A0A3Q0KGU0_SCHMA Loading...

WD-repeat protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KGU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,333 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44Very low80.3Confident146 Ų14636.5 Ų36.572%0.71921%0.205SC*.  0147.60-67.6-180-167.800107.5D704M1-D704 PolarHBondContact N-OD2 3.47Å
2A54.4Low81.3Confident34 Ų3433.7 Ų33.728%0.28119%0.19SC..PPolyproline II helixtrans-54.3140.9179.200000111.9
3A62.8Low82.2Confident3 Ų331.3 Ų31.33%0.02518%0.176CC..PPolyproline II helixtrans-66.8142.4169.900000109.4M641 Y667 I700 Q701 E702A3-M641 HydrophobicContact CB-CE 4.05Å; A3-M641 HydrophobicContact CB-CG 3.7Å; A3-M641 HydrophobicContact CB-SD 3.71Å; A3-Y667 PolarHBondContact O-OH 2.91Å; A3-Y667 VanDerWaalsContact O-OH 3.12Å; A3-I700 HydrophobicContact CB-CG2 4.04Å; A3-Q701 WeakPolarHBondContact CA-O 3.22Å; A3-E702 HydrophobicContact CB-CG 4.12Å
4V78.1Confident82.9Confident48 Ų4832.4 Ų32.429%0.29118%0.176SC..EExtended strand (participates in β ladder)trans-98.9118.6-179.3-177.80000108.8Y667 Q701V4-Y667 WeakPolarHBondContact CA-OH 3.29Å; V4-Q701 PolarHBondContact N-O 3.04Å; V4-Q701 VanDerWaalsContact N-O 3.07Å; V4-Q701 PolarHBondContact O-N 3.23Å
5A86.7Confident83.4Confident8 Ų832.4 Ų32.47%0.06618%0.178CC..EExtended strand (participates in β ladder)trans-80.9141.4165.900000109.9Y667 W698 N699 I700A5-Y667 HydrophobicContact CB-CD1 3.92Å; A5-Y667 HydrophobicContact CB-CD2 4.18Å; A5-Y667 HydrophobicContact CB-CE1 3.71Å; A5-Y667 HydrophobicContact CB-CE2 3.97Å; A5-Y667 HydrophobicContact CB-CG 4.15Å; A5-Y667 PolarHBondContact N-OH 2.86Å; A5-Y667 VanDerWaalsContact N-OH 3.12Å; A5-Y667 WeakPolarHBondContact O-CD1 3.36Å; A5-Y667 WeakPolarHBondContact O-CE1 3.33Å; A5-W698 HydrophobicContact CB-CE3 4.28Å; A5-N699 CarbonylContact C-O 3.56Å; A5-N699 WeakPolarHBondContact CA-O 3.5Å; A5-I700 HydrophobicContact CB-CG1 4.42Å
6S91Very high83.6Confident47 Ų4735.3 Ų35.333%0.32922%0.217SC..EExtended strand (participates in β ladder)trans-142.7141.8-178.955.70000110.1K8 W698 N699S6-K8 PolarHBondContact O-N 3.26Å; S6-W698 CarbonylContact O-C 3.36Å; S6-W698 VanDerWaalsContact O-CA 3.27Å; S6-W698 WeakPolarHBondContact O-CA 3.5Å; S6-N699 PolarHBondContact N-O 2.88Å; S6-N699 PolarHBondContact O-N 2.92Å; S6-N699 PolarHBondContact OG-O 2.71Å
7L92.6Very high84.1Confident39 Ų3933.9 Ų33.920%0.20421%0.208CC..EExtended strand (participates in β ladder)trans-65.9124.2179-66.9168.5000110.2I10 N36 F49 I696 W698L7-I10 HydrophobicContact CD1-CD1 4.32Å; L7-I10 HydrophobicContact CD2-CD1 4.13Å; L7-I10 HydrophobicContact CD2-CG1 4.39Å; L7-N36 WeakPolarHBondContact CD1-OD1 3.5Å; L7-F49 HydrophobicContact CB-CD2 3.51Å; L7-F49 HydrophobicContact CB-CE2 3.7Å; L7-F49 HydrophobicContact CB-CG 4.02Å; L7-F49 HydrophobicContact CB-CZ 4.35Å; L7-F49 HydrophobicContact CD1-CB 3.8Å; L7-F49 HydrophobicContact CD1-CD1 4.27Å; L7-F49 HydrophobicContact CD1-CD2 4.15Å; L7-F49 HydrophobicContact CD1-CG 3.79Å; L7-F49 HydrophobicContact CG-CD2 4.49Å; L7-I696 HydrophobicContact CD2-CG2 3.38Å; L7-W698 HydrophobicContact CD2-CD2 4.06Å; L7-W698 HydrophobicContact CD2-CE3 3.75Å; L7-W698 HydrophobicContact CD2-CH2 3.54Å; L7-W698 HydrophobicContact CD2-CZ2 3.84Å; L7-W698 HydrophobicContact CD2-CZ3 3.49Å; L7-W698 VanDerWaalsContact CD2-CZ3 3.49Å; L7-W698 HydrophobicContact CG-CE3 4.19Å; L7-W698 HydrophobicContact CG-CH2 4.24Å; L7-W698 HydrophobicContact CG-CZ3 3.82Å
8K91.8Very high84.6Confident55 Ų5533.7 Ų33.724%0.23921%0.208CC..EExtended strand (participates in β ladder)trans-94.8-55.4171.7177.1-173.8174.1-175.40110.5S6 F451 Y685 I697 N699S6-K8 PolarHBondContact O-N 3.26Å; K8-F451 PolarHBondContact NZ-O 3.19Å; K8-Y685 HydrophobicContact CD-CD1 4.17Å; K8-Y685 HydrophobicContact CD-CE1 3.66Å; K8-Y685 PolarHBondContact NZ-OH 3.16Å; K8-I697 HydrophobicContact CB-CG2 4.26Å; K8-I697 WeakPolarHBondContact CB-O 3.45Å; K8-I697 HydrophobicContact CD-CG2 3.94Å; K8-I697 PolarHBondContact N-O 2.97Å; K8-N699 HydrophobicContact CB-CB 4.44Å
9H93.4Very high84.8Confident19 Ų1933.2 Ų33.29%0.08821%0.21CC..EExtended strand (participates in β ladder)trans-152.9148.2-176.1-16088.4000110.4F11 Q47 I697H9-F11 AromaticContact CD2-CD1 3.83Å; H9-F11 AromaticContact CD2-CE1 3.51Å; H9-F11 AromaticContact CD2-CE2 3.97Å; H9-F11 AromaticContact CD2-CZ 3.61Å; H9-F11 AromaticContact NE2-CD1 3.77Å; H9-F11 AromaticContact NE2-CE1 3.44Å; H9-F11 WeakPolarHBondContact NE2-CE1 3.18Å; H9-F11 AromaticContact NE2-CZ 3.98Å; H9-Q47 VanDerWaalsContact CE1-CD 3.49Å; H9-Q47 PolarHBondContact CE1-NE2 3.38Å; H9-Q47 PolarHBondContact NE2-NE2 3.06Å; H9-I697 HydrophobicContact CB-CD1 4.36Å; H9-I697 PolarHBondContact N-O 3.22Å; H9-I697 PolarHBondContact O-N 2.91Å
10I94.9Very high85.1Confident0 Ų031.7 Ų31.70%020%0.201CC..EExtended strand (participates in β ladder)trans-129.9126.1176-56.6-179.1000109.1L7 C33 N36 I38 Q47 F49 I695 I696L7-I10 HydrophobicContact CD1-CD1 4.32Å; L7-I10 HydrophobicContact CD2-CD1 4.13Å; L7-I10 HydrophobicContact CD2-CG1 4.39Å; I10-C33 HydrophobicContact CG2-CB 3.97Å; I10-C33 WeakPolarHBondContact CG2-SG 3.5Å; I10-N36 HydrophobicContact CD1-CB 4.04Å; I10-I38 HydrophobicContact CB-CD1 3.74Å; I10-I38 HydrophobicContact CD1-CD1 4.34Å; I10-I38 HydrophobicContact CD1-CG1 4.42Å; I10-I38 HydrophobicContact CG2-CD1 3.84Å; I10-Q47 PolarHBondContact O-NE2 3.49Å; I10-Q47 PolarHBondContact O-OE1 3.12Å; I10-F49 HydrophobicContact CB-CE1 4.21Å; I10-F49 HydrophobicContact CD1-CD1 3.73Å; I10-F49 HydrophobicContact CD1-CE1 3.67Å; I10-F49 HydrophobicContact CG1-CD1 4.24Å; I10-F49 HydrophobicContact CG1-CE1 3.65Å; I10-F49 HydrophobicContact CG1-CZ 4.24Å; I10-I695 WeakPolarHBondContact CA-O 3.38Å; I10-I696 HydrophobicContact CD1-CD1 4.41Å; I10-I696 HydrophobicContact CD1-CG1 4.37Å; I10-I696 HydrophobicContact CG1-CG1 4.04Å; I10-I696 HydrophobicContact CG1-CG2 4.12Å; I10-I696 HydrophobicContact CG2-CG1 4.03Å
11F94.3Very high85.6Confident3 Ų330.2 Ų30.21%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-98.6128.8167.3-55.9-73.5000109.4H9 F420 W449 N454 S694 I695 I697H9-F11 AromaticContact CD2-CD1 3.83Å; H9-F11 AromaticContact CD2-CE1 3.51Å; H9-F11 AromaticContact CD2-CE2 3.97Å; H9-F11 AromaticContact CD2-CZ 3.61Å; H9-F11 AromaticContact NE2-CD1 3.77Å; H9-F11 AromaticContact NE2-CE1 3.44Å; H9-F11 WeakPolarHBondContact NE2-CE1 3.18Å; H9-F11 AromaticContact NE2-CZ 3.98Å; F11-F420 HydrophobicContact CB-CD1 4.1Å; F11-F420 HydrophobicContact CB-CE1 4.13Å; F11-F420 HydrophobicContact CD1-CE1 4.35Å; F11-W449 HydrophobicContact CB-CH2 4.41Å; F11-W449 HydrophobicContact CB-CZ3 4.19Å; F11-W449 AromaticContact CD1-CE3 3.95Å; F11-W449 HydrophobicContact CD1-CE3 3.95Å; F11-W449 AromaticContact CD1-CZ3 3.76Å; F11-W449 HydrophobicContact CD1-CZ3 3.76Å; F11-W449 HydrophobicContact CD2-CE3 4.15Å; F11-W449 HydrophobicContact CD2-CZ3 4.49Å; F11-W449 HydrophobicContact CE1-CE3 4.02Å; F11-W449 HydrophobicContact CE1-CZ3 4.22Å; F11-W449 HydrophobicContact CE2-CE3 4.19Å; F11-W449 HydrophobicContact CG-CE3 4.01Å; F11-W449 AromaticContact CG-CZ3 3.91Å; F11-W449 HydrophobicContact CG-CZ3 3.91Å; F11-W449 HydrophobicContact CZ-CE3 4.12Å; F11-N454 HydrophobicContact CE1-CB 4.48Å; F11-N454 WeakPolarHBondContact CE1-O 3.39Å; F11-N454 HydrophobicContact CZ-CB 4.06Å; F11-S694 CarbonylContact O-C 3.56Å; F11-S694 WeakPolarHBondContact O-CA 2.77Å; F11-S694 VanDerWaalsContact O-CB 3.26Å; F11-S694 WeakPolarHBondContact O-CB 3.22Å; F11-I695 HydrophobicContact CB-CB 4.19Å; F11-I695 HydrophobicContact CB-CD1 4.44Å; F11-I695 HydrophobicContact CD2-CB 4.06Å; F11-I695 HydrophobicContact CD2-CD1 4.43Å; F11-I695 HydrophobicContact CD2-CG2 4.3Å; F11-I695 PolarHBondContact N-O 3.04Å; F11-I695 PolarHBondContact O-N 3.46Å; F11-I697 HydrophobicContact CE2-CD1 3.76Å; F11-I697 HydrophobicContact CZ-CD1 4.48Å
12G92.4Very high88Confident2 Ų223.7 Ų23.72%0.02116%0.16CC..  trans137160.817900000112.9Y31 C33 F420G12-Y31 WeakPolarHBondContact O-CE2 3.38Å; G12-C33 VanDerWaalsContact CA-SG 3.55Å; G12-C33 WeakPolarHBondContact O-CB 3.29Å; G12-C33 PolarHBondContact O-SG 3.03Å; G12-C33 VanDerWaalsContact O-SG 3.36Å; G12-F420 VanDerWaalsContact C-CD2 3.43Å; G12-F420 VanDerWaalsContact CA-CG 3.46Å; G12-F420 VanDerWaalsContact N-CE1 3.26Å
13Y93.1Very high89.9Confident3 Ų322.1 Ų22.11%0.01215%0.147CC..  trans-139.8137.2169.3156.8-111.2000108.4T15 S20 I21 Y31 P32 A367 H371 L373Y13-T15 HydrophobicContact CD1-CG2 4.34Å; Y13-T15 HydrophobicContact CE1-CG2 3.86Å; Y13-S20 WeakPolarHBondContact OH-CB 3.42Å; Y13-S20 PolarHBondContact OH-OG 3.42Å; Y13-I21 HydrophobicContact CE2-CG1 4.35Å; Y13-Y31 HydrophobicContact CD2-CD2 4.05Å; Y13-Y31 HydrophobicContact CD2-CG 4.45Å; Y13-P32 HydrophobicContact CE2-CG 4.41Å; Y13-A367 HydrophobicContact CE1-CB 4.23Å; Y13-H371 PolarHBondContact O-ND1 2.8Å; Y13-L373 HydrophobicContact CD1-CD2 3.64Å; Y13-L373 HydrophobicContact CD1-CG 4.21Å; Y13-L373 HydrophobicContact CD2-CD2 3.81Å; Y13-L373 HydrophobicContact CD2-CG 4.4Å; Y13-L373 HydrophobicContact CE1-CD2 3.94Å; Y13-L373 HydrophobicContact CE2-CD2 4.09Å; Y13-L373 HydrophobicContact CG-CD1 4.38Å; Y13-L373 HydrophobicContact CG-CD2 3.59Å; Y13-L373 HydrophobicContact CG-CG 3.94Å
14R91.7Very high91.3Very high46 Ų4623.5 Ų23.517%0.17415%0.153CC..  trans-97.5118.3-176.3-178.4172.5174.4169.410.2111.4I17 P32 G34 C671R14-I17 HydrophobicContact CB-CD1 4.17Å; R14-I17 HydrophobicContact CG-CD1 3.74Å; R14-P32 HydrophobicContact CB-CB 4.28Å; R14-P32 HydrophobicContact CB-CG 4.3Å; R14-P32 PolarHBondContact N-O 3.22Å; R14-G34 WeakPolarHBondContact CD-O 3.09Å; R14-G34 PolarHBondContact NH1-O 3.34Å; R14-C671 PolarHBondContact NH1-SG 2.83Å
15T89.7Confident91.9Very high33 Ų3324.2 Ų24.220%0.20216%0.155CC..  trans-80.4170.6175.460.10000112Y13 I17 T368 H371Y13-T15 HydrophobicContact CD1-CG2 4.34Å; Y13-T15 HydrophobicContact CE1-CG2 3.86Å; T15-I17 PolarHBondContact O-N 2.98Å; T15-T368 WeakPolarHBondContact CG2-O 3.46Å; T15-H371 HydrophobicContact CG2-CB 4.42Å; T15-H371 PolarHBondContact OG1-CE1 3.37Å; T15-H371 PolarHBondContact OG1-NE2 2.85Å
16G87.6Confident92.1Very high79 Ų7927 Ų2781%0.81417%0.169SC*.SBendtrans81.27.8176.500000115.7
17I91.7Very high92.1Very high12 Ų1228.6 Ų28.66%0.06217%0.172CC..  trans-103.4126.9179.8-67.6165.5000109.7R14 T15 S20 P32 M59 T60 L62R14-I17 HydrophobicContact CB-CD1 4.17Å; R14-I17 HydrophobicContact CG-CD1 3.74Å; T15-I17 PolarHBondContact O-N 2.98Å; I17-S20 VanDerWaalsContact O-CB 3.3Å; I17-S20 WeakPolarHBondContact O-CB 3.26Å; I17-S20 PolarHBondContact O-N 2.79Å; I17-P32 HydrophobicContact CB-CG 4.33Å; I17-P32 HydrophobicContact CD1-CB 3.54Å; I17-P32 HydrophobicContact CD1-CG 3.39Å; I17-P32 HydrophobicContact CG1-CG 4.43Å; I17-P32 HydrophobicContact CG2-CG 4.36Å; I17-M59 HydrophobicContact CD1-CB 3.67Å; I17-M59 HydrophobicContact CG1-CB 4.28Å; I17-M59 WeakPolarHBondContact CG1-O 3.34Å; I17-T60 WeakPolarHBondContact CA-O 3.45Å; I17-L62 HydrophobicContact CG2-CB 4.44Å
18S92.1Very high92.2Very high30 Ų3027.6 Ų27.621%0.2117%0.167CC..BIsolated β-bridgetrans-70.3130.6176.3-170.40000110.5S20 T60 A61 L62 V108 S109S18-S20 PolarHBondContact O-N 2.97Å; S18-T60 PolarHBondContact N-O 3.29Å; S18-A61 CarbonylContact O-C 3.55Å; S18-A61 VanDerWaalsContact O-CA 3.24Å; S18-A61 WeakPolarHBondContact O-CA 3.45Å; S18-L62 PolarHBondContact O-N 3.19Å; S18-V108 WeakPolarHBondContact CB-O 3.49Å; S18-V108 PolarHBondContact OG-O 3.08Å; S18-S109 PolarHBondContact OG-OG 3.44Å
19G90Very high92.4Very high24 Ų2425 Ų2525%0.24716%0.155CC..THydrogen-bonded Turntrans68.121.5-175.700000114.4I21 Q354G19-I21 PolarHBondContact O-N 3.05Å; G19-Q354 VanDerWaalsContact C-OE1 3.25Å
