 HydrophobicContact CD1-CZ 3.76Å; I99-F119 HydrophobicContact CG1-CE2 3.72Å; I99-F119 HydrophobicContact CG1-CZ 3.73Å; I99-T122 PolarHBondContact N-O 3.3Å; I99-V123 HydrophobicContact CB-CB 4.48Å; I99-V123 HydrophobicContact CB-CG1 4.18Å; I99-V123 HydrophobicContact CB-CG2 4.2Å; I99-V123 HydrophobicContact CD1-CG2 4.25Å; I99-V123 HydrophobicContact CG1-CG2 4.43Å; I99-V123 HydrophobicContact CG2-CG1 4.44Å; I99-V123 CarbonylContact O-C 3.6Å; I99-V123 WeakPolarHBondContact O-CA 3.39Å; I99-Y124 PolarHBondContact O-N 3.48Å
100L98.6Very high95.4Very high0 Ų018 Ų180%010%0.1CC..EExtended strand (participates in β ladder)trans-104.5123.1172.5-55.3-177.5000109.1I24 M25 L26 D27 V98 Y124 V211 W225 I227I24-L100 HydrophobicContact CG2-CD1 3.84Å; I24-L100 HydrophobicContact CG2-CG 3.83Å; M25-L100 PolarHBondContact O-N 3.13Å; L26-L100 HydrophobicContact CD2-CB 4.37Å; L26-L100 HydrophobicContact CD2-CD1 3.91Å; L26-L100 HydrophobicContact CD2-CG 4.44Å; D27-L100 PolarHBondContact N-O 3.23Å; V98-L100 HydrophobicContact CG1-CD2 3.75Å; V98-L100 HydrophobicContact CG1-CG 4.34Å; L100-Y124 HydrophobicContact CD2-CD2 3.93Å; L100-Y124 HydrophobicContact CD2-CG 4.36Å; L100-V211 HydrophobicContact CD1-CB 4.33Å; L100-V211 HydrophobicContact CD1-CG1 4.03Å; L100-V211 HydrophobicContact CD2-CG2 4.23Å; L100-W225 HydrophobicContact CB-CD2 3.99Å; L100-W225 HydrophobicContact CB-CE3 4.48Å; L100-W225 HydrophobicContact CB-CG 4.25Å; L100-W225 HydrophobicContact CB-CZ2 4.17Å; L100-W225 HydrophobicContact CD1-CB 4.29Å; L100-W225 HydrophobicContact CD1-CD2 4.04Å; L100-W225 HydrophobicContact CD1-CE3 4.02Å; L100-W225 HydrophobicContact CD1-CG 4.18Å; L100-W225 HydrophobicContact CD2-CE3 4.18Å; L100-W225 HydrophobicContact CD2-CH2 4.11Å; L100-W225 HydrophobicContact CD2-CZ3 3.96Å; L100-W225 HydrophobicContact CG-CD2 4.41Å; L100-W225 HydrophobicContact CG-CE3 4.46Å; L100-I227 HydrophobicContact CD1-CD1 4.22Å; L100-I227 HydrophobicContact CD1-CG1 4.2Å
101I98.6Very high95.9Very high1 Ų115.5 Ų15.51%0.0059%0.087CC..  trans-103.8121.8179.8-55.5-58.6000109.8C28 I99 N103 M107 V123 Y124 A125 T129 W225C28-I101 WeakPolarHBondContact SG-CD1 3.45Å; I99-I101 HydrophobicContact CG2-CD1 3.63Å; I99-I101 HydrophobicContact CG2-CG1 4.41Å; I101-N103 WeakPolarHBondContact CG2-O 3.34Å; I101-M107 HydrophobicContact CD1-CB 4.13Å; I101-M107 HydrophobicContact CG1-CB 4.36Å; I101-M107 HydrophobicContact CG2-CB 3.86Å; I101-M107 HydrophobicContact CG2-CG 4.37Å; I101-M107 HydrophobicContact CG2-SD 4.36Å; I101-V123 HydrophobicContact CD1-CG1 4.45Å; I101-V123 HydrophobicContact CG1-CG1 3.84Å; I101-Y124 PolarHBondContact N-O 3.38Å; I101-A125 HydrophobicContact CB-CB 3.95Å; I101-A125 HydrophobicContact CG1-CB 4.42Å; I101-A125 HydrophobicContact CG2-CB 4.46Å; I101-T129 HydrophobicContact CG2-CG2 3.69Å; I101-W225 WeakPolarHBondContact O-CZ2 3.2Å; I101-W225 PolarHBondContact O-NE1 2.97Å; I101-W225 VanDerWaalsContact O-NE1 3.14Å
102S98.1Very high96.3Very high0 Ų015.3 Ų15.30%09%0.085CC..  trans-83-38.1178.5-86.10000113.6D27 S222 S223 W225 Y236 S238D27-S102 VanDerWaalsContact OD1-CB 3.26Å; D27-S102 WeakPolarHBondContact OD1-CB 3.4Å; D27-S102 PolarHBondContact OD1-N 3.39Å; S102-S222 CarbonylContact O-C 3.51Å; S102-S222 VanDerWaalsContact O-CA 3.23Å; S102-S222 WeakPolarHBondContact O-CA 3.44Å; S102-S223 WeakPolarHBondContact CB-O 3.4Å; S102-S223 PolarHBondContact O-N 2.95Å; S102-S223 PolarHBondContact O-OG 3.33Å; S102-S223 PolarHBondContact OG-O 2.63Å; S102-W225 VanDerWaalsContact OG-CD1 3.25Å; S102-Y236 WeakPolarHBondContact OG-CE1 3.32Å; S102-S238 WeakPolarHBondContact CB-OG 3.11Å; S102-S238 VanDerWaalsContact OG-CB 3.27Å; S102-S238 WeakPolarHBondContact OG-CB 3.5Å
103N96.6Very high96.4Very high4 Ų410.9 Ų10.92%0.0216%0.062CC..SBendtrans-155.8169-179.163.969.3000111.3I101 H105 C106 T129I101-N103 WeakPolarHBondContact CG2-O 3.34Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.43Å; N103-H105 WeakPolarHBondContact OD1-CB 3.28Å; N103-H105 PolarHBondContact OD1-N 3.35Å; N103-H105 VanDerWaalsContact OD1-N 3.08Å; N103-C106 PolarHBondContact ND2-SG 3.48Å; N103-C106 WeakPolarHBondContact O-CB 3.31Å; N103-C106 PolarHBondContact O-N 2.98Å; N103-C106 PolarHBondContact OD1-N 3.46Å; N103-C106 VanDerWaalsContact OD1-N 3.09Å; N103-C106 PolarHBondContact OD1-SG 3.07Å; N103-C106 VanDerWaalsContact OD1-SG 3.34Å; N103-T129 VanDerWaalsContact C-CG2 3.44Å
104Y96.6Very high96.6Very high6 Ų610.9 Ų10.92%0.0246%0.062CC..G310 helixtrans-67.9-21.7-172.152.4-108000114.5M107 I132 L136 G303Y104-M107 VanDerWaalsContact O-CG 3.25Å; Y104-M107 WeakPolarHBondContact O-CG 3.4Å; Y104-I132 HydrophobicContact CD1-CB 3.88Å; Y104-I132 HydrophobicContact CD1-CD1 4.11Å; Y104-I132 HydrophobicContact CD1-CG2 3.56Å; Y104-I132 HydrophobicContact CD2-CG2 3.87Å; Y104-I132 HydrophobicContact CE1-CD1 4.16Å; Y104-I132 HydrophobicContact CE1-CG2 3.91Å; Y104-I132 HydrophobicContact CE2-CG2 4.17Å; Y104-I132 HydrophobicContact CG-CB 4.05Å; Y104-I132 HydrophobicContact CG-CG2 3.55Å; Y104-L136 HydrophobicContact CD2-CD1 3.46Å; Y104-L136 VanDerWaalsContact CD2-CD1 3.46Å; Y104-L136 HydrophobicContact CE2-CD1 4.04Å; Y104-L136 HydrophobicContact CG-CD1 4.39Å; Y104-G303 WeakPolarHBondContact OH-CA 3.38Å
105H95.3Very high96.6Very high17 Ų1711.5 Ų11.58%0.0796%0.06CC..G310 helixtrans-76.6-30171.5-69.1-74.1000111.9L12 N103 M107 M108 Y300L12-H105 HydrophobicContact CD2-CB 4.2Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.43Å; N103-H105 WeakPolarHBondContact OD1-CB 3.28Å; N103-H105 PolarHBondContact OD1-N 3.35Å; N103-H105 VanDerWaalsContact OD1-N 3.08Å; H105-M107 PolarHBondContact O-N 3.48Å; H105-M108 WeakPolarHBondContact O-CG 3.26Å; H105-M108 PolarHBondContact O-N 3.45Å; H105-Y300 AromaticContact CE1-CD2 3.96Å; H105-Y300 AromaticContact CE1-CE2 3.91Å
106C96.2Very high96.5Very high0 Ų013.7 Ų13.70%07%0.066CC..G310 helixtrans-81.410-178-68.70000114D27 C28 G29 N103D27-C106 HydrophobicContact CB-CB 3.79Å; D27-C106 WeakPolarHBondContact OD1-CB 3.43Å; C28-C106 CarbonylContact C-O 3.35Å; C28-C106 WeakPolarHBondContact CA-O 3.5Å; C28-C106 PolarHBondContact N-O 3.31Å; C28-C106 CarbonylContact O-C 3.37Å; G29-C106 PolarHBondContact N-O 3.47Å; N103-C106 PolarHBondContact ND2-SG 3.48Å; N103-C106 WeakPolarHBondContact O-CB 3.31Å; N103-C106 PolarHBondContact O-N 2.98Å; N103-C106 PolarHBondContact OD1-N 3.46Å; N103-C106 VanDerWaalsContact OD1-N 3.09Å; N103-C106 PolarHBondContact OD1-SG 3.07Å; N103-C106 VanDerWaalsContact OD1-SG 3.34Å
107M95.9Very high96.2Very high1 Ų114.7 Ų14.71%0.0057%0.072CC..G310 helixtrans-113.22.3171.358.5-172.8-70.700113.8I101 Y104 H105 A109 L110 T129 L130 M137 L191I101-M107 HydrophobicContact CD1-CB 4.13Å; I101-M107 HydrophobicContact CG1-CB 4.36Å; I101-M107 HydrophobicContact CG2-CB 3.86Å; I101-M107 HydrophobicContact CG2-CG 4.37Å; I101-M107 HydrophobicContact CG2-SD 4.36Å; Y104-M107 VanDerWaalsContact O-CG 3.25Å; Y104-M107 WeakPolarHBondContact O-CG 3.4Å; H105-M107 PolarHBondContact O-N 3.48Å; M107-A109 PolarHBondContact O-N 3.01Å; M107-A109 VanDerWaalsContact O-N 3.14Å; M107-L110 HydrophobicContact CB-CB 4.44Å; M107-L110 HydrophobicContact CE-CD2 4.49Å; M107-L110 WeakPolarHBondContact O-CB 3.21Å; M107-L110 PolarHBondContact O-N 3.03Å; M107-T129 HydrophobicContact SD-CG2 4.1Å; M107-T129 VanDerWaalsContact SD-O 3.4Å; M107-L130 HydrophobicContact CE-CD1 4.08Å; M107-M137 HydrophobicContact CB-CE 4.04Å; M107-M137 HydrophobicContact CE-CE 3.53Å; M107-M137 HydrophobicContact CG-CE 3.67Å; M107-M137 WeakPolarHBondContact O-CE 3.35Å; M107-M137 HydrophobicContact SD-CE 4.35Å; M107-L191 HydrophobicContact CE-CD2 3.27Å
108M96.8Very high96.1Very high17 Ų1714.7 Ų14.78%0.0848%0.084CC..THydrogen-bonded Turntrans-63.5-22-174.8-69.1-56.1-53.500113.9L30 H105 L136 M137 L140 Y182L30-M108 HydrophobicContact CB-CB 3.51Å; L30-M108 HydrophobicContact CD2-CB 4.29Å; H105-M108 WeakPolarHBondContact O-CG 3.26Å; H105-M108 PolarHBondContact O-N 3.45Å; M108-L136 HydrophobicContact SD-CB 3.98Å; M108-M137 HydrophobicContact CE-CG 4.01Å; M108-M137 HydrophobicContact SD-CG 3.93Å; M108-L140 HydrophobicContact CE-CD2 3.84Å; M108-Y182 WeakPolarHBondContact CE-OH 3.32Å; M108-Y182 WeakPolarHBondContact O-CE1 3.15Å
109A96.6Very high96Very high0 Ų015 Ų150%09%0.085CC..THydrogen-bonded Turntrans-91.6-0.7173.500000113.4C28 L30 P86 M107 Y112 I113C28-A109 HydrophobicContact CB-CB 4.34Å; C28-A109 VanDerWaalsContact O-CB 3.23Å; C28-A109 WeakPolarHBondContact O-CB 3.41Å; C28-A109 PolarHBondContact O-N 3.08Å; L30-A109 HydrophobicContact CB-CB 4.09Å; L30-A109 HydrophobicContact CD1-CB 4.19Å; P86-A109 HydrophobicContact CG-CB 4.12Å; M107-A109 PolarHBondContact O-N 3.01Å; M107-A109 VanDerWaalsContact O-N 3.14Å; A109-Y112 WeakPolarHBondContact O-CB 3.46Å; A109-Y112 PolarHBondContact O-N 2.65Å; A109-Y112 VanDerWaalsContact O-N 3.13Å; A109-I113 HydrophobicContact CB-CD1 4.43Å; A109-I113 WeakPolarHBondContact O-CG1 3.42Å; A109-I113 PolarHBondContact O-N 3.06Å
110L97.3Very high95.8Very high0 Ų021.1 Ų21.10%012%0.123CC..Hα-helixtrans-56.3-48.1-174.5-171.867.6000112.7I99 M107 Y112 I113 T114 V123 A190 V194I99-L110 HydrophobicContact CD1-CD1 3.9Å; M107-L110 HydrophobicContact CB-CB 4.44Å; M107-L110 HydrophobicContact CE-CD2 4.49Å; M107-L110 WeakPolarHBondContact O-CB 3.21Å; M107-L110 PolarHBondContact O-N 3.03Å; L110-Y112 VanDerWaalsContact C-N 3.28Å; L110-Y112 PolarHBondContact O-N 3.2Å; L110-I113 PolarHBondContact O-N 3.24Å; L110-T114 HydrophobicContact CD1-CG2 3.69Å; L110-T114 HydrophobicContact CG-CG2 3.95Å; L110-T114 PolarHBondContact O-N 2.99Å; L110-T114 PolarHBondContact O-OG1 3.44Å; L110-T114 VanDerWaalsContact O-OG1 3.11Å; L110-V123 HydrophobicContact CD1-CG1 4.2Å; L110-V123 HydrophobicContact CD1-CG2 3.99Å; L110-V123 HydrophobicContact CD2-CG1 4.26Å; L110-A190 HydrophobicContact CG-CB 4.43Å; L110-V194 HydrophobicContact CD2-CG2 4.07Å
111P97.6Very high95.7Very high0 Ų022 Ų220%013%0.131CC..Hα-helixtrans-60.5-36.1178.7-22.935000113.2I113 E115 M137 Y182 D186 V187 A190P111-I113 VanDerWaalsContact C-N 3.26Å; P111-I113 PolarHBondContact O-N 2.64Å; P111-E115 WeakPolarHBondContact O-CB 3.48Å; P111-E115 PolarHBondContact O-N 3.34Å; P111-E115 VanDerWaalsContact O-N 3.12Å; P111-M137 HydrophobicContact CG-SD 3.81Å; P111-Y182 HydrophobicContact CB-CD1 3.84Å; P111-Y182 HydrophobicContact CB-CD2 4.4Å; P111-Y182 HydrophobicContact CB-CE1 4.4Å; P111-Y182 HydrophobicContact CB-CG 3.86Å; P111-Y182 HydrophobicContact CG-CD1 3.92Å; P111-Y182 HydrophobicContact CG-CD2 4.31Å; P111-Y182 HydrophobicContact CG-CE1 3.98Å; P111-Y182 HydrophobicContact CG-CE2 4.35Å; P111-Y182 HydrophobicContact CG-CG 4.12Å; P111-D186 HydrophobicContact CB-CB 4.1Å; P111-V187 HydrophobicContact CG-CG2 4.46Å; P111-A190 HydrophobicContact CB-CB 4.17Å; P111-A190 HydrophobicContact CG-CB 4.1Å
112Y95.9Very high95.6Very high12 Ų1223.8 Ų23.85%0.04714%0.142CC..Hα-helixtrans-64.8-31.9176.3-64-63000112.9L30 L85 A109 L110 H116 T117 K179 R180 C181 Y182L30-Y112 HydrophobicContact CD1-CD2 4.04Å; L30-Y112 HydrophobicContact CD1-CE2 3.78Å; L30-Y112 HydrophobicContact CD2-CE2 4Å; L85-Y112 HydrophobicContact CD1-CD1 4.44Å; L85-Y112 HydrophobicContact CD1-CG 4.36Å; L85-Y112 HydrophobicContact CD2-CD1 4.14Å; L85-Y112 HydrophobicContact CD2-CD2 3.37Å; L85-Y112 HydrophobicContact CD2-CE1 4.42Å; L85-Y112 HydrophobicContact CD2-CE2 3.7Å; L85-Y112 HydrophobicContact CD2-CG 3.61Å; A109-Y112 WeakPolarHBondContact O-CB 3.46Å; A109-Y112 PolarHBondContact O-N 2.65Å; A109-Y112 VanDerWaalsContact O-N 3.13Å; L110-Y112 VanDerWaalsContact C-N 3.28Å; L110-Y112 PolarHBondContact O-N 3.2Å; Y112-H116 WeakPolarHBondContact O-CB 3.42Å; Y112-T117 WeakPolarHBondContact O-CG2 3.4Å; Y112-K179 HydrophobicContact CE1-CB 4.07Å; Y112-R180 WeakPolarHBondContact CE1-O 3.42Å; Y112-R180 PolarHBondContact OH-O 2.82Å; Y112-C181 VanDerWaalsContact OH-CA 3.29Å; Y112-C181 WeakPolarHBondContact OH-CA 3.36Å; Y112-Y182 HydrophobicContact CD2-CD1 4.03Å; Y112-Y182 HydrophobicContact CD2-CE1 4.46Å; Y112-Y182 HydrophobicContact CE1-CD1 4.06Å; Y112-Y182 AromaticContact CE2-CD1 3.52Å; Y112-Y182 HydrophobicContact CE2-CD1 3.52Å; Y112-Y182 AromaticContact CE2-CE1 3.88Å; Y112-Y182 HydrophobicContact CE2-CE1 3.88Å; Y112-Y182 AromaticContact CZ-CD1 3.53Å; Y112-Y182 PolarHBondContact OH-N 2.77Å
113I95.3Very high95.6Very high4 Ų423.8 Ų23.82%0.02114%0.142CC..Hα-helixtrans-82-53.3-179.4-63.4166.2000109.4M25 C28 I99 A109 L110 P111 E115 T117 F119M25-I113 HydrophobicContact CE-CD1 3.62Å; M25-I113 HydrophobicContact SD-CD1 4.04Å; C28-I113 HydrophobicContact CB-CD1 3.36Å; I99-I113 HydrophobicContact CD1-CG2 4.13Å; A109-I113 HydrophobicContact CB-CD1 4.43Å; A109-I113 WeakPolarHBondContact O-CG1 3.42Å; A109-I113 PolarHBondContact O-N 3.06Å; L110-I113 PolarHBondContact O-N 3.24Å; P111-I113 VanDerWaalsContact C-N 3.26Å; P111-I113 PolarHBondContact O-N 2.64Å; I113-E115 PolarHBondContact O-N 3.37Å; I113-T117 WeakPolarHBondContact O-CB 3.33Å; I113-T117 PolarHBondContact O-N 2.77Å; I113-T117 PolarHBondContact O-OG1 2.88Å; I113-F119 HydrophobicContact CG2-CB 4.44Å
114T96Very high95.7Very high7 Ų724.8 Ų24.84%0.04315%0.146CC..Hα-helixtrans-68.7-37.1-171.757.20000113L110 F119 A190 K193L110-T114 HydrophobicContact CD1-CG2 3.69Å; L110-T114 HydrophobicContact CG-CG2 3.95Å; L110-T114 PolarHBondContact O-N 2.99Å; L110-T114 PolarHBondContact O-OG1 3.44Å; L110-T114 VanDerWaalsContact O-OG1 3.11Å; T114-F119 HydrophobicContact CG2-CD1 3.78Å; T114-F119 HydrophobicContact CG2-CE1 4.06Å; T114-A190 WeakPolarHBondContact OG1-CB 3.4Å; T114-K193 HydrophobicContact CG2-CD 4.28Å
115E95.3Very high95.8Very high60 Ų6024.5 Ų24.528%0.2815%0.145SC..THydrogen-bonded Turntrans-96-19.9-174.1-49.8-39.2122.100113.8P111 I113 D186 A190 K193P111-E115 WeakPolarHBondContact O-CB 3.48Å; P111-E115 PolarHBondContact O-N 3.34Å; P111-E115 VanDerWaalsContact O-N 3.12Å; I113-E115 PolarHBondContact O-N 3.37Å; E115-D186 HydrophobicContact CG-CB 4.1Å; E115-A190 WeakPolarHBondContact OE1-CA 3.07Å; E115-A190 PolarHBondContact OE1-N 3.25Å; E115-K193 IonicContact OE1-NZ 2.7Å; E115-K193 PolarHBondContact OE1-NZ 3.27Å; E115-K193 IonicContact OE2-NZ 3.75Å; E115-K193 PolarHBondContact OE2-NZ 3.41Å
116H92.6Very high95.9Very high104 Ų10423.7 Ų23.748%0.48114%0.141SC..THydrogen-bonded Turntrans-122.710.4-171.2-52.5-83.1000115.4Y112Y112-H116 WeakPolarHBondContact O-CB 3.42Å
117T90.3Very high96Very high24 Ų2426.2 Ų26.215%0.14715%0.153CC..SBendtrans-131.22-176.877.20000114.9L93 Y112 I113 F119L93-T117 HydrophobicContact CB-CG2 4.4Å; L93-T117 WeakPolarHBondContact CB-OG1 3.25Å; L93-T117 HydrophobicContact CD1-CG2 3.59Å; Y112-T117 WeakPolarHBondContact O-CG2 3.4Å; I113-T117 WeakPolarHBondContact O-CB 3.33Å; I113-T117 PolarHBondContact O-N 2.77Å; I113-T117 PolarHBondContact O-OG1 2.88Å; T117-F119 VanDerWaalsContact C-N 3.3Å
118G92.3Very high96.1Very high50 Ų5026.1 Ų26.152%0.51515%0.153SC..  trans77.414-179.600000114.2T120G118-T120 PolarHBondContact O-N 3.09Å
119F95.9Very high96.2Very high7 Ų725.3 Ų25.33%0.03115%0.149CC..  trans-60.6125.8175.1171.8-96.2000111.5I96 I99 I113 T114 T117 G121 V123I96-F119 HydrophobicContact CB-CD2 4.09Å; I96-F119 HydrophobicContact CB-CE2 4.2Å; I96-F119 HydrophobicContact CG2-CD2 4.26Å; I96-F119 HydrophobicContact CG2-CE2 3.89Å; I96-F119 WeakPolarHBondContact O-CD2 3.44Å; I96-F119 WeakPolarHBondContact O-CE2 3.5Å; I99-F119 HydrophobicContact CD1-CD2 4.29Å; I99-F119 HydrophobicContact CD1-CE1 4.2Å; I99-F119 HydrophobicContact CD1-CE2 3.83Å; I99-F119 HydrophobicContact CD1-CZ 3.76Å; I99-F119 HydrophobicContact CG1-CE2 3.72Å; I99-F119 HydrophobicContact CG1-CZ 3.73Å; I113-F119 HydrophobicContact CG2-CB 4.44Å; T114-F119 HydrophobicContact CG2-CD1 3.78Å; T114-F119 HydrophobicContact CG2-CE1 4.06Å; T117-F119 VanDerWaalsContact C-N 3.3Å; F119-G121 VanDerWaalsContact CE1-O 3.25Å; F119-G121 WeakPolarHBondContact CE1-O 3.23Å; F119-G121 WeakPolarHBondContact CZ-O 3.5Å; F119-V123 HydrophobicContact CE1-CG2 3.93Å; F119-V123 HydrophobicContact CZ-CG2 4.09Å
120T95.1Very high96.3Very high130 Ų13025.9 Ų25.980%0.79815%0.151SC*.  trans-121.78.7177.259.60000113G118G118-T120 PolarHBondContact O-N 3.09Å
121G95.3Very high96.3Very high17 Ų1727.5 Ų27.518%0.17516%0.159CC..SBendtrans-76.7-170.6-178.600000113.7D97 F119D97-G121 CarbonylContact O-C 3.6Å; D97-G121 WeakPolarHBondContact O-CA 3.46Å; F119-G121 VanDerWaalsContact CE1-O 3.25Å; F119-G121 WeakPolarHBondContact CE1-O 3.23Å; F119-G121 WeakPolarHBondContact CZ-O 3.5Å
122T96Very high96.3Very high39 Ų3927.5 Ų27.524%0.23916%0.159CC..EExtended strand (participates in β ladder)trans-106.8142.8179-54.70000111D97 V98 I99 Y124 Q195D97-T122 PolarHBondContact O-N 3.29Å; V98-T122 CarbonylContact C-O 3.6Å; V98-T122 VanDerWaalsContact CA-O 3.23Å; V98-T122 WeakPolarHBondContact CA-O 3.45Å; I99-T122 PolarHBondContact N-O 3.3Å; T122-Y124 HydrophobicContact CG2-CD2 4.45Å; T122-Y124 HydrophobicContact CG2-CE1 4.16Å; T122-Y124 HydrophobicContact CG2-CE2 3.85Å; T122-Q195 HydrophobicContact CG2-CB 4.19Å; T122-Q195 HydrophobicContact CG2-CG 3.67Å
123V98.5Very high96.4Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-107.7135175.3-174.30000108.9I99 I101 L110 F119 K193 V194 Q195I99-V123 HydrophobicContact CB-CB 4.48Å; I99-V123 HydrophobicContact CB-CG1 4.18Å; I99-V123 HydrophobicContact CB-CG2 4.2Å; I99-V123 HydrophobicContact CD1-CG2 4.25Å; I99-V123 HydrophobicContact CG1-CG2 4.43Å; I99-V123 HydrophobicContact CG2-CG1 4.44Å; I99-V123 CarbonylContact O-C 3.6Å; I99-V123 WeakPolarHBondContact O-CA 3.39Å; I101-V123 HydrophobicContact CD1-CG1 4.45Å; I101-V123 HydrophobicContact CG1-CG1 3.84Å; L110-V123 HydrophobicContact CD1-CG1 4.2Å; L110-V123 HydrophobicContact CD1-CG2 3.99Å; L110-V123 HydrophobicContact CD2-CG1 4.26Å; F119-V123 HydrophobicContact CE1-CG2 3.93Å; F119-V123 HydrophobicContact CZ-CG2 4.09Å; V123-K193 PolarHBondContact N-O 2.69Å; V123-V194 HydrophobicContact CB-CG2 4.05Å; V123-V194 HydrophobicContact CG1-CG1 4.43Å; V123-V194 HydrophobicContact CG1-CG2 3.93Å; V123-V194 CarbonylContact O-C 3.43Å; V123-V194 WeakPolarHBondContact O-CA 3.34Å; V123-Q195 PolarHBondContact O-N 2.93Å
124Y98.7Very high96.6Very high26 Ų2629.4 Ų29.410%0.10217%0.166CC..EExtended strand (participates in β ladder)trans-116.9131.8174.9-65.8-76.9000111.3V98 I99 L100 I101 T122 Q195 V197 V203 L205V98-Y124 HydrophobicContact CG1-CD2 3.56Å; V98-Y124 HydrophobicContact CG1-CE2 3.78Å; V98-Y124 HydrophobicContact CG2-CE2 4.36Å; I99-Y124 PolarHBondContact O-N 3.48Å; L100-Y124 HydrophobicContact CD2-CD2 3.93Å; L100-Y124 HydrophobicContact CD2-CG 4.36Å; I101-Y124 PolarHBondContact N-O 3.38Å; T122-Y124 HydrophobicContact CG2-CD2 4.45Å; T122-Y124 HydrophobicContact CG2-CE1 4.16Å; T122-Y124 HydrophobicContact CG2-CE2 3.85Å; Y124-Q195 WeakPolarHBondContact CA-O 3.49Å; Y124-Q195 HydrophobicContact CD1-CB 3.71Å; Y124-Q195 HydrophobicContact CE1-CB 3.63Å; Y124-Q195 HydrophobicContact CE1-CG 4.37Å; Y124-Q195 PolarHBondContact OH-OE1 2.82Å; Y124-V197 HydrophobicContact CD1-CG1 3.71Å; Y124-V197 HydrophobicContact CE1-CG1 4.4Å; Y124-V203 HydrophobicContact CE1-CG1 3.96Å; Y124-V203 HydrophobicContact CE2-CG1 4.41Å; Y124-L205 HydrophobicContact CD2-CD2 4.44Å; Y124-L205 HydrophobicContact CE2-CD2 3.65Å
125A98.6Very high96.7Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-150.5162.2175.700000110.5I101 T129 V194 Q195 L196 V197I101-A125 HydrophobicContact CB-CB 3.95Å; I101-A125 HydrophobicContact CG1-CB 4.42Å; I101-A125 HydrophobicContact CG2-CB 4.46Å; A125-T129 HydrophobicContact CB-CG2 4.29Å; A125-V194 HydrophobicContact CB-CG1 3.81Å; A125-Q195 PolarHBondContact N-O 3.02Å; A125-L196 WeakPolarHBondContact O-CA 3.36Å; A125-V197 WeakPolarHBondContact O-CG2 3.47Å; A125-V197 PolarHBondContact O-N 2.79Å
126T98.5Very high96.8Very high0 Ų027 Ų270%016%0.155CC..  trans-77.5156.316961.40000110.8T129 L130 V197 Y199 G221 W346T126-T129 WeakPolarHBondContact O-CB 3.49Å; T126-T129 PolarHBondContact O-N 2.96Å; T126-T129 VanDerWaalsContact OG1-CB 3.23Å; T126-T129 WeakPolarHBondContact OG1-CB 3.2Å; T126-T129 PolarHBondContact OG1-OG1 2.88Å; T126-L130 PolarHBondContact O-N 3.33Å; T126-V197 WeakPolarHBondContact CA-O 3.25Å; T126-Y199 HydrophobicContact CG2-CD1 4.41Å; T126-Y199 HydrophobicContact CG2-CE1 4.12Å; T126-G221 WeakPolarHBondContact CB-O 3.26Å; T126-G221 WeakPolarHBondContact CG2-O 3.42Å; T126-G221 PolarHBondContact OG1-O 2.87Å; T126-W346 HydrophobicContact CG2-CH2 3.87Å; T126-W346 HydrophobicContact CG2-CZ3 3.69Å
127E98.1Very high97.1Very high52 Ų5222.1 Ų22.124%0.24313%0.132CC..Hα-helixtrans-57.7-49.9-178.4178.663.9-160.400113.2T129 L130 Q131 L196 F343E127-T129 VanDerWaalsContact C-N 3.27Å; E127-T129 PolarHBondContact O-N 3.49Å; E127-L130 PolarHBondContact O-N 2.85Å; E127-L130 VanDerWaalsContact O-N 3.14Å; E127-Q131 PolarHBondContact O-N 3.15Å; E127-Q131 WeakPolarHBondContact OE1-CG 3.35Å; E127-Q131 PolarHBondContact OE1-NE2 3.04Å; E127-L196 HydrophobicContact CB-CD2 4.29Å; E127-L196 WeakPolarHBondContact OE2-CD1 3.45Å; E127-L196 WeakPolarHBondContact OE2-CD2 3.2Å; E127-L196 WeakPolarHBondContact OE2-CG 3.11Å; E127-F343 HydrophobicContact CG-CE1 3.66Å; E127-F343 HydrophobicContact CG-CZ 3.93Å
128P98.1Very high97.4Very high0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-66.4-33.1-179.4-16.829.9000112.3L130 Q131 I132 L220 F343 W346P128-L130 VanDerWaalsContact C-N 3.35Å; P128-Q131 PolarHBondContact O-N 3.14Å; P128-I132 WeakPolarHBondContact O-CB 3.41Å; P128-I132 VanDerWaalsContact O-CG1 3.27Å; P128-I132 WeakPolarHBondContact O-CG1 3.42Å; P128-I132 PolarHBondContact O-N 3.28Å; P128-L220 HydrophobicContact CB-CG 3.96Å; P128-F343 HydrophobicContact CB-CB 4.49Å; P128-F343 HydrophobicContact CB-CD2 3.79Å; P128-F343 HydrophobicContact CB-CE2 4.16Å; P128-F343 HydrophobicContact CB-CG 4.1Å; P128-F343 HydrophobicContact CG-CB 4.16Å; P128-F343 HydrophobicContact CG-CD1 4.17Å; P128-F343 HydrophobicContact CG-CD2 4.1Å; P128-F343 HydrophobicContact CG-CG 3.89Å; P128-W346 HydrophobicContact CG-CB 4.22Å; P128-W346 HydrophobicContact CG-CD2 3.55Å; P128-W346 HydrophobicContact CG-CE3 4.13Å; P128-W346 HydrophobicContact CG-CG 3.54Å; P128-W346 HydrophobicContact CG-CZ2 4.41Å
129T98.1Very high97.7Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-61.2-45174.1-68.10000110.9I101 N103 M107 A125 T126 E127 G133 G221I101-T129 HydrophobicContact CG2-CG2 3.69Å; N103-T129 VanDerWaalsContact C-CG2 3.44Å; M107-T129 HydrophobicContact SD-CG2 4.1Å; M107-T129 VanDerWaalsContact SD-O 3.4Å; A125-T129 HydrophobicContact CB-CG2 4.29Å; T126-T129 WeakPolarHBondContact O-CB 3.49Å; T126-T129 PolarHBondContact O-N 2.96Å; T126-T129 VanDerWaalsContact OG1-CB 3.23Å; T126-T129 WeakPolarHBondContact OG1-CB 3.2Å; T126-T129 PolarHBondContact OG1-OG1 2.88Å; E127-T129 VanDerWaalsContact C-N 3.27Å; E127-T129 PolarHBondContact O-N 3.49Å; T129-G133 WeakPolarHBondContact O-CA 3.35Å; T129-G133 PolarHBondContact O-N 3.48Å; T129-G221 PolarHBondContact OG1-O 3.07Å; T129-G221 VanDerWaalsContact OG1-O 3.08Å
130L98.3Very high97.7Very high11 Ų1121.5 Ų21.56%0.05812%0.115CC..Hα-helixtrans-62.5-49.3177.8177.662.7000111.8M107 T126 E127 P128 R134 L191 V194 L196M107-L130 HydrophobicContact CE-CD1 4.08Å; T126-L130 PolarHBondContact O-N 3.33Å; E127-L130 PolarHBondContact O-N 2.85Å; E127-L130 VanDerWaalsContact O-N 3.14Å; P128-L130 VanDerWaalsContact C-N 3.35Å; L130-R134 WeakPolarHBondContact O-CB 3.41Å; L130-R134 PolarHBondContact O-N 3.09Å; L130-L191 HydrophobicContact CD1-CB 4.27Å; L130-L191 HydrophobicContact CD1-CD2 3.57Å; L130-L191 HydrophobicContact CD1-CG 4.42Å; L130-V194 HydrophobicContact CD1-CB 3.97Å; L130-V194 HydrophobicContact CD1-CG1 4.04Å; L130-V194 HydrophobicContact CD1-CG2 3.94Å; L130-V194 HydrophobicContact CD2-CB 4.4Å; L130-V194 HydrophobicContact CD2-CG1 4.32Å; L130-L196 HydrophobicContact CB-CD2 4.18Å; L130-L196 HydrophobicContact CD2-CD2 3.59Å; L130-L196 HydrophobicContact CD2-CG 4.45Å
131Q98.3Very high97.8Very high35 Ų3515.4 Ų15.416%0.1648%0.077CC..Hα-helixtrans-71.1-42.8-174.6-62.1-57.2-18.500112.5E127 P128 R134 L135 F339 F343E127-Q131 PolarHBondContact O-N 3.15Å; E127-Q131 WeakPolarHBondContact OE1-CG 3.35Å; E127-Q131 PolarHBondContact OE1-NE2 3.04Å; P128-Q131 PolarHBondContact O-N 3.14Å; Q131-R134 WeakPolarHBondContact O-CB 3.47Å; Q131-R134 PolarHBondContact O-N 2.8Å; Q131-L135 WeakPolarHBondContact O-CG 3.24Å; Q131-L135 PolarHBondContact O-N 2.99Å; Q131-L135 VanDerWaalsContact O-N 3.1Å; Q131-F339 HydrophobicContact CB-CD2 4.16Å; Q131-F339 HydrophobicContact CB-CE2 3.81Å; Q131-F339 HydrophobicContact CB-CZ 4.02Å; Q131-F339 HydrophobicContact CG-CZ 4.37Å; Q131-F343 HydrophobicContact CB-CE2 4.08Å; Q131-F343 HydrophobicContact CB-CZ 4.17Å; Q131-F343 HydrophobicContact CG-CE2 4.29Å; Q131-F343 HydrophobicContact CG-CZ 3.87Å
132I98.3Very high97.8Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-68-40.1176-63169.7000110.3Y104 P128 R134 L135 L136 L220Y104-I132 HydrophobicContact CD1-CB 3.88Å; Y104-I132 HydrophobicContact CD1-CD1 4.11Å; Y104-I132 HydrophobicContact CD1-CG2 3.56Å; Y104-I132 HydrophobicContact CD2-CG2 3.87Å; Y104-I132 HydrophobicContact CE1-CD1 4.16Å; Y104-I132 HydrophobicContact CE1-CG2 3.91Å; Y104-I132 HydrophobicContact CE2-CG2 4.17Å; Y104-I132 HydrophobicContact CG-CB 4.05Å; Y104-I132 HydrophobicContact CG-CG2 3.55Å; P128-I132 WeakPolarHBondContact O-CB 3.41Å; P128-I132 VanDerWaalsContact O-CG1 3.27Å; P128-I132 WeakPolarHBondContact O-CG1 3.42Å; P128-I132 PolarHBondContact O-N 3.28Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 2.94Å; I132-L135 PolarHBondContact O-N 2.98Å; I132-L135 VanDerWaalsContact O-N 3.15Å; I132-L136 PolarHBondContact O-N 2.83Å; I132-L220 HydrophobicContact CD1-CB 3.99Å; I132-L220 HydrophobicContact CD1-CD2 4.1Å; I132-L220 HydrophobicContact CD1-CG 4.26Å
133G98.1Very high97.7Very high0 Ų015.8 Ų15.80%07%0.073CC..Hα-helixtrans-59.1-42.3174.200000112.1T129 L135 L136 M137T129-G133 WeakPolarHBondContact O-CA 3.35Å; T129-G133 PolarHBondContact O-N 3.48Å; G133-L135 PolarHBondContact O-N 3.06Å; G133-L136 PolarHBondContact O-N 3.25Å; G133-M137 VanDerWaalsContact O-CG 3.29Å; G133-M137 WeakPolarHBondContact O-CG 3.41Å; G133-M137 PolarHBondContact O-N 3.09Å
134R98.4Very high97.5Very high55 Ų5515.9 Ų15.921%0.2087%0.074CC..Hα-helixtrans-55.3-50171.8177.5-170.9-62.1-78.9-3111.4L130 Q131 I132 L136 M137 E138 N188 L191L130-R134 WeakPolarHBondContact O-CB 3.41Å; L130-R134 PolarHBondContact O-N 3.09Å; Q131-R134 WeakPolarHBondContact O-CB 3.47Å; Q131-R134 PolarHBondContact O-N 2.8Å; I132-R134 VanDerWaalsContact C-N 3.31Å; I132-R134 PolarHBondContact O-N 2.94Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 2.86Å; R134-M137 PolarHBondContact O-N 3Å; R134-E138 WeakPolarHBondContact CD-OE1 2.98Å; R134-E138 HydrophobicContact CG-CG 4.3Å; R134-E138 WeakPolarHBondContact CG-OE1 3.3Å; R134-E138 WeakPolarHBondContact O-CB 3.34Å; R134-E138 WeakPolarHBondContact O-CG 3.38Å; R134-E138 PolarHBondContact O-N 3.29Å; R134-N188 PolarHBondContact NH1-OD1 3.07Å; R134-L191 HydrophobicContact CB-CD1 3.71Å; R134-L191 HydrophobicContact CG-CD1 3.75Å
135L98.1Very high97.2Very high6 Ų620.2 Ų20.23%0.03110%0.095CC..Hα-helixtrans-59.5-42.1179.6-64.9-172.4000112.1Q131 I132 G133 E138 E139 V332 F339Q131-L135 WeakPolarHBondContact O-CG 3.24Å; Q131-L135 PolarHBondContact O-N 2.99Å; Q131-L135 VanDerWaalsContact O-N 3.1Å; I132-L135 PolarHBondContact O-N 2.98Å; I132-L135 VanDerWaalsContact O-N 3.15Å; G133-L135 PolarHBondContact O-N 3.06Å; L135-E138 PolarHBondContact O-N 2.87Å; L135-E139 VanDerWaalsContact O-CB 3.29Å; L135-E139 WeakPolarHBondContact O-CB 3.39Å; L135-E139 PolarHBondContact O-N 2.79Å; L135-V332 HydrophobicContact CB-CB 4.01Å; L135-V332 HydrophobicContact CB-CG1 4.18Å; L135-V332 HydrophobicContact CB-CG2 4.09Å; L135-V332 HydrophobicContact CD1-CB 4.34Å; L135-V332 HydrophobicContact CD2-CB 3.98Å; L135-V332 HydrophobicContact CD2-CG1 3.93Å; L135-V332 HydrophobicContact CG-CB 4.31Å; L135-F339 HydrophobicContact CD1-CD2 3.65Å; L135-F339 HydrophobicContact CD1-CE2 3.81Å; L135-F339 HydrophobicContact CD2-CE2 4.18Å; L135-F339 HydrophobicContact CG-CD2 4.3Å; L135-F339 HydrophobicContact CG-CE2 4.01Å
136L97.7Very high96.8Very high12 Ų1223.5 Ų23.56%0.06311%0.108CC..Hα-helixtrans-64.9-40.3176.9-68.7-179.4000112.4Y104 M108 I132 G133 R134 L140Y104-L136 HydrophobicContact CD2-CD1 3.46Å; Y104-L136 VanDerWaalsContact CD2-CD1 3.46Å; Y104-L136 HydrophobicContact CE2-CD1 4.04Å; Y104-L136 HydrophobicContact CG-CD1 4.39Å; M108-L136 HydrophobicContact SD-CB 3.98Å; I132-L136 PolarHBondContact O-N 2.83Å; G133-L136 PolarHBondContact O-N 3.25Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 2.86Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 3.02Å
137M98.1Very high96.3Very high0 Ų024.7 Ų24.70%012%0.115CC..Hα-helixtrans-67.3-43.4176.4-64.1-174.3-160.100111.6M107 M108 P111 G133 R134 L140 V141 Y182 V187 L191M107-M137 HydrophobicContact CB-CE 4.04Å; M107-M137 HydrophobicContact CE-CE 3.53Å; M107-M137 HydrophobicContact CG-CE 3.67Å; M107-M137 WeakPolarHBondContact O-CE 3.35Å; M107-M137 HydrophobicContact SD-CE 4.35Å; M108-M137 HydrophobicContact CE-CG 4.01Å; M108-M137 HydrophobicContact SD-CG 3.93Å; P111-M137 HydrophobicContact CG-SD 3.81Å; G133-M137 VanDerWaalsContact O-CG 3.29Å; G133-M137 WeakPolarHBondContact O-CG 3.41Å; G133-M137 PolarHBondContact O-N 3.09Å; R134-M137 PolarHBondContact O-N 3Å; M137-L140 PolarHBondContact O-N 2.89Å; M137-V141 VanDerWaalsContact O-CG2 3.31Å; M137-V141 WeakPolarHBondContact O-CG2 3.45Å; M137-V141 PolarHBondContact O-N 2.88Å; M137-Y182 HydrophobicContact CB-CE2 4.08Å; M137-Y182 WeakPolarHBondContact CB-OH 3.39Å; M137-Y182 HydrophobicContact CG-CE2 4.45Å; M137-Y182 VanDerWaalsContact CG-OH 3.26Å; M137-Y182 WeakPolarHBondContact CG-OH 3.4Å; M137-V187 HydrophobicContact CB-CG1 3.93Å; M137-V187 HydrophobicContact CB-CG2 3.92Å; M137-V187 HydrophobicContact SD-CG1 4.18Å; M137-V187 HydrophobicContact SD-CG2 4.44Å; M137-L191 HydrophobicContact CE-CD2 4.32Å; M137-L191 HydrophobicContact SD-CD2 4.34Å
138E97.8Very high95.4Very high54 Ų5427 Ų2725%0.25214%0.135SC..Hα-helixtrans-61.5-45.7176.3-79.6173.1-173.300111.8R134 L135 L140 V141 N142 M184 V332R134-E138 WeakPolarHBondContact CD-OE1 2.98Å; R134-E138 HydrophobicContact CG-CG 4.3Å; R134-E138 WeakPolarHBondContact CG-OE1 3.3Å; R134-E138 WeakPolarHBondContact O-CB 3.34Å; R134-E138 WeakPolarHBondContact O-CG 3.38Å; R134-E138 PolarHBondContact O-N 3.29Å; L135-E138 PolarHBondContact O-N 2.87Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 2.91Å; E138-V141 PolarHBondContact O-N 2.53Å; E138-N142 VanDerWaalsContact O-CB 3.23Å; E138-N142 WeakPolarHBondContact O-CB 3.5Å; E138-N142 PolarHBondContact O-N 2.99Å; E138-M184 HydrophobicContact CB-SD 4.42Å; E138-M184 HydrophobicContact CG-CE 3.55Å; E138-M184 HydrophobicContact CG-SD 3.9Å; E138-V332 HydrophobicContact CB-CG1 4.35Å
139E97.3Very high94.5Very high4 Ų429.5 Ų29.52%0.01915%0.145CC..Hα-helixtrans-59.9-46175.4-179.8176.7-111.800111.2L135 V141 N142 F143 S330 P331 V332L135-E139 VanDerWaalsContact O-CB 3.29Å; L135-E139 WeakPolarHBondContact O-CB 3.39Å; L135-E139 PolarHBondContact O-N 2.79Å; E139-V141 PolarHBondContact O-N 2.84Å; E139-N142 PolarHBondContact O-N 2.57Å; E139-F143 VanDerWaalsContact CD-CE2 3.5Å; E139-F143 HydrophobicContact CG-CD1 4.29Å; E139-F143 HydrophobicContact CG-CD2 3.78Å; E139-F143 HydrophobicContact CG-CE1 3.92Å; E139-F143 HydrophobicContact CG-CE2 3.32Å; E139-F143 HydrophobicContact CG-CG 4.3Å; E139-F143 HydrophobicContact CG-CZ 3.43Å; E139-F143 VanDerWaalsContact CG-CZ 3.43Å; E139-F143 WeakPolarHBondContact O-CB 3.47Å; E139-F143 WeakPolarHBondContact O-CG 3.24Å; E139-F143 PolarHBondContact O-N 3.45Å; E139-F143 WeakPolarHBondContact OE1-CZ 3.27Å; E139-S330 WeakPolarHBondContact OE1-CB 3.36Å; E139-S330 PolarHBondContact OE1-OG 2.83Å; E139-P331 HydrophobicContact CB-CG 4.25Å; E139-P331 HydrophobicContact CG-CG 3.95Å; E139-V332 HydrophobicContact CB-CG1 4.48Å; E139-V332 HydrophobicContact CB-CG2 3.97Å
140L96.8Very high93.2Very high11 Ų1134.8 Ų34.86%0.05819%0.189CC..Hα-helixtrans-59.8-48.4178.7-176.963.3000111.6F83 M108 L136 M137 E138 F143 M144 F402F83-L140 HydrophobicContact CE1-CD1 4.32Å; F83-L140 HydrophobicContact CE1-CD2 4.3Å; F83-L140 HydrophobicContact CZ-CD1 3.9Å; F83-L140 HydrophobicContact CZ-CD2 4.06Å; F83-L140 HydrophobicContact CZ-CG 4.39Å; M108-L140 HydrophobicContact CE-CD2 3.84Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 PolarHBondContact O-N 3.02Å; M137-L140 PolarHBondContact O-N 2.89Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 2.91Å; L140-F143 PolarHBondContact O-N 3.21Å; L140-M144 VanDerWaalsContact O-CG 3.25Å; L140-M144 WeakPolarHBondContact O-CG 3.34Å; L140-M144 PolarHBondContact O-N 3.36Å; L140-F402 HydrophobicContact CD1-CE2 3.71Å; L140-F402 HydrophobicContact CD1-CZ 3.72Å
141V96.9Very high92.2Very high1 Ų138 Ų381%0.00620%0.204CC..Hα-helixtrans-62.8-46178.9177.10000110.3M137 E138 E139 F143 M144 E145 Y182 M184 V187M137-V141 VanDerWaalsContact O-CG2 3.31Å; M137-V141 WeakPolarHBondContact O-CG2 3.45Å; M137-V141 PolarHBondContact O-N 2.88Å; E138-V141 PolarHBondContact O-N 2.53Å; E139-V141 PolarHBondContact O-N 2.84Å; V141-F143 VanDerWaalsContact C-N 3.31Å; V141-F143 PolarHBondContact O-N 3.02Å; V141-M144 PolarHBondContact O-N 3Å; V141-M144 VanDerWaalsContact O-N 3.1Å; V141-E145 VanDerWaalsContact CG1-CD 3.48Å; V141-E145 HydrophobicContact CG1-CG 3.97Å; V141-E145 WeakPolarHBondContact CG1-OE1 3.35Å; V141-E145 WeakPolarHBondContact O-CB 3.44Å; V141-E145 WeakPolarHBondContact O-CG 3.44Å; V141-E145 PolarHBondContact O-N 3.03Å; V141-Y182 HydrophobicContact CG2-CD2 3.65Å; V141-Y182 HydrophobicContact CG2-CE2 3.54Å; V141-Y182 WeakPolarHBondContact CG2-O 3.49Å; V141-M184 HydrophobicContact CB-CG 4.28Å; V141-M184 HydrophobicContact CB-SD 3.92Å; V141-M184 HydrophobicContact CG1-CB 4.48Å; V141-M184 HydrophobicContact CG1-CG 3.69Å; V141-M184 HydrophobicContact CG1-SD 4.02Å; V141-M184 HydrophobicContact CG2-SD 4.22Å; V141-V187 HydrophobicContact CG2-CG2 4.16Å
142N95.6Very high91.5Very high61 Ų6138.8 Ų38.833%0.32621%0.213SC..Hα-helixtrans-56.8-45.6176.9-174.2-73.8000111.5E138 E139 M144 E145 R146 P331E138-N142 VanDerWaalsContact O-CB 3.23Å; E138-N142 WeakPolarHBondContact O-CB 3.5Å; E138-N142 PolarHBondContact O-N 2.99Å; E139-N142 PolarHBondContact O-N 2.57Å; N142-M144 VanDerWaalsContact C-N 3.31Å; N142-M144 PolarHBondContact O-N 3.37Å; N142-E145 PolarHBondContact O-N 3.12Å; N142-R146 WeakPolarHBondContact O-CB 3.44Å; N142-R146 WeakPolarHBondContact O-CG 3.46Å; N142-R146 PolarHBondContact O-N 2.98Å; N142-R146 VanDerWaalsContact OD1-CD 3.26Å; N142-R146 WeakPolarHBondContact OD1-CD 3.46Å; N142-R146 PolarHBondContact OD1-NE 3.42Å; N142-P331 HydrophobicContact CB-CG 4.31Å
143F94.6Very high91.2Very high3 Ų338.9 Ų38.91%0.01321%0.214CC..Hα-helixtrans-62.5-36.9177.7-71.4-7.9000113E139 L140 V141 P331 H397 F402E139-F143 VanDerWaalsContact CD-CE2 3.5Å; E139-F143 HydrophobicContact CG-CD1 4.29Å; E139-F143 HydrophobicContact CG-CD2 3.78Å; E139-F143 HydrophobicContact CG-CE1 3.92Å; E139-F143 HydrophobicContact CG-CE2 3.32Å; E139-F143 HydrophobicContact CG-CG 4.3Å; E139-F143 HydrophobicContact CG-CZ 3.43Å; E139-F143 VanDerWaalsContact CG-CZ 3.43Å; E139-F143 WeakPolarHBondContact O-CB 3.47Å; E139-F143 WeakPolarHBondContact O-CG 3.24Å; E139-F143 PolarHBondContact O-N 3.45Å; E139-F143 WeakPolarHBondContact OE1-CZ 3.27Å; L140-F143 PolarHBondContact O-N 3.21Å; V141-F143 VanDerWaalsContact C-N 3.31Å; V141-F143 PolarHBondContact O-N 3.02Å; F143-P331 HydrophobicContact CE1-CG 3.99Å; F143-H397 HydrophobicContact CE2-CB 4.36Å; F143-F402 HydrophobicContact CB-CB 4.39Å; F143-F402 HydrophobicContact CB-CD2 3.95Å; F143-F402 AromaticContact CD2-CD2 3.68Å; F143-F402 HydrophobicContact CD2-CD2 3.68Å; F143-F402 HydrophobicContact CD2-CE2 4.14Å; F143-F402 HydrophobicContact CG-CD2 4.26Å
144M94Very high90.9Very high2 Ų242.2 Ų42.21%0.0123%0.234CC..Hα-helixtrans-76.1-40.4179.6-68.1-66.2104.500112.9L41 Q80 P81 L140 V141 N142 C181 F402L41-M144 HydrophobicContact CD1-CE 4.01Å; L41-M144 HydrophobicContact CD1-SD 4.4Å; Q80-M144 HydrophobicContact CG-SD 4.39Å; P81-M144 HydrophobicContact CG-CE 4.45Å; P81-M144 HydrophobicContact CG-SD 4.41Å; L140-M144 VanDerWaalsContact O-CG 3.25Å; L140-M144 WeakPolarHBondContact O-CG 3.34Å; L140-M144 PolarHBondContact O-N 3.36Å; V141-M144 PolarHBondContact O-N 3Å; V141-M144 VanDerWaalsContact O-N 3.1Å; N142-M144 VanDerWaalsContact C-N 3.31Å; N142-M144 PolarHBondContact O-N 3.37Å; M144-C181 HydrophobicContact CB-CB 4.06Å; M144-C181 HydrophobicContact CG-CB 3.66Å; M144-F402 HydrophobicContact CE-CB 3.29Å; M144-F402 HydrophobicContact CE-CD1 3.26Å; M144-F402 HydrophobicContact CE-CD2 3.83Å; M144-F402 HydrophobicContact CE-CE1 3.96Å; M144-F402 HydrophobicContact CE-CE2 4.43Å; M144-F402 HydrophobicContact CE-CG 3.17Å; M144-F402 HydrophobicContact CE-CZ 4.49Å
145E92.5Very high90.6Very high117 Ų11741.9 Ų41.955%0.54724%0.24SC..Hα-helixtrans-75.7-27-178.1-70.9-176.7167.900112.9V141 N142 V147 P148V141-E145 VanDerWaalsContact CG1-CD 3.48Å; V141-E145 HydrophobicContact CG1-CG 3.97Å; V141-E145 WeakPolarHBondContact CG1-OE1 3.35Å; V141-E145 WeakPolarHBondContact O-CB 3.44Å; V141-E145 WeakPolarHBondContact O-CG 3.44Å; V141-E145 PolarHBondContact O-N 3.03Å; N142-E145 PolarHBondContact O-N 3.12Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 2.88Å; E145-P148 WeakPolarHBondContact O-CD 3.32Å
146R90.1Very high90.3Very high70 Ų7041.6 Ų41.626%0.26424%0.238SC..Hα-helixtrans-65.4-28.9177.2-79.8-170.5-57.6147.64113.7L43 N142 S378 D404L43-R146 HydrophobicContact CD2-CB 4.41Å; N142-R146 WeakPolarHBondContact O-CB 3.44Å; N142-R146 WeakPolarHBondContact O-CG 3.46Å; N142-R146 PolarHBondContact O-N 2.98Å; N142-R146 VanDerWaalsContact OD1-CD 3.26Å; N142-R146 WeakPolarHBondContact OD1-CD 3.46Å; N142-R146 PolarHBondContact OD1-NE 3.42Å; R146-S378 PolarHBondContact NH1-OG 2.95Å; R146-D404 IonicContact CZ-OD1 3Å; R146-D404 IonicContact NH1-OD1 2.86Å; R146-D404 PolarHBondContact NH1-OD1 2.98Å; R146-D404 IonicContact NH1-OD2 2.6Å; R146-D404 IonicContact NH2-OD1 3.15Å; R146-D404 PolarHBondContact NH2-OD1 3.25Å
147V86.9Confident90.1Very high25 Ų2542.6 Ų42.615%0.15224%0.242CC..SBendtrans-129.770-178.1-1670000110.5L41 L43 E145 K149L41-V147 HydrophobicContact CB-CB 4.12Å; L41-V147 HydrophobicContact CB-CG1 4.03Å; L43-V147 HydrophobicContact CD2-CG2 3.72Å; L43-V147 HydrophobicContact CG-CG2 4.44Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 2.88Å; V147-K149 PolarHBondContact O-N 3.06Å
148P79.3Confident89.9Confident101 Ų10149.8 Ų49.866%0.65627%0.27SS*.  trans-71.8117.8-178.529.2-30.9000109.7E145E145-P148 WeakPolarHBondContact O-CD 3.32Å
149K79.8Confident89.6Confident51 Ų5153.5 Ų53.522%0.22229%0.286CS..  trans-84.8117.9168.6-82.1-168.2175.4178.50109.8L41 D78 V147 Q151L41-K149 HydrophobicContact CD2-CD 3.63Å; L41-K149 VanDerWaalsContact CD2-CE 3.46Å; L41-K149 HydrophobicContact CD2-CG 3.89Å; D78-K149 IonicContact OD1-NZ 3.18Å; D78-K149 PolarHBondContact OD1-NZ 2.82Å; V147-K149 PolarHBondContact O-N 3.06Å; K149-Q151 PolarHBondContact O-N 3.36Å
150A70.4Confident89.2Confident111 Ų11161.1 Ų61.192%0.91732%0.321SS*.  trans-66.1-24.6173.700000112.6S152A150-S152 PolarHBondContact O-N 2.85Å
151Q77.9Confident89Confident79 Ų7962 Ų6237%0.36933%0.326SS..  trans-80120.4-177.5-173164.610.100111.9K66 S79 K149K66-Q151 VanDerWaalsContact C-NE2 3.31Å; K66-Q151 PolarHBondContact O-NE2 2.94Å; S79-Q151 PolarHBondContact OG-O 2.62Å; K149-Q151 PolarHBondContact O-N 3.36Å
152S83.9Confident88.8Confident51 Ų5163.1 Ų63.136%0.35733%0.331SS..  trans-97.3132.9172.4-169.50000110.2S79 A150 R180S79-S152 WeakPolarHBondContact OG-CA 3.44Å; A150-S152 PolarHBondContact O-N 2.85Å; S152-R180 PolarHBondContact OG-NH2 3.13Å
153A90.9Very high88.6Confident2 Ų268.8 Ų68.82%0.01735%0.348CS..  trans-108.6108.517300000109.9E67 V77 S79 W156E67-A153 HydrophobicContact CB-CB 3.82Å; E67-A153 HydrophobicContact CG-CB 3.9Å; V77-A153 HydrophobicContact CG1-CB 3.52Å; S79-A153 PolarHBondContact OG-N 3.1Å; A153-W156 PolarHBondContact O-NE1 3.23Å
154T91.6Very high88.4Confident71 Ų7173.5 Ų73.544%0.43637%0.372SS..  trans-124-25.9-176.752.10000113.2E67 W156 K157E67-T154 PolarHBondContact OE1-N 3.25Å; E67-T154 PolarHBondContact OE2-N 2.82Å; T154-W156 PolarHBondContact O-N 2.93Å; T154-K157 WeakPolarHBondContact O-CB 3.29Å; T154-K157 PolarHBondContact O-N 3.32Å
155C91.8Very high88.2Confident48 Ų4873.6 Ų73.632%0.32437%0.373SS..G310 helixtrans-66.4-40-175.7-55.40000111.4L64 E67 K157 Y158 I161L64-C155 HydrophobicContact CD2-CB 3.74Å; E67-C155 WeakPolarHBondContact OE1-CB 3.49Å; E67-C155 PolarHBondContact OE1-N 3.35Å; E67-C155 PolarHBondContact OE1-SG 2.93Å; E67-C155 WeakPolarHBondContact OE2-CA 3.47Å; E67-C155 WeakPolarHBondContact OE2-CB 3.23Å; E67-C155 PolarHBondContact OE2-N 3.15Å; C155-K157 PolarHBondContact O-N 3.18Å; C155-Y158 WeakPolarHBondContact O-CD2 3.35Å; C155-Y158 PolarHBondContact O-N 3.17Å; C155-Y158 VanDerWaalsContact O-N 3.14Å; C155-I161 WeakPolarHBondContact O-CD1 3.39Å