20S91Very high92.5Very high2 Ų224 Ų241%0.01415%0.151CC..  trans-46.3-26-176.5590000117.4Y13 I17 S18 Y31 P32 Q354Y13-S20 WeakPolarHBondContact OH-CB 3.42Å; Y13-S20 PolarHBondContact OH-OG 3.42Å; I17-S20 VanDerWaalsContact O-CB 3.3Å; I17-S20 WeakPolarHBondContact O-CB 3.26Å; I17-S20 PolarHBondContact O-N 2.79Å; S18-S20 PolarHBondContact O-N 2.97Å; S20-Y31 WeakPolarHBondContact O-CA 3.3Å; S20-P32 WeakPolarHBondContact O-CD 3.16Å; S20-Q354 PolarHBondContact OG-OE1 3Å
21I93.8Very high92.5Very high1 Ų124.1 Ų24.11%0.00515%0.151CC..  trans-121.4131.9176.3-55.1-175.2000110.1Y13 G19 V30 Q354 Q356 I365 A367 L373Y13-I21 HydrophobicContact CE2-CG1 4.35Å; G19-I21 PolarHBondContact O-N 3.05Å; I21-V30 WeakPolarHBondContact CA-O 3.43Å; I21-Q354 PolarHBondContact O-NE2 3.29Å; I21-Q356 HydrophobicContact CG2-CB 4.23Å; I21-Q356 HydrophobicContact CG2-CG 4.38Å; I21-Q356 PolarHBondContact O-OE1 3.39Å; I21-I365 HydrophobicContact CD1-CG2 3.8Å; I21-I365 HydrophobicContact CG2-CG2 4.1Å; I21-A367 HydrophobicContact CD1-CB 3.44Å; I21-A367 VanDerWaalsContact CD1-CB 3.44Å; I21-A367 HydrophobicContact CG1-CB 4.12Å; I21-L373 HydrophobicContact CD1-CD2 3.37Å; I21-L373 HydrophobicContact CG1-CD2 4.31Å
22V94.6Very high92.6Very high9 Ų924 Ų246%0.05515%0.151CC..EExtended strand (participates in β ladder)trans-139.5146170.9-65.60000110.5I29 V30 L62 I64V22-I29 CarbonylContact O-C 3.55Å; V22-V30 HydrophobicContact CG2-CB 3.81Å; V22-V30 HydrophobicContact CG2-CG2 4.27Å; V22-V30 PolarHBondContact N-O 3.47Å; V22-V30 VanDerWaalsContact N-O 3.13Å; V22-V30 PolarHBondContact O-N 3Å; V22-L62 HydrophobicContact CG2-CD2 4.2Å; V22-I64 HydrophobicContact CB-CB 4.17Å; V22-I64 HydrophobicContact CB-CG2 3.9Å; V22-I64 HydrophobicContact CG1-CB 4.26Å; V22-I64 HydrophobicContact CG1-CG2 3.92Å; V22-I64 HydrophobicContact CG2-CB 4.09Å; V22-I64 HydrophobicContact CG2-CD1 4.39Å; V22-I64 HydrophobicContact CG2-CG2 4.39Å
23F94.7Very high92.6Very high2 Ų224 Ų241%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-84.1132.7167.3-81.3-84.6000110.3D25 I29 L42 I64 R68 Q356 I357 N358 L363 I365F23-D25 WeakPolarHBondContact CB-O 3.42Å; F23-D25 VanDerWaalsContact CD1-O 3.28Å; F23-D25 WeakPolarHBondContact CD1-O 3.22Å; F23-I29 HydrophobicContact CD1-CG2 3.57Å; F23-I29 HydrophobicContact CE1-CG2 3.39Å; F23-I29 HydrophobicContact CG-CG2 4.29Å; F23-I29 HydrophobicContact CZ-CG2 3.96Å; F23-L42 HydrophobicContact CE1-CD1 4.22Å; F23-I64 WeakPolarHBondContact O-CD1 3.21Å; F23-R68 PolarHBondContact O-NH1 3Å; F23-Q356 HydrophobicContact CD2-CG 3.72Å; F23-Q356 HydrophobicContact CE2-CG 4.09Å; F23-I357 VanDerWaalsContact CD2-C 3.48Å; F23-I357 VanDerWaalsContact CD2-O 3.25Å; F23-I357 WeakPolarHBondContact CD2-O 3.26Å; F23-I357 VanDerWaalsContact CE2-C 3.49Å; F23-N358 HydrophobicContact CD1-CB 3.79Å; F23-N358 VanDerWaalsContact CD2-CA 3.47Å; F23-N358 HydrophobicContact CD2-CB 3.9Å; F23-N358 HydrophobicContact CE1-CB 3.62Å; F23-N358 HydrophobicContact CE2-CB 3.76Å; F23-N358 VanDerWaalsContact CE2-N 3.34Å; F23-N358 HydrophobicContact CG-CB 3.92Å; F23-N358 HydrophobicContact CZ-CB 3.6Å; F23-L363 HydrophobicContact CE1-CD2 4.21Å; F23-L363 HydrophobicContact CZ-CD2 4.08Å; F23-L363 HydrophobicContact CZ-CG 4.47Å; F23-I365 HydrophobicContact CE1-CD1 3.96Å; F23-I365 HydrophobicContact CE2-CB 4.45Å; F23-I365 HydrophobicContact CE2-CD1 4Å; F23-I365 HydrophobicContact CE2-CG1 4.22Å; F23-I365 HydrophobicContact CZ-CB 4.48Å; F23-I365 HydrophobicContact CZ-CD1 3.35Å; F23-I365 HydrophobicContact CZ-CG1 3.77Å
24L92.7Very high92.5Very high31 Ų3123.9 Ų23.916%0.16215%0.15CC..SBendtrans-83-46.3169.1179.861000110.9T28 V30 L39 I64 R68 V88L24-T28 HydrophobicContact CB-CG2 4.32Å; L24-T28 WeakPolarHBondContact CB-O 3.41Å; L24-T28 HydrophobicContact CD2-CG2 4.13Å; L24-T28 PolarHBondContact N-O 3.21Å; L24-V30 HydrophobicContact CB-CG2 4.23Å; L24-L39 HydrophobicContact CD2-CD2 4.23Å; L24-I64 HydrophobicContact CD1-CD1 4.09Å; L24-R68 HydrophobicContact CD1-CB 4.38Å; L24-R68 WeakPolarHBondContact CD1-O 3.41Å; L24-R68 WeakPolarHBondContact O-CB 3.41Å; L24-R68 VanDerWaalsContact O-CD 3.22Å; L24-R68 WeakPolarHBondContact O-CD 3.49Å; L24-R68 WeakPolarHBondContact O-CG 3.49Å; L24-R68 PolarHBondContact O-NH1 2.91Å; L24-V88 HydrophobicContact CD1-CB 4.17Å; L24-V88 HydrophobicContact CD1-CG1 3.69Å; L24-V88 HydrophobicContact CD1-CG2 4.4Å; L24-V88 HydrophobicContact CD2-CG1 3.63Å; L24-V88 HydrophobicContact CG-CG1 4.31Å
25D91.2Very high92.6Very high63 Ų6322.3 Ų22.334%0.33715%0.147SC..SBendtrans-139.1-165.5171.952.757.7000108.3F23 Q27 T28F23-D25 WeakPolarHBondContact CB-O 3.42Å; F23-D25 VanDerWaalsContact CD1-O 3.28Å; F23-D25 WeakPolarHBondContact CD1-O 3.22Å; D25-Q27 VanDerWaalsContact C-N 3.26Å; D25-Q27 PolarHBondContact O-N 3.48Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.43Å; D25-Q27 PolarHBondContact OD1-N 3.18Å; D25-T28 VanDerWaalsContact OD1-CB 3.26Å; D25-T28 WeakPolarHBondContact OD1-CB 3.08Å; D25-T28 PolarHBondContact OD1-N 3.19Å; D25-T28 PolarHBondContact OD1-OG1 3Å; D25-T28 WeakPolarHBondContact OD2-CB 3.15Å; D25-T28 PolarHBondContact OD2-OG1 3.41Å; D25-T28 VanDerWaalsContact OD2-OG1 3.06Å
26D90.8Very high92.7Very high66 Ų6620.8 Ų20.835%0.35314%0.137SC..SBendtrans-69.3-20.8178.9-72.7-64.1000114.3N358 P359 S360D26-N358 PolarHBondContact OD1-ND2 3.3Å; D26-P359 WeakPolarHBondContact OD1-CD 3.45Å; D26-P359 VanDerWaalsContact OD1-CG 3.24Å; D26-P359 WeakPolarHBondContact OD1-CG 3.26Å; D26-S360 VanDerWaalsContact OD1-CB 3.24Å; D26-S360 WeakPolarHBondContact OD1-CB 3.45Å; D26-S360 PolarHBondContact OD1-N 3.21Å; D26-S360 PolarHBondContact OD1-OG 3.23Å
27Q91.1Very high93.1Very high82 Ų8217 Ų1738%0.38310%0.099SC..SBendtrans-114.2-19.1-172.7-59.3-175.4-23.600113.5D25 L42 E43D25-Q27 VanDerWaalsContact C-N 3.26Å; D25-Q27 PolarHBondContact O-N 3.48Å; D25-Q27 WeakPolarHBondContact OD1-CA 3.43Å; D25-Q27 PolarHBondContact OD1-N 3.18Å; Q27-L42 WeakPolarHBondContact O-CB 3.34Å; Q27-L42 WeakPolarHBondContact O-CG 3.41Å; Q27-L42 PolarHBondContact O-N 2.93Å; Q27-E43 PolarHBondContact NE2-OE2 3.21Å; Q27-E43 PolarHBondContact OE1-OE2 2.89Å
28T94.4Very high93.2Very high17 Ų1716.5 Ų16.510%0.10410%0.096CC..EExtended strand (participates in β ladder)trans-112.9118.7-171.3-49.30000110.3L24 D25 L39 Y40 N41L24-T28 HydrophobicContact CB-CG2 4.32Å; L24-T28 WeakPolarHBondContact CB-O 3.41Å; L24-T28 HydrophobicContact CD2-CG2 4.13Å; L24-T28 PolarHBondContact N-O 3.21Å; D25-T28 VanDerWaalsContact OD1-CB 3.26Å; D25-T28 WeakPolarHBondContact OD1-CB 3.08Å; D25-T28 PolarHBondContact OD1-N 3.19Å; D25-T28 PolarHBondContact OD1-OG1 3Å; D25-T28 WeakPolarHBondContact OD2-CB 3.15Å; D25-T28 PolarHBondContact OD2-OG1 3.41Å; D25-T28 VanDerWaalsContact OD2-OG1 3.06Å; T28-L39 HydrophobicContact CG2-CB 4.43Å; T28-Y40 WeakPolarHBondContact CA-O 3.33Å; T28-N41 PolarHBondContact OG1-ND2 3.08Å; T28-N41 VanDerWaalsContact OG1-ND2 3.08Å
29I95.4Very high93.4Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-104153.9177.963.9166.1000110.2V22 F23 Y31 L39 Y40 L42 I365 V416V22-I29 CarbonylContact O-C 3.55Å; F23-I29 HydrophobicContact CD1-CG2 3.57Å; F23-I29 HydrophobicContact CE1-CG2 3.39Å; F23-I29 HydrophobicContact CG-CG2 4.29Å; F23-I29 HydrophobicContact CZ-CG2 3.96Å; I29-Y31 HydrophobicContact CD1-CD1 3.77Å; I29-Y31 HydrophobicContact CD1-CE1 3.95Å; I29-Y31 HydrophobicContact CG1-CD1 4.09Å; I29-Y31 HydrophobicContact CG1-CE1 4.3Å; I29-L39 CarbonylContact O-C 3.56Å; I29-L39 WeakPolarHBondContact O-CA 3.35Å; I29-Y40 HydrophobicContact CD1-CD1 4.12Å; I29-Y40 HydrophobicContact CG1-CD1 4.14Å; I29-Y40 WeakPolarHBondContact CG1-O 3.1Å; I29-Y40 PolarHBondContact N-O 2.91Å; I29-Y40 PolarHBondContact O-N 3.3Å; I29-L42 HydrophobicContact CD1-CD2 4.21Å; I29-L42 HydrophobicContact CG1-CD2 4.41Å; I29-L42 HydrophobicContact CG2-CD1 4.09Å; I29-L42 HydrophobicContact CG2-CG 4.38Å; I29-I365 HydrophobicContact CD1-CD1 4.25Å; I29-I365 HydrophobicContact CG2-CD1 3.46Å; I29-I365 VanDerWaalsContact CG2-CD1 3.46Å; I29-V416 HydrophobicContact CD1-CG1 3.81Å
30V95.9Very high93.6Very high0 Ų015 Ų150%08%0.079CC..EExtended strand (participates in β ladder)trans-123.7126.3173.5-164.70000109.6I21 V22 L24 L37 I38 L39 I71I21-V30 WeakPolarHBondContact CA-O 3.43Å; V22-V30 HydrophobicContact CG2-CB 3.81Å; V22-V30 HydrophobicContact CG2-CG2 4.27Å; V22-V30 PolarHBondContact N-O 3.47Å; V22-V30 VanDerWaalsContact N-O 3.13Å; V22-V30 PolarHBondContact O-N 3Å; L24-V30 HydrophobicContact CB-CG2 4.23Å; V30-L37 HydrophobicContact CG1-CB 4.38Å; V30-I38 VanDerWaalsContact CA-O 3.26Å; V30-I38 WeakPolarHBondContact CA-O 3.5Å; V30-L39 HydrophobicContact CG1-CD1 4.19Å; V30-L39 HydrophobicContact CG1-CG 4.29Å; V30-L39 HydrophobicContact CG2-CG 4Å; V30-I71 HydrophobicContact CB-CD1 4.29Å; V30-I71 HydrophobicContact CG1-CD1 4.05Å; V30-I71 HydrophobicContact CG2-CD1 3.96Å
31Y95.3Very high93.8Very high1 Ų115.7 Ų15.70%0.0048%0.083CC..EExtended strand (participates in β ladder)trans-145152.2178.665.1-93.3000112.2G12 Y13 S20 I29 I38 Y40 L373G12-Y31 WeakPolarHBondContact O-CE2 3.38Å; Y13-Y31 HydrophobicContact CD2-CD2 4.05Å; Y13-Y31 HydrophobicContact CD2-CG 4.45Å; S20-Y31 WeakPolarHBondContact O-CA 3.3Å; I29-Y31 HydrophobicContact CD1-CD1 3.77Å; I29-Y31 HydrophobicContact CD1-CE1 3.95Å; I29-Y31 HydrophobicContact CG1-CD1 4.09Å; I29-Y31 HydrophobicContact CG1-CE1 4.3Å; Y31-I38 HydrophobicContact CD2-CB 4.41Å; Y31-I38 HydrophobicContact CD2-CD1 4.44Å; Y31-I38 HydrophobicContact CE1-CB 4.35Å; Y31-I38 HydrophobicContact CE1-CG2 4.14Å; Y31-I38 HydrophobicContact CE2-CB 4.06Å; Y31-I38 HydrophobicContact CE2-CD1 3.65Å; Y31-I38 HydrophobicContact CE2-CG1 4.37Å; Y31-I38 HydrophobicContact CE2-CG2 4.4Å; Y31-I38 PolarHBondContact N-O 3.34Å; Y31-I38 PolarHBondContact O-N 3.05Å; Y31-Y40 HydrophobicContact CE1-CG 4.36Å; Y31-L373 HydrophobicContact CD1-CD1 3.8Å; Y31-L373 HydrophobicContact CD2-CD1 4.05Å; Y31-L373 HydrophobicContact CE1-CD1 3.94Å; Y31-L373 HydrophobicContact CE2-CD1 4.18Å; Y31-L373 HydrophobicContact CG-CD1 3.86Å
32P94.8Very high93.6Very high0 Ų017.3 Ų17.30%09%0.091CC..EExtended strand (participates in β ladder)trans-82.1145.3177.632.8-35.7000112.1Y13 R14 I17 S20 N36 L37 M59Y13-P32 HydrophobicContact CE2-CG 4.41Å; R14-P32 HydrophobicContact CB-CB 4.28Å; R14-P32 HydrophobicContact CB-CG 4.3Å; R14-P32 PolarHBondContact N-O 3.22Å; I17-P32 HydrophobicContact CB-CG 4.33Å; I17-P32 HydrophobicContact CD1-CB 3.54Å; I17-P32 HydrophobicContact CD1-CG 3.39Å; I17-P32 HydrophobicContact CG1-CG 4.43Å; I17-P32 HydrophobicContact CG2-CG 4.36Å; S20-P32 WeakPolarHBondContact O-CD 3.16Å; P32-N36 CarbonylContact C-O 3.51Å; P32-N36 WeakPolarHBondContact CA-O 3.24Å; P32-L37 HydrophobicContact CB-CD2 4.06Å; P32-M59 HydrophobicContact CB-SD 3.89Å
33C94Very high93.3Very high2 Ų223.5 Ų23.51%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-147131.7165.5-173.10000109.8I10 G12 S35 N36 I38 S694I10-C33 HydrophobicContact CG2-CB 3.97Å; I10-C33 WeakPolarHBondContact CG2-SG 3.5Å; G12-C33 VanDerWaalsContact CA-SG 3.55Å; G12-C33 WeakPolarHBondContact O-CB 3.29Å; G12-C33 PolarHBondContact O-SG 3.03Å; G12-C33 VanDerWaalsContact O-SG 3.36Å; C33-S35 PolarHBondContact O-N 3.45Å; C33-S35 VanDerWaalsContact O-N 3.16Å; C33-N36 PolarHBondContact N-O 3.07Å; C33-N36 PolarHBondContact O-N 3.21Å; C33-N36 VanDerWaalsContact O-O 3.05Å; C33-I38 HydrophobicContact CB-CD1 3.52Å; C33-I38 HydrophobicContact CB-CG1 4.36Å; C33-S694 WeakPolarHBondContact SG-CB 3.34Å
34G91.1Very high93.1Very high1 Ų129.7 Ų29.71%0.0115%0.148CC..THydrogen-bonded Turntrans54.4-119-171.400000111.7R14 D692R14-G34 WeakPolarHBondContact CD-O 3.09Å; R14-G34 PolarHBondContact NH1-O 3.34Å; G34-D692 WeakPolarHBondContact CA-OD2 3.34Å