156W92.8Very high88.2Confident0 Ų070.4 Ų70.40%036%0.363CS..G310 helixtrans-58.4-22.1178.873.9-85.2000114.2F38 L64 E67 L68 V77 A153 T154 Y158 L165 L169 V175 W178F38-W156 HydrophobicContact CZ-CZ2 4.3Å; L64-W156 HydrophobicContact CD1-CB 4.28Å; E67-W156 PolarHBondContact OE2-N 2.88Å; L68-W156 HydrophobicContact CD1-CB 4.22Å; L68-W156 HydrophobicContact CD2-CB 4.08Å; L68-W156 HydrophobicContact CD2-CG 4.22Å; L68-W156 HydrophobicContact CG-CB 4.36Å; V77-W156 HydrophobicContact CG1-CZ2 4.33Å; V77-W156 HydrophobicContact CG2-CD2 4.01Å; V77-W156 HydrophobicContact CG2-CE3 4.37Å; V77-W156 HydrophobicContact CG2-CH2 4.12Å; V77-W156 HydrophobicContact CG2-CZ2 3.78Å; V77-W156 HydrophobicContact CG2-CZ3 4.41Å; A153-W156 PolarHBondContact O-NE1 3.23Å; T154-W156 PolarHBondContact O-N 2.93Å; W156-Y158 VanDerWaalsContact C-N 3.34Å; W156-L165 HydrophobicContact CB-CD1 4.26Å; W156-L165 HydrophobicContact CE3-CD1 4.28Å; W156-L169 HydrophobicContact CE3-CD2 4.22Å; W156-L169 HydrophobicContact CH2-CD2 4.3Å; W156-L169 HydrophobicContact CZ3-CD2 3.77Å; W156-V175 HydrophobicContact CE3-CG1 4.27Å; W156-V175 HydrophobicContact CH2-CG1 3.23Å; W156-V175 HydrophobicContact CH2-CG2 4.48Å; W156-V175 HydrophobicContact CZ2-CG1 3.9Å; W156-V175 HydrophobicContact CZ3-CB 4.48Å; W156-V175 HydrophobicContact CZ3-CG1 3.44Å; W156-V175 VanDerWaalsContact CZ3-CG1 3.44Å; W156-V175 HydrophobicContact CZ3-CG2 4.26Å; W156-W178 HydrophobicContact CH2-CE3 4.14Å; W156-W178 AromaticContact CH2-CZ3 3.81Å; W156-W178 HydrophobicContact CH2-CZ3 3.81Å
157K93.7Very high88.1Confident33 Ų3369 Ų6914%0.14337%0.37CS..G310 helixtrans-76.8-15.2-179.1-56.3-168.5174.5-176.90114.1E82 T154 C155 K159 V175E82-K157 IonicContact OE1-NZ 2.62Å; E82-K157 PolarHBondContact OE1-NZ 2.59Å; E82-K157 WeakPolarHBondContact OE2-CE 3.4Å; E82-K157 IonicContact OE2-NZ 3.06Å; E82-K157 PolarHBondContact OE2-NZ 3Å; T154-K157 WeakPolarHBondContact O-CB 3.29Å; T154-K157 PolarHBondContact O-N 3.32Å; C155-K157 PolarHBondContact O-N 3.18Å; K157-K159 PolarHBondContact O-N 3.25Å; K157-V175 HydrophobicContact CB-CG1 4.04Å; K157-V175 HydrophobicContact CD-CG1 3.94Å; K157-V175 HydrophobicContact CG-CG1 3.64Å
158Y92.9Very high88.2Confident151 Ų15170 Ų7059%0.59238%0.376SS*.SBendtrans-63.1129.4178-71-63.6000109.9C155 W156 E160 I161 Q162C155-Y158 WeakPolarHBondContact O-CD2 3.35Å; C155-Y158 PolarHBondContact O-N 3.17Å; C155-Y158 VanDerWaalsContact O-N 3.14Å; W156-Y158 VanDerWaalsContact C-N 3.34Å; Y158-E160 PolarHBondContact O-N 2.94Å; Y158-I161 HydrophobicContact CD2-CD1 4.2Å; Y158-I161 WeakPolarHBondContact O-CA 3.19Å; Y158-I161 WeakPolarHBondContact O-CB 3.19Å; Y158-I161 PolarHBondContact O-N 2.98Å; Y158-Q162 PolarHBondContact O-N 3.49Å
159K91.1Very high88.8Confident132 Ų13265.2 Ų65.257%0.57435%0.345SS*.Hα-helixtrans-53.6-35.4-173-70.8-171.9177.1-176.10113.5K157 R163K157-K159 PolarHBondContact O-N 3.25Å; K159-R163 WeakPolarHBondContact O-CD 3.49Å; K159-R163 WeakPolarHBondContact O-CG 3.41Å; K159-R163 PolarHBondContact O-N 2.99Å
160E90.8Very high89.4Confident163 Ų16368 Ų6876%0.76236%0.358SS*.Hα-helixtrans-66.6-40.5176.9-63.4179.6179.700112.1Y158 L164Y158-E160 PolarHBondContact O-N 2.94Å; E160-L164 WeakPolarHBondContact O-CG 3.42Å
161I91.3Very high90.4Very high31 Ų3168.3 Ų68.316%0.15934%0.344CS..Hα-helixtrans-74.2-48.1178.8-63.2-178.4000110.2I62 L64 C155 Y158 R163 L164 L165I62-I161 HydrophobicContact CD1-CG1 4.39Å; I62-I161 HydrophobicContact CG2-CG2 4.5Å; L64-I161 HydrophobicContact CD1-CG2 3.67Å; C155-I161 WeakPolarHBondContact O-CD1 3.39Å; Y158-I161 HydrophobicContact CD2-CD1 4.2Å; Y158-I161 WeakPolarHBondContact O-CA 3.19Å; Y158-I161 WeakPolarHBondContact O-CB 3.19Å; Y158-I161 PolarHBondContact O-N 2.98Å; I161-R163 PolarHBondContact O-N 3.41Å; I161-L164 WeakPolarHBondContact O-CB 3.38Å; I161-L164 PolarHBondContact O-N 2.99Å; I161-L165 PolarHBondContact O-N 2.83Å
162Q92.4Very high90.9Very high23 Ų2365.5 Ų65.511%0.10733%0.334CS..Hα-helixtrans-53.8-40.2-179-170.9-169.1-2.600112Y158 L164 L165 L169 A172Y158-Q162 PolarHBondContact O-N 3.49Å; Q162-L164 PolarHBondContact O-N 2.89Å; Q162-L165 WeakPolarHBondContact O-CB 3.35Å; Q162-L165 PolarHBondContact O-N 3.2Å; Q162-L165 VanDerWaalsContact O-N 3.15Å; Q162-L169 WeakPolarHBondContact CG-O 3.35Å; Q162-L169 PolarHBondContact NE2-O 2.91Å; Q162-A172 PolarHBondContact NE2-O 3.03Å
163R91.1Very high90.9Very high180 Ų18067 Ų6768%0.67934%0.341SS*.THydrogen-bonded Turntrans-62.1-25.4178.5-76.4172-178.3-179.11.4114.1K159 I161 K170K159-R163 WeakPolarHBondContact O-CD 3.49Å; K159-R163 WeakPolarHBondContact O-CG 3.41Å; K159-R163 PolarHBondContact O-N 2.99Å; I161-R163 PolarHBondContact O-N 3.41Å; R163-K170 WeakPolarHBondContact O-CE 3.26Å
164L90.4Very high90.5Very high102 Ų10270.3 Ų70.353%0.53436%0.356SS..THydrogen-bonded Turntrans-90.4-14.8-179.6-60.1171.8000112.6I62 E160 I161 Q162I62-L164 HydrophobicContact CD1-CD1 3.36Å; E160-L164 WeakPolarHBondContact O-CG 3.42Å; I161-L164 WeakPolarHBondContact O-CB 3.38Å; I161-L164 PolarHBondContact O-N 2.99Å; Q162-L164 PolarHBondContact O-N 2.89Å
165L91.4Very high90.5Very high4 Ų467 Ų672%0.02134%0.336CS..SBendtrans-69.1155.4176.4-59.8178.8000110.7W55 L64 L68 W156 I161 Q162 L169 K170W55-L165 HydrophobicContact CD2-CD2 4.39Å; W55-L165 HydrophobicContact CE3-CD2 4.15Å; W55-L165 HydrophobicContact CH2-CD2 3.68Å; W55-L165 HydrophobicContact CZ2-CD2 3.95Å; W55-L165 HydrophobicContact CZ3-CD2 3.79Å; L64-L165 HydrophobicContact CD1-CD2 4.37Å; L68-L165 HydrophobicContact CD1-CD1 4.37Å; L68-L165 HydrophobicContact CD1-CD2 3.6Å; W156-L165 HydrophobicContact CB-CD1 4.26Å; W156-L165 HydrophobicContact CE3-CD1 4.28Å; I161-L165 PolarHBondContact O-N 2.83Å; Q162-L165 WeakPolarHBondContact O-CB 3.35Å; Q162-L165 PolarHBondContact O-N 3.2Å; Q162-L165 VanDerWaalsContact O-N 3.15Å; L165-L169 HydrophobicContact CB-CB 4.18Å; L165-L169 HydrophobicContact CD1-CB 3.95Å; L165-L169 HydrophobicContact CD1-CD1 4.21Å; L165-K170 WeakPolarHBondContact O-CB 3.36Å
166P91.3Very high90.3Very high51 Ų5168.4 Ų68.433%0.33135%0.346SS..PPolyproline II helixtrans-70.2156.8167.228.5-31.6000111.3V75 L169 K170V75-P166 HydrophobicContact CB-CG 4.01Å; V75-P166 HydrophobicContact CG2-CG 3.31Å; P166-L169 PolarHBondContact O-N 3.07Å; P166-K170 PolarHBondContact O-N 2.6Å
167G88.1Confident90.1Very high40 Ų4070.4 Ų70.441%0.41236%0.359SS..THydrogen-bonded Turntrans-62.7144166.600000110.2
168P89.4Confident90.1Very high45 Ų4569.4 Ų69.429%0.29235%0.354SS..THydrogen-bonded Turncis-88.8-11.313.5-8.827.3000115.9K170 D171 A172P168-K170 PolarHBondContact O-N 3.04Å; P168-D171 PolarHBondContact O-N 2.88Å; P168-D171 VanDerWaalsContact O-N 3.08Å; P168-A172 PolarHBondContact O-N 2.68Å
169L91.6Very high90.1Very high1 Ų167.5 Ų67.51%0.00535%0.349CS..G310 helixtrans-60.4-35.2-177.8-70.9173000112.7Q37 L68 V75 V77 W156 Q162 L165 P166 D171 A172Q37-L169 HydrophobicContact CB-CD2 3.76Å; Q37-L169 HydrophobicContact CG-CD2 4.11Å; L68-L169 HydrophobicContact CD2-CD1 4.27Å; V75-L169 HydrophobicContact CB-CD1 4.08Å; V75-L169 HydrophobicContact CG1-CD1 3.79Å; V77-L169 HydrophobicContact CG2-CD1 4.43Å; V77-L169 HydrophobicContact CG2-CD2 3.89Å; W156-L169 HydrophobicContact CE3-CD2 4.22Å; W156-L169 HydrophobicContact CH2-CD2 4.3Å; W156-L169 HydrophobicContact CZ3-CD2 3.77Å; Q162-L169 WeakPolarHBondContact CG-O 3.35Å; Q162-L169 PolarHBondContact NE2-O 2.91Å; L165-L169 HydrophobicContact CB-CB 4.18Å; L165-L169 HydrophobicContact CD1-CB 3.95Å; L165-L169 HydrophobicContact CD1-CD1 4.21Å; P166-L169 PolarHBondContact O-N 3.07Å; L169-D171 VanDerWaalsContact C-N 3.29Å; L169-D171 PolarHBondContact O-N 3.44Å; L169-A172 WeakPolarHBondContact O-CB 3.46Å; L169-A172 PolarHBondContact O-N 2.86Å
170K92.1Very high90.2Very high111 Ų11166.3 Ų66.348%0.48334%0.34SS..G310 helixtrans-58.8-39.9174.5-171.1-179.7175.1-178.70113.5R163 L165 P166 P168R163-K170 WeakPolarHBondContact O-CE 3.26Å; L165-K170 WeakPolarHBondContact O-CB 3.36Å; P166-K170 PolarHBondContact O-N 2.6Å; P168-K170 PolarHBondContact O-N 3.04Å
171D90.6Very high90.4Very high117 Ų11759.6 Ų59.663%0.62631%0.311SS*.G310 helixtrans-94.5-1.3-171.1-52.4-47.7000112P168 L169 V173P168-D171 PolarHBondContact O-N 2.88Å; P168-D171 VanDerWaalsContact O-N 3.08Å; L169-D171 VanDerWaalsContact C-N 3.29Å; L169-D171 PolarHBondContact O-N 3.44Å; D171-V173 PolarHBondContact O-N 3.45Å
172A89.4Confident90.6Very high20 Ų2058.6 Ų58.617%0.16531%0.306CS..  trans-64130.6178.700000111.8Q162 P168 L169 V175 W178Q162-A172 PolarHBondContact NE2-O 3.03Å; P168-A172 PolarHBondContact O-N 2.68Å; L169-A172 WeakPolarHBondContact O-CB 3.46Å; L169-A172 PolarHBondContact O-N 2.86Å; A172-V175 HydrophobicContact CB-CG2 3.58Å; A172-W178 HydrophobicContact CB-CH2 3.93Å; A172-W178 HydrophobicContact CB-CZ2 3.92Å
173V85Confident90.8Very high83 Ų8359.3 Ų59.350%0.50331%0.313SS..SBendtrans-87.5132.6-174.4-179.80000110.9D171 V175 W178D171-V173 PolarHBondContact O-N 3.45Å; V173-V175 VanDerWaalsContact C-N 3.3Å; V173-V175 PolarHBondContact O-N 2.6Å; V173-W178 PolarHBondContact O-NE1 2.64Å; V173-W178 VanDerWaalsContact O-NE1 3.07Å
174E82.4Confident91.2Very high71 Ų7153.3 Ų53.333%0.33229%0.294SS..  trans49.842.7170.8-66.8-54.5137.100115.1S176 T177 W178E174-S176 PolarHBondContact O-N 2.86Å; E174-T177 HydrophobicContact CB-CG2 4.2Å; E174-T177 WeakPolarHBondContact O-CB 3.21Å; E174-T177 PolarHBondContact O-N 3.25Å; E174-T177 PolarHBondContact O-OG1 3.04Å; E174-W178 VanDerWaalsContact O-CD1 3.29Å
175V90.5Very high91.5Very high2 Ų255.2 Ų55.21%0.01230%0.3CS..G310 helixtrans-54.2-29.8-178.1-178.90000113.5W156 K157 A172 V173 T177 W178W156-V175 HydrophobicContact CE3-CG1 4.27Å; W156-V175 HydrophobicContact CH2-CG1 3.23Å; W156-V175 HydrophobicContact CH2-CG2 4.48Å; W156-V175 HydrophobicContact CZ2-CG1 3.9Å; W156-V175 HydrophobicContact CZ3-CB 4.48Å; W156-V175 HydrophobicContact CZ3-CG1 3.44Å; W156-V175 VanDerWaalsContact CZ3-CG1 3.44Å; W156-V175 HydrophobicContact CZ3-CG2 4.26Å; K157-V175 HydrophobicContact CB-CG1 4.04Å; K157-V175 HydrophobicContact CD-CG1 3.94Å; K157-V175 HydrophobicContact CG-CG1 3.64Å; A172-V175 HydrophobicContact CB-CG2 3.58Å; V173-V175 VanDerWaalsContact C-N 3.3Å; V173-V175 PolarHBondContact O-N 2.6Å; V175-T177 PolarHBondContact O-N 3.2Å; V175-W178 HydrophobicContact CB-CD2 4.48Å; V175-W178 HydrophobicContact CG1-CD2 4.28Å; V175-W178 HydrophobicContact CG1-CE3 4.24Å; V175-W178 HydrophobicContact CG2-CH2 4.3Å; V175-W178 HydrophobicContact CG2-CZ2 3.99Å; V175-W178 WeakPolarHBondContact O-CB 3.34Å; V175-W178 PolarHBondContact O-N 3.38Å
176S88.1Confident91.8Very high76 Ų7656.6 Ų56.653%0.53131%0.307SS..G310 helixtrans-63.1-25.9175.742.40000113.6E174E174-S176 PolarHBondContact O-N 2.86Å
177T88.3Confident92.1Very high43 Ų4354.1 Ų54.126%0.26429%0.291SS..G310 helixtrans-87.3-10.9179.869.80000112.9E174 V175E174-T177 HydrophobicContact CB-CG2 4.2Å; E174-T177 WeakPolarHBondContact O-CB 3.21Å; E174-T177 PolarHBondContact O-N 3.25Å; E174-T177 PolarHBondContact O-OG1 3.04Å; V175-T177 PolarHBondContact O-N 3.2Å
178W92.7Very high92.6Very high12 Ų1255.9 Ų55.95%0.04529%0.291CS..  trans-63.8138-177.4-65.59.4000110.8Q37 F38 E82 F83 W156 A172 V173 E174 V175Q37-W178 HydrophobicContact CG-CH2 4.13Å; Q37-W178 HydrophobicContact CG-CZ3 4.47Å; F38-W178 HydrophobicContact CE2-CE3 4.19Å; F38-W178 AromaticContact CE2-CZ3 3.97Å; F38-W178 HydrophobicContact CE2-CZ3 3.97Å; F38-W178 HydrophobicContact CZ-CE3 4.36Å; F38-W178 HydrophobicContact CZ-CZ3 4.43Å; E82-W178 HydrophobicContact CB-CB 3.99Å; E82-W178 HydrophobicContact CB-CE3 4.47Å; F83-W178 VanDerWaalsContact O-CA 3.24Å; F83-W178 WeakPolarHBondContact O-CA 3.38Å; W156-W178 HydrophobicContact CH2-CE3 4.14Å; W156-W178 AromaticContact CH2-CZ3 3.81Å; W156-W178 HydrophobicContact CH2-CZ3 3.81Å; A172-W178 HydrophobicContact CB-CH2 3.93Å; A172-W178 HydrophobicContact CB-CZ2 3.92Å; V173-W178 PolarHBondContact O-NE1 2.64Å; V173-W178 VanDerWaalsContact O-NE1 3.07Å; E174-W178 VanDerWaalsContact O-CD1 3.29Å; V175-W178 HydrophobicContact CB-CD2 4.48Å; V175-W178 HydrophobicContact CG1-CD2 4.28Å; V175-W178 HydrophobicContact CG1-CE3 4.24Å; V175-W178 HydrophobicContact CG2-CH2 4.3Å; V175-W178 HydrophobicContact CG2-CZ2 3.99Å; V175-W178 WeakPolarHBondContact O-CB 3.34Å; V175-W178 PolarHBondContact O-N 3.38Å
179K92.9Very high93Very high111 Ų11155.8 Ų55.848%0.48329%0.291SS..EExtended strand (participates in β ladder)trans-124.7148.4-178-67.4-60.6-176.6176.90111.2E82 F83 L85 Y112E82-K179 CarbonylContact C-O 3.58Å; E82-K179 VanDerWaalsContact CA-O 3.27Å; E82-K179 WeakPolarHBondContact CA-O 3.43Å; E82-K179 WeakPolarHBondContact CB-O 3.41Å; F83-K179 PolarHBondContact N-O 3.45Å; F83-K179 PolarHBondContact O-N 3.49Å; F83-K179 VanDerWaalsContact O-N 3.07Å; L85-K179 HydrophobicContact CD1-CB 4.02Å; L85-K179 HydrophobicContact CD1-CG 3.43Å; L85-K179 VanDerWaalsContact CD1-CG 3.43Å; L85-K179 HydrophobicContact CG-CB 4.36Å; L85-K179 HydrophobicContact CG-CG 4.18Å; Y112-K179 HydrophobicContact CE1-CB 4.07Å
180R93.8Very high93.3Very high106 Ų10655.7 Ų55.740%0.429%0.291SS..EExtended strand (participates in β ladder)trans-65.6162167.7-62.1178.1-175.1179.42.2110E82 Y112 S152E82-R180 HydrophobicContact CG-CG 4.02Å; Y112-R180 WeakPolarHBondContact CE1-O 3.42Å; Y112-R180 PolarHBondContact OH-O 2.82Å; S152-R180 PolarHBondContact OG-NH2 3.13Å
181C95.1Very high93.5Very high23 Ų2350.6 Ų50.616%0.15527%0.269CS..PPolyproline II helixtrans-49.9140.4175-164.60000112F83 Y112 M144F83-C181 HydrophobicContact CE2-CB 3.96Å; Y112-C181 VanDerWaalsContact OH-CA 3.29Å; Y112-C181 WeakPolarHBondContact OH-CA 3.36Å; M144-C181 HydrophobicContact CB-CB 4.06Å; M144-C181 HydrophobicContact CG-CB 3.66Å
182Y96.6Very high93.8Very high10 Ų1049.7 Ų49.74%0.03927%0.271CS..PPolyproline II helixtrans-67.4168.5170.247.2-109.7000111.3M108 P111 Y112 M137 V141 V187M108-Y182 WeakPolarHBondContact CE-OH 3.32Å; M108-Y182 WeakPolarHBondContact O-CE1 3.15Å; P111-Y182 HydrophobicContact CB-CD1 3.84Å; P111-Y182 HydrophobicContact CB-CD2 4.4Å; P111-Y182 HydrophobicContact CB-CE1 4.4Å; P111-Y182 HydrophobicContact CB-CG 3.86Å; P111-Y182 HydrophobicContact CG-CD1 3.92Å; P111-Y182 HydrophobicContact CG-CD2 4.31Å; P111-Y182 HydrophobicContact CG-CE1 3.98Å; P111-Y182 HydrophobicContact CG-CE2 4.35Å; P111-Y182 HydrophobicContact CG-CG 4.12Å; Y112-Y182 HydrophobicContact CD2-CD1 4.03Å; Y112-Y182 HydrophobicContact CD2-CE1 4.46Å; Y112-Y182 HydrophobicContact CE1-CD1 4.06Å; Y112-Y182 AromaticContact CE2-CD1 3.52Å; Y112-Y182 HydrophobicContact CE2-CD1 3.52Å; Y112-Y182 AromaticContact CE2-CE1 3.88Å; Y112-Y182 HydrophobicContact CE2-CE1 3.88Å; Y112-Y182 AromaticContact CZ-CD1 3.53Å; Y112-Y182 PolarHBondContact OH-N 2.77Å; M137-Y182 HydrophobicContact CB-CE2 4.08Å; M137-Y182 WeakPolarHBondContact CB-OH 3.39Å; M137-Y182 HydrophobicContact CG-CE2 4.45Å; M137-Y182 VanDerWaalsContact CG-OH 3.26Å; M137-Y182 WeakPolarHBondContact CG-OH 3.4Å; V141-Y182 HydrophobicContact CG2-CD2 3.65Å; V141-Y182 HydrophobicContact CG2-CE2 3.54Å; V141-Y182 WeakPolarHBondContact CG2-O 3.49Å; Y182-V187 HydrophobicContact CD2-CG2 3.39Å; Y182-V187 HydrophobicContact CE2-CG2 3.26Å
183S96.9Very high94.1Very high38 Ų3851.8 Ų51.827%0.26628%0.277SS..PPolyproline II helixtrans-91.316517870.40000112.7Q185 D186 V187S183-Q185 PolarHBondContact O-N 3.34Å; S183-Q185 PolarHBondContact OG-N 2.79Å; S183-D186 WeakPolarHBondContact CB-OD2 3.39Å; S183-D186 PolarHBondContact N-OD2 3.28Å; S183-D186 PolarHBondContact O-N 3.07Å; S183-D186 VanDerWaalsContact O-N 3.13Å; S183-D186 PolarHBondContact OG-N 3.27Å; S183-D186 PolarHBondContact OG-OD2 3.09Å; S183-V187 WeakPolarHBondContact O-CG2 3.16Å; S183-V187 PolarHBondContact O-N 3.49Å; S183-V187 VanDerWaalsContact O-N 3.09Å
184M97.7Very high94.8Very high54 Ų5448.7 Ų48.727%0.26626%0.258SS..Hα-helixtrans-59.5-28.5170-84.6-47.1-55.700113.2E138 V141 V187 N188E138-M184 HydrophobicContact CB-SD 4.42Å; E138-M184 HydrophobicContact CG-CE 3.55Å; E138-M184 HydrophobicContact CG-SD 3.9Å; V141-M184 HydrophobicContact CB-CG 4.28Å; V141-M184 HydrophobicContact CB-SD 3.92Å; V141-M184 HydrophobicContact CG1-CB 4.48Å; V141-M184 HydrophobicContact CG1-CG 3.69Å; V141-M184 HydrophobicContact CG1-SD 4.02Å; V141-M184 HydrophobicContact CG2-SD 4.22Å; M184-V187 HydrophobicContact CE-CB 4.4Å; M184-V187 HydrophobicContact CE-CG1 4.4Å; M184-N188 PolarHBondContact O-N 2.73Å; M184-N188 VanDerWaalsContact O-N 3.1Å; M184-N188 PolarHBondContact O-ND2 2.73Å
185Q97.8Very high95.5Very high142 Ų14250 Ų5066%0.66426%0.264SS*.Hα-helixtrans-66.3-46.3174.6-178.2177-5.900110.5S183 V187 N188 S189S183-Q185 PolarHBondContact O-N 3.34Å; S183-Q185 PolarHBondContact OG-N 2.79Å; Q185-V187 VanDerWaalsContact C-N 3.3Å; Q185-V187 PolarHBondContact O-N 2.72Å; Q185-N188 PolarHBondContact O-N 3.44Å; Q185-S189 WeakPolarHBondContact O-CB 3.39Å; Q185-S189 PolarHBondContact O-N 2.86Å; Q185-S189 PolarHBondContact O-OG 3.13Å
186D97.9Very high95.9Very high32 Ų3253.9 Ų53.917%0.17128%0.284CS..Hα-helixtrans-61.3-41178.6-55.3-44.5000111P111 E115 S183 S189 A190P111-D186 HydrophobicContact CB-CB 4.1Å; E115-D186 HydrophobicContact CG-CB 4.1Å; S183-D186 WeakPolarHBondContact CB-OD2 3.39Å; S183-D186 PolarHBondContact N-OD2 3.28Å; S183-D186 PolarHBondContact O-N 3.07Å; S183-D186 VanDerWaalsContact O-N 3.13Å; S183-D186 PolarHBondContact OG-N 3.27Å; S183-D186 PolarHBondContact OG-OD2 3.09Å; D186-S189 PolarHBondContact O-N 3.42Å; D186-A190 WeakPolarHBondContact O-CB 3.47Å; D186-A190 PolarHBondContact O-N 2.89Å
187V98.2Very high96.4Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-57.3-54.2174.6175.30000110.8P111 M137 V141 Y182 S183 M184 Q185 S189 A190 L191P111-V187 HydrophobicContact CG-CG2 4.46Å; M137-V187 HydrophobicContact CB-CG1 3.93Å; M137-V187 HydrophobicContact CB-CG2 3.92Å; M137-V187 HydrophobicContact SD-CG1 4.18Å; M137-V187 HydrophobicContact SD-CG2 4.44Å; V141-V187 HydrophobicContact CG2-CG2 4.16Å; Y182-V187 HydrophobicContact CD2-CG2 3.39Å; Y182-V187 HydrophobicContact CE2-CG2 3.26Å; S183-V187 WeakPolarHBondContact O-CG2 3.16Å; S183-V187 PolarHBondContact O-N 3.49Å; S183-V187 VanDerWaalsContact O-N 3.09Å; M184-V187 HydrophobicContact CE-CB 4.4Å; M184-V187 HydrophobicContact CE-CG1 4.4Å; Q185-V187 VanDerWaalsContact C-N 3.3Å; Q185-V187 PolarHBondContact O-N 2.72Å; V187-S189 VanDerWaalsContact C-N 3.35Å; V187-S189 PolarHBondContact O-N 2.87Å; V187-A190 PolarHBondContact O-N 2.82Å; V187-L191 HydrophobicContact CG1-CD1 3.58Å; V187-L191 HydrophobicContact CG1-CG 4.3Å; V187-L191 WeakPolarHBondContact O-CB 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.81Å
188N98.1Very high96.8Very high77 Ų7749.6 Ų49.641%0.41226%0.261SS..Hα-helixtrans-63.4-40.9-178.1-73-44.6000112.4R134 M184 Q185 S192R134-N188 PolarHBondContact NH1-OD1 3.07Å; M184-N188 PolarHBondContact O-N 2.73Å; M184-N188 VanDerWaalsContact O-N 3.1Å; M184-N188 PolarHBondContact O-ND2 2.73Å; Q185-N188 PolarHBondContact O-N 3.44Å; N188-S192 PolarHBondContact O-N 2.81Å; N188-S192 VanDerWaalsContact O-N 3.15Å; N188-S192 PolarHBondContact O-OG 2.88Å
189S97.5Very high97.1Very high42 Ų4251.1 Ų51.129%0.29427%0.266SS..Hα-helixtrans-67.2-35.4177.4-72.50000112.8Q185 D186 V187 S192 K193Q185-S189 WeakPolarHBondContact O-CB 3.39Å; Q185-S189 PolarHBondContact O-N 2.86Å; Q185-S189 PolarHBondContact O-OG 3.13Å; D186-S189 PolarHBondContact O-N 3.42Å; V187-S189 VanDerWaalsContact C-N 3.35Å; V187-S189 PolarHBondContact O-N 2.87Å; S189-S192 PolarHBondContact O-OG 3.28Å; S189-K193 PolarHBondContact O-NZ 3.11Å
190A97.6Very high97.3Very high0 Ų049.5 Ų49.50%027%0.269CS..Hα-helixtrans-71.2-47.9176.400000111.6L110 P111 T114 E115 D186 V187 S192 K193L110-A190 HydrophobicContact CG-CB 4.43Å; P111-A190 HydrophobicContact CB-CB 4.17Å; P111-A190 HydrophobicContact CG-CB 4.1Å; T114-A190 WeakPolarHBondContact OG1-CB 3.4Å; E115-A190 WeakPolarHBondContact OE1-CA 3.07Å; E115-A190 PolarHBondContact OE1-N 3.25Å; D186-A190 WeakPolarHBondContact O-CB 3.47Å; D186-A190 PolarHBondContact O-N 2.89Å; V187-A190 PolarHBondContact O-N 2.82Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 2.81Å; A190-K193 WeakPolarHBondContact O-CB 3.14Å; A190-K193 PolarHBondContact O-N 2.76Å; A190-K193 VanDerWaalsContact O-N 3.12Å
191L97.6Very high97.5Very high4 Ų448.8 Ų48.82%0.02127%0.271CS..Hα-helixtrans-68.1-26.5-176.3-62.1173.7000112.8M107 L130 R134 M137 V187 K193 V194M107-L191 HydrophobicContact CE-CD2 3.27Å; L130-L191 HydrophobicContact CD1-CB 4.27Å; L130-L191 HydrophobicContact CD1-CD2 3.57Å; L130-L191 HydrophobicContact CD1-CG 4.42Å; R134-L191 HydrophobicContact CB-CD1 3.71Å; R134-L191 HydrophobicContact CG-CD1 3.75Å; M137-L191 HydrophobicContact CE-CD2 4.32Å; M137-L191 HydrophobicContact SD-CD2 4.34Å; V187-L191 HydrophobicContact CG1-CD1 3.58Å; V187-L191 HydrophobicContact CG1-CG 4.3Å; V187-L191 WeakPolarHBondContact O-CB 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.81Å; L191-K193 PolarHBondContact O-N 2.87Å; L191-V194 WeakPolarHBondContact O-CB 3.34Å; L191-V194 PolarHBondContact O-N 2.81Å; L191-V194 VanDerWaalsContact O-N 3.16Å
192S96.6Very high97.6Very high97 Ų9754.3 Ų54.368%0.67829%0.292SS*.THydrogen-bonded Turntrans-66.9-15.8174.667.50000113.9N188 S189 A190 V194N188-S192 PolarHBondContact O-N 2.81Å; N188-S192 VanDerWaalsContact O-N 3.15Å; N188-S192 PolarHBondContact O-OG 2.88Å; S189-S192 PolarHBondContact O-OG 3.28Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 2.81Å; S192-V194 VanDerWaalsContact C-N 3.35Å
193K95.8Very high97.6Very high65 Ų6554.9 Ų54.928%0.28330%0.296SS..THydrogen-bonded Turntrans-86.8-4.3175.7-56.6179.4-179.978.20113.1T114 E115 V123 S189 A190 L191T114-K193 HydrophobicContact CG2-CD 4.28Å; E115-K193 IonicContact OE1-NZ 2.7Å; E115-K193 PolarHBondContact OE1-NZ 3.27Å; E115-K193 IonicContact OE2-NZ 3.75Å; E115-K193 PolarHBondContact OE2-NZ 3.41Å; V123-K193 PolarHBondContact N-O 2.69Å; S189-K193 PolarHBondContact O-NZ 3.11Å; A190-K193 WeakPolarHBondContact O-CB 3.14Å; A190-K193 PolarHBondContact O-N 2.76Å; A190-K193 VanDerWaalsContact O-N 3.12Å; L191-K193 PolarHBondContact O-N 2.87Å
194V98.3Very high97.5Very high18 Ų1857.3 Ų57.311%0.10930%0.304CS..EExtended strand (participates in β ladder)trans-84.2125.4-177.1-175.10000110.6L110 V123 A125 L130 L191 S192L110-V194 HydrophobicContact CD2-CG2 4.07Å; V123-V194 HydrophobicContact CB-CG2 4.05Å; V123-V194 HydrophobicContact CG1-CG1 4.43Å; V123-V194 HydrophobicContact CG1-CG2 3.93Å; V123-V194 CarbonylContact O-C 3.43Å; V123-V194 WeakPolarHBondContact O-CA 3.34Å; A125-V194 HydrophobicContact CB-CG1 3.81Å; L130-V194 HydrophobicContact CD1-CB 3.97Å; L130-V194 HydrophobicContact CD1-CG1 4.04Å; L130-V194 HydrophobicContact CD1-CG2 3.94Å; L130-V194 HydrophobicContact CD2-CB 4.4Å; L130-V194 HydrophobicContact CD2-CG1 4.32Å; L191-V194 WeakPolarHBondContact O-CB 3.34Å; L191-V194 PolarHBondContact O-N 2.81Å; L191-V194 VanDerWaalsContact O-N 3.16Å; S192-V194 VanDerWaalsContact C-N 3.35Å
195Q98.3Very high97.3Very high97 Ų9755 Ų5545%0.45329%0.292SS..EExtended strand (participates in β ladder)trans-96.3129.8169.5-68-169.3-12.600110.1T122 V123 Y124 A125T122-Q195 HydrophobicContact CG2-CB 4.19Å; T122-Q195 HydrophobicContact CG2-CG 3.67Å; V123-Q195 PolarHBondContact O-N 2.93Å; Y124-Q195 WeakPolarHBondContact CA-O 3.49Å; Y124-Q195 HydrophobicContact CD1-CB 3.71Å; Y124-Q195 HydrophobicContact CE1-CB 3.63Å; Y124-Q195 HydrophobicContact CE1-CG 4.37Å; Y124-Q195 PolarHBondContact OH-OE1 2.82Å; A125-Q195 PolarHBondContact N-O 3.02Å
196L98.4Very high96.8Very high84 Ų8452.9 Ų52.944%0.4428%0.281SS..EExtended strand (participates in β ladder)trans-80.9136.4-177.3-62.6169.8000111.3A125 E127 L130A125-L196 WeakPolarHBondContact O-CA 3.36Å; E127-L196 HydrophobicContact CB-CD2 4.29Å; E127-L196 WeakPolarHBondContact OE2-CD1 3.45Å; E127-L196 WeakPolarHBondContact OE2-CD2 3.2Å; E127-L196 WeakPolarHBondContact OE2-CG 3.11Å; L130-L196 HydrophobicContact CB-CD2 4.18Å; L130-L196 HydrophobicContact CD2-CD2 3.59Å; L130-L196 HydrophobicContact CD2-CG 4.45Å
197V98.3Very high96.1Very high4 Ų451.7 Ų51.72%0.02428%0.276CS..  trans-132.1135.1174.8-680000111.7Y124 A125 T126 Q201 V203 P213 W225Y124-V197 HydrophobicContact CD1-CG1 3.71Å; Y124-V197 HydrophobicContact CE1-CG1 4.4Å; A125-V197 WeakPolarHBondContact O-CG2 3.47Å; A125-V197 PolarHBondContact O-N 2.79Å; T126-V197 WeakPolarHBondContact CA-O 3.25Å; V197-Q201 VanDerWaalsContact CA-OE1 3.3Å; V197-V203 HydrophobicContact CG1-CG2 3.69Å; V197-P213 HydrophobicContact CB-CG 4.23Å; V197-P213 HydrophobicContact CG2-CG 3.82Å; V197-W225 HydrophobicContact CG2-CH2 3.58Å; V197-W225 HydrophobicContact CG2-CZ2 4.45Å; V197-W225 HydrophobicContact CG2-CZ3 4.24Å
198G98Very high95.5Very high26 Ų2651.9 Ų51.927%0.26828%0.278SS..  trans-80.9159.6172.300000112S200 Q201 P213G198-S200 PolarHBondContact O-N 3.19Å; G198-Q201 WeakPolarHBondContact O-CB 3.05Å; G198-Q201 PolarHBondContact O-N 3.13Å; G198-Q201 VanDerWaalsContact O-N 3.17Å; G198-P213 VanDerWaalsContact O-CG 3.27Å; G198-P213 WeakPolarHBondContact O-CG 3.25Å
199Y97.9Very high95.2Very high43 Ų4348.3 Ų48.317%0.16926%0.259CS..THydrogen-bonded Turntrans-56.3142.1170.3-69-38.3000111.6T126 Q201 P213 G221 S222 W346T126-Y199 HydrophobicContact CG2-CD1 4.41Å; T126-Y199 HydrophobicContact CG2-CE1 4.12Å; Y199-Q201 PolarHBondContact O-N 3.38Å; Y199-P213 WeakPolarHBondContact CA-O 3.26Å; Y199-G221 VanDerWaalsContact OH-C 3.3Å; Y199-S222 PolarHBondContact OH-O 2.99Å; Y199-W346 AromaticContact CD1-CZ3 3.79Å; Y199-W346 HydrophobicContact CD1-CZ3 3.79Å; Y199-W346 AromaticContact CD2-CE3 3.71Å; Y199-W346 HydrophobicContact CD2-CE3 3.71Å; Y199-W346 AromaticContact CD2-CZ3 3.61Å; Y199-W346 HydrophobicContact CD2-CZ3 3.61Å; Y199-W346 HydrophobicContact CE1-CE3 4.07Å; Y199-W346 AromaticContact CE1-CZ3 3.59Å; Y199-W346 HydrophobicContact CE1-CZ3 3.59Å; Y199-W346 HydrophobicContact CE2-CD2 4.29Å; Y199-W346 AromaticContact CE2-CE3 3.19Å; Y199-W346 HydrophobicContact CE2-CE3 3.19Å; Y199-W346 AromaticContact CE2-CZ3 3.44Å; Y199-W346 HydrophobicContact CE2-CZ3 3.44Å; Y199-W346 VanDerWaalsContact CE2-CZ3 3.44Å; Y199-W346 HydrophobicContact CG-CE3 4.35Å; Y199-W346 AromaticContact CG-CZ3 3.78Å; Y199-W346 HydrophobicContact CG-CZ3 3.78Å; Y199-W346 AromaticContact CZ-CE3 3.37Å; Y199-W346 AromaticContact CZ-CZ3 3.4Å; Y199-W346 VanDerWaalsContact CZ-CZ3 3.4Å
200S97.3Very high95.1Very high78 Ų7848.6 Ų48.655%0.54526%0.256SS..THydrogen-bonded Turntrans62.35.6-177.9-56.30000115.1G198 K202 P213G198-S200 PolarHBondContact O-N 3.19Å; S200-K202 PolarHBondContact O-N 3.25Å; S200-P213 PolarHBondContact N-O 3.1Å
201Q97.7Very high95.1Very high91 Ų9148.6 Ų48.643%0.42526%0.256SS..  trans-70.6125172.3-175.3179.2-9.600109.9V197 G198 Y199 V203 P213V197-Q201 VanDerWaalsContact CA-OE1 3.3Å; G198-Q201 WeakPolarHBondContact O-CB 3.05Å; G198-Q201 PolarHBondContact O-N 3.13Å; G198-Q201 VanDerWaalsContact O-N 3.17Å; Y199-Q201 PolarHBondContact O-N 3.38Å; Q201-V203 HydrophobicContact CG-CG2 4.36Å; Q201-P213 WeakPolarHBondContact O-CD 3.42Å
202K97.3Very high95.2Very high139 Ų13949 Ų4960%0.60426%0.258SS*.  trans-89.1117.8178-68.5175.4172.7-1640109.9S200 Q210S200-K202 PolarHBondContact O-N 3.25Å; K202-Q210 HydrophobicContact CB-CG 4.09Å; K202-Q210 VanDerWaalsContact CD-OE1 3.29Å; K202-Q210 HydrophobicContact CG-CG 4.39Å
203V97.2Very high95.2Very high21 Ų2144.3 Ų44.313%0.12723%0.225CC..EExtended strand (participates in β ladder)trans-112.1123.1176.4-177.20000109.1Y124 V197 Q201 L205 Q210 V211Y124-V203 HydrophobicContact CE1-CG1 3.96Å; Y124-V203 HydrophobicContact CE2-CG1 4.41Å; V197-V203 HydrophobicContact CG1-CG2 3.69Å; Q201-V203 HydrophobicContact CG-CG2 4.36Å; V203-L205 HydrophobicContact CG1-CD2 3.96Å; V203-Q210 CarbonylContact O-C 3.53Å; V203-Q210 WeakPolarHBondContact O-CA 3.38Å; V203-V211 HydrophobicContact CB-CG2 3.85Å; V203-V211 HydrophobicContact CG1-CG2 4.43Å; V203-V211 PolarHBondContact N-O 3.26Å; V203-V211 PolarHBondContact O-N 3.41Å
204E94.2Very high95.4Very high90 Ų9041.5 Ų41.542%0.42121%0.213SC..EExtended strand (participates in β ladder)trans-88.1116.8178.4-169.774.4-16900110G207E204-G207 WeakPolarHBondContact OE1-CA 3.47Å
205L92.4Very high95.3Very high4 Ų440.8 Ų40.82%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-96.1105.3178.2-55.1-174.7000110.1I24 V98 Y124 V203 G207 A208 V209 V211I24-L205 HydrophobicContact CD1-CD1 3.92Å; I24-L205 HydrophobicContact CG1-CD1 4.41Å; V98-L205 HydrophobicContact CB-CD1 4.32Å; V98-L205 HydrophobicContact CG1-CD1 4.04Å; V98-L205 HydrophobicContact CG1-CD2 4.47Å; V98-L205 HydrophobicContact CG2-CD1 4.16Å; V98-L205 HydrophobicContact CG2-CD2 4.11Å; Y124-L205 HydrophobicContact CD2-CD2 4.44Å; Y124-L205 HydrophobicContact CE2-CD2 3.65Å; V203-L205 HydrophobicContact CG1-CD2 3.96Å; L205-G207 PolarHBondContact O-N 2.86Å; L205-A208 PolarHBondContact O-N 3.29Å; L205-V209 HydrophobicContact CB-CG2 4.03Å; L205-V209 WeakPolarHBondContact CB-O 3.05Å; L205-V209 HydrophobicContact CD1-CG2 4.19Å; L205-V209 HydrophobicContact CG-CG2 4.47Å; L205-V209 PolarHBondContact N-O 2.89Å; L205-V209 PolarHBondContact O-N 3.45Å; L205-V211 HydrophobicContact CD1-CB 4.4Å; L205-V211 HydrophobicContact CD1-CG1 3.47Å; L205-V211 VanDerWaalsContact CD1-CG1 3.47Å; L205-V211 HydrophobicContact CD1-CG2 4Å; L205-V211 HydrophobicContact CD2-CG2 4.23Å; L205-V211 HydrophobicContact CG-CG1 4.06Å; L205-V211 HydrophobicContact CG-CG2 4.02Å
206F88.6Confident95.3Very high98 Ų9836.1 Ų36.143%0.4319%0.187SC..THydrogen-bonded Turntrans49.931172.9-42.3-72.2000114.9T22 D97 V98 A208 D548T22-F206 HydrophobicContact CG2-CD2 3.77Å; T22-F206 HydrophobicContact CG2-CE2 4.09Å; D97-F206 HydrophobicContact CB-CE2 3.55Å; D97-F206 HydrophobicContact CB-CZ 3.86Å; V98-F206 HydrophobicContact CG2-CE2 3.72Å; V98-F206 HydrophobicContact CG2-CZ 4.08Å; F206-A208 PolarHBondContact O-N 3.09Å; F206-D548 CarbonylContact O-C 3.56Å
207G82.7Confident95.2Very high7 Ų732.2 Ų32.27%0.07217%0.167CC..THydrogen-bonded Turntrans63.64.6-176.500000115.5E204 L205E204-G207 WeakPolarHBondContact OE1-CA 3.47Å; L205-G207 PolarHBondContact O-N 2.86Å
208A85.4Confident95.1Very high4 Ų433 Ų333%0.03317%0.17CC..THydrogen-bonded Turntrans-90.6-48-176.900000111.7T22 L205 F206 N549T22-A208 WeakPolarHBondContact OG1-CB 3.44Å; L205-A208 PolarHBondContact O-N 3.29Å; F206-A208 PolarHBondContact O-N 3.09Å; A208-N549 HydrophobicContact CB-CB 4.09Å
209V92Very high94.9Very high3 Ų332 Ų322%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-143.9149.3-177.2-62.80000110.8F19 I24 L205 V211 I227 Q228F19-V209 HydrophobicContact CD1-CG1 3.54Å; F19-V209 HydrophobicContact CE1-CG1 3.75Å; F19-V209 HydrophobicContact CG-CG1 4.5Å; I24-V209 HydrophobicContact CD1-CG2 3.67Å; L205-V209 HydrophobicContact CB-CG2 4.03Å; L205-V209 WeakPolarHBondContact CB-O 3.05Å; L205-V209 HydrophobicContact CD1-CG2 4.19Å; L205-V209 HydrophobicContact CG-CG2 4.47Å; L205-V209 PolarHBondContact N-O 2.89Å; L205-V209 PolarHBondContact O-N 3.45Å; V209-V211 HydrophobicContact CG2-CG1 4.5Å; V209-I227 HydrophobicContact CB-CG2 4.18Å; V209-I227 HydrophobicContact CG1-CG2 4.4Å; V209-I227 HydrophobicContact CG2-CG2 4.17Å; V209-Q228 CarbonylContact C-O 3.56Å; V209-Q228 WeakPolarHBondContact CA-O 3.36Å
210Q95.7Very high94.8Very high48 Ų4830 Ų3022%0.22415%0.15CC..EExtended strand (participates in β ladder)trans-99.1133.6168.3179166.9100.100109.1K202 V203 Q228K202-Q210 HydrophobicContact CB-CG 4.09Å; K202-Q210 VanDerWaalsContact CD-OE1 3.29Å; K202-Q210 HydrophobicContact CG-CG 4.39Å; V203-Q210 CarbonylContact O-C 3.53Å; V203-Q210 WeakPolarHBondContact O-CA 3.38Å; Q210-Q228 PolarHBondContact N-O 3.3Å; Q210-Q228 PolarHBondContact O-N 3.42Å
211V97.8Very high94.7Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-113.7140.9174.6-57.50000110.5L100 V203 L205 V209 W225 I226 I227L100-V211 HydrophobicContact CD1-CB 4.33Å; L100-V211 HydrophobicContact CD1-CG1 4.03Å; L100-V211 HydrophobicContact CD2-CG2 4.23Å; V203-V211 HydrophobicContact CB-CG2 3.85Å; V203-V211 HydrophobicContact CG1-CG2 4.43Å; V203-V211 PolarHBondContact N-O 3.26Å; V203-V211 PolarHBondContact O-N 3.41Å; L205-V211 HydrophobicContact CD1-CB 4.4Å; L205-V211 HydrophobicContact CD1-CG1 3.47Å; L205-V211 VanDerWaalsContact CD1-CG1 3.47Å; L205-V211 HydrophobicContact CD1-CG2 4Å; L205-V211 HydrophobicContact CD2-CG2 4.23Å; L205-V211 HydrophobicContact CG-CG1 4.06Å; L205-V211 HydrophobicContact CG-CG2 4.02Å; V209-V211 HydrophobicContact CG2-CG1 4.5Å; V211-W225 HydrophobicContact CB-CE3 4.34Å; V211-W225 HydrophobicContact CG2-CZ3 4.29Å; V211-I226 CarbonylContact C-O 3.56Å; V211-I226 VanDerWaalsContact CA-O 3.25Å; V211-I226 WeakPolarHBondContact CA-O 3.47Å; V211-I227 HydrophobicContact CG1-CB 4.45Å; V211-I227 HydrophobicContact CG1-CG1 4.07Å; V211-I227 HydrophobicContact CG1-CG2 4.22Å
212T98.4Very high94.7Very high11 Ų1122 Ų227%0.06711%0.105CC..EExtended strand (participates in β ladder)trans-140.4118.4-179.5-53.70000109.7L214 I226T212-L214 HydrophobicContact CG2-CD2 4.28Å; T212-I226 PolarHBondContact N-O 3.47Å; T212-I226 PolarHBondContact O-N 3.28Å
213P98.4Very high94.8Very high0 Ų015.4 Ų15.40%08%0.076CC..EExtended strand (participates in β ladder)trans-81.5140.6173.833.8-33.7000110.4V197 G198 Y199 S200 Q201 W225V197-P213 HydrophobicContact CB-CG 4.23Å; V197-P213 HydrophobicContact CG2-CG 3.82Å; G198-P213 VanDerWaalsContact O-CG 3.27Å; G198-P213 WeakPolarHBondContact O-CG 3.25Å; Y199-P213 WeakPolarHBondContact CA-O 3.26Å; S200-P213 PolarHBondContact N-O 3.1Å; Q201-P213 WeakPolarHBondContact O-CD 3.42Å; P213-W225 HydrophobicContact CB-CD2 4.15Å; P213-W225 HydrophobicContact CB-CE3 3.86Å; P213-W225 HydrophobicContact CB-CH2 3.95Å; P213-W225 HydrophobicContact CB-CZ2 4.17Å; P213-W225 HydrophobicContact CB-CZ3 3.77Å; P213-W225 HydrophobicContact CG-CE3 4.45Å; P213-W225 HydrophobicContact CG-CH2 4.24Å; P213-W225 HydrophobicContact CG-CZ3 3.97Å
214L98.2Very high94.8Very high5 Ų514.4 Ų14.43%0.0267%0.07CC..EExtended strand (participates in β ladder)trans-131.6150.8178.1-60.8173.2000109.8T212 S216 S223 N224 I226 D251T212-L214 HydrophobicContact CG2-CD2 4.28Å; L214-S216 PolarHBondContact O-N 3.12Å; L214-S223 CarbonylContact O-C 3.56Å; L214-S223 WeakPolarHBondContact O-CA 3.41Å; L214-S223 WeakPolarHBondContact O-CB 3.46Å; L214-N224 PolarHBondContact N-O 3.25Å; L214-N224 PolarHBondContact O-N 3.49Å; L214-I226 HydrophobicContact CD1-CD1 3.88Å; L214-I226 HydrophobicContact CD1-CG1 3.4Å; L214-I226 VanDerWaalsContact CD1-CG1 3.4Å; L214-I226 HydrophobicContact CG-CG1 4.15Å; L214-D251 HydrophobicContact CB-CB 4.35Å
215S97.9Very high95Very high3 Ų310.2 Ų10.22%0.0215%0.05CC..EExtended strand (participates in β ladder)trans-57.9131.9179-170.30000111.8G217 Q248 P249 M250 D251S215-G217 PolarHBondContact OG-N 3.33Å; S215-Q248 PolarHBondContact OG-O 3.29Å; S215-P249 WeakPolarHBondContact CB-O 3.5Å; S215-M250 WeakPolarHBondContact O-CA 3.43Å; S215-D251 PolarHBondContact O-N 3.4Å; S215-D251 VanDerWaalsContact O-N 3.11Å
216S97.4Very high95.3Very high0 Ų010.2 Ų10.20%05%0.05CC..  trans-90.2-14.9174.286.70000113.3L214 Y218 S222 G239 S240 S241 M250L214-S216 PolarHBondContact O-N 3.12Å; S216-Y218 PolarHBondContact O-N 2.94Å; S216-Y218 PolarHBondContact OG-N 2.97Å; S216-S222 PolarHBondContact N-O 3.25Å; S216-S222 VanDerWaalsContact OG-CB 3.28Å; S216-S222 WeakPolarHBondContact OG-CB 3.45Å; S216-S222 PolarHBondContact OG-OG 3.49Å; S216-G239 PolarHBondContact OG-O 2.85Å; S216-G239 VanDerWaalsContact OG-O 3.11Å; S216-S240 WeakPolarHBondContact O-CA 3.1Å; S216-S240 WeakPolarHBondContact O-CB 3.34Å; S216-S241 PolarHBondContact O-N 3.19Å; S216-M250 WeakPolarHBondContact O-CB 3.1Å
217G96.3Very high95.7Very high1 Ų15.6 Ų5.61%0.013%0.03CC..SBendtrans71.72.1-176.400000116.1S215 S241 P247 Q248S215-G217 PolarHBondContact OG-N 3.33Å; G217-S241 WeakPolarHBondContact O-CB 3.11Å; G217-P247 VanDerWaalsContact O-CG 3.23Å; G217-P247 WeakPolarHBondContact O-CG 3.35Å; G217-Q248 VanDerWaalsContact CA-O 3.3Å; G217-Q248 WeakPolarHBondContact CA-O 3.43Å
218Y95.6Very high96.2Very high22 Ų228 Ų89%0.0864%0.039CC..SBendtrans-87.9-54.1-174.8170.5-126.4000114.1S216 G239 T450 R451S216-Y218 PolarHBondContact O-N 2.94Å; S216-Y218 PolarHBondContact OG-N 2.97Å; Y218-G239 WeakPolarHBondContact CB-O 3.4Å; Y218-G239 WeakPolarHBondContact CD1-O 3.44Å; Y218-T450 WeakPolarHBondContact CD2-OG1 3.31Å; Y218-R451 HydrophobicContact CD2-CG 3.77Å; Y218-R451 HydrophobicContact CE1-CG 4.39Å; Y218-R451 HydrophobicContact CE2-CG 3.47Å; Y218-R451 VanDerWaalsContact CE2-CG 3.47Å; Y218-R451 HydrophobicContact CG-CG 4.37Å; Y218-R451 VanDerWaalsContact CZ-NE 3.31Å; Y218-R451 PolarHBondContact OH-NE 3.24Å; Y218-R451 VanDerWaalsContact OH-NE 3.12Å; Y218-R451 PolarHBondContact OH-NH2 3.18Å
219S94.9Very high96.4Very high3 Ų38.9 Ų8.92%0.0215%0.046CC..SBendtrans-139.4162.2-177.449.50000111.6G221 S222S219-G221 PolarHBondContact O-N 3.16Å; S219-G221 VanDerWaalsContact O-N 3.14Å; S219-S222 PolarHBondContact N-OG 3.15Å; S219-S222 VanDerWaalsContact O-CB 3.29Å; S219-S222 WeakPolarHBondContact O-CB 3.29Å; S219-S222 PolarHBondContact O-N 3.45Å; S219-S222 PolarHBondContact O-OG 3.15Å; S219-S222 VanDerWaalsContact OG-CB 3.3Å; S219-S222 WeakPolarHBondContact OG-CB 3.46Å
220L95.7Very high95.9Very high1 Ų113.9 Ų13.91%0.0057%0.069CC..THydrogen-bonded Turntrans-57.2118.2-177.3-171.456.7000111.6P128 I132 S222 F343 W346 L347P128-L220 HydrophobicContact CB-CG 3.96Å; I132-L220 HydrophobicContact CD1-CB 3.99Å; I132-L220 HydrophobicContact CD1-CD2 4.1Å; I132-L220 HydrophobicContact CD1-CG 4.26Å; L220-S222 VanDerWaalsContact C-N 3.3Å; L220-S222 PolarHBondContact O-N 2.74Å; L220-F343 HydrophobicContact CD1-CB 4.41Å; L220-F343 HydrophobicContact CD2-CB 4.18Å; L220-F343 HydrophobicContact CD2-CD2 4.44Å; L220-W346 HydrophobicContact CD1-CB 3.67Å; L220-L347 HydrophobicContact CD1-CD2 3.66Å; L220-L347 HydrophobicContact CD1-CG 4.39Å
221G95.8Very high95.4Very high0 Ų015.7 Ų15.70%07%0.074CC..THydrogen-bonded Turntrans80.4-3-176.300000115.8T126 T129 Y199 S219T126-G221 WeakPolarHBondContact CB-O 3.26Å; T126-G221 WeakPolarHBondContact CG2-O 3.42Å; T126-G221 PolarHBondContact OG1-O 2.87Å; T129-G221 PolarHBondContact OG1-O 3.07Å; T129-G221 VanDerWaalsContact OG1-O 3.08Å; Y199-G221 VanDerWaalsContact OH-C 3.3Å; S219-G221 PolarHBondContact O-N 3.16Å; S219-G221 VanDerWaalsContact O-N 3.14Å
222S97.3Very high95Very high1 Ų116.7 Ų16.71%0.0078%0.079CC..  trans-67.1140.4-176.860.20000113.6S102 Y199 S216 S219 L220S102-S222 CarbonylContact O-C 3.51Å; S102-S222 VanDerWaalsContact O-CA 3.23Å; S102-S222 WeakPolarHBondContact O-CA 3.44Å; Y199-S222 PolarHBondContact OH-O 2.99Å; S216-S222 PolarHBondContact N-O 3.25Å; S216-S222 VanDerWaalsContact OG-CB 3.28Å; S216-S222 WeakPolarHBondContact OG-CB 3.45Å; S216-S222 PolarHBondContact OG-OG 3.49Å; S219-S222 PolarHBondContact N-OG 3.15Å; S219-S222 VanDerWaalsContact O-CB 3.29Å; S219-S222 WeakPolarHBondContact O-CB 3.29Å; S219-S222 PolarHBondContact O-N 3.45Å; S219-S222 PolarHBondContact O-OG 3.15Å; S219-S222 VanDerWaalsContact OG-CB 3.3Å; S219-S222 WeakPolarHBondContact OG-CB 3.46Å; L220-S222 VanDerWaalsContact C-N 3.3Å; L220-S222 PolarHBondContact O-N 2.74Å
223S98Very high94.7Very high1 Ų117.6 Ų17.61%0.0078%0.082CC..EExtended strand (participates in β ladder)trans-133.4144-170.264.70000115.4S102 L214 W225S102-S223 WeakPolarHBondContact CB-O 3.4Å; S102-S223 PolarHBondContact O-N 2.95Å; S102-S223 PolarHBondContact O-OG 3.33Å; S102-S223 PolarHBondContact OG-O 2.63Å; L214-S223 CarbonylContact O-C 3.56Å; L214-S223 WeakPolarHBondContact O-CA 3.41Å; L214-S223 WeakPolarHBondContact O-CB 3.46Å; S223-W225 PolarHBondContact OG-NE1 3.28Å
224N98.4Very high94.6Very high1 Ų117.6 Ų17.61%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-96.8132.6162-68.9-30.4000108.5L214 Y236 V237 S238 S240L214-N224 PolarHBondContact N-O 3.25Å; L214-N224 PolarHBondContact O-N 3.49Å; N224-Y236 CarbonylContact C-O 3.35Å; N224-Y236 WeakPolarHBondContact CA-O 3.4Å; N224-Y236 WeakPolarHBondContact CB-O 3.49Å; N224-V237 WeakPolarHBondContact OD1-CA 3.34Å; N224-S238 PolarHBondContact OD1-N 2.83Å; N224-S240 PolarHBondContact ND2-OG 3.16Å; N224-S240 PolarHBondContact OD1-OG 2.81Å; N224-S240 VanDerWaalsContact OD1-OG 3.06Å