35S91.8Very high92.9Very high14 Ų1434.2 Ų34.210%0.09817%0.167CC..THydrogen-bonded Turntrans-107.820.3174.3-610000113.5C33 G52 M59 G669 H670 C671C33-S35 PolarHBondContact O-N 3.45Å; C33-S35 VanDerWaalsContact O-N 3.16Å; S35-G52 PolarHBondContact O-N 2.87Å; S35-M59 VanDerWaalsContact C-CE 3.43Å; S35-M59 VanDerWaalsContact O-CE 3.28Å; S35-M59 WeakPolarHBondContact O-CE 3.36Å; S35-G669 PolarHBondContact N-O 3.49Å; S35-H670 WeakPolarHBondContact CB-O 3.38Å; S35-H670 PolarHBondContact OG-O 3.25Å; S35-C671 WeakPolarHBondContact OG-CA 3.44Å; S35-C671 WeakPolarHBondContact OG-CB 3.2Å
36N93.6Very high92.9Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-123.2143.4-177-72-77.2000111.9L7 I10 P32 C33 A51 I668 G669L7-N36 WeakPolarHBondContact CD1-OD1 3.5Å; I10-N36 HydrophobicContact CD1-CB 4.04Å; P32-N36 CarbonylContact C-O 3.51Å; P32-N36 WeakPolarHBondContact CA-O 3.24Å; C33-N36 PolarHBondContact N-O 3.07Å; C33-N36 PolarHBondContact O-N 3.21Å; C33-N36 VanDerWaalsContact O-O 3.05Å; N36-A51 VanDerWaalsContact OD1-CA 3.32Å; N36-A51 WeakPolarHBondContact OD1-CA 3.35Å; N36-I668 PolarHBondContact ND2-O 2.96Å; N36-I668 VanDerWaalsContact ND2-O 3.16Å; N36-G669 WeakPolarHBondContact ND2-CA 3.38Å; N36-G669 PolarHBondContact ND2-O 3.32Å
37L94.3Very high93Very high1 Ų132.3 Ų32.31%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-90.9125.4162.1-71.8172.3000108.8V30 P32 F49 I50 M59 L62 I71 L73V30-L37 HydrophobicContact CG1-CB 4.38Å; P32-L37 HydrophobicContact CB-CD2 4.06Å; L37-F49 WeakPolarHBondContact O-CA 2.93Å; L37-I50 HydrophobicContact CB-CB 4.23Å; L37-I50 PolarHBondContact N-O 2.97Å; L37-I50 PolarHBondContact O-N 3.46Å; L37-M59 HydrophobicContact CD2-SD 4.12Å; L37-M59 HydrophobicContact CG-CE 4.08Å; L37-M59 HydrophobicContact CG-SD 4.17Å; L37-L62 HydrophobicContact CD1-CD1 3.71Å; L37-L62 HydrophobicContact CD2-CD1 3.78Å; L37-L62 HydrophobicContact CD2-CD2 4.01Å; L37-L62 HydrophobicContact CG-CD1 4.41Å; L37-I71 HydrophobicContact CD1-CG2 4.11Å; L37-L73 HydrophobicContact CD1-CB 4.27Å; L37-L73 HydrophobicContact CD1-CD1 4.12Å; L37-L73 HydrophobicContact CD1-CD2 4.13Å; L37-L73 HydrophobicContact CD1-CG 4.4Å; L37-L73 HydrophobicContact CD2-CD1 4.29Å; L37-L73 HydrophobicContact CG-CD1 4.34Å; L37-L73 HydrophobicContact CG-CD2 4.47Å
38I95.1Very high93.2Very high0 Ų034.4 Ų34.40%017%0.166CC..EExtended strand (participates in β ladder)trans-99.2123.8177.3-59.4171.7000108I10 V30 Y31 C33 Q47 K48 F49I10-I38 HydrophobicContact CB-CD1 3.74Å; I10-I38 HydrophobicContact CD1-CD1 4.34Å; I10-I38 HydrophobicContact CD1-CG1 4.42Å; I10-I38 HydrophobicContact CG2-CD1 3.84Å; V30-I38 VanDerWaalsContact CA-O 3.26Å; V30-I38 WeakPolarHBondContact CA-O 3.5Å; Y31-I38 HydrophobicContact CD2-CB 4.41Å; Y31-I38 HydrophobicContact CD2-CD1 4.44Å; Y31-I38 HydrophobicContact CE1-CB 4.35Å; Y31-I38 HydrophobicContact CE1-CG2 4.14Å; Y31-I38 HydrophobicContact CE2-CB 4.06Å; Y31-I38 HydrophobicContact CE2-CD1 3.65Å; Y31-I38 HydrophobicContact CE2-CG1 4.37Å; Y31-I38 HydrophobicContact CE2-CG2 4.4Å; Y31-I38 PolarHBondContact N-O 3.34Å; Y31-I38 PolarHBondContact O-N 3.05Å; C33-I38 HydrophobicContact CB-CD1 3.52Å; C33-I38 HydrophobicContact CB-CG1 4.36Å; I38-Q47 HydrophobicContact CG2-CB 4.1Å; I38-Q47 HydrophobicContact CG2-CG 3.76Å; I38-K48 WeakPolarHBondContact CA-O 3.48Å; I38-F49 HydrophobicContact CG1-CD1 4.03Å; I38-F49 HydrophobicContact CG1-CE1 4.1Å; I38-F49 HydrophobicContact CG2-CE1 4.48Å
39L95.7Very high93.1Very high10 Ų1035.5 Ų35.55%0.05217%0.169CC..EExtended strand (participates in β ladder)trans-93.5110.2163.1-65.967.4000106.5L24 T28 I29 V30 Q47 K48 I50 V88 L91L24-L39 HydrophobicContact CD2-CD2 4.23Å; T28-L39 HydrophobicContact CG2-CB 4.43Å; I29-L39 CarbonylContact O-C 3.56Å; I29-L39 WeakPolarHBondContact O-CA 3.35Å; V30-L39 HydrophobicContact CG1-CD1 4.19Å; V30-L39 HydrophobicContact CG1-CG 4.29Å; V30-L39 HydrophobicContact CG2-CG 4Å; L39-Q47 CarbonylContact O-C 3.56Å; L39-Q47 WeakPolarHBondContact O-CA 3.47Å; L39-K48 HydrophobicContact CB-CB 4.25Å; L39-K48 PolarHBondContact N-O 3.47Å; L39-K48 PolarHBondContact O-N 2.95Å; L39-I50 HydrophobicContact CD1-CD1 3.95Å; L39-I50 HydrophobicContact CD1-CG1 3.99Å; L39-V88 HydrophobicContact CD2-CG1 3.7Å; L39-L91 HydrophobicContact CD1-CD2 4.23Å; L39-L91 HydrophobicContact CD2-CD2 3.73Å
40Y95.3Very high93Very high13 Ų1335.7 Ų35.75%0.05117%0.17CC..EExtended strand (participates in β ladder)trans-111.6123.9-178.3178.9-115.5000110.2T28 I29 Y31 L42 K45 T46 Q47 V416T28-Y40 WeakPolarHBondContact CA-O 3.33Å; I29-Y40 HydrophobicContact CD1-CD1 4.12Å; I29-Y40 HydrophobicContact CG1-CD1 4.14Å; I29-Y40 WeakPolarHBondContact CG1-O 3.1Å; I29-Y40 PolarHBondContact N-O 2.91Å; I29-Y40 PolarHBondContact O-N 3.3Å; Y31-Y40 HydrophobicContact CE1-CG 4.36Å; Y40-L42 HydrophobicContact CD1-CD2 3.97Å; Y40-L42 HydrophobicContact CE1-CD2 3.91Å; Y40-K45 HydrophobicContact CE2-CB 4.3Å; Y40-T46 WeakPolarHBondContact CA-O 3.46Å; Y40-Q47 HydrophobicContact CD2-CG 3.8Å; Y40-V416 HydrophobicContact CD1-CG1 4.23Å; Y40-V416 HydrophobicContact CE1-CG1 4.01Å
41N93.6Very high92.8Very high17 Ų1737.8 Ų37.89%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-90.9120.4173.2-176.7-84.2000109.6T28 E43 Q44 K45 T46T28-N41 PolarHBondContact OG1-ND2 3.08Å; T28-N41 VanDerWaalsContact OG1-ND2 3.08Å; N41-E43 PolarHBondContact O-N 3.31Å; N41-E43 PolarHBondContact OD1-N 3.45Å; N41-Q44 HydrophobicContact CB-CB 4.43Å; N41-Q44 WeakPolarHBondContact OD1-CB 3.34Å; N41-Q44 WeakPolarHBondContact OD1-CG 3.47Å; N41-Q44 PolarHBondContact OD1-N 3.42Å; N41-K45 WeakPolarHBondContact O-CA 3.4Å; N41-K45 PolarHBondContact O-N 3.24Å; N41-T46 PolarHBondContact N-O 2.95Å
42L91.1Very high92.3Very high34 Ų3438.1 Ų38.118%0.17819%0.191CC..THydrogen-bonded Turntrans-66.7-34.9-172.9-63.2169.8000113F23 Q27 I29 Y40 L363 I365 V416F23-L42 HydrophobicContact CE1-CD1 4.22Å; Q27-L42 WeakPolarHBondContact O-CB 3.34Å; Q27-L42 WeakPolarHBondContact O-CG 3.41Å; Q27-L42 PolarHBondContact O-N 2.93Å; I29-L42 HydrophobicContact CD1-CD2 4.21Å; I29-L42 HydrophobicContact CG1-CD2 4.41Å; I29-L42 HydrophobicContact CG2-CD1 4.09Å; I29-L42 HydrophobicContact CG2-CG 4.38Å; Y40-L42 HydrophobicContact CD1-CD2 3.97Å; Y40-L42 HydrophobicContact CE1-CD2 3.91Å; L42-L363 HydrophobicContact CD1-CD2 3.56Å; L42-I365 HydrophobicContact CD1-CD1 4.49Å; L42-V416 HydrophobicContact CD2-CG1 3.62Å
43E88.2Confident92Very high139 Ų13940 Ų4065%0.6520%0.201SC*.THydrogen-bonded Turntrans-79.6-48.8-179-174.2-179.8-171.100111.5Q27 N41Q27-E43 PolarHBondContact NE2-OE2 3.21Å; Q27-E43 PolarHBondContact OE1-OE2 2.89Å; N41-E43 PolarHBondContact O-N 3.31Å; N41-E43 PolarHBondContact OD1-N 3.45Å
44Q88.8Confident91.2Very high132 Ų13245.7 Ų45.762%0.61723%0.228SC*.THydrogen-bonded Turntrans-82.8-11.9-177.1-60.9-179.62.900113.6N41 T46N41-Q44 HydrophobicContact CB-CB 4.43Å; N41-Q44 WeakPolarHBondContact OD1-CB 3.34Å; N41-Q44 WeakPolarHBondContact OD1-CG 3.47Å; N41-Q44 PolarHBondContact OD1-N 3.42Å; Q44-T46 HydrophobicContact CB-CG2 4.09Å; Q44-T46 PolarHBondContact O-N 2.85Å
45K89.4Confident90.7Very high127 Ų12752.9 Ų52.955%0.55226%0.258SS*.THydrogen-bonded Turntrans52.828.3-171.6-56.9-174.5175.7-175.50114.4Y40 N41Y40-K45 HydrophobicContact CE2-CB 4.3Å; N41-K45 WeakPolarHBondContact O-CA 3.4Å; N41-K45 PolarHBondContact O-N 3.24Å
46T90.9Very high90.4Very high64 Ų6453 Ų5339%0.39326%0.259SS..EExtended strand (participates in β ladder)trans-96.2147-179.357.70000112.1Y40 N41 Q44Y40-T46 WeakPolarHBondContact CA-O 3.46Å; N41-T46 PolarHBondContact N-O 2.95Å; Q44-T46 HydrophobicContact CB-CG2 4.09Å; Q44-T46 PolarHBondContact O-N 2.85Å
47Q94.1Very high90Very high25 Ų2557.5 Ų57.512%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-111.5144.1176.2-68.8-177.5-8.500111.3H9 I10 I38 L39 Y40 F49H9-Q47 VanDerWaalsContact CE1-CD 3.49Å; H9-Q47 PolarHBondContact CE1-NE2 3.38Å; H9-Q47 PolarHBondContact NE2-NE2 3.06Å; I10-Q47 PolarHBondContact O-NE2 3.49Å; I10-Q47 PolarHBondContact O-OE1 3.12Å; I38-Q47 HydrophobicContact CG2-CB 4.1Å; I38-Q47 HydrophobicContact CG2-CG 3.76Å; L39-Q47 CarbonylContact O-C 3.56Å; L39-Q47 WeakPolarHBondContact O-CA 3.47Å; Y40-Q47 HydrophobicContact CD2-CG 3.8Å; Q47-F49 HydrophobicContact CB-CE1 3.89Å; Q47-F49 HydrophobicContact CB-CE2 4.41Å; Q47-F49 HydrophobicContact CB-CZ 3.63Å
48K93.9Very high89.6Confident125 Ų12557.5 Ų57.554%0.54328%0.281SS..EExtended strand (participates in β ladder)trans-128.6151.2162.8-63.3170.4-177.9165.30108.9I38 L39 L91I38-K48 WeakPolarHBondContact CA-O 3.48Å; L39-K48 HydrophobicContact CB-CB 4.25Å; L39-K48 PolarHBondContact N-O 3.47Å; L39-K48 PolarHBondContact O-N 2.95Å; K48-L91 HydrophobicContact CB-CD1 4.22Å; K48-L91 HydrophobicContact CD-CD1 4.47Å
49F93.8Very high89.5Confident40 Ų4057.8 Ų57.818%0.17528%0.282CS..EExtended strand (participates in β ladder)trans-120.3139.9-170.2-48.9-74000112L7 I10 L37 I38 Q47L7-F49 HydrophobicContact CB-CD2 3.51Å; L7-F49 HydrophobicContact CB-CE2 3.7Å; L7-F49 HydrophobicContact CB-CG 4.02Å; L7-F49 HydrophobicContact CB-CZ 4.35Å; L7-F49 HydrophobicContact CD1-CB 3.8Å; L7-F49 HydrophobicContact CD1-CD1 4.27Å; L7-F49 HydrophobicContact CD1-CD2 4.15Å; L7-F49 HydrophobicContact CD1-CG 3.79Å; L7-F49 HydrophobicContact CG-CD2 4.49Å; I10-F49 HydrophobicContact CB-CE1 4.21Å; I10-F49 HydrophobicContact CD1-CD1 3.73Å; I10-F49 HydrophobicContact CD1-CE1 3.67Å; I10-F49 HydrophobicContact CG1-CD1 4.24Å; I10-F49 HydrophobicContact CG1-CE1 3.65Å; I10-F49 HydrophobicContact CG1-CZ 4.24Å; L37-F49 WeakPolarHBondContact O-CA 2.93Å; I38-F49 HydrophobicContact CG1-CD1 4.03Å; I38-F49 HydrophobicContact CG1-CE1 4.1Å; I38-F49 HydrophobicContact CG2-CE1 4.48Å; Q47-F49 HydrophobicContact CB-CE1 3.89Å; Q47-F49 HydrophobicContact CB-CE2 4.41Å; Q47-F49 HydrophobicContact CB-CZ 3.63Å
50I93.3Very high89.4Confident4 Ų458.2 Ų58.22%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-116.9113161.9-59.6175.1000106.9L37 L39 Y86 L91L37-I50 HydrophobicContact CB-CB 4.23Å; L37-I50 PolarHBondContact N-O 2.97Å; L37-I50 PolarHBondContact O-N 3.46Å; L39-I50 HydrophobicContact CD1-CD1 3.95Å; L39-I50 HydrophobicContact CD1-CG1 3.99Å; I50-Y86 HydrophobicContact CG2-CD1 3.35Å; I50-Y86 HydrophobicContact CG2-CD2 4.17Å; I50-Y86 HydrophobicContact CG2-CE1 3.25Å; I50-Y86 HydrophobicContact CG2-CE2 4.09Å; I50-Y86 HydrophobicContact CG2-CG 3.83Å; I50-L91 HydrophobicContact CD1-CD2 3.93Å; I50-L91 HydrophobicContact CG1-CB 4.34Å; I50-L91 HydrophobicContact CG1-CD2 3.79Å
51A90.3Very high89.4Confident45 Ų4557.6 Ų57.637%0.37228%0.283SS..EExtended strand (participates in β ladder)trans-73.2142177.300000111.8N36 Y86 I668N36-A51 VanDerWaalsContact OD1-CA 3.32Å; N36-A51 WeakPolarHBondContact OD1-CA 3.35Å; A51-Y86 PolarHBondContact O-OH 3.35Å; A51-I668 HydrophobicContact CB-CB 4.44Å; A51-I668 HydrophobicContact CB-CD1 4.47Å
52G86.4Confident89.5Confident8 Ų857 Ų578%0.08228%0.28CS..  trans-70.4-166.4168.200000113.1S35 E75 I668S35-G52 PolarHBondContact O-N 2.87Å; G52-E75 WeakPolarHBondContact CA-OE1 3.35Å; G52-I668 WeakPolarHBondContact O-CD1 3.36Å
53L87.1Confident89.8Confident39 Ų3955.9 Ų55.920%0.20428%0.275CS..  trans-92.1137.3179.9-62.4171.6000111.3K55 S56 E75 M77 V82L53-K55 PolarHBondContact O-N 3.21Å; L53-S56 WeakPolarHBondContact O-CB 3.33Å; L53-S56 PolarHBondContact O-N 2.82Å; L53-E75 VanDerWaalsContact CD1-OE2 3.29Å; L53-E75 WeakPolarHBondContact CD1-OE2 3.46Å; L53-E75 VanDerWaalsContact CG-OE2 3.32Å; L53-E75 WeakPolarHBondContact CG-OE2 3.44Å; L53-E75 PolarHBondContact N-OE1 2.8Å; L53-M77 HydrophobicContact CD1-CE 4.35Å; L53-V82 HydrophobicContact CD1-CB 4.38Å; L53-V82 HydrophobicContact CD1-CG1 4.2Å
54E78.5Confident90.1Very high122 Ų12251 Ų5157%0.5725%0.253SS*.THydrogen-bonded Turntrans-53.8-26.5-177.1-62.4170.5175.400114.9I668E54-I668 HydrophobicContact CB-CD1 4.41Å; E54-I668 HydrophobicContact CG-CD1 3.69Å; E54-I668 HydrophobicContact CG-CG1 4.18Å
55K79.6Confident90.4Very high151 Ų15144.7 Ų44.766%0.65722%0.224SC*.THydrogen-bonded Turntrans-105.811.9-178.5-59.8-168.6177.7-1680113.8L53 M77L53-K55 PolarHBondContact O-N 3.21Å; K55-M77 HydrophobicContact CB-CE 4.01Å
56S86Confident90.6Very high17 Ų1742 Ų4212%0.11922%0.219CC..  trans-73.5139.2178.1-171.80000111.6L53 G58 E75 K76L53-S56 WeakPolarHBondContact O-CB 3.33Å; L53-S56 PolarHBondContact O-N 2.82Å; S56-G58 PolarHBondContact OG-N 3.23Å; S56-G58 PolarHBondContact OG-O 3.5Å; S56-E75 WeakPolarHBondContact OG-CB 3.45Å; S56-K76 WeakPolarHBondContact CA-O 3.35Å; S56-K76 PolarHBondContact OG-O 2.97Å
57E84.6Confident90.6Very high94 Ų9443 Ų4344%0.43922%0.222SC..SBendtrans-83.4-2.5165.2-63.1-176.8-177.100112K76E57-K76 HydrophobicContact CB-CB 4.21Å; E57-K76 HydrophobicContact CB-CD 4.06Å; E57-K76 HydrophobicContact CB-CG 4.16Å; E57-K76 PolarHBondContact N-O 3.28Å; E57-K76 WeakPolarHBondContact OE2-CD 3.11Å; E57-K76 WeakPolarHBondContact OE2-CE 3.42Å; E57-K76 IonicContact OE2-NZ 3.16Å; E57-K76 PolarHBondContact OE2-NZ 2.77Å
58G87Confident90.5Very high1 Ų145.5 Ų45.51%0.0123%0.23CC..EExtended strand (participates in β ladder)trans138.1158.6177.400000114.5S56 E75 K76S56-G58 PolarHBondContact OG-N 3.23Å; S56-G58 PolarHBondContact OG-O 3.5Å; G58-E75 WeakPolarHBondContact O-CA 3.38Å; G58-K76 PolarHBondContact O-N 2.95Å
59M93Very high90.5Very high6 Ų645.7 Ų45.73%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-71.5144.7170.8-60.9176.8177.500110.3I17 P32 S35 L37 L73 S74 E75I17-M59 HydrophobicContact CD1-CB 3.67Å; I17-M59 HydrophobicContact CG1-CB 4.28Å; I17-M59 WeakPolarHBondContact CG1-O 3.34Å; P32-M59 HydrophobicContact CB-SD 3.89Å; S35-M59 VanDerWaalsContact C-CE 3.43Å; S35-M59 VanDerWaalsContact O-CE 3.28Å; S35-M59 WeakPolarHBondContact O-CE 3.36Å; L37-M59 HydrophobicContact CD2-SD 4.12Å; L37-M59 HydrophobicContact CG-CE 4.08Å; L37-M59 HydrophobicContact CG-SD 4.17Å; M59-L73 HydrophobicContact CB-CD1 3.97Å; M59-L73 HydrophobicContact CE-CD1 4.38Å; M59-L73 HydrophobicContact CE-CD2 3.64Å; M59-L73 HydrophobicContact CG-CD1 3.72Å; M59-L73 HydrophobicContact CG-CD2 4.09Å; M59-L73 HydrophobicContact CG-CG 4.31Å; M59-L73 HydrophobicContact SD-CD1 3.74Å; M59-L73 HydrophobicContact SD-CD2 4.13Å; M59-S74 WeakPolarHBondContact CA-O 3.38Å; M59-E75 HydrophobicContact CG-CG 4.38Å
60T93.7Very high90.5Very high20 Ų2044.6 Ų44.612%0.12322%0.223CC..EExtended strand (participates in β ladder)trans-127.2-32.6-177.262.10000113.9I17 S18 S74 K76 E106 F107I17-T60 WeakPolarHBondContact CA-O 3.45Å; S18-T60 PolarHBondContact N-O 3.29Å; T60-S74 PolarHBondContact N-O 2.97Å; T60-S74 PolarHBondContact OG1-O 3.26Å; T60-S74 PolarHBondContact OG1-OG 3.36Å; T60-K76 HydrophobicContact CG2-CB 3.94Å; T60-E106 HydrophobicContact CG2-CB 4.09Å; T60-F107 WeakPolarHBondContact CB-O 3.14Å; T60-F107 PolarHBondContact OG1-O 2.63Å
61A94.9Very high90.7Very high0 Ų044.4 Ų44.40%022%0.222CC..EExtended strand (participates in β ladder)trans-152.2155.4175.200000112.2S18 S74 L110S18-A61 CarbonylContact O-C 3.55Å; S18-A61 VanDerWaalsContact O-CA 3.24Å; S18-A61 WeakPolarHBondContact O-CA 3.45Å; A61-S74 WeakPolarHBondContact CB-OG 3.36Å; A61-S74 PolarHBondContact N-OG 3.29Å; A61-S74 PolarHBondContact O-N 3.15Å; A61-S74 PolarHBondContact O-OG 2.85Å; A61-L110 HydrophobicContact CB-CD1 4.22Å; A61-L110 HydrophobicContact CB-CG 3.95Å
62L95.9Very high91Very high4 Ų442.2 Ų42.22%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-136.5140.9-177.5-17470.5000109.3I17 S18 V22 L37 I71 A72 L73I17-L62 HydrophobicContact CG2-CB 4.44Å; S18-L62 PolarHBondContact O-N 3.19Å; V22-L62 HydrophobicContact CG2-CD2 4.2Å; L37-L62 HydrophobicContact CD1-CD1 3.71Å; L37-L62 HydrophobicContact CD2-CD1 3.78Å; L37-L62 HydrophobicContact CD2-CD2 4.01Å; L37-L62 HydrophobicContact CG-CD1 4.41Å; L62-I71 HydrophobicContact CD1-CG2 3.4Å; L62-I71 HydrophobicContact CG-CG2 4.41Å; L62-A72 CarbonylContact C-O 3.59Å; L62-A72 WeakPolarHBondContact CA-O 3.48Å; L62-L73 HydrophobicContact CD1-CB 4.4Å; L62-L73 HydrophobicContact CD1-CD1 4.04Å
63A95.9Very high91.4Very high10 Ų1041.9 Ų41.98%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-144.7139.9169.100000110.8I71 A72 L110 F112A63-I71 CarbonylContact O-C 3.55Å; A63-I71 WeakPolarHBondContact O-CA 3.45Å; A63-A72 PolarHBondContact N-O 3.18Å; A63-A72 PolarHBondContact O-N 3.15Å; A63-L110 HydrophobicContact CB-CB 3.73Å; A63-F112 HydrophobicContact CB-CD2 4.07Å; A63-F112 HydrophobicContact CB-CE2 4.41Å; A63-F112 WeakPolarHBondContact O-CE2 3.28Å
64I95.5Very high91.7Very high36 Ų3640 Ų4019%0.18519%0.19CC..EExtended strand (participates in β ladder)trans-98.6144.9169.8-164.5168.2000110.2V22 F23 L24 R68 I71 F112V22-I64 HydrophobicContact CB-CB 4.17Å; V22-I64 HydrophobicContact CB-CG2 3.9Å; V22-I64 HydrophobicContact CG1-CB 4.26Å; V22-I64 HydrophobicContact CG1-CG2 3.92Å; V22-I64 HydrophobicContact CG2-CB 4.09Å; V22-I64 HydrophobicContact CG2-CD1 4.39Å; V22-I64 HydrophobicContact CG2-CG2 4.39Å; F23-I64 WeakPolarHBondContact O-CD1 3.21Å; L24-I64 HydrophobicContact CD1-CD1 4.09Å; I64-R68 HydrophobicContact CD1-CB 4.38Å; I64-R68 HydrophobicContact CD1-CG 4.16Å; I64-I71 HydrophobicContact CB-CG1 4.24Å; I64-I71 HydrophobicContact CD1-CG1 4.35Å; I64-I71 HydrophobicContact CG1-CG1 3.92Å; I64-F112 VanDerWaalsContact C-CD2 3.45Å; I64-F112 WeakPolarHBondContact O-CD2 3.12Å
65S95.2Very high92.4Very high0 Ų034.3 Ų34.30%016%0.164CC..  trans-72.9144.5172.561.90000110.6N67 R68 R69 Y70S65-N67 WeakPolarHBondContact CB-OD1 3.41Å; S65-N67 PolarHBondContact O-N 2.83Å; S65-N67 VanDerWaalsContact O-N 3.11Å; S65-N67 PolarHBondContact OG-OD1 3.48Å; S65-R68 WeakPolarHBondContact O-CA 3.33Å; S65-R68 PolarHBondContact O-N 3.36Å; S65-R69 PolarHBondContact OG-N 3.35Å; S65-Y70 PolarHBondContact N-O 3.42Å; S65-Y70 PolarHBondContact OG-N 3.21Å; S65-Y70 PolarHBondContact OG-O 3.08Å
66P93Very high93Very high70 Ų7030.2 Ų30.246%0.45515%0.146SC..THydrogen-bonded Turntrans-55.6-30.2179.7-32.538000115R68 S113 S116P66-R68 PolarHBondContact O-N 3.16Å; P66-S113 WeakPolarHBondContact CD-O 3.45Å; P66-S113 WeakPolarHBondContact CG-O 3.1Å; P66-S116 WeakPolarHBondContact CD-OG 3.07Å
67N91.2Very high93.1Very high86 Ų8631 Ų3146%0.4615%0.148SC..THydrogen-bonded Turntrans-77.87.1172.671.24.4000114.7S65 R69 S116S65-N67 WeakPolarHBondContact CB-OD1 3.41Å; S65-N67 PolarHBondContact O-N 2.83Å; S65-N67 VanDerWaalsContact O-N 3.11Å; S65-N67 PolarHBondContact OG-OD1 3.48Å; N67-R69 PolarHBondContact O-N 2.99Å; N67-R69 PolarHBondContact OD1-N 3.07Å; N67-S116 PolarHBondContact N-OG 2.98Å
68R92.3Very high93Very high77 Ų7729.9 Ų29.929%0.29115%0.149SC..SBendtrans55.814.5177.3-70.2152.6176.7-87.5-4.3115.7F23 L24 I64 S65 P66F23-R68 PolarHBondContact O-NH1 3Å; L24-R68 HydrophobicContact CD1-CB 4.38Å; L24-R68 WeakPolarHBondContact CD1-O 3.41Å; L24-R68 WeakPolarHBondContact O-CB 3.41Å; L24-R68 VanDerWaalsContact O-CD 3.22Å; L24-R68 WeakPolarHBondContact O-CD 3.49Å; L24-R68 WeakPolarHBondContact O-CG 3.49Å; L24-R68 PolarHBondContact O-NH1 2.91Å; I64-R68 HydrophobicContact CD1-CB 4.38Å; I64-R68 HydrophobicContact CD1-CG 4.16Å; S65-R68 WeakPolarHBondContact O-CA 3.33Å; S65-R68 PolarHBondContact O-N 3.36Å; P66-R68 PolarHBondContact O-N 3.16Å
69R92.7Very high92.8Very high130 Ų13036.7 Ų36.749%0.49119%0.185SC..SBendtrans-91.7-28.5-177.6-175.2174170.3-171.9-3.2114S65 N67 D87 V88S65-R69 PolarHBondContact OG-N 3.35Å; N67-R69 PolarHBondContact O-N 2.99Å; N67-R69 PolarHBondContact OD1-N 3.07Å; R69-D87 IonicContact CZ-OD2 2.66Å; R69-D87 VanDerWaalsContact CZ-OD2 3.31Å; R69-D87 IonicContact NE-OD2 2.66Å; R69-D87 PolarHBondContact NE-OD2 3.5Å; R69-D87 IonicContact NH2-OD2 3.6Å; R69-D87 PolarHBondContact NH2-OD2 2.75Å; R69-V88 WeakPolarHBondContact O-CG2 3.44Å; R69-V88 PolarHBondContact O-N 3.02Å
70Y95.2Very high92.6Very high16 Ų1641.3 Ų41.36%0.06321%0.205CC..EExtended strand (participates in β ladder)trans-125.5143-172.8-54.6-63.8000111.6S65 Y86 D87 K94 W135S65-Y70 PolarHBondContact N-O 3.42Å; S65-Y70 PolarHBondContact OG-N 3.21Å; S65-Y70 PolarHBondContact OG-O 3.08Å; Y70-Y86 VanDerWaalsContact CA-O 3.29Å; Y70-Y86 WeakPolarHBondContact CA-O 3.11Å; Y70-D87 HydrophobicContact CD1-CB 4.11Å; Y70-D87 HydrophobicContact CE1-CB 4.03Å; Y70-K94 HydrophobicContact CD1-CD 4.02Å; Y70-K94 HydrophobicContact CE1-CD 3.46Å; Y70-K94 VanDerWaalsContact CE1-CD 3.46Å; Y70-K94 PolarHBondContact OH-NZ 3.07Å; Y70-W135 AromaticContact CD1-CH2 3.87Å; Y70-W135 HydrophobicContact CD1-CH2 3.87Å; Y70-W135 AromaticContact CD2-CH2 3.55Å; Y70-W135 HydrophobicContact CD2-CH2 3.55Å; Y70-W135 AromaticContact CD2-CZ2 3.56Å; Y70-W135 HydrophobicContact CD2-CZ2 3.56Å; Y70-W135 HydrophobicContact CE1-CH2 4.08Å; Y70-W135 AromaticContact CE2-CH2 3.74Å; Y70-W135 HydrophobicContact CE2-CH2 3.74Å; Y70-W135 AromaticContact CE2-CZ2 3.87Å; Y70-W135 HydrophobicContact CE2-CZ2 3.87Å; Y70-W135 AromaticContact CG-CH2 3.61Å; Y70-W135 HydrophobicContact CG-CH2 3.61Å; Y70-W135 AromaticContact CG-CZ2 4Å; Y70-W135 HydrophobicContact CG-CZ2 4Å
71I96Very high92.5Very high0 Ų040.6 Ų40.60%020%0.201CC..EExtended strand (participates in β ladder)trans-121.4127.4171.5-75174000108V30 L37 L62 A63 I64 V85 Y86 V88V30-I71 HydrophobicContact CB-CD1 4.29Å; V30-I71 HydrophobicContact CG1-CD1 4.05Å; V30-I71 HydrophobicContact CG2-CD1 3.96Å; L37-I71 HydrophobicContact CD1-CG2 4.11Å; L62-I71 HydrophobicContact CD1-CG2 3.4Å; L62-I71 HydrophobicContact CG-CG2 4.41Å; A63-I71 CarbonylContact O-C 3.55Å; A63-I71 WeakPolarHBondContact O-CA 3.45Å; I64-I71 HydrophobicContact CB-CG1 4.24Å; I64-I71 HydrophobicContact CD1-CG1 4.35Å; I64-I71 HydrophobicContact CG1-CG1 3.92Å; I71-V85 CarbonylContact O-C 3.58Å; I71-V85 WeakPolarHBondContact O-CA 3.39Å; I71-Y86 PolarHBondContact N-O 3.26Å; I71-Y86 PolarHBondContact O-N 3.45Å; I71-V88 HydrophobicContact CB-CG2 4.11Å; I71-V88 HydrophobicContact CD1-CG1 4.42Å; I71-V88 HydrophobicContact CD1-CG2 3.63Å; I71-V88 HydrophobicContact CG1-CG2 3.58Å
72A96.3Very high92.4Very high0 Ų040.8 Ų40.80%020%0.202CC..EExtended strand (participates in β ladder)trans-98.2123.6169.600000108.5L62 A63 V83 V85 L110 F112 L119L62-A72 CarbonylContact C-O 3.59Å; L62-A72 WeakPolarHBondContact CA-O 3.48Å; A63-A72 PolarHBondContact N-O 3.18Å; A63-A72 PolarHBondContact O-N 3.15Å; A72-V83 HydrophobicContact CB-CG1 3.94Å; A72-V85 HydrophobicContact CB-CG2 4.19Å; A72-L110 HydrophobicContact CB-CD1 4.18Å; A72-F112 HydrophobicContact CB-CE2 3.51Å; A72-F112 HydrophobicContact CB-CZ 3.66Å; A72-L119 HydrophobicContact CB-CD1 3.92Å; A72-L119 HydrophobicContact CB-CD2 4.35Å
73L95.4Very high92.4Very high1 Ų140.7 Ų40.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-115131.5175.5174.771.3000108.3L37 M59 L62 E75 V83 T84 Y86L37-L73 HydrophobicContact CD1-CB 4.27Å; L37-L73 HydrophobicContact CD1-CD1 4.12Å; L37-L73 HydrophobicContact CD1-CD2 4.13Å; L37-L73 HydrophobicContact CD1-CG 4.4Å; L37-L73 HydrophobicContact CD2-CD1 4.29Å; L37-L73 HydrophobicContact CG-CD1 4.34Å; L37-L73 HydrophobicContact CG-CD2 4.47Å; M59-L73 HydrophobicContact CB-CD1 3.97Å; M59-L73 HydrophobicContact CE-CD1 4.38Å; M59-L73 HydrophobicContact CE-CD2 3.64Å; M59-L73 HydrophobicContact CG-CD1 3.72Å; M59-L73 HydrophobicContact CG-CD2 4.09Å; M59-L73 HydrophobicContact CG-CG 4.31Å; M59-L73 HydrophobicContact SD-CD1 3.74Å; M59-L73 HydrophobicContact SD-CD2 4.13Å; L62-L73 HydrophobicContact CD1-CB 4.4Å; L62-L73 HydrophobicContact CD1-CD1 4.04Å; L73-E75 HydrophobicContact CD2-CG 3.89Å; L73-E75 HydrophobicContact CG-CG 4.08Å; L73-V83 CarbonylContact O-C 3.58Å; L73-V83 VanDerWaalsContact O-CA 3.3Å; L73-V83 WeakPolarHBondContact O-CA 3.46Å; L73-V83 WeakPolarHBondContact O-CG1 3.43Å; L73-T84 PolarHBondContact N-O 3.39Å; L73-T84 PolarHBondContact O-N 3.21Å; L73-Y86 HydrophobicContact CB-CE2 4.43Å; L73-Y86 HydrophobicContact CD2-CE2 4.38Å