225W98.5Very high94.6Very high1 Ų117.4 Ų17.40%0.0048%0.081CC..EExtended strand (participates in β ladder)trans-100126.4-174.7-68.691.9000111.1L100 I101 S102 V197 V211 P213 S223 Y236L100-W225 HydrophobicContact CB-CD2 3.99Å; L100-W225 HydrophobicContact CB-CE3 4.48Å; L100-W225 HydrophobicContact CB-CG 4.25Å; L100-W225 HydrophobicContact CB-CZ2 4.17Å; L100-W225 HydrophobicContact CD1-CB 4.29Å; L100-W225 HydrophobicContact CD1-CD2 4.04Å; L100-W225 HydrophobicContact CD1-CE3 4.02Å; L100-W225 HydrophobicContact CD1-CG 4.18Å; L100-W225 HydrophobicContact CD2-CE3 4.18Å; L100-W225 HydrophobicContact CD2-CH2 4.11Å; L100-W225 HydrophobicContact CD2-CZ3 3.96Å; L100-W225 HydrophobicContact CG-CD2 4.41Å; L100-W225 HydrophobicContact CG-CE3 4.46Å; I101-W225 WeakPolarHBondContact O-CZ2 3.2Å; I101-W225 PolarHBondContact O-NE1 2.97Å; I101-W225 VanDerWaalsContact O-NE1 3.14Å; S102-W225 VanDerWaalsContact OG-CD1 3.25Å; V197-W225 HydrophobicContact CG2-CH2 3.58Å; V197-W225 HydrophobicContact CG2-CZ2 4.45Å; V197-W225 HydrophobicContact CG2-CZ3 4.24Å; V211-W225 HydrophobicContact CB-CE3 4.34Å; V211-W225 HydrophobicContact CG2-CZ3 4.29Å; P213-W225 HydrophobicContact CB-CD2 4.15Å; P213-W225 HydrophobicContact CB-CE3 3.86Å; P213-W225 HydrophobicContact CB-CH2 3.95Å; P213-W225 HydrophobicContact CB-CZ2 4.17Å; P213-W225 HydrophobicContact CB-CZ3 3.77Å; P213-W225 HydrophobicContact CG-CE3 4.45Å; P213-W225 HydrophobicContact CG-CH2 4.24Å; P213-W225 HydrophobicContact CG-CZ3 3.97Å; S223-W225 PolarHBondContact OG-NE1 3.28Å; W225-Y236 HydrophobicContact CB-CD1 4.46Å; W225-Y236 PolarHBondContact N-O 3.15Å; W225-Y236 PolarHBondContact O-N 2.96Å
226I98.3Very high94.6Very high4 Ų417.2 Ų17.22%0.0218%0.08CC..EExtended strand (participates in β ladder)trans-95.5120169.1-53.4-58.2000108.1V211 T212 L214 Q228 K233 S235 L255V211-I226 CarbonylContact C-O 3.56Å; V211-I226 VanDerWaalsContact CA-O 3.25Å; V211-I226 WeakPolarHBondContact CA-O 3.47Å; T212-I226 PolarHBondContact N-O 3.47Å; T212-I226 PolarHBondContact O-N 3.28Å; L214-I226 HydrophobicContact CD1-CD1 3.88Å; L214-I226 HydrophobicContact CD1-CG1 3.4Å; L214-I226 VanDerWaalsContact CD1-CG1 3.4Å; L214-I226 HydrophobicContact CG-CG1 4.15Å; I226-Q228 VanDerWaalsContact CG2-CD 3.43Å; I226-Q228 HydrophobicContact CG2-CG 3.65Å; I226-K233 HydrophobicContact CG2-CG 4.4Å; I226-S235 VanDerWaalsContact CD1-OG 3.29Å; I226-S235 WeakPolarHBondContact CD1-OG 3.49Å; I226-L255 HydrophobicContact CD1-CD2 3.82Å
227I97.1Very high94.7Very high2 Ų217.2 Ų17.21%0.018%0.08CC..EExtended strand (participates in β ladder)trans-114.6107179.8-54.6160.1000107L17 I24 L26 L100 V209 V211 V234L17-I227 HydrophobicContact CD2-CD1 4.04Å; L17-I227 HydrophobicContact CD2-CG2 4.44Å; I24-I227 HydrophobicContact CD1-CG2 4.33Å; L26-I227 HydrophobicContact CD1-CD1 4.4Å; L26-I227 HydrophobicContact CD2-CD1 3.6Å; L100-I227 HydrophobicContact CD1-CD1 4.22Å; L100-I227 HydrophobicContact CD1-CG1 4.2Å; V209-I227 HydrophobicContact CB-CG2 4.18Å; V209-I227 HydrophobicContact CG1-CG2 4.4Å; V209-I227 HydrophobicContact CG2-CG2 4.17Å; V211-I227 HydrophobicContact CG1-CB 4.45Å; V211-I227 HydrophobicContact CG1-CG1 4.07Å; V211-I227 HydrophobicContact CG1-CG2 4.22Å; I227-V234 HydrophobicContact CB-CB 4.26Å; I227-V234 PolarHBondContact N-O 2.86Å; I227-V234 PolarHBondContact O-N 2.87Å
228Q93.3Very high94.5Very high56 Ų5617.3 Ų17.326%0.2628%0.08SC..EExtended strand (participates in β ladder)trans-119.1124.2-171.8-81.3169.5-15.300110.8V209 Q210 I226 E232 K233V209-Q228 CarbonylContact C-O 3.56Å; V209-Q228 WeakPolarHBondContact CA-O 3.36Å; Q210-Q228 PolarHBondContact N-O 3.3Å; Q210-Q228 PolarHBondContact O-N 3.42Å; I226-Q228 VanDerWaalsContact CG2-CD 3.43Å; I226-Q228 HydrophobicContact CG2-CG 3.65Å; Q228-E232 WeakPolarHBondContact CA-O 3.45Å; Q228-K233 HydrophobicContact CG-CB 4.02Å; Q228-K233 HydrophobicContact CG-CD 4.33Å; Q228-K233 HydrophobicContact CG-CG 3.72Å; Q228-K233 VanDerWaalsContact NE2-CD 3.31Å; Q228-K233 VanDerWaalsContact NE2-CE 3.28Å
229S88.8Confident94.4Very high24 Ų2416.4 Ų16.417%0.1688%0.077CC..  trans-86.6-169.2158.188.30000109Y231 E232S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-Y231 PolarHBondContact OG-N 3.22Å; S229-E232 WeakPolarHBondContact CB-OE2 3.39Å; S229-E232 PolarHBondContact N-O 3.46Å; S229-E232 WeakPolarHBondContact OG-CB 3.43Å; S229-E232 PolarHBondContact OG-N 3.08Å; S229-E232 PolarHBondContact OG-O 2.98Å; S229-E232 PolarHBondContact OG-OE2 2.93Å
230H82.7Confident94.5Very high107 Ų10716.3 Ų16.350%0.4958%0.077SC..SBendtrans-67.4-28.3172-68.485000114.1R515H230-R515 VanDerWaalsContact CD2-CD 3.46Å; H230-R515 WeakPolarHBondContact CD2-CD 3.46Å
231Y83.9Confident94.5Very high86 Ų8616.3 Ų16.334%0.3378%0.077SC..SBendtrans-129.6-12.4-171.6-63.9-76.4000114.1S229 R511 W513 R515S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-Y231 PolarHBondContact OG-N 3.22Å; Y231-R511 PolarHBondContact O-NH1 2.93Å; Y231-W513 WeakPolarHBondContact CD2-O 3.25Å; Y231-W513 HydrophobicContact CE1-CB 4.41Å; Y231-W513 HydrophobicContact CE2-CB 4.33Å; Y231-W513 WeakPolarHBondContact CE2-O 3.45Å; Y231-R515 HydrophobicContact CE2-CB 4.2Å
232E89.3Confident94.5Very high22 Ų2219.1 Ų19.110%0.1039%0.092CC..  trans-122.2136.5-178.6-63.183.4-154.100110.6Q228 S229 D259 F509Q228-E232 WeakPolarHBondContact CA-O 3.45Å; S229-E232 WeakPolarHBondContact CB-OE2 3.39Å; S229-E232 PolarHBondContact N-O 3.46Å; S229-E232 WeakPolarHBondContact OG-CB 3.43Å; S229-E232 PolarHBondContact OG-N 3.08Å; S229-E232 PolarHBondContact OG-O 2.98Å; S229-E232 PolarHBondContact OG-OE2 2.93Å; E232-D259 VanDerWaalsContact CA-OD2 3.32Å; E232-D259 WeakPolarHBondContact CA-OD2 3.39Å; E232-F509 HydrophobicContact CB-CD1 3.95Å; E232-F509 HydrophobicContact CB-CE1 3.68Å; E232-F509 HydrophobicContact CB-CZ 4.46Å; E232-F509 HydrophobicContact CG-CD1 3.34Å; E232-F509 HydrophobicContact CG-CE1 3.64Å; E232-F509 HydrophobicContact CG-CG 4.08Å
233K93.6Very high94.2Very high30 Ų3022.2 Ų22.213%0.1311%0.107CC..EExtended strand (participates in β ladder)trans-123.4116.8173.3178.8179-178.3178.90110.2I226 Q228 S254 K256 D259 V260I226-K233 HydrophobicContact CG2-CG 4.4Å; Q228-K233 HydrophobicContact CG-CB 4.02Å; Q228-K233 HydrophobicContact CG-CD 4.33Å; Q228-K233 HydrophobicContact CG-CG 3.72Å; Q228-K233 VanDerWaalsContact NE2-CD 3.31Å; Q228-K233 VanDerWaalsContact NE2-CE 3.28Å; K233-S254 VanDerWaalsContact CE-O 3.31Å; K233-S254 WeakPolarHBondContact CE-O 3.34Å; K233-S254 PolarHBondContact NZ-O 2.78Å; K233-K256 PolarHBondContact NZ-O 3.5Å; K233-D259 PolarHBondContact N-OD2 2.8Å; K233-D259 PolarHBondContact O-N 2.58Å; K233-V260 PolarHBondContact O-N 2.8Å
234V96.6Very high93.7Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-105.2125170.3-178.10000108.8M1 L17 I227 V260 I262 F509M1-V234 HydrophobicContact CE-CG2 4.02Å; M1-V234 HydrophobicContact SD-CG2 3.82Å; L17-V234 HydrophobicContact CD2-CG1 4.49Å; I227-V234 HydrophobicContact CB-CB 4.26Å; I227-V234 PolarHBondContact N-O 2.86Å; I227-V234 PolarHBondContact O-N 2.87Å; V234-V260 CarbonylContact C-O 3.54Å; V234-V260 WeakPolarHBondContact CA-O 3.36Å; V234-V260 HydrophobicContact CG2-CB 4.39Å; V234-I262 HydrophobicContact CG1-CD1 3.84Å; V234-I262 HydrophobicContact CG1-CG1 4.23Å; V234-F509 HydrophobicContact CG2-CE1 4.45Å; V234-F509 HydrophobicContact CG2-CZ 3.69Å
235S97.8Very high93.3Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-105.7119.1171.4-66.80000109.3I226 S258 V260 L261 I262I226-S235 VanDerWaalsContact CD1-OG 3.29Å; I226-S235 WeakPolarHBondContact CD1-OG 3.49Å; S235-S258 WeakPolarHBondContact CB-OG 3.44Å; S235-S258 PolarHBondContact OG-OG 3.08Å; S235-V260 PolarHBondContact N-O 2.82Å; S235-L261 CarbonylContact O-C 3.49Å; S235-L261 WeakPolarHBondContact O-CA 3.48Å; S235-I262 PolarHBondContact O-N 2.76Å
236Y98.1Very high93.1Very high0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-97.7107.8174.3-179.4-116.3000109.3P13 L26 D27 S102 N224 W225 I262 T264P13-Y236 WeakPolarHBondContact CG-OH 3.34Å; L26-Y236 HydrophobicContact CB-CD1 4.26Å; L26-Y236 HydrophobicContact CB-CD2 4.37Å; L26-Y236 HydrophobicContact CB-CE1 4.01Å; L26-Y236 HydrophobicContact CB-CE2 4.14Å; L26-Y236 HydrophobicContact CB-CG 4.44Å; L26-Y236 HydrophobicContact CD1-CD2 3.76Å; L26-Y236 HydrophobicContact CD1-CE2 4.2Å; L26-Y236 HydrophobicContact CD1-CG 3.96Å; D27-Y236 WeakPolarHBondContact OD2-CE1 3.39Å; D27-Y236 VanDerWaalsContact OD2-CZ 3.29Å; D27-Y236 PolarHBondContact OD2-OH 2.84Å; S102-Y236 WeakPolarHBondContact OG-CE1 3.32Å; N224-Y236 CarbonylContact C-O 3.35Å; N224-Y236 WeakPolarHBondContact CA-O 3.4Å; N224-Y236 WeakPolarHBondContact CB-O 3.49Å; W225-Y236 HydrophobicContact CB-CD1 4.46Å; W225-Y236 PolarHBondContact N-O 3.15Å; W225-Y236 PolarHBondContact O-N 2.96Å; Y236-I262 HydrophobicContact CD2-CB 3.92Å; Y236-I262 HydrophobicContact CD2-CG2 3.73Å; Y236-I262 HydrophobicContact CE2-CG2 3.95Å; Y236-T264 HydrophobicContact CE2-CG2 4.14Å; Y236-T264 PolarHBondContact OH-OG1 3.45Å
237V97.8Very high93Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-100.1105.8177.4-179.10000107.7N224 S240 L255 L261 I262 L263 T264N224-V237 WeakPolarHBondContact OD1-CA 3.34Å; V237-S240 WeakPolarHBondContact CG1-OG 3.48Å; V237-L255 HydrophobicContact CG2-CD1 4.21Å; V237-L255 HydrophobicContact CG2-CD2 3.98Å; V237-L261 HydrophobicContact CB-CD2 4.42Å; V237-L261 HydrophobicContact CG2-CD1 4.16Å; V237-L261 HydrophobicContact CG2-CD2 4.04Å; V237-L261 HydrophobicContact CG2-CG 4.05Å; V237-I262 PolarHBondContact N-O 3.22Å; V237-L263 HydrophobicContact CB-CD1 3.97Å; V237-L263 HydrophobicContact CG1-CD1 3.73Å; V237-T264 PolarHBondContact O-N 3.14Å; V237-T264 PolarHBondContact O-OG1 3.26Å
238S93.2Very high93Very high3 Ų333.5 Ų33.52%0.02117%0.172CC..  trans-90.1-164.8174.4-169.20000109.7D27 S102 N224 S240 T264D27-S238 PolarHBondContact OD2-OG 3.31Å; S102-S238 WeakPolarHBondContact CB-OG 3.11Å; S102-S238 VanDerWaalsContact OG-CB 3.27Å; S102-S238 WeakPolarHBondContact OG-CB 3.5Å; N224-S238 PolarHBondContact OD1-N 2.83Å; S238-S240 WeakPolarHBondContact O-CB 3.38Å; S238-S240 PolarHBondContact O-N 3.12Å; S238-S240 PolarHBondContact O-OG 2.9Å; S238-T264 CarbonylContact C-O 3.59Å; S238-T264 WeakPolarHBondContact CA-OG1 3.34Å
239G93.3Very high93.1Very high3 Ų334.8 Ų34.83%0.03119%0.185CC..SBendtrans-48.9107175.500000111.2S216 Y218S216-G239 PolarHBondContact OG-O 2.85Å; S216-G239 VanDerWaalsContact OG-O 3.11Å; Y218-G239 WeakPolarHBondContact CB-O 3.4Å; Y218-G239 WeakPolarHBondContact CD1-O 3.44Å
240S96.9Very high93.5Very high1 Ų134.3 Ų34.31%0.00718%0.181CC..  trans-128158.2-171.2-64.10000110.6S216 N224 V237 S238 R451 L452S216-S240 WeakPolarHBondContact O-CA 3.1Å; S216-S240 WeakPolarHBondContact O-CB 3.34Å; N224-S240 PolarHBondContact ND2-OG 3.16Å; N224-S240 PolarHBondContact OD1-OG 2.81Å; N224-S240 VanDerWaalsContact OD1-OG 3.06Å; V237-S240 WeakPolarHBondContact CG1-OG 3.48Å; S238-S240 WeakPolarHBondContact O-CB 3.38Å; S238-S240 PolarHBondContact O-N 3.12Å; S238-S240 PolarHBondContact O-OG 2.9Å; S240-R451 CarbonylContact O-C 3.53Å; S240-R451 VanDerWaalsContact O-CA 3.27Å; S240-R451 WeakPolarHBondContact O-CA 3.36Å; S240-L452 WeakPolarHBondContact O-CG 3.41Å; S240-L452 PolarHBondContact O-N 3.46Å
241S96.3Very high94.1Very high1 Ų131.2 Ų31.21%0.00717%0.168CC..  trans-138.6146.2174.5-167.80000112.2S216 G217 L243 T450S216-S241 PolarHBondContact O-N 3.19Å; G217-S241 WeakPolarHBondContact O-CB 3.11Å; S241-L243 PolarHBondContact OG-N 3.18Å; S241-L243 VanDerWaalsContact OG-N 3.1Å; S241-T450 WeakPolarHBondContact CB-O 3.45Å; S241-T450 PolarHBondContact OG-O 3.15Å
242L94.4Very high94.7Very high59 Ų5930 Ų3031%0.30917%0.166SC..  trans-103.1-1.9168.3-71.3176.3000112.3M250 Q252 L452 Q456L242-M250 HydrophobicContact CD2-CE 3.54Å; L242-M250 HydrophobicContact CG-CE 4.27Å; L242-Q252 HydrophobicContact CD2-CG 4.37Å; L242-L452 HydrophobicContact CB-CD2 4.1Å; L242-L452 HydrophobicContact CD1-CD2 3.98Å; L242-L452 HydrophobicContact CG-CD2 3.61Å; L242-Q456 HydrophobicContact CD1-CB 4.35Å
243L91.9Very high94.9Very high65 Ų6532.7 Ų32.734%0.3419%0.187SC..SBendtrans-77.3146.7177.9-59.7178.4000110.1S241 T245 P274 T450S241-L243 PolarHBondContact OG-N 3.18Å; S241-L243 VanDerWaalsContact OG-N 3.1Å; L243-T245 HydrophobicContact CB-CG2 4.36Å; L243-T245 PolarHBondContact O-N 3.22Å; L243-T245 VanDerWaalsContact O-N 3.1Å; L243-P274 HydrophobicContact CD1-CG 4.08Å; L243-T450 HydrophobicContact CD1-CG2 4.35Å
244T87.2Confident94.9Very high143 Ų14333.2 Ų33.288%0.87719%0.194SC*.  trans-84.482.5177.854.20000110.3
245T90.1Very high94.9Very high28 Ų2833.2 Ų33.217%0.17219%0.194CC..  trans-102.8-158.6175.152.50000110.4L243 P247 T450L243-T245 HydrophobicContact CB-CG2 4.36Å; L243-T245 PolarHBondContact O-N 3.22Å; L243-T245 VanDerWaalsContact O-N 3.1Å; T245-P247 VanDerWaalsContact C-CD 3.44Å; T245-P247 WeakPolarHBondContact OG1-CD 3.41Å; T245-T450 HydrophobicContact CG2-CG2 4.15Å
246H94Very high94.7Very high3 Ų338.3 Ų38.31%0.01422%0.216CC..SBendtrans-68-34.9-179.768.3-87.8000118.3Y306 D307 L347 C348 K351 F362H246-Y306 AromaticContact NE2-CD2 3.98Å; H246-D307 IonicContact CE1-OD2 3.65Å; H246-D307 PolarHBondContact CE1-OD2 3.07Å; H246-D307 VanDerWaalsContact CE1-OD2 3.3Å; H246-D307 IonicContact CG-OD1 2.66Å; H246-D307 PolarHBondContact N-OD1 3.5Å; H246-D307 IonicContact ND1-OD1 3.47Å; H246-D307 PolarHBondContact ND1-OD1 2.86Å; H246-D307 IonicContact ND1-OD2 2.67Å; H246-D307 PolarHBondContact ND1-OD2 2.8Å; H246-L347 HydrophobicContact CB-CD2 4.41Å; H246-L347 CarbonylContact O-C 3.58Å; H246-L347 WeakPolarHBondContact O-CA 3.38Å; H246-L347 WeakPolarHBondContact O-CB 3.33Å; H246-L347 WeakPolarHBondContact O-CD2 3.49Å; H246-C348 PolarHBondContact O-N 3.16Å; H246-K351 HydrophobicContact CB-CD 3.95Å; H246-F362 HydrophobicContact CB-CE1 3.5Å; H246-F362 VanDerWaalsContact CB-CE1 3.5Å; H246-F362 HydrophobicContact CB-CZ 3.57Å; H246-F362 AromaticContact CD2-CZ 3.94Å; H246-F362 AromaticContact CG-CE1 3.96Å; H246-F362 AromaticContact CG-CZ 3.9Å
247P96.4Very high94.4Very high4 Ų445 Ų453%0.02625%0.252CS..BIsolated β-bridgetrans-76.2164.8-17533.4-34.5000112.4G217 T245G217-P247 VanDerWaalsContact O-CG 3.23Å; G217-P247 WeakPolarHBondContact O-CG 3.35Å; T245-P247 VanDerWaalsContact C-CD 3.44Å; T245-P247 WeakPolarHBondContact OG1-CD 3.41Å
248Q96.6Very high94.2Very high69 Ų6945 Ų4532%0.32225%0.252SS..PPolyproline II helixtrans-55.5131.6171.9-179.1177-21.100110.7S215 G217 W346S215-Q248 PolarHBondContact OG-O 3.29Å; G217-Q248 VanDerWaalsContact CA-O 3.3Å; G217-Q248 WeakPolarHBondContact CA-O 3.43Å; Q248-W346 WeakPolarHBondContact CB-O 3.41Å; Q248-W346 PolarHBondContact N-O 3.18Å
249P96.8Very high94.2Very high82 Ų8246 Ų4653%0.53226%0.257SS..PPolyproline II helixtrans-55.9153.9-179.5-26.634.5000114S215 D251S215-P249 WeakPolarHBondContact CB-O 3.5Å; P249-D251 PolarHBondContact O-N 3.11Å
250M96.8Very high94.3Very high15 Ų1545.8 Ų45.87%0.07426%0.255CS..PPolyproline II helixtrans-62.7132.2-179.9-171.1174.881.200112.6S215 S216 L242 Q252 L460S215-M250 WeakPolarHBondContact O-CA 3.43Å; S216-M250 WeakPolarHBondContact O-CB 3.1Å; L242-M250 HydrophobicContact CD2-CE 3.54Å; L242-M250 HydrophobicContact CG-CE 4.27Å; M250-Q252 HydrophobicContact CE-CG 3.43Å; M250-Q252 VanDerWaalsContact CE-CG 3.43Å; M250-Q252 PolarHBondContact O-N 3.06Å; M250-L460 HydrophobicContact CE-CD1 3.67Å; M250-L460 HydrophobicContact CE-CD2 3.75Å; M250-L460 HydrophobicContact CE-CG 4.37Å
251D95.7Very high94.4Very high42 Ų4245.8 Ų45.823%0.22526%0.255CS..  trans-82.3103.2170.9179.710.2000111.2L214 S215 P249 S253 S254L214-D251 HydrophobicContact CB-CB 4.35Å; S215-D251 PolarHBondContact O-N 3.4Å; S215-D251 VanDerWaalsContact O-N 3.11Å; P249-D251 PolarHBondContact O-N 3.11Å; D251-S253 PolarHBondContact OD1-N 3.07Å; D251-S253 PolarHBondContact OD1-OG 2.86Å; D251-S254 PolarHBondContact OD1-N 3.24Å; D251-S254 VanDerWaalsContact OD2-CB 3.32Å; D251-S254 WeakPolarHBondContact OD2-CB 3.39Å; D251-S254 PolarHBondContact OD2-OG 3.22Å
252Q94.9Very high94.4Very high61 Ų6145.8 Ų45.829%0.28526%0.255SS..  trans-85.7-26178.6-65.5176.669.600113.1L242 M250 S254 L255 L460L242-Q252 HydrophobicContact CD2-CG 4.37Å; M250-Q252 HydrophobicContact CE-CG 3.43Å; M250-Q252 VanDerWaalsContact CE-CG 3.43Å; M250-Q252 PolarHBondContact O-N 3.06Å; Q252-S254 VanDerWaalsContact C-N 3.34Å; Q252-S254 PolarHBondContact O-N 2.85Å; Q252-L255 WeakPolarHBondContact O-CB 3.43Å; Q252-L255 PolarHBondContact O-N 2.9Å; Q252-L460 HydrophobicContact CB-CD1 4.41Å; Q252-L460 HydrophobicContact CG-CD1 3.84Å
253S94.6Very high94.5Very high78 Ų7843 Ų4355%0.54524%0.241SC..G310 helixtrans-67-40.5-170.369.20000111.4D251 L255 K256D251-S253 PolarHBondContact OD1-N 3.07Å; D251-S253 PolarHBondContact OD1-OG 2.86Å; S253-L255 PolarHBondContact O-N 3.27Å; S253-K256 WeakPolarHBondContact O-CB 3.42Å; S253-K256 WeakPolarHBondContact O-CG 3.39Å; S253-K256 PolarHBondContact O-N 2.92Å
254S94.4Very high94.7Very high40 Ų4040 Ų4028%0.2823%0.225SC..G310 helixtrans-71.7-13.1179-630000113.7K233 D251 Q252K233-S254 VanDerWaalsContact CE-O 3.31Å; K233-S254 WeakPolarHBondContact CE-O 3.34Å; K233-S254 PolarHBondContact NZ-O 2.78Å; D251-S254 PolarHBondContact OD1-N 3.24Å; D251-S254 VanDerWaalsContact OD2-CB 3.32Å; D251-S254 WeakPolarHBondContact OD2-CB 3.39Å; D251-S254 PolarHBondContact OD2-OG 3.22Å; Q252-S254 VanDerWaalsContact C-N 3.34Å; Q252-S254 PolarHBondContact O-N 2.85Å
255L95.4Very high95.1Very high0 Ų033.2 Ų33.20%018%0.183CC..G310 helixtrans-79.8-20.1175.3-60.6174.6000112.6I226 V237 Q252 S253 S258 V464I226-L255 HydrophobicContact CD1-CD2 3.82Å; V237-L255 HydrophobicContact CG2-CD1 4.21Å; V237-L255 HydrophobicContact CG2-CD2 3.98Å; Q252-L255 WeakPolarHBondContact O-CB 3.43Å; Q252-L255 PolarHBondContact O-N 2.9Å; S253-L255 PolarHBondContact O-N 3.27Å; L255-S258 PolarHBondContact O-OG 3.32Å; L255-V464 HydrophobicContact CB-CG1 3.77Å; L255-V464 HydrophobicContact CB-CG2 3.9Å; L255-V464 HydrophobicContact CD1-CG2 4.45Å; L255-V464 WeakPolarHBondContact O-CG1 3.44Å
256K94.4Very high95.3Very high107 Ų10732 Ų3247%0.46518%0.176SC..THydrogen-bonded Turntrans-58.1151.3-178.3-66.8-177176.6-176.40112.2K233 S253 S258K233-K256 PolarHBondContact NZ-O 3.5Å; S253-K256 WeakPolarHBondContact O-CB 3.42Å; S253-K256 WeakPolarHBondContact O-CG 3.39Å; S253-K256 PolarHBondContact O-N 2.92Å; K256-S258 VanDerWaalsContact C-N 3.26Å; K256-S258 PolarHBondContact O-N 3.45Å
257N90.4Very high95.2Very high141 Ų14132.4 Ų32.475%0.75418%0.178SC*.THydrogen-bonded Turntrans59.433.1178.8-49-37.2000113.5
258S94.3Very high94.7Very high1 Ų135.1 Ų35.11%0.00719%0.191CC..  trans-78.7131.6173.9-640000110.6S235 L255 K256 P466 L467S235-S258 WeakPolarHBondContact CB-OG 3.44Å; S235-S258 PolarHBondContact OG-OG 3.08Å; L255-S258 PolarHBondContact O-OG 3.32Å; K256-S258 VanDerWaalsContact C-N 3.26Å; K256-S258 PolarHBondContact O-N 3.45Å; S258-P466 WeakPolarHBondContact O-CA 3.27Å; S258-L467 PolarHBondContact O-N 3.26Å
259D94.2Very high94.3Very high22 Ų2234.4 Ų34.412%0.11819%0.188CC..SBendtrans-70.6-39.5174-61.5-70000110.4E232 K233 L467 H468 F509 R511E232-D259 VanDerWaalsContact CA-OD2 3.32Å; E232-D259 WeakPolarHBondContact CA-OD2 3.39Å; K233-D259 PolarHBondContact N-OD2 2.8Å; K233-D259 PolarHBondContact O-N 2.58Å; D259-L467 VanDerWaalsContact O-CB 3.31Å; D259-L467 WeakPolarHBondContact O-CB 3.38Å; D259-H468 PolarHBondContact O-N 3.49Å; D259-H468 VanDerWaalsContact O-N 3.12Å; D259-F509 HydrophobicContact CB-CD1 4.46Å; D259-F509 HydrophobicContact CB-CE1 3.95Å; D259-R511 IonicContact OD1-NH1 3.84Å
260V95.6Very high93.6Very high0 Ų032.3 Ų32.30%017%0.174CC..EExtended strand (participates in β ladder)trans-134.1130.8173.8-178.90000109.2K233 V234 S235 I262 H468 V470 L507 F509K233-V260 PolarHBondContact O-N 2.8Å; V234-V260 CarbonylContact C-O 3.54Å; V234-V260 WeakPolarHBondContact CA-O 3.36Å; V234-V260 HydrophobicContact CG2-CB 4.39Å; S235-V260 PolarHBondContact N-O 2.82Å; V260-I262 HydrophobicContact CG1-CG1 4.11Å; V260-H468 CarbonylContact C-O 3.5Å; V260-H468 WeakPolarHBondContact CA-O 3.46Å; V260-H468 HydrophobicContact CG2-CB 4.41Å; V260-V470 HydrophobicContact CG1-CB 4.47Å; V260-V470 HydrophobicContact CG1-CG2 3.66Å; V260-L507 HydrophobicContact CG1-CD1 4.43Å; V260-L507 HydrophobicContact CG1-CD2 4.18Å; V260-F509 HydrophobicContact CB-CZ 4.36Å; V260-F509 HydrophobicContact CG2-CE1 3.95Å; V260-F509 HydrophobicContact CG2-CE2 4.17Å; V260-F509 HydrophobicContact CG2-CZ 3.61Å
261L97.3Very high93.1Very high1 Ų135.4 Ų35.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-111114.7168.5-170.8153.1000108.8S235 V237 L263 L461 V464 P466 H468 V469 V470S235-L261 CarbonylContact O-C 3.49Å; S235-L261 WeakPolarHBondContact O-CA 3.48Å; V237-L261 HydrophobicContact CB-CD2 4.42Å; V237-L261 HydrophobicContact CG2-CD1 4.16Å; V237-L261 HydrophobicContact CG2-CD2 4.04Å; V237-L261 HydrophobicContact CG2-CG 4.05Å; L261-L263 HydrophobicContact CD2-CB 3.88Å; L261-L461 HydrophobicContact CD1-CD2 3.97Å; L261-L461 HydrophobicContact CD2-CD2 4.13Å; L261-V464 HydrophobicContact CD1-CG1 4.1Å; L261-P466 HydrophobicContact CB-CB 3.78Å; L261-P466 HydrophobicContact CB-CG 4.05Å; L261-P466 HydrophobicContact CD1-CB 4.43Å; L261-P466 HydrophobicContact CD1-CG 4.26Å; L261-H468 PolarHBondContact N-O 3.43Å; L261-V469 CarbonylContact O-C 3.1Å; L261-V469 WeakPolarHBondContact O-CA 3.15Å; L261-V470 PolarHBondContact O-N 2.83Å
262I97.3Very high92.9Very high0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-92.8118.9174.2-58.3171.5000107.2L3 L26 V234 S235 Y236 V237 V260 V470L3-I262 HydrophobicContact CD1-CD1 3.97Å; L3-I262 HydrophobicContact CD2-CD1 4.29Å; L26-I262 HydrophobicContact CD1-CD1 4.11Å; V234-I262 HydrophobicContact CG1-CD1 3.84Å; V234-I262 HydrophobicContact CG1-CG1 4.23Å; S235-I262 PolarHBondContact O-N 2.76Å; Y236-I262 HydrophobicContact CD2-CB 3.92Å; Y236-I262 HydrophobicContact CD2-CG2 3.73Å; Y236-I262 HydrophobicContact CE2-CG2 3.95Å; V237-I262 PolarHBondContact N-O 3.22Å; V260-I262 HydrophobicContact CG1-CG1 4.11Å; I262-V470 CarbonylContact C-O 3.53Å; I262-V470 WeakPolarHBondContact CA-O 3.2Å; I262-V470 HydrophobicContact CG1-CB 4.19Å
263L96.9Very high92.7Very high2 Ų236.2 Ų36.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-112.4124-175.5-17867.7000110.9V237 L261 L266 V457 V470 C471 P472 L490V237-L263 HydrophobicContact CB-CD1 3.97Å; V237-L263 HydrophobicContact CG1-CD1 3.73Å; L261-L263 HydrophobicContact CD2-CB 3.88Å; L263-L266 HydrophobicContact CD1-CD2 4.07Å; L263-L266 HydrophobicContact CD2-CD1 4.25Å; L263-L266 HydrophobicContact CD2-CD2 4.19Å; L263-L266 HydrophobicContact CG-CD2 4.17Å; L263-V457 HydrophobicContact CD2-CG1 3.48Å; L263-V457 VanDerWaalsContact CD2-CG1 3.48Å; L263-V457 HydrophobicContact CD2-CG2 4.23Å; L263-V470 PolarHBondContact N-O 3.1Å; L263-C471 HydrophobicContact CB-CB 4.43Å; L263-P472 WeakPolarHBondContact O-CD 3.2Å; L263-L490 HydrophobicContact CD2-CD1 3.82Å
264T96.1Very high92.6Very high1 Ų133.4 Ų33.41%0.00618%0.184CC..  trans-135.9174.5174.558.40000110.2P13 Y236 V237 S238 L266 P472 Y499P13-T264 HydrophobicContact CB-CG2 3.89Å; P13-T264 HydrophobicContact CG-CG2 4.08Å; Y236-T264 HydrophobicContact CE2-CG2 4.14Å; Y236-T264 PolarHBondContact OH-OG1 3.45Å; V237-T264 PolarHBondContact O-N 3.14Å; V237-T264 PolarHBondContact O-OG1 3.26Å; S238-T264 CarbonylContact C-O 3.59Å; S238-T264 WeakPolarHBondContact CA-OG1 3.34Å; T264-L266 PolarHBondContact O-N 2.93Å; T264-P472 HydrophobicContact CG2-CG 4.48Å; T264-Y499 WeakPolarHBondContact CG2-OH 3.37Å
265G94.4Very high92.5Very high1 Ų137.4 Ų37.41%0.0120%0.202CC..  trans70.634.2168.100000115.6P10 R451 Y475P10-G265 PolarHBondContact O-N 3.31Å; G265-R451 VanDerWaalsContact O-CD 3.31Å; G265-R451 WeakPolarHBondContact O-CD 3.37Å; G265-Y475 PolarHBondContact N-OH 3.15Å
266L95Very high92.4Very high2 Ų239 Ų391%0.0122%0.218CC..  trans-74.6161.7170.6-55.8-171.6000112T11 L263 T264 L452 F454 V457 Y475 L490T11-L266 WeakPolarHBondContact CG2-O 3.29Å; L263-L266 HydrophobicContact CD1-CD2 4.07Å; L263-L266 HydrophobicContact CD2-CD1 4.25Å; L263-L266 HydrophobicContact CD2-CD2 4.19Å; L263-L266 HydrophobicContact CG-CD2 4.17Å; T264-L266 PolarHBondContact O-N 2.93Å; L266-L452 HydrophobicContact CD2-CB 4.05Å; L266-F454 HydrophobicContact CD1-CD1 4.12Å; L266-F454 HydrophobicContact CD1-CE1 3.9Å; L266-V457 HydrophobicContact CD1-CG2 4.13Å; L266-V457 HydrophobicContact CD2-CG2 3.41Å; L266-V457 VanDerWaalsContact CD2-CG2 3.41Å; L266-V457 HydrophobicContact CG-CG2 4.42Å; L266-Y475 HydrophobicContact CB-CE1 3.96Å; L266-Y475 HydrophobicContact CB-CE2 4.11Å; L266-Y475 HydrophobicContact CD1-CD1 4.19Å; L266-Y475 HydrophobicContact CD1-CD2 3.69Å; L266-Y475 HydrophobicContact CD1-CE1 4.22Å; L266-Y475 HydrophobicContact CD1-CE2 3.75Å; L266-Y475 HydrophobicContact CD1-CG 3.93Å; L266-Y475 HydrophobicContact CG-CD2 4.07Å; L266-Y475 HydrophobicContact CG-CE1 4.24Å; L266-Y475 HydrophobicContact CG-CE2 3.58Å; L266-Y475 PolarHBondContact N-OH 2.99Å; L266-L490 HydrophobicContact CD1-CD1 4.35Å
267T92.7Very high92.5Very high11 Ų1135.7 Ų35.77%0.06721%0.205CC..  trans-59.9141.1177.8-177.20000112.4M269 P270 D449 L452 N453T267-M269 PolarHBondContact OG1-N 3.31Å; T267-M269 VanDerWaalsContact OG1-N 3.13Å; T267-P270 HydrophobicContact CG2-CB 3.94Å; T267-D449 WeakPolarHBondContact CA-OD2 3.34Å; T267-D449 VanDerWaalsContact CB-OD2 3.29Å; T267-D449 WeakPolarHBondContact CB-OD2 3.46Å; T267-D449 PolarHBondContact OG1-OD2 3.11Å; T267-L452 PolarHBondContact N-O 2.79Å; T267-N453 HydrophobicContact CG2-CB 3.77Å
268Q85.1Confident92.7Very high61 Ų6130.4 Ų30.429%0.28518%0.176SC..SBendtrans-85.9-15.6173.5-62.2-178.1-10.400112.4H9 T11 P270 P425 D449H9-Q268 PolarHBondContact CE1-NE2 3.4Å; T11-Q268 HydrophobicContact CG2-CG 4.01Å; T11-Q268 PolarHBondContact OG1-NE2 2.84Å; Q268-P270 VanDerWaalsContact C-CD 3.43Å; Q268-P270 WeakPolarHBondContact O-CD 3.42Å; Q268-P425 HydrophobicContact CB-CB 4.39Å; Q268-P425 PolarHBondContact OE1-O 2.86Å; Q268-P425 VanDerWaalsContact OE1-O 3.09Å; Q268-D449 PolarHBondContact N-OD2 2.73Å
269M87.2Confident92.6Very high54 Ų5432.3 Ų32.327%0.26620%0.196SC..  trans-124.263.5-176.4-67.3-58.3-61.600111.6T267 T271 A272 P425 Y445 P447T267-M269 PolarHBondContact OG1-N 3.31Å; T267-M269 VanDerWaalsContact OG1-N 3.13Å; M269-T271 PolarHBondContact O-N 3.14Å; M269-A272 HydrophobicContact CB-CB 3.99Å; M269-A272 WeakPolarHBondContact O-CB 3.31Å; M269-A272 PolarHBondContact O-N 2.89Å; M269-P425 HydrophobicContact CG-CB 4.1Å; M269-Y445 HydrophobicContact CE-CE1 3.94Å; M269-Y445 HydrophobicContact SD-CE1 4.43Å; M269-P447 HydrophobicContact CB-CB 4.42Å; M269-P447 HydrophobicContact CB-CG 4.33Å; M269-P447 HydrophobicContact CE-CG 4.15Å; M269-P447 HydrophobicContact CG-CB 3.97Å; M269-P447 HydrophobicContact CG-CG 4.03Å
270P84.1Confident92.7Very high38 Ų3835 Ų3525%0.24721%0.211CC..THydrogen-bonded Turntrans-65.1-17.9-171.227.7-37.2000114.7T267 Q268 F454 L488T267-P270 HydrophobicContact CG2-CB 3.94Å; Q268-P270 VanDerWaalsContact C-CD 3.43Å; Q268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-F454 HydrophobicContact CB-CD2 4.17Å; P270-F454 HydrophobicContact CB-CE2 4.4Å; P270-F454 HydrophobicContact CG-CE2 4.33Å; P270-L488 HydrophobicContact CB-CD2 3.67Å; P270-L488 HydrophobicContact CG-CD1 4.18Å; P270-L488 HydrophobicContact CG-CD2 3.48Å; P270-L488 VanDerWaalsContact CG-CD2 3.48Å; P270-L488 HydrophobicContact CG-CG 4.3Å
271T86.3Confident92.8Very high81 Ų8135 Ų3550%0.49721%0.211SC..THydrogen-bonded Turntrans-87.4-14.6176.156.70000113.4M269 L488M269-T271 PolarHBondContact O-N 3.14Å; T271-L488 HydrophobicContact CG2-CD1 4.32Å; T271-L488 HydrophobicContact CG2-CD2 4.45Å
272A89.8Confident92.7Very high22 Ų2235.2 Ų35.218%0.18221%0.212CC..  trans-87.1119.7-179.800000109.2M269 P274 M277 P447M269-A272 HydrophobicContact CB-CB 3.99Å; M269-A272 WeakPolarHBondContact O-CB 3.31Å; M269-A272 PolarHBondContact O-N 2.89Å; A272-P274 WeakPolarHBondContact O-CD 3.1Å; A272-M277 HydrophobicContact CB-CG 3.98Å; A272-M277 HydrophobicContact CB-SD 4.26Å; A272-P447 HydrophobicContact CB-CG 4.03Å
273N92.1Very high92.6Very high98 Ų9837.6 Ų37.652%0.52423%0.229SC..  trans-83.4120.2171.7179.8-11.5000109D275 G276 M277N273-D275 VanDerWaalsContact C-N 3.3Å; N273-D275 PolarHBondContact O-N 3.5Å; N273-D275 PolarHBondContact OD1-N 2.86Å; N273-D275 VanDerWaalsContact OD1-N 3.14Å; N273-G276 PolarHBondContact O-N 2.87Å; N273-G276 VanDerWaalsContact O-N 3.11Å; N273-M277 WeakPolarHBondContact O-CG 3.49Å; N273-M277 PolarHBondContact O-N 3.2Å
274P92.2Very high92.6Very high19 Ų1939.9 Ų39.912%0.12324%0.241CC..Hα-helixtrans-51.8-43-179.5-29.937.7000114.4L243 A272 G276 M277 L278 D449L243-P274 HydrophobicContact CD1-CG 4.08Å; A272-P274 WeakPolarHBondContact O-CD 3.1Å; P274-G276 PolarHBondContact O-N 3.39Å; P274-M277 PolarHBondContact O-N 2.92Å; P274-L278 WeakPolarHBondContact O-CB 3.33Å; P274-L278 WeakPolarHBondContact O-CG 3.46Å; P274-L278 PolarHBondContact O-N 2.94Å; P274-D449 WeakPolarHBondContact CG-O 3.49Å
275D91.9Very high92.6Very high124 Ų12439.8 Ų39.866%0.66324%0.241SC*.Hα-helixtrans-66.5-40.3-179.1-67.9-18000111.7N273 L278 G279N273-D275 VanDerWaalsContact C-N 3.3Å; N273-D275 PolarHBondContact O-N 3.5Å; N273-D275 PolarHBondContact OD1-N 2.86Å; N273-D275 VanDerWaalsContact OD1-N 3.14Å; D275-L278 PolarHBondContact O-N 3.41Å; D275-G279 PolarHBondContact O-N 2.88Å
276G94.1Very high92.7Very high33 Ų3339.9 Ų39.934%0.3424%0.241SC..Hα-helixtrans-65.5-44.2175.700000111.7N273 P274 L278 G279 D280N273-G276 PolarHBondContact O-N 2.87Å; N273-G276 VanDerWaalsContact O-N 3.11Å; P274-G276 PolarHBondContact O-N 3.39Å; G276-L278 VanDerWaalsContact C-N 3.33Å; G276-L278 PolarHBondContact O-N 3.44Å; G276-G279 WeakPolarHBondContact O-CA 3.17Å; G276-G279 PolarHBondContact O-N 3.14Å; G276-G279 VanDerWaalsContact O-N 3.13Å; G276-D280 PolarHBondContact O-N 2.97Å
277M95.4Very high92.7Very high38 Ų3845.3 Ų45.319%0.18727%0.268CS..Hα-helixtrans-65.1-35.6177.7-63.7-62.296.100112.2A272 N273 P274 D280 F281 C446 P447A272-M277 HydrophobicContact CB-CG 3.98Å; A272-M277 HydrophobicContact CB-SD 4.26Å; N273-M277 WeakPolarHBondContact O-CG 3.49Å; N273-M277 PolarHBondContact O-N 3.2Å; P274-M277 PolarHBondContact O-N 2.92Å; M277-D280 WeakPolarHBondContact CE-OD2 3.39Å; M277-D280 PolarHBondContact O-N 2.91Å; M277-F281 WeakPolarHBondContact O-CB 3.25Å; M277-F281 PolarHBondContact O-N 2.95Å; M277-C446 HydrophobicContact CB-CB 4.44Å; M277-P447 WeakPolarHBondContact CG-O 3.46Å
278L94.1Very high92.9Very high29 Ų2945.1 Ų45.115%0.15227%0.267CS..Hα-helixtrans-63.7-41.4170.8-81.2168.9000111.9P274 D275 G276 F281 C282 L308 C311 I448P274-L278 WeakPolarHBondContact O-CB 3.33Å; P274-L278 WeakPolarHBondContact O-CG 3.46Å; P274-L278 PolarHBondContact O-N 2.94Å; D275-L278 PolarHBondContact O-N 3.41Å; G276-L278 VanDerWaalsContact C-N 3.33Å; G276-L278 PolarHBondContact O-N 3.44Å; L278-F281 WeakPolarHBondContact O-CB 3.19Å; L278-F281 PolarHBondContact O-N 3.05Å; L278-C282 PolarHBondContact O-N 2.83Å; L278-C282 PolarHBondContact O-SG 2.86Å; L278-L308 HydrophobicContact CD2-CD1 3.63Å; L278-C311 HydrophobicContact CD2-CB 4.49Å; L278-I448 HydrophobicContact CD2-CD1 3.52Å; L278-I448 HydrophobicContact CD2-CG1 4.35Å; L278-I448 HydrophobicContact CG-CD1 4.05Å; L278-I448 HydrophobicContact CG-CG1 4.35Å
279G94.1Very high93.4Very high41 Ų4142.8 Ų42.842%0.42326%0.256SS..Hα-helixtrans-60.3-46.8173.500000112.5D275 G276 C282 S283D275-G279 PolarHBondContact O-N 2.88Å; G276-G279 WeakPolarHBondContact O-CA 3.17Å; G276-G279 PolarHBondContact O-N 3.14Å; G276-G279 VanDerWaalsContact O-N 3.13Å; G279-C282 PolarHBondContact O-N 2.7Å; G279-S283 VanDerWaalsContact O-CB 3.31Å; G279-S283 WeakPolarHBondContact O-CB 3.23Å; G279-S283 PolarHBondContact O-N 2.84Å
280D95.4Very high93.8Very high79 Ų7948 Ų4842%0.42227%0.273SS..Hα-helixtrans-63.1-40.8176.5-73.1-23.5000111.8G276 M277 S283 N284G276-D280 PolarHBondContact O-N 2.97Å; M277-D280 WeakPolarHBondContact CE-OD2 3.39Å; M277-D280 PolarHBondContact O-N 2.91Å; D280-S283 PolarHBondContact O-N 3.03Å; D280-N284 WeakPolarHBondContact O-CB 3.39Å; D280-N284 PolarHBondContact O-N 2.67Å; D280-N284 PolarHBondContact O-ND2 3.11Å
281F96.8Very high94.3Very high0 Ų049.1 Ų49.10%029%0.285CS..Hα-helixtrans-56.8-54.2173.8170.2-88.8000111.2M277 L278 S283 N284 L285 V297 L308 L312 F394 I421 T423 C446M277-F281 WeakPolarHBondContact O-CB 3.25Å; M277-F281 PolarHBondContact O-N 2.95Å; L278-F281 WeakPolarHBondContact O-CB 3.19Å; L278-F281 PolarHBondContact O-N 3.05Å; F281-S283 VanDerWaalsContact C-N 3.33Å; F281-S283 PolarHBondContact O-N 2.85Å; F281-N284 PolarHBondContact O-N 2.86Å; F281-L285 HydrophobicContact CE1-CD1 3.84Å; F281-L285 HydrophobicContact CZ-CD1 3.83Å; F281-L285 VanDerWaalsContact O-CB 3.26Å; F281-L285 WeakPolarHBondContact O-CB 3.19Å; F281-L285 PolarHBondContact O-N 3.04Å; F281-V297 HydrophobicContact CE2-CG1 4.14Å; F281-V297 HydrophobicContact CE2-CG2 3.83Å; F281-V297 HydrophobicContact CZ-CG2 4.1Å; F281-L308 HydrophobicContact CD1-CD1 3.68Å; F281-L308 HydrophobicContact CD2-CD1 4.44Å; F281-L308 HydrophobicContact CE1-CD1 3.5Å; F281-L308 HydrophobicContact CE1-CD2 4.33Å; F281-L308 HydrophobicContact CE1-CG 4.07Å; F281-L308 HydrophobicContact CE2-CD1 4.31Å; F281-L308 HydrophobicContact CE2-CD2 4.22Å; F281-L308 HydrophobicContact CG-CD1 4.18Å; F281-L308 HydrophobicContact CZ-CD1 3.86Å; F281-L308 HydrophobicContact CZ-CD2 3.88Å; F281-L308 HydrophobicContact CZ-CG 4.12Å; F281-L312 HydrophobicContact CE1-CD1 4.05Å; F281-L312 HydrophobicContact CE1-CD2 3.93Å; F281-L312 HydrophobicContact CE1-CG 4.14Å; F281-L312 HydrophobicContact CZ-CD1 4.39Å; F281-F394 HydrophobicContact CZ-CE1 4.27Å; F281-I421 HydrophobicContact CD2-CB 4.23Å; F281-I421 HydrophobicContact CD2-CD1 4.31Å; F281-I421 HydrophobicContact CD2-CG2 3.57Å; F281-I421 HydrophobicContact CE2-CB 4.3Å; F281-I421 HydrophobicContact CE2-CD1 4.38Å; F281-I421 HydrophobicContact CE2-CG2 4.13Å; F281-T423 HydrophobicContact CD2-CG2 3.96Å; F281-T423 HydrophobicContact CE2-CG2 4.07Å; F281-C446 HydrophobicContact CB-CB 4.2Å
282C95.6Very high94.7Very high6 Ų647.4 Ų47.44%0.04128%0.283CS..Hα-helixtrans-61.6-40.7-179.5-75.60000112.2L278 G279 A286 F315L278-C282 PolarHBondContact O-N 2.83Å; L278-C282 PolarHBondContact O-SG 2.86Å; G279-C282 PolarHBondContact O-N 2.7Å; C282-A286 WeakPolarHBondContact O-CB 3.46Å; C282-A286 PolarHBondContact O-N 3.12Å; C282-F315 HydrophobicContact CB-CD1 4Å; C282-F315 HydrophobicContact CB-CD2 3.86Å; C282-F315 HydrophobicContact CB-CE1 3.9Å; C282-F315 HydrophobicContact CB-CE2 3.76Å; C282-F315 HydrophobicContact CB-CG 3.98Å; C282-F315 HydrophobicContact CB-CZ 3.77Å; C282-F315 WeakPolarHBondContact O-CE1 3.37Å; C282-F315 VanDerWaalsContact O-CZ 3.25Å; C282-F315 WeakPolarHBondContact O-CZ 3.5Å
283S95.2Very high95.1Very high50 Ų5046.3 Ų46.335%0.3528%0.275SS..Hα-helixtrans-62.1-51.6177.8-174.40000112G279 D280 F281 L285 A286 M287G279-S283 VanDerWaalsContact O-CB 3.31Å; G279-S283 WeakPolarHBondContact O-CB 3.23Å; G279-S283 PolarHBondContact O-N 2.84Å; D280-S283 PolarHBondContact O-N 3.03Å; F281-S283 VanDerWaalsContact C-N 3.33Å; F281-S283 PolarHBondContact O-N 2.85Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 3.33Å; S283-A286 PolarHBondContact O-N 3.46Å; S283-M287 WeakPolarHBondContact O-CG 3.36Å; S283-M287 PolarHBondContact O-N 3Å; S283-M287 WeakPolarHBondContact OG-CE 3.27Å
284N96.8Very high95.4Very high49 Ų4941.8 Ų41.826%0.26225%0.25SS..Hα-helixtrans-64.7-38.2179.1-79.3-77.8000112.2D280 F281 T288 I421 V444D280-N284 WeakPolarHBondContact O-CB 3.39Å; D280-N284 PolarHBondContact O-N 2.67Å; D280-N284 PolarHBondContact O-ND2 3.11Å; F281-N284 PolarHBondContact O-N 2.86Å; N284-T288 WeakPolarHBondContact O-CB 3.36Å; N284-T288 PolarHBondContact O-N 3.02Å; N284-T288 PolarHBondContact O-OG1 2.61Å; N284-I421 HydrophobicContact CB-CD1 4.11Å; N284-V444 HydrophobicContact CB-CG1 4.4Å; N284-V444 HydrophobicContact CB-CG2 4.33Å
285L96.4Very high95.7Very high0 Ų040.9 Ų40.90%025%0.245CC..Hα-helixtrans-59.6-52.7173.7-178.7154.4000110.6F281 S283 M287 T288 I289 V295 L312 L321 F326 V392 I421F281-L285 HydrophobicContact CE1-CD1 3.84Å; F281-L285 HydrophobicContact CZ-CD1 3.83Å; F281-L285 VanDerWaalsContact O-CB 3.26Å; F281-L285 WeakPolarHBondContact O-CB 3.19Å; F281-L285 PolarHBondContact O-N 3.04Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 3.33Å; L285-M287 PolarHBondContact O-N 3.09Å; L285-T288 PolarHBondContact O-N 3.18Å; L285-I289 HydrophobicContact CD2-CG1 4.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 3.24Å; L285-V295 HydrophobicContact CD1-CG1 4.47Å; L285-V295 HydrophobicContact CG-CG1 4.44Å; L285-V295 HydrophobicContact CG-CG2 4.25Å; L285-L312 HydrophobicContact CD1-CD2 3.95Å; L285-L321 HydrophobicContact CD2-CD1 3.96Å; L285-F326 HydrophobicContact CD1-CE1 4.49Å; L285-V392 HydrophobicContact CD1-CG1 4.01Å; L285-V392 HydrophobicContact CD1-CG2 3.98Å; L285-V392 HydrophobicContact CD2-CG2 4.25Å; L285-V392 HydrophobicContact CG-CG2 4.09Å; L285-I421 HydrophobicContact CB-CD1 4.27Å
286A95.6Very high96Very high3 Ų335 Ų353%0.02521%0.213CC..Hα-helixtrans-61.9-41.7-179.400000112.9C282 S283 T288 R290 F315 L321C282-A286 WeakPolarHBondContact O-CB 3.46Å; C282-A286 PolarHBondContact O-N 3.12Å; S283-A286 PolarHBondContact O-N 3.46Å; A286-T288 VanDerWaalsContact C-N 3.32Å; A286-T288 PolarHBondContact O-N 3Å; A286-R290 WeakPolarHBondContact O-CB 3.23Å; A286-R290 WeakPolarHBondContact O-CG 3.47Å; A286-R290 PolarHBondContact O-N 2.93Å; A286-F315 HydrophobicContact CB-CE1 3.9Å; A286-F315 HydrophobicContact CB-CZ 3.74Å; A286-L321 HydrophobicContact CB-CD1 4.06Å
287M95.5Very high96.2Very high115 Ų11533.4 Ų33.457%0.56720%0.197SC*.Hα-helixtrans-61.1-42.5176.4-71.4-175.5-16100111.9S283 L285 A291S283-M287 WeakPolarHBondContact O-CG 3.36Å; S283-M287 PolarHBondContact O-N 3Å; S283-M287 WeakPolarHBondContact OG-CE 3.27Å; L285-M287 PolarHBondContact O-N 3.09Å; M287-A291 WeakPolarHBondContact O-CB 3.23Å; M287-A291 PolarHBondContact O-N 3.48Å; M287-A291 VanDerWaalsContact O-N 3.12Å
288T97Very high96.3Very high8 Ų831.7 Ų31.75%0.04919%0.188CC..Hα-helixtrans-65.8-48-179.5-56.90000111.3N284 L285 A286 R290 A291 G292 G293 V295 L417 T419N284-T288 WeakPolarHBondContact O-CB 3.36Å; N284-T288 PolarHBondContact O-N 3.02Å; N284-T288 PolarHBondContact O-OG1 2.61Å; L285-T288 PolarHBondContact O-N 3.18Å; A286-T288 VanDerWaalsContact C-N 3.32Å; A286-T288 PolarHBondContact O-N 3Å; T288-R290 PolarHBondContact O-N 3.09Å; T288-A291 PolarHBondContact O-N 2.96Å; T288-G292 PolarHBondContact O-N 3.3Å; T288-G293 PolarHBondContact O-N 2.83Å; T288-V295 HydrophobicContact CG2-CG2 3.62Å; T288-L417 WeakPolarHBondContact CG2-O 3.12Å; T288-T419 WeakPolarHBondContact CG2-OG1 3.23Å; T288-T419 WeakPolarHBondContact OG1-CB 3.39Å; T288-T419 PolarHBondContact OG1-OG1 3.32Å
289I96.4Very high96.4Very high11 Ų1130.3 Ų30.36%0.05618%0.181CC..Hα-helixtrans-64.1-42.5179.9-63.8-58.2000111.3L285 A291 G292 V295 L321 T324 P390 V392L285-I289 HydrophobicContact CD2-CG1 4.26Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 3.24Å; I289-A291 PolarHBondContact O-N 3.35Å; I289-G292 PolarHBondContact O-N 3.45Å; I289-V295 HydrophobicContact CD1-CG2 3.98Å; I289-V295 HydrophobicContact CG1-CG2 4.18Å; I289-L321 HydrophobicContact CB-CD2 4.39Å; I289-L321 HydrophobicContact CG2-CD2 3.93Å; I289-T324 HydrophobicContact CD1-CG2 3.9Å; I289-T324 HydrophobicContact CG1-CG2 4.25Å; I289-T324 HydrophobicContact CG2-CG2 3.89Å; I289-T324 WeakPolarHBondContact CG2-OG1 3.47Å; I289-P390 HydrophobicContact CD1-CB 4.3Å; I289-V392 HydrophobicContact CD1-CG2 3.94Å; I289-V392 HydrophobicContact CG1-CG2 4.23Å
290R94.7Very high96.5Very high165 Ų16529 Ų2962%0.62316%0.164SC*.Hα-helixtrans-63.9-28.2176.5-72.6173-174.1151.82.7112.9A286 T288 G292 A319 L321A286-R290 WeakPolarHBondContact O-CB 3.23Å; A286-R290 WeakPolarHBondContact O-CG 3.47Å; A286-R290 PolarHBondContact O-N 2.93Å; T288-R290 PolarHBondContact O-N 3.09Å; R290-G292 PolarHBondContact O-N 2.92Å; R290-A319 PolarHBondContact NH2-O 3.17Å; R290-L321 HydrophobicContact CG-CD2 4.42Å
291A95.1Very high96.4Very high60 Ų6025.3 Ų25.350%0.49614%0.144SC..THydrogen-bonded Turntrans-79.11.517300000113.6M287 T288 I289 G293M287-A291 WeakPolarHBondContact O-CB 3.23Å; M287-A291 PolarHBondContact O-N 3.48Å; M287-A291 VanDerWaalsContact O-N 3.12Å; T288-A291 PolarHBondContact O-N 2.96Å; I289-A291 PolarHBondContact O-N 3.35Å; A291-G293 VanDerWaalsContact C-N 3.31Å
292G95.3Very high96.3Very high45 Ų4525.5 Ų25.546%0.46415%0.145SC..THydrogen-bonded Turntrans77.513.5-178.300000114.3T288 I289 R290T288-G292 PolarHBondContact O-N 3.3Å; I289-G292 PolarHBondContact O-N 3.45Å; R290-G292 PolarHBondContact O-N 2.92Å
293G97Very high96.1Very high0 Ų025.3 Ų25.30%014%0.144CC..  trans-89.9168.7177.500000113.7T288 A291 P390 L417T288-G293 PolarHBondContact O-N 2.83Å; A291-G293 VanDerWaalsContact C-N 3.31Å; G293-P390 VanDerWaalsContact O-CB 3.23Å; G293-P390 WeakPolarHBondContact O-CB 3.39Å; G293-L417 WeakPolarHBondContact CA-O 3.39Å
294N98Very high95.9Very high3 Ų323.8 Ų23.82%0.01613%0.133CC..  trans-100149.3173.4-54-73.8000111.4Q389 P390 C391 W412 N418 T419N294-Q389 VanDerWaalsContact ND2-CD 3.31Å; N294-Q389 PolarHBondContact ND2-OE1 3.07Å; N294-Q389 WeakPolarHBondContact OD1-CB 3.46Å; N294-Q389 VanDerWaalsContact OD1-CG 3.22Å; N294-Q389 WeakPolarHBondContact OD1-CG 3.3Å; N294-P390 WeakPolarHBondContact OD1-CA 3.27Å; N294-C391 WeakPolarHBondContact CA-O 3.4Å; N294-C391 PolarHBondContact OD1-N 3.45Å; N294-C391 VanDerWaalsContact OD1-N 3.16Å; N294-C391 PolarHBondContact OD1-SG 3.07Å; N294-W412 HydrophobicContact CB-CD2 4.08Å; N294-W412 HydrophobicContact CB-CE3 3.98Å; N294-W412 HydrophobicContact CB-CH2 3.66Å; N294-W412 HydrophobicContact CB-CZ2 3.77Å; N294-W412 HydrophobicContact CB-CZ3 3.77Å; N294-N418 WeakPolarHBondContact CB-OD1 3.43Å; N294-N418 PolarHBondContact N-OD1 3.14Å; N294-N418 PolarHBondContact ND2-OD1 3.16Å; N294-N418 VanDerWaalsContact O-CA 3.31Å; N294-N418 WeakPolarHBondContact O-CA 3.37Å; N294-T419 PolarHBondContact O-N 3.38Å