74S94.9Very high92.4Very high0 Ų040.2 Ų40.20%020%0.197CC..EExtended strand (participates in β ladder)trans-100.9138.2166.765.20000112.2M59 T60 A61 V82 F107M59-S74 WeakPolarHBondContact CA-O 3.38Å; T60-S74 PolarHBondContact N-O 2.97Å; T60-S74 PolarHBondContact OG1-O 3.26Å; T60-S74 PolarHBondContact OG1-OG 3.36Å; A61-S74 WeakPolarHBondContact CB-OG 3.36Å; A61-S74 PolarHBondContact N-OG 3.29Å; A61-S74 PolarHBondContact O-N 3.15Å; A61-S74 PolarHBondContact O-OG 2.85Å; S74-V82 VanDerWaalsContact CA-O 3.27Å; S74-V82 WeakPolarHBondContact CA-O 3.41Å; S74-F107 PolarHBondContact OG-O 3.18Å
75E92.7Very high92.4Very high2 Ų238.5 Ų38.51%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-126.9131.7-176.3-72.9171103.300109.2G52 L53 S56 G58 M59 L73 V82G52-E75 WeakPolarHBondContact CA-OE1 3.35Å; L53-E75 VanDerWaalsContact CD1-OE2 3.29Å; L53-E75 WeakPolarHBondContact CD1-OE2 3.46Å; L53-E75 VanDerWaalsContact CG-OE2 3.32Å; L53-E75 WeakPolarHBondContact CG-OE2 3.44Å; L53-E75 PolarHBondContact N-OE1 2.8Å; S56-E75 WeakPolarHBondContact OG-CB 3.45Å; G58-E75 WeakPolarHBondContact O-CA 3.38Å; M59-E75 HydrophobicContact CG-CG 4.38Å; L73-E75 HydrophobicContact CD2-CG 3.89Å; L73-E75 HydrophobicContact CG-CG 4.08Å; E75-V82 PolarHBondContact N-O 3.16Å; E75-V82 PolarHBondContact O-N 2.9Å
76K90.8Very high92.4Very high65 Ų6539.1 Ų39.128%0.28319%0.191SC..EExtended strand (participates in β ladder)trans-71.4137.2171.3-168.9-178.2-176.8-139.50108.9S56 E57 G58 T60 N105 E106S56-K76 WeakPolarHBondContact CA-O 3.35Å; S56-K76 PolarHBondContact OG-O 2.97Å; E57-K76 HydrophobicContact CB-CB 4.21Å; E57-K76 HydrophobicContact CB-CD 4.06Å; E57-K76 HydrophobicContact CB-CG 4.16Å; E57-K76 PolarHBondContact N-O 3.28Å; E57-K76 WeakPolarHBondContact OE2-CD 3.11Å; E57-K76 WeakPolarHBondContact OE2-CE 3.42Å; E57-K76 IonicContact OE2-NZ 3.16Å; E57-K76 PolarHBondContact OE2-NZ 2.77Å; G58-K76 PolarHBondContact O-N 2.95Å; T60-K76 HydrophobicContact CG2-CB 3.94Å; K76-N105 HydrophobicContact CG-CB 4.46Å; K76-N105 WeakPolarHBondContact CG-O 3.39Å; K76-E106 HydrophobicContact CG-CB 4.4Å
77M88Confident92.4Very high33 Ų3336.3 Ų36.316%0.16317%0.172CC..  trans-136.1157.7177-58.7-70.8-93.900108.9L53 K55 D79 K80 V82 N105L53-M77 HydrophobicContact CD1-CE 4.35Å; K55-M77 HydrophobicContact CB-CE 4.01Å; M77-D79 VanDerWaalsContact C-N 3.35Å; M77-D79 PolarHBondContact O-N 3.25Å; M77-K80 WeakPolarHBondContact CB-O 3.35Å; M77-V82 HydrophobicContact CE-CG2 4.43Å; M77-V82 HydrophobicContact CG-CG2 3.74Å; M77-N105 PolarHBondContact O-ND2 2.85Å
78P83.1Confident92.4Very high71 Ų7132.6 Ų32.646%0.46115%0.153SC..SBendtrans-64.7-34.6179.223.7-34.6000113.7N105P78-N105 PolarHBondContact O-ND2 3.3Å
79D83.5Confident92.2Very high144 Ų14437.2 Ų37.277%0.7718%0.177SC*.SBendtrans-92.1-58.2-176-60.9-38.1000113.4M77M77-D79 VanDerWaalsContact C-N 3.35Å; M77-D79 PolarHBondContact O-N 3.25Å
80K87.7Confident92.1Very high102 Ų10234.5 Ų34.544%0.44318%0.175SC..SBendtrans-152.1137.5-175.3-69.8-167.6175.6-168.50111.2M77M77-K80 WeakPolarHBondContact CB-O 3.35Å
81P92.2Very high91.9Very high5 Ų536.6 Ų36.63%0.03219%0.187CC..  trans-64.7151.7-179.926.7-33.7000111.3S104 N105 F107P81-S104 WeakPolarHBondContact CD-O 3.5Å; P81-S104 VanDerWaalsContact CG-O 3.29Å; P81-S104 WeakPolarHBondContact CG-O 3.32Å; P81-N105 WeakPolarHBondContact CB-O 3.2Å; P81-F107 HydrophobicContact CB-CD2 3.63Å; P81-F107 HydrophobicContact CB-CE2 3.59Å; P81-F107 HydrophobicContact CB-CG 4.21Å; P81-F107 HydrophobicContact CB-CZ 4.15Å; P81-F107 HydrophobicContact CG-CD1 4.47Å; P81-F107 HydrophobicContact CG-CD2 4.1Å; P81-F107 HydrophobicContact CG-CE1 4.12Å; P81-F107 HydrophobicContact CG-CE2 3.69Å; P81-F107 HydrophobicContact CG-CG 4.48Å; P81-F107 HydrophobicContact CG-CZ 3.71Å
82V93.7Very high91.6Very high5 Ų545.6 Ų45.63%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-125.2136.9-178.5-173.20000108.5L53 S74 E75 M77 H98L53-V82 HydrophobicContact CD1-CB 4.38Å; L53-V82 HydrophobicContact CD1-CG1 4.2Å; S74-V82 VanDerWaalsContact CA-O 3.27Å; S74-V82 WeakPolarHBondContact CA-O 3.41Å; E75-V82 PolarHBondContact N-O 3.16Å; E75-V82 PolarHBondContact O-N 2.9Å; M77-V82 HydrophobicContact CE-CG2 4.43Å; M77-V82 HydrophobicContact CG-CG2 3.74Å; V82-H98 VanDerWaalsContact CG1-CE1 3.49Å; V82-H98 WeakPolarHBondContact CG1-CE1 2.89Å; V82-H98 VanDerWaalsContact CG2-CE1 3.49Å; V82-H98 WeakPolarHBondContact CG2-CE1 3.33Å
83V95.4Very high91.5Very high1 Ų150.5 Ų50.51%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-106.1122.3158.3-168.30000108.4A72 L73 S96 L97 F107 L110 L119 V121A72-V83 HydrophobicContact CB-CG1 3.94Å; L73-V83 CarbonylContact O-C 3.58Å; L73-V83 VanDerWaalsContact O-CA 3.3Å; L73-V83 WeakPolarHBondContact O-CA 3.46Å; L73-V83 WeakPolarHBondContact O-CG1 3.43Å; V83-S96 CarbonylContact O-C 3.59Å; V83-S96 WeakPolarHBondContact O-CA 3.39Å; V83-L97 HydrophobicContact CB-CB 4.14Å; V83-L97 HydrophobicContact CB-CD1 4.25Å; V83-L97 HydrophobicContact CG1-CD1 4.48Å; V83-L97 PolarHBondContact N-O 3.11Å; V83-L97 WeakPolarHBondContact O-CB 3.33Å; V83-L97 PolarHBondContact O-N 3.29Å; V83-F107 HydrophobicContact CG2-CD2 3.41Å; V83-F107 VanDerWaalsContact CG2-CD2 3.41Å; V83-F107 HydrophobicContact CG2-CE2 3.69Å; V83-F107 HydrophobicContact CG2-CG 4.25Å; V83-L110 HydrophobicContact CG1-CD1 3.93Å; V83-L110 HydrophobicContact CG1-CD2 4.08Å; V83-L110 HydrophobicContact CG2-CD2 3.83Å; V83-L119 HydrophobicContact CG1-CD2 4.08Å; V83-V121 HydrophobicContact CG2-CG1 4.11Å; V83-V121 HydrophobicContact CG2-CG2 4.33Å
84T95.1Very high91.4Very high0 Ų054 Ų540%026%0.258CS..EExtended strand (participates in β ladder)trans-106.4124.6175.7-57.50000109.1L73 Y86 K93 K95 S96L73-T84 PolarHBondContact N-O 3.39Å; L73-T84 PolarHBondContact O-N 3.21Å; T84-Y86 HydrophobicContact CG2-CD2 3.93Å; T84-Y86 HydrophobicContact CG2-CE1 4.34Å; T84-Y86 HydrophobicContact CG2-CE2 3.33Å; T84-K93 HydrophobicContact CG2-CB 4.36Å; T84-K93 HydrophobicContact CG2-CD 3.69Å; T84-K93 HydrophobicContact CG2-CG 3.68Å; T84-K95 CarbonylContact C-O 3.59Å; T84-K95 WeakPolarHBondContact CA-O 3.43Å; T84-S96 PolarHBondContact OG1-OG 2.82Å
85V95.8Very high91.3Very high0 Ų057.8 Ų57.80%027%0.274CS..EExtended strand (participates in β ladder)trans-99.8122175.9-172.80000109.2I71 A72 K94 K95 L97 F112 W135I71-V85 CarbonylContact O-C 3.58Å; I71-V85 WeakPolarHBondContact O-CA 3.39Å; A72-V85 HydrophobicContact CB-CG2 4.19Å; V85-K94 WeakPolarHBondContact O-CA 3.28Å; V85-K94 PolarHBondContact O-N 2.92Å; V85-K95 HydrophobicContact CB-CB 4.47Å; V85-K95 PolarHBondContact N-O 3.36Å; V85-K95 PolarHBondContact O-N 3.33Å; V85-L97 HydrophobicContact CG2-CD1 4.07Å; V85-F112 HydrophobicContact CG1-CZ 4.27Å; V85-W135 HydrophobicContact CB-CE3 4.16Å; V85-W135 HydrophobicContact CB-CZ3 4.12Å; V85-W135 HydrophobicContact CG1-CE3 3.91Å; V85-W135 HydrophobicContact CG1-CH2 3.91Å; V85-W135 HydrophobicContact CG1-CZ3 3.53Å; V85-W135 HydrophobicContact CG2-CE3 4.07Å
86Y95.3Very high91.3Very high13 Ų1358.9 Ų58.95%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-105.4145.9177.6-64.7-98.4000110.5I50 A51 Y70 I71 L73 T84 R92 K93I50-Y86 HydrophobicContact CG2-CD1 3.35Å; I50-Y86 HydrophobicContact CG2-CD2 4.17Å; I50-Y86 HydrophobicContact CG2-CE1 3.25Å; I50-Y86 HydrophobicContact CG2-CE2 4.09Å; I50-Y86 HydrophobicContact CG2-CG 3.83Å; A51-Y86 PolarHBondContact O-OH 3.35Å; Y70-Y86 VanDerWaalsContact CA-O 3.29Å; Y70-Y86 WeakPolarHBondContact CA-O 3.11Å; I71-Y86 PolarHBondContact N-O 3.26Å; I71-Y86 PolarHBondContact O-N 3.45Å; L73-Y86 HydrophobicContact CB-CE2 4.43Å; L73-Y86 HydrophobicContact CD2-CE2 4.38Å; T84-Y86 HydrophobicContact CG2-CD2 3.93Å; T84-Y86 HydrophobicContact CG2-CE1 4.34Å; T84-Y86 HydrophobicContact CG2-CE2 3.33Å; Y86-R92 WeakPolarHBondContact CA-O 3.46Å; Y86-K93 HydrophobicContact CD1-CB 4.14Å; Y86-K93 HydrophobicContact CE1-CB 4.02Å
87D93.9Very high91.4Very high11 Ų1155.9 Ų55.96%0.05927%0.269CS..EExtended strand (participates in β ladder)trans-90.2117.1165.9176.6-61.7000108R69 Y70 H89 T90 L91 R92R69-D87 IonicContact CZ-OD2 2.66Å; R69-D87 VanDerWaalsContact CZ-OD2 3.31Å; R69-D87 IonicContact NE-OD2 2.66Å; R69-D87 PolarHBondContact NE-OD2 3.5Å; R69-D87 IonicContact NH2-OD2 3.6Å; R69-D87 PolarHBondContact NH2-OD2 2.75Å; Y70-D87 HydrophobicContact CD1-CB 4.11Å; Y70-D87 HydrophobicContact CE1-CB 4.03Å; D87-H89 VanDerWaalsContact C-N 3.31Å; D87-H89 PolarHBondContact O-N 3.09Å; D87-H89 PolarHBondContact OD1-N 3.01Å; D87-T90 WeakPolarHBondContact CB-OG1 3.35Å; D87-T90 PolarHBondContact O-N 3.33Å; D87-T90 PolarHBondContact O-OG1 3.12Å; D87-T90 PolarHBondContact OD1-N 2.78Å; D87-T90 VanDerWaalsContact OD1-N 3.09Å; D87-T90 PolarHBondContact OD1-OG1 3.37Å; D87-L91 WeakPolarHBondContact O-CA 3.28Å; D87-L91 PolarHBondContact O-N 2.71Å; D87-R92 PolarHBondContact N-O 3.49Å; D87-R92 PolarHBondContact O-N 2.9Å
88V90.8Very high91.4Very high9 Ų959.1 Ų59.16%0.05528%0.284CS..THydrogen-bonded Turntrans-71.2-28.4-167.3-169.40000112.1L24 L39 R69 I71 L91L24-V88 HydrophobicContact CD1-CB 4.17Å; L24-V88 HydrophobicContact CD1-CG1 3.69Å; L24-V88 HydrophobicContact CD1-CG2 4.4Å; L24-V88 HydrophobicContact CD2-CG1 3.63Å; L24-V88 HydrophobicContact CG-CG1 4.31Å; L39-V88 HydrophobicContact CD2-CG1 3.7Å; R69-V88 WeakPolarHBondContact O-CG2 3.44Å; R69-V88 PolarHBondContact O-N 3.02Å; I71-V88 HydrophobicContact CB-CG2 4.11Å; I71-V88 HydrophobicContact CD1-CG1 4.42Å; I71-V88 HydrophobicContact CD1-CG2 3.63Å; I71-V88 HydrophobicContact CG1-CG2 3.58Å; V88-L91 VanDerWaalsContact O-CD2 3.31Å; V88-L91 WeakPolarHBondContact O-CD2 3.14Å
89H87.9Confident91.4Very high174 Ų17456.1 Ų56.181%0.80627%0.265SS*.THydrogen-bonded Turntrans-72.5-37178.6-172.378.9000111.9D87D87-H89 VanDerWaalsContact C-N 3.31Å; D87-H89 PolarHBondContact O-N 3.09Å; D87-H89 PolarHBondContact OD1-N 3.01Å
90T90.4Very high90.8Very high72 Ų7252.6 Ų52.644%0.44225%0.25SC..THydrogen-bonded Turntrans-92.1-10.9178.860.50000114.1D87 R92D87-T90 WeakPolarHBondContact CB-OG1 3.35Å; D87-T90 PolarHBondContact O-N 3.33Å; D87-T90 PolarHBondContact O-OG1 3.12Å; D87-T90 PolarHBondContact OD1-N 2.78Å; D87-T90 VanDerWaalsContact OD1-N 3.09Å; D87-T90 PolarHBondContact OD1-OG1 3.37Å; T90-R92 WeakPolarHBondContact O-CG 3.29Å; T90-R92 PolarHBondContact O-N 3.35Å; T90-R92 VanDerWaalsContact O-N 3.17Å
91L90.2Very high90.2Very high61 Ų6154 Ų5432%0.31926%0.262SS..THydrogen-bonded Turntrans53.324.8-170.1-55.5175.6000113.5L39 K48 I50 D87 V88L39-L91 HydrophobicContact CD1-CD2 4.23Å; L39-L91 HydrophobicContact CD2-CD2 3.73Å; K48-L91 HydrophobicContact CB-CD1 4.22Å; K48-L91 HydrophobicContact CD-CD1 4.47Å; I50-L91 HydrophobicContact CD1-CD2 3.93Å; I50-L91 HydrophobicContact CG1-CB 4.34Å; I50-L91 HydrophobicContact CG1-CD2 3.79Å; D87-L91 WeakPolarHBondContact O-CA 3.28Å; D87-L91 PolarHBondContact O-N 2.71Å; V88-L91 VanDerWaalsContact O-CD2 3.31Å; V88-L91 WeakPolarHBondContact O-CD2 3.14Å