295V98.4Very high95.8Very high0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-111.3124176.11800000109.4L285 T288 I289 V297 C391 V392 V393 T419 I421L285-V295 HydrophobicContact CD1-CG1 4.47Å; L285-V295 HydrophobicContact CG-CG1 4.44Å; L285-V295 HydrophobicContact CG-CG2 4.25Å; T288-V295 HydrophobicContact CG2-CG2 3.62Å; I289-V295 HydrophobicContact CD1-CG2 3.98Å; I289-V295 HydrophobicContact CG1-CG2 4.18Å; V295-V297 HydrophobicContact CG1-CG2 3.96Å; V295-C391 PolarHBondContact N-O 3.34Å; V295-V392 HydrophobicContact CB-CB 4.49Å; V295-V392 HydrophobicContact CB-CG1 4.24Å; V295-V392 HydrophobicContact CB-CG2 4.19Å; V295-V392 HydrophobicContact CG1-CG1 4.27Å; V295-V392 CarbonylContact O-C 3.41Å; V295-V392 WeakPolarHBondContact O-CA 3.29Å; V295-V393 PolarHBondContact O-N 3.24Å; V295-T419 WeakPolarHBondContact CA-O 3.22Å; V295-I421 HydrophobicContact CG1-CD1 3.7Å; V295-I421 HydrophobicContact CG1-CG1 4.06Å
296L98.6Very high95.8Very high0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-105.9125.6173.8-17459000109.5V393 T395 V405 F408 M409 W412 T419 I420 I421 M441L296-V393 HydrophobicContact CD1-CB 4.26Å; L296-V393 HydrophobicContact CD1-CG1 4.22Å; L296-T395 HydrophobicContact CD1-CG2 3.86Å; L296-V405 HydrophobicContact CD1-CG2 4.26Å; L296-V405 HydrophobicContact CD2-CG2 3.9Å; L296-V405 HydrophobicContact CG-CG2 4.19Å; L296-F408 HydrophobicContact CD1-CB 3.83Å; L296-F408 HydrophobicContact CD1-CD2 4.22Å; L296-F408 HydrophobicContact CD1-CG 4.14Å; L296-F408 HydrophobicContact CD2-CB 3.75Å; L296-F408 HydrophobicContact CG-CB 4.44Å; L296-M409 HydrophobicContact CD2-CG 4.26Å; L296-M409 HydrophobicContact CD2-SD 3.97Å; L296-W412 HydrophobicContact CB-CE3 3.89Å; L296-W412 HydrophobicContact CB-CZ3 3.77Å; L296-W412 HydrophobicContact CD1-CZ3 4.1Å; L296-W412 HydrophobicContact CD2-CE3 4.47Å; L296-W412 HydrophobicContact CG-CZ3 4.43Å; L296-T419 PolarHBondContact N-O 3.25Å; L296-I420 HydrophobicContact CB-CB 4.45Å; L296-I420 HydrophobicContact CB-CG1 4.44Å; L296-I420 HydrophobicContact CD2-CD1 4.2Å; L296-I420 CarbonylContact O-C 3.59Å; L296-I420 VanDerWaalsContact O-CA 3.31Å; L296-I420 WeakPolarHBondContact O-CA 3.3Å; L296-I421 PolarHBondContact O-N 3.31Å; L296-M441 HydrophobicContact CB-CE 3.8Å; L296-M441 HydrophobicContact CD2-CE 4.36Å
297V98.4Very high95.6Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-119.497.9178.5-172.70000108.8F281 V295 C299 L308 V392 V393 F394 T395 T423F281-V297 HydrophobicContact CE2-CG1 4.14Å; F281-V297 HydrophobicContact CE2-CG2 3.83Å; F281-V297 HydrophobicContact CZ-CG2 4.1Å; V295-V297 HydrophobicContact CG1-CG2 3.96Å; V297-C299 HydrophobicContact CG1-CB 4.47Å; V297-C299 PolarHBondContact O-N 2.98Å; V297-L308 HydrophobicContact CG1-CD2 4.46Å; V297-V392 HydrophobicContact CG2-CG1 4.35Å; V297-V393 PolarHBondContact N-O 3.17Å; V297-F394 HydrophobicContact CB-CD1 3.56Å; V297-F394 HydrophobicContact CB-CE1 3.81Å; V297-F394 HydrophobicContact CB-CG 4.48Å; V297-F394 HydrophobicContact CG1-CD1 3.73Å; V297-F394 HydrophobicContact CG1-CE1 3.89Å; V297-F394 HydrophobicContact CG2-CD1 4.05Å; V297-F394 HydrophobicContact CG2-CE1 3.79Å; V297-F394 WeakPolarHBondContact O-CA 3.36Å; V297-T395 PolarHBondContact O-N 3.13Å; V297-T423 HydrophobicContact CG1-CG2 4.03Å
298P97.8Very high95.5Very high1 Ų117.5 Ų17.51%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-71.1108.6172.731.3-38.4000110.5T395 L400 V405 I420 I421 F422P298-T395 WeakPolarHBondContact CA-O 3.16Å; P298-L400 HydrophobicContact CB-CD2 3.82Å; P298-L400 HydrophobicContact CG-CD2 4.34Å; P298-V405 HydrophobicContact CB-CG2 4.07Å; P298-I420 HydrophobicContact CG-CD1 4.01Å; P298-I420 HydrophobicContact CG-CG1 4.1Å; P298-I421 WeakPolarHBondContact CD-O 3.41Å; P298-F422 HydrophobicContact CG-CD1 3.66Å; P298-F422 HydrophobicContact CG-CE1 3.85Å; P298-F422 HydrophobicContact CG-CG 4.06Å; P298-F422 HydrophobicContact CG-CZ 4.4Å
299C96.4Very high95.4Very high1 Ų117.2 Ų17.21%0.00710%0.099CC..  trans-140.2165.7-176.460.20000112.1V297 T395 G396V297-C299 HydrophobicContact CG1-CB 4.47Å; V297-C299 PolarHBondContact O-N 2.98Å; C299-T395 PolarHBondContact N-O 3.06Å; C299-G396 WeakPolarHBondContact O-CA 3.39Å
300Y96.4Very high95.2Very high14 Ų1418.8 Ų18.86%0.05511%0.106CC..  trans-74.1159169.6-63-65.7000111.6H105 S302 H397 P398 E424 D426H105-Y300 AromaticContact CE1-CD2 3.96Å; H105-Y300 AromaticContact CE1-CE2 3.91Å; Y300-S302 VanDerWaalsContact C-N 3.25Å; Y300-S302 PolarHBondContact O-N 2.95Å; Y300-H397 AromaticContact CE1-NE2 3.46Å; Y300-H397 WeakPolarHBondContact CE1-NE2 3.37Å; Y300-P398 HydrophobicContact CD1-CG 4Å; Y300-P398 HydrophobicContact CD2-CG 4.27Å; Y300-P398 HydrophobicContact CE1-CG 3.91Å; Y300-P398 HydrophobicContact CE2-CG 4.2Å; Y300-P398 HydrophobicContact CG-CG 4.19Å; Y300-E424 VanDerWaalsContact CD2-CD 3.45Å; Y300-E424 HydrophobicContact CD2-CG 3.81Å; Y300-E424 WeakPolarHBondContact CD2-OE2 3.5Å; Y300-E424 HydrophobicContact CE2-CB 4.28Å; Y300-E424 HydrophobicContact CE2-CG 3.85Å; Y300-D426 VanDerWaalsContact CE2-OD2 3.32Å; Y300-D426 WeakPolarHBondContact CE2-OD2 3.36Å; Y300-D426 PolarHBondContact OH-OD2 3.3Å
301S94.1Very high95.1Very high1 Ų112.7 Ų12.71%0.0079%0.089CC..SBendtrans-70.7-17-178.664.50000114.4F328 S336S301-F328 WeakPolarHBondContact O-CZ 3.37Å; S301-S336 WeakPolarHBondContact O-CB 3.42Å; S301-S336 PolarHBondContact O-OG 2.62Å
302S94.2Very high94.9Very high3 Ų39.9 Ų9.92%0.0217%0.066CC..SBendtrans-145.3159.1-177.4-56.50000110.5Y300 Y306 S336Y300-S302 VanDerWaalsContact C-N 3.25Å; Y300-S302 PolarHBondContact O-N 2.95Å; S302-Y306 WeakPolarHBondContact CB-OH 3.42Å; S302-Y306 PolarHBondContact OG-OH 2.61Å; S302-S336 WeakPolarHBondContact OG-CB 3.17Å; S302-S336 PolarHBondContact OG-OG 3.34Å
303G91.8Very high94.5Very high3 Ų310 Ų103%0.0315%0.052CC..SBendtrans106.4-121.9176.800000112.8Y104 I305 Y306Y104-G303 WeakPolarHBondContact OH-CA 3.38Å; G303-I305 PolarHBondContact O-N 3.08Å; G303-Y306 WeakPolarHBondContact O-CD2 3.18Å; G303-Y306 PolarHBondContact O-N 2.74Å
304V91.1Very high94Very high18 Ų1815.7 Ų15.711%0.1098%0.079CC..Hα-helixtrans-55.6-27.2-175.8175.30000112.7Y306 D307 L308 I448V304-Y306 PolarHBondContact O-N 2.68Å; V304-Y306 VanDerWaalsContact O-N 3.15Å; V304-D307 PolarHBondContact O-N 3.09Å; V304-D307 VanDerWaalsContact O-N 3.15Å; V304-L308 PolarHBondContact O-N 3.01Å; V304-I448 HydrophobicContact CG1-CB 3.92Å; V304-I448 HydrophobicContact CG1-CD1 4.41Å; V304-I448 HydrophobicContact CG1-CG2 3.59Å
305I94.7Very high93.6Very high2 Ų218 Ų181%0.019%0.089CC..Hα-helixtrans-55-31.3175.4-165.7172.1000112.9G303 L308 L309 F328 F394G303-I305 PolarHBondContact O-N 3.08Å; I305-L308 PolarHBondContact O-N 3.39Å; I305-L309 HydrophobicContact CG1-CD1 4.2Å; I305-L309 HydrophobicContact CG1-CG 4.25Å; I305-L309 WeakPolarHBondContact O-CB 2.99Å; I305-L309 VanDerWaalsContact O-CG 3.23Å; I305-L309 WeakPolarHBondContact O-CG 2.88Å; I305-L309 PolarHBondContact O-N 3.27Å; I305-F328 HydrophobicContact CD1-CD1 4.47Å; I305-F328 HydrophobicContact CD1-CD2 3.79Å; I305-F328 HydrophobicContact CD1-CE1 4.18Å; I305-F328 HydrophobicContact CD1-CE2 3.46Å; I305-F328 VanDerWaalsContact CD1-CE2 3.46Å; I305-F328 HydrophobicContact CD1-CG 4.31Å; I305-F328 HydrophobicContact CD1-CZ 3.68Å; I305-F394 HydrophobicContact CD1-CB 4.21Å; I305-F394 HydrophobicContact CD1-CG 4.45Å
306Y94.6Very high92.9Very high0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-66.7-44.9178.6-55.1-35.1000112H246 S302 G303 V304 L308 L309 E310 S336 F362H246-Y306 AromaticContact NE2-CD2 3.98Å; S302-Y306 WeakPolarHBondContact CB-OH 3.42Å; S302-Y306 PolarHBondContact OG-OH 2.61Å; G303-Y306 WeakPolarHBondContact O-CD2 3.18Å; G303-Y306 PolarHBondContact O-N 2.74Å; V304-Y306 PolarHBondContact O-N 2.68Å; V304-Y306 VanDerWaalsContact O-N 3.15Å; Y306-L308 VanDerWaalsContact C-N 3.33Å; Y306-L309 PolarHBondContact O-N 3.32Å; Y306-E310 WeakPolarHBondContact O-CB 3.25Å; Y306-E310 PolarHBondContact O-N 2.87Å; Y306-E310 VanDerWaalsContact O-N 3.09Å; Y306-S336 PolarHBondContact OH-O 2.65Å; Y306-S336 VanDerWaalsContact OH-O 3.07Å; Y306-S336 PolarHBondContact OH-OG 3.41Å; Y306-F362 HydrophobicContact CG-CE1 4.44Å
307D92.9Very high92.1Very high31 Ų3123.2 Ų23.217%0.16611%0.113CC..Hα-helixtrans-68.8-35.9176.7-55.3-64.1000110.6H246 V304 E310 C311H246-D307 IonicContact CE1-OD2 3.65Å; H246-D307 PolarHBondContact CE1-OD2 3.07Å; H246-D307 VanDerWaalsContact CE1-OD2 3.3Å; H246-D307 IonicContact CG-OD1 2.66Å; H246-D307 PolarHBondContact N-OD1 3.5Å; H246-D307 IonicContact ND1-OD1 3.47Å; H246-D307 PolarHBondContact ND1-OD1 2.86Å; H246-D307 IonicContact ND1-OD2 2.67Å; H246-D307 PolarHBondContact ND1-OD2 2.8Å; V304-D307 PolarHBondContact O-N 3.09Å; V304-D307 VanDerWaalsContact O-N 3.15Å; D307-E310 PolarHBondContact O-N 2.76Å; D307-C311 WeakPolarHBondContact O-CB 3.35Å; D307-C311 PolarHBondContact O-N 2.74Å
308L93.7Very high91.6Very high2 Ų229.8 Ų29.81%0.0115%0.149CC..Hα-helixtrans-63.1-45.9175.7-168.465.5000112L278 F281 V297 V304 I305 Y306 E310 C311 L312 F394 T423 I448L278-L308 HydrophobicContact CD2-CD1 3.63Å; F281-L308 HydrophobicContact CD1-CD1 3.68Å; F281-L308 HydrophobicContact CD2-CD1 4.44Å; F281-L308 HydrophobicContact CE1-CD1 3.5Å; F281-L308 HydrophobicContact CE1-CD2 4.33Å; F281-L308 HydrophobicContact CE1-CG 4.07Å; F281-L308 HydrophobicContact CE2-CD1 4.31Å; F281-L308 HydrophobicContact CE2-CD2 4.22Å; F281-L308 HydrophobicContact CG-CD1 4.18Å; F281-L308 HydrophobicContact CZ-CD1 3.86Å; F281-L308 HydrophobicContact CZ-CD2 3.88Å; F281-L308 HydrophobicContact CZ-CG 4.12Å; V297-L308 HydrophobicContact CG1-CD2 4.46Å; V304-L308 PolarHBondContact O-N 3.01Å; I305-L308 PolarHBondContact O-N 3.39Å; Y306-L308 VanDerWaalsContact C-N 3.33Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 3.1Å; L308-C311 PolarHBondContact O-N 3.05Å; L308-L312 HydrophobicContact CG-CD1 4.29Å; L308-L312 WeakPolarHBondContact O-CB 3.44Å; L308-L312 VanDerWaalsContact O-CG 3.28Å; L308-L312 WeakPolarHBondContact O-CG 2.95Å; L308-L312 PolarHBondContact O-N 3.35Å; L308-F394 HydrophobicContact CD2-CD1 4.28Å; L308-F394 HydrophobicContact CD2-CE1 3.61Å; L308-F394 HydrophobicContact CD2-CZ 4.46Å; L308-F394 HydrophobicContact CG-CE1 4.47Å; L308-T423 HydrophobicContact CD2-CG2 4.35Å; L308-I448 HydrophobicContact CD1-CD1 3.96Å
309L94.1Very high91Very high2 Ų230.1 Ų30.11%0.0115%0.151CC..Hα-helixtrans-64.5-35.5176.4-71.4173.2000111.8I305 Y306 L312 Y313 L337 H364 L373 F394I305-L309 HydrophobicContact CG1-CD1 4.2Å; I305-L309 HydrophobicContact CG1-CG 4.25Å; I305-L309 WeakPolarHBondContact O-CB 2.99Å; I305-L309 VanDerWaalsContact O-CG 3.23Å; I305-L309 WeakPolarHBondContact O-CG 2.88Å; I305-L309 PolarHBondContact O-N 3.27Å; Y306-L309 PolarHBondContact O-N 3.32Å; L309-L312 PolarHBondContact O-N 2.99Å; L309-Y313 WeakPolarHBondContact O-CB 3.38Å; L309-Y313 PolarHBondContact O-N 3.34Å; L309-L337 HydrophobicContact CD1-CD2 4.15Å; L309-H364 HydrophobicContact CB-CB 4.23Å; L309-H364 HydrophobicContact CD1-CB 4.11Å; L309-L373 HydrophobicContact CD1-CD2 4Å; L309-L373 HydrophobicContact CD2-CD1 4.16Å; L309-L373 HydrophobicContact CD2-CD2 4.04Å; L309-F394 HydrophobicContact CD2-CE2 4.06Å
310E92.2Very high90.5Very high43 Ų4337.1 Ų37.120%0.20119%0.189CC..Hα-helixtrans-68.6-41.4175177.9156.2-160.400112.5Y306 D307 L308 L312 Y313 K351 P363Y306-E310 WeakPolarHBondContact O-CB 3.25Å; Y306-E310 PolarHBondContact O-N 2.87Å; Y306-E310 VanDerWaalsContact O-N 3.09Å; D307-E310 PolarHBondContact O-N 2.76Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 3.1Å; E310-L312 VanDerWaalsContact C-N 3.35Å; E310-Y313 WeakPolarHBondContact O-CB 3.46Å; E310-Y313 PolarHBondContact O-N 3.49Å; E310-K351 IonicContact OE1-NZ 2.75Å; E310-K351 PolarHBondContact OE1-NZ 3.12Å; E310-K351 IonicContact OE2-NZ 2.71Å; E310-K351 PolarHBondContact OE2-NZ 3.09Å; E310-P363 HydrophobicContact CB-CG 3.87Å; E310-P363 HydrophobicContact CG-CG 3.81Å
311C91.8Very high89.9Confident38 Ų3836.9 Ų36.926%0.25719%0.188SC..Hα-helixtrans-61.5-44.9171.9-176.20000111.2L278 D307 L308 Y313 Q314 F315L278-C311 HydrophobicContact CD2-CB 4.49Å; D307-C311 WeakPolarHBondContact O-CB 3.35Å; D307-C311 PolarHBondContact O-N 2.74Å; L308-C311 PolarHBondContact O-N 3.05Å; C311-Y313 VanDerWaalsContact C-N 3.35Å; C311-Y313 PolarHBondContact O-N 2.88Å; C311-Q314 PolarHBondContact O-N 3.35Å; C311-F315 WeakPolarHBondContact O-CB 3.3Å; C311-F315 PolarHBondContact O-N 3.49Å
312L90.7Very high89.2Confident1 Ų139 Ų391%0.00521%0.21CC..Hα-helixtrans-64.4-37.5179-77.8171.7000113.1F281 L285 L308 L309 E310 Q314 F315 I316 F326 F394F281-L312 HydrophobicContact CE1-CD1 4.05Å; F281-L312 HydrophobicContact CE1-CD2 3.93Å; F281-L312 HydrophobicContact CE1-CG 4.14Å; F281-L312 HydrophobicContact CZ-CD1 4.39Å; L285-L312 HydrophobicContact CD1-CD2 3.95Å; L308-L312 HydrophobicContact CG-CD1 4.29Å; L308-L312 WeakPolarHBondContact O-CB 3.44Å; L308-L312 VanDerWaalsContact O-CG 3.28Å; L308-L312 WeakPolarHBondContact O-CG 2.95Å; L308-L312 PolarHBondContact O-N 3.35Å; L309-L312 PolarHBondContact O-N 2.99Å; E310-L312 VanDerWaalsContact C-N 3.35Å; L312-Q314 VanDerWaalsContact C-N 3.27Å; L312-Q314 PolarHBondContact O-N 3.4Å; L312-F315 HydrophobicContact CD2-CD1 4.41Å; L312-F315 PolarHBondContact O-N 2.86Å; L312-F315 VanDerWaalsContact O-N 3.12Å; L312-I316 HydrophobicContact CB-CD1 4.28Å; L312-I316 WeakPolarHBondContact O-CB 3.22Å; L312-I316 VanDerWaalsContact O-CD1 3.27Å; L312-I316 WeakPolarHBondContact O-CD1 3.05Å; L312-I316 WeakPolarHBondContact O-CG1 3.42Å; L312-I316 PolarHBondContact O-N 3.48Å; L312-F326 HydrophobicContact CD1-CD1 4.41Å; L312-F326 HydrophobicContact CD1-CE1 4.07Å; L312-F326 HydrophobicContact CD2-CE1 4.25Å; L312-F394 HydrophobicContact CD1-CE1 4.35Å; L312-F394 HydrophobicContact CD1-CE2 4.27Å; L312-F394 HydrophobicContact CD1-CZ 3.48Å; L312-F394 VanDerWaalsContact CD1-CZ 3.48Å
313Y88.9Confident88.7Confident46 Ų4644.4 Ų44.418%0.1825%0.248CC..Hα-helixtrans-50.9-49.6175.2-179.2-108.4000111.5L309 E310 C311 P363 E366 L367L309-Y313 WeakPolarHBondContact O-CB 3.38Å; L309-Y313 PolarHBondContact O-N 3.34Å; E310-Y313 WeakPolarHBondContact O-CB 3.46Å; E310-Y313 PolarHBondContact O-N 3.49Å; C311-Y313 VanDerWaalsContact C-N 3.35Å; C311-Y313 PolarHBondContact O-N 2.88Å; Y313-P363 HydrophobicContact CD1-CB 3.66Å; Y313-P363 HydrophobicContact CD1-CG 4.24Å; Y313-P363 HydrophobicContact CD2-CB 4.17Å; Y313-P363 HydrophobicContact CE1-CB 4.04Å; Y313-P363 HydrophobicContact CG-CB 3.73Å; Y313-P363 HydrophobicContact CG-CG 4.21Å; Y313-E366 PolarHBondContact OH-OE1 3.01Å; Y313-E366 PolarHBondContact OH-OE2 2.86Å; Y313-L367 HydrophobicContact CD2-CD1 4.09Å; Y313-L367 HydrophobicContact CD2-CD2 3.58Å; Y313-L367 HydrophobicContact CD2-CG 3.61Å; Y313-L367 HydrophobicContact CE2-CD2 4.07Å; Y313-L367 HydrophobicContact CE2-CG 4.25Å
314Q86.3Confident88.6Confident120 Ų12044.8 Ų44.856%0.56125%0.25SS*.Hα-helixtrans-71.5-37179-601774.100112.1C311 L312 N318C311-Q314 PolarHBondContact O-N 3.35Å; L312-Q314 VanDerWaalsContact C-N 3.27Å; L312-Q314 PolarHBondContact O-N 3.4Å; Q314-N318 PolarHBondContact O-ND2 3.43Å; Q314-N318 VanDerWaalsContact O-ND2 3.08Å
315F88.4Confident88.7Confident51 Ų5145 Ų4522%0.22425%0.252CS..Hα-helixtrans-72.5-39.4-175.4-179.5-104.3000113.5C282 A286 C311 L312 E317 N318 A319 L321C282-F315 HydrophobicContact CB-CD1 4Å; C282-F315 HydrophobicContact CB-CD2 3.86Å; C282-F315 HydrophobicContact CB-CE1 3.9Å; C282-F315 HydrophobicContact CB-CE2 3.76Å; C282-F315 HydrophobicContact CB-CG 3.98Å; C282-F315 HydrophobicContact CB-CZ 3.77Å; C282-F315 WeakPolarHBondContact O-CE1 3.37Å; C282-F315 VanDerWaalsContact O-CZ 3.25Å; C282-F315 WeakPolarHBondContact O-CZ 3.5Å; A286-F315 HydrophobicContact CB-CE1 3.9Å; A286-F315 HydrophobicContact CB-CZ 3.74Å; C311-F315 WeakPolarHBondContact O-CB 3.3Å; C311-F315 PolarHBondContact O-N 3.49Å; L312-F315 HydrophobicContact CD2-CD1 4.41Å; L312-F315 PolarHBondContact O-N 2.86Å; L312-F315 VanDerWaalsContact O-N 3.12Å; F315-E317 VanDerWaalsContact C-N 3.29Å; F315-E317 PolarHBondContact O-N 2.98Å; F315-N318 PolarHBondContact O-N 3.19Å; F315-A319 HydrophobicContact CD1-CB 4.21Å; F315-A319 HydrophobicContact CE1-CB 3.82Å; F315-A319 HydrophobicContact CE2-CB 4.21Å; F315-A319 HydrophobicContact CZ-CB 3.82Å; F315-A319 VanDerWaalsContact O-CB 3.22Å; F315-A319 WeakPolarHBondContact O-CB 3.39Å; F315-A319 PolarHBondContact O-N 3.29Å; F315-L321 HydrophobicContact CE1-CD1 4.08Å
316I85.1Confident88.7Confident4 Ų445.2 Ų45.22%0.02125%0.252CS..Hα-helixtrans-58.7-41.9-175.7-71.7158.7000111.6L312 N320 L321 F326L312-I316 HydrophobicContact CB-CD1 4.28Å; L312-I316 WeakPolarHBondContact O-CB 3.22Å; L312-I316 VanDerWaalsContact O-CD1 3.27Å; L312-I316 WeakPolarHBondContact O-CD1 3.05Å; L312-I316 WeakPolarHBondContact O-CG1 3.42Å; L312-I316 PolarHBondContact O-N 3.48Å; I316-N320 PolarHBondContact O-N 3.08Å; I316-L321 HydrophobicContact CG2-CB 4.28Å; I316-L321 PolarHBondContact O-N 2.58Å; I316-L321 VanDerWaalsContact O-N 3.08Å; I316-F326 HydrophobicContact CD1-CD2 3.98Å; I316-F326 HydrophobicContact CD1-CE1 3.99Å; I316-F326 HydrophobicContact CD1-CE2 3.29Å; I316-F326 HydrophobicContact CD1-CZ 3.3Å; I316-F326 HydrophobicContact CG1-CE1 4.43Å; I316-F326 HydrophobicContact CG1-CE2 3.75Å; I316-F326 HydrophobicContact CG1-CZ 3.5Å
317E81.4Confident88.9Confident106 Ų10645.2 Ų45.250%0.49525%0.253SS..Hα-helixtrans-66.9-46180-59.3-164.5150.800111.1F315 A319 N320 K372F315-E317 VanDerWaalsContact C-N 3.29Å; F315-E317 PolarHBondContact O-N 2.98Å; E317-A319 VanDerWaalsContact C-N 3.32Å; E317-A319 PolarHBondContact O-N 2.93Å; E317-N320 PolarHBondContact O-N 2.84Å; E317-K372 IonicContact OE1-NZ 3.2Å
318N86.9Confident89.1Confident139 Ų13943.8 Ų43.874%0.74325%0.245SC*.Hα-helixtrans-66.9-32.5178.7-68.3-30.6000113Q314 F315Q314-N318 PolarHBondContact O-ND2 3.43Å; Q314-N318 VanDerWaalsContact O-ND2 3.08Å; F315-N318 PolarHBondContact O-N 3.19Å
319A86.6Confident89.3Confident8 Ų843.7 Ų43.77%0.06624%0.244CC..THydrogen-bonded Turntrans-88.30.8-174.700000114.2R290 F315 E317 L321R290-A319 PolarHBondContact NH2-O 3.17Å; F315-A319 HydrophobicContact CD1-CB 4.21Å; F315-A319 HydrophobicContact CE1-CB 3.82Å; F315-A319 HydrophobicContact CE2-CB 4.21Å; F315-A319 HydrophobicContact CZ-CB 3.82Å; F315-A319 VanDerWaalsContact O-CB 3.22Å; F315-A319 WeakPolarHBondContact O-CB 3.39Å; F315-A319 PolarHBondContact O-N 3.29Å; E317-A319 VanDerWaalsContact C-N 3.32Å; E317-A319 PolarHBondContact O-N 2.93Å; A319-L321 VanDerWaalsContact C-N 3.25Å; A319-L321 HydrophobicContact CB-CD1 3.9Å; A319-L321 HydrophobicContact CB-CG 3.8Å; A319-L321 PolarHBondContact O-N 2.84Å
320N83.9Confident89.4Confident148 Ų14843.7 Ų43.779%0.79124%0.244SC*.THydrogen-bonded Turntrans54.437.4-172.2-69.2-18.4000113.2I316 E317I316-N320 PolarHBondContact O-N 3.08Å; E317-N320 PolarHBondContact O-N 2.84Å
321L84.9Confident89.6Confident8 Ų843.4 Ų43.44%0.04225%0.247CC..  trans-96.915179.5-60.7179.3000112.9L285 A286 I289 R290 F315 I316 A319 S323 T324L285-L321 HydrophobicContact CD2-CD1 3.96Å; A286-L321 HydrophobicContact CB-CD1 4.06Å; I289-L321 HydrophobicContact CB-CD2 4.39Å; I289-L321 HydrophobicContact CG2-CD2 3.93Å; R290-L321 HydrophobicContact CG-CD2 4.42Å; F315-L321 HydrophobicContact CE1-CD1 4.08Å; I316-L321 HydrophobicContact CG2-CB 4.28Å; I316-L321 PolarHBondContact O-N 2.58Å; I316-L321 VanDerWaalsContact O-N 3.08Å; A319-L321 VanDerWaalsContact C-N 3.25Å; A319-L321 HydrophobicContact CB-CD1 3.9Å; A319-L321 HydrophobicContact CB-CG 3.8Å; A319-L321 PolarHBondContact O-N 2.84Å; L321-S323 PolarHBondContact O-N 3.1Å; L321-T324 WeakPolarHBondContact O-CB 3.35Å; L321-T324 PolarHBondContact O-N 2.89Å; L321-T324 PolarHBondContact O-OG1 3.33Å
322G78.2Confident89.9Confident46 Ų4642 Ų4247%0.47424%0.237SC..THydrogen-bonded Turntrans-60.4-16.8-169.900000116.4
323S84.8Confident90.1Very high117 Ų11742 Ų4282%0.81824%0.237SC*.THydrogen-bonded Turntrans-88.2-9.317556.70000114.2L321L321-S323 PolarHBondContact O-N 3.1Å
324T90.4Very high90.5Very high11 Ų1143 Ų437%0.06725%0.245CC..  trans-84.2121.9-174.9-53.20000110I289 L321 F326 V392I289-T324 HydrophobicContact CD1-CG2 3.9Å; I289-T324 HydrophobicContact CG1-CG2 4.25Å; I289-T324 HydrophobicContact CG2-CG2 3.89Å; I289-T324 WeakPolarHBondContact CG2-OG1 3.47Å; L321-T324 WeakPolarHBondContact O-CB 3.35Å; L321-T324 PolarHBondContact O-N 2.89Å; L321-T324 PolarHBondContact O-OG1 3.33Å; T324-F326 WeakPolarHBondContact O-CD2 3.29Å; T324-F326 WeakPolarHBondContact O-CE2 3.45Å; T324-V392 HydrophobicContact CG2-CG2 4.45Å
325P92.4Very high91Very high22 Ų2239.4 Ų39.414%0.14323%0.233CC..  trans-75.5140.4176.230.7-33.7000111.5Y327 R388 P390 C391 V392P325-Y327 HydrophobicContact CB-CE2 3.8Å; P325-Y327 HydrophobicContact CG-CE2 3.74Å; P325-R388 HydrophobicContact CG-CB 4.35Å; P325-P390 WeakPolarHBondContact CD-O 3.29Å; P325-C391 HydrophobicContact CG-CB 3.92Å; P325-V392 PolarHBondContact O-N 3.4Å; P325-V392 VanDerWaalsContact O-N 3.16Å
326F95.2Very high91.4Very high6 Ų637 Ų373%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-106.5129.7170.6-66.3-106.1000108.5L285 L312 I316 T324 K372 L373 K374 V392 F394L285-F326 HydrophobicContact CD1-CE1 4.49Å; L312-F326 HydrophobicContact CD1-CD1 4.41Å; L312-F326 HydrophobicContact CD1-CE1 4.07Å; L312-F326 HydrophobicContact CD2-CE1 4.25Å; I316-F326 HydrophobicContact CD1-CD2 3.98Å; I316-F326 HydrophobicContact CD1-CE1 3.99Å; I316-F326 HydrophobicContact CD1-CE2 3.29Å; I316-F326 HydrophobicContact CD1-CZ 3.3Å; I316-F326 HydrophobicContact CG1-CE1 4.43Å; I316-F326 HydrophobicContact CG1-CE2 3.75Å; I316-F326 HydrophobicContact CG1-CZ 3.5Å; T324-F326 WeakPolarHBondContact O-CD2 3.29Å; T324-F326 WeakPolarHBondContact O-CE2 3.45Å; F326-K372 PolarHBondContact N-O 3.47Å; F326-L373 HydrophobicContact CB-CD1 3.84Å; F326-L373 WeakPolarHBondContact O-CA 3.4Å; F326-K374 PolarHBondContact O-N 3.42Å; F326-V392 CarbonylContact C-O 3.57Å; F326-V392 WeakPolarHBondContact CA-O 3.43Å; F326-V392 HydrophobicContact CD1-CB 3.65Å; F326-V392 HydrophobicContact CD1-CG1 3.96Å; F326-V392 HydrophobicContact CD1-CG2 4.01Å; F326-V392 HydrophobicContact CE1-CB 3.85Å; F326-V392 HydrophobicContact CE1-CG1 4.12Å; F326-V392 HydrophobicContact CE1-CG2 3.68Å; F326-V392 HydrophobicContact CG-CB 4.31Å; F326-V392 HydrophobicContact CZ-CG2 4.07Å; F326-F394 AromaticContact CD1-CE2 3.9Å; F326-F394 HydrophobicContact CD1-CE2 3.9Å; F326-F394 HydrophobicContact CD1-CZ 4.38Å
327Y97.4Very high91.9Very high1 Ų137 Ų370%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-116.2130.2179.9-62.1-74.5000110P325 K374 Y376 F383 E386 F387 R388 C391 V392 V393 F394P325-Y327 HydrophobicContact CB-CE2 3.8Å; P325-Y327 HydrophobicContact CG-CE2 3.74Å; Y327-K374 CarbonylContact C-O 3.47Å; Y327-K374 VanDerWaalsContact CA-O 3.25Å; Y327-K374 WeakPolarHBondContact CA-O 3.15Å; Y327-K374 HydrophobicContact CD1-CB 4.02Å; Y327-K374 HydrophobicContact CE1-CB 4.26Å; Y327-K374 HydrophobicContact CE1-CD 4.08Å; Y327-Y376 HydrophobicContact CD1-CD2 4.27Å; Y327-Y376 AromaticContact CD1-CE2 3.76Å; Y327-Y376 HydrophobicContact CD1-CE2 3.76Å; Y327-Y376 HydrophobicContact CE1-CE2 4.03Å; Y327-F383 HydrophobicContact CD1-CD2 4.1Å; Y327-F383 AromaticContact CD1-CE2 3.78Å; Y327-F383 HydrophobicContact CD1-CE2 3.78Å; Y327-F383 HydrophobicContact CD2-CE2 4.27Å; Y327-F383 HydrophobicContact CE1-CD2 4.41Å; Y327-F383 HydrophobicContact CE1-CE2 4.16Å; Y327-F383 AromaticContact CG-CE2 3.83Å; Y327-F383 HydrophobicContact CG-CE2 3.83Å; Y327-E386 PolarHBondContact OH-O 3.24Å; Y327-F387 HydrophobicContact CE2-CD2 4.26Å; Y327-R388 PolarHBondContact OH-N 3.15Å; Y327-R388 VanDerWaalsContact OH-N 3.08Å; Y327-C391 HydrophobicContact CD2-CB 3.84Å; Y327-C391 HydrophobicContact CE2-CB 3.62Å; Y327-V392 PolarHBondContact N-O 3.06Å; Y327-V393 HydrophobicContact CD2-CG2 4.1Å; Y327-V393 CarbonylContact O-C 3.49Å; Y327-V393 WeakPolarHBondContact O-CA 3.4Å; Y327-F394 PolarHBondContact O-N 3.13Å
328F97.7Very high92.6Very high1 Ų136.6 Ų36.60%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-115.1108.3171.8-179-148.7000110.1S301 I305 A333 L337 L373 K374 H375 Y376 F394S301-F328 WeakPolarHBondContact O-CZ 3.37Å; I305-F328 HydrophobicContact CD1-CD1 4.47Å; I305-F328 HydrophobicContact CD1-CD2 3.79Å; I305-F328 HydrophobicContact CD1-CE1 4.18Å; I305-F328 HydrophobicContact CD1-CE2 3.46Å; I305-F328 VanDerWaalsContact CD1-CE2 3.46Å; I305-F328 HydrophobicContact CD1-CG 4.31Å; I305-F328 HydrophobicContact CD1-CZ 3.68Å; F328-A333 HydrophobicContact CD1-CB 3.72Å; F328-A333 HydrophobicContact CE1-CB 3.66Å; F328-A333 HydrophobicContact CG-CB 4.24Å; F328-A333 HydrophobicContact CZ-CB 4.13Å; F328-L337 HydrophobicContact CD1-CD1 3.93Å; F328-L337 HydrophobicContact CD1-CD2 4.45Å; F328-L337 HydrophobicContact CD1-CG 4.24Å; F328-L337 HydrophobicContact CE1-CD1 4.31Å; F328-L337 HydrophobicContact CE1-CD2 4.39Å; F328-L337 HydrophobicContact CE1-CG 4.15Å; F328-L373 HydrophobicContact CB-CD1 4.25Å; F328-K374 PolarHBondContact N-O 3.02Å; F328-H375 HydrophobicContact CB-CB 4.21Å; F328-H375 HydrophobicContact CD1-CB 4.48Å; F328-H375 CarbonylContact O-C 3.6Å; F328-H375 WeakPolarHBondContact O-CA 3.26Å; F328-Y376 PolarHBondContact O-N 3.46Å; F328-F394 WeakPolarHBondContact CA-O 3.44Å; F328-F394 HydrophobicContact CD2-CB 3.81Å
329I97.4Very high93Very high0 Ų032 Ų320%019%0.194CC..EExtended strand (participates in β ladder)trans-113.2107.9-170.3-51.7174.8000109.7Y376 I379 F383 V393 F394 T395 D404 F408I329-Y376 WeakPolarHBondContact CA-O 3.42Å; I329-I379 HydrophobicContact CD1-CG2 4.11Å; I329-I379 HydrophobicContact CG2-CG2 4.24Å; I329-F383 HydrophobicContact CD1-CD2 3.96Å; I329-F383 HydrophobicContact CD1-CE1 4.16Å; I329-F383 HydrophobicContact CD1-CE2 3.56Å; I329-F383 HydrophobicContact CD1-CG 4.42Å; I329-F383 HydrophobicContact CD1-CZ 3.65Å; I329-F383 HydrophobicContact CG1-CE2 4.4Å; I329-V393 HydrophobicContact CD1-CG1 3.82Å; I329-V393 HydrophobicContact CG1-CG1 4.35Å; I329-F394 PolarHBondContact N-O 3.14Å; I329-T395 WeakPolarHBondContact O-CA 3.5Å; I329-T395 WeakPolarHBondContact O-CB 3.22Å; I329-T395 PolarHBondContact O-OG1 2.93Å; I329-D404 HydrophobicContact CG2-CB 4.23Å; I329-D404 WeakPolarHBondContact CG2-OD2 3.27Å; I329-F408 HydrophobicContact CD1-CE2 3.77Å; I329-F408 HydrophobicContact CD1-CZ 3.73Å
330S97.2Very high93.4Very high1 Ų131.6 Ų31.61%0.00719%0.191CC..  trans-163.2141.1176.5159.30000109E139 V332 A333 Y376 P377E139-S330 WeakPolarHBondContact OE1-CB 3.36Å; E139-S330 PolarHBondContact OE1-OG 2.83Å; S330-V332 PolarHBondContact O-N 3.26Å; S330-V332 VanDerWaalsContact OG-CG2 3.23Å; S330-V332 WeakPolarHBondContact OG-CG2 3.34Å; S330-V332 PolarHBondContact OG-N 3.31Å; S330-A333 VanDerWaalsContact O-CB 3.25Å; S330-A333 WeakPolarHBondContact O-CB 3.33Å; S330-A333 PolarHBondContact O-N 3.49Å; S330-Y376 PolarHBondContact N-O 2.99Å; S330-P377 CarbonylContact C-O 3.58Å; S330-P377 WeakPolarHBondContact O-CA 3.49Å
331P96.3Very high93.8Very high38 Ų3826.6 Ų26.625%0.24716%0.163CC..THydrogen-bonded Turntrans-58.5-20.7178.525-35.2000112.9E139 N142 F143 P377E139-P331 HydrophobicContact CB-CG 4.25Å; E139-P331 HydrophobicContact CG-CG 3.95Å; N142-P331 HydrophobicContact CB-CG 4.31Å; F143-P331 HydrophobicContact CE1-CG 3.99Å; P331-P377 VanDerWaalsContact CA-O 3.29Å; P331-P377 WeakPolarHBondContact CA-O 3.16Å; P331-P377 VanDerWaalsContact N-O 3.11Å
332V97.3Very high94.3Very high9 Ų931 Ų316%0.05519%0.186CC..THydrogen-bonded Turntrans-112.410.7-178.8-62.80000113L135 E138 E139 S330 N334 S335 S336L135-V332 HydrophobicContact CB-CB 4.01Å; L135-V332 HydrophobicContact CB-CG1 4.18Å; L135-V332 HydrophobicContact CB-CG2 4.09Å; L135-V332 HydrophobicContact CD1-CB 4.34Å; L135-V332 HydrophobicContact CD2-CB 3.98Å; L135-V332 HydrophobicContact CD2-CG1 3.93Å; L135-V332 HydrophobicContact CG-CB 4.31Å; E138-V332 HydrophobicContact CB-CG1 4.35Å; E139-V332 HydrophobicContact CB-CG1 4.48Å; E139-V332 HydrophobicContact CB-CG2 3.97Å; S330-V332 PolarHBondContact O-N 3.26Å; S330-V332 VanDerWaalsContact OG-CG2 3.23Å; S330-V332 WeakPolarHBondContact OG-CG2 3.34Å; S330-V332 PolarHBondContact OG-N 3.31Å; V332-N334 PolarHBondContact O-N 3.05Å; V332-S335 PolarHBondContact O-N 3.17Å; V332-S336 VanDerWaalsContact O-CB 3.29Å; V332-S336 WeakPolarHBondContact O-CB 3.31Å; V332-S336 PolarHBondContact O-N 2.97Å
333A96.3Very high95.2Very high0 Ų029.5 Ų29.50%017%0.166CC..Hα-helixtrans-56.3-47.5-175.600000113.2F328 S330 S336 L337 H375F328-A333 HydrophobicContact CD1-CB 3.72Å; F328-A333 HydrophobicContact CE1-CB 3.66Å; F328-A333 HydrophobicContact CG-CB 4.24Å; F328-A333 HydrophobicContact CZ-CB 4.13Å; S330-A333 VanDerWaalsContact O-CB 3.25Å; S330-A333 WeakPolarHBondContact O-CB 3.33Å; S330-A333 PolarHBondContact O-N 3.49Å; A333-S336 PolarHBondContact O-N 3.47Å; A333-L337 VanDerWaalsContact O-CG 3.31Å; A333-L337 WeakPolarHBondContact O-CG 3.33Å; A333-L337 PolarHBondContact O-N 3.29Å; A333-L337 VanDerWaalsContact O-N 3.1Å; A333-H375 HydrophobicContact CB-CB 4.14Å
334N96.1Very high95.6Very high66 Ų6624.3 Ų24.335%0.35313%0.13SC..Hα-helixtrans-61.4-53-179.4-175.263.5000111.1V332 S336 L337 E338 H375V332-N334 PolarHBondContact O-N 3.05Å; N334-S336 VanDerWaalsContact C-N 3.31Å; N334-S336 PolarHBondContact O-N 2.9Å; N334-L337 PolarHBondContact O-N 3.44Å; N334-E338 PolarHBondContact ND2-OE1 3.42Å; N334-E338 PolarHBondContact ND2-OE2 3.11Å; N334-E338 WeakPolarHBondContact O-CG 3.31Å; N334-E338 PolarHBondContact O-N 2.75Å; N334-H375 PolarHBondContact OD1-NE2 3.15Å; N334-H375 VanDerWaalsContact OD1-NE2 3.12Å
335S97.2Very high95.8Very high45 Ų4529.2 Ų29.232%0.31515%0.153SC..Hα-helixtrans-61.4-38-179.7-55.70000112.6V332 E338 F339V332-S335 PolarHBondContact O-N 3.17Å; S335-E338 PolarHBondContact O-N 2.82Å; S335-F339 WeakPolarHBondContact O-CB 3.21Å; S335-F339 VanDerWaalsContact O-CD2 3.3Å; S335-F339 WeakPolarHBondContact O-CD2 3.37Å; S335-F339 VanDerWaalsContact O-CG 3.29Å; S335-F339 WeakPolarHBondContact O-CG 3.39Å; S335-F339 PolarHBondContact O-N 3.15Å
336S96.8Very high96Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-60-50.6175.3175.20000111.8S301 S302 Y306 V332 A333 N334 F339 S340S301-S336 WeakPolarHBondContact O-CB 3.42Å; S301-S336 PolarHBondContact O-OG 2.62Å; S302-S336 WeakPolarHBondContact OG-CB 3.17Å; S302-S336 PolarHBondContact OG-OG 3.34Å; Y306-S336 PolarHBondContact OH-O 2.65Å; Y306-S336 VanDerWaalsContact OH-O 3.07Å; Y306-S336 PolarHBondContact OH-OG 3.41Å; V332-S336 VanDerWaalsContact O-CB 3.29Å; V332-S336 WeakPolarHBondContact O-CB 3.31Å; V332-S336 PolarHBondContact O-N 2.97Å; A333-S336 PolarHBondContact O-N 3.47Å; N334-S336 VanDerWaalsContact C-N 3.31Å; N334-S336 PolarHBondContact O-N 2.9Å; S336-F339 PolarHBondContact O-N 2.79Å; S336-S340 PolarHBondContact O-N 2.76Å; S336-S340 VanDerWaalsContact O-N 3.13Å
337L96.1Very high96.1Very high6 Ų629 Ų293%0.03115%0.149CC..Hα-helixtrans-63.5-42.9178.4-66.8169.4000111.4L309 F328 A333 N334 S340 Q341 I368 H375L309-L337 HydrophobicContact CD1-CD2 4.15Å; F328-L337 HydrophobicContact CD1-CD1 3.93Å; F328-L337 HydrophobicContact CD1-CD2 4.45Å; F328-L337 HydrophobicContact CD1-CG 4.24Å; F328-L337 HydrophobicContact CE1-CD1 4.31Å; F328-L337 HydrophobicContact CE1-CD2 4.39Å; F328-L337 HydrophobicContact CE1-CG 4.15Å; A333-L337 VanDerWaalsContact O-CG 3.31Å; A333-L337 WeakPolarHBondContact O-CG 3.33Å; A333-L337 PolarHBondContact O-N 3.29Å; A333-L337 VanDerWaalsContact O-N 3.1Å; N334-L337 PolarHBondContact O-N 3.44Å; L337-S340 WeakPolarHBondContact O-CB 3.3Å; L337-S340 PolarHBondContact O-N 2.94Å; L337-S340 PolarHBondContact O-OG 3.44Å; L337-Q341 PolarHBondContact O-N 2.89Å; L337-I368 HydrophobicContact CD1-CD1 3.88Å; L337-H375 HydrophobicContact CD1-CB 4.3Å
338E95.5Very high96Very high97 Ų9730 Ų3045%0.45316%0.155SC..Hα-helixtrans-61.5-45.8175.9-73.6175.4174.500112.2N334 S335 S340 Q341 I342N334-E338 PolarHBondContact ND2-OE1 3.42Å; N334-E338 PolarHBondContact ND2-OE2 3.11Å; N334-E338 WeakPolarHBondContact O-CG 3.31Å; N334-E338 PolarHBondContact O-N 2.75Å; S335-E338 PolarHBondContact O-N 2.82Å; E338-S340 PolarHBondContact O-N 3.37Å; E338-Q341 WeakPolarHBondContact O-CA 3.46Å; E338-Q341 WeakPolarHBondContact O-CB 3.22Å; E338-Q341 PolarHBondContact O-N 2.91Å; E338-I342 HydrophobicContact CB-CD1 4.33Å; E338-I342 WeakPolarHBondContact O-CG1 3.43Å; E338-I342 PolarHBondContact O-N 3.41Å
339F96Very high95.9Very high41 Ų4136.2 Ų36.218%0.1818%0.184CC..Hα-helixtrans-61.4-33.5177.8-74.7-31.3000113Q131 L135 S335 S336 Q341 I342 F343Q131-F339 HydrophobicContact CB-CD2 4.16Å; Q131-F339 HydrophobicContact CB-CE2 3.81Å; Q131-F339 HydrophobicContact CB-CZ 4.02Å; Q131-F339 HydrophobicContact CG-CZ 4.37Å; L135-F339 HydrophobicContact CD1-CD2 3.65Å; L135-F339 HydrophobicContact CD1-CE2 3.81Å; L135-F339 HydrophobicContact CD2-CE2 4.18Å; L135-F339 HydrophobicContact CG-CD2 4.3Å; L135-F339 HydrophobicContact CG-CE2 4.01Å; S335-F339 WeakPolarHBondContact O-CB 3.21Å; S335-F339 VanDerWaalsContact O-CD2 3.3Å; S335-F339 WeakPolarHBondContact O-CD2 3.37Å; S335-F339 VanDerWaalsContact O-CG 3.29Å; S335-F339 WeakPolarHBondContact O-CG 3.39Å; S335-F339 PolarHBondContact O-N 3.15Å; S336-F339 PolarHBondContact O-N 2.79Å; F339-Q341 PolarHBondContact O-N 2.86Å; F339-I342 HydrophobicContact CD1-CD1 4.18Å; F339-I342 PolarHBondContact O-N 3.3Å; F339-F343 HydrophobicContact CB-CD2 3.95Å; F339-F343 HydrophobicContact CB-CE2 3.82Å; F339-F343 AromaticContact CD1-CE2 3.79Å; F339-F343 HydrophobicContact CD1-CE2 3.79Å; F339-F343 HydrophobicContact CD1-CZ 4.15Å; F339-F343 HydrophobicContact CG-CD2 4.45Å; F339-F343 AromaticContact CG-CE2 3.83Å; F339-F343 HydrophobicContact CG-CE2 3.83Å; F339-F343 VanDerWaalsContact O-CD2 3.29Å; F339-F343 WeakPolarHBondContact O-CD2 3.5Å; F339-F343 PolarHBondContact O-N 3.38Å
340S94.3Very high95.6Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-61.9-30.9173.781.70000112.6S336 L337 E338 F362 H364S336-S340 PolarHBondContact O-N 2.76Å; S336-S340 VanDerWaalsContact O-N 3.13Å; L337-S340 WeakPolarHBondContact O-CB 3.3Å; L337-S340 PolarHBondContact O-N 2.94Å; L337-S340 PolarHBondContact O-OG 3.44Å; E338-S340 PolarHBondContact O-N 3.37Å; S340-F362 WeakPolarHBondContact O-CE2 3.44Å; S340-H364 PolarHBondContact OG-CE1 3.28Å; S340-H364 PolarHBondContact OG-NE2 3.22Å
341Q93.5Very high95.5Very high44 Ų4442.7 Ų42.721%0.20622%0.218CC..Hα-helixtrans-84.6-36177.3-53.4-67.8-1.200111.9L337 E338 F339 F362 H364L337-Q341 PolarHBondContact O-N 2.89Å; E338-Q341 WeakPolarHBondContact O-CA 3.46Å; E338-Q341 WeakPolarHBondContact O-CB 3.22Å; E338-Q341 PolarHBondContact O-N 2.91Å; F339-Q341 PolarHBondContact O-N 2.86Å; Q341-F362 PolarHBondContact NE2-O 3.29Å; Q341-H364 PolarHBondContact NE2-NE2 2.67Å
342I94.8Very high95.4Very high101 Ų10143 Ų4352%0.51822%0.216SC..Hα-helixtrans-69.8-46-177.8-68.8164.1000111.5E338 F339 A344E338-I342 HydrophobicContact CB-CD1 4.33Å; E338-I342 WeakPolarHBondContact O-CG1 3.43Å; E338-I342 PolarHBondContact O-N 3.41Å; F339-I342 HydrophobicContact CD1-CD1 4.18Å; F339-I342 PolarHBondContact O-N 3.3Å; I342-A344 PolarHBondContact O-N 3.42Å
343F96.1Very high95.2Very high13 Ų1344.3 Ų44.36%0.05723%0.226CC..THydrogen-bonded Turntrans-82.842.3-175.9-63.2-49000113.4E127 P128 Q131 L220 F339 E345 W346E127-F343 HydrophobicContact CG-CE1 3.66Å; E127-F343 HydrophobicContact CG-CZ 3.93Å; P128-F343 HydrophobicContact CB-CB 4.49Å; P128-F343 HydrophobicContact CB-CD2 3.79Å; P128-F343 HydrophobicContact CB-CE2 4.16Å; P128-F343 HydrophobicContact CB-CG 4.1Å; P128-F343 HydrophobicContact CG-CB 4.16Å; P128-F343 HydrophobicContact CG-CD1 4.17Å; P128-F343 HydrophobicContact CG-CD2 4.1Å; P128-F343 HydrophobicContact CG-CG 3.89Å; Q131-F343 HydrophobicContact CB-CE2 4.08Å; Q131-F343 HydrophobicContact CB-CZ 4.17Å; Q131-F343 HydrophobicContact CG-CE2 4.29Å; Q131-F343 HydrophobicContact CG-CZ 3.87Å; L220-F343 HydrophobicContact CD1-CB 4.41Å; L220-F343 HydrophobicContact CD2-CB 4.18Å; L220-F343 HydrophobicContact CD2-CD2 4.44Å; F339-F343 HydrophobicContact CB-CD2 3.95Å; F339-F343 HydrophobicContact CB-CE2 3.82Å; F339-F343 AromaticContact CD1-CE2 3.79Å; F339-F343 HydrophobicContact CD1-CE2 3.79Å; F339-F343 HydrophobicContact CD1-CZ 4.15Å; F339-F343 HydrophobicContact CG-CD2 4.45Å; F339-F343 AromaticContact CG-CE2 3.83Å; F339-F343 HydrophobicContact CG-CE2 3.83Å; F339-F343 VanDerWaalsContact O-CD2 3.29Å; F339-F343 WeakPolarHBondContact O-CD2 3.5Å; F339-F343 PolarHBondContact O-N 3.38Å; F343-E345 VanDerWaalsContact C-OE2 3.3Å; F343-E345 WeakPolarHBondContact CA-OE2 3.34Å; F343-E345 PolarHBondContact O-N 3.43Å; F343-W346 PolarHBondContact O-N 3.28Å; F343-W346 VanDerWaalsContact O-N 3.11Å
344A94.9Very high95Very high9 Ų947.7 Ų47.77%0.07424%0.241CC..G310 helixtrans-61.5-30.4-176.500000113I342 W346 L347 Q352 V355 P361I342-A344 PolarHBondContact O-N 3.42Å; A344-W346 PolarHBondContact O-N 3.39Å; A344-W346 VanDerWaalsContact O-N 3.15Å; A344-L347 HydrophobicContact CB-CD1 4.3Å; A344-L347 WeakPolarHBondContact O-CB 3.47Å; A344-L347 PolarHBondContact O-N 2.67Å; A344-L347 VanDerWaalsContact O-N 3.07Å; A344-Q352 VanDerWaalsContact O-CG 3.25Å; A344-Q352 WeakPolarHBondContact O-CG 3.32Å; A344-V355 HydrophobicContact CB-CB 4.44Å; A344-V355 HydrophobicContact CB-CG2 3.56Å; A344-P361 HydrophobicContact CB-CG 4.36Å
345E94.6Very high94.8Very high114 Ų11447.7 Ų47.753%0.53324%0.243SC..G310 helixtrans-64.6-15.3178.273.8-79.2-168.900113.7F343 Q352F343-E345 VanDerWaalsContact C-OE2 3.3Å; F343-E345 WeakPolarHBondContact CA-OE2 3.34Å; F343-E345 PolarHBondContact O-N 3.43Å; E345-Q352 PolarHBondContact O-NE2 3.08Å
346W96.6Very high94.5Very high24 Ų2454.3 Ų54.39%0.09126%0.262CS..G310 helixtrans-98.30.7177.4-59.483.1000113.3T126 P128 Y199 L220 Q248 F343 A344T126-W346 HydrophobicContact CG2-CH2 3.87Å; T126-W346 HydrophobicContact CG2-CZ3 3.69Å; P128-W346 HydrophobicContact CG-CB 4.22Å; P128-W346 HydrophobicContact CG-CD2 3.55Å; P128-W346 HydrophobicContact CG-CE3 4.13Å; P128-W346 HydrophobicContact CG-CG 3.54Å; P128-W346 HydrophobicContact CG-CZ2 4.41Å; Y199-W346 AromaticContact CD1-CZ3 3.79Å; Y199-W346 HydrophobicContact CD1-CZ3 3.79Å; Y199-W346 AromaticContact CD2-CE3 3.71Å; Y199-W346 HydrophobicContact CD2-CE3 3.71Å; Y199-W346 AromaticContact CD2-CZ3 3.61Å; Y199-W346 HydrophobicContact CD2-CZ3 3.61Å; Y199-W346 HydrophobicContact CE1-CE3 4.07Å; Y199-W346 AromaticContact CE1-CZ3 3.59Å; Y199-W346 HydrophobicContact CE1-CZ3 3.59Å; Y199-W346 HydrophobicContact CE2-CD2 4.29Å; Y199-W346 AromaticContact CE2-CE3 3.19Å; Y199-W346 HydrophobicContact CE2-CE3 3.19Å; Y199-W346 AromaticContact CE2-CZ3 3.44Å; Y199-W346 HydrophobicContact CE2-CZ3 3.44Å; Y199-W346 VanDerWaalsContact CE2-CZ3 3.44Å; Y199-W346 HydrophobicContact CG-CE3 4.35Å; Y199-W346 AromaticContact CG-CZ3 3.78Å; Y199-W346 HydrophobicContact CG-CZ3 3.78Å; Y199-W346 AromaticContact CZ-CE3 3.37Å; Y199-W346 AromaticContact CZ-CZ3 3.4Å; Y199-W346 VanDerWaalsContact CZ-CZ3 3.4Å; L220-W346 HydrophobicContact CD1-CB 3.67Å; Q248-W346 WeakPolarHBondContact CB-O 3.41Å; Q248-W346 PolarHBondContact N-O 3.18Å; F343-W346 PolarHBondContact O-N 3.28Å; F343-W346 VanDerWaalsContact O-N 3.11Å; A344-W346 PolarHBondContact O-N 3.39Å; A344-W346 VanDerWaalsContact O-N 3.15Å
347L96.3Very high94.2Very high0 Ų060 Ų600%029%0.292CS..BIsolated β-bridgetrans-88.8174.5-178.8-59.6175.3000112.5L220 H246 A344 K351 Q352 P361 F362L220-L347 HydrophobicContact CD1-CD2 3.66Å; L220-L347 HydrophobicContact CD1-CG 4.39Å; H246-L347 HydrophobicContact CB-CD2 4.41Å; H246-L347 CarbonylContact O-C 3.58Å; H246-L347 WeakPolarHBondContact O-CA 3.38Å; H246-L347 WeakPolarHBondContact O-CB 3.33Å; H246-L347 WeakPolarHBondContact O-CD2 3.49Å; A344-L347 HydrophobicContact CB-CD1 4.3Å; A344-L347 WeakPolarHBondContact O-CB 3.47Å; A344-L347 PolarHBondContact O-N 2.67Å; A344-L347 VanDerWaalsContact O-N 3.07Å; L347-K351 HydrophobicContact CB-CB 3.84Å; L347-K351 HydrophobicContact CB-CD 4.34Å; L347-K351 HydrophobicContact CD1-CB 3.87Å; L347-K351 HydrophobicContact CD1-CD 4.11Å; L347-K351 HydrophobicContact CD2-CD 4.44Å; L347-K351 HydrophobicContact CG-CB 4.48Å; L347-Q352 PolarHBondContact O-NE2 3.4Å; L347-P361 HydrophobicContact CD1-CB 3.65Å; L347-P361 HydrophobicContact CD1-CG 4.06Å; L347-F362 HydrophobicContact CD1-CD2 4.35Å; L347-F362 HydrophobicContact CD1-CE2 3.59Å; L347-F362 HydrophobicContact CD1-CZ 4.23Å; L347-F362 HydrophobicContact CD2-CE2 3.76Å; L347-F362 HydrophobicContact CD2-CZ 3.69Å; L347-F362 HydrophobicContact CG-CE2 4.36Å
348C95.5Very high93.9Very high20 Ų2065.5 Ų65.514%0.13533%0.328CS..  trans-66.4156.2171.870.10000112.1H246 N350 K351 Q352H246-C348 PolarHBondContact O-N 3.16Å; C348-N350 PolarHBondContact O-N 2.8Å; C348-N350 VanDerWaalsContact O-N 3.11Å; C348-K351 PolarHBondContact O-N 3.17Å; C348-Q352 PolarHBondContact O-N 3.05Å
349H94.3Very high93.7Very high132 Ų13265.6 Ų65.661%0.61133%0.329SS*.Hα-helixtrans-53.5-37.7-175.8-176.3-80.9000113K351 Q352 S353H349-K351 VanDerWaalsContact C-N 3.32Å; H349-K351 PolarHBondContact O-N 2.87Å; H349-Q352 PolarHBondContact O-N 2.65Å; H349-S353 PolarHBondContact CE1-OG 3.26Å; H349-S353 PolarHBondContact ND1-OG 2.94Å; H349-S353 WeakPolarHBondContact O-CB 3.45Å; H349-S353 PolarHBondContact O-N 3.09Å; H349-S353 PolarHBondContact O-OG 3.29Å
350N92.9Very high93.5Very high126 Ų12666.7 Ų66.767%0.67434%0.34SS*.Hα-helixtrans-61.5-39.8178.4-68.6-8.9000112.3C348C348-N350 PolarHBondContact O-N 2.8Å; C348-N350 VanDerWaalsContact O-N 3.11Å
351K94Very high93.5Very high12 Ų1266.9 Ų66.95%0.05234%0.341CS..Hα-helixtrans-76.7-39.9177.7-71.6-179177.2-790111.7H246 E310 L347 C348 H349 S353 K354 P361 F362H246-K351 HydrophobicContact CB-CD 3.95Å; E310-K351 IonicContact OE1-NZ 2.75Å; E310-K351 PolarHBondContact OE1-NZ 3.12Å; E310-K351 IonicContact OE2-NZ 2.71Å; E310-K351 PolarHBondContact OE2-NZ 3.09Å; L347-K351 HydrophobicContact CB-CB 3.84Å; L347-K351 HydrophobicContact CB-CD 4.34Å; L347-K351 HydrophobicContact CD1-CB 3.87Å; L347-K351 HydrophobicContact CD1-CD 4.11Å; L347-K351 HydrophobicContact CD2-CD 4.44Å; L347-K351 HydrophobicContact CG-CB 4.48Å; C348-K351 PolarHBondContact O-N 3.17Å; H349-K351 VanDerWaalsContact C-N 3.32Å; H349-K351 PolarHBondContact O-N 2.87Å; K351-S353 PolarHBondContact O-N 3.41Å; K351-K354 WeakPolarHBondContact O-CB 3.44Å; K351-K354 PolarHBondContact O-N 3.45Å; K351-P361 HydrophobicContact CB-CB 4.01Å; K351-P361 PolarHBondContact NZ-O 2.79Å; K351-F362 HydrophobicContact CD-CE1 4.19Å; K351-F362 HydrophobicContact CD-CE2 4.44Å; K351-F362 HydrophobicContact CD-CZ 4.1Å
352Q94.1Very high93.5Very high43 Ų4364.8 Ų64.820%0.20133%0.331CS..Hα-helixtrans-55.8-41.2172-68.6-179.89.200111.5A344 E345 L347 C348 H349 K354 V355A344-Q352 VanDerWaalsContact O-CG 3.25Å; A344-Q352 WeakPolarHBondContact O-CG 3.32Å; E345-Q352 PolarHBondContact O-NE2 3.08Å; L347-Q352 PolarHBondContact O-NE2 3.4Å; C348-Q352 PolarHBondContact O-N 3.05Å; H349-Q352 PolarHBondContact O-N 2.65Å; Q352-K354 VanDerWaalsContact C-N 3.28Å; Q352-K354 PolarHBondContact O-N 2.99Å; Q352-V355 PolarHBondContact O-N 2.78Å; Q352-V355 VanDerWaalsContact O-N 3.13Å
353S94.1Very high93.4Very high38 Ų3860.7 Ų60.727%0.26631%0.311SS..Hα-helixtrans-59.9-35.7-179.6-57.40000113.2H349 K351 V355 Y356H349-S353 PolarHBondContact CE1-OG 3.26Å; H349-S353 PolarHBondContact ND1-OG 2.94Å; H349-S353 WeakPolarHBondContact O-CB 3.45Å; H349-S353 PolarHBondContact O-N 3.09Å; H349-S353 PolarHBondContact O-OG 3.29Å; K351-S353 PolarHBondContact O-N 3.41Å; S353-V355 VanDerWaalsContact C-N 3.3Å; S353-V355 PolarHBondContact O-N 3.06Å; S353-Y356 PolarHBondContact O-N 2.9Å
354K92.5Very high93.3Very high71 Ų7160.2 Ų60.231%0.30931%0.309SS..Hα-helixtrans-63.7-36.6177.8-68.3-174.4175.6-1730112.1K351 Q352 Y356 L357 E359K351-K354 WeakPolarHBondContact O-CB 3.44Å; K351-K354 PolarHBondContact O-N 3.45Å; Q352-K354 VanDerWaalsContact C-N 3.28Å; Q352-K354 PolarHBondContact O-N 2.99Å; K354-Y356 VanDerWaalsContact C-N 3.26Å; K354-Y356 PolarHBondContact O-N 2.71Å; K354-L357 CarbonylContact O-C 3.31Å; K354-L357 WeakPolarHBondContact O-CA 3.33Å; K354-L357 WeakPolarHBondContact O-CB 3.1Å; K354-L357 PolarHBondContact O-N 2.95Å; K354-E359 CarbonylContact C-O 3.59Å; K354-E359 HydrophobicContact CB-CB 4.02Å; K354-E359 WeakPolarHBondContact O-CB 3.49Å; K354-E359 PolarHBondContact O-N 3.12Å
355V91.3Very high93.2Very high65 Ų6560.6 Ų60.639%0.39431%0.312SS..Hα-helixtrans-67.6-28.8180-175.30000112.1A344 Q352 S353 L357 P361A344-V355 HydrophobicContact CB-CB 4.44Å; A344-V355 HydrophobicContact CB-CG2 3.56Å; Q352-V355 PolarHBondContact O-N 2.78Å; Q352-V355 VanDerWaalsContact O-N 3.13Å; S353-V355 VanDerWaalsContact C-N 3.3Å; S353-V355 PolarHBondContact O-N 3.06Å; V355-L357 PolarHBondContact O-N 2.96Å; V355-P361 HydrophobicContact CG2-CB 4.18Å; V355-P361 HydrophobicContact CG2-CG 4.03Å
356Y89.9Confident93Very high185 Ų18559.4 Ų59.473%0.72531%0.307SS*.THydrogen-bonded Turntrans-69.3-18.3170.9-60.9-54.1000113.3S353 K354 P358S353-Y356 PolarHBondContact O-N 2.9Å; K354-Y356 VanDerWaalsContact C-N 3.26Å; K354-Y356 PolarHBondContact O-N 2.71Å; Y356-P358 WeakPolarHBondContact O-CD 3.46Å
357L91.5Very high92.7Very high118 Ų11858.5 Ų58.562%0.61830%0.304SS*.THydrogen-bonded Turntrans-100.723.6176.5-60.8178.5000113.1K354 V355 E359K354-L357 CarbonylContact O-C 3.31Å; K354-L357 WeakPolarHBondContact O-CA 3.33Å; K354-L357 WeakPolarHBondContact O-CB 3.1Å; K354-L357 PolarHBondContact O-N 2.95Å; V355-L357 PolarHBondContact O-N 2.96Å; L357-E359 HydrophobicContact CB-CG 4.25Å; L357-E359 PolarHBondContact O-N 2.88Å; L357-E359 VanDerWaalsContact O-N 3.12Å
358P88.8Confident92.6Very high122 Ų12260.8 Ų60.879%0.79232%0.316SS*.THydrogen-bonded Turntrans3731.9-162.6-18.3-6.8000117.9Y356Y356-P358 WeakPolarHBondContact O-CD 3.46Å
359E91Very high92.4Very high100 Ų10067.2 Ų67.247%0.46734%0.344SS..  trans-98.8144177.4-69.5176.9-172.700111K354 L357K354-E359 CarbonylContact C-O 3.59Å; K354-E359 HydrophobicContact CB-CB 4.02Å; K354-E359 WeakPolarHBondContact O-CB 3.49Å; K354-E359 PolarHBondContact O-N 3.12Å; L357-E359 HydrophobicContact CB-CG 4.25Å; L357-E359 PolarHBondContact O-N 2.88Å; L357-E359 VanDerWaalsContact O-N 3.12Å
360P92.1Very high92.1Very high63 Ų6364.2 Ų64.241%0.40934%0.335SS..  trans-65131.5177.126.3-32.9000111F362 A365P360-F362 PolarHBondContact O-N 3.11Å; P360-A365 HydrophobicContact CB-CB 3.75Å; P360-A365 HydrophobicContact CG-CB 4.11Å
361P93.9Very high92Very high5 Ų563.5 Ų63.53%0.03233%0.331CS..SBendtrans-64.3-25.3-179.221.4-32000113.2A344 L347 K351 V355A344-P361 HydrophobicContact CB-CG 4.36Å; L347-P361 HydrophobicContact CD1-CB 3.65Å; L347-P361 HydrophobicContact CD1-CG 4.06Å; K351-P361 HydrophobicContact CB-CB 4.01Å; K351-P361 PolarHBondContact NZ-O 2.79Å; V355-P361 HydrophobicContact CG2-CB 4.18Å; V355-P361 HydrophobicContact CG2-CG 4.03Å
362F94.7Very high91.7Very high0 Ų065.7 Ų65.70%034%0.34CS..SBendtrans-118.9137.9175.2-65.4-92.7000113.2H246 Y306 S340 Q341 L347 K351 P360 H364 A365H246-F362 HydrophobicContact CB-CE1 3.5Å; H246-F362 VanDerWaalsContact CB-CE1 3.5Å; H246-F362 HydrophobicContact CB-CZ 3.57Å; H246-F362 AromaticContact CD2-CZ 3.94Å; H246-F362 AromaticContact CG-CE1 3.96Å; H246-F362 AromaticContact CG-CZ 3.9Å; Y306-F362 HydrophobicContact CG-CE1 4.44Å; S340-F362 WeakPolarHBondContact O-CE2 3.44Å; Q341-F362 PolarHBondContact NE2-O 3.29Å; L347-F362 HydrophobicContact CD1-CD2 4.35Å; L347-F362 HydrophobicContact CD1-CE2 3.59Å; L347-F362 HydrophobicContact CD1-CZ 4.23Å; L347-F362 HydrophobicContact CD2-CE2 3.76Å; L347-F362 HydrophobicContact CD2-CZ 3.69Å; L347-F362 HydrophobicContact CG-CE2 4.36Å; K351-F362 HydrophobicContact CD-CE1 4.19Å; K351-F362 HydrophobicContact CD-CE2 4.44Å; K351-F362 HydrophobicContact CD-CZ 4.1Å; P360-F362 PolarHBondContact O-N 3.11Å; F362-H364 VanDerWaalsContact C-N 3.26Å; F362-H364 WeakPolarHBondContact CB-CE1 3.07Å; F362-H364 VanDerWaalsContact CB-ND1 3.32Å; F362-H364 WeakPolarHBondContact CB-ND1 3.3Å; F362-H364 AromaticContact CG-CE1 3.67Å; F362-H364 PolarHBondContact O-N 3.3Å; F362-A365 PolarHBondContact O-N 2.61Å
363P92.4Very high91.8Very high15 Ų1563.7 Ų63.710%0.09733%0.331CS..THydrogen-bonded Turntrans-72-15.2-175.930.7-37000114E310 Y313 A365 E366 L367E310-P363 HydrophobicContact CB-CG 3.87Å; E310-P363 HydrophobicContact CG-CG 3.81Å; Y313-P363 HydrophobicContact CD1-CB 3.66Å; Y313-P363 HydrophobicContact CD1-CG 4.24Å; Y313-P363 HydrophobicContact CD2-CB 4.17Å; Y313-P363 HydrophobicContact CE1-CB 4.04Å; Y313-P363 HydrophobicContact CG-CB 3.73Å; Y313-P363 HydrophobicContact CG-CG 4.21Å; P363-A365 PolarHBondContact O-N 2.93Å; P363-A365 VanDerWaalsContact O-N 3.11Å; P363-E366 WeakPolarHBondContact O-CB 3.43Å; P363-E366 PolarHBondContact O-N 3.21Å; P363-L367 PolarHBondContact O-N 2.98Å
364H93.4Very high91.8Very high2 Ų263.7 Ų63.71%0.00933%0.326CS..Hα-helixtrans-61.7-21.117764.9-110.1000112.5L309 S340 Q341 F362 E366 L367 I368 L373L309-H364 HydrophobicContact CB-CB 4.23Å; L309-H364 HydrophobicContact CD1-CB 4.11Å; S340-H364 PolarHBondContact OG-CE1 3.28Å; S340-H364 PolarHBondContact OG-NE2 3.22Å; Q341-H364 PolarHBondContact NE2-NE2 2.67Å; F362-H364 VanDerWaalsContact C-N 3.26Å; F362-H364 WeakPolarHBondContact CB-CE1 3.07Å; F362-H364 VanDerWaalsContact CB-ND1 3.32Å; F362-H364 WeakPolarHBondContact CB-ND1 3.3Å; F362-H364 AromaticContact CG-CE1 3.67Å; F362-H364 PolarHBondContact O-N 3.3Å; H364-E366 VanDerWaalsContact C-N 3.29Å; H364-E366 PolarHBondContact O-N 3.44Å; H364-L367 PolarHBondContact O-N 3.28Å; H364-I368 WeakPolarHBondContact O-CD1 3.46Å; H364-I368 VanDerWaalsContact O-CG1 3.23Å; H364-I368 WeakPolarHBondContact O-CG1 3.49Å; H364-I368 PolarHBondContact O-N 3.37Å; H364-L373 HydrophobicContact CB-CD2 4.05Å
365A93Very high92Very high17 Ų1762.7 Ų62.714%0.1432%0.323CS..Hα-helixtrans-58-42.2170.400000111.8P360 F362 P363 I368 Q369P360-A365 HydrophobicContact CB-CB 3.75Å; P360-A365 HydrophobicContact CG-CB 4.11Å; F362-A365 PolarHBondContact O-N 2.61Å; P363-A365 PolarHBondContact O-N 2.93Å; P363-A365 VanDerWaalsContact O-N 3.11Å; A365-I368 PolarHBondContact O-N 3.28Å; A365-Q369 WeakPolarHBondContact O-CG 3.28Å; A365-Q369 PolarHBondContact O-N 3.31Å
366E90.9Very high92.2Very high90 Ų9060.6 Ų60.642%0.42131%0.308SS..Hα-helixtrans-71.6-37.3177.1-173.3173.8175.800111.6Y313 P363 H364 I368 Q369 T370Y313-E366 PolarHBondContact OH-OE1 3.01Å; Y313-E366 PolarHBondContact OH-OE2 2.86Å; P363-E366 WeakPolarHBondContact O-CB 3.43Å; P363-E366 PolarHBondContact O-N 3.21Å; H364-E366 VanDerWaalsContact C-N 3.29Å; H364-E366 PolarHBondContact O-N 3.44Å; E366-I368 PolarHBondContact O-N 3.4Å; E366-Q369 PolarHBondContact O-N 2.94Å; E366-T370 HydrophobicContact CG-CG2 4.32Å; E366-T370 WeakPolarHBondContact O-CB 3.29Å; E366-T370 WeakPolarHBondContact O-CG2 3.35Å; E366-T370 PolarHBondContact O-N 2.71Å; E366-T370 PolarHBondContact O-OG1 3.4Å
367L91Very high92.4Very high5 Ų555.9 Ų55.93%0.02630%0.3CS..Hα-helixtrans-59.5-36.7173.3-70.2177.1000112.3Y313 P363 H364 T370 N371 K372 L373Y313-L367 HydrophobicContact CD2-CD1 4.09Å; Y313-L367 HydrophobicContact CD2-CD2 3.58Å; Y313-L367 HydrophobicContact CD2-CG 3.61Å; Y313-L367 HydrophobicContact CE2-CD2 4.07Å; Y313-L367 HydrophobicContact CE2-CG 4.25Å; P363-L367 PolarHBondContact O-N 2.98Å; H364-L367 PolarHBondContact O-N 3.28Å; L367-T370 PolarHBondContact O-OG1 3.11Å; L367-N371 PolarHBondContact O-N 2.65Å; L367-K372 HydrophobicContact CD2-CB 3.86Å; L367-K372 HydrophobicContact CD2-CD 3.88Å; L367-K372 PolarHBondContact O-N 2.52Å; L367-L373 HydrophobicContact CB-CB 3.59Å; L367-L373 HydrophobicContact CB-CD2 4.48Å; L367-L373 PolarHBondContact O-N 3Å
368I93.2Very high92.4Very high48 Ų4851.2 Ų51.225%0.24628%0.277CS..Hα-helixtrans-70.5-48.5176.3-65.4160.3000110.1L337 H364 A365 E366 T370 N371 L373L337-I368 HydrophobicContact CD1-CD1 3.88Å; H364-I368 WeakPolarHBondContact O-CD1 3.46Å; H364-I368 VanDerWaalsContact O-CG1 3.23Å; H364-I368 WeakPolarHBondContact O-CG1 3.49Å; H364-I368 PolarHBondContact O-N 3.37Å; A365-I368 PolarHBondContact O-N 3.28Å; E366-I368 PolarHBondContact O-N 3.4Å; I368-T370 VanDerWaalsContact C-N 3.26Å; I368-T370 PolarHBondContact O-N 2.69Å; I368-N371 PolarHBondContact O-N 2.91Å; I368-L373 WeakPolarHBondContact CA-O 3.32Å; I368-L373 HydrophobicContact CD1-CD2 4.5Å; I368-L373 HydrophobicContact CG1-CB 4.34Å; I368-L373 HydrophobicContact CG1-CD2 4.09Å; I368-L373 HydrophobicContact CG1-CG 4.29Å
369Q91.3Very high92.6Very high155 Ų15545.9 Ų45.972%0.72424%0.242SC*.Hα-helixtrans-59.6-36.3178.5-71.6174.112.800112.8A365 E366 N371A365-Q369 WeakPolarHBondContact O-CG 3.28Å; A365-Q369 PolarHBondContact O-N 3.31Å; E366-Q369 PolarHBondContact O-N 2.94Å; Q369-N371 VanDerWaalsContact C-N 3.27Å; Q369-N371 PolarHBondContact O-N 2.75Å
370T89Confident92.3Very high69 Ų6946.6 Ų46.642%0.42325%0.245SC..THydrogen-bonded Turntrans-84.7517857.30000113.7E366 L367 I368 K372E366-T370 HydrophobicContact CG-CG2 4.32Å; E366-T370 WeakPolarHBondContact O-CB 3.29Å; E366-T370 WeakPolarHBondContact O-CG2 3.35Å; E366-T370 PolarHBondContact O-N 2.71Å; E366-T370 PolarHBondContact O-OG1 3.4Å; L367-T370 PolarHBondContact O-OG1 3.11Å; I368-T370 VanDerWaalsContact C-N 3.26Å; I368-T370 PolarHBondContact O-N 2.69Å; T370-K372 PolarHBondContact O-N 3.39Å; T370-K372 VanDerWaalsContact O-N 3.15Å
371N89.1Confident92.1Very high111 Ų11146 Ų4659%0.59425%0.251SS*.THydrogen-bonded Turntrans57.319.9-177-69.5-60.3000115L367 I368 Q369L367-N371 PolarHBondContact O-N 2.65Å; I368-N371 PolarHBondContact O-N 2.91Å; Q369-N371 VanDerWaalsContact C-N 3.27Å; Q369-N371 PolarHBondContact O-N 2.75Å
372K89.7Confident91.7Very high57 Ų5751.3 Ų51.325%0.24828%0.278CS..SBendtrans-78.8-38.4173.9-71.4-179.7179.8173.40111.4E317 F326 L367 T370E317-K372 IonicContact OE1-NZ 3.2Å; F326-K372 PolarHBondContact N-O 3.47Å; L367-K372 HydrophobicContact CD2-CB 3.86Å; L367-K372 HydrophobicContact CD2-CD 3.88Å; L367-K372 PolarHBondContact O-N 2.52Å; T370-K372 PolarHBondContact O-N 3.39Å; T370-K372 VanDerWaalsContact O-N 3.15Å
373L94.4Very high91.6Very high2 Ų251.7 Ų51.71%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-108.1115.8171.3178.765.5000109.3L309 F326 F328 H364 L367 I368L309-L373 HydrophobicContact CD1-CD2 4Å; L309-L373 HydrophobicContact CD2-CD1 4.16Å; L309-L373 HydrophobicContact CD2-CD2 4.04Å; F326-L373 HydrophobicContact CB-CD1 3.84Å; F326-L373 WeakPolarHBondContact O-CA 3.4Å; F328-L373 HydrophobicContact CB-CD1 4.25Å; H364-L373 HydrophobicContact CB-CD2 4.05Å; L367-L373 HydrophobicContact CB-CB 3.59Å; L367-L373 HydrophobicContact CB-CD2 4.48Å; L367-L373 PolarHBondContact O-N 3Å; I368-L373 WeakPolarHBondContact CA-O 3.32Å; I368-L373 HydrophobicContact CD1-CD2 4.5Å; I368-L373 HydrophobicContact CG1-CB 4.34Å; I368-L373 HydrophobicContact CG1-CD2 4.09Å; I368-L373 HydrophobicContact CG1-CG 4.29Å
374K95.3Very high91.3Very high37 Ų3755 Ų5516%0.16130%0.304CS..EExtended strand (participates in β ladder)trans-110.4135.7175.4-60.6-175.8175.7-167.10109F326 Y327 F328 Y376 E386F326-K374 PolarHBondContact O-N 3.42Å; Y327-K374 CarbonylContact C-O 3.47Å; Y327-K374 VanDerWaalsContact CA-O 3.25Å; Y327-K374 WeakPolarHBondContact CA-O 3.15Å; Y327-K374 HydrophobicContact CD1-CB 4.02Å; Y327-K374 HydrophobicContact CE1-CB 4.26Å; Y327-K374 HydrophobicContact CE1-CD 4.08Å; F328-K374 PolarHBondContact N-O 3.02Å; K374-Y376 HydrophobicContact CB-CE2 3.69Å; K374-E386 IonicContact NZ-OE2 3.94Å; K374-E386 PolarHBondContact NZ-OE2 3.48Å
375H95.6Very high91Very high51 Ų5159.5 Ų59.524%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-119.5142.7178.662.5-88000110.4F328 A333 N334 L337F328-H375 HydrophobicContact CB-CB 4.21Å; F328-H375 HydrophobicContact CD1-CB 4.48Å; F328-H375 CarbonylContact O-C 3.6Å; F328-H375 WeakPolarHBondContact O-CA 3.26Å; A333-H375 HydrophobicContact CB-CB 4.14Å; N334-H375 PolarHBondContact OD1-NE2 3.15Å; N334-H375 VanDerWaalsContact OD1-NE2 3.12Å; L337-H375 HydrophobicContact CD1-CB 4.3Å
376Y96.4Very high90.9Very high20 Ų2062.2 Ų62.28%0.07835%0.345CS..EExtended strand (participates in β ladder)trans-140145-177.8-61.7-80000110.5Y327 F328 I329 S330 K374 S378 D382 F383 E386Y327-Y376 HydrophobicContact CD1-CD2 4.27Å; Y327-Y376 AromaticContact CD1-CE2 3.76Å; Y327-Y376 HydrophobicContact CD1-CE2 3.76Å; Y327-Y376 HydrophobicContact CE1-CE2 4.03Å; F328-Y376 PolarHBondContact O-N 3.46Å; I329-Y376 WeakPolarHBondContact CA-O 3.42Å; S330-Y376 PolarHBondContact N-O 2.99Å; K374-Y376 HydrophobicContact CB-CE2 3.69Å; Y376-S378 VanDerWaalsContact C-N 3.26Å; Y376-S378 PolarHBondContact O-N 3.03Å; Y376-D382 HydrophobicContact CD1-CB 4.15Å; Y376-D382 HydrophobicContact CE1-CB 3.84Å; Y376-F383 HydrophobicContact CD1-CB 4.16Å; Y376-F383 HydrophobicContact CD2-CB 4.03Å; Y376-F383 AromaticContact CD2-CD2 3.6Å; Y376-F383 HydrophobicContact CD2-CD2 3.6Å; Y376-F383 HydrophobicContact CD2-CG 4.29Å; Y376-F383 HydrophobicContact CE2-CB 4.44Å; Y376-F383 AromaticContact CE2-CD2 3.86Å; Y376-F383 HydrophobicContact CE2-CD2 3.86Å; Y376-F383 HydrophobicContact CG-CB 3.86Å; Y376-F383 HydrophobicContact CG-CD2 4.28Å; Y376-E386 WeakPolarHBondContact OH-CB 3.32Å; Y376-E386 VanDerWaalsContact OH-CD 3.26Å; Y376-E386 PolarHBondContact OH-OE2 2.81Å
377P94.6Very high91Very high86 Ų8660.7 Ų60.756%0.55834%0.337SS*.SBendtrans-69.1-26.7178.327.9-34.6000112.8S330 P331S330-P377 CarbonylContact C-O 3.58Å; S330-P377 WeakPolarHBondContact O-CA 3.49Å; P331-P377 VanDerWaalsContact CA-O 3.29Å; P331-P377 WeakPolarHBondContact CA-O 3.16Å; P331-P377 VanDerWaalsContact N-O 3.11Å
378S91.8Very high91.1Very high20 Ų2068.9 Ų68.914%0.1437%0.368CS..SBendtrans-158.1165.8179.6-170.30000111.2R146 Y376 H380 D404R146-S378 PolarHBondContact NH1-OG 2.95Å; Y376-S378 VanDerWaalsContact C-N 3.26Å; Y376-S378 PolarHBondContact O-N 3.03Å; S378-H380 PolarHBondContact O-N 2.93Å; S378-D404 WeakPolarHBondContact CA-OD2 3.29Å; S378-D404 PolarHBondContact OG-OD2 3.41Å
379I91.9Very high91.1Very high10 Ų1071.5 Ų71.55%0.05138%0.379CS..SBendtrans-63.6-17168.459.9168.3000114.1L43 I329 F383 S384 D404 H407 F408L43-I379 HydrophobicContact CD1-CD1 3.49Å; L43-I379 VanDerWaalsContact CD1-CD1 3.49Å; L43-I379 HydrophobicContact CD1-CG1 4Å; I329-I379 HydrophobicContact CD1-CG2 4.11Å; I329-I379 HydrophobicContact CG2-CG2 4.24Å; I379-F383 HydrophobicContact CB-CD1 4.14Å; I379-F383 HydrophobicContact CB-CE1 4.41Å; I379-F383 HydrophobicContact CG2-CD1 4.36Å; I379-F383 HydrophobicContact CG2-CE1 4.26Å; I379-F383 WeakPolarHBondContact O-CD1 3.21Å; I379-S384 PolarHBondContact O-OG 3Å; I379-D404 HydrophobicContact CG2-CB 3.86Å; I379-D404 PolarHBondContact N-OD2 3.43Å; I379-H407 HydrophobicContact CD1-CB 3.89Å; I379-F408 HydrophobicContact CG2-CE2 3.65Å; I379-F408 HydrophobicContact CG2-CZ 3.78Å
380H85.8Confident91.2Very high115 Ų11566.2 Ų66.253%0.53236%0.358SS..SBendtrans-86.1150.4176-58.7-63.9000111.6S378S378-H380 PolarHBondContact O-N 2.93Å
381G86.7Confident91.6Very high52 Ų5263 Ų6354%0.53634%0.338SS..SBendtrans85.6-134.7178.800000112.5F383 S384G381-F383 PolarHBondContact O-N 3.14Å; G381-F383 VanDerWaalsContact O-N 3.12Å; G381-S384 WeakPolarHBondContact O-CB 3.29Å; G381-S384 PolarHBondContact O-N 2.94Å
382D85.8Confident92Very high115 Ų11557.7 Ų57.762%0.61531%0.31SS*.Hα-helixtrans-57.7-30.7-168.7-57.3-28.4000113.9Y376 S384 S385 E386Y376-D382 HydrophobicContact CD1-CB 4.15Å; Y376-D382 HydrophobicContact CE1-CB 3.84Å; D382-S384 VanDerWaalsContact C-N 3.25Å; D382-S384 PolarHBondContact O-N 2.97Å; D382-S385 PolarHBondContact O-N 3.2Å; D382-S385 PolarHBondContact O-OG 3.23Å; D382-E386 PolarHBondContact O-N 3.3Å
383F91.6Very high92.3Very high9 Ų955 Ų554%0.03930%0.298CS..Hα-helixtrans-55.5-42.8174.4176.5-105.1000111.7Y327 I329 Y376 I379 G381 S385 E386 F387 F408Y327-F383 HydrophobicContact CD1-CD2 4.1Å; Y327-F383 AromaticContact CD1-CE2 3.78Å; Y327-F383 HydrophobicContact CD1-CE2 3.78Å; Y327-F383 HydrophobicContact CD2-CE2 4.27Å; Y327-F383 HydrophobicContact CE1-CD2 4.41Å; Y327-F383 HydrophobicContact CE1-CE2 4.16Å; Y327-F383 AromaticContact CG-CE2 3.83Å; Y327-F383 HydrophobicContact CG-CE2 3.83Å; I329-F383 HydrophobicContact CD1-CD2 3.96Å; I329-F383 HydrophobicContact CD1-CE1 4.16Å; I329-F383 HydrophobicContact CD1-CE2 3.56Å; I329-F383 HydrophobicContact CD1-CG 4.42Å; I329-F383 HydrophobicContact CD1-CZ 3.65Å; I329-F383 HydrophobicContact CG1-CE2 4.4Å; Y376-F383 HydrophobicContact CD1-CB 4.16Å; Y376-F383 HydrophobicContact CD2-CB 4.03Å; Y376-F383 AromaticContact CD2-CD2 3.6Å; Y376-F383 HydrophobicContact CD2-CD2 3.6Å; Y376-F383 HydrophobicContact CD2-CG 4.29Å; Y376-F383 HydrophobicContact CE2-CB 4.44Å; Y376-F383 AromaticContact CE2-CD2 3.86Å; Y376-F383 HydrophobicContact CE2-CD2 3.86Å; Y376-F383 HydrophobicContact CG-CB 3.86Å; Y376-F383 HydrophobicContact CG-CD2 4.28Å; I379-F383 HydrophobicContact CB-CD1 4.14Å; I379-F383 HydrophobicContact CB-CE1 4.41Å; I379-F383 HydrophobicContact CG2-CD1 4.36Å; I379-F383 HydrophobicContact CG2-CE1 4.26Å; I379-F383 WeakPolarHBondContact O-CD1 3.21Å; G381-F383 PolarHBondContact O-N 3.14Å; G381-F383 VanDerWaalsContact O-N 3.12Å; F383-S385 VanDerWaalsContact C-N 3.28Å; F383-S385 PolarHBondContact O-N 3.01Å; F383-E386 PolarHBondContact O-N 3.09Å; F383-E386 VanDerWaalsContact O-N 3.17Å; F383-F387 HydrophobicContact CE1-CB 4.2Å; F383-F387 AromaticContact CE1-CD2 3.88Å; F383-F387 HydrophobicContact CE1-CD2 3.88Å; F383-F387 HydrophobicContact CE1-CE2 4.43Å; F383-F387 HydrophobicContact CE1-CG 4.08Å; F383-F387 HydrophobicContact CE2-CB 4.35Å; F383-F387 AromaticContact CE2-CD2 3.76Å; F383-F387 HydrophobicContact CE2-CD2 3.76Å; F383-F387 HydrophobicContact CE2-CG 4.44Å; F383-F387 HydrophobicContact CZ-CB 4.11Å; F383-F387 AromaticContact CZ-CD2 3.21Å; F383-F387 HydrophobicContact CZ-CD2 3.21Å; F383-F387 AromaticContact CZ-CE2 3.73Å; F383-F387 HydrophobicContact CZ-CE2 3.73Å; F383-F387 AromaticContact CZ-CG 3.85Å; F383-F387 HydrophobicContact CZ-CG 3.85Å; F383-F387 VanDerWaalsContact O-CB 3.25Å; F383-F387 WeakPolarHBondContact O-CB 3.5Å; F383-F387 PolarHBondContact O-N 3.42Å; F383-F408 HydrophobicContact CE1-CE1 4.43Å; F383-F408 AromaticContact CE1-CZ 3.92Å; F383-F408 HydrophobicContact CE1-CZ 3.92Å; F383-F408 HydrophobicContact CZ-CE1 4.27Å; F383-F408 AromaticContact CZ-CZ 3.78Å; F383-F408 HydrophobicContact CZ-CZ 3.78Å
384S86.8Confident92.5Very high84 Ų8454.9 Ų54.959%0.58730%0.298SS*.Hα-helixtrans-64.1-31.5-175.5-66.50000113I379 G381 D382I379-S384 PolarHBondContact O-OG 3Å; G381-S384 WeakPolarHBondContact O-CB 3.29Å; G381-S384 PolarHBondContact O-N 2.94Å; D382-S384 VanDerWaalsContact C-N 3.25Å; D382-S384 PolarHBondContact O-N 2.97Å
385S88.4Confident92.6Very high96 Ų9653.1 Ų53.167%0.67129%0.29SS*.Hα-helixtrans-79.2-27.1176.839.90000113.8D382 F383D382-S385 PolarHBondContact O-N 3.2Å; D382-S385 PolarHBondContact O-OG 3.23Å; F383-S385 VanDerWaalsContact C-N 3.28Å; F383-S385 PolarHBondContact O-N 3.01Å
386E90.1Very high92.5Very high74 Ų7450.8 Ų50.835%0.34628%0.28SS..Hα-helixtrans-105.8-5.4-173.5-67.3-166.7-150.700114Y327 K374 Y376 D382 F383 R388Y327-E386 PolarHBondContact OH-O 3.24Å; K374-E386 IonicContact NZ-OE2 3.94Å; K374-E386 PolarHBondContact NZ-OE2 3.48Å; Y376-E386 WeakPolarHBondContact OH-CB 3.32Å; Y376-E386 VanDerWaalsContact OH-CD 3.26Å; Y376-E386 PolarHBondContact OH-OE2 2.81Å; D382-E386 PolarHBondContact O-N 3.3Å; F383-E386 PolarHBondContact O-N 3.09Å; F383-E386 VanDerWaalsContact O-N 3.17Å; E386-R388 PolarHBondContact O-N 2.91Å
387F92.8Very high92.5Very high58 Ų5850.6 Ų50.625%0.25428%0.279SS..  trans-63.8123.1179.7178.6-119.9000111.6Y327 F383 Q389 F408 W412Y327-F387 HydrophobicContact CE2-CD2 4.26Å; F383-F387 HydrophobicContact CE1-CB 4.2Å; F383-F387 AromaticContact CE1-CD2 3.88Å; F383-F387 HydrophobicContact CE1-CD2 3.88Å; F383-F387 HydrophobicContact CE1-CE2 4.43Å; F383-F387 HydrophobicContact CE1-CG 4.08Å; F383-F387 HydrophobicContact CE2-CB 4.35Å; F383-F387 AromaticContact CE2-CD2 3.76Å; F383-F387 HydrophobicContact CE2-CD2 3.76Å; F383-F387 HydrophobicContact CE2-CG 4.44Å; F383-F387 HydrophobicContact CZ-CB 4.11Å; F383-F387 AromaticContact CZ-CD2 3.21Å; F383-F387 HydrophobicContact CZ-CD2 3.21Å; F383-F387 AromaticContact CZ-CE2 3.73Å; F383-F387 HydrophobicContact CZ-CE2 3.73Å; F383-F387 AromaticContact CZ-CG 3.85Å; F383-F387 HydrophobicContact CZ-CG 3.85Å; F383-F387 VanDerWaalsContact O-CB 3.25Å; F383-F387 WeakPolarHBondContact O-CB 3.5Å; F383-F387 PolarHBondContact O-N 3.42Å; F387-Q389 HydrophobicContact CE1-CG 4.05Å; F387-Q389 VanDerWaalsContact CE1-NE2 3.25Å; F387-Q389 HydrophobicContact CE2-CG 4.35Å; F387-Q389 HydrophobicContact CZ-CG 3.78Å; F387-F408 HydrophobicContact CE2-CE1 4.46Å; F387-W412 HydrophobicContact CE2-CZ2 4.16Å; F387-W412 AromaticContact CZ-CZ2 3.93Å; F387-W412 HydrophobicContact CZ-CZ2 3.93Å
388R92.9Very high92.6Very high177 Ų17746.6 Ų46.667%0.66825%0.254SS*.  trans-132.3149.9178.7-64.2178.5-172.5-175.61.7109.9P325 Y327 E386 C391P325-R388 HydrophobicContact CG-CB 4.35Å; Y327-R388 PolarHBondContact OH-N 3.15Å; Y327-R388 VanDerWaalsContact OH-N 3.08Å; E386-R388 PolarHBondContact O-N 2.91Å; R388-C391 WeakPolarHBondContact O-CB 3.29Å; R388-C391 PolarHBondContact O-SG 2.96Å
389Q92.8Very high92.9Very high103 Ų10345.7 Ų45.748%0.48125%0.247SC..SBendtrans-124.4145.3175.2-60.5-173.5900109.7N294 F387N294-Q389 VanDerWaalsContact ND2-CD 3.31Å; N294-Q389 PolarHBondContact ND2-OE1 3.07Å; N294-Q389 WeakPolarHBondContact OD1-CB 3.46Å; N294-Q389 VanDerWaalsContact OD1-CG 3.22Å; N294-Q389 WeakPolarHBondContact OD1-CG 3.3Å; F387-Q389 HydrophobicContact CE1-CG 4.05Å; F387-Q389 VanDerWaalsContact CE1-NE2 3.25Å; F387-Q389 HydrophobicContact CE2-CG 4.35Å; F387-Q389 HydrophobicContact CZ-CG 3.78Å
390P94.8Very high93.1Very high45 Ų4545.2 Ų45.229%0.29225%0.245SC..SBendcis-71.4148.90.531-36000112.8I289 G293 N294 P325I289-P390 HydrophobicContact CD1-CB 4.3Å; G293-P390 VanDerWaalsContact O-CB 3.23Å; G293-P390 WeakPolarHBondContact O-CB 3.39Å; N294-P390 WeakPolarHBondContact OD1-CA 3.27Å; P325-P390 WeakPolarHBondContact CD-O 3.29Å
391C95.9Very high93.6Very high0 Ų039.7 Ų39.70%022%0.219CC..  trans-149168.2-18064.20000113.3N294 V295 P325 Y327 R388N294-C391 WeakPolarHBondContact CA-O 3.4Å; N294-C391 PolarHBondContact OD1-N 3.45Å; N294-C391 VanDerWaalsContact OD1-N 3.16Å; N294-C391 PolarHBondContact OD1-SG 3.07Å; V295-C391 PolarHBondContact N-O 3.34Å; P325-C391 HydrophobicContact CG-CB 3.92Å; Y327-C391 HydrophobicContact CD2-CB 3.84Å; Y327-C391 HydrophobicContact CE2-CB 3.62Å; R388-C391 WeakPolarHBondContact O-CB 3.29Å; R388-C391 PolarHBondContact O-SG 2.96Å
392V97.3Very high94Very high0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-112.8126169.9-1750000108.4L285 I289 V295 V297 T324 P325 F326 Y327 F394L285-V392 HydrophobicContact CD1-CG1 4.01Å; L285-V392 HydrophobicContact CD1-CG2 3.98Å; L285-V392 HydrophobicContact CD2-CG2 4.25Å; L285-V392 HydrophobicContact CG-CG2 4.09Å; I289-V392 HydrophobicContact CD1-CG2 3.94Å; I289-V392 HydrophobicContact CG1-CG2 4.23Å; V295-V392 HydrophobicContact CB-CB 4.49Å; V295-V392 HydrophobicContact CB-CG1 4.24Å; V295-V392 HydrophobicContact CB-CG2 4.19Å; V295-V392 HydrophobicContact CG1-CG1 4.27Å; V295-V392 CarbonylContact O-C 3.41Å; V295-V392 WeakPolarHBondContact O-CA 3.29Å; V297-V392 HydrophobicContact CG2-CG1 4.35Å; T324-V392 HydrophobicContact CG2-CG2 4.45Å; P325-V392 PolarHBondContact O-N 3.4Å; P325-V392 VanDerWaalsContact O-N 3.16Å; F326-V392 CarbonylContact C-O 3.57Å; F326-V392 WeakPolarHBondContact CA-O 3.43Å; F326-V392 HydrophobicContact CD1-CB 3.65Å; F326-V392 HydrophobicContact CD1-CG1 3.96Å; F326-V392 HydrophobicContact CD1-CG2 4.01Å; F326-V392 HydrophobicContact CE1-CB 3.85Å; F326-V392 HydrophobicContact CE1-CG1 4.12Å; F326-V392 HydrophobicContact CE1-CG2 3.68Å; F326-V392 HydrophobicContact CG-CB 4.31Å; F326-V392 HydrophobicContact CZ-CG2 4.07Å; Y327-V392 PolarHBondContact N-O 3.06Å; V392-F394 HydrophobicContact CG1-CE2 3.97Å; V392-F394 HydrophobicContact CG1-CZ 3.86Å
393V98Very high94.5Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-118.3118.2178.6176.70000109.9V295 L296 V297 Y327 I329 T395 F408 W412V295-V393 PolarHBondContact O-N 3.24Å; L296-V393 HydrophobicContact CD1-CB 4.26Å; L296-V393 HydrophobicContact CD1-CG1 4.22Å; V297-V393 PolarHBondContact N-O 3.17Å; Y327-V393 HydrophobicContact CD2-CG2 4.1Å; Y327-V393 CarbonylContact O-C 3.49Å; Y327-V393 WeakPolarHBondContact O-CA 3.4Å; I329-V393 HydrophobicContact CD1-CG1 3.82Å; I329-V393 HydrophobicContact CG1-CG1 4.35Å; V393-T395 HydrophobicContact CG1-CG2 3.92Å; V393-F408 HydrophobicContact CG1-CD2 4.25Å; V393-F408 HydrophobicContact CG1-CE2 3.84Å; V393-F408 HydrophobicContact CG1-CZ 4.1Å; V393-F408 HydrophobicContact CG2-CZ 4.44Å; V393-W412 HydrophobicContact CB-CH2 4.05Å; V393-W412 HydrophobicContact CB-CZ3 4.38Å; V393-W412 HydrophobicContact CG2-CH2 3.54Å; V393-W412 HydrophobicContact CG2-CZ2 4.38Å; V393-W412 HydrophobicContact CG2-CZ3 4.35Å
394F98.2Very high94.6Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-92.2121.9164.9-57.8-79.7000108.5F281 V297 I305 L308 L309 L312 F326 Y327 F328 I329 V392F281-F394 HydrophobicContact CZ-CE1 4.27Å; V297-F394 HydrophobicContact CB-CD1 3.56Å; V297-F394 HydrophobicContact CB-CE1 3.81Å; V297-F394 HydrophobicContact CB-CG 4.48Å; V297-F394 HydrophobicContact CG1-CD1 3.73Å; V297-F394 HydrophobicContact CG1-CE1 3.89Å; V297-F394 HydrophobicContact CG2-CD1 4.05Å; V297-F394 HydrophobicContact CG2-CE1 3.79Å; V297-F394 WeakPolarHBondContact O-CA 3.36Å; I305-F394 HydrophobicContact CD1-CB 4.21Å; I305-F394 HydrophobicContact CD1-CG 4.45Å; L308-F394 HydrophobicContact CD2-CD1 4.28Å; L308-F394 HydrophobicContact CD2-CE1 3.61Å; L308-F394 HydrophobicContact CD2-CZ 4.46Å; L308-F394 HydrophobicContact CG-CE1 4.47Å; L309-F394 HydrophobicContact CD2-CE2 4.06Å; L312-F394 HydrophobicContact CD1-CE1 4.35Å; L312-F394 HydrophobicContact CD1-CE2 4.27Å; L312-F394 HydrophobicContact CD1-CZ 3.48Å; L312-F394 VanDerWaalsContact CD1-CZ 3.48Å; F326-F394 AromaticContact CD1-CE2 3.9Å; F326-F394 HydrophobicContact CD1-CE2 3.9Å; F326-F394 HydrophobicContact CD1-CZ 4.38Å; Y327-F394 PolarHBondContact O-N 3.13Å; F328-F394 WeakPolarHBondContact CA-O 3.44Å; F328-F394 HydrophobicContact CD2-CB 3.81Å; I329-F394 PolarHBondContact N-O 3.14Å; V392-F394 HydrophobicContact CG1-CE2 3.97Å; V392-F394 HydrophobicContact CG1-CZ 3.86Å
395T97.5Very high95.1Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-157.2144.4178.3-171.50000112L296 V297 P298 C299 I329 V393 V405 F408L296-T395 HydrophobicContact CD1-CG2 3.86Å; V297-T395 PolarHBondContact O-N 3.13Å; P298-T395 WeakPolarHBondContact CA-O 3.16Å; C299-T395 PolarHBondContact N-O 3.06Å; I329-T395 WeakPolarHBondContact O-CA 3.5Å; I329-T395 WeakPolarHBondContact O-CB 3.22Å; I329-T395 PolarHBondContact O-OG1 2.93Å; V393-T395 HydrophobicContact CG1-CG2 3.92Å; T395-V405 HydrophobicContact CG2-CB 3.85Å; T395-V405 HydrophobicContact CG2-CG2 4.18Å; T395-F408 HydrophobicContact CG2-CD2 4.03Å; T395-F408 HydrophobicContact CG2-CE2 4.34Å
396G93.7Very high95.5Very high2 Ų223.1 Ų23.12%0.02111%0.106CC..SBendtrans-72.3154.4174.200000112.3C299 G403 D404 V405C299-G396 WeakPolarHBondContact O-CA 3.39Å; G396-G403 CarbonylContact O-C 3.58Å; G396-G403 WeakPolarHBondContact O-CA 3.27Å; G396-D404 PolarHBondContact O-N 3.16Å; G396-D404 VanDerWaalsContact O-N 3.16Å; G396-V405 WeakPolarHBondContact O-CB 3.11Å; G396-V405 PolarHBondContact O-N 3.19Å; G396-V405 VanDerWaalsContact O-N 3.14Å
397H95.9Very high95.7Very high16 Ų1621.9 Ų21.97%0.07410%0.1CC..  cis-118.7147.66.4-173.6-91.1000112.4F143 Y300 S399 L400 F402 F427F143-H397 HydrophobicContact CE2-CB 4.36Å; Y300-H397 AromaticContact CE1-NE2 3.46Å; Y300-H397 WeakPolarHBondContact CE1-NE2 3.37Å; H397-S399 WeakPolarHBondContact ND1-CB 3.49Å; H397-S399 PolarHBondContact ND1-N 3.19Å; H397-S399 PolarHBondContact ND1-OG 3.01Å; H397-S399 PolarHBondContact O-N 3.15Å; H397-L400 PolarHBondContact O-N 3.49Å; H397-F402 HydrophobicContact CB-CD2 3.65Å; H397-F402 HydrophobicContact CB-CE2 3.47Å; H397-F402 VanDerWaalsContact CB-CE2 3.47Å; H397-F402 HydrophobicContact CB-CZ 4.29Å; H397-F402 WeakPolarHBondContact CB-O 3.44Å; H397-F402 AromaticContact CD2-CE2 3.55Å; H397-F402 AromaticContact CE1-CZ 3.88Å; H397-F402 AromaticContact CG-CD2 3.99Å; H397-F402 AromaticContact CG-CE2 3.27Å; H397-F402 AromaticContact CG-CZ 3.76Å; H397-F402 PolarHBondContact N-O 3.29Å; H397-F402 AromaticContact ND1-CE2 3.66Å; H397-F402 AromaticContact ND1-CZ 3.63Å; H397-F427 AromaticContact CE1-CE2 3.68Å; H397-F427 AromaticContact CE1-CZ 3.68Å
398P96.4Very high95.9Very high3 Ų319.2 Ų19.22%0.0199%0.088CC..THydrogen-bonded Turntrans-48.8-30.7179.3-32.437.7000116.6Y300 L400 E424 F427Y300-P398 HydrophobicContact CD1-CG 4Å; Y300-P398 HydrophobicContact CD2-CG 4.27Å; Y300-P398 HydrophobicContact CE1-CG 3.91Å; Y300-P398 HydrophobicContact CE2-CG 4.2Å; Y300-P398 HydrophobicContact CG-CG 4.19Å; P398-L400 PolarHBondContact O-N 2.83Å; P398-E424 HydrophobicContact CB-CB 4.13Å; P398-E424 HydrophobicContact CB-CG 4.06Å; P398-E424 HydrophobicContact CG-CB 4.25Å; P398-E424 HydrophobicContact CG-CG 3.64Å; P398-F427 HydrophobicContact CB-CD2 3.71Å; P398-F427 HydrophobicContact CB-CE2 3.97Å
399S96.8Very high96Very high0 Ų011 Ų110%06%0.057CC..THydrogen-bonded Turntrans-68.4-15.8177.367.20000114.7H397 R401H397-S399 WeakPolarHBondContact ND1-CB 3.49Å; H397-S399 PolarHBondContact ND1-N 3.19Å; H397-S399 PolarHBondContact ND1-OG 3.01Å; H397-S399 PolarHBondContact O-N 3.15Å; S399-R401 PolarHBondContact O-N 3.22Å; S399-R401 VanDerWaalsContact O-N 3.17Å; S399-R401 PolarHBondContact O-NH1 3.2Å; S399-R401 VanDerWaalsContact O-NH1 3.16Å; S399-R401 PolarHBondContact OG-N 3.16Å
400L97.5Very high96.1Very high0 Ų08.3 Ų8.30%05%0.045CC..SBendtrans54.825.7-171.6-52.2-172.8000114.2P298 H397 P398 V405 M409 I420 F422 A432 L433 Y436P298-L400 HydrophobicContact CB-CD2 3.82Å; P298-L400 HydrophobicContact CG-CD2 4.34Å; H397-L400 PolarHBondContact O-N 3.49Å; P398-L400 PolarHBondContact O-N 2.83Å; L400-V405 HydrophobicContact CD2-CB 4.14Å; L400-V405 HydrophobicContact CD2-CG1 3.67Å; L400-V405 HydrophobicContact CD2-CG2 3.35Å; L400-M409 HydrophobicContact CD1-CE 4.18Å; L400-M409 HydrophobicContact CD1-CG 4.3Å; L400-M409 HydrophobicContact CD1-SD 4.2Å; L400-M409 HydrophobicContact CD2-CG 4.43Å; L400-I420 HydrophobicContact CD1-CD1 4.01Å; L400-I420 HydrophobicContact CD2-CD1 4.24Å; L400-F422 HydrophobicContact CD1-CE1 4.08Å; L400-F422 HydrophobicContact CD1-CZ 3.62Å; L400-F422 HydrophobicContact CG-CE1 4.18Å; L400-F422 HydrophobicContact CG-CZ 4.23Å; L400-A432 HydrophobicContact CD1-CB 4.25Å; L400-A432 HydrophobicContact CG-CB 4.2Å; L400-L433 HydrophobicContact CD1-CD2 3.85Å; L400-Y436 HydrophobicContact CB-CE2 3.73Å; L400-Y436 HydrophobicContact CD1-CD2 4.41Å; L400-Y436 HydrophobicContact CD1-CE2 4.1Å; L400-Y436 PolarHBondContact O-OH 3.03Å
401R96.1Very high96Very high0 Ų010.6 Ų10.60%05%0.054CC..SBendtrans-100.5-24.1178.6-63.2-61.4-179.2-92.60.6113.3V35 L36 F38 P40 L41 S399 D431 A432 P435V35-R401 HydrophobicContact CB-CG 4.49Å; V35-R401 HydrophobicContact CG2-CB 4.48Å; V35-R401 HydrophobicContact CG2-CG 4.16Å; V35-R401 WeakPolarHBondContact O-CG 3.38Å; L36-R401 PolarHBondContact O-NE 2.78Å; L36-R401 PolarHBondContact O-NH2 3.31Å; F38-R401 WeakPolarHBondContact O-CD 3.2Å; F38-R401 PolarHBondContact O-NE 2.99Å; P40-R401 CarbonylContact C-O 3.56Å; P40-R401 WeakPolarHBondContact CA-O 3.43Å; L41-R401 PolarHBondContact N-O 3.38Å; S399-R401 PolarHBondContact O-N 3.22Å; S399-R401 VanDerWaalsContact O-N 3.17Å; S399-R401 PolarHBondContact O-NH1 3.2Å; S399-R401 VanDerWaalsContact O-NH1 3.16Å; S399-R401 PolarHBondContact OG-N 3.16Å; R401-D431 PolarHBondContact NH2-O 2.71Å; R401-A432 PolarHBondContact NH1-O 3.17Å; R401-P435 VanDerWaalsContact CZ-CG 3.41Å; R401-P435 VanDerWaalsContact NH2-CG 3.32Å
402F95.4Very high96Very high1 Ų110.8 Ų10.80%0.0046%0.055CC..SBendtrans-156.6175.3-177.549.4-100.3000109.1V35 P81 L140 F143 M144 H397V35-F402 HydrophobicContact CB-CE1 4.25Å; V35-F402 HydrophobicContact CG1-CE1 4.17Å; V35-F402 HydrophobicContact CG2-CE1 4.14Å; P81-F402 HydrophobicContact CG-CD1 4.31Å; L140-F402 HydrophobicContact CD1-CE2 3.71Å; L140-F402 HydrophobicContact CD1-CZ 3.72Å; F143-F402 HydrophobicContact CB-CB 4.39Å; F143-F402 HydrophobicContact CB-CD2 3.95Å; F143-F402 AromaticContact CD2-CD2 3.68Å; F143-F402 HydrophobicContact CD2-CD2 3.68Å; F143-F402 HydrophobicContact CD2-CE2 4.14Å; F143-F402 HydrophobicContact CG-CD2 4.26Å; M144-F402 HydrophobicContact CE-CB 3.29Å; M144-F402 HydrophobicContact CE-CD1 3.26Å; M144-F402 HydrophobicContact CE-CD2 3.83Å; M144-F402 HydrophobicContact CE-CE1 3.96Å; M144-F402 HydrophobicContact CE-CE2 4.43Å; M144-F402 HydrophobicContact CE-CG 3.17Å; M144-F402 HydrophobicContact CE-CZ 4.49Å; H397-F402 HydrophobicContact CB-CD2 3.65Å; H397-F402 HydrophobicContact CB-CE2 3.47Å; H397-F402 VanDerWaalsContact CB-CE2 3.47Å; H397-F402 HydrophobicContact CB-CZ 4.29Å; H397-F402 WeakPolarHBondContact CB-O 3.44Å; H397-F402 AromaticContact CD2-CE2 3.55Å; H397-F402 AromaticContact CE1-CZ 3.88Å; H397-F402 AromaticContact CG-CD2 3.99Å; H397-F402 AromaticContact CG-CE2 3.27Å; H397-F402 AromaticContact CG-CZ 3.76Å; H397-F402 PolarHBondContact N-O 3.29Å; H397-F402 AromaticContact ND1-CE2 3.66Å; H397-F402 AromaticContact ND1-CZ 3.63Å
403G94.9Very high95.9Very high5 Ų511.1 Ų11.15%0.0526%0.058CC..SBendtrans81.5177.2-169.600000112.2G396 V405 V406G396-G403 CarbonylContact O-C 3.58Å; G396-G403 WeakPolarHBondContact O-CA 3.27Å; G403-V405 PolarHBondContact O-N 3.27Å; G403-V406 PolarHBondContact O-N 3.26Å
404D95.3Very high95.7Very high1 Ų120 Ų201%0.00510%0.096CC..THydrogen-bonded Turntrans-74-16.1-171.2-68.64.5000111.8L43 R146 I329 S378 I379 G396 V406 H407 F408L43-D404 WeakPolarHBondContact CD1-OD1 3.27Å; R146-D404 IonicContact CZ-OD1 3Å; R146-D404 IonicContact NH1-OD1 2.86Å; R146-D404 PolarHBondContact NH1-OD1 2.98Å; R146-D404 IonicContact NH1-OD2 2.6Å; R146-D404 IonicContact NH2-OD1 3.15Å; R146-D404 PolarHBondContact NH2-OD1 3.25Å; I329-D404 HydrophobicContact CG2-CB 4.23Å; I329-D404 WeakPolarHBondContact CG2-OD2 3.27Å; S378-D404 WeakPolarHBondContact CA-OD2 3.29Å; S378-D404 PolarHBondContact OG-OD2 3.41Å; I379-D404 HydrophobicContact CG2-CB 3.86Å; I379-D404 PolarHBondContact N-OD2 3.43Å; G396-D404 PolarHBondContact O-N 3.16Å; G396-D404 VanDerWaalsContact O-N 3.16Å; D404-V406 PolarHBondContact O-N 2.69Å; D404-H407 WeakPolarHBondContact O-CB 3.27Å; D404-H407 PolarHBondContact O-N 3.36Å; D404-H407 VanDerWaalsContact O-N 3.07Å; D404-F408 WeakPolarHBondContact O-CD2 3.5Å; D404-F408 PolarHBondContact O-N 2.83Å
405V96.9Very high95.6Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-55-34.6172.976.20000113.4L296 P298 T395 G396 L400 G403 H407 F408 M409L296-V405 HydrophobicContact CD1-CG2 4.26Å; L296-V405 HydrophobicContact CD2-CG2 3.9Å; L296-V405 HydrophobicContact CG-CG2 4.19Å; P298-V405 HydrophobicContact CB-CG2 4.07Å; T395-V405 HydrophobicContact CG2-CB 3.85Å; T395-V405 HydrophobicContact CG2-CG2 4.18Å; G396-V405 WeakPolarHBondContact O-CB 3.11Å; G396-V405 PolarHBondContact O-N 3.19Å; G396-V405 VanDerWaalsContact O-N 3.14Å; L400-V405 HydrophobicContact CD2-CB 4.14Å; L400-V405 HydrophobicContact CD2-CG1 3.67Å; L400-V405 HydrophobicContact CD2-CG2 3.35Å; G403-V405 PolarHBondContact O-N 3.27Å; V405-H407 PolarHBondContact O-N 2.64Å; V405-F408 PolarHBondContact O-N 3.34Å; V405-M409 WeakPolarHBondContact O-CG 3.41Å; V405-M409 PolarHBondContact O-N 3.02Å
406V96.1Very high95.6Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-62.8-37.3-179.6179.70000110.3P40 P42 G403 D404 M409 E410P40-V406 HydrophobicContact CB-CG1 3.76Å; P40-V406 HydrophobicContact CB-CG2 4.3Å; P42-V406 HydrophobicContact CB-CG1 4.04Å; G403-V406 PolarHBondContact O-N 3.26Å; D404-V406 PolarHBondContact O-N 2.69Å; V406-M409 PolarHBondContact O-N 3.06Å; V406-E410 PolarHBondContact O-N 3.02Å
407H94.7Very high95.7Very high48 Ų4829.5 Ų29.522%0.22216%0.155CC..Hα-helixtrans-65.4-46176.6-179.873000111.4L43 I379 D404 V405 M409 E410 L411L43-H407 HydrophobicContact CD1-CB 4.41Å; I379-H407 HydrophobicContact CD1-CB 3.89Å; D404-H407 WeakPolarHBondContact O-CB 3.27Å; D404-H407 PolarHBondContact O-N 3.36Å; D404-H407 VanDerWaalsContact O-N 3.07Å; V405-H407 PolarHBondContact O-N 2.64Å; H407-M409 VanDerWaalsContact C-N 3.31Å; H407-M409 PolarHBondContact O-N 2.94Å; H407-E410 PolarHBondContact O-N 2.87Å; H407-L411 WeakPolarHBondContact O-CB 3.39Å; H407-L411 PolarHBondContact O-N 2.72Å
408F96.1Very high95.8Very high3 Ų329.2 Ų29.21%0.01315%0.154CC..Hα-helixtrans-65.6-33.9177.3-69.2-69.9000112.6L296 I329 I379 F383 F387 V393 T395 D404 V405 E410 L411 W412L296-F408 HydrophobicContact CD1-CB 3.83Å; L296-F408 HydrophobicContact CD1-CD2 4.22Å; L296-F408 HydrophobicContact CD1-CG 4.14Å; L296-F408 HydrophobicContact CD2-CB 3.75Å; L296-F408 HydrophobicContact CG-CB 4.44Å; I329-F408 HydrophobicContact CD1-CE2 3.77Å; I329-F408 HydrophobicContact CD1-CZ 3.73Å; I379-F408 HydrophobicContact CG2-CE2 3.65Å; I379-F408 HydrophobicContact CG2-CZ 3.78Å; F383-F408 HydrophobicContact CE1-CE1 4.43Å; F383-F408 AromaticContact CE1-CZ 3.92Å; F383-F408 HydrophobicContact CE1-CZ 3.92Å; F383-F408 HydrophobicContact CZ-CE1 4.27Å; F383-F408 AromaticContact CZ-CZ 3.78Å; F383-F408 HydrophobicContact CZ-CZ 3.78Å; F387-F408 HydrophobicContact CE2-CE1 4.46Å; V393-F408 HydrophobicContact CG1-CD2 4.25Å; V393-F408 HydrophobicContact CG1-CE2 3.84Å; V393-F408 HydrophobicContact CG1-CZ 4.1Å; V393-F408 HydrophobicContact CG2-CZ 4.44Å; T395-F408 HydrophobicContact CG2-CD2 4.03Å; T395-F408 HydrophobicContact CG2-CE2 4.34Å; D404-F408 WeakPolarHBondContact O-CD2 3.5Å; D404-F408 PolarHBondContact O-N 2.83Å; V405-F408 PolarHBondContact O-N 3.34Å; F408-E410 PolarHBondContact O-N 3.12Å; F408-L411 PolarHBondContact O-N 3.43Å; F408-W412 HydrophobicContact CB-CD2 4.43Å; F408-W412 HydrophobicContact CB-CE3 4.28Å; F408-W412 HydrophobicContact CD1-CD2 4.16Å; F408-W412 AromaticContact CD1-CE2 3.77Å; F408-W412 HydrophobicContact CD1-CE3 4.37Å; F408-W412 AromaticContact CD1-CH2 3.92Å; F408-W412 HydrophobicContact CD1-CH2 3.92Å; F408-W412 AromaticContact CD1-CZ2 3.65Å; F408-W412 HydrophobicContact CD1-CZ2 3.65Å; F408-W412 HydrophobicContact CD1-CZ3 4.26Å; F408-W412 HydrophobicContact CE1-CH2 4.23Å; F408-W412 AromaticContact CE1-CZ2 3.91Å; F408-W412 HydrophobicContact CE1-CZ2 3.91Å; F408-W412 VanDerWaalsContact O-CB 3.29Å; F408-W412 WeakPolarHBondContact O-CB 3.41Å; F408-W412 PolarHBondContact O-N 3.2Å