92R91.2Very high89.7Confident189 Ų18954.4 Ų54.471%0.71326%0.264SS*.EExtended strand (participates in β ladder)trans-111.1143.8-176.1-74.4177.2-178.5-164.3-0.4112Y86 D87 T90 K94Y86-R92 WeakPolarHBondContact CA-O 3.46Å; D87-R92 PolarHBondContact N-O 3.49Å; D87-R92 PolarHBondContact O-N 2.9Å; T90-R92 WeakPolarHBondContact O-CG 3.29Å; T90-R92 PolarHBondContact O-N 3.35Å; T90-R92 VanDerWaalsContact O-N 3.17Å; R92-K94 PolarHBondContact O-N 3.16Å
93K93.2Very high89.1Confident102 Ų10261 Ų6144%0.44329%0.294SS..EExtended strand (participates in β ladder)trans-58.7115.9169.5173.9168.4179.4159.40110.6T84 Y86 S96T84-K93 HydrophobicContact CG2-CB 4.36Å; T84-K93 HydrophobicContact CG2-CD 3.69Å; T84-K93 HydrophobicContact CG2-CG 3.68Å; Y86-K93 HydrophobicContact CD1-CB 4.14Å; Y86-K93 HydrophobicContact CE1-CB 4.02Å; K93-S96 WeakPolarHBondContact CE-OG 3.49Å; K93-S96 PolarHBondContact NZ-OG 2.73Å
94K93.1Very high88.7Confident75 Ų7561.1 Ų61.133%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-89.2-37.8174.1-178.4174.7169.8-164.90111.6Y70 V85 R92 W135 E136Y70-K94 HydrophobicContact CD1-CD 4.02Å; Y70-K94 HydrophobicContact CE1-CD 3.46Å; Y70-K94 VanDerWaalsContact CE1-CD 3.46Å; Y70-K94 PolarHBondContact OH-NZ 3.07Å; V85-K94 WeakPolarHBondContact O-CA 3.28Å; V85-K94 PolarHBondContact O-N 2.92Å; R92-K94 PolarHBondContact O-N 3.16Å; K94-W135 HydrophobicContact CD-CH2 3.87Å; K94-W135 HydrophobicContact CD-CZ3 3.7Å; K94-W135 HydrophobicContact CG-CZ3 4.26Å; K94-E136 IonicContact NZ-OE1 3.56Å; K94-E136 PolarHBondContact NZ-OE1 2.87Å
95K93.5Very high88.4Confident79 Ų7963.9 Ų63.934%0.34331%0.31SS..EExtended strand (participates in β ladder)trans-154.8153.4-179.7-150.573.1-153.2-168.10113T84 V85 L97 P138T84-K95 CarbonylContact C-O 3.59Å; T84-K95 WeakPolarHBondContact CA-O 3.43Å; V85-K95 HydrophobicContact CB-CB 4.47Å; V85-K95 PolarHBondContact N-O 3.36Å; V85-K95 PolarHBondContact O-N 3.33Å; K95-L97 HydrophobicContact CB-CD2 4.41Å; K95-L97 HydrophobicContact CG-CD2 3.85Å; K95-P138 HydrophobicContact CD-CG 4.42Å; K95-P138 VanDerWaalsContact CE-CG 3.46Å; K95-P138 HydrophobicContact CG-CB 4.41Å
96S92.2Very high88.2Confident25 Ų2567 Ų6718%0.17533%0.325CS..EExtended strand (participates in β ladder)trans-116.7147.7156.5-78.30000110.2V83 T84 K93V83-S96 CarbonylContact O-C 3.59Å; V83-S96 WeakPolarHBondContact O-CA 3.39Å; T84-S96 PolarHBondContact OG1-OG 2.82Å; K93-S96 WeakPolarHBondContact CE-OG 3.49Å; K93-S96 PolarHBondContact NZ-OG 2.73Å
97L92.9Very high88.2Confident3 Ų366.6 Ų66.62%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-126.8126.2-171.9-52.1-179.3000107.9V83 V85 K95 L119 W133 W135 P138V83-L97 HydrophobicContact CB-CB 4.14Å; V83-L97 HydrophobicContact CB-CD1 4.25Å; V83-L97 HydrophobicContact CG1-CD1 4.48Å; V83-L97 PolarHBondContact N-O 3.11Å; V83-L97 WeakPolarHBondContact O-CB 3.33Å; V83-L97 PolarHBondContact O-N 3.29Å; V85-L97 HydrophobicContact CG2-CD1 4.07Å; K95-L97 HydrophobicContact CB-CD2 4.41Å; K95-L97 HydrophobicContact CG-CD2 3.85Å; L97-L119 HydrophobicContact CD1-CD2 3.55Å; L97-W133 HydrophobicContact CB-CE3 3.93Å; L97-W133 HydrophobicContact CB-CH2 3.76Å; L97-W133 HydrophobicContact CB-CZ2 4.49Å; L97-W133 HydrophobicContact CB-CZ3 3.44Å; L97-W133 VanDerWaalsContact CB-CZ3 3.44Å; L97-W133 HydrophobicContact CD1-CE3 4.03Å; L97-W133 HydrophobicContact CD1-CZ3 4.38Å; L97-W133 HydrophobicContact CD2-CE3 3.79Å; L97-W133 HydrophobicContact CD2-CZ3 3.64Å; L97-W133 HydrophobicContact CG-CE3 4.11Å; L97-W133 HydrophobicContact CG-CZ3 3.98Å; L97-W135 HydrophobicContact CD1-CB 3.89Å; L97-W135 HydrophobicContact CD2-CB 4.35Å; L97-P138 HydrophobicContact CD2-CB 3.83Å
98H88.5Confident88.1Confident101 Ų10167.5 Ų67.547%0.46833%0.329SS..  trans-131.6123.7179.6-51.7-69.8000109.6V82 P100 W133V82-H98 VanDerWaalsContact CG1-CE1 3.49Å; V82-H98 WeakPolarHBondContact CG1-CE1 2.89Å; V82-H98 VanDerWaalsContact CG2-CE1 3.49Å; V82-H98 WeakPolarHBondContact CG2-CE1 3.33Å; H98-P100 WeakPolarHBondContact O-CD 3.04Å; H98-W133 WeakPolarHBondContact O-CH2 3.45Å
99A83.2Confident88.3Confident8 Ų867.2 Ų67.27%0.06633%0.327CS..  trans-77.9125.2174.800000110.3I102 F107 W133A99-I102 HydrophobicContact CB-CB 4.27Å; A99-I102 HydrophobicContact CB-CD1 3.38Å; A99-I102 HydrophobicContact CB-CG1 3.69Å; A99-F107 HydrophobicContact CB-CZ 4.28Å; A99-W133 HydrophobicContact CB-CZ2 4.3Å
100P71Confident88.8Confident69 Ų6959.5 Ų59.545%0.44829%0.292SS..THydrogen-bonded Turntrans-62151.3154.630.2-31.8000108.8H98 I102H98-P100 WeakPolarHBondContact O-CD 3.04Å; P100-I102 PolarHBondContact O-N 3.33Å
101D75.9Confident89.1Confident133 Ų13356.6 Ų56.671%0.71128%0.276SS*.THydrogen-bonded Turntrans63.831.9169.7-39.9-33.1000116.9
102I80.5Confident89.4Confident13 Ų1354.4 Ų54.47%0.06726%0.263CS..  trans-115.6128.5165.7-61.2-171.8000109.7A99 P100 F107 E127 I129A99-I102 HydrophobicContact CB-CB 4.27Å; A99-I102 HydrophobicContact CB-CD1 3.38Å; A99-I102 HydrophobicContact CB-CG1 3.69Å; P100-I102 PolarHBondContact O-N 3.33Å; I102-F107 HydrophobicContact CD1-CE1 3.89Å; I102-F107 HydrophobicContact CD1-CZ 4.45Å; I102-E127 WeakPolarHBondContact CA-OE2 3.32Å; I102-I129 HydrophobicContact CG1-CD1 4.21Å
103H82Confident89.6Confident142 Ų14245.4 Ų45.466%0.65723%0.229SC*.  trans-96.9-7.9177.5-60.895.2000113.7E127H103-E127 IonicContact CE1-OE1 3.73Å; H103-E127 IonicContact CG-OE1 2.83Å; H103-E127 IonicContact CG-OE2 3.78Å; H103-E127 PolarHBondContact N-OE2 3.23Å; H103-E127 IonicContact ND1-OE1 3Å; H103-E127 PolarHBondContact ND1-OE1 2.89Å; H103-E127 IonicContact ND1-OE2 3.52Å
104S86.3Confident89.7Confident5 Ų542.5 Ų42.54%0.03522%0.221CC..  trans-73.7137.1170.8-170.40000110.5P81 E106 G124 S125P81-S104 WeakPolarHBondContact CD-O 3.5Å; P81-S104 VanDerWaalsContact CG-O 3.29Å; P81-S104 WeakPolarHBondContact CG-O 3.32Å; S104-E106 VanDerWaalsContact C-N 3.27Å; S104-E106 PolarHBondContact O-N 3.21Å; S104-E106 PolarHBondContact OG-O 3.02Å; S104-G124 WeakPolarHBondContact OG-CA 3.45Å; S104-G124 PolarHBondContact OG-N 3.3Å; S104-S125 WeakPolarHBondContact CB-O 3.33Å; S104-S125 PolarHBondContact OG-O 3.16Å
105N87.9Confident89.7Confident57 Ų5741.4 Ų41.431%0.30522%0.219SC..SBendtrans-80.4-2.1177.5-74.635.3000113.9K76 M77 P78 P81K76-N105 HydrophobicContact CG-CB 4.46Å; K76-N105 WeakPolarHBondContact CG-O 3.39Å; M77-N105 PolarHBondContact O-ND2 2.85Å; P78-N105 PolarHBondContact O-ND2 3.3Å; P81-N105 WeakPolarHBondContact CB-O 3.2Å
106E92Very high89.8Confident67 Ų6738 Ų3831%0.31321%0.205SC..  trans-141156.5-174.262.4-177.8-153.500114.1T60 K76 S104 V108 G124T60-E106 HydrophobicContact CG2-CB 4.09Å; K76-E106 HydrophobicContact CG-CB 4.4Å; S104-E106 VanDerWaalsContact C-N 3.27Å; S104-E106 PolarHBondContact O-N 3.21Å; S104-E106 PolarHBondContact OG-O 3.02Å; E106-V108 HydrophobicContact CG-CG2 4.38Å; E106-G124 PolarHBondContact O-N 2.98Å
107F94.5Very high89.9Confident3 Ų342 Ų421%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-108.8126.7163.7-63.4-60.2000108.7T60 S74 P81 V83 A99 I102 V121 Q122T60-F107 WeakPolarHBondContact CB-O 3.14Å; T60-F107 PolarHBondContact OG1-O 2.63Å; S74-F107 PolarHBondContact OG-O 3.18Å; P81-F107 HydrophobicContact CB-CD2 3.63Å; P81-F107 HydrophobicContact CB-CE2 3.59Å; P81-F107 HydrophobicContact CB-CG 4.21Å; P81-F107 HydrophobicContact CB-CZ 4.15Å; P81-F107 HydrophobicContact CG-CD1 4.47Å; P81-F107 HydrophobicContact CG-CD2 4.1Å; P81-F107 HydrophobicContact CG-CE1 4.12Å; P81-F107 HydrophobicContact CG-CE2 3.69Å; P81-F107 HydrophobicContact CG-CG 4.48Å; P81-F107 HydrophobicContact CG-CZ 3.71Å; V83-F107 HydrophobicContact CG2-CD2 3.41Å; V83-F107 VanDerWaalsContact CG2-CD2 3.41Å; V83-F107 HydrophobicContact CG2-CE2 3.69Å; V83-F107 HydrophobicContact CG2-CG 4.25Å; A99-F107 HydrophobicContact CB-CZ 4.28Å; I102-F107 HydrophobicContact CD1-CE1 3.89Å; I102-F107 HydrophobicContact CD1-CZ 4.45Å; F107-V121 HydrophobicContact CB-CG1 3.85Å; F107-V121 HydrophobicContact CD1-CG1 3.2Å; F107-V121 HydrophobicContact CD2-CG1 3.9Å; F107-V121 HydrophobicContact CE1-CG1 3.57Å; F107-V121 HydrophobicContact CE2-CG1 4.22Å; F107-V121 HydrophobicContact CG-CG1 3.38Å; F107-V121 HydrophobicContact CZ-CG1 4.06Å; F107-Q122 CarbonylContact C-O 3.54Å; F107-Q122 WeakPolarHBondContact CA-O 3.3Å
108V93.4Very high90Very high30 Ų3045 Ų4518%0.18223%0.231CC..EExtended strand (participates in β ladder)trans-90.6-25.7-169.9178.20000112.1S18 E106 Q122 G124 W128S18-V108 WeakPolarHBondContact CB-O 3.49Å; S18-V108 PolarHBondContact OG-O 3.08Å; E106-V108 HydrophobicContact CG-CG2 4.38Å; V108-Q122 PolarHBondContact N-O 2.68Å; V108-G124 VanDerWaalsContact CG2-CA 3.47Å; V108-W128 HydrophobicContact CG2-CZ3 4.19Å
109S95.3Very high90.4Very high4 Ų440.2 Ų40.23%0.02821%0.209CC..EExtended strand (participates in β ladder)trans-154.5146.9178.9-164.90000111.4S18 Q122 I155S18-S109 PolarHBondContact OG-OG 3.44Å; S109-Q122 PolarHBondContact O-N 2.61Å; S109-I155 PolarHBondContact OG-N 3.29Å
110L96.7Very high91Very high11 Ų1139.9 Ų39.96%0.05821%0.205CC..EExtended strand (participates in β ladder)trans-129.6146.9-178.4-62.9176.4000109.5A61 A63 A72 V83 A120 V121A61-L110 HydrophobicContact CB-CD1 4.22Å; A61-L110 HydrophobicContact CB-CG 3.95Å; A63-L110 HydrophobicContact CB-CB 3.73Å; A72-L110 HydrophobicContact CB-CD1 4.18Å; V83-L110 HydrophobicContact CG1-CD1 3.93Å; V83-L110 HydrophobicContact CG1-CD2 4.08Å; V83-L110 HydrophobicContact CG2-CD2 3.83Å; L110-A120 WeakPolarHBondContact CA-O 3.42Å; L110-V121 HydrophobicContact CD2-CB 4.12Å; L110-V121 HydrophobicContact CD2-CG1 3.77Å; L110-V121 HydrophobicContact CD2-CG2 3.74Å
111A96.9Very high92.2Very high12 Ų1236.7 Ų36.710%0.09919%0.185CC..EExtended strand (participates in β ladder)trans-149.4141.8168.200000111.1L119 A120 I155 F157A111-L119 WeakPolarHBondContact O-CA 3.3Å; A111-L119 WeakPolarHBondContact O-CD1 3.1Å; A111-A120 PolarHBondContact N-O 3.38Å; A111-A120 PolarHBondContact O-N 2.92Å; A111-I155 HydrophobicContact CB-CG1 4.31Å; A111-F157 HydrophobicContact CB-CD2 3.96Å; A111-F157 HydrophobicContact CB-CE2 4.32Å; A111-F157 WeakPolarHBondContact O-CE2 3.18Å
112F97Very high93.1Very high14 Ų1430.3 Ų30.36%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-91.2148.5169.1-81.7-81.6000111.1A63 I64 A72 V85 Y118 L119 W135 F157A63-F112 HydrophobicContact CB-CD2 4.07Å; A63-F112 HydrophobicContact CB-CE2 4.41Å; A63-F112 WeakPolarHBondContact O-CE2 3.28Å; I64-F112 VanDerWaalsContact C-CD2 3.45Å; I64-F112 WeakPolarHBondContact O-CD2 3.12Å; A72-F112 HydrophobicContact CB-CE2 3.51Å; A72-F112 HydrophobicContact CB-CZ 3.66Å; V85-F112 HydrophobicContact CG1-CZ 4.27Å; F112-Y118 WeakPolarHBondContact CA-O 3.46Å; F112-L119 HydrophobicContact CD1-CD1 3.93Å; F112-L119 HydrophobicContact CD2-CD1 4.02Å; F112-L119 HydrophobicContact CE1-CD1 3.94Å; F112-L119 HydrophobicContact CE2-CD1 4.05Å; F112-L119 HydrophobicContact CG-CD1 3.98Å; F112-L119 HydrophobicContact CZ-CD1 4.01Å; F112-W135 AromaticContact CE1-CD1 3.92Å; F112-W135 HydrophobicContact CE1-CD2 4.37Å; F112-W135 AromaticContact CE1-CE2 3.85Å; F112-W135 HydrophobicContact CE1-CG 4.41Å; F112-W135 HydrophobicContact CE1-CZ2 4.26Å; F112-W135 AromaticContact CE1-NE1 3.59Å; F112-F157 WeakPolarHBondContact O-CD2 3.29Å
113S96.4Very high93.8Very high0 Ų029.7 Ų29.70%015%0.148CC..  trans-66.8154.8169.457.20000111.8P66 D115 S116 K117 Y118P66-S113 WeakPolarHBondContact CD-O 3.45Å; P66-S113 WeakPolarHBondContact CG-O 3.1Å; S113-D115 WeakPolarHBondContact CB-OD1 3.49Å; S113-D115 PolarHBondContact O-N 3.46Å; S113-D115 VanDerWaalsContact O-N 3.15Å; S113-D115 PolarHBondContact OG-OD1 2.96Å; S113-S116 WeakPolarHBondContact O-CA 3.48Å; S113-S116 PolarHBondContact O-N 3.1Å; S113-K117 PolarHBondContact OG-N 3.1Å; S113-Y118 PolarHBondContact N-O 2.72Å; S113-Y118 PolarHBondContact OG-N 3.13Å; S113-Y118 PolarHBondContact OG-O 3.42Å