409M96.4Very high95.9Very high4 Ų429.2 Ų29.22%0.0215%0.154CC..Hα-helixtrans-61.3-43.2173.5-75-60.7-65.100112.3L296 L400 V405 V406 H407 L411 G413 I420 L433 Y436 L439L296-M409 HydrophobicContact CD2-CG 4.26Å; L296-M409 HydrophobicContact CD2-SD 3.97Å; L400-M409 HydrophobicContact CD1-CE 4.18Å; L400-M409 HydrophobicContact CD1-CG 4.3Å; L400-M409 HydrophobicContact CD1-SD 4.2Å; L400-M409 HydrophobicContact CD2-CG 4.43Å; V405-M409 WeakPolarHBondContact O-CG 3.41Å; V405-M409 PolarHBondContact O-N 3.02Å; V406-M409 PolarHBondContact O-N 3.06Å; H407-M409 VanDerWaalsContact C-N 3.31Å; H407-M409 PolarHBondContact O-N 2.94Å; M409-L411 VanDerWaalsContact C-N 3.35Å; M409-G413 WeakPolarHBondContact O-CA 3.45Å; M409-G413 PolarHBondContact O-N 3.21Å; M409-I420 HydrophobicContact SD-CD1 3.55Å; M409-I420 VanDerWaalsContact SD-CD1 3.55Å; M409-L433 HydrophobicContact CE-CD2 3.66Å; M409-Y436 HydrophobicContact CB-CD1 3.78Å; M409-Y436 HydrophobicContact CB-CE1 3.43Å; M409-Y436 VanDerWaalsContact CB-CE1 3.43Å; M409-Y436 HydrophobicContact CE-CD1 4.01Å; M409-Y436 HydrophobicContact CE-CD2 3.92Å; M409-Y436 HydrophobicContact CE-CE2 4.44Å; M409-Y436 HydrophobicContact CE-CG 3.67Å; M409-Y436 HydrophobicContact CG-CD1 4.46Å; M409-Y436 HydrophobicContact CG-CE1 4.1Å; M409-L439 HydrophobicContact CE-CD1 4.14Å; M409-L439 HydrophobicContact CE-CD2 4.03Å
410E93.7Very high96Very high47 Ų4729.2 Ų29.222%0.2215%0.154CC..Hα-helixtrans-67.6-35.3175.4-66.9-66.3135.300112.3S46 R48 V406 H407 F408S46-E410 PolarHBondContact OG-OE2 3.15Å; R48-E410 IonicContact CZ-OE1 2.63Å; R48-E410 IonicContact NE-OE1 3.96Å; R48-E410 PolarHBondContact NE-OE1 3.29Å; R48-E410 IonicContact NE-OE2 2.67Å; R48-E410 PolarHBondContact NE-OE2 2.96Å; R48-E410 IonicContact NH2-OE1 3.68Å; R48-E410 PolarHBondContact NH2-OE1 3.34Å; V406-E410 PolarHBondContact O-N 3.02Å; H407-E410 PolarHBondContact O-N 2.87Å; F408-E410 PolarHBondContact O-N 3.12Å
411L93.6Very high96.1Very high93 Ų9329.2 Ų29.249%0.48715%0.154SC..Hα-helixtrans-76.7-44.8-177.8-173.764.3000112.8H407 F408 M409H407-L411 WeakPolarHBondContact O-CB 3.39Å; H407-L411 PolarHBondContact O-N 2.72Å; F408-L411 PolarHBondContact O-N 3.43Å; M409-L411 VanDerWaalsContact C-N 3.35Å
412W96.1Very high96.1Very high4 Ų429.4 Ų29.42%0.01516%0.155CC..Hα-helixtrans-100.4-18.1-169.7-66-10000113.9N294 L296 F387 V393 F408 K414 S415 N418 M441N294-W412 HydrophobicContact CB-CD2 4.08Å; N294-W412 HydrophobicContact CB-CE3 3.98Å; N294-W412 HydrophobicContact CB-CH2 3.66Å; N294-W412 HydrophobicContact CB-CZ2 3.77Å; N294-W412 HydrophobicContact CB-CZ3 3.77Å; L296-W412 HydrophobicContact CB-CE3 3.89Å; L296-W412 HydrophobicContact CB-CZ3 3.77Å; L296-W412 HydrophobicContact CD1-CZ3 4.1Å; L296-W412 HydrophobicContact CD2-CE3 4.47Å; L296-W412 HydrophobicContact CG-CZ3 4.43Å; F387-W412 HydrophobicContact CE2-CZ2 4.16Å; F387-W412 AromaticContact CZ-CZ2 3.93Å; F387-W412 HydrophobicContact CZ-CZ2 3.93Å; V393-W412 HydrophobicContact CB-CH2 4.05Å; V393-W412 HydrophobicContact CB-CZ3 4.38Å; V393-W412 HydrophobicContact CG2-CH2 3.54Å; V393-W412 HydrophobicContact CG2-CZ2 4.38Å; V393-W412 HydrophobicContact CG2-CZ3 4.35Å; F408-W412 HydrophobicContact CB-CD2 4.43Å; F408-W412 HydrophobicContact CB-CE3 4.28Å; F408-W412 HydrophobicContact CD1-CD2 4.16Å; F408-W412 AromaticContact CD1-CE2 3.77Å; F408-W412 HydrophobicContact CD1-CE3 4.37Å; F408-W412 AromaticContact CD1-CH2 3.92Å; F408-W412 HydrophobicContact CD1-CH2 3.92Å; F408-W412 AromaticContact CD1-CZ2 3.65Å; F408-W412 HydrophobicContact CD1-CZ2 3.65Å; F408-W412 HydrophobicContact CD1-CZ3 4.26Å; F408-W412 HydrophobicContact CE1-CH2 4.23Å; F408-W412 AromaticContact CE1-CZ2 3.91Å; F408-W412 HydrophobicContact CE1-CZ2 3.91Å; F408-W412 VanDerWaalsContact O-CB 3.29Å; F408-W412 WeakPolarHBondContact O-CB 3.41Å; F408-W412 PolarHBondContact O-N 3.2Å; W412-K414 PolarHBondContact O-N 2.6Å; W412-K414 VanDerWaalsContact O-N 3.07Å; W412-S415 PolarHBondContact O-N 2.99Å; W412-S415 VanDerWaalsContact O-N 3.13Å; W412-N418 WeakPolarHBondContact CA-ND2 3.38Å; W412-N418 HydrophobicContact CB-CB 4.15Å; W412-N418 VanDerWaalsContact CB-ND2 3.31Å; W412-N418 WeakPolarHBondContact CB-ND2 3.37Å; W412-N418 PolarHBondContact O-ND2 2.91Å; W412-M441 HydrophobicContact CB-CE 4.18Å; W412-M441 HydrophobicContact CB-SD 4.12Å; W412-M441 HydrophobicContact CE3-CE 4.18Å
413G94.9Very high96.1Very high6 Ų629.4 Ų29.46%0.06216%0.155CC..THydrogen-bonded Turntrans-60.2-22.8-17200000115.9M409 L439 A440 M441M409-G413 WeakPolarHBondContact O-CA 3.45Å; M409-G413 PolarHBondContact O-N 3.21Å; G413-L439 VanDerWaalsContact CA-CD1 3.43Å; G413-L439 WeakPolarHBondContact O-CD1 3.47Å; G413-A440 PolarHBondContact O-N 3.39Å; G413-M441 PolarHBondContact O-N 3.34Å
414K93Very high96.1Very high186 Ų18630 Ų3081%0.80916%0.156SC*.THydrogen-bonded Turntrans-85.2-10.4-178.6-63.2179.8-175.9172.50114.2W412 A440W412-K414 PolarHBondContact O-N 2.6Å; W412-K414 VanDerWaalsContact O-N 3.07Å; K414-A440 WeakPolarHBondContact O-CB 3.33Å
415S96.5Very high95.9Very high41 Ų4130.4 Ų30.429%0.28716%0.159SC..  trans-108124.3-176.7178.10000111W412 L417 N418 M441W412-S415 PolarHBondContact O-N 2.99Å; W412-S415 VanDerWaalsContact O-N 3.13Å; S415-L417 PolarHBondContact O-N 3.07Å; S415-L417 WeakPolarHBondContact OG-CB 3.45Å; S415-L417 PolarHBondContact OG-N 3.4Å; S415-N418 PolarHBondContact O-N 3.2Å; S415-M441 WeakPolarHBondContact O-CA 3.29Å
416S96.9Very high95.7Very high72 Ų7231.4 Ų31.450%0.50317%0.165SC..THydrogen-bonded Turntrans-73.3-4.6173.760.80000113.9A440 K442S416-A440 WeakPolarHBondContact CA-O 3.25Å; S416-K442 WeakPolarHBondContact O-CE 3.33Å
417L96.9Very high95.5Very high90 Ų9031.7 Ų31.747%0.47117%0.166SC..THydrogen-bonded Turntrans-75-30.4170.9-63.7176.2000111.3T288 G293 S415T288-L417 WeakPolarHBondContact CG2-O 3.12Å; G293-L417 WeakPolarHBondContact CA-O 3.39Å; S415-L417 PolarHBondContact O-N 3.07Å; S415-L417 WeakPolarHBondContact OG-CB 3.45Å; S415-L417 PolarHBondContact OG-N 3.4Å
418N98.3Very high95.4Very high10 Ų1031.7 Ų31.75%0.05317%0.172CC..  trans-85.1153.5-177.8-57.8-38.2000111.1N294 W412 S415 M441 K442N294-N418 WeakPolarHBondContact CB-OD1 3.43Å; N294-N418 PolarHBondContact N-OD1 3.14Å; N294-N418 PolarHBondContact ND2-OD1 3.16Å; N294-N418 VanDerWaalsContact O-CA 3.31Å; N294-N418 WeakPolarHBondContact O-CA 3.37Å; W412-N418 WeakPolarHBondContact CA-ND2 3.38Å; W412-N418 HydrophobicContact CB-CB 4.15Å; W412-N418 VanDerWaalsContact CB-ND2 3.31Å; W412-N418 WeakPolarHBondContact CB-ND2 3.37Å; W412-N418 PolarHBondContact O-ND2 2.91Å; S415-N418 PolarHBondContact O-N 3.2Å; N418-M441 HydrophobicContact CB-CE 3.9Å; N418-M441 HydrophobicContact CB-CG 4.04Å; N418-M441 HydrophobicContact CB-SD 4.33Å; N418-M441 WeakPolarHBondContact O-CG 3.31Å; N418-K442 PolarHBondContact O-N 3.13Å
419T98.6Very high95.3Very high2 Ų235 Ų351%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-131.5133.9178.8-56.10000110.5T288 N294 V295 L296 I421 M441 K442 V444T288-T419 WeakPolarHBondContact CG2-OG1 3.23Å; T288-T419 WeakPolarHBondContact OG1-CB 3.39Å; T288-T419 PolarHBondContact OG1-OG1 3.32Å; N294-T419 PolarHBondContact O-N 3.38Å; V295-T419 WeakPolarHBondContact CA-O 3.22Å; L296-T419 PolarHBondContact N-O 3.25Å; T419-I421 HydrophobicContact CG2-CD1 4.42Å; T419-I421 HydrophobicContact CG2-CG1 3.81Å; T419-M441 WeakPolarHBondContact O-CE 3.4Å; T419-K442 CarbonylContact C-O 3.57Å; T419-K442 VanDerWaalsContact CA-O 3.29Å; T419-K442 WeakPolarHBondContact CA-O 3.4Å; T419-K442 HydrophobicContact CG2-CB 4.17Å; T419-V444 HydrophobicContact CG2-CB 4.48Å; T419-V444 HydrophobicContact CG2-CG2 3.75Å
420I98.6Very high95.2Very high0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-100.9128.6166.4-177.5165.2000108.6L296 P298 L400 M409 F422 L433 M441 K442 C443 V444L296-I420 HydrophobicContact CB-CB 4.45Å; L296-I420 HydrophobicContact CB-CG1 4.44Å; L296-I420 HydrophobicContact CD2-CD1 4.2Å; L296-I420 CarbonylContact O-C 3.59Å; L296-I420 VanDerWaalsContact O-CA 3.31Å; L296-I420 WeakPolarHBondContact O-CA 3.3Å; P298-I420 HydrophobicContact CG-CD1 4.01Å; P298-I420 HydrophobicContact CG-CG1 4.1Å; L400-I420 HydrophobicContact CD1-CD1 4.01Å; L400-I420 HydrophobicContact CD2-CD1 4.24Å; M409-I420 HydrophobicContact SD-CD1 3.55Å; M409-I420 VanDerWaalsContact SD-CD1 3.55Å; I420-F422 HydrophobicContact CD1-CD2 4.44Å; I420-F422 HydrophobicContact CD1-CE2 3.68Å; I420-F422 HydrophobicContact CD1-CZ 3.77Å; I420-F422 HydrophobicContact CG1-CD2 4.1Å; I420-F422 HydrophobicContact CG1-CE2 3.76Å; I420-F422 HydrophobicContact CG1-CZ 4.32Å; I420-F422 HydrophobicContact CG2-CE2 4.12Å; I420-L433 HydrophobicContact CD1-CD2 4.45Å; I420-L433 HydrophobicContact CG2-CD2 4.38Å; I420-M441 HydrophobicContact CB-CE 3.83Å; I420-M441 HydrophobicContact CB-SD 4.29Å; I420-M441 HydrophobicContact CG2-SD 4.46Å; I420-K442 PolarHBondContact N-O 3.3Å; I420-C443 HydrophobicContact CG2-CB 4.1Å; I420-C443 VanDerWaalsContact CG2-SG 3.57Å; I420-V444 PolarHBondContact O-N 3.28Å
421I98.3Very high95.2Very high0 Ų039.2 Ų39.20%021%0.208CC..EExtended strand (participates in β ladder)trans-120.7110.4-179.6-46.8178.7000109.3F281 N284 L285 V295 L296 P298 T419 V444 C446F281-I421 HydrophobicContact CD2-CB 4.23Å; F281-I421 HydrophobicContact CD2-CD1 4.31Å; F281-I421 HydrophobicContact CD2-CG2 3.57Å; F281-I421 HydrophobicContact CE2-CB 4.3Å; F281-I421 HydrophobicContact CE2-CD1 4.38Å; F281-I421 HydrophobicContact CE2-CG2 4.13Å; N284-I421 HydrophobicContact CB-CD1 4.11Å; L285-I421 HydrophobicContact CB-CD1 4.27Å; V295-I421 HydrophobicContact CG1-CD1 3.7Å; V295-I421 HydrophobicContact CG1-CG1 4.06Å; L296-I421 PolarHBondContact O-N 3.31Å; P298-I421 WeakPolarHBondContact CD-O 3.41Å; T419-I421 HydrophobicContact CG2-CD1 4.42Å; T419-I421 HydrophobicContact CG2-CG1 3.81Å; I421-V444 WeakPolarHBondContact CA-O 3.46Å; I421-V444 HydrophobicContact CG1-CB 4.22Å; I421-V444 HydrophobicContact CG2-CB 4.2Å; I421-V444 HydrophobicContact CG2-CG1 4.16Å; I421-C446 HydrophobicContact CG2-CB 4.23Å
422F97.8Very high95.4Very high4 Ų434.8 Ų34.82%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-85128178.6-73.3-97.1000110.8P298 L400 I420 A432 L433 V444 Y445 C446P298-F422 HydrophobicContact CG-CD1 3.66Å; P298-F422 HydrophobicContact CG-CE1 3.85Å; P298-F422 HydrophobicContact CG-CG 4.06Å; P298-F422 HydrophobicContact CG-CZ 4.4Å; L400-F422 HydrophobicContact CD1-CE1 4.08Å; L400-F422 HydrophobicContact CD1-CZ 3.62Å; L400-F422 HydrophobicContact CG-CE1 4.18Å; L400-F422 HydrophobicContact CG-CZ 4.23Å; I420-F422 HydrophobicContact CD1-CD2 4.44Å; I420-F422 HydrophobicContact CD1-CE2 3.68Å; I420-F422 HydrophobicContact CD1-CZ 3.77Å; I420-F422 HydrophobicContact CG1-CD2 4.1Å; I420-F422 HydrophobicContact CG1-CE2 3.76Å; I420-F422 HydrophobicContact CG1-CZ 4.32Å; I420-F422 HydrophobicContact CG2-CE2 4.12Å; F422-A432 HydrophobicContact CE1-CB 4Å; F422-A432 HydrophobicContact CZ-CB 4.27Å; F422-L433 HydrophobicContact CE2-CD1 3.92Å; F422-L433 HydrophobicContact CE2-CD2 3.99Å; F422-L433 HydrophobicContact CE2-CG 3.92Å; F422-L433 HydrophobicContact CZ-CD1 4.32Å; F422-L433 HydrophobicContact CZ-CD2 3.91Å; F422-L433 HydrophobicContact CZ-CG 3.82Å; F422-V444 PolarHBondContact N-O 3.4Å; F422-Y445 HydrophobicContact CB-CD2 3.76Å; F422-Y445 HydrophobicContact CB-CE2 4.38Å; F422-C446 CarbonylContact O-C 3.57Å; F422-C446 PolarHBondContact O-N 3.5Å
423T95.6Very high95.4Very high1 Ų134.9 Ų34.91%0.00619%0.185CC..  trans-109.2-24.6178.855.10000113.6F281 V297 L308 C446 P447 I448F281-T423 HydrophobicContact CD2-CG2 3.96Å; F281-T423 HydrophobicContact CE2-CG2 4.07Å; V297-T423 HydrophobicContact CG1-CG2 4.03Å; L308-T423 HydrophobicContact CD2-CG2 4.35Å; T423-C446 WeakPolarHBondContact CA-O 3.48Å; T423-P447 CarbonylContact O-C 3.58Å; T423-P447 WeakPolarHBondContact O-CA 3.47Å; T423-I448 HydrophobicContact CG2-CD1 3.98Å; T423-I448 PolarHBondContact O-N 3.38Å
424E93.8Very high95.5Very high17 Ų1734.9 Ų34.98%0.07919%0.185CC..  trans-86.1135.2-176.2-56.7-5715100111.8Y300 P398Y300-E424 VanDerWaalsContact CD2-CD 3.45Å; Y300-E424 HydrophobicContact CD2-CG 3.81Å; Y300-E424 WeakPolarHBondContact CD2-OE2 3.5Å; Y300-E424 HydrophobicContact CE2-CB 4.28Å; Y300-E424 HydrophobicContact CE2-CG 3.85Å; P398-E424 HydrophobicContact CB-CB 4.13Å; P398-E424 HydrophobicContact CB-CG 4.06Å; P398-E424 HydrophobicContact CG-CB 4.25Å; P398-E424 HydrophobicContact CG-CG 3.64Å
425P92.2Very high95.6Very high11 Ų1126 Ų267%0.07115%0.147CC..SBendtrans-82.2-19.4177.735.1-38.5000113.6Q268 M269 F427 P447 D449Q268-P425 HydrophobicContact CB-CB 4.39Å; Q268-P425 PolarHBondContact OE1-O 2.86Å; Q268-P425 VanDerWaalsContact OE1-O 3.09Å; M269-P425 HydrophobicContact CG-CB 4.1Å; P425-F427 PolarHBondContact O-N 3.06Å; P425-P447 HydrophobicContact CB-CB 4.46Å; P425-D449 HydrophobicContact CB-CB 4.41Å; P425-D449 HydrophobicContact CG-CB 3.95Å
426D90.9Very high95.5Very high20 Ų2024.4 Ų24.411%0.10713%0.134CC..SBendtrans-62.6-20.5-168.6-64.9-29.6000114.2Y300 R451Y300-D426 VanDerWaalsContact CE2-OD2 3.32Å; Y300-D426 WeakPolarHBondContact CE2-OD2 3.36Å; Y300-D426 PolarHBondContact OH-OD2 3.3Å; D426-R451 IonicContact OD1-NH1 2.59Å
427F92.1Very high95.3Very high6 Ų624.5 Ų24.53%0.02613%0.127CC..SBendtrans-122.7137.3178.2-60.1-83.4000110.9T32 V35 L36 H397 P398 P425 Y429T32-F427 WeakPolarHBondContact OG1-CZ 3.3Å; V35-F427 HydrophobicContact CG2-CE1 4.18Å; L36-F427 HydrophobicContact CD1-CD1 3.9Å; L36-F427 HydrophobicContact CD2-CD1 3.95Å; L36-F427 HydrophobicContact CG-CD1 3.86Å; L36-F427 HydrophobicContact CG-CE1 4.45Å; H397-F427 AromaticContact CE1-CE2 3.68Å; H397-F427 AromaticContact CE1-CZ 3.68Å; P398-F427 HydrophobicContact CB-CD2 3.71Å; P398-F427 HydrophobicContact CB-CE2 3.97Å; P425-F427 PolarHBondContact O-N 3.06Å; F427-Y429 PolarHBondContact O-N 3.38Å; F427-Y429 VanDerWaalsContact O-N 3.13Å
428S92.7Very high95.1Very high49 Ų4926.4 Ų26.434%0.34315%0.145SC..  trans-62.4113.5165.1165.80000109.5L430 D431 A432S428-L430 PolarHBondContact O-N 2.86Å; S428-D431 WeakPolarHBondContact CB-OD2 3.36Å; S428-D431 PolarHBondContact O-N 3.04Å; S428-D431 VanDerWaalsContact OG-CG 3.23Å; S428-D431 PolarHBondContact OG-N 3.24Å; S428-D431 PolarHBondContact OG-OD2 2.69Å; S428-A432 PolarHBondContact O-N 3.31Å
429Y94.1Very high94.9Very high72 Ų7227.6 Ų27.628%0.28215%0.151SC..Hα-helixtrans-60.5-32.6-178.680.2-84.6000112F427 A432 L433 Y445F427-Y429 PolarHBondContact O-N 3.38Å; F427-Y429 VanDerWaalsContact O-N 3.13Å; Y429-A432 PolarHBondContact O-N 3.41Å; Y429-L433 HydrophobicContact CD2-CD1 3.98Å; Y429-L433 WeakPolarHBondContact O-CB 3.46Å; Y429-L433 WeakPolarHBondContact O-CG 3.39Å; Y429-L433 PolarHBondContact O-N 3.38Å; Y429-Y445 AromaticContact CD1-CD1 3.8Å; Y429-Y445 HydrophobicContact CD1-CD1 3.8Å; Y429-Y445 AromaticContact CD1-CD2 3.78Å; Y429-Y445 HydrophobicContact CD1-CD2 3.78Å; Y429-Y445 HydrophobicContact CD1-CE1 4.25Å; Y429-Y445 HydrophobicContact CD1-CE2 4.25Å; Y429-Y445 AromaticContact CD1-CG 3.54Å; Y429-Y445 HydrophobicContact CD1-CG 3.54Å; Y429-Y445 AromaticContact CE1-CD1 3.89Å; Y429-Y445 HydrophobicContact CE1-CD1 3.89Å; Y429-Y445 AromaticContact CE1-CG 3.9Å; Y429-Y445 HydrophobicContact CE1-CG 3.9Å; Y429-Y445 HydrophobicContact CG-CD2 4.07Å; Y429-Y445 HydrophobicContact CG-CG 4.09Å
430L94.4Very high94.8Very high94 Ų9429.9 Ų29.949%0.49217%0.17SC..Hα-helixtrans-64.6-41.5175.5-67175.8000111.6S428 L433 A434S428-L430 PolarHBondContact O-N 2.86Å; L430-L433 PolarHBondContact O-N 3Å; L430-A434 PolarHBondContact O-N 3.1Å; L430-A434 VanDerWaalsContact O-N 3.07Å
431D94.8Very high94.7Very high46 Ų4630.2 Ų30.225%0.24617%0.172CC..Hα-helixtrans-74.3-34.4178.9-59.2-36.1000111.7L36 R74 R401 S428 A434L36-D431 HydrophobicContact CD1-CB 4Å; R74-D431 IonicContact CZ-OD1 3.3Å; R74-D431 VanDerWaalsContact CZ-OD1 3.23Å; R74-D431 IonicContact NH1-OD1 2.98Å; R74-D431 PolarHBondContact NH1-OD1 2.58Å; R74-D431 IonicContact NH2-OD1 2.82Å; R74-D431 PolarHBondContact NH2-OD1 2.93Å; R401-D431 PolarHBondContact NH2-O 2.71Å; S428-D431 WeakPolarHBondContact CB-OD2 3.36Å; S428-D431 PolarHBondContact O-N 3.04Å; S428-D431 VanDerWaalsContact OG-CG 3.23Å; S428-D431 PolarHBondContact OG-N 3.24Å; S428-D431 PolarHBondContact OG-OD2 2.69Å; D431-A434 WeakPolarHBondContact O-CB 3.36Å; D431-A434 PolarHBondContact O-N 3.38Å
432A96.6Very high94.6Very high0 Ų035.9 Ų35.90%020%0.196CC..Hα-helixtrans-61.4-43171.400000111.6L36 L400 R401 F422 S428 Y429 P435L36-A432 HydrophobicContact CD2-CB 4.18Å; L400-A432 HydrophobicContact CD1-CB 4.25Å; L400-A432 HydrophobicContact CG-CB 4.2Å; R401-A432 PolarHBondContact NH1-O 3.17Å; F422-A432 HydrophobicContact CE1-CB 4Å; F422-A432 HydrophobicContact CZ-CB 4.27Å; S428-A432 PolarHBondContact O-N 3.31Å; Y429-A432 PolarHBondContact O-N 3.41Å; A432-P435 WeakPolarHBondContact O-CD 3.43Å
433L96.7Very high94.6Very high5 Ų538.2 Ų38.23%0.02621%0.212CC..Hα-helixtrans-78.5-15.1-180-69.1171.3000114.4L400 M409 I420 F422 Y429 L430 Y436 L439 C443L400-L433 HydrophobicContact CD1-CD2 3.85Å; M409-L433 HydrophobicContact CE-CD2 3.66Å; I420-L433 HydrophobicContact CD1-CD2 4.45Å; I420-L433 HydrophobicContact CG2-CD2 4.38Å; F422-L433 HydrophobicContact CE2-CD1 3.92Å; F422-L433 HydrophobicContact CE2-CD2 3.99Å; F422-L433 HydrophobicContact CE2-CG 3.92Å; F422-L433 HydrophobicContact CZ-CD1 4.32Å; F422-L433 HydrophobicContact CZ-CD2 3.91Å; F422-L433 HydrophobicContact CZ-CG 3.82Å; Y429-L433 HydrophobicContact CD2-CD1 3.98Å; Y429-L433 WeakPolarHBondContact O-CB 3.46Å; Y429-L433 WeakPolarHBondContact O-CG 3.39Å; Y429-L433 PolarHBondContact O-N 3.38Å; L430-L433 PolarHBondContact O-N 3Å; L433-Y436 WeakPolarHBondContact O-CA 3.23Å; L433-Y436 WeakPolarHBondContact O-CB 3.49Å; L433-Y436 PolarHBondContact O-N 3.45Å; L433-L439 HydrophobicContact CD2-CD2 3.85Å; L433-C443 HydrophobicContact CD1-CB 3.91Å; L433-C443 VanDerWaalsContact CD1-SG 3.51Å
434A95.8Very high94.7Very high7 Ų739.3 Ų39.36%0.05822%0.219CC..G310 helixtrans-55.5-41.7-172.500000114.7F76 L430 D431 Y436 Q437F76-A434 HydrophobicContact CE1-CB 4.44Å; F76-A434 HydrophobicContact CZ-CB 3.73Å; L430-A434 PolarHBondContact O-N 3.1Å; L430-A434 VanDerWaalsContact O-N 3.07Å; D431-A434 WeakPolarHBondContact O-CB 3.36Å; D431-A434 PolarHBondContact O-N 3.38Å; A434-Y436 PolarHBondContact O-N 2.91Å; A434-Y436 VanDerWaalsContact O-N 3.15Å; A434-Q437 PolarHBondContact O-N 3.35Å
435P95.6Very high94.9Very high0 Ų041.3 Ų41.30%023%0.226CC..G310 helixtrans-70.5-5.8176.3-16.930.9000114.5L39 P40 R48 F76 R401 A432L39-P435 HydrophobicContact CD2-CB 4.34Å; P40-P435 HydrophobicContact CG-CB 3.85Å; P40-P435 HydrophobicContact CG-CG 4.24Å; R48-P435 PolarHBondContact NH1-O 3.23Å; R48-P435 PolarHBondContact NH2-O 2.93Å; F76-P435 HydrophobicContact CD1-CG 4.11Å; F76-P435 HydrophobicContact CE1-CG 3.66Å; F76-P435 HydrophobicContact CE2-CG 4.33Å; F76-P435 HydrophobicContact CZ-CB 4.44Å; F76-P435 HydrophobicContact CZ-CG 3.78Å; R401-P435 VanDerWaalsContact CZ-CG 3.41Å; R401-P435 VanDerWaalsContact NH2-CG 3.32Å; A432-P435 WeakPolarHBondContact O-CD 3.43Å
436Y95Very high95.1Very high7 Ų740.9 Ų40.93%0.02722%0.224CC..G310 helixtrans-103.22.1-177.5-60.4-82.1000113P40 L400 M409 L433 A434 P438P40-Y436 WeakPolarHBondContact CB-OH 3.39Å; P40-Y436 HydrophobicContact CG-CE1 4.18Å; P40-Y436 HydrophobicContact CG-CE2 3.92Å; P40-Y436 WeakPolarHBondContact CG-OH 3.26Å; L400-Y436 HydrophobicContact CB-CE2 3.73Å; L400-Y436 HydrophobicContact CD1-CD2 4.41Å; L400-Y436 HydrophobicContact CD1-CE2 4.1Å; L400-Y436 PolarHBondContact O-OH 3.03Å; M409-Y436 HydrophobicContact CB-CD1 3.78Å; M409-Y436 HydrophobicContact CB-CE1 3.43Å; M409-Y436 VanDerWaalsContact CB-CE1 3.43Å; M409-Y436 HydrophobicContact CE-CD1 4.01Å; M409-Y436 HydrophobicContact CE-CD2 3.92Å; M409-Y436 HydrophobicContact CE-CE2 4.44Å; M409-Y436 HydrophobicContact CE-CG 3.67Å; M409-Y436 HydrophobicContact CG-CD1 4.46Å; M409-Y436 HydrophobicContact CG-CE1 4.1Å; L433-Y436 WeakPolarHBondContact O-CA 3.23Å; L433-Y436 WeakPolarHBondContact O-CB 3.49Å; L433-Y436 PolarHBondContact O-N 3.45Å; A434-Y436 PolarHBondContact O-N 2.91Å; A434-Y436 VanDerWaalsContact O-N 3.15Å; Y436-P438 CarbonylContact O-C 3.6Å
437Q92.7Very high95.3Very high73 Ų7340.1 Ų40.134%0.34122%0.22SC..  trans-74.4145.9179.1-63.4-58.7-33.400112.2A72 A434A72-Q437 HydrophobicContact CB-CB 3.77Å; A434-Q437 PolarHBondContact O-N 3.35Å
438P92.5Very high95.4Very high131 Ų13140.2 Ų40.285%0.85122%0.22SC*.SBendcis-73138.1-8.131.2-34.3000112Y436Y436-P438 CarbonylContact O-C 3.6Å
439L93.9Very high95.4Very high34 Ų3438.5 Ų38.518%0.17821%0.207CC..  trans-116.2127.8-177.2-17070.5000111M409 G413 L433 M441 C443M409-L439 HydrophobicContact CE-CD1 4.14Å; M409-L439 HydrophobicContact CE-CD2 4.03Å; G413-L439 VanDerWaalsContact CA-CD1 3.43Å; G413-L439 WeakPolarHBondContact O-CD1 3.47Å; L433-L439 HydrophobicContact CD2-CD2 3.85Å; L439-M441 HydrophobicContact CD1-CB 4.16Å; L439-M441 HydrophobicContact CD2-CB 4.37Å; L439-M441 HydrophobicContact CG-CB 4.02Å; L439-C443 VanDerWaalsContact CD2-SG 3.56Å
440A96Very high95.4Very high51 Ų5135.6 Ų35.642%0.42120%0.197SC..  trans-92-24.9177.300000112.8G413 K414 S416G413-A440 PolarHBondContact O-N 3.39Å; K414-A440 WeakPolarHBondContact O-CB 3.33Å; S416-A440 WeakPolarHBondContact CA-O 3.25Å
441M96.8Very high95.5Very high6 Ų631.6 Ų31.63%0.0318%0.175CC..SBendtrans-57.3136174.5-176.2173.6-16900111.3L296 W412 G413 S415 N418 T419 I420 L439 C443L296-M441 HydrophobicContact CB-CE 3.8Å; L296-M441 HydrophobicContact CD2-CE 4.36Å; W412-M441 HydrophobicContact CB-CE 4.18Å; W412-M441 HydrophobicContact CB-SD 4.12Å; W412-M441 HydrophobicContact CE3-CE 4.18Å; G413-M441 PolarHBondContact O-N 3.34Å; S415-M441 WeakPolarHBondContact O-CA 3.29Å; N418-M441 HydrophobicContact CB-CE 3.9Å; N418-M441 HydrophobicContact CB-CG 4.04Å; N418-M441 HydrophobicContact CB-SD 4.33Å; N418-M441 WeakPolarHBondContact O-CG 3.31Å; T419-M441 WeakPolarHBondContact O-CE 3.4Å; I420-M441 HydrophobicContact CB-CE 3.83Å; I420-M441 HydrophobicContact CB-SD 4.29Å; I420-M441 HydrophobicContact CG2-SD 4.46Å; L439-M441 HydrophobicContact CD1-CB 4.16Å; L439-M441 HydrophobicContact CD2-CB 4.37Å; L439-M441 HydrophobicContact CG-CB 4.02Å; M441-C443 PolarHBondContact O-SG 3.29Å
442K97.7Very high95.5Very high120 Ų12029.5 Ų29.552%0.52216%0.164SC..EExtended strand (participates in β ladder)trans-68.4138.1178.1-66.2177.9-177.1173.90109.5S416 N418 T419 I420S416-K442 WeakPolarHBondContact O-CE 3.33Å; N418-K442 PolarHBondContact O-N 3.13Å; T419-K442 CarbonylContact C-O 3.57Å; T419-K442 VanDerWaalsContact CA-O 3.29Å; T419-K442 WeakPolarHBondContact CA-O 3.4Å; T419-K442 HydrophobicContact CG2-CB 4.17Å; I420-K442 PolarHBondContact N-O 3.3Å
443C97.6Very high95.4Very high52 Ų5231.7 Ų31.735%0.35118%0.176SC..EExtended strand (participates in β ladder)trans-117.8126.7-179.4-60.70000109.4I420 L433 L439 M441I420-C443 HydrophobicContact CG2-CB 4.1Å; I420-C443 VanDerWaalsContact CG2-SG 3.57Å; L433-C443 HydrophobicContact CD1-CB 3.91Å; L433-C443 VanDerWaalsContact CD1-SG 3.51Å; L439-C443 VanDerWaalsContact CD2-SG 3.56Å; M441-C443 PolarHBondContact O-SG 3.29Å
444V97.6Very high95.2Very high25 Ų2532.2 Ų32.215%0.15218%0.178CC..EExtended strand (participates in β ladder)trans-125.6137.6178.8-178.40000108.4N284 T419 I420 I421 F422 C446N284-V444 HydrophobicContact CB-CG1 4.4Å; N284-V444 HydrophobicContact CB-CG2 4.33Å; T419-V444 HydrophobicContact CG2-CB 4.48Å; T419-V444 HydrophobicContact CG2-CG2 3.75Å; I420-V444 PolarHBondContact O-N 3.28Å; I421-V444 WeakPolarHBondContact CA-O 3.46Å; I421-V444 HydrophobicContact CG1-CB 4.22Å; I421-V444 HydrophobicContact CG2-CB 4.2Å; I421-V444 HydrophobicContact CG2-CG1 4.16Å; F422-V444 PolarHBondContact N-O 3.4Å; V444-C446 VanDerWaalsContact CG1-SG 3.53Å
445Y96.4Very high95Very high59 Ų5939 Ų3923%0.23121%0.208CC..EExtended strand (participates in β ladder)trans-117.6110.8177.5-177.5-126.7000109.2M269 F422 Y429 P447M269-Y445 HydrophobicContact CE-CE1 3.94Å; M269-Y445 HydrophobicContact SD-CE1 4.43Å; F422-Y445 HydrophobicContact CB-CD2 3.76Å; F422-Y445 HydrophobicContact CB-CE2 4.38Å; Y429-Y445 AromaticContact CD1-CD1 3.8Å; Y429-Y445 HydrophobicContact CD1-CD1 3.8Å; Y429-Y445 AromaticContact CD1-CD2 3.78Å; Y429-Y445 HydrophobicContact CD1-CD2 3.78Å; Y429-Y445 HydrophobicContact CD1-CE1 4.25Å; Y429-Y445 HydrophobicContact CD1-CE2 4.25Å; Y429-Y445 AromaticContact CD1-CG 3.54Å; Y429-Y445 HydrophobicContact CD1-CG 3.54Å; Y429-Y445 AromaticContact CE1-CD1 3.89Å; Y429-Y445 HydrophobicContact CE1-CD1 3.89Å; Y429-Y445 AromaticContact CE1-CG 3.9Å; Y429-Y445 HydrophobicContact CE1-CG 3.9Å; Y429-Y445 HydrophobicContact CG-CD2 4.07Å; Y429-Y445 HydrophobicContact CG-CG 4.09Å; Y445-P447 HydrophobicContact CD1-CG 4.17Å; Y445-P447 HydrophobicContact CE1-CB 4.17Å; Y445-P447 HydrophobicContact CE1-CG 3.64Å; Y445-P447 HydrophobicContact CE2-CB 3.95Å; Y445-P447 HydrophobicContact CE2-CG 4.22Å
446C96.3Very high94.9Very high2 Ų240.6 Ų40.61%0.01422%0.216CC..  trans-126.570.5-179.6-65.90000108.5M277 F281 I421 F422 T423 V444 I448M277-C446 HydrophobicContact CB-CB 4.44Å; F281-C446 HydrophobicContact CB-CB 4.2Å; I421-C446 HydrophobicContact CG2-CB 4.23Å; F422-C446 CarbonylContact O-C 3.57Å; F422-C446 PolarHBondContact O-N 3.5Å; T423-C446 WeakPolarHBondContact CA-O 3.48Å; V444-C446 VanDerWaalsContact CG1-SG 3.53Å; C446-I448 PolarHBondContact O-N 3.07Å
447P95.4Very high94.9Very high3 Ų340.3 Ų40.32%0.01922%0.215CC..  trans-64.4124.6-175.826.7-34.1000111.2M269 A272 M277 T423 P425 Y445M269-P447 HydrophobicContact CB-CB 4.42Å; M269-P447 HydrophobicContact CB-CG 4.33Å; M269-P447 HydrophobicContact CE-CG 4.15Å; M269-P447 HydrophobicContact CG-CB 3.97Å; M269-P447 HydrophobicContact CG-CG 4.03Å; A272-P447 HydrophobicContact CB-CG 4.03Å; M277-P447 WeakPolarHBondContact CG-O 3.46Å; T423-P447 CarbonylContact O-C 3.58Å; T423-P447 WeakPolarHBondContact O-CA 3.47Å; P425-P447 HydrophobicContact CB-CB 4.46Å; Y445-P447 HydrophobicContact CD1-CG 4.17Å; Y445-P447 HydrophobicContact CE1-CB 4.17Å; Y445-P447 HydrophobicContact CE1-CG 3.64Å; Y445-P447 HydrophobicContact CE2-CB 3.95Å; Y445-P447 HydrophobicContact CE2-CG 4.22Å
448I94.2Very high95Very high8 Ų838.2 Ų38.24%0.04121%0.208CC..  trans-109.490.6177.8-57.8164000107.4L278 V304 L308 T423 C446L278-I448 HydrophobicContact CD2-CD1 3.52Å; L278-I448 HydrophobicContact CD2-CG1 4.35Å; L278-I448 HydrophobicContact CG-CD1 4.05Å; L278-I448 HydrophobicContact CG-CG1 4.35Å; V304-I448 HydrophobicContact CG1-CB 3.92Å; V304-I448 HydrophobicContact CG1-CD1 4.41Å; V304-I448 HydrophobicContact CG1-CG2 3.59Å; L308-I448 HydrophobicContact CD1-CD1 3.96Å; T423-I448 HydrophobicContact CG2-CD1 3.98Å; T423-I448 PolarHBondContact O-N 3.38Å; C446-I448 PolarHBondContact O-N 3.07Å
449D93.5Very high95Very high13 Ų1337.8 Ų37.87%0.0719%0.193CC..  trans-115113.5176.9-169.6-5.1000109.9T267 Q268 P274 P425 R451T267-D449 WeakPolarHBondContact CA-OD2 3.34Å; T267-D449 VanDerWaalsContact CB-OD2 3.29Å; T267-D449 WeakPolarHBondContact CB-OD2 3.46Å; T267-D449 PolarHBondContact OG1-OD2 3.11Å; Q268-D449 PolarHBondContact N-OD2 2.73Å; P274-D449 WeakPolarHBondContact CG-O 3.49Å; P425-D449 HydrophobicContact CB-CB 4.41Å; P425-D449 HydrophobicContact CG-CB 3.95Å; D449-R451 VanDerWaalsContact OD1-CB 3.27Å; D449-R451 WeakPolarHBondContact OD1-CB 3.37Å; D449-R451 WeakPolarHBondContact OD1-CD 3.42Å; D449-R451 VanDerWaalsContact OD1-CG 3.27Å; D449-R451 WeakPolarHBondContact OD1-CG 3.45Å; D449-R451 PolarHBondContact OD1-N 3.07Å
450T94Very high95.1Very high11 Ų1136.4 Ų36.47%0.06719%0.186CC..  trans-92.91-177.559.50000112.6Y218 S241 L243 T245Y218-T450 WeakPolarHBondContact CD2-OG1 3.31Å; S241-T450 WeakPolarHBondContact CB-O 3.45Å; S241-T450 PolarHBondContact OG-O 3.15Å; L243-T450 HydrophobicContact CD1-CG2 4.35Å; T245-T450 HydrophobicContact CG2-CG2 4.15Å
451R95.7Very high95.1Very high10 Ų1034.6 Ų34.64%0.03817%0.169CC..SBendtrans-63.7158.1178.5-68.7169-1791588111.6Y218 S240 G265 D426 D449 N453Y218-R451 HydrophobicContact CD2-CG 3.77Å; Y218-R451 HydrophobicContact CE1-CG 4.39Å; Y218-R451 HydrophobicContact CE2-CG 3.47Å; Y218-R451 VanDerWaalsContact CE2-CG 3.47Å; Y218-R451 HydrophobicContact CG-CG 4.37Å; Y218-R451 VanDerWaalsContact CZ-NE 3.31Å; Y218-R451 PolarHBondContact OH-NE 3.24Å; Y218-R451 VanDerWaalsContact OH-NE 3.12Å; Y218-R451 PolarHBondContact OH-NH2 3.18Å; S240-R451 CarbonylContact O-C 3.53Å; S240-R451 VanDerWaalsContact O-CA 3.27Å; S240-R451 WeakPolarHBondContact O-CA 3.36Å; G265-R451 VanDerWaalsContact O-CD 3.31Å; G265-R451 WeakPolarHBondContact O-CD 3.37Å; D426-R451 IonicContact OD1-NH1 2.59Å; D449-R451 VanDerWaalsContact OD1-CB 3.27Å; D449-R451 WeakPolarHBondContact OD1-CB 3.37Å; D449-R451 WeakPolarHBondContact OD1-CD 3.42Å; D449-R451 VanDerWaalsContact OD1-CG 3.27Å; D449-R451 WeakPolarHBondContact OD1-CG 3.45Å; D449-R451 PolarHBondContact OD1-N 3.07Å; R451-N453 PolarHBondContact O-N 2.89Å
452L95.5Very high94.9Very high2 Ų242 Ų421%0.0120%0.201CC..PPolyproline II helixtrans-56.5132.7177.1-59.5177.5000112S240 L242 L266 T267 Q456 V457 L460S240-L452 WeakPolarHBondContact O-CG 3.41Å; S240-L452 PolarHBondContact O-N 3.46Å; L242-L452 HydrophobicContact CB-CD2 4.1Å; L242-L452 HydrophobicContact CD1-CD2 3.98Å; L242-L452 HydrophobicContact CG-CD2 3.61Å; L266-L452 HydrophobicContact CD2-CB 4.05Å; T267-L452 PolarHBondContact N-O 2.79Å; L452-Q456 HydrophobicContact CD2-CB 4.24Å; L452-V457 HydrophobicContact CB-CG2 3.77Å; L452-V457 HydrophobicContact CD1-CG2 4.2Å; L452-L460 HydrophobicContact CD1-CD2 3.94Å
453N93.9Very high94.7Very high46 Ų4641 Ų4125%0.24620%0.198CC..PPolyproline II helixtrans-89.2166.316768.441.1000112.1T267 R451 H455 Q456 V457T267-N453 HydrophobicContact CG2-CB 3.77Å; R451-N453 PolarHBondContact O-N 2.89Å; N453-H455 PolarHBondContact O-N 3.48Å; N453-H455 WeakPolarHBondContact OD1-CB 3.36Å; N453-H455 PolarHBondContact OD1-N 2.95Å; N453-H455 VanDerWaalsContact OD1-N 3.16Å; N453-Q456 PolarHBondContact O-N 2.84Å; N453-Q456 VanDerWaalsContact O-N 3.15Å; N453-Q456 WeakPolarHBondContact OD1-CB 3.24Å; N453-Q456 WeakPolarHBondContact OD1-CG 3.29Å; N453-Q456 PolarHBondContact OD1-N 3.02Å; N453-V457 WeakPolarHBondContact O-CG2 3.43Å; N453-V457 PolarHBondContact O-N 2.92Å
454F93Very high94.6Very high17 Ų1738.8 Ų38.88%0.07518%0.183CC..Hα-helixtrans-55.8-35.2-177.6-65.6-77.3000113.5L266 P270 S458 Y475 L488 L490L266-F454 HydrophobicContact CD1-CD1 4.12Å; L266-F454 HydrophobicContact CD1-CE1 3.9Å; P270-F454 HydrophobicContact CB-CD2 4.17Å; P270-F454 HydrophobicContact CB-CE2 4.4Å; P270-F454 HydrophobicContact CG-CE2 4.33Å; F454-S458 WeakPolarHBondContact O-CB 3.41Å; F454-S458 PolarHBondContact O-N 3.18Å; F454-S458 PolarHBondContact O-OG 2.98Å; F454-Y475 HydrophobicContact CE1-CD1 4.06Å; F454-Y475 HydrophobicContact CE1-CG 4.22Å; F454-Y475 HydrophobicContact CZ-CD1 4.05Å; F454-L488 HydrophobicContact CD2-CB 4.49Å; F454-L488 HydrophobicContact CE2-CB 4.49Å; F454-L488 WeakPolarHBondContact CE2-O 3.39Å; F454-L488 VanDerWaalsContact CZ-O 3.3Å; F454-L488 WeakPolarHBondContact CZ-O 3.29Å; F454-L490 HydrophobicContact CD1-CD2 3.73Å; F454-L490 HydrophobicContact CD1-CG 3.76Å; F454-L490 HydrophobicContact CE1-CG 4.13Å
455H92Very high94.4Very high148 Ų14844.8 Ų44.869%0.68521%0.209SC*.Hα-helixtrans-69.6-47177.4-177.580.1000112.2N453 V457 S458 K459N453-H455 PolarHBondContact O-N 3.48Å; N453-H455 WeakPolarHBondContact OD1-CB 3.36Å; N453-H455 PolarHBondContact OD1-N 2.95Å; N453-H455 VanDerWaalsContact OD1-N 3.16Å; H455-V457 VanDerWaalsContact C-N 3.34Å; H455-V457 PolarHBondContact O-N 3.34Å; H455-S458 WeakPolarHBondContact O-CB 3.41Å; H455-S458 PolarHBondContact O-N 2.8Å; H455-K459 PolarHBondContact O-N 2.9Å
456Q93.9Very high94.3Very high35 Ų3543 Ų4316%0.16421%0.205CC..Hα-helixtrans-61.3-42.7176.3-74.1170.8-27.400111.3L242 L452 N453 K459 L460L242-Q456 HydrophobicContact CD1-CB 4.35Å; L452-Q456 HydrophobicContact CD2-CB 4.24Å; N453-Q456 PolarHBondContact O-N 2.84Å; N453-Q456 VanDerWaalsContact O-N 3.15Å; N453-Q456 WeakPolarHBondContact OD1-CB 3.24Å; N453-Q456 WeakPolarHBondContact OD1-CG 3.29Å; N453-Q456 PolarHBondContact OD1-N 3.02Å; Q456-K459 PolarHBondContact O-N 3.06Å; Q456-L460 WeakPolarHBondContact O-CB 3.46Å; Q456-L460 PolarHBondContact O-N 2.95Å
457V95.1Very high94.1Very high1 Ų147.8 Ų47.81%0.00623%0.23CC..Hα-helixtrans-59.4-47.2173.8172.70000110.8L263 L266 L452 N453 H455 K459 L460 L461 L490L263-V457 HydrophobicContact CD2-CG1 3.48Å; L263-V457 VanDerWaalsContact CD2-CG1 3.48Å; L263-V457 HydrophobicContact CD2-CG2 4.23Å; L266-V457 HydrophobicContact CD1-CG2 4.13Å; L266-V457 HydrophobicContact CD2-CG2 3.41Å; L266-V457 VanDerWaalsContact CD2-CG2 3.41Å; L266-V457 HydrophobicContact CG-CG2 4.42Å; L452-V457 HydrophobicContact CB-CG2 3.77Å; L452-V457 HydrophobicContact CD1-CG2 4.2Å; N453-V457 WeakPolarHBondContact O-CG2 3.43Å; N453-V457 PolarHBondContact O-N 2.92Å; H455-V457 VanDerWaalsContact C-N 3.34Å; H455-V457 PolarHBondContact O-N 3.34Å; V457-K459 PolarHBondContact O-N 2.95Å; V457-L460 WeakPolarHBondContact O-CB 3.44Å; V457-L460 PolarHBondContact O-N 3.32Å; V457-L460 VanDerWaalsContact O-N 3.16Å; V457-L461 HydrophobicContact CG1-CD1 3.59Å; V457-L461 HydrophobicContact CG1-CG 4Å; V457-L461 WeakPolarHBondContact O-CB 3.36Å; V457-L461 VanDerWaalsContact O-CG 3.29Å; V457-L461 WeakPolarHBondContact O-CG 3.23Å; V457-L461 PolarHBondContact O-N 2.7Å; V457-L490 HydrophobicContact CB-CD2 3.94Å; V457-L490 HydrophobicContact CG1-CD1 4.46Å; V457-L490 HydrophobicContact CG1-CD2 3.53Å
458S93.7Very high94.1Very high29 Ų2949.8 Ų49.820%0.20324%0.239CC..Hα-helixtrans-59.8-37.4179.5-62.10000112F454 H455 K462F454-S458 WeakPolarHBondContact O-CB 3.41Å; F454-S458 PolarHBondContact O-N 3.18Å; F454-S458 PolarHBondContact O-OG 2.98Å; H455-S458 WeakPolarHBondContact O-CB 3.41Å; H455-S458 PolarHBondContact O-N 2.8Å; S458-K462 VanDerWaalsContact O-CG 3.27Å; S458-K462 WeakPolarHBondContact O-CG 3.48Å; S458-K462 PolarHBondContact O-N 3.48Å
459K93.9Very high94.2Very high122 Ų12250.1 Ų50.153%0.5324%0.241SC..Hα-helixtrans-67.7-48.6173.2-173.8-177.9175.8-173.90111.7H455 Q456 V457 L461 K462 E463H455-K459 PolarHBondContact O-N 2.9Å; Q456-K459 PolarHBondContact O-N 3.06Å; V457-K459 PolarHBondContact O-N 2.95Å; K459-L461 VanDerWaalsContact C-N 3.33Å; K459-L461 PolarHBondContact O-N 3.29Å; K459-K462 WeakPolarHBondContact O-CB 3.33Å; K459-K462 PolarHBondContact O-N 2.88Å; K459-E463 VanDerWaalsContact CE-OE1 3.24Å; K459-E463 WeakPolarHBondContact CE-OE1 3.19Å; K459-E463 PolarHBondContact O-N 2.82Å
460L95.3Very high94.4Very high4 Ų449.5 Ų49.52%0.02124%0.238CC..Hα-helixtrans-56.3-46.5178177.166.1000111.5M250 Q252 L452 Q456 V457 K462 E463 V464M250-L460 HydrophobicContact CE-CD1 3.67Å; M250-L460 HydrophobicContact CE-CD2 3.75Å; M250-L460 HydrophobicContact CE-CG 4.37Å; Q252-L460 HydrophobicContact CB-CD1 4.41Å; Q252-L460 HydrophobicContact CG-CD1 3.84Å; L452-L460 HydrophobicContact CD1-CD2 3.94Å; Q456-L460 WeakPolarHBondContact O-CB 3.46Å; Q456-L460 PolarHBondContact O-N 2.95Å; V457-L460 WeakPolarHBondContact O-CB 3.44Å; V457-L460 PolarHBondContact O-N 3.32Å; V457-L460 VanDerWaalsContact O-N 3.16Å; L460-K462 VanDerWaalsContact C-N 3.32Å; L460-K462 PolarHBondContact O-N 3.01Å; L460-E463 PolarHBondContact O-N 3.02Å; L460-E463 VanDerWaalsContact O-N 3.12Å; L460-V464 HydrophobicContact CD1-CG2 3.81Å; L460-V464 HydrophobicContact CG-CG2 4.19Å; L460-V464 WeakPolarHBondContact O-CB 3.42Å; L460-V464 VanDerWaalsContact O-CG2 3.31Å; L460-V464 WeakPolarHBondContact O-CG2 3.34Å; L460-V464 PolarHBondContact O-N 3.25Å
461L95Very high94.4Very high14 Ų1449 Ų497%0.07324%0.235CC..Hα-helixtrans-67-31.5-179.4-67.2176.1000112.7L261 V457 K459 E463 Q465 P466 V469 L492L261-L461 HydrophobicContact CD1-CD2 3.97Å; L261-L461 HydrophobicContact CD2-CD2 4.13Å; V457-L461 HydrophobicContact CG1-CD1 3.59Å; V457-L461 HydrophobicContact CG1-CG 4Å; V457-L461 WeakPolarHBondContact O-CB 3.36Å; V457-L461 VanDerWaalsContact O-CG 3.29Å; V457-L461 WeakPolarHBondContact O-CG 3.23Å; V457-L461 PolarHBondContact O-N 2.7Å; K459-L461 VanDerWaalsContact C-N 3.33Å; K459-L461 PolarHBondContact O-N 3.29Å; L461-E463 VanDerWaalsContact C-N 3.31Å; L461-Q465 WeakPolarHBondContact O-CA 3.45Å; L461-Q465 PolarHBondContact O-N 2.79Å; L461-P466 HydrophobicContact CD2-CG 3.92Å; L461-V469 HydrophobicContact CD1-CG1 4.39Å; L461-V469 HydrophobicContact CD1-CG2 4.23Å; L461-V469 HydrophobicContact CD2-CG2 4.01Å; L461-L492 HydrophobicContact CD1-CD1 3.52Å; L461-L492 HydrophobicContact CD1-CD2 3.68Å; L461-L492 HydrophobicContact CD1-CG 4.26Å
462K93.4Very high94.4Very high162 Ų16248.7 Ų48.770%0.70423%0.234SC*.Hα-helixtrans-65.9-33.1172-75.3172.2-176.7-179.50112.6S458 K459 L460 Q465S458-K462 VanDerWaalsContact O-CG 3.27Å; S458-K462 WeakPolarHBondContact O-CG 3.48Å; S458-K462 PolarHBondContact O-N 3.48Å; K459-K462 WeakPolarHBondContact O-CB 3.33Å; K459-K462 PolarHBondContact O-N 2.88Å; L460-K462 VanDerWaalsContact C-N 3.32Å; L460-K462 PolarHBondContact O-N 3.01Å; K462-Q465 WeakPolarHBondContact O-CG 3.36Å
463E93.6Very high94.3Very high98 Ų9850.4 Ų50.446%0.45824%0.242SC..Hα-helixtrans-82.9-36.4178.9-67.2178.7-162.900112.6K459 L460 L461K459-E463 VanDerWaalsContact CE-OE1 3.24Å; K459-E463 WeakPolarHBondContact CE-OE1 3.19Å; K459-E463 PolarHBondContact O-N 2.82Å; L460-E463 PolarHBondContact O-N 3.02Å; L460-E463 VanDerWaalsContact O-N 3.12Å; L461-E463 VanDerWaalsContact C-N 3.31Å
464V94.6Very high94.2Very high5 Ų552.9 Ų52.93%0.0325%0.252CS..Hα-helixtrans-81.1-32.6-178.4172.20000112.4L255 L261 L460L255-V464 HydrophobicContact CB-CG1 3.77Å; L255-V464 HydrophobicContact CB-CG2 3.9Å; L255-V464 HydrophobicContact CD1-CG2 4.45Å; L255-V464 WeakPolarHBondContact O-CG1 3.44Å; L261-V464 HydrophobicContact CD1-CG1 4.1Å; L460-V464 HydrophobicContact CD1-CG2 3.81Å; L460-V464 HydrophobicContact CG-CG2 4.19Å; L460-V464 WeakPolarHBondContact O-CB 3.42Å; L460-V464 VanDerWaalsContact O-CG2 3.31Å; L460-V464 WeakPolarHBondContact O-CG2 3.34Å; L460-V464 PolarHBondContact O-N 3.25Å
465Q93.6Very high94.3Very high152 Ų15252.5 Ų52.571%0.7125%0.25SS*.  trans46.358.3-179.1-58.6-173.1-2900113.7L461 K462L461-Q465 WeakPolarHBondContact O-CA 3.45Å; L461-Q465 PolarHBondContact O-N 2.79Å; K462-Q465 WeakPolarHBondContact O-CG 3.36Å
466P94.4Very high94.3Very high20 Ų2047.2 Ų47.213%0.1323%0.228CC..  trans-68149.817432.3-34.6000110.9S258 L261 L461 V469S258-P466 WeakPolarHBondContact O-CA 3.27Å; L261-P466 HydrophobicContact CB-CB 3.78Å; L261-P466 HydrophobicContact CB-CG 4.05Å; L261-P466 HydrophobicContact CD1-CB 4.43Å; L261-P466 HydrophobicContact CD1-CG 4.26Å; L461-P466 HydrophobicContact CD2-CG 3.92Å; P466-V469 HydrophobicContact CG-CG2 3.61Å
467L93.3Very high94.1Very high103 Ų10350.4 Ų50.454%0.53924%0.243SC..SBendtrans-65.5-42177.5-91.6163.4000112.2S258 D259S258-L467 PolarHBondContact O-N 3.26Å; D259-L467 VanDerWaalsContact O-CB 3.31Å; D259-L467 WeakPolarHBondContact O-CB 3.38Å
468H94.7Very high93.8Very high46 Ų4652.1 Ų52.121%0.21325%0.254CS..EExtended strand (participates in β ladder)trans-136.8139.3178.3-60.4-71.7000110.6D259 V260 L261 M497 P508D259-H468 PolarHBondContact O-N 3.49Å; D259-H468 VanDerWaalsContact O-N 3.12Å; V260-H468 CarbonylContact C-O 3.5Å; V260-H468 WeakPolarHBondContact CA-O 3.46Å; V260-H468 HydrophobicContact CG2-CB 4.41Å; L261-H468 PolarHBondContact N-O 3.43Å; H468-M497 HydrophobicContact CB-SD 4.49Å; H468-P508 HydrophobicContact CB-CG 4.09Å; H468-P508 WeakPolarHBondContact CD2-CG 3.25Å; H468-P508 VanDerWaalsContact CG-CG 3.44Å
469V96.6Very high93.5Very high15 Ų1553 Ų539%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-111.6132.5174.1-179.70000108.6L261 L461 P466 L492 P496 M497L261-V469 CarbonylContact O-C 3.1Å; L261-V469 WeakPolarHBondContact O-CA 3.15Å; L461-V469 HydrophobicContact CD1-CG1 4.39Å; L461-V469 HydrophobicContact CD1-CG2 4.23Å; L461-V469 HydrophobicContact CD2-CG2 4.01Å; P466-V469 HydrophobicContact CG-CG2 3.61Å; V469-L492 HydrophobicContact CB-CD1 4.12Å; V469-L492 HydrophobicContact CG1-CD1 4.04Å; V469-L492 HydrophobicContact CG2-CD1 4.16Å; V469-P496 HydrophobicContact CB-CB 4.3Å; V469-P496 HydrophobicContact CG1-CB 4.27Å; V469-P496 CarbonylContact O-C 3.56Å; V469-P496 WeakPolarHBondContact O-CA 3.33Å; V469-M497 PolarHBondContact O-N 2.99Å
470V96.6Very high93Very high0 Ų053.6 Ų53.60%028%0.275CS..EExtended strand (participates in β ladder)trans-120.2128.8178.41770000108L3 V260 L261 I262 L263 M497 Y499 L505 L507L3-V470 HydrophobicContact CD2-CG1 3.7Å; V260-V470 HydrophobicContact CG1-CB 4.47Å; V260-V470 HydrophobicContact CG1-CG2 3.66Å; L261-V470 PolarHBondContact O-N 2.83Å; I262-V470 CarbonylContact C-O 3.53Å; I262-V470 WeakPolarHBondContact CA-O 3.2Å; I262-V470 HydrophobicContact CG1-CB 4.19Å; L263-V470 PolarHBondContact N-O 3.1Å; V470-M497 WeakPolarHBondContact CA-O 3.45Å; V470-M497 HydrophobicContact CG2-CB 4.15Å; V470-M497 HydrophobicContact CG2-SD 4.42Å; V470-Y499 HydrophobicContact CG1-CD1 3.58Å; V470-Y499 HydrophobicContact CG1-CE1 3.88Å; V470-L505 HydrophobicContact CG1-CD2 3.66Å; V470-L505 HydrophobicContact CG2-CD2 4.19Å; V470-L507 HydrophobicContact CG2-CD2 3.73Å
471C95.8Very high92.4Very high0 Ų058.1 Ų58.10%031%0.314CS..EExtended strand (participates in β ladder)trans-148.9160.9-17764.30000112.4L263 Y475 L490 M497 P498 Y499L263-C471 HydrophobicContact CB-CB 4.43Å; C471-Y475 HydrophobicContact CB-CD2 4.12Å; C471-L490 HydrophobicContact CB-CD1 4.49Å; C471-M497 PolarHBondContact N-O 2.95Å; C471-M497 VanDerWaalsContact N-O 3.15Å; C471-P498 CarbonylContact O-C 3.45Å; C471-P498 VanDerWaalsContact O-CA 3.26Å; C471-P498 WeakPolarHBondContact O-CA 3.41Å; C471-Y499 VanDerWaalsContact C-CD1 3.45Å; C471-Y499 WeakPolarHBondContact O-CD1 3.34Å; C471-Y499 WeakPolarHBondContact O-CE1 3.31Å; C471-Y499 PolarHBondContact O-N 3.12Å
472P95.3Very high91.9Very high3 Ų360.9 Ų60.92%0.01933%0.326CS..EExtended strand (participates in β ladder)trans-53.9139.9167.9-24.431.5000111.2P10 L263 T264 Q474 Y475 Y499P10-P472 HydrophobicContact CB-CB 3.91Å; P10-P472 HydrophobicContact CB-CG 3.9Å; L263-P472 WeakPolarHBondContact O-CD 3.2Å; T264-P472 HydrophobicContact CG2-CG 4.48Å; P472-Q474 VanDerWaalsContact CB-OE1 3.27Å; P472-Q474 PolarHBondContact O-N 2.79Å; P472-Q474 VanDerWaalsContact O-N 3.14Å; P472-Y475 HydrophobicContact CB-CD2 4.28Å; P472-Y475 HydrophobicContact CB-CE2 4.34Å; P472-Y475 HydrophobicContact CG-CD2 4.05Å; P472-Y475 HydrophobicContact CG-CE2 3.77Å; P472-Y475 WeakPolarHBondContact O-CB 3.49Å; P472-Y475 PolarHBondContact O-N 3.05Å; P472-Y499 HydrophobicContact CG-CE1 4.42Å; P472-Y499 HydrophobicContact CG-CE2 4.25Å
473E93.6Very high91.5Very high39 Ų3957.4 Ų57.418%0.18232%0.323CS..G310 helixtrans-57.8-30.9-180-175.7-178-128.600113.1Y475 T476 Q477 P498 Y499 R500E473-Y475 PolarHBondContact O-N 2.98Å; E473-T476 PolarHBondContact O-N 3.3Å; E473-T476 PolarHBondContact O-OG1 2.82Å; E473-Q477 PolarHBondContact OE1-NE2 2.98Å; E473-P498 HydrophobicContact CB-CB 3.97Å; E473-P498 HydrophobicContact CG-CB 4.14Å; E473-Y499 PolarHBondContact N-O 3.17Å; E473-R500 HydrophobicContact CB-CG 4.04Å; E473-R500 VanDerWaalsContact CD-NH2 3.26Å; E473-R500 IonicContact OE1-CZ 3.63Å; E473-R500 IonicContact OE1-NE 3.59Å; E473-R500 PolarHBondContact OE1-NE 3.13Å; E473-R500 IonicContact OE1-NH2 3.2Å; E473-R500 PolarHBondContact OE1-NH2 3.04Å; E473-R500 WeakPolarHBondContact OE2-CD 3.28Å; E473-R500 WeakPolarHBondContact OE2-CG 3.42Å; E473-R500 IonicContact OE2-CZ 3.3Å; E473-R500 IonicContact OE2-NE 3.95Å; E473-R500 PolarHBondContact OE2-NE 3.07Å; E473-R500 IonicContact OE2-NH2 3.12Å; E473-R500 PolarHBondContact OE2-NH2 2.98Å; E473-R500 VanDerWaalsContact OE2-NH2 3.15Å
474Q91.9Very high91.2Very high97 Ų9759.6 Ų59.645%0.45333%0.332SS..G310 helixtrans-57.8-18.1178-60.894.5-2900113.2G8 P472G8-Q474 PolarHBondContact O-NE2 2.98Å; P472-Q474 VanDerWaalsContact CB-OE1 3.27Å; P472-Q474 PolarHBondContact O-N 2.79Å; P472-Q474 VanDerWaalsContact O-N 3.14Å
475Y93.7Very high90.8Very high10 Ų1062.8 Ų62.84%0.03934%0.344CS..G310 helixtrans-89-7.3176-60-21.3000113.7P10 G265 L266 F454 C471 P472 E473 L490P10-Y475 HydrophobicContact CB-CE1 3.86Å; P10-Y475 HydrophobicContact CB-CE2 4.41Å; P10-Y475 WeakPolarHBondContact CB-OH 3.39Å; P10-Y475 HydrophobicContact CG-CE1 4.38Å; P10-Y475 PolarHBondContact O-OH 3.15Å; G265-Y475 PolarHBondContact N-OH 3.15Å; L266-Y475 HydrophobicContact CB-CE1 3.96Å; L266-Y475 HydrophobicContact CB-CE2 4.11Å; L266-Y475 HydrophobicContact CD1-CD1 4.19Å; L266-Y475 HydrophobicContact CD1-CD2 3.69Å; L266-Y475 HydrophobicContact CD1-CE1 4.22Å; L266-Y475 HydrophobicContact CD1-CE2 3.75Å; L266-Y475 HydrophobicContact CD1-CG 3.93Å; L266-Y475 HydrophobicContact CG-CD2 4.07Å; L266-Y475 HydrophobicContact CG-CE1 4.24Å; L266-Y475 HydrophobicContact CG-CE2 3.58Å; L266-Y475 PolarHBondContact N-OH 2.99Å; F454-Y475 HydrophobicContact CE1-CD1 4.06Å; F454-Y475 HydrophobicContact CE1-CG 4.22Å; F454-Y475 HydrophobicContact CZ-CD1 4.05Å; C471-Y475 HydrophobicContact CB-CD2 4.12Å; P472-Y475 HydrophobicContact CB-CD2 4.28Å; P472-Y475 HydrophobicContact CB-CE2 4.34Å; P472-Y475 HydrophobicContact CG-CD2 4.05Å; P472-Y475 HydrophobicContact CG-CE2 3.77Å; P472-Y475 WeakPolarHBondContact O-CB 3.49Å; P472-Y475 PolarHBondContact O-N 3.05Å; E473-Y475 PolarHBondContact O-N 2.98Å; Y475-L490 PolarHBondContact O-N 2.76Å
476T92.4Very high90.3Very high36 Ų3658.5 Ų58.522%0.22133%0.33CS..SBendtrans-100.3-3.8-178.765.70000113.4E473 P496 P498E473-T476 PolarHBondContact O-N 3.3Å; E473-T476 PolarHBondContact O-OG1 2.82Å; T476-P496 HydrophobicContact CG2-CG 3.84Å; T476-P498 HydrophobicContact CG2-CB 4.07Å
477Q90.4Very high89.7Confident102 Ų10261.6 Ų61.648%0.47735%0.346SS..SBendtrans-131.1145.2-177.4-61.4178.618.600109E473E473-Q477 PolarHBondContact OE1-NE2 2.98Å
478P88.3Confident89.5Confident38 Ų3857.1 Ų57.125%0.24732%0.323CS..  trans-65.7151.6174.629.7-33.5000109.7S483P478-S483 WeakPolarHBondContact CG-O 3.25Å
479P86.3Confident89.3Confident47 Ų4756.8 Ų56.831%0.30532%0.321SS..  trans-53.9137.3177.7-25.733.8000111.4A481 Q482 S483 L488P479-A481 PolarHBondContact O-N 2.85Å; P479-A481 VanDerWaalsContact O-N 3.11Å; P479-Q482 CarbonylContact O-C 3.54Å; P479-Q482 WeakPolarHBondContact O-CA 3.34Å; P479-Q482 PolarHBondContact O-N 3.36Å; P479-S483 PolarHBondContact O-N 2.83Å; P479-L488 HydrophobicContact CG-CB 4.18Å; P479-L488 HydrophobicContact CG-CD1 4.16Å
480P83.4Confident88.9Confident134 Ų13456.4 Ų56.487%0.8732%0.319SS*.G310 helixtrans-56.2-34.2-177-28.134.6000114.1Q482P480-Q482 VanDerWaalsContact C-N 3.26Å; P480-Q482 PolarHBondContact O-N 3.1Å
481A83.4Confident88.5Confident100 Ų10062.5 Ų62.583%0.82635%0.348SS*.G310 helixtrans-71.5-18.3176.400000113.7P479P479-A481 PolarHBondContact O-N 2.85Å; P479-A481 VanDerWaalsContact O-N 3.11Å
482Q83.8Confident88.1Confident71 Ų7164.1 Ų64.133%0.33236%0.356SS..G310 helixtrans-137.854.1-174.9-63.2-175.6-4.100110.8P479 P480 H484 R485P479-Q482 CarbonylContact O-C 3.54Å; P479-Q482 WeakPolarHBondContact O-CA 3.34Å; P479-Q482 PolarHBondContact O-N 3.36Å; P480-Q482 VanDerWaalsContact C-N 3.26Å; P480-Q482 PolarHBondContact O-N 3.1Å; Q482-H484 PolarHBondContact O-N 2.9Å; Q482-R485 HydrophobicContact CB-CB 4.23Å; Q482-R485 HydrophobicContact CB-CG 3.89Å; Q482-R485 WeakPolarHBondContact O-CB 3.33Å; Q482-R485 PolarHBondContact O-N 3.14Å
483S86.4Confident87.6Confident90 Ų9073.4 Ų73.463%0.62940%0.399SS*.THydrogen-bonded Turntrans-59.2-18.6-174.956.40000115.4P478 P479P478-S483 WeakPolarHBondContact CG-O 3.25Å; P479-S483 PolarHBondContact O-N 2.83Å
484H86.6Confident87.3Confident144 Ų14475.9 Ų75.967%0.66742%0.419SS*.THydrogen-bonded Turntrans-82.9-10.9177.360.8-81.9000113.8Q482 S486Q482-H484 PolarHBondContact O-N 2.9Å; H484-S486 PolarHBondContact O-N 2.92Å
485R86.3Confident87.3Confident72 Ų7276.2 Ų76.227%0.27243%0.429SS..  trans-90.575.8-174.6-67.9-67.7-63.3-88.3-2.4111.6Q482 D487 L488Q482-R485 HydrophobicContact CB-CB 4.23Å; Q482-R485 HydrophobicContact CB-CG 3.89Å; Q482-R485 WeakPolarHBondContact O-CB 3.33Å; Q482-R485 PolarHBondContact O-N 3.14Å; R485-D487 WeakPolarHBondContact CA-OD1 3.5Å; R485-D487 WeakPolarHBondContact CB-OD1 3.41Å; R485-D487 WeakPolarHBondContact CD-OD1 3.32Å; R485-D487 IonicContact CZ-OD1 2.9Å; R485-D487 IonicContact CZ-OD2 3.23Å; R485-D487 IonicContact NE-OD1 3.83Å; R485-D487 PolarHBondContact NE-OD1 2.95Å; R485-D487 IonicContact NE-OD2 3.22Å; R485-D487 PolarHBondContact NE-OD2 3.3Å; R485-D487 IonicContact NH2-OD1 3.86Å; R485-D487 IonicContact NH2-OD2 2.65Å; R485-D487 PolarHBondContact NH2-OD2 2.95Å; R485-D487 PolarHBondContact O-N 2.98Å; R485-L488 HydrophobicContact CB-CB 4.37Å; R485-L488 HydrophobicContact CB-CD1 3.9Å; R485-L488 HydrophobicContact CB-CG 3.94Å; R485-L488 HydrophobicContact CG-CD1 4.36Å; R485-L488 PolarHBondContact O-N 3.11Å; R485-L488 VanDerWaalsContact O-N 3.09Å
486S82.7Confident87.3Confident61 Ų6176.6 Ų76.643%0.42743%0.433SS..G310 helixtrans-64.6-17.3175.759.10000113.5H484 L488 M489H484-S486 PolarHBondContact O-N 2.92Å; S486-L488 PolarHBondContact O-N 2.64Å; S486-M489 VanDerWaalsContact O-CG 3.25Å; S486-M489 WeakPolarHBondContact O-CG 3.31Å; S486-M489 PolarHBondContact O-N 3.26Å
487D83.1Confident87.5Confident86 Ų8677 Ų7746%0.4643%0.433SS..G310 helixtrans-68.8-13.8172.262-57.7000113.6R485R485-D487 WeakPolarHBondContact CA-OD1 3.5Å; R485-D487 WeakPolarHBondContact CB-OD1 3.41Å; R485-D487 WeakPolarHBondContact CD-OD1 3.32Å; R485-D487 IonicContact CZ-OD1 2.9Å; R485-D487 IonicContact CZ-OD2 3.23Å; R485-D487 IonicContact NE-OD1 3.83Å; R485-D487 PolarHBondContact NE-OD1 2.95Å; R485-D487 IonicContact NE-OD2 3.22Å; R485-D487 PolarHBondContact NE-OD2 3.3Å; R485-D487 IonicContact NH2-OD1 3.86Å; R485-D487 IonicContact NH2-OD2 2.65Å; R485-D487 PolarHBondContact NH2-OD2 2.95Å; R485-D487 PolarHBondContact O-N 2.98Å
488L87.4Confident87.7Confident9 Ų975 Ų755%0.04743%0.428CS..G310 helixtrans-100.826.9179-57.3-173.4000113.1P270 T271 F454 P479 R485 S486P270-L488 HydrophobicContact CB-CD2 3.67Å; P270-L488 HydrophobicContact CG-CD1 4.18Å; P270-L488 HydrophobicContact CG-CD2 3.48Å; P270-L488 VanDerWaalsContact CG-CD2 3.48Å; P270-L488 HydrophobicContact CG-CG 4.3Å; T271-L488 HydrophobicContact CG2-CD1 4.32Å; T271-L488 HydrophobicContact CG2-CD2 4.45Å; F454-L488 HydrophobicContact CD2-CB 4.49Å; F454-L488 HydrophobicContact CE2-CB 4.49Å; F454-L488 WeakPolarHBondContact CE2-O 3.39Å; F454-L488 VanDerWaalsContact CZ-O 3.3Å; F454-L488 WeakPolarHBondContact CZ-O 3.29Å; P479-L488 HydrophobicContact CG-CB 4.18Å; P479-L488 HydrophobicContact CG-CD1 4.16Å; R485-L488 HydrophobicContact CB-CB 4.37Å; R485-L488 HydrophobicContact CB-CD1 3.9Å; R485-L488 HydrophobicContact CB-CG 3.94Å; R485-L488 HydrophobicContact CG-CD1 4.36Å; R485-L488 PolarHBondContact O-N 3.11Å; R485-L488 VanDerWaalsContact O-N 3.09Å; S486-L488 PolarHBondContact O-N 2.64Å
489M90.5Very high88Confident38 Ų3873.8 Ų73.819%0.18742%0.419CS..SBendtrans-141.6166.1171.865.8176.8-170.400111.2S486 E491S486-M489 VanDerWaalsContact O-CG 3.25Å; S486-M489 WeakPolarHBondContact O-CG 3.31Å; S486-M489 PolarHBondContact O-N 3.26Å; M489-E491 HydrophobicContact CE-CG 3.63Å; M489-E491 WeakPolarHBondContact CE-OE1 3.39Å; M489-E491 HydrophobicContact CG-CG 4.34Å; M489-E491 PolarHBondContact O-N 3.11Å
490L90.1Very high88.3Confident7 Ų778.5 Ų78.54%0.03743%0.431CS..  trans-86.1101.2176.3-65.7177.3000110.8L263 L266 F454 V457 C471 Y475 L492L263-L490 HydrophobicContact CD2-CD1 3.82Å; L266-L490 HydrophobicContact CD1-CD1 4.35Å; F454-L490 HydrophobicContact CD1-CD2 3.73Å; F454-L490 HydrophobicContact CD1-CG 3.76Å; F454-L490 HydrophobicContact CE1-CG 4.13Å; V457-L490 HydrophobicContact CB-CD2 3.94Å; V457-L490 HydrophobicContact CG1-CD1 4.46Å; V457-L490 HydrophobicContact CG1-CD2 3.53Å; C471-L490 HydrophobicContact CB-CD1 4.49Å; Y475-L490 PolarHBondContact O-N 2.76Å; L490-L492 HydrophobicContact CB-CG 4.44Å
491E87.1Confident88.7Confident129 Ų12974.8 Ų74.860%0.60340%0.399SS*.  trans-93.9100.6167.6-69.1-174.4175.900110.2M489M489-E491 HydrophobicContact CE-CG 3.63Å; M489-E491 WeakPolarHBondContact CE-OE1 3.39Å; M489-E491 HydrophobicContact CG-CG 4.34Å; M489-E491 PolarHBondContact O-N 3.11Å
492L87.9Confident89Confident33 Ų3372.9 Ų72.917%0.17338%0.379CS..  trans-118.8153.3-179.4-53.1172.2000111.5L461 V469 L490 P494 P495 P496L461-L492 HydrophobicContact CD1-CD1 3.52Å; L461-L492 HydrophobicContact CD1-CD2 3.68Å; L461-L492 HydrophobicContact CD1-CG 4.26Å; V469-L492 HydrophobicContact CB-CD1 4.12Å; V469-L492 HydrophobicContact CG1-CD1 4.04Å; V469-L492 HydrophobicContact CG2-CD1 4.16Å; L490-L492 HydrophobicContact CB-CG 4.44Å; L492-P494 CarbonylContact C-O 3.53Å; L492-P494 CarbonylContact O-C 3.56Å; L492-P495 WeakPolarHBondContact O-CA 3.32Å; L492-P496 HydrophobicContact CD1-CB 4.16Å; L492-P496 HydrophobicContact CD1-CG 4.34Å
493Q85.2Confident89.4Confident198 Ų19871.1 Ų71.193%0.92538%0.375SS*.SBendtrans-126117.2168.6-67.1-162.40.400109.6
494P87.7Confident89.8Confident92 Ų9270.2 Ų70.260%0.59737%0.365SS*.SBendcis-63.5158-5.429.7-35.7000112.6L492L492-P494 CarbonylContact C-O 3.53Å; L492-P494 CarbonylContact O-C 3.56Å
495P91.3Very high90.2Very high104 Ų10464.9 Ų64.968%0.67534%0.342SS*.PPolyproline II helixtrans-61.3147.6-179.325.7-34.4000111.3L492L492-P495 WeakPolarHBondContact O-CA 3.32Å
496P94.1Very high90.5Very high17 Ų1763.9 Ų63.911%0.1135%0.353CS..PPolyproline II helixtrans-66.5158176.529.8-33000110.9V469 T476 L492 P498V469-P496 HydrophobicContact CB-CB 4.3Å; V469-P496 HydrophobicContact CG1-CB 4.27Å; V469-P496 CarbonylContact O-C 3.56Å; V469-P496 WeakPolarHBondContact O-CA 3.33Å; T476-P496 HydrophobicContact CG2-CG 3.84Å; L492-P496 HydrophobicContact CD1-CB 4.16Å; L492-P496 HydrophobicContact CD1-CG 4.34Å; P496-P498 WeakPolarHBondContact O-CD 3.49Å
497M95.4Very high90.8Very high46 Ų4661.5 Ų61.523%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-91.5104.2173.5-59.8178.868.100109.1H468 V469 V470 C471 L505 P508H468-M497 HydrophobicContact CB-SD 4.49Å; V469-M497 PolarHBondContact O-N 2.99Å; V470-M497 WeakPolarHBondContact CA-O 3.45Å; V470-M497 HydrophobicContact CG2-CB 4.15Å; V470-M497 HydrophobicContact CG2-SD 4.42Å; C471-M497 PolarHBondContact N-O 2.95Å; C471-M497 VanDerWaalsContact N-O 3.15Å; M497-L505 HydrophobicContact CB-CD2 4.06Å; M497-L505 HydrophobicContact CE-CD1 3.97Å; M497-L505 HydrophobicContact CE-CD2 4.23Å; M497-L505 HydrophobicContact CE-CG 4.17Å; M497-P508 HydrophobicContact CE-CG 4.32Å; M497-P508 HydrophobicContact SD-CG 3.73Å
498P95.3Very high90.9Very high58 Ų5859.5 Ų59.538%0.37733%0.327SS..EExtended strand (participates in β ladder)trans-74.4150.6-179.630.7-35000111.6C471 E473 T476 P496C471-P498 CarbonylContact O-C 3.45Å; C471-P498 VanDerWaalsContact O-CA 3.26Å; C471-P498 WeakPolarHBondContact O-CA 3.41Å; E473-P498 HydrophobicContact CB-CB 3.97Å; E473-P498 HydrophobicContact CG-CB 4.14Å; T476-P498 HydrophobicContact CG2-CB 4.07Å; P496-P498 WeakPolarHBondContact O-CD 3.49Å
499Y93.9Very high90.5Very high13 Ų1361.2 Ų61.25%0.05134%0.335CS..EExtended strand (participates in β ladder)trans-132.4156.1166.666.2-97.5000111.5L3 C5 N15 T264 V470 C471 P472 E473L3-Y499 HydrophobicContact CD2-CD1 4.29Å; L3-Y499 HydrophobicContact CD2-CE1 4.44Å; C5-Y499 HydrophobicContact CB-CD2 3.69Å; C5-Y499 HydrophobicContact CB-CE2 4.19Å; C5-Y499 WeakPolarHBondContact SG-CD2 3.44Å; C5-Y499 WeakPolarHBondContact SG-CE2 3.41Å; N15-Y499 PolarHBondContact ND2-OH 3.12Å; T264-Y499 WeakPolarHBondContact CG2-OH 3.37Å; V470-Y499 HydrophobicContact CG1-CD1 3.58Å; V470-Y499 HydrophobicContact CG1-CE1 3.88Å; C471-Y499 VanDerWaalsContact C-CD1 3.45Å; C471-Y499 WeakPolarHBondContact O-CD1 3.34Å; C471-Y499 WeakPolarHBondContact O-CE1 3.31Å; C471-Y499 PolarHBondContact O-N 3.12Å; P472-Y499 HydrophobicContact CG-CE1 4.42Å; P472-Y499 HydrophobicContact CG-CE2 4.25Å; E473-Y499 PolarHBondContact N-O 3.17Å
500R93.2Very high89.3Confident147 Ų14770.1 Ų70.156%0.55537%0.366SS*.  trans-123.6164.5177.9-60179.4-172.7-170.1-12110.5C5 E473 C502 S503C5-R500 VanDerWaalsContact CB-O 3.3Å; C5-R500 WeakPolarHBondContact CB-O 3.46Å; E473-R500 HydrophobicContact CB-CG 4.04Å; E473-R500 VanDerWaalsContact CD-NH2 3.26Å; E473-R500 IonicContact OE1-CZ 3.63Å; E473-R500 IonicContact OE1-NE 3.59Å; E473-R500 PolarHBondContact OE1-NE 3.13Å; E473-R500 IonicContact OE1-NH2 3.2Å; E473-R500 PolarHBondContact OE1-NH2 3.04Å; E473-R500 WeakPolarHBondContact OE2-CD 3.28Å; E473-R500 WeakPolarHBondContact OE2-CG 3.42Å; E473-R500 IonicContact OE2-CZ 3.3Å; E473-R500 IonicContact OE2-NE 3.95Å; E473-R500 PolarHBondContact OE2-NE 3.07Å; E473-R500 IonicContact OE2-NH2 3.12Å; E473-R500 PolarHBondContact OE2-NH2 2.98Å; E473-R500 VanDerWaalsContact OE2-NH2 3.15Å; R500-C502 PolarHBondContact O-N 2.85Å; R500-S503 PolarHBondContact N-OG 3.46Å; R500-S503 VanDerWaalsContact O-CB 3.24Å; R500-S503 WeakPolarHBondContact O-CB 3.42Å; R500-S503 PolarHBondContact O-N 2.88Å; R500-S503 VanDerWaalsContact O-N 3.09Å; R500-S503 PolarHBondContact O-OG 3.01Å
501R90.6Very high88.1Confident55 Ų5576.2 Ų76.221%0.20839%0.389CS..THydrogen-bonded Turntrans-50.6139.1168.5-166.8-178.3170.5141.23.7110.1L85 E87 S503L85-R501 PolarHBondContact O-NH2 3.27Å; E87-R501 IonicContact OE2-NE 3.02Å; E87-R501 IonicContact OE2-NH2 3.36Å; R501-S503 PolarHBondContact O-N 2.89Å
502C89.9Confident87.2Confident60 Ų6081.5 Ų81.541%0.40540%0.403SS..THydrogen-bonded Turntrans64.715.3-178.8-500000115.1C5 R500C5-C502 WeakPolarHBondContact O-CA 3.38Å; C5-C502 PolarHBondContact O-N 3.28Å; R500-C502 PolarHBondContact O-N 2.85Å
503S93Very high86.5Confident35 Ų3589.3 Ų89.325%0.24543%0.43CS..  trans-96151.9176.671.80000112.6C5 R500 R501C5-S503 PolarHBondContact N-O 3.45Å; R500-S503 PolarHBondContact N-OG 3.46Å; R500-S503 VanDerWaalsContact O-CB 3.24Å; R500-S503 WeakPolarHBondContact O-CB 3.42Å; R500-S503 PolarHBondContact O-N 2.88Å; R500-S503 VanDerWaalsContact O-N 3.09Å; R500-S503 PolarHBondContact O-OG 3.01Å; R501-S503 PolarHBondContact O-N 2.89Å
504V94.8Very high85.9Confident70 Ų7084.6 Ų84.642%0.42441%0.409SS..EExtended strand (participates in β ladder)trans-118.6113.8173.1-172.70000108.7K2 L3 Y4 L90K2-V504 HydrophobicContact CB-CG1 4.3Å; K2-V504 HydrophobicContact CD-CG1 4.22Å; L3-V504 CarbonylContact O-C 3.34Å; L3-V504 WeakPolarHBondContact O-CA 3.47Å; Y4-V504 HydrophobicContact CD1-CB 4.32Å; Y4-V504 HydrophobicContact CD1-CG1 3.96Å; Y4-V504 HydrophobicContact CD1-CG2 3.49Å; Y4-V504 VanDerWaalsContact CD1-CG2 3.49Å; Y4-V504 HydrophobicContact CE1-CB 4.38Å; Y4-V504 HydrophobicContact CE1-CG1 3.74Å; Y4-V504 HydrophobicContact CE1-CG2 3.67Å; Y4-V504 HydrophobicContact CE2-CG1 4.41Å; Y4-V504 HydrophobicContact CG-CG1 4.38Å; Y4-V504 HydrophobicContact CG-CG2 4.36Å; L90-V504 HydrophobicContact CD1-CG2 3.93Å; L90-V504 HydrophobicContact CD2-CG2 4.2Å; L90-V504 HydrophobicContact CG-CG2 4.33Å
505L94.3Very high85.6Confident33 Ų3387 Ų8717%0.17341%0.406CS..EExtended strand (participates in β ladder)trans-102.1124.9-179.4-171.468.1000110.4K2 L3 V470 M497 L507K2-L505 CarbonylContact C-O 3.5Å; K2-L505 WeakPolarHBondContact CA-O 3.44Å; L3-L505 HydrophobicContact CB-CB 4.35Å; L3-L505 PolarHBondContact N-O 2.88Å; L3-L505 PolarHBondContact O-N 3.47Å; V470-L505 HydrophobicContact CG1-CD2 3.66Å; V470-L505 HydrophobicContact CG2-CD2 4.19Å; M497-L505 HydrophobicContact CB-CD2 4.06Å; M497-L505 HydrophobicContact CE-CD1 3.97Å; M497-L505 HydrophobicContact CE-CD2 4.23Å; M497-L505 HydrophobicContact CE-CG 4.17Å; L505-L507 HydrophobicContact CD2-CD2 4.23Å
506G92.8Very high85.3Confident50 Ų5085.9 Ų85.952%0.51539%0.393SS..EExtended strand (participates in β ladder)trans-78.1117.6168.800000110
507L89.9Confident85Confident11 Ų1190.3 Ų90.36%0.05841%0.413CS..PPolyproline II helixtrans-78.7135.1179-63.8-178.2000110.6M1 L3 L17 V260 V470 L505 F509M1-L507 HydrophobicContact CB-CB 4.35Å; M1-L507 HydrophobicContact CB-CD1 4.37Å; M1-L507 HydrophobicContact CG-CD1 4.11Å; M1-L507 PolarHBondContact O-N 3.43Å; M1-L507 VanDerWaalsContact O-N 3.09Å; M1-L507 HydrophobicContact SD-CD1 3.74Å; L3-L507 HydrophobicContact CB-CD2 4.4Å; L3-L507 HydrophobicContact CB-CG 4.4Å; L17-L507 HydrophobicContact CD1-CD1 3.63Å; V260-L507 HydrophobicContact CG1-CD1 4.43Å; V260-L507 HydrophobicContact CG1-CD2 4.18Å; V470-L507 HydrophobicContact CG2-CD2 3.73Å; L505-L507 HydrophobicContact CD2-CD2 4.23Å; L507-F509 HydrophobicContact CB-CD2 3.73Å; L507-F509 HydrophobicContact CB-CE2 3.38Å; L507-F509 HydrophobicContact CB-CZ 4.38Å; L507-F509 HydrophobicContact CD1-CE2 3.85Å; L507-F509 HydrophobicContact CD1-CZ 4.41Å; L507-F509 HydrophobicContact CG-CE2 4.27Å; L507-F509 PolarHBondContact O-N 3.34Å
508P83.6Confident84.7Confident44 Ų4491.4 Ų91.429%0.28642%0.419SS..  trans-81.360-166.935.4-39.4000112.8H468 M497H468-P508 HydrophobicContact CB-CG 4.09Å; H468-P508 WeakPolarHBondContact CD2-CG 3.25Å; H468-P508 VanDerWaalsContact CG-CG 3.44Å; M497-P508 HydrophobicContact CE-CG 4.32Å; M497-P508 HydrophobicContact SD-CG 3.73Å
509F80.5Confident84.5Confident46 Ų4691.2 Ų91.220%0.20242%0.415CS..  trans-77.3126173.8-66.4-74.7000110.8M1 E232 V234 D259 V260 L507M1-F509 HydrophobicContact CB-CD2 3.64Å; M1-F509 HydrophobicContact CB-CE2 3.45Å; M1-F509 VanDerWaalsContact CB-CE2 3.45Å; M1-F509 HydrophobicContact CE-CE2 4.31Å; M1-F509 HydrophobicContact CE-CZ 4.31Å; M1-F509 HydrophobicContact CG-CE2 4.07Å; M1-F509 HydrophobicContact SD-CD2 4.49Å; M1-F509 HydrophobicContact SD-CE2 3.45Å; M1-F509 WeakPolarHBondContact SD-CE2 3.49Å; M1-F509 HydrophobicContact SD-CZ 3.76Å; E232-F509 HydrophobicContact CB-CD1 3.95Å; E232-F509 HydrophobicContact CB-CE1 3.68Å; E232-F509 HydrophobicContact CB-CZ 4.46Å; E232-F509 HydrophobicContact CG-CD1 3.34Å; E232-F509 HydrophobicContact CG-CE1 3.64Å; E232-F509 HydrophobicContact CG-CG 4.08Å; V234-F509 HydrophobicContact CG2-CE1 4.45Å; V234-F509 HydrophobicContact CG2-CZ 3.69Å; D259-F509 HydrophobicContact CB-CD1 4.46Å; D259-F509 HydrophobicContact CB-CE1 3.95Å; V260-F509 HydrophobicContact CB-CZ 4.36Å; V260-F509 HydrophobicContact CG2-CE1 3.95Å; V260-F509 HydrophobicContact CG2-CE2 4.17Å; V260-F509 HydrophobicContact CG2-CZ 3.61Å; L507-F509 HydrophobicContact CB-CD2 3.73Å; L507-F509 HydrophobicContact CB-CE2 3.38Å; L507-F509 HydrophobicContact CB-CZ 4.38Å; L507-F509 HydrophobicContact CD1-CE2 3.85Å; L507-F509 HydrophobicContact CD1-CZ 4.41Å; L507-F509 HydrophobicContact CG-CE2 4.27Å; L507-F509 PolarHBondContact O-N 3.34Å
510R64.4Low84.2Confident225 Ų22594.8 Ų94.885%0.84944%0.439SS*.  trans-95.3-19-179.2-64.1-174.2-179.4-171.9-0.4114
511R65.5Low83.9Confident135 Ų13594.6 Ų94.651%0.50945%0.445SS..  trans-85.9131.2-170.5-64.9177.9179.4151.33.7110.5Y231 D259Y231-R511 PolarHBondContact O-NH1 2.93Å; D259-R511 IonicContact OD1-NH1 3.84Å
512R67.7Low83.7Confident240 Ų24092.2 Ų92.291%0.90644%0.436SS*.  trans-118.627.4180-64-174.1179.31790.4112.1
513W73.7Confident83.5Confident196 Ų19691.4 Ų91.474%0.74243%0.434SS*.  trans-101.6137.7-177.4-57.4101.1000109.2Y231Y231-W513 WeakPolarHBondContact CD2-O 3.25Å; Y231-W513 HydrophobicContact CE1-CB 4.41Å; Y231-W513 HydrophobicContact CE2-CB 4.33Å; Y231-W513 WeakPolarHBondContact CE2-O 3.45Å
514E72.9Confident83.2Confident100 Ų10098.5 Ų98.547%0.46746%0.46SS..  trans-118.3142.8171-71.4-160.5148.900110.3K20 I516 H551K20-E514 VanDerWaalsContact CE-OE1 3.3Å; K20-E514 WeakPolarHBondContact CE-OE1 3.46Å; K20-E514 IonicContact NZ-OE1 3.34Å; K20-E514 PolarHBondContact NZ-OE1 3.48Å; E514-I516 PolarHBondContact O-N 3.14Å; E514-H551 IonicContact OE2-CD2 2.64Å; E514-H551 IonicContact OE2-CE1 2.7Å; E514-H551 IonicContact OE2-NE2 3.79Å; E514-H551 PolarHBondContact OE2-NE2 3.23Å
515R79.9Confident82.6Confident141 Ų14198.9 Ų98.953%0.53247%0.466SS..  trans-81.5121.6176.9-174.4-179.5-177.91773.9108.3H230 Y231H230-R515 VanDerWaalsContact CD2-CD 3.46Å; H230-R515 WeakPolarHBondContact CD2-CD 3.46Å; Y231-R515 HydrophobicContact CE2-CB 4.2Å
516I85.8Confident82.1Confident81 Ų8199.1 Ų99.142%0.41547%0.467SS..EExtended strand (participates in β ladder)trans-115.2131.8175.3-56.4177.1000108.2E514 L544 H551 L553E514-I516 PolarHBondContact O-N 3.14Å; I516-L544 HydrophobicContact CG2-CD1 4.23Å; I516-H551 HydrophobicContact CB-CB 4.4Å; I516-H551 HydrophobicContact CG1-CB 3.99Å; I516-H551 HydrophobicContact CG2-CB 4.26Å; I516-L553 HydrophobicContact CG2-CD1 3.83Å; I516-L553 HydrophobicContact CG2-CD2 4.5Å; I516-L553 HydrophobicContact CG2-CG 3.61Å
517Q87.1Confident81.7Confident111 Ų111102.2 Ų102.252%0.51948%0.476SS..EExtended strand (participates in β ladder)trans-91.6125.5175.3-70.2-175-9.100110.2H551 T552 L553Q517-H551 PolarHBondContact N-O 3.26Å; Q517-T552 HydrophobicContact CB-CG2 4.37Å; Q517-T552 CarbonylContact O-C 3.58Å; Q517-T552 VanDerWaalsContact O-CA 3.29Å; Q517-T552 WeakPolarHBondContact O-CA 3.33Å; Q517-L553 PolarHBondContact O-N 3.2Å
518L90.3Very high81.4Confident68 Ų68105.5 Ų105.536%0.35650%0.498SS..EExtended strand (participates in β ladder)trans-85.1123173.3-166.276000108.9L522 A523 L526 V540 L553L518-L522 HydrophobicContact CD1-CB 4.43Å; L518-L522 HydrophobicContact CD1-CD2 3.36Å; L518-L522 HydrophobicContact CD1-CG 3.8Å; L518-L522 HydrophobicContact CG-CD2 4.26Å; L518-L522 HydrophobicContact CG-CG 4.37Å; L518-A523 HydrophobicContact CD2-CB 3.62Å; L518-A523 HydrophobicContact CG-CB 4.21Å; L518-L526 HydrophobicContact CD2-CD1 3.71Å; L518-V540 HydrophobicContact CD1-CG1 4.25Å; L518-L553 HydrophobicContact CD1-CB 3.97Å; L518-L553 HydrophobicContact CD1-CD1 3.96Å
519L89.9Confident81.2Confident55 Ų55105.9 Ų105.929%0.28850%0.501SS..PPolyproline II helixtrans-65.1145.2176.4-75.1-175.8000111.2E521 L522 A523 L553 Q554L519-E521 PolarHBondContact O-N 3.24Å; L519-E521 VanDerWaalsContact O-N 3.13Å; L519-L522 PolarHBondContact O-N 3.21Å; L519-L522 VanDerWaalsContact O-N 3.1Å; L519-A523 PolarHBondContact O-N 3.11Å; L519-L553 WeakPolarHBondContact CB-O 3.47Å; L519-L553 WeakPolarHBondContact CG-O 3.34Å; L519-L553 PolarHBondContact N-O 3.32Å; L519-Q554 HydrophobicContact CD1-CB 4.18Å; L519-Q554 HydrophobicContact CD1-CG 3.64Å; L519-Q554 HydrophobicContact CG-CG 4.47Å
520P89.1Confident81.1Confident87 Ų87109.6 Ų109.657%0.56552%0.519SS*.Hα-helixtrans-56.1-33.3-178.1-27.134.7000114.3A523 K524P520-A523 PolarHBondContact O-N 2.88Å; P520-K524 VanDerWaalsContact O-CG 3.32Å; P520-K524 WeakPolarHBondContact O-CG 3.39Å; P520-K524 PolarHBondContact O-N 2.94Å; P520-K524 VanDerWaalsContact O-N 3.07Å
521E86.4Confident81.7Confident144 Ų144102.5 Ų102.567%0.67350%0.497SS*.Hα-helixtrans-66-44.5178.5-62.8179.3176.200112.1L519 K524 S525 P555L519-E521 PolarHBondContact O-N 3.24Å; L519-E521 VanDerWaalsContact O-N 3.13Å; E521-K524 PolarHBondContact O-N 2.89Å; E521-S525 PolarHBondContact O-N 2.9Å; E521-P555 HydrophobicContact CB-CG 4.22Å
522L86.3Confident82.2Confident4 Ų4102.6 Ų102.62%0.02150%0.501CS..Hα-helixtrans-67.8-42.4175.9179.862.6000110.5L518 L519 K524 S525 L526 V540 A542 L553 P555L518-L522 HydrophobicContact CD1-CB 4.43Å; L518-L522 HydrophobicContact CD1-CD2 3.36Å; L518-L522 HydrophobicContact CD1-CG 3.8Å; L518-L522 HydrophobicContact CG-CD2 4.26Å; L518-L522 HydrophobicContact CG-CG 4.37Å; L519-L522 PolarHBondContact O-N 3.21Å; L519-L522 VanDerWaalsContact O-N 3.1Å; L522-K524 VanDerWaalsContact C-N 3.28Å; L522-K524 PolarHBondContact O-N 2.87Å; L522-S525 WeakPolarHBondContact O-CB 3.23Å; L522-S525 PolarHBondContact O-N 3.35Å; L522-S525 PolarHBondContact O-OG 3.39Å; L522-L526 PolarHBondContact O-N 2.89Å; L522-V540 HydrophobicContact CD2-CG1 4.25Å; L522-A542 HydrophobicContact CD1-CB 4.18Å; L522-A542 HydrophobicContact CD2-CB 3.37Å; L522-A542 HydrophobicContact CG-CB 4.43Å; L522-L553 HydrophobicContact CD2-CB 3.63Å; L522-P555 HydrophobicContact CB-CG 4.17Å
523A86.4Confident82.6Confident44 Ų4497.2 Ų97.236%0.36450%0.498SS..Hα-helixtrans-56.7-41177.300000112.4L518 L519 P520 S525 L526L518-A523 HydrophobicContact CD2-CB 3.62Å; L518-A523 HydrophobicContact CG-CB 4.21Å; L519-A523 PolarHBondContact O-N 3.11Å; P520-A523 PolarHBondContact O-N 2.88Å; A523-S525 PolarHBondContact O-N 3.46Å; A523-L526 PolarHBondContact O-N 3.32Å
524K86.4Confident83Confident184 Ų18491.3 Ų91.380%0.850%0.498SS*.Hα-helixtrans-66.1-23.6176.1-74.3174.2-177.1-179.30114P520 E521 L522P520-K524 VanDerWaalsContact O-CG 3.32Å; P520-K524 WeakPolarHBondContact O-CG 3.39Å; P520-K524 PolarHBondContact O-N 2.94Å; P520-K524 VanDerWaalsContact O-N 3.07Å; E521-K524 PolarHBondContact O-N 2.89Å; L522-K524 VanDerWaalsContact C-N 3.28Å; L522-K524 PolarHBondContact O-N 2.87Å
525S82.3Confident83.3Confident77 Ų7791.3 Ų91.354%0.53850%0.5SS..Hα-helixtrans-84-14.6179.7750000113.6E521 L522 A523E521-S525 PolarHBondContact O-N 2.9Å; L522-S525 WeakPolarHBondContact O-CB 3.23Å; L522-S525 PolarHBondContact O-N 3.35Å; L522-S525 PolarHBondContact O-OG 3.39Å; A523-S525 PolarHBondContact O-N 3.46Å
526L83.7Confident83.3Confident39 Ų3987.9 Ų87.920%0.20450%0.498CS..  trans-75134.1179.6-59.5-178.2000110L518 L522 A523 P528 A538 V540L518-L526 HydrophobicContact CD2-CD1 3.71Å; L522-L526 PolarHBondContact O-N 2.89Å; A523-L526 PolarHBondContact O-N 3.32Å; L526-P528 WeakPolarHBondContact O-CD 3.32Å; L526-A538 HydrophobicContact CB-CB 4.07Å; L526-V540 HydrophobicContact CD1-CG2 3.8Å; L526-V540 HydrophobicContact CD2-CB 4.24Å; L526-V540 HydrophobicContact CD2-CG1 4.32Å; L526-V540 HydrophobicContact CD2-CG2 3.75Å; L526-V540 HydrophobicContact CG-CG2 4.45Å
527V83.6Confident83.1Confident115 Ų11586.9 Ų86.970%0.69750%0.495SS*.  trans-11794175.6-174.80000107.6
528P84.3Confident82.8Confident80 Ų8082.9 Ų82.952%0.51948%0.481SS..PPolyproline II helixtrans-69.7132.6179.4-16.130.7000111.4L526 V537 A538L526-P528 WeakPolarHBondContact O-CD 3.32Å; P528-V537 CarbonylContact C-O 3.59Å; P528-V537 WeakPolarHBondContact CA-O 3.33Å; P528-A538 HydrophobicContact CB-CB 4.31Å; P528-A538 HydrophobicContact CG-CB 4.29Å
529S77.9Confident82.2Confident52 Ų5283 Ų8336%0.36449%0.485SS..EExtended strand (participates in β ladder)trans-103128.7171.1-62.30000109.5I531 S536 V537S529-I531 PolarHBondContact O-N 2.82Å; S529-S536 CarbonylContact O-C 3.58Å; S529-S536 VanDerWaalsContact O-CA 3.28Å; S529-S536 WeakPolarHBondContact O-CA 3.46Å; S529-V537 PolarHBondContact N-O 2.88Å; S529-V537 PolarHBondContact O-N 3.43Å
530E79.6Confident81.7Confident124 Ų12483.7 Ų83.758%0.57949%0.491SS*.EExtended strand (participates in β ladder)trans-74.2121.9179.1-168.2171.5-164.400110.6K532 P533 G534E530-K532 VanDerWaalsContact CG-O 3.26Å; E530-K532 WeakPolarHBondContact CG-O 3.4Å; E530-P533 VanDerWaalsContact OE1-CA 3.32Å; E530-P533 WeakPolarHBondContact OE1-CA 3.49Å; E530-G534 PolarHBondContact OE1-N 2.67Å
531I77.4Confident81.3Confident75 Ų7583.2 Ų83.239%0.38549%0.49SS..EExtended strand (participates in β ladder)trans-101.7-33179.2-54.5-174.5000110.4S529 I535 V537 L658S529-I531 PolarHBondContact O-N 2.82Å; I531-I535 PolarHBondContact N-O 3.47Å; I531-V537 HydrophobicContact CD1-CB 3.72Å; I531-V537 HydrophobicContact CD1-CG1 4.48Å; I531-V537 HydrophobicContact CD1-CG2 3.47Å; I531-V537 VanDerWaalsContact CD1-CG2 3.47Å; I531-V537 HydrophobicContact CG1-CB 4.35Å; I531-V537 HydrophobicContact CG1-CG2 4.15Å; I531-L658 HydrophobicContact CD1-CD2 3.9Å
532K74.9Confident81.2Confident137 Ų13777.9 Ų77.960%0.59647%0.471SS*.EExtended strand (participates in β ladder)trans-141.8156.1175.1-65.5-176.8-178.61780108.8E530 G534 I535E530-K532 VanDerWaalsContact CG-O 3.26Å; E530-K532 WeakPolarHBondContact CG-O 3.4Å; K532-G534 PolarHBondContact O-N 3.09Å; K532-I535 HydrophobicContact CB-CB 4.33Å; K532-I535 PolarHBondContact N-O 3.06Å; K532-I535 PolarHBondContact O-N 3.49Å
533P75.9Confident81.1Confident127 Ų12780.8 Ų80.883%0.82549%0.488SS*.THydrogen-bonded Turntrans-48.9113.7175.4-28.435.7000111.6E530E530-P533 VanDerWaalsContact OE1-CA 3.32Å; E530-P533 WeakPolarHBondContact OE1-CA 3.49Å
534G82.5Confident81.2Confident73 Ų7383 Ų8375%0.75349%0.493SS*.THydrogen-bonded Turntrans81.94.6179.600000116.3E530 K532E530-G534 PolarHBondContact OE1-N 2.67Å; K532-G534 PolarHBondContact O-N 3.09Å
535I79.9Confident81.1Confident99 Ų9978.8 Ų78.851%0.50848%0.477SS..EExtended strand (participates in β ladder)trans-124109.4174.6-55.4176.7000109.4I531 K532I531-I535 PolarHBondContact N-O 3.47Å; K532-I535 HydrophobicContact CB-CB 4.33Å; K532-I535 PolarHBondContact N-O 3.06Å; K532-I535 PolarHBondContact O-N 3.49Å
536S80.3Confident81.1Confident69 Ų6978.5 Ų78.548%0.48348%0.475SS..EExtended strand (participates in β ladder)trans-111.2144.2173.8-47.70000111.2S529S529-S536 CarbonylContact O-C 3.58Å; S529-S536 VanDerWaalsContact O-CA 3.28Å; S529-S536 WeakPolarHBondContact O-CA 3.46Å
537V81Confident80.8Confident60 Ų6083.6 Ų83.636%0.36450%0.495SS..EExtended strand (participates in β ladder)trans-124137.3-179.5179.50000109P528 S529 I531P528-V537 CarbonylContact C-O 3.59Å; P528-V537 WeakPolarHBondContact CA-O 3.33Å; S529-V537 PolarHBondContact N-O 2.88Å; S529-V537 PolarHBondContact O-N 3.43Å; I531-V537 HydrophobicContact CD1-CB 3.72Å; I531-V537 HydrophobicContact CD1-CG1 4.48Å; I531-V537 HydrophobicContact CD1-CG2 3.47Å; I531-V537 VanDerWaalsContact CD1-CG2 3.47Å; I531-V537 HydrophobicContact CG1-CB 4.35Å; I531-V537 HydrophobicContact CG1-CG2 4.15Å
538A80.8Confident80.3Confident28 Ų2883 Ų8323%0.23149%0.488CS..  trans-128.8140172.500000109.3L526 P528L526-A538 HydrophobicContact CB-CB 4.07Å; P528-A538 HydrophobicContact CB-CB 4.31Å; P528-A538 HydrophobicContact CG-CB 4.29Å
539T78.1Confident79.8Confident69 Ų6980.8 Ų80.842%0.42347%0.472SS..  trans-73.512817057.40000110.1L584 L658T539-L584 HydrophobicContact CG2-CD1 4.19Å; T539-L658 HydrophobicContact CG2-CB 4.46Å
540V79.7Confident79.9Confident70 Ų7084.5 Ų84.542%0.42448%0.481SS..  trans-107.6114176.5-1740000109L518 L522 L526 A542 L553L518-V540 HydrophobicContact CD1-CG1 4.25Å; L522-V540 HydrophobicContact CD2-CG1 4.25Å; L526-V540 HydrophobicContact CD1-CG2 3.8Å; L526-V540 HydrophobicContact CD2-CB 4.24Å; L526-V540 HydrophobicContact CD2-CG1 4.32Å; L526-V540 HydrophobicContact CD2-CG2 3.75Å; L526-V540 HydrophobicContact CG-CG2 4.45Å; V540-A542 HydrophobicContact CG1-CB 4.18Å; V540-L553 HydrophobicContact CG1-CD1 4.5Å
541S80.8Confident80.1Confident78 Ų7879.8 Ų79.855%0.54546%0.46SS..  trans-110.5115.5168.9-68.80000109.2
542A83.3Confident80.7Confident32 Ų3277.5 Ų77.526%0.26445%0.449SS..  trans-155.6159.7-169.400000112.2L522 V540 L553 Q554L522-A542 HydrophobicContact CD1-CB 4.18Å; L522-A542 HydrophobicContact CD2-CB 3.37Å; L522-A542 HydrophobicContact CG-CB 4.43Å; V540-A542 HydrophobicContact CG1-CB 4.18Å; A542-L553 HydrophobicContact CB-CB 4.06Å; A542-L553 HydrophobicContact CB-CD2 3.98Å; A542-L553 HydrophobicContact CB-CG 4.48Å; A542-Q554 CarbonylContact C-O 3.38Å; A542-Q554 VanDerWaalsContact CA-O 3.27Å; A542-Q554 WeakPolarHBondContact CA-O 3.49Å; A542-Q554 VanDerWaalsContact CB-O 3.26Å; A542-Q554 WeakPolarHBondContact CB-O 3.4Å
543V84.9Confident81.3Confident64 Ų6472.9 Ų72.939%0.38843%0.43SS..EExtended strand (participates in β ladder)trans-90.9125.5169.4177.70000108.7Q545 Q554V543-Q545 PolarHBondContact O-N 3.29Å; V543-Q554 PolarHBondContact N-O 3.17Å; V543-Q554 PolarHBondContact O-N 3.32Å
544L87.3Confident81.8Confident90 Ų9069.7 Ų69.747%0.47141%0.405SS..EExtended strand (participates in β ladder)trans-82.4112.9172.3179.264.5000109.6I516 H551 L553I516-L544 HydrophobicContact CG2-CD1 4.23Å; L544-H551 HydrophobicContact CD1-CB 4.11Å; L544-L553 HydrophobicContact CB-CD2 4.09Å; L544-L553 HydrophobicContact CD1-CD2 4.02Å
545Q85.3Confident81.9Confident97 Ų9768.6 Ų68.645%0.45339%0.385SS..EExtended strand (participates in β ladder)trans-98.9119.4167.9-170.6178.436.500109.6V543 T552V543-Q545 PolarHBondContact O-N 3.29Å; Q545-T552 PolarHBondContact N-O 2.84Å; Q545-T552 PolarHBondContact O-N 3.38Å; Q545-T552 PolarHBondContact O-OG1 3.27Å
546S81.4Confident81.9Confident70 Ų7068.2 Ų68.249%0.4939%0.386SS..EExtended strand (participates in β ladder)trans-112.6119.1176.8-61.60000109.3K550 H551S546-K550 WeakPolarHBondContact CA-O 3.22Å; S546-H551 PolarHBondContact OG-ND1 3.24Å
547K78.9Confident81.6Confident146 Ų14669.7 Ų69.764%0.63540%0.395SS*.EExtended strand (participates in β ladder)trans-141.7132174-175.8-179.9175.8-177.50109.4N549 K550K547-N549 VanDerWaalsContact C-N 3.29Å; K547-N549 PolarHBondContact O-N 3Å; K547-K550 PolarHBondContact N-O 3.11Å; K547-K550 WeakPolarHBondContact O-CB 3.48Å; K547-K550 PolarHBondContact O-N 3.44Å
548D73.1Confident80.9Confident103 Ų10376.2 Ų76.255%0.55142%0.418SS*.THydrogen-bonded Turntrans48.948.7177.8-50.7-33.9000112.6F206 K550F206-D548 CarbonylContact O-C 3.56Å; D548-K550 PolarHBondContact O-N 3.4Å
549N73.3Confident79.9Confident34 Ų3480.3 Ų80.318%0.18244%0.442CS..THydrogen-bonded Turntrans56.813.8-176.9-61.1-71.7000115.9S21 A208 K547S21-N549 PolarHBondContact OG-ND2 3.44Å; S21-N549 VanDerWaalsContact OG-ND2 3.09Å; A208-N549 HydrophobicContact CB-CB 4.09Å; K547-N549 VanDerWaalsContact C-N 3.29Å; K547-N549 PolarHBondContact O-N 3Å
550K79Confident79Confident129 Ų12982.5 Ų82.556%0.56146%0.458SS*.EExtended strand (participates in β ladder)trans-100.9125.8170.4-64.9177.7-178.9176.30109.4S546 K547 D548S546-K550 WeakPolarHBondContact CA-O 3.22Å; K547-K550 PolarHBondContact N-O 3.11Å; K547-K550 WeakPolarHBondContact O-CB 3.48Å; K547-K550 PolarHBondContact O-N 3.44Å; D548-K550 PolarHBondContact O-N 3.4Å
551H85.2Confident78Confident26 Ų2685.1 Ų85.112%0.1248%0.476CS..EExtended strand (participates in β ladder)trans-110.3120.1-175.2-58-68.7000109.7E514 I516 Q517 L544 S546E514-H551 IonicContact OE2-CD2 2.64Å; E514-H551 IonicContact OE2-CE1 2.7Å; E514-H551 IonicContact OE2-NE2 3.79Å; E514-H551 PolarHBondContact OE2-NE2 3.23Å; I516-H551 HydrophobicContact CB-CB 4.4Å; I516-H551 HydrophobicContact CG1-CB 3.99Å; I516-H551 HydrophobicContact CG2-CB 4.26Å; Q517-H551 PolarHBondContact N-O 3.26Å; L544-H551 HydrophobicContact CD1-CB 4.11Å; S546-H551 PolarHBondContact OG-ND1 3.24Å
552T88.2Confident76.8Confident27 Ų2789.1 Ų89.117%0.16649%0.491CS..EExtended strand (participates in β ladder)trans-124.8135.817960.40000111Q517 Q545Q517-T552 HydrophobicContact CB-CG2 4.37Å; Q517-T552 CarbonylContact O-C 3.58Å; Q517-T552 VanDerWaalsContact O-CA 3.29Å; Q517-T552 WeakPolarHBondContact O-CA 3.33Å; Q545-T552 PolarHBondContact N-O 2.84Å; Q545-T552 PolarHBondContact O-N 3.38Å; Q545-T552 PolarHBondContact O-OG1 3.27Å
553L89.4Confident75.6Confident39 Ų3992.7 Ų92.720%0.20451%0.511CS..EExtended strand (participates in β ladder)trans-96.4125.9172.7-72170.6000110I516 Q517 L518 L519 L522 V540 A542 L544I516-L553 HydrophobicContact CG2-CD1 3.83Å; I516-L553 HydrophobicContact CG2-CD2 4.5Å; I516-L553 HydrophobicContact CG2-CG 3.61Å; Q517-L553 PolarHBondContact O-N 3.2Å; L518-L553 HydrophobicContact CD1-CB 3.97Å; L518-L553 HydrophobicContact CD1-CD1 3.96Å; L519-L553 WeakPolarHBondContact CB-O 3.47Å; L519-L553 WeakPolarHBondContact CG-O 3.34Å; L519-L553 PolarHBondContact N-O 3.32Å; L522-L553 HydrophobicContact CD2-CB 3.63Å; V540-L553 HydrophobicContact CG1-CD1 4.5Å; A542-L553 HydrophobicContact CB-CB 4.06Å; A542-L553 HydrophobicContact CB-CD2 3.98Å; A542-L553 HydrophobicContact CB-CG 4.48Å; L544-L553 HydrophobicContact CB-CD2 4.09Å; L544-L553 HydrophobicContact CD1-CD2 4.02Å
554Q85.8Confident73.9Confident60 Ų6095.9 Ų95.928%0.2853%0.533SS..EExtended strand (participates in β ladder)trans-117.4152.8-177.4-48.5-164.2-19.100111.3L519 A542 V543L519-Q554 HydrophobicContact CD1-CB 4.18Å; L519-Q554 HydrophobicContact CD1-CG 3.64Å; L519-Q554 HydrophobicContact CG-CG 4.47Å; A542-Q554 CarbonylContact C-O 3.38Å; A542-Q554 VanDerWaalsContact CA-O 3.27Å; A542-Q554 WeakPolarHBondContact CA-O 3.49Å; A542-Q554 VanDerWaalsContact CB-O 3.26Å; A542-Q554 WeakPolarHBondContact CB-O 3.4Å; V543-Q554 PolarHBondContact N-O 3.17Å; V543-Q554 PolarHBondContact O-N 3.32Å
555P83.3Confident71.8Confident51 Ų5197.2 Ų97.233%0.33155%0.55SS..PPolyproline II helixtrans-56.3146.2171-21.533000111.6E521 L522 P557E521-P555 HydrophobicContact CB-CG 4.22Å; L522-P555 HydrophobicContact CB-CG 4.17Å; P555-P557 WeakPolarHBondContact O-CD 3.4Å
556V80.3Confident70.1Confident90 Ų90102.6 Ų102.655%0.54557%0.572SS.*PPolyproline II helixtrans-63.1126175.2-177.10000109.2K558V556-K558 PolarHBondContact O-N 3.4Å
557P74.5Confident68.6Low101 Ų101108.7 Ų108.766%0.65659%0.589SS**PPolyproline II helixtrans-56.9131.1179.9-23.731.5000111.2P555P555-P557 WeakPolarHBondContact O-CD 3.4Å
558K66.2Low66.7Low196 Ų196113.6 Ų113.685%0.85260%0.604SS**PPolyproline II helixtrans-68135.4170.7-69.2-178.1-179.2178.10108.6V556V556-K558 PolarHBondContact O-N 3.4Å
559P60.4Low65.1Low115 Ų115118.3 Ų118.375%0.74762%0.62SS**PPolyproline II helixtrans-58.2144.8176.522.3-30.8000110.4
560P58.6Low63.8Low115 Ų115128 Ų12875%0.74765%0.654SS**PPolyproline II helixtrans-60.7141.618024-31.9000110.3L562P560-L562 PolarHBondContact O-N 2.67Å
561P58.9Low61.8Low124 Ų124128 Ų12881%0.80566%0.664SS**PPolyproline II helixtrans-60.8128.4175.922.8-29.9000109.7
562L56.6Low59.7Low163 Ų163132.8 Ų132.885%0.85370%0.695SS**PPolyproline II helixtrans-55.8134.5175.8-76.1160000109.9P560P560-L562 PolarHBondContact O-N 2.67Å
563P58Low57.3Low107 Ų107139.8 Ų139.870%0.69573%0.726SS**PPolyproline II helixtrans-62.6146.117625-31.7000110.3S565P563-S565 PolarHBondContact O-N 3.37Å