114P94.5Very high94.2Very high41 Ų4123 Ų2327%0.26612%0.116SC..THydrogen-bonded Turntrans-47.7-40.6174.4-31.235000114.1S116 S158 P159P114-S116 PolarHBondContact O-N 3.07Å; P114-S158 WeakPolarHBondContact CG-O 3.14Å; P114-P159 WeakPolarHBondContact CG-O 3.38Å
115D93.6Very high94.3Very high53 Ų5326.2 Ų26.228%0.28314%0.139SC..THydrogen-bonded Turntrans-80.32.3179.180.3-20.2000114.8S113 K117S113-D115 WeakPolarHBondContact CB-OD1 3.49Å; S113-D115 PolarHBondContact O-N 3.46Å; S113-D115 VanDerWaalsContact O-N 3.15Å; S113-D115 PolarHBondContact OG-OD1 2.96Å; D115-K117 HydrophobicContact CB-CG 4.49Å; D115-K117 PolarHBondContact O-N 2.8Å; D115-K117 VanDerWaalsContact O-N 3.12Å; D115-K117 PolarHBondContact OD1-N 3.41Å; D115-K117 WeakPolarHBondContact OD2-CD 3.38Å; D115-K117 VanDerWaalsContact OD2-CG 3.29Å; D115-K117 WeakPolarHBondContact OD2-CG 3.08Å; D115-K117 IonicContact OD2-NZ 3.97Å; D115-K117 PolarHBondContact OD2-NZ 3.49Å
116S94.5Very high94.2Very high8 Ų827.3 Ų27.36%0.05615%0.149CC..SBendtrans60.48.1-177.1-51.90000116P66 N67 S113 P114 W135P66-S116 WeakPolarHBondContact CD-OG 3.07Å; N67-S116 PolarHBondContact N-OG 2.98Å; S113-S116 WeakPolarHBondContact O-CA 3.48Å; S113-S116 PolarHBondContact O-N 3.1Å; P114-S116 PolarHBondContact O-N 3.07Å; S116-W135 PolarHBondContact O-NE1 3.09Å
117K94Very high93.8Very high107 Ų10726 Ų2647%0.46514%0.143SC..SBendtrans-89.8-21.2-176.7-58.9-167.2-159.498.40114.4S113 D115 W135S113-K117 PolarHBondContact OG-N 3.1Å; D115-K117 HydrophobicContact CB-CG 4.49Å; D115-K117 PolarHBondContact O-N 2.8Å; D115-K117 VanDerWaalsContact O-N 3.12Å; D115-K117 PolarHBondContact OD1-N 3.41Å; D115-K117 WeakPolarHBondContact OD2-CD 3.38Å; D115-K117 VanDerWaalsContact OD2-CG 3.29Å; D115-K117 WeakPolarHBondContact OD2-CG 3.08Å; D115-K117 IonicContact OD2-NZ 3.97Å; D115-K117 PolarHBondContact OD2-NZ 3.49Å; K117-W135 VanDerWaalsContact O-CD1 3.24Å; K117-W135 PolarHBondContact O-NE1 3.14Å
118Y95.5Very high93.7Very high68 Ų6826.8 Ų26.827%0.26715%0.146SC..EExtended strand (participates in β ladder)trans-121153.8-176.2-50.2-82.3000111.3F112 S113 Y132 W133 L141F112-Y118 WeakPolarHBondContact CA-O 3.46Å; S113-Y118 PolarHBondContact N-O 2.72Å; S113-Y118 PolarHBondContact OG-N 3.13Å; S113-Y118 PolarHBondContact OG-O 3.42Å; Y118-Y132 HydrophobicContact CD1-CE1 4.06Å; Y118-Y132 HydrophobicContact CD1-CE2 4.39Å; Y118-Y132 AromaticContact CD1-CZ 3.72Å; Y118-Y132 WeakPolarHBondContact CD1-OH 3.32Å; Y118-Y132 VanDerWaalsContact CD2-OH 3.31Å; Y118-Y132 WeakPolarHBondContact CD2-OH 3.24Å; Y118-Y132 HydrophobicContact CG-CE1 4.42Å; Y118-Y132 HydrophobicContact CG-CE2 4.03Å; Y118-Y132 AromaticContact CG-CZ 3.63Å; Y118-W133 CarbonylContact C-O 3.55Å; Y118-W133 WeakPolarHBondContact CA-O 3.09Å; Y118-W133 WeakPolarHBondContact CB-O 3.45Å; Y118-L141 HydrophobicContact CD1-CD1 3.75Å; Y118-L141 HydrophobicContact CE1-CD1 3.66Å
119L96.6Very high93.7Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-130.7128.5178.6-174.276.7000108A72 V83 L97 A111 F112 V121 W133 W135A72-L119 HydrophobicContact CB-CD1 3.92Å; A72-L119 HydrophobicContact CB-CD2 4.35Å; V83-L119 HydrophobicContact CG1-CD2 4.08Å; L97-L119 HydrophobicContact CD1-CD2 3.55Å; A111-L119 WeakPolarHBondContact O-CA 3.3Å; A111-L119 WeakPolarHBondContact O-CD1 3.1Å; F112-L119 HydrophobicContact CD1-CD1 3.93Å; F112-L119 HydrophobicContact CD2-CD1 4.02Å; F112-L119 HydrophobicContact CE1-CD1 3.94Å; F112-L119 HydrophobicContact CE2-CD1 4.05Å; F112-L119 HydrophobicContact CG-CD1 3.98Å; F112-L119 HydrophobicContact CZ-CD1 4.01Å; L119-V121 HydrophobicContact CD2-CG2 3.76Å; L119-V121 HydrophobicContact CG-CG2 3.89Å; L119-W133 HydrophobicContact CB-CB 4.35Å; L119-W133 PolarHBondContact N-O 3.39Å; L119-W133 WeakPolarHBondContact O-CB 3.37Å; L119-W133 PolarHBondContact O-N 3.25Å; L119-W135 HydrophobicContact CB-CB 4.22Å
120A96.3Very high93.7Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-97.7137.9167.500000108.6L110 A111 L130 T131 I155 F157 I165L110-A120 WeakPolarHBondContact CA-O 3.42Å; A111-A120 PolarHBondContact N-O 3.38Å; A111-A120 PolarHBondContact O-N 2.92Å; A120-L130 HydrophobicContact CB-CD1 4.19Å; A120-T131 WeakPolarHBondContact CA-O 3.16Å; A120-I155 HydrophobicContact CB-CD1 3.85Å; A120-F157 HydrophobicContact CB-CD2 4.37Å; A120-F157 HydrophobicContact CB-CE2 3.41Å; A120-F157 VanDerWaalsContact CB-CE2 3.41Å; A120-F157 HydrophobicContact CB-CZ 3.6Å; A120-I165 HydrophobicContact CB-CD1 3.92Å; A120-I165 HydrophobicContact CB-CG1 4.47Å
121V95.9Very high93.6Very high2 Ų225.9 Ų25.91%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-137.4127-175.2-176.70000108.6V83 F107 L110 L119 L130 T131V83-V121 HydrophobicContact CG2-CG1 4.11Å; V83-V121 HydrophobicContact CG2-CG2 4.33Å; F107-V121 HydrophobicContact CB-CG1 3.85Å; F107-V121 HydrophobicContact CD1-CG1 3.2Å; F107-V121 HydrophobicContact CD2-CG1 3.9Å; F107-V121 HydrophobicContact CE1-CG1 3.57Å; F107-V121 HydrophobicContact CE2-CG1 4.22Å; F107-V121 HydrophobicContact CG-CG1 3.38Å; F107-V121 HydrophobicContact CZ-CG1 4.06Å; L110-V121 HydrophobicContact CD2-CB 4.12Å; L110-V121 HydrophobicContact CD2-CG1 3.77Å; L110-V121 HydrophobicContact CD2-CG2 3.74Å; L119-V121 HydrophobicContact CD2-CG2 3.76Å; L119-V121 HydrophobicContact CG-CG2 3.89Å; V121-L130 CarbonylContact O-C 3.56Å; V121-L130 WeakPolarHBondContact O-CA 3.32Å; V121-T131 PolarHBondContact N-O 2.96Å; V121-T131 PolarHBondContact O-N 2.82Å
122Q95.5Very high93.5Very high0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-107.2119.5176.6174.865.762.600109.8F107 V108 S109 W128 T146 I152 I155F107-Q122 CarbonylContact C-O 3.54Å; F107-Q122 WeakPolarHBondContact CA-O 3.3Å; V108-Q122 PolarHBondContact N-O 2.68Å; S109-Q122 PolarHBondContact O-N 2.61Å; Q122-W128 VanDerWaalsContact NE2-CA 3.33Å; Q122-W128 PolarHBondContact NE2-O 2.69Å; Q122-T146 PolarHBondContact NE2-OG1 3.04Å; Q122-T146 PolarHBondContact OE1-OG1 3.45Å; Q122-I152 HydrophobicContact CG-CB 4.01Å; Q122-I152 HydrophobicContact CG-CG2 3.79Å; Q122-I155 HydrophobicContact CB-CD1 4.01Å; Q122-I155 HydrophobicContact CB-CG2 3.83Å; Q122-I155 HydrophobicContact CG-CG2 4.3Å
123S94.4Very high93.3Very high0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-76156170.769.70000112.2I129S123-I129 PolarHBondContact N-O 2.94Å; S123-I129 PolarHBondContact OG-N 3.28Å; S123-I129 PolarHBondContact OG-O 2.9Å
124G91.3Very high93.2Very high0 Ų026.3 Ų26.30%014%0.142CC..  trans-79.9-160.4177.500000114.3S104 E106 V108 E127 W128S104-G124 WeakPolarHBondContact OG-CA 3.45Å; S104-G124 PolarHBondContact OG-N 3.3Å; E106-G124 PolarHBondContact O-N 2.98Å; V108-G124 VanDerWaalsContact CG2-CA 3.47Å; G124-E127 PolarHBondContact O-N 2.71Å; G124-W128 PolarHBondContact O-N 3.35Å; G124-W128 VanDerWaalsContact O-N 3.09Å
125S88Confident93.2Very high74 Ų7424.4 Ų24.452%0.51713%0.129SC..THydrogen-bonded Turntrans-60146.2173.6-167.80000111.1S104S104-S125 WeakPolarHBondContact CB-O 3.33Å; S104-S125 PolarHBondContact OG-O 3.16Å
126P85.9Confident93.1Very high79 Ų7926.7 Ų26.751%0.51314%0.138SC..THydrogen-bonded Turncis-93.9-5.31.236.2-33.7000114.5
127E84.4Confident92.9Very high39 Ų3934.4 Ų34.418%0.18217%0.171CC..THydrogen-bonded Turntrans-94.2-28.5-164.8-62.2-178.213100114.5I102 H103 G124 I129 K145I102-E127 WeakPolarHBondContact CA-OE2 3.32Å; H103-E127 IonicContact CE1-OE1 3.73Å; H103-E127 IonicContact CG-OE1 2.83Å; H103-E127 IonicContact CG-OE2 3.78Å; H103-E127 PolarHBondContact N-OE2 3.23Å; H103-E127 IonicContact ND1-OE1 3Å; H103-E127 PolarHBondContact ND1-OE1 2.89Å; H103-E127 IonicContact ND1-OE2 3.52Å; G124-E127 PolarHBondContact O-N 2.71Å; E127-I129 HydrophobicContact CB-CD1 3.79Å; E127-I129 HydrophobicContact CB-CG1 3.89Å; E127-K145 WeakPolarHBondContact O-CD 3.45Å; E127-K145 WeakPolarHBondContact O-CE 3.32Å; E127-K145 WeakPolarHBondContact O-CG 3.36Å
128W92.1Very high92.6Very high20 Ų2031.8 Ų31.88%0.07617%0.165CC..  trans45.965.4-179.2-56.9100.7000112.9V108 Q122 G124 T146 P151 I152V108-W128 HydrophobicContact CG2-CZ3 4.19Å; Q122-W128 VanDerWaalsContact NE2-CA 3.33Å; Q122-W128 PolarHBondContact NE2-O 2.69Å; G124-W128 PolarHBondContact O-N 3.35Å; G124-W128 VanDerWaalsContact O-N 3.09Å; W128-T146 PolarHBondContact O-N 3.32Å; W128-T146 PolarHBondContact O-OG1 3.43Å; W128-P151 HydrophobicContact CH2-CB 3.51Å; W128-P151 VanDerWaalsContact CZ2-CA 3.44Å; W128-P151 HydrophobicContact CZ2-CB 3.59Å; W128-P151 HydrophobicContact CZ3-CB 4.31Å; W128-I152 HydrophobicContact CB-CG1 4.49Å; W128-I152 HydrophobicContact CD2-CG1 4.38Å; W128-I152 HydrophobicContact CE3-CB 3.76Å; W128-I152 HydrophobicContact CE3-CG1 3.84Å; W128-I152 HydrophobicContact CZ3-CB 4.01Å; W128-I152 VanDerWaalsContact CZ3-N 3.26Å; W128-I152 WeakPolarHBondContact CZ3-O 3.15Å
129I93.9Very high92.4Very high26 Ų2634.9 Ų34.913%0.13318%0.18CC..EExtended strand (participates in β ladder)trans-101.4120.3-178-59.8168000109.9I102 S123 E127 V144I102-I129 HydrophobicContact CG1-CD1 4.21Å; S123-I129 PolarHBondContact N-O 2.94Å; S123-I129 PolarHBondContact OG-N 3.28Å; S123-I129 PolarHBondContact OG-O 2.9Å; E127-I129 HydrophobicContact CB-CD1 3.79Å; E127-I129 HydrophobicContact CB-CG1 3.89Å; I129-V144 WeakPolarHBondContact CA-O 3.47Å
130L94.8Very high92.1Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-81.9125.7164.3173.967.6000108.8A120 V121 S143 V144 T146 I155 I165 V167 Y176 L183A120-L130 HydrophobicContact CB-CD1 4.19Å; V121-L130 CarbonylContact O-C 3.56Å; V121-L130 WeakPolarHBondContact O-CA 3.32Å; L130-S143 CarbonylContact O-C 3.52Å; L130-S143 VanDerWaalsContact O-CA 3.32Å; L130-S143 WeakPolarHBondContact O-CA 3.49Å; L130-V144 HydrophobicContact CB-CG1 4.08Å; L130-V144 HydrophobicContact CD2-CG1 4.3Å; L130-V144 PolarHBondContact N-O 2.89Å; L130-V144 PolarHBondContact O-N 3.33Å; L130-T146 HydrophobicContact CB-CG2 3.42Å; L130-T146 VanDerWaalsContact CB-CG2 3.42Å; L130-T146 HydrophobicContact CD2-CG2 4.3Å; L130-T146 HydrophobicContact CG-CG2 4.49Å; L130-I155 HydrophobicContact CD1-CD1 3.95Å; L130-I155 HydrophobicContact CD1-CG2 4.43Å; L130-I165 HydrophobicContact CD1-CG2 4.36Å; L130-I165 HydrophobicContact CD2-CD1 4.26Å; L130-I165 HydrophobicContact CD2-CG2 4.07Å; L130-V167 HydrophobicContact CD2-CG2 3.87Å; L130-Y176 HydrophobicContact CD2-CD2 4.16Å; L130-Y176 HydrophobicContact CD2-CG 4.25Å; L130-L183 HydrophobicContact CD2-CD1 4.1Å; L130-L183 HydrophobicContact CG-CD1 4.14Å
131T94.2Very high92Very high1 Ų139.4 Ų39.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-123.3130.4-178.8-40.80000110.1A120 V121 Q140 A142A120-T131 WeakPolarHBondContact CA-O 3.16Å; V121-T131 PolarHBondContact N-O 2.96Å; V121-T131 PolarHBondContact O-N 2.82Å; T131-Q140 HydrophobicContact CG2-CG 3.67Å; T131-A142 WeakPolarHBondContact CG2-O 3.44Å