564P47.6Very low54.7Low131 Ų131146 Ų14685%0.85175%0.754SS**  trans-65.3107-177.725.1-32.2000110.2
565S44.7Very low52.4Low117 Ų117148.2 Ų148.282%0.81877%0.773SS**  trans-76124.3176.6620000110.4P563 K567P563-S565 PolarHBondContact O-N 3.37Å; S565-K567 PolarHBondContact O-N 3.35Å
566K48Very low50.3Low210 Ų210151.6 Ų151.691%0.91380%0.795SS**  trans-72.7114171.6-74.1-179.1178.6175.50109.1
567K49.9Very low48.3Very low199 Ų199155.5 Ų155.587%0.86581%0.807SS**  trans14110.2158.9-68.2-178.5176.3178.60116.8S565S565-K567 PolarHBondContact O-N 3.35Å
568R40.2Very low46.8Very low248 Ų248157.3 Ų157.394%0.93682%0.816SS**  trans-167.6127.5131.1-110168.1-178.7-174.30.1113.4
569K40Very low45.7Very low203 Ų203154 Ų15488%0.88381%0.807SS**  trans40.5109.1157.3-77.2-177.1172.6-177.70120.1V571K569-V571 PolarHBondContact O-N 2.89Å
570R44.7Very low45.1Very low238 Ų238152.1 Ų152.190%0.89880%0.801SS**  trans-15.3108.6153.2-76.6175.6171.1171.1-4.1115.4
571V36.9Very low44.8Very low129 Ų129152 Ų15278%0.78280%0.8SS**  -120.3123.5129.11770000104.2K569 E573K569-V571 PolarHBondContact O-N 2.89Å; V571-E573 VanDerWaalsContact C-N 3.28Å; V571-E573 PolarHBondContact O-N 2.8Å; V571-E573 VanDerWaalsContact O-N 3.08Å
572V40.8Very low44.8Very low126 Ų126154.3 Ų154.376%0.76480%0.798SS**  trans-78.188.4173.7177.20000105.6
573E37.8Very low45Very low174 Ų174149.5 Ų149.581%0.81378%0.776SS**PPolyproline II helixtrans-81.9117.5152.2-84.7-176.715400105.8V571V571-E573 VanDerWaalsContact C-N 3.28Å; V571-E573 PolarHBondContact O-N 2.8Å; V571-E573 VanDerWaalsContact O-N 3.08Å
574E35.2Very low45.3Very low170 Ų170149.9 Ų149.979%0.79477%0.772SS**PPolyproline II helixtrans-54.5135.9168.4-72.1-178.4152.500108.4
575P37.7Very low46.6Very low105 Ų105147.3 Ų147.368%0.68275%0.751SS**PPolyproline II helixtrans-55.8144.417525.2-32.1000108.5E577P575-E577 PolarHBondContact O-N 2.66Å
576P39Very low47.8Very low122 Ų122144 Ų14479%0.79273%0.727SS**  trans-56.8114.8171.823.4-29.9000106.8V578P576-V578 PolarHBondContact O-N 3.27Å
577E38Very low49.2Very low172 Ų172136.1 Ų136.180%0.80471%0.706SS**  trans-54.5109.1172.8-84-171.2148.900106.7P575 L579P575-E577 PolarHBondContact O-N 2.66Å; E577-L579 PolarHBondContact O-N 3.05Å
578V42.9Very low50.6Low139 Ų139130.7 Ų130.784%0.84270%0.698SS**  trans-64.792.1159.3179.60000103.9P576 A580P576-V578 PolarHBondContact O-N 3.27Å; V578-A580 PolarHBondContact O-N 2.9Å
579L43Very low52.7Low127 Ų127119.7 Ų119.767%0.66566%0.659SS**  trans-50.6106.4171.9-83.3156.8000106.1E577E577-L579 PolarHBondContact O-N 3.05Å
580A49.1Very low54.9Low76 Ų76113.1 Ų113.163%0.62864%0.637SS**PPolyproline II helixtrans-50.3132.7168.500000106.5V578 K582V578-A580 PolarHBondContact O-N 2.9Å; A580-K582 PolarHBondContact O-N 3.39Å
581P52Low56.9Low111 Ų111103.5 Ų103.572%0.72160%0.603SS**PPolyproline II helixtrans-52.5118.7-179.719.5-29.7000107.6
582K59.4Low59.3Low174 Ų174105.2 Ų105.276%0.75760%0.602SS**PPolyproline II helixtrans-59.4130179.3-71-179.9-179.8176.20106.7A580 L584A580-K582 PolarHBondContact O-N 3.39Å; K582-L584 PolarHBondContact O-N 3.45Å
583P60.9Low61.5Low62 Ų62101.2 Ų101.240%0.40358%0.583SS.*PPolyproline II helixtrans-57.2133.6-18023.2-32.1000108.8K657 L658P583-K657 HydrophobicContact CB-CB 3.94Å; P583-K657 HydrophobicContact CB-CG 4.28Å; P583-K657 HydrophobicContact CG-CB 4.24Å; P583-K657 HydrophobicContact CG-CD 3.97Å; P583-K657 HydrophobicContact CG-CG 4.06Å; P583-L658 WeakPolarHBondContact CB-O 3.41Å
584L64.5Low63.9Low115 Ų11593 Ų9360%0.60254%0.544SS*.PPolyproline II helixtrans-66.4137.9174.3-78.8159.5000107.5T539 K582 L658T539-L584 HydrophobicContact CG2-CD1 4.19Å; K582-L584 PolarHBondContact O-N 3.45Å; L584-L658 HydrophobicContact CB-CB 4.26Å; L584-L658 HydrophobicContact CB-CD1 4.38Å; L584-L658 WeakPolarHBondContact O-CB 3.36Å; L584-L658 PolarHBondContact O-N 3.13Å
585L74.1Confident66.4Low77 Ų7787.1 Ų87.140%0.40352%0.518SS..EExtended strand (participates in β ladder)trans-98.5133-178.5-65.4161.8000108.3L652 L655 M656 K657L585-L652 HydrophobicContact CD1-CD2 3.2Å; L585-L652 HydrophobicContact CD2-CD2 3.96Å; L585-L652 HydrophobicContact CG-CD2 4.21Å; L585-L655 HydrophobicContact CB-CB 4.06Å; L585-L655 HydrophobicContact CB-CD1 3.94Å; L585-L655 HydrophobicContact CD1-CD1 4.24Å; L585-L655 HydrophobicContact CD2-CB 4.16Å; L585-M656 CarbonylContact C-O 3.51Å; L585-M656 WeakPolarHBondContact CA-O 3.42Å; L585-K657 HydrophobicContact CD2-CG 3.78Å
586S70.6Confident68.8Low46 Ų4685.1 Ų85.132%0.32251%0.51SS..EExtended strand (participates in β ladder)trans-136.8130.6179.3173.20000110.5M656 L658S586-M656 PolarHBondContact N-O 2.93Å; S586-M656 WeakPolarHBondContact O-CB 3.31Å; S586-M656 PolarHBondContact O-N 3.41Å; S586-L658 VanDerWaalsContact CB-CD1 3.46Å
587G75.6Confident71Confident46 Ų4681 Ų8147%0.47448%0.481SS..  trans155156.3-179.700000110.2L655G587-L655 WeakPolarHBondContact O-CD2 3.22Å
588A79.6Confident73.4Confident85 Ų8572.9 Ų72.970%0.70244%0.443SS*.  trans-92.9147168.500000108.9P590A588-P590 WeakPolarHBondContact O-CD 3.5Å
589V85.4Confident75.4Confident17 Ų1772.1 Ų72.110%0.10343%0.43CS..  trans-93100.9172.4-177.30000107.9L591 F594 L628 V651 F654 L655V589-L591 PolarHBondContact O-N 3.3Å; V589-F594 HydrophobicContact CG1-CB 3.78Å; V589-F594 HydrophobicContact CG1-CD1 4.28Å; V589-F594 HydrophobicContact CG1-CD2 3.62Å; V589-F594 HydrophobicContact CG1-CE2 4.28Å; V589-F594 HydrophobicContact CG1-CG 3.64Å; V589-L628 HydrophobicContact CB-CD2 4.13Å; V589-L628 HydrophobicContact CG1-CD1 4.34Å; V589-L628 HydrophobicContact CG1-CD2 4.29Å; V589-V651 HydrophobicContact CG2-CG1 4.07Å; V589-F654 HydrophobicContact CG1-CB 4.42Å; V589-F654 HydrophobicContact CG1-CD2 4.14Å; V589-F654 HydrophobicContact CG1-CG 4.25Å; V589-F654 HydrophobicContact CG2-CB 4.17Å; V589-L655 HydrophobicContact CG2-CD2 4.33Å
590P86.1Confident77.4Confident65 Ų6574.1 Ų74.142%0.42243%0.433SS..  trans-66.5124.9-178.924.3-33.3000111.3A588 E592 A593 F594 F654A588-P590 WeakPolarHBondContact O-CD 3.5Å; P590-E592 PolarHBondContact O-N 2.78Å; P590-A593 HydrophobicContact CB-CB 4.46Å; P590-A593 HydrophobicContact CG-CB 4Å; P590-A593 PolarHBondContact O-N 2.93Å; P590-F594 VanDerWaalsContact O-CB 3.31Å; P590-F594 WeakPolarHBondContact O-CB 3.48Å; P590-F594 PolarHBondContact O-N 3.35Å; P590-F654 HydrophobicContact CG-CD1 3.93Å; P590-F654 HydrophobicContact CG-CE1 4.12Å
591L86.6Confident79Confident35 Ų3574.9 Ų74.918%0.18342%0.424CS..Hα-helixtrans-51.8-55.3-174.6179.168.7000112.9V589 A593 F594 L595 V608 H615 L617 L628V589-L591 PolarHBondContact O-N 3.3Å; L591-A593 PolarHBondContact O-N 3.29Å; L591-F594 PolarHBondContact O-N 3.38Å; L591-L595 HydrophobicContact CD1-CD1 4.01Å; L591-L595 HydrophobicContact CD1-CG 4.24Å; L591-L595 HydrophobicContact CG-CD1 3.92Å; L591-L595 HydrophobicContact CG-CG 4.5Å; L591-L595 WeakPolarHBondContact O-CG 3.31Å; L591-L595 PolarHBondContact O-N 3.28Å; L591-V608 HydrophobicContact CD1-CG1 4.21Å; L591-V608 HydrophobicContact CD2-CG1 4.22Å; L591-H615 HydrophobicContact CD1-CB 4.1Å; L591-H615 HydrophobicContact CD2-CB 4.44Å; L591-L617 HydrophobicContact CD1-CD1 3.88Å; L591-L617 HydrophobicContact CD1-CD2 4.14Å; L591-L617 HydrophobicContact CD1-CG 4.18Å; L591-L628 HydrophobicContact CD1-CD1 4.33Å
592E86.9Confident80.4Confident165 Ų16572.3 Ų72.377%0.77142%0.417SS*.Hα-helixtrans-62.5-42-174.7-65.7-171.6169.500112.7P590 A596P590-E592 PolarHBondContact O-N 2.78Å; E592-A596 WeakPolarHBondContact O-CB 3.32Å; E592-A596 PolarHBondContact O-N 3.37Å
593A86.5Confident81.4Confident43 Ų4364.8 Ų64.836%0.35539%0.385SS..Hα-helixtrans-73.3-31.3179.300000111.9P590 L591 M597 F654P590-A593 HydrophobicContact CB-CB 4.46Å; P590-A593 HydrophobicContact CG-CB 4Å; P590-A593 PolarHBondContact O-N 2.93Å; L591-A593 PolarHBondContact O-N 3.29Å; A593-M597 PolarHBondContact O-N 2.77Å; A593-M597 VanDerWaalsContact O-N 3.12Å; A593-F654 HydrophobicContact CB-CE1 3.9Å; A593-F654 HydrophobicContact CB-CZ 4.37Å
594F89.6Confident82.1Confident0 Ų066 Ų660%039%0.391CS..Hα-helixtrans-68.4-45.1174.5-170.2-116.7000111.5V589 P590 L591 A596 M597 L598 L617 I626 L628 L650 V651 F654V589-F594 HydrophobicContact CG1-CB 3.78Å; V589-F594 HydrophobicContact CG1-CD1 4.28Å; V589-F594 HydrophobicContact CG1-CD2 3.62Å; V589-F594 HydrophobicContact CG1-CE2 4.28Å; V589-F594 HydrophobicContact CG1-CG 3.64Å; P590-F594 VanDerWaalsContact O-CB 3.31Å; P590-F594 WeakPolarHBondContact O-CB 3.48Å; P590-F594 PolarHBondContact O-N 3.35Å; L591-F594 PolarHBondContact O-N 3.38Å; F594-A596 PolarHBondContact O-N 2.8Å; F594-M597 WeakPolarHBondContact O-CB 3.47Å; F594-M597 PolarHBondContact O-N 3.04Å; F594-M597 VanDerWaalsContact O-N 3.11Å; F594-L598 HydrophobicContact CD1-CD1 3.9Å; F594-L598 HydrophobicContact CD1-CG 4.44Å; F594-L598 HydrophobicContact CE1-CD1 3.71Å; F594-L598 HydrophobicContact CE1-CD2 4.49Å; F594-L598 HydrophobicContact CE1-CG 4.23Å; F594-L598 HydrophobicContact CZ-CD1 4.32Å; F594-L598 HydrophobicContact CZ-CD2 4.31Å; F594-L598 HydrophobicContact CZ-CG 4.39Å; F594-L598 WeakPolarHBondContact O-CG 3.26Å; F594-L598 PolarHBondContact O-N 2.93Å; F594-L617 HydrophobicContact CD1-CD2 4.04Å; F594-L617 HydrophobicContact CE1-CD2 4.32Å; F594-I626 HydrophobicContact CE1-CD1 4Å; F594-I626 HydrophobicContact CE1-CG2 4.41Å; F594-I626 HydrophobicContact CZ-CD1 4.27Å; F594-L628 HydrophobicContact CD1-CD1 4.21Å; F594-L650 HydrophobicContact CE2-CB 4.24Å; F594-V651 HydrophobicContact CE2-CG2 3.65Å; F594-V651 HydrophobicContact CZ-CG2 3.69Å; F594-F654 HydrophobicContact CB-CE2 4.47Å; F594-F654 HydrophobicContact CB-CZ 4.47Å; F594-F654 HydrophobicContact CD2-CD2 4.02Å; F594-F654 AromaticContact CD2-CE2 3.61Å; F594-F654 HydrophobicContact CD2-CE2 3.61Å; F594-F654 HydrophobicContact CD2-CZ 4.38Å; F594-F654 HydrophobicContact CE2-CE2 4.41Å
595L87.8Confident82.8Confident48 Ų4866 Ų6625%0.25139%0.389SS..Hα-helixtrans-58.7-44.4173.7-72.2170.4000112L591 M597 L598 H599 V606 V608 L617L591-L595 HydrophobicContact CD1-CD1 4.01Å; L591-L595 HydrophobicContact CD1-CG 4.24Å; L591-L595 HydrophobicContact CG-CD1 3.92Å; L591-L595 HydrophobicContact CG-CG 4.5Å; L591-L595 WeakPolarHBondContact O-CG 3.31Å; L591-L595 PolarHBondContact O-N 3.28Å; L595-M597 VanDerWaalsContact C-N 3.26Å; L595-M597 PolarHBondContact O-N 3.4Å; L595-L598 PolarHBondContact O-N 2.96Å; L595-H599 PolarHBondContact O-N 2.94Å; L595-V606 HydrophobicContact CD2-CB 4.26Å; L595-V606 HydrophobicContact CD2-CG1 3.82Å; L595-V608 HydrophobicContact CD1-CG2 3.99Å; L595-V608 HydrophobicContact CD2-CG2 3.89Å; L595-L617 HydrophobicContact CD2-CD2 3.58Å; L595-L617 HydrophobicContact CG-CD2 4.25Å
596A86.4Confident83.4Confident62 Ų6264 Ų6451%0.51238%0.379SS..Hα-helixtrans-61-36175.700000112.4E592 F594 K600E592-A596 WeakPolarHBondContact O-CB 3.32Å; E592-A596 PolarHBondContact O-N 3.37Å; F594-A596 PolarHBondContact O-N 2.8Å; A596-K600 WeakPolarHBondContact O-CB 3.49Å; A596-K600 PolarHBondContact O-N 3.04Å; A596-K600 VanDerWaalsContact O-N 3.09Å
597M86.3Confident84.2Confident37 Ų3766.6 Ų66.618%0.18239%0.385CS..Hα-helixtrans-72.4-39.4176.8-87.3-67-61.900113.2A593 F594 L595 K600 H601 L650 F654A593-M597 PolarHBondContact O-N 2.77Å; A593-M597 VanDerWaalsContact O-N 3.12Å; F594-M597 WeakPolarHBondContact O-CB 3.47Å; F594-M597 PolarHBondContact O-N 3.04Å; F594-M597 VanDerWaalsContact O-N 3.11Å; L595-M597 VanDerWaalsContact C-N 3.26Å; L595-M597 PolarHBondContact O-N 3.4Å; M597-K600 PolarHBondContact O-N 2.94Å; M597-H601 WeakPolarHBondContact CE-CE1 3.23Å; M597-H601 PolarHBondContact O-N 2.93Å; M597-H601 VanDerWaalsContact O-N 3.15Å; M597-H601 PolarHBondContact O-ND1 3.43Å; M597-L650 HydrophobicContact CB-CD2 4.48Å; M597-L650 HydrophobicContact CE-CD2 3.32Å; M597-F654 HydrophobicContact CB-CZ 4.41Å; M597-F654 HydrophobicContact CG-CE2 4.42Å; M597-F654 HydrophobicContact CG-CZ 3.98Å
598L87.3Confident84.8Confident1 Ų167.1 Ų67.11%0.00538%0.379CS..Hα-helixtrans-60.2-48.3173.1-71.8171.5000110.6F594 L595 K600 H601 G602 I603 V606 L617 L647 L650F594-L598 HydrophobicContact CD1-CD1 3.9Å; F594-L598 HydrophobicContact CD1-CG 4.44Å; F594-L598 HydrophobicContact CE1-CD1 3.71Å; F594-L598 HydrophobicContact CE1-CD2 4.49Å; F594-L598 HydrophobicContact CE1-CG 4.23Å; F594-L598 HydrophobicContact CZ-CD1 4.32Å; F594-L598 HydrophobicContact CZ-CD2 4.31Å; F594-L598 HydrophobicContact CZ-CG 4.39Å; F594-L598 WeakPolarHBondContact O-CG 3.26Å; F594-L598 PolarHBondContact O-N 2.93Å; L595-L598 PolarHBondContact O-N 2.96Å; L598-K600 VanDerWaalsContact C-N 3.31Å; L598-K600 PolarHBondContact O-N 3.04Å; L598-H601 CarbonylContact O-C 3.55Å; L598-H601 PolarHBondContact O-N 2.93Å; L598-G602 PolarHBondContact O-N 3.47Å; L598-I603 CarbonylContact C-O 3.58Å; L598-I603 VanDerWaalsContact C-O 3.31Å; L598-I603 HydrophobicContact CB-CB 4.3Å; L598-I603 HydrophobicContact CD2-CD1 3.86Å; L598-I603 PolarHBondContact O-N 2.99Å; L598-I603 VanDerWaalsContact O-N 3.08Å; L598-V606 HydrophobicContact CD1-CG2 4.42Å; L598-L617 HydrophobicContact CD1-CD2 4.17Å; L598-L647 HydrophobicContact CD2-CD2 3.8Å; L598-L650 HydrophobicContact CD2-CD1 4.08Å
599H85.6Confident85.3Confident122 Ų12267.4 Ų67.457%0.56537%0.365SS*.Hα-helixtrans-59.6-40.7177.1-171.3-74.9000112.1L595 H601 G602 I603L595-H599 PolarHBondContact O-N 2.94Å; H599-H601 PolarHBondContact O-N 3.37Å; H599-G602 PolarHBondContact O-N 3.13Å; H599-I603 VanDerWaalsContact CA-O 3.3Å; H599-I603 WeakPolarHBondContact CA-O 3.22Å; H599-I603 PolarHBondContact N-O 3.4Å
600K86Confident85.3Confident169 Ų16974.4 Ų74.474%0.73540%0.397SS*.Hα-helixtrans-65.4-25.4176.2-172.3175.8178.9178.80113.3A596 M597 L598 G602A596-K600 WeakPolarHBondContact O-CB 3.49Å; A596-K600 PolarHBondContact O-N 3.04Å; A596-K600 VanDerWaalsContact O-N 3.09Å; M597-K600 PolarHBondContact O-N 2.94Å; L598-K600 VanDerWaalsContact C-N 3.31Å; L598-K600 PolarHBondContact O-N 3.04Å; K600-G602 VanDerWaalsContact C-N 3.35Å
601H82.4Confident85.2Confident92 Ų9274.2 Ų74.243%0.42640%0.395SS..THydrogen-bonded Turntrans-94.511.5177.7-71.970.2000113M597 L598 H599M597-H601 WeakPolarHBondContact CE-CE1 3.23Å; M597-H601 PolarHBondContact O-N 2.93Å; M597-H601 VanDerWaalsContact O-N 3.15Å; M597-H601 PolarHBondContact O-ND1 3.43Å; L598-H601 CarbonylContact O-C 3.55Å; L598-H601 PolarHBondContact O-N 2.93Å; H599-H601 PolarHBondContact O-N 3.37Å
602G80.1Confident84.8Confident57 Ų5779 Ų7959%0.58843%0.425SS*.THydrogen-bonded Turntrans91.11.9173.600000115L598 H599 K600L598-G602 PolarHBondContact O-N 3.47Å; H599-G602 PolarHBondContact O-N 3.13Å; K600-G602 VanDerWaalsContact C-N 3.35Å
603I81.8Confident84.3Confident16 Ų1676.3 Ų76.38%0.08242%0.416CS..  trans-92.8101.7176.4-57.7169.7000107.7L598 H599 V606 L619 L643 L647L598-I603 CarbonylContact C-O 3.58Å; L598-I603 VanDerWaalsContact C-O 3.31Å; L598-I603 HydrophobicContact CB-CB 4.3Å; L598-I603 HydrophobicContact CD2-CD1 3.86Å; L598-I603 PolarHBondContact O-N 2.99Å; L598-I603 VanDerWaalsContact O-N 3.08Å; H599-I603 VanDerWaalsContact CA-O 3.3Å; H599-I603 WeakPolarHBondContact CA-O 3.22Å; H599-I603 PolarHBondContact N-O 3.4Å; I603-V606 HydrophobicContact CG2-CG2 3.8Å; I603-L619 HydrophobicContact CD1-CD2 4.06Å; I603-L619 HydrophobicContact CG2-CD2 3.61Å; I603-L619 HydrophobicContact CG2-CG 3.85Å; I603-L643 HydrophobicContact CD1-CD1 4.18Å; I603-L647 HydrophobicContact CD1-CD2 4.38Å
604T74.8Confident84.3Confident87 Ų8775 Ų7553%0.53441%0.407SS..  trans-111.8-23.9-170.454.60000113.7V606T604-V606 PolarHBondContact O-N 2.95Å
605E79.8Confident84.3Confident117 Ų11777.6 Ų77.655%0.54742%0.419SS..  trans-93.168.6-179.8-64.7-171.5169.300112Q620E605-Q620 PolarHBondContact O-N 2.91Å
606V85.8Confident84.3Confident34 Ų3477 Ų7721%0.20642%0.416CS..EExtended strand (participates in β ladder)trans-106.9116.6179-1720000110.4L595 L598 I603 T604 V608 L617 L619L595-V606 HydrophobicContact CD2-CB 4.26Å; L595-V606 HydrophobicContact CD2-CG1 3.82Å; L598-V606 HydrophobicContact CD1-CG2 4.42Å; I603-V606 HydrophobicContact CG2-CG2 3.8Å; T604-V606 PolarHBondContact O-N 2.95Å; V606-V608 HydrophobicContact CG1-CG2 4.38Å; V606-L617 HydrophobicContact CG1-CB 3.9Å; V606-L617 HydrophobicContact CG1-CD2 4.08Å; V606-L617 HydrophobicContact CG1-CG 4.33Å; V606-L619 HydrophobicContact CG1-CD1 4.37Å; V606-L619 HydrophobicContact CG2-CG 4.3Å
607K87.4Confident84.5Confident101 Ų10174.1 Ų74.144%0.43939%0.392SS..EExtended strand (participates in β ladder)trans-90.9127170.7-168.6-171.5-179.5-153.20109.3E609 L617 H618K607-E609 WeakPolarHBondContact CE-OE1 3.34Å; K607-E609 IonicContact NZ-OE1 2.64Å; K607-E609 PolarHBondContact NZ-OE1 3.16Å; K607-L617 CarbonylContact O-C 3.59Å; K607-L617 WeakPolarHBondContact O-CA 3.49Å; K607-H618 HydrophobicContact CB-CB 4.41Å; K607-H618 PolarHBondContact N-O 3.43Å; K607-H618 PolarHBondContact O-N 3.32Å
608V89.6Confident84.6Confident57 Ų5774.8 Ų74.835%0.34539%0.394SS..EExtended strand (participates in β ladder)trans-107.3129.1178.8-173.20000109.4L591 L595 V606 I616 L617L591-V608 HydrophobicContact CD1-CG1 4.21Å; L591-V608 HydrophobicContact CD2-CG1 4.22Å; L595-V608 HydrophobicContact CD1-CG2 3.99Å; L595-V608 HydrophobicContact CD2-CG2 3.89Å; V606-V608 HydrophobicContact CG1-CG2 4.38Å; V608-I616 CarbonylContact C-O 3.52Å; V608-I616 WeakPolarHBondContact CA-O 3.42Å; V608-L617 HydrophobicContact CG2-CG 4.38Å
609E89.1Confident84.7Confident90 Ų9074.7 Ų74.742%0.42139%0.394SS..EExtended strand (participates in β ladder)trans-118.8129.4173.8-63.5-175.2174.800109K607 I616K607-E609 WeakPolarHBondContact CE-OE1 3.34Å; K607-E609 IonicContact NZ-OE1 2.64Å; K607-E609 PolarHBondContact NZ-OE1 3.16Å; E609-I616 HydrophobicContact CB-CB 4.45Å; E609-I616 PolarHBondContact N-O 3.36Å; E609-I616 PolarHBondContact O-N 3.45Å
610E85.7Confident84.4Confident165 Ų16574.2 Ų74.277%0.77139%0.392SS*.EExtended strand (participates in β ladder)trans-85.7138.9175.4-67.8-174.8163.600110.5
611T84.1Confident84Confident60 Ų6069.6 Ų69.637%0.36839%0.385SS..  trans-123.5173.9176.962.30000110.3D613 G614 I616T611-D613 PolarHBondContact O-N 3.46Å; T611-G614 PolarHBondContact N-O 3.32Å; T611-G614 PolarHBondContact OG1-N 3.43Å; T611-G614 PolarHBondContact OG1-O 3.16Å; T611-I616 HydrophobicContact CG2-CD1 3.68Å; T611-I616 HydrophobicContact CG2-CG1 3.81Å
612T77.3Confident83.8Confident135 Ų13568.1 Ų68.183%0.82838%0.378SS*.SBendtrans-61.7-30179.844.30000113.4
613D76.4Confident83.9Confident109 Ų10970.2 Ų70.258%0.58338%0.376SS*.SBendtrans-122.28-169.5-54.3-63.6000112.9T611 E629 E630T611-D613 PolarHBondContact O-N 3.46Å; D613-E629 WeakPolarHBondContact O-CA 3.27Å; D613-E630 PolarHBondContact O-N 3.03Å
614G86.4Confident84.1Confident15 Ų1569.5 Ų69.516%0.15537%0.372CS..EExtended strand (participates in β ladder)trans163.3-152.9-177.700000115.8T611 L628T611-G614 PolarHBondContact N-O 3.32Å; T611-G614 PolarHBondContact OG1-N 3.43Å; T611-G614 PolarHBondContact OG1-O 3.16Å; G614-L628 CarbonylContact C-O 3.31Å; G614-L628 WeakPolarHBondContact CA-O 3.33Å
615H89.8Confident84.8Confident56 Ų5668.5 Ų68.526%0.25936%0.364SS..EExtended strand (participates in β ladder)trans-129139-177.2-52.3-72000111.8L591 L617 L628L591-H615 HydrophobicContact CD1-CB 4.1Å; L591-H615 HydrophobicContact CD2-CB 4.44Å; H615-L617 HydrophobicContact CB-CD1 4.37Å; H615-L628 PolarHBondContact N-O 3.01Å; H615-L628 PolarHBondContact O-N 2.96Å
616I89.3Confident85.2Confident36 Ų3663 Ų6319%0.18534%0.338CS..EExtended strand (participates in β ladder)trans-109121.3172.1-55.2-177.9000108.5V608 E609 T611 L625 I626 Q627V608-I616 CarbonylContact C-O 3.52Å; V608-I616 WeakPolarHBondContact CA-O 3.42Å; E609-I616 HydrophobicContact CB-CB 4.45Å; E609-I616 PolarHBondContact N-O 3.36Å; E609-I616 PolarHBondContact O-N 3.45Å; T611-I616 HydrophobicContact CG2-CD1 3.68Å; T611-I616 HydrophobicContact CG2-CG1 3.81Å; I616-L625 HydrophobicContact CG2-CD2 4.13Å; I616-I626 CarbonylContact C-O 3.57Å; I616-I626 WeakPolarHBondContact CA-O 3.42Å; I616-Q627 HydrophobicContact CG1-CG 4.19Å; I616-Q627 HydrophobicContact CG2-CG 4.47Å
617L90.5Very high85.3Confident0 Ų064.5 Ų64.50%034%0.343CS..EExtended strand (participates in β ladder)trans-104.6123.3174.4-60.179.1000108.5L591 F594 L595 L598 V606 K607 V608 H615 L625 I626 L628L591-L617 HydrophobicContact CD1-CD1 3.88Å; L591-L617 HydrophobicContact CD1-CD2 4.14Å; L591-L617 HydrophobicContact CD1-CG 4.18Å; F594-L617 HydrophobicContact CD1-CD2 4.04Å; F594-L617 HydrophobicContact CE1-CD2 4.32Å; L595-L617 HydrophobicContact CD2-CD2 3.58Å; L595-L617 HydrophobicContact CG-CD2 4.25Å; L598-L617 HydrophobicContact CD1-CD2 4.17Å; V606-L617 HydrophobicContact CG1-CB 3.9Å; V606-L617 HydrophobicContact CG1-CD2 4.08Å; V606-L617 HydrophobicContact CG1-CG 4.33Å; K607-L617 CarbonylContact O-C 3.59Å; K607-L617 WeakPolarHBondContact O-CA 3.49Å; V608-L617 HydrophobicContact CG2-CG 4.38Å; H615-L617 HydrophobicContact CB-CD1 4.37Å; L617-L625 WeakPolarHBondContact O-CA 3.22Å; L617-I626 HydrophobicContact CB-CB 4.23Å; L617-I626 PolarHBondContact N-O 3.08Å; L617-I626 PolarHBondContact O-N 2.95Å; L617-L628 HydrophobicContact CD1-CD1 3.71Å; L617-L628 HydrophobicContact CD1-CG 3.9Å
618H88.3Confident85.4Confident51 Ų5160.2 Ų60.224%0.23632%0.324CS..EExtended strand (participates in β ladder)trans-110.5113.1175.8-175.9-168000109.6K607 Q620 L625K607-H618 HydrophobicContact CB-CB 4.41Å; K607-H618 PolarHBondContact N-O 3.43Å; K607-H618 PolarHBondContact O-N 3.32Å; H618-Q620 PolarHBondContact O-N 2.74Å; H618-L625 HydrophobicContact CB-CD2 3.81Å
619L88.5Confident85.2Confident0 Ų060.8 Ų60.80%032%0.323CS..EExtended strand (participates in β ladder)trans-86.398.7173.4-74.569.4000107.5I603 V606 E622 D623 T624 I626 L647I603-L619 HydrophobicContact CD1-CD2 4.06Å; I603-L619 HydrophobicContact CG2-CD2 3.61Å; I603-L619 HydrophobicContact CG2-CG 3.85Å; V606-L619 HydrophobicContact CG1-CD1 4.37Å; V606-L619 HydrophobicContact CG2-CG 4.3Å; L619-E622 HydrophobicContact CB-CB 4.37Å; L619-E622 PolarHBondContact O-N 2.96Å; L619-D623 PolarHBondContact O-N 3.15Å; L619-D623 VanDerWaalsContact O-N 3.1Å; L619-T624 PolarHBondContact N-O 3.29Å; L619-T624 PolarHBondContact O-N 3.35Å; L619-I626 HydrophobicContact CD1-CD1 3.87Å; L619-I626 HydrophobicContact CD1-CG1 4.26Å; L619-L647 HydrophobicContact CD2-CD2 4.47Å
620Q79.9Confident84.4Confident112 Ų11266 Ų6652%0.52335%0.348SS..THydrogen-bonded Turntrans-71.7-33.1-166.7-67.1-173.4-30.200113.4E605 H618 E622E605-Q620 PolarHBondContact O-N 2.91Å; H618-Q620 PolarHBondContact O-N 2.74Å; Q620-E622 VanDerWaalsContact C-N 3.29Å
621A77.8Confident83.7Confident72 Ų7265.2 Ų65.260%0.59535%0.349SS*.THydrogen-bonded Turntrans-74.8-23.4-179.900000112.2
622E77.4Confident83.6Confident60 Ų6063.3 Ų63.328%0.2834%0.341SS..THydrogen-bonded Turntrans-112.15.2-173.8-58.585.1173.800114.3L619 Q620 T624 L643L619-E622 HydrophobicContact CB-CB 4.37Å; L619-E622 PolarHBondContact O-N 2.96Å; Q620-E622 VanDerWaalsContact C-N 3.29Å; E622-T624 PolarHBondContact O-N 3.32Å; E622-T624 VanDerWaalsContact O-N 3.16Å; E622-T624 PolarHBondContact O-OG1 2.91Å; E622-L643 HydrophobicContact CB-CD2 3.61Å; E622-L643 HydrophobicContact CG-CD2 4.01Å
623D82.3Confident84Confident101 Ų10159.7 Ų59.754%0.5432%0.319SS..THydrogen-bonded Turntrans4347-176.1-155.713.7000112.7L619L619-D623 PolarHBondContact O-N 3.15Å; L619-D623 VanDerWaalsContact O-N 3.1Å
624T86.2Confident84.4Confident1 Ų159.1 Ų59.11%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-120.8130.5-174.6-65.30000110.8L619 E622 I626 I635 V636 C637 L643 L647L619-T624 PolarHBondContact N-O 3.29Å; L619-T624 PolarHBondContact O-N 3.35Å; E622-T624 PolarHBondContact O-N 3.32Å; E622-T624 VanDerWaalsContact O-N 3.16Å; E622-T624 PolarHBondContact O-OG1 2.91Å; T624-I626 HydrophobicContact CG2-CG1 4.36Å; T624-I635 HydrophobicContact CG2-CG2 4.23Å; T624-V636 WeakPolarHBondContact CA-O 3.42Å; T624-C637 HydrophobicContact CG2-CB 3.84Å; T624-C637 WeakPolarHBondContact OG1-CB 3.48Å; T624-L643 WeakPolarHBondContact OG1-CD2 3.42Å; T624-L647 HydrophobicContact CG2-CD1 3.78Å
625L88.3Confident84.5Confident67 Ų6761.4 Ų61.435%0.35132%0.32SS..EExtended strand (participates in β ladder)trans-110.5128.7179.1-72.3162.5000110.2I616 L617 H618 I635 V636I616-L625 HydrophobicContact CG2-CD2 4.13Å; L617-L625 WeakPolarHBondContact O-CA 3.22Å; H618-L625 HydrophobicContact CB-CD2 3.81Å; L625-I635 WeakPolarHBondContact O-CA 3.39Å; L625-V636 HydrophobicContact CB-CB 4.37Å; L625-V636 PolarHBondContact N-O 3.33Å; L625-V636 PolarHBondContact O-N 3.27Å
626I89.1Confident84.2Confident0 Ų063 Ų630%033%0.334CS..EExtended strand (participates in β ladder)trans-121.1117.3175.6-54.1174.4000108.3F594 I616 L617 L619 T624 L628 H634 I635 L647F594-I626 HydrophobicContact CE1-CD1 4Å; F594-I626 HydrophobicContact CE1-CG2 4.41Å; F594-I626 HydrophobicContact CZ-CD1 4.27Å; I616-I626 CarbonylContact C-O 3.57Å; I616-I626 WeakPolarHBondContact CA-O 3.42Å; L617-I626 HydrophobicContact CB-CB 4.23Å; L617-I626 PolarHBondContact N-O 3.08Å; L617-I626 PolarHBondContact O-N 2.95Å; L619-I626 HydrophobicContact CD1-CD1 3.87Å; L619-I626 HydrophobicContact CD1-CG1 4.26Å; T624-I626 HydrophobicContact CG2-CG1 4.36Å; I626-L628 HydrophobicContact CG2-CD2 3.96Å; I626-L628 HydrophobicContact CG2-CG 4.21Å; I626-H634 CarbonylContact C-O 3.52Å; I626-H634 WeakPolarHBondContact CA-O 3.45Å; I626-I635 HydrophobicContact CG1-CG1 4.23Å; I626-I635 HydrophobicContact CG1-CG2 4.21Å; I626-I635 HydrophobicContact CG2-CG1 4.12Å; I626-L647 HydrophobicContact CD1-CD1 4.44Å; I626-L647 HydrophobicContact CD1-CD2 4.02Å
627Q88.4Confident84Confident66 Ų6663 Ų6331%0.30834%0.337SS..EExtended strand (participates in β ladder)trans-101.4121.5173.6-54.6177.6-41.100108.5I616 T633 H634I616-Q627 HydrophobicContact CG1-CG 4.19Å; I616-Q627 HydrophobicContact CG2-CG 4.47Å; Q627-T633 CarbonylContact O-C 3.03Å; Q627-T633 VanDerWaalsContact O-CA 3.3Å; Q627-T633 WeakPolarHBondContact O-CA 3.12Å; Q627-H634 HydrophobicContact CB-CB 4.21Å; Q627-H634 PolarHBondContact N-O 2.88Å; Q627-H634 PolarHBondContact O-N 2.78Å
628L88.4Confident83.4Confident11 Ų1168.3 Ų68.36%0.05837%0.365CS..EExtended strand (participates in β ladder)trans-109.8104.2175.4-60.7-179.2000108.2V589 L591 F594 G614 H615 L617 I626 T633V589-L628 HydrophobicContact CB-CD2 4.13Å; V589-L628 HydrophobicContact CG1-CD1 4.34Å; V589-L628 HydrophobicContact CG1-CD2 4.29Å; L591-L628 HydrophobicContact CD1-CD1 4.33Å; F594-L628 HydrophobicContact CD1-CD1 4.21Å; G614-L628 CarbonylContact C-O 3.31Å; G614-L628 WeakPolarHBondContact CA-O 3.33Å; H615-L628 PolarHBondContact N-O 3.01Å; H615-L628 PolarHBondContact O-N 2.96Å; L617-L628 HydrophobicContact CD1-CD1 3.71Å; L617-L628 HydrophobicContact CD1-CG 3.9Å; I626-L628 HydrophobicContact CG2-CD2 3.96Å; I626-L628 HydrophobicContact CG2-CG 4.21Å; L628-T633 HydrophobicContact CD2-CG2 3.6Å
629E85.3Confident82.8Confident69 Ų6974.5 Ų74.532%0.32240%0.4SS..EExtended strand (participates in β ladder)trans-113.7168.1-179.3-64.6176.1176.300110.4D613 D631 G632D613-E629 WeakPolarHBondContact O-CA 3.27Å; E629-D631 VanDerWaalsContact C-N 3.29Å; E629-D631 PolarHBondContact O-N 3.45Å; E629-G632 PolarHBondContact N-O 3.29Å; E629-G632 VanDerWaalsContact O-O 3.12Å
630E72.8Confident82.4Confident200 Ų20078 Ų7894%0.93542%0.419SS*.SBendtrans-63.7-32178.7-75.4-163.1157.700113.5D613D613-E630 PolarHBondContact O-N 3.03Å
631D71.3Confident82.3Confident149 Ų14977.5 Ų77.580%0.79742%0.416SS*.SBendtrans-109.7-1.2-175.966.7-19.2000114E629E629-D631 VanDerWaalsContact C-N 3.29Å; E629-D631 PolarHBondContact O-N 3.45Å
632G81.1Confident82.6Confident19 Ų1978.7 Ų78.720%0.19642%0.418CS..  trans-162.3158.6-174.200000115.8E629E629-G632 PolarHBondContact N-O 3.29Å; E629-G632 VanDerWaalsContact O-O 3.12Å
633T85.6Confident82.8Confident59 Ų5976.6 Ų76.636%0.36241%0.409SS..EExtended strand (participates in β ladder)trans-129.5116.7166.1-65.60000108.4Q627 L628 I635Q627-T633 CarbonylContact O-C 3.03Å; Q627-T633 VanDerWaalsContact O-CA 3.3Å; Q627-T633 WeakPolarHBondContact O-CA 3.12Å; L628-T633 HydrophobicContact CD2-CG2 3.6Å; T633-I635 HydrophobicContact CG2-CG1 4.39Å
634H85.8Confident82.8Confident98 Ų9877 Ų7745%0.45440%0.402SS..EExtended strand (participates in β ladder)trans-111128.4-179.8-63.9-87000109.8I626 Q627I626-H634 CarbonylContact C-O 3.52Å; I626-H634 WeakPolarHBondContact CA-O 3.45Å; Q627-H634 HydrophobicContact CB-CB 4.21Å; Q627-H634 PolarHBondContact N-O 2.88Å; Q627-H634 PolarHBondContact O-N 2.78Å
635I88Confident82.7Confident62 Ų6279.1 Ų79.132%0.31842%0.415SS..EExtended strand (participates in β ladder)trans-120.6120176.2-56.5174.9000107.6T624 L625 I626 T633 L647 V651T624-I635 HydrophobicContact CG2-CG2 4.23Å; L625-I635 WeakPolarHBondContact O-CA 3.39Å; I626-I635 HydrophobicContact CG1-CG1 4.23Å; I626-I635 HydrophobicContact CG1-CG2 4.21Å; I626-I635 HydrophobicContact CG2-CG1 4.12Å; T633-I635 HydrophobicContact CG2-CG1 4.39Å; I635-L647 HydrophobicContact CD1-CB 4.45Å; I635-L647 HydrophobicContact CG2-CD1 4.16Å; I635-V651 HydrophobicContact CD1-CG2 4.09Å
636V85Confident82.5Confident91 Ų9178 Ų7855%0.55242%0.416SS*.EExtended strand (participates in β ladder)trans-113.2114.3176-175.10000107.2T624 L625T624-V636 WeakPolarHBondContact CA-O 3.42Å; L625-V636 HydrophobicContact CB-CB 4.37Å; L625-V636 PolarHBondContact N-O 3.33Å; L625-V636 PolarHBondContact O-N 3.27Å
637C83.8Confident82.3Confident35 Ų3578.1 Ų78.124%0.23642%0.416CS..  trans-136.4151.2177.463.90000109.7T624T624-C637 HydrophobicContact CG2-CB 3.84Å; T624-C637 WeakPolarHBondContact OG1-CB 3.48Å
638D78Confident82.2Confident111 Ų11180.2 Ų80.259%0.59442%0.422SS*.  trans-68.6-179.3170.1-78.4-13.2000112N640D638-N640 PolarHBondContact O-N 3.12Å
639D75.8Confident82Confident182 Ų18283 Ų8397%0.97344%0.437SS*.SBendtrans-65.750.7-176.1-79.2-25.7000114.4
640N80.1Confident82.1Confident73 Ų7380 Ų8039%0.3942%0.422SS..  trans-110.683.3177.1-171.4-15.9000110.4D638 P642 L643 R644D638-N640 PolarHBondContact O-N 3.12Å; N640-P642 VanDerWaalsContact OD1-CD 3.31Å; N640-P642 WeakPolarHBondContact OD1-CD 3.37Å; N640-L643 HydrophobicContact CB-CB 4.16Å; N640-L643 PolarHBondContact O-N 2.98Å; N640-L643 PolarHBondContact OD1-N 3.42Å; N640-R644 PolarHBondContact O-N 3.3Å
641E78.4Confident82.7Confident102 Ų10271.1 Ų71.148%0.47738%0.382SS..Hα-helixtrans-56.7-40.6-179.1-87.5-66.5176.500115.6L643 R644 T645E641-L643 PolarHBondContact O-N 2.93Å; E641-R644 VanDerWaalsContact CD-NE 3.27Å; E641-R644 PolarHBondContact O-N 3.3Å; E641-R644 IonicContact OE1-CZ 3.33Å; E641-R644 IonicContact OE1-NE 3.15Å; E641-R644 PolarHBondContact OE1-NE 3Å; E641-R644 VanDerWaalsContact OE1-NE 3.15Å; E641-R644 IonicContact OE1-NH2 2.84Å; E641-R644 PolarHBondContact OE1-NH2 3.47Å; E641-R644 IonicContact OE2-CZ 3.17Å; E641-R644 IonicContact OE2-NE 2.83Å; E641-R644 PolarHBondContact OE2-NE 3.01Å; E641-R644 IonicContact OE2-NH2 2.69Å; E641-R644 PolarHBondContact OE2-NH2 3.21Å; E641-T645 PolarHBondContact O-N 3.45Å; E641-T645 PolarHBondContact O-OG1 2.95Å
642P82.8Confident83.4Confident96 Ų9667 Ų6762%0.62336%0.359SS*.Hα-helixtrans-58.9-44.2174.2-25.833.1000113.5N640 T645 A646N640-P642 VanDerWaalsContact OD1-CD 3.31Å; N640-P642 WeakPolarHBondContact OD1-CD 3.37Å; P642-T645 PolarHBondContact O-OG1 2.87Å; P642-A646 WeakPolarHBondContact O-CB 3.44Å; P642-A646 PolarHBondContact O-N 3.03Å; P642-A646 VanDerWaalsContact O-N 3.12Å
643L83.1Confident83.5Confident17 Ų1774 Ų749%0.08938%0.38CS..Hα-helixtrans-67-44.7177.7179.765000111.1I603 E622 T624 N640 E641 T645 A646 L647I603-L643 HydrophobicContact CD1-CD1 4.18Å; E622-L643 HydrophobicContact CB-CD2 3.61Å; E622-L643 HydrophobicContact CG-CD2 4.01Å; T624-L643 WeakPolarHBondContact OG1-CD2 3.42Å; N640-L643 HydrophobicContact CB-CB 4.16Å; N640-L643 PolarHBondContact O-N 2.98Å; N640-L643 PolarHBondContact OD1-N 3.42Å; E641-L643 PolarHBondContact O-N 2.93Å; L643-T645 VanDerWaalsContact C-N 3.33Å; L643-T645 PolarHBondContact O-N 3.42Å; L643-A646 PolarHBondContact O-N 3.18Å; L643-L647 HydrophobicContact CD1-CD1 4.17Å; L643-L647 HydrophobicContact CD1-CG 4.16Å; L643-L647 HydrophobicContact CG-CD1 3.96Å; L643-L647 HydrophobicContact CG-CG 4.34Å; L643-L647 WeakPolarHBondContact O-CB 3.36Å; L643-L647 WeakPolarHBondContact O-CG 3.22Å; L643-L647 PolarHBondContact O-N 3.12Å
644R81.5Confident83.3Confident109 Ų10973.5 Ų73.541%0.41137%0.373SS..Hα-helixtrans-58.4-44.5178.8-169.9-17270.497.2-5.3112.1N640 E641 R648N640-R644 PolarHBondContact O-N 3.3Å; E641-R644 VanDerWaalsContact CD-NE 3.27Å; E641-R644 PolarHBondContact O-N 3.3Å; E641-R644 IonicContact OE1-CZ 3.33Å; E641-R644 IonicContact OE1-NE 3.15Å; E641-R644 PolarHBondContact OE1-NE 3Å; E641-R644 VanDerWaalsContact OE1-NE 3.15Å; E641-R644 IonicContact OE1-NH2 2.84Å; E641-R644 PolarHBondContact OE1-NH2 3.47Å; E641-R644 IonicContact OE2-CZ 3.17Å; E641-R644 IonicContact OE2-NE 2.83Å; E641-R644 PolarHBondContact OE2-NE 3.01Å; E641-R644 IonicContact OE2-NH2 2.69Å; E641-R644 PolarHBondContact OE2-NH2 3.21Å; R644-R648 WeakPolarHBondContact O-CB 3.34Å; R644-R648 PolarHBondContact O-N 3.48Å
645T83.7Confident83.1Confident45 Ų4570.6 Ų70.628%0.27636%0.361SS..Hα-helixtrans-68.1-38.8178.344.30000112.4E641 P642 L643 D649E641-T645 PolarHBondContact O-N 3.45Å; E641-T645 PolarHBondContact O-OG1 2.95Å; P642-T645 PolarHBondContact O-OG1 2.87Å; L643-T645 VanDerWaalsContact C-N 3.33Å; L643-T645 PolarHBondContact O-N 3.42Å; T645-D649 VanDerWaalsContact O-CG 3.28Å; T645-D649 PolarHBondContact O-N 3.4Å
646A84.8Confident82.3Confident44 Ų4473.8 Ų73.836%0.36438%0.376SS..Hα-helixtrans-63.5-48.1174.200000112.1P642 L643 R648 D649 L650P642-A646 WeakPolarHBondContact O-CB 3.44Å; P642-A646 PolarHBondContact O-N 3.03Å; P642-A646 VanDerWaalsContact O-N 3.12Å; L643-A646 PolarHBondContact O-N 3.18Å; A646-R648 PolarHBondContact O-N 3.32Å; A646-D649 PolarHBondContact O-N 2.88Å; A646-L650 WeakPolarHBondContact O-CB 3.42Å; A646-L650 VanDerWaalsContact O-CG 3.24Å; A646-L650 WeakPolarHBondContact O-CG 3.4Å; A646-L650 PolarHBondContact O-N 3.25Å
647L85.9Confident81.6Confident2 Ų276.9 Ų76.91%0.0138%0.382CS..Hα-helixtrans-61.7-42.6178-71.6176.2000111.8L598 I603 L619 T624 I626 I635 L643 D649 L650 V651L598-L647 HydrophobicContact CD2-CD2 3.8Å; I603-L647 HydrophobicContact CD1-CD2 4.38Å; L619-L647 HydrophobicContact CD2-CD2 4.47Å; T624-L647 HydrophobicContact CG2-CD1 3.78Å; I626-L647 HydrophobicContact CD1-CD1 4.44Å; I626-L647 HydrophobicContact CD1-CD2 4.02Å; I635-L647 HydrophobicContact CD1-CB 4.45Å; I635-L647 HydrophobicContact CG2-CD1 4.16Å; L643-L647 HydrophobicContact CD1-CD1 4.17Å; L643-L647 HydrophobicContact CD1-CG 4.16Å; L643-L647 HydrophobicContact CG-CD1 3.96Å; L643-L647 HydrophobicContact CG-CG 4.34Å; L643-L647 WeakPolarHBondContact O-CB 3.36Å; L643-L647 WeakPolarHBondContact O-CG 3.22Å; L643-L647 PolarHBondContact O-N 3.12Å; L647-D649 PolarHBondContact O-N 3.08Å; L647-L650 PolarHBondContact O-N 3.3Å; L647-V651 WeakPolarHBondContact O-CG2 3.34Å; L647-V651 PolarHBondContact O-N 3.33Å
648R85.1Confident80.4Confident111 Ų11178.1 Ų78.142%0.41939%0.386SS..Hα-helixtrans-55.4-53.4172.7-179.5-16269.2-160.1-4.2110.9R644 A646 L650 V651 L652R644-R648 WeakPolarHBondContact O-CB 3.34Å; R644-R648 PolarHBondContact O-N 3.48Å; A646-R648 PolarHBondContact O-N 3.32Å; R648-L650 VanDerWaalsContact C-N 3.25Å; R648-L650 PolarHBondContact O-N 2.93Å; R648-V651 PolarHBondContact O-N 2.99Å; R648-L652 HydrophobicContact CG-CD1 3.91Å; R648-L652 HydrophobicContact CG-CG 4.32Å; R648-L652 WeakPolarHBondContact O-CB 3.43Å; R648-L652 WeakPolarHBondContact O-CG 3.38Å; R648-L652 PolarHBondContact O-N 3.12Å
649D85.1Confident80.5Confident69 Ų6976.5 Ų76.537%0.36938%0.375SS..Hα-helixtrans-68-27.2-175.5-67.7-7.3000112.4T645 A646 L647 R653T645-D649 VanDerWaalsContact O-CG 3.28Å; T645-D649 PolarHBondContact O-N 3.4Å; A646-D649 PolarHBondContact O-N 2.88Å; L647-D649 PolarHBondContact O-N 3.08Å; D649-R653 WeakPolarHBondContact O-CG 3.25Å
650L86.6Confident80.8Confident5 Ų570.9 Ų70.93%0.02634%0.344CS..Hα-helixtrans-69.1-49.3171.9-74.2169.3000111.9F594 M597 L598 A646 L647 R648 L652 R653 F654F594-L650 HydrophobicContact CE2-CB 4.24Å; M597-L650 HydrophobicContact CB-CD2 4.48Å; M597-L650 HydrophobicContact CE-CD2 3.32Å; L598-L650 HydrophobicContact CD2-CD1 4.08Å; A646-L650 WeakPolarHBondContact O-CB 3.42Å; A646-L650 VanDerWaalsContact O-CG 3.24Å; A646-L650 WeakPolarHBondContact O-CG 3.4Å; A646-L650 PolarHBondContact O-N 3.25Å; L647-L650 PolarHBondContact O-N 3.3Å; R648-L650 VanDerWaalsContact C-N 3.25Å; R648-L650 PolarHBondContact O-N 2.93Å; L650-L652 VanDerWaalsContact C-N 3.35Å; L650-L652 PolarHBondContact O-N 3Å; L650-R653 PolarHBondContact O-N 2.89Å; L650-F654 WeakPolarHBondContact O-CD2 3.35Å
651V86Confident80.8Confident14 Ų1470.8 Ų70.89%0.08534%0.341CS..Hα-helixtrans-62.7-42.5178.3169.50000111V589 F594 I635 L647 R648 R653 F654 L655V589-V651 HydrophobicContact CG2-CG1 4.07Å; F594-V651 HydrophobicContact CE2-CG2 3.65Å; F594-V651 HydrophobicContact CZ-CG2 3.69Å; I635-V651 HydrophobicContact CD1-CG2 4.09Å; L647-V651 WeakPolarHBondContact O-CG2 3.34Å; L647-V651 PolarHBondContact O-N 3.33Å; R648-V651 PolarHBondContact O-N 2.99Å; V651-R653 PolarHBondContact O-N 3.4Å; V651-F654 PolarHBondContact O-N 3.08Å; V651-L655 HydrophobicContact CG1-CD1 4.07Å
652L84.6Confident80.9Confident62 Ų6268.9 Ų68.933%0.32533%0.333SS..G310 helixtrans-59.2-21.9179.6-73.8178000114.2L585 R648 L650 F654 L655L585-L652 HydrophobicContact CD1-CD2 3.2Å; L585-L652 HydrophobicContact CD2-CD2 3.96Å; L585-L652 HydrophobicContact CG-CD2 4.21Å; R648-L652 HydrophobicContact CG-CD1 3.91Å; R648-L652 HydrophobicContact CG-CG 4.32Å; R648-L652 WeakPolarHBondContact O-CB 3.43Å; R648-L652 WeakPolarHBondContact O-CG 3.38Å; R648-L652 PolarHBondContact O-N 3.12Å; L650-L652 VanDerWaalsContact C-N 3.35Å; L650-L652 PolarHBondContact O-N 3Å; L652-F654 VanDerWaalsContact C-N 3.29Å; L652-F654 PolarHBondContact O-N 3.39Å; L652-L655 PolarHBondContact O-N 3.48Å
653R84.2Confident80.8Confident167 Ų16767.3 Ų67.363%0.6332%0.315SS*.G310 helixtrans-73.3-21.7177.4-70.8174.7-168.3-164.16.3113.5D649 L650 V651D649-R653 WeakPolarHBondContact O-CG 3.25Å; L650-R653 PolarHBondContact O-N 2.89Å; V651-R653 PolarHBondContact O-N 3.4Å
654F81.9Confident80.7Confident48 Ų4870.6 Ų70.621%0.21133%0.33CS..G310 helixtrans-89.6-9177.6-65.3-80.3000112.5V589 P590 A593 F594 M597 L650 V651 L652V589-F654 HydrophobicContact CG1-CB 4.42Å; V589-F654 HydrophobicContact CG1-CD2 4.14Å; V589-F654 HydrophobicContact CG1-CG 4.25Å; V589-F654 HydrophobicContact CG2-CB 4.17Å; P590-F654 HydrophobicContact CG-CD1 3.93Å; P590-F654 HydrophobicContact CG-CE1 4.12Å; A593-F654 HydrophobicContact CB-CE1 3.9Å; A593-F654 HydrophobicContact CB-CZ 4.37Å; F594-F654 HydrophobicContact CB-CE2 4.47Å; F594-F654 HydrophobicContact CB-CZ 4.47Å; F594-F654 HydrophobicContact CD2-CD2 4.02Å; F594-F654 AromaticContact CD2-CE2 3.61Å; F594-F654 HydrophobicContact CD2-CE2 3.61Å; F594-F654 HydrophobicContact CD2-CZ 4.38Å; F594-F654 HydrophobicContact CE2-CE2 4.41Å; M597-F654 HydrophobicContact CB-CZ 4.41Å; M597-F654 HydrophobicContact CG-CE2 4.42Å; M597-F654 HydrophobicContact CG-CZ 3.98Å; L650-F654 WeakPolarHBondContact O-CD2 3.35Å; V651-F654 PolarHBondContact O-N 3.08Å; L652-F654 VanDerWaalsContact C-N 3.29Å; L652-F654 PolarHBondContact O-N 3.39Å
655L81.3Confident80.6Confident38 Ų3867.9 Ų67.920%0.19932%0.324CS..SBendtrans-105.1134.8-176-56177.3000110.6L585 G587 V589 V651 L652L585-L655 HydrophobicContact CB-CB 4.06Å; L585-L655 HydrophobicContact CB-CD1 3.94Å; L585-L655 HydrophobicContact CD1-CD1 4.24Å; L585-L655 HydrophobicContact CD2-CB 4.16Å; G587-L655 WeakPolarHBondContact O-CD2 3.22Å; V589-L655 HydrophobicContact CG2-CD2 4.33Å; V651-L655 HydrophobicContact CG1-CD1 4.07Å; L652-L655 PolarHBondContact O-N 3.48Å
656M71.8Confident80.4Confident128 Ų12869.6 Ų69.663%0.63133%0.328SS*.EExtended strand (participates in β ladder)trans-81.7138.7170.5-61.2-176.666.600109.5L585 S586L585-M656 CarbonylContact C-O 3.51Å; L585-M656 WeakPolarHBondContact CA-O 3.42Å; S586-M656 PolarHBondContact N-O 2.93Å; S586-M656 WeakPolarHBondContact O-CB 3.31Å; S586-M656 PolarHBondContact O-N 3.41Å
657K68.4Low80Confident157 Ų15771.8 Ų71.868%0.68333%0.325SS*.EExtended strand (participates in β ladder)trans-81.6121.1170.4-68.8178.2-178.8-178.40108.5P583 L585P583-K657 HydrophobicContact CB-CB 3.94Å; P583-K657 HydrophobicContact CB-CG 4.28Å; P583-K657 HydrophobicContact CG-CB 4.24Å; P583-K657 HydrophobicContact CG-CD 3.97Å; P583-K657 HydrophobicContact CG-CG 4.06Å; L585-K657 HydrophobicContact CD2-CG 3.78Å
658L59.1Low79.5Confident60 Ų6078.1 Ų78.131%0.31435%0.354SS..  trans-88.10174.4-65.7176000112I531 T539 P583 L584 S586I531-L658 HydrophobicContact CD1-CD2 3.9Å; T539-L658 HydrophobicContact CG2-CB 4.46Å; P583-L658 WeakPolarHBondContact CB-O 3.41Å; L584-L658 HydrophobicContact CB-CB 4.26Å; L584-L658 HydrophobicContact CB-CD1 4.38Å; L584-L658 WeakPolarHBondContact O-CB 3.36Å; L584-L658 PolarHBondContact O-N 3.13Å; S586-L658 VanDerWaalsContact CB-CD1 3.46Å

Retrieved 658 of 658 residues in 2042.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).