132Y94.9Very high91.9Very high3 Ų339.7 Ų39.71%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-107122.9-179.6-178.4-113.8000110.2Y118 L141 A142 F157 C162 I165 Y178Y118-Y132 HydrophobicContact CD1-CE1 4.06Å; Y118-Y132 HydrophobicContact CD1-CE2 4.39Å; Y118-Y132 AromaticContact CD1-CZ 3.72Å; Y118-Y132 WeakPolarHBondContact CD1-OH 3.32Å; Y118-Y132 VanDerWaalsContact CD2-OH 3.31Å; Y118-Y132 WeakPolarHBondContact CD2-OH 3.24Å; Y118-Y132 HydrophobicContact CG-CE1 4.42Å; Y118-Y132 HydrophobicContact CG-CE2 4.03Å; Y118-Y132 AromaticContact CG-CZ 3.63Å; Y132-L141 HydrophobicContact CD1-CB 3.84Å; Y132-L141 HydrophobicContact CD1-CD1 3.89Å; Y132-L141 HydrophobicContact CD1-CG 4.47Å; Y132-L141 HydrophobicContact CE1-CB 4.41Å; Y132-L141 HydrophobicContact CE1-CD1 3.67Å; Y132-L141 WeakPolarHBondContact O-CB 3.07Å; Y132-L141 PolarHBondContact O-N 3.49Å; Y132-A142 PolarHBondContact N-O 2.95Å; Y132-A142 PolarHBondContact O-N 3.42Å; Y132-F157 HydrophobicContact CD2-CE1 4.09Å; Y132-F157 AromaticContact CD2-CZ 3.78Å; Y132-F157 HydrophobicContact CD2-CZ 3.78Å; Y132-F157 AromaticContact CE2-CE1 3.56Å; Y132-F157 HydrophobicContact CE2-CE1 3.56Å; Y132-F157 AromaticContact CE2-CZ 3.53Å; Y132-F157 HydrophobicContact CE2-CZ 3.53Å; Y132-C162 PolarHBondContact OH-O 3.37Å; Y132-I165 HydrophobicContact CD2-CD1 4.01Å; Y132-Y178 HydrophobicContact CD1-CD1 4.31Å; Y132-Y178 AromaticContact CD1-CD2 3.41Å; Y132-Y178 HydrophobicContact CD1-CD2 3.41Å; Y132-Y178 VanDerWaalsContact CD1-CD2 3.41Å; Y132-Y178 AromaticContact CD1-CE2 3.68Å; Y132-Y178 HydrophobicContact CD1-CE2 3.68Å; Y132-Y178 AromaticContact CD1-CG 3.75Å; Y132-Y178 HydrophobicContact CD1-CG 3.75Å; Y132-Y178 AromaticContact CE1-CD1 3.7Å; Y132-Y178 HydrophobicContact CE1-CD1 3.7Å; Y132-Y178 AromaticContact CE1-CD2 3.69Å; Y132-Y178 HydrophobicContact CE1-CD2 3.69Å; Y132-Y178 AromaticContact CE1-CE1 3.98Å; Y132-Y178 HydrophobicContact CE1-CE1 3.98Å; Y132-Y178 AromaticContact CE1-CE2 3.95Å; Y132-Y178 HydrophobicContact CE1-CE2 3.95Å; Y132-Y178 AromaticContact CE1-CG 3.54Å; Y132-Y178 HydrophobicContact CE1-CG 3.54Å; Y132-Y178 HydrophobicContact CG-CD2 4.35Å
133W93.2Very high91.7Very high10 Ų1042.6 Ų42.64%0.03823%0.225CC..EExtended strand (participates in β ladder)trans-123.2139-167.4-77.461.9000112.5L97 H98 A99 Y118 L119 W135 P138L97-W133 HydrophobicContact CB-CE3 3.93Å; L97-W133 HydrophobicContact CB-CH2 3.76Å; L97-W133 HydrophobicContact CB-CZ2 4.49Å; L97-W133 HydrophobicContact CB-CZ3 3.44Å; L97-W133 VanDerWaalsContact CB-CZ3 3.44Å; L97-W133 HydrophobicContact CD1-CE3 4.03Å; L97-W133 HydrophobicContact CD1-CZ3 4.38Å; L97-W133 HydrophobicContact CD2-CE3 3.79Å; L97-W133 HydrophobicContact CD2-CZ3 3.64Å; L97-W133 HydrophobicContact CG-CE3 4.11Å; L97-W133 HydrophobicContact CG-CZ3 3.98Å; H98-W133 WeakPolarHBondContact O-CH2 3.45Å; A99-W133 HydrophobicContact CB-CZ2 4.3Å; Y118-W133 CarbonylContact C-O 3.55Å; Y118-W133 WeakPolarHBondContact CA-O 3.09Å; Y118-W133 WeakPolarHBondContact CB-O 3.45Å; L119-W133 HydrophobicContact CB-CB 4.35Å; L119-W133 PolarHBondContact N-O 3.39Å; L119-W133 WeakPolarHBondContact O-CB 3.37Å; L119-W133 PolarHBondContact O-N 3.25Å; W133-W135 PolarHBondContact O-N 3.18Å; W133-P138 HydrophobicContact CZ3-CB 4.4Å
134S94.2Very high91.7Very high21 Ų2144.3 Ų44.315%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-89.192153.9-1760000108.3E136 K137 P138 K139S134-E136 VanDerWaalsContact C-N 3.34Å; S134-E136 PolarHBondContact O-N 3.1Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-P138 WeakPolarHBondContact O-CA 3.39Å; S134-K139 PolarHBondContact N-O 2.9Å; S134-K139 PolarHBondContact O-N 3.16Å
135W94Very high91.8Very high1 Ų149.6 Ų49.60%0.00426%0.258CS..THydrogen-bonded Turntrans-68.5-29.3-167.567.7-93.9000113.8Y70 V85 K94 L97 F112 S116 K117 L119 W133 K137Y70-W135 AromaticContact CD1-CH2 3.87Å; Y70-W135 HydrophobicContact CD1-CH2 3.87Å; Y70-W135 AromaticContact CD2-CH2 3.55Å; Y70-W135 HydrophobicContact CD2-CH2 3.55Å; Y70-W135 AromaticContact CD2-CZ2 3.56Å; Y70-W135 HydrophobicContact CD2-CZ2 3.56Å; Y70-W135 HydrophobicContact CE1-CH2 4.08Å; Y70-W135 AromaticContact CE2-CH2 3.74Å; Y70-W135 HydrophobicContact CE2-CH2 3.74Å; Y70-W135 AromaticContact CE2-CZ2 3.87Å; Y70-W135 HydrophobicContact CE2-CZ2 3.87Å; Y70-W135 AromaticContact CG-CH2 3.61Å; Y70-W135 HydrophobicContact CG-CH2 3.61Å; Y70-W135 AromaticContact CG-CZ2 4Å; Y70-W135 HydrophobicContact CG-CZ2 4Å; V85-W135 HydrophobicContact CB-CE3 4.16Å; V85-W135 HydrophobicContact CB-CZ3 4.12Å; V85-W135 HydrophobicContact CG1-CE3 3.91Å; V85-W135 HydrophobicContact CG1-CH2 3.91Å; V85-W135 HydrophobicContact CG1-CZ3 3.53Å; V85-W135 HydrophobicContact CG2-CE3 4.07Å; K94-W135 HydrophobicContact CD-CH2 3.87Å; K94-W135 HydrophobicContact CD-CZ3 3.7Å; K94-W135 HydrophobicContact CG-CZ3 4.26Å; L97-W135 HydrophobicContact CD1-CB 3.89Å; L97-W135 HydrophobicContact CD2-CB 4.35Å; F112-W135 AromaticContact CE1-CD1 3.92Å; F112-W135 HydrophobicContact CE1-CD2 4.37Å; F112-W135 AromaticContact CE1-CE2 3.85Å; F112-W135 HydrophobicContact CE1-CG 4.41Å; F112-W135 HydrophobicContact CE1-CZ2 4.26Å; F112-W135 AromaticContact CE1-NE1 3.59Å; S116-W135 PolarHBondContact O-NE1 3.09Å; K117-W135 VanDerWaalsContact O-CD1 3.24Å; K117-W135 PolarHBondContact O-NE1 3.14Å; L119-W135 HydrophobicContact CB-CB 4.22Å; W133-W135 PolarHBondContact O-N 3.18Å; W135-K137 VanDerWaalsContact C-N 3.34Å
136E91.8Very high92Very high101 Ų10146.1 Ų46.147%0.47223%0.234SC..THydrogen-bonded Turntrans-67.9-35176.2-61.5-157.7120.500112.5K94 S134 P138K94-E136 IonicContact NZ-OE1 3.56Å; K94-E136 PolarHBondContact NZ-OE1 2.87Å; S134-E136 VanDerWaalsContact C-N 3.34Å; S134-E136 PolarHBondContact O-N 3.1Å; E136-P138 VanDerWaalsContact C-N 3.33Å; E136-P138 VanDerWaalsContact O-CD 3.31Å; E136-P138 WeakPolarHBondContact O-CD 3.33Å
137K90.9Very high92.1Very high170 Ų17042.7 Ų42.774%0.73921%0.212SC*.THydrogen-bonded Turntrans-94.625.6179.7-67.5-173.2178.5179.60113S134 W135 K139S134-K137 PolarHBondContact O-N 3.39Å; W135-K137 VanDerWaalsContact C-N 3.34Å; K137-K139 HydrophobicContact CB-CB 4.42Å; K137-K139 PolarHBondContact O-N 3.35Å
138P87Confident92Very high53 Ų5346.2 Ų46.234%0.34424%0.236SC..THydrogen-bonded Turntrans-11.669-138.529.2-45.8000114.4K95 L97 W133 S134 E136K95-P138 HydrophobicContact CD-CG 4.42Å; K95-P138 VanDerWaalsContact CE-CG 3.46Å; K95-P138 HydrophobicContact CG-CB 4.41Å; L97-P138 HydrophobicContact CD2-CB 3.83Å; W133-P138 HydrophobicContact CZ3-CB 4.4Å; S134-P138 WeakPolarHBondContact O-CA 3.39Å; E136-P138 VanDerWaalsContact C-N 3.33Å; E136-P138 VanDerWaalsContact O-CD 3.31Å; E136-P138 WeakPolarHBondContact O-CD 3.33Å
139K91.1Very high91.6Very high132 Ų13249 Ų4957%0.57426%0.259SS*.EExtended strand (participates in β ladder)trans-114.3116.9-176-175.8178.1178.9-1750110S134 K137 L141S134-K139 PolarHBondContact N-O 2.9Å; S134-K139 PolarHBondContact O-N 3.16Å; K137-K139 HydrophobicContact CB-CB 4.42Å; K137-K139 PolarHBondContact O-N 3.35Å; K139-L141 HydrophobicContact CD-CD2 4.17Å; K139-L141 HydrophobicContact CG-CD2 4.24Å; K139-L141 PolarHBondContact O-N 2.76Å
140Q91.2Very high91.4Very high57 Ų5749.9 Ų49.927%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-62.5125.7162.9176.4168.4-1900109.2T131 S143T131-Q140 HydrophobicContact CG2-CG 3.67Å; Q140-S143 PolarHBondContact NE2-OG 2.82Å
141L92.8Very high91.3Very high38 Ų3852 Ų5220%0.19928%0.277CS..EExtended strand (participates in β ladder)trans-101.5-38.1-177.7-64.6179.4000111.9Y118 Y132 K139 Y178Y118-L141 HydrophobicContact CD1-CD1 3.75Å; Y118-L141 HydrophobicContact CE1-CD1 3.66Å; Y132-L141 HydrophobicContact CD1-CB 3.84Å; Y132-L141 HydrophobicContact CD1-CD1 3.89Å; Y132-L141 HydrophobicContact CD1-CG 4.47Å; Y132-L141 HydrophobicContact CE1-CB 4.41Å; Y132-L141 HydrophobicContact CE1-CD1 3.67Å; Y132-L141 WeakPolarHBondContact O-CB 3.07Å; Y132-L141 PolarHBondContact O-N 3.49Å; K139-L141 HydrophobicContact CD-CD2 4.17Å; K139-L141 HydrophobicContact CG-CD2 4.24Å; K139-L141 PolarHBondContact O-N 2.76Å; L141-Y178 HydrophobicContact CB-CE2 3.95Å
142A93.6Very high91.3Very high8 Ų852 Ų527%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-155.9158.6174.800000111T131 Y132 Y178 L183T131-A142 WeakPolarHBondContact CG2-O 3.44Å; Y132-A142 PolarHBondContact N-O 2.95Å; Y132-A142 PolarHBondContact O-N 3.42Å; A142-Y178 HydrophobicContact CB-CD2 3.98Å; A142-Y178 HydrophobicContact CB-CE2 3.86Å; A142-L183 HydrophobicContact CB-CD1 4.16Å; A142-L183 HydrophobicContact CB-CG 3.88Å
143S93Very high91.1Very high62 Ų6256.2 Ų56.243%0.43430%0.296SS..EExtended strand (participates in β ladder)trans-143139.3173.141.50000109.8L130 Q140L130-S143 CarbonylContact O-C 3.52Å; L130-S143 VanDerWaalsContact O-CA 3.32Å; L130-S143 WeakPolarHBondContact O-CA 3.49Å; Q140-S143 PolarHBondContact NE2-OG 2.82Å
144V93.6Very high91.2Very high36 Ų3658.2 Ų58.222%0.21831%0.305CS..EExtended strand (participates in β ladder)trans-143.1139.8177.467.90000110.7I129 L130 T146 Y176 L183I129-V144 WeakPolarHBondContact CA-O 3.47Å; L130-V144 HydrophobicContact CB-CG1 4.08Å; L130-V144 HydrophobicContact CD2-CG1 4.3Å; L130-V144 PolarHBondContact N-O 2.89Å; L130-V144 PolarHBondContact O-N 3.33Å; V144-T146 HydrophobicContact CG1-CG2 4.38Å; V144-T146 PolarHBondContact O-N 3.26Å; V144-Y176 HydrophobicContact CG1-CD1 3.84Å; V144-Y176 HydrophobicContact CG1-CE1 3.77Å; V144-Y176 HydrophobicContact CG2-CE1 3.98Å; V144-L183 HydrophobicContact CB-CB 4.08Å; V144-L183 HydrophobicContact CB-CD1 4.46Å; V144-L183 HydrophobicContact CG1-CB 3.72Å; V144-L183 HydrophobicContact CG1-CD1 3.76Å; V144-L183 HydrophobicContact CG1-CG 4.41Å
145K93.2Very high91.2Very high110 Ų11057.4 Ų57.448%0.47830%0.3SS..EExtended strand (participates in β ladder)trans-74.7117.6172.5-177.1155.4-173.9165.40109.4E127 S147E127-K145 WeakPolarHBondContact O-CD 3.45Å; E127-K145 WeakPolarHBondContact O-CE 3.32Å; E127-K145 WeakPolarHBondContact O-CG 3.36Å; K145-S147 WeakPolarHBondContact CE-O 3.39Å; K145-S147 VanDerWaalsContact CG-O 3.31Å; K145-S147 WeakPolarHBondContact CG-O 3.24Å
146T91.9Very high91.3Very high2 Ų258.2 Ų58.21%0.01231%0.305CS..  trans-90-28.4-177.151.60000112.8Q122 W128 L130 V144 V167 R174 Y176Q122-T146 PolarHBondContact NE2-OG1 3.04Å; Q122-T146 PolarHBondContact OE1-OG1 3.45Å; W128-T146 PolarHBondContact O-N 3.32Å; W128-T146 PolarHBondContact O-OG1 3.43Å; L130-T146 HydrophobicContact CB-CG2 3.42Å; L130-T146 VanDerWaalsContact CB-CG2 3.42Å; L130-T146 HydrophobicContact CD2-CG2 4.3Å; L130-T146 HydrophobicContact CG-CG2 4.49Å; V144-T146 HydrophobicContact CG1-CG2 4.38Å; V144-T146 PolarHBondContact O-N 3.26Å; T146-V167 HydrophobicContact CG2-CG1 4.17Å; T146-V167 HydrophobicContact CG2-CG2 4.31Å; T146-R174 PolarHBondContact O-NH1 3.36Å; T146-Y176 HydrophobicContact CG2-CE2 3.88Å
147S88.8Confident91.5Very high7 Ų754.1 Ų54.15%0.04929%0.286CS..  trans-146.2155.7179.1-176.60000112.2K145 S149 N150K145-S147 WeakPolarHBondContact CE-O 3.39Å; K145-S147 VanDerWaalsContact CG-O 3.31Å; K145-S147 WeakPolarHBondContact CG-O 3.24Å; S147-S149 PolarHBondContact OG-N 2.71Å; S147-N150 WeakPolarHBondContact CB-O 3.41Å; S147-N150 PolarHBondContact OG-N 3.45Å; S147-N150 PolarHBondContact OG-O 2.72Å
148T81.2Confident91.6Very high112 Ų11246.1 Ų46.169%0.68725%0.251SS*.SBendtrans-101.8-17.6174.846.40000114.1
149S84.8Confident91.8Very high80 Ų8046.8 Ų46.856%0.55926%0.256SS*.SBendtrans-157-44.1-168.948.50000111.9S147S147-S149 PolarHBondContact OG-N 2.71Å
150N89.8Confident91.7Very high43 Ų4347.4 Ų47.423%0.2326%0.261CS..SBendtrans-77.1132-172.1-66.122.3000110.9S147 T170 I172S147-N150 WeakPolarHBondContact CB-O 3.41Å; S147-N150 PolarHBondContact OG-N 3.45Å; S147-N150 PolarHBondContact OG-O 2.72Å; N150-T170 HydrophobicContact CB-CG2 4.39Å; N150-T170 VanDerWaalsContact CB-O 3.27Å; N150-T170 WeakPolarHBondContact CB-O 3.42Å; N150-T170 PolarHBondContact ND2-O 3.34Å; N150-I172 HydrophobicContact CB-CD1 4.03Å
151P91.8Very high91.7Very high44 Ų4446.4 Ų46.429%0.28626%0.257SS..PPolyproline II helixtrans-72132.5-177.327.4-33.7000112.6W128 G169 T170W128-P151 HydrophobicContact CH2-CB 3.51Å; W128-P151 VanDerWaalsContact CZ2-CA 3.44Å; W128-P151 HydrophobicContact CZ2-CB 3.59Å; W128-P151 HydrophobicContact CZ3-CB 4.31Å; P151-G169 WeakPolarHBondContact O-CA 3.23Å; P151-T170 WeakPolarHBondContact CG-OG1 3.44Å; P151-T170 PolarHBondContact O-N 3.36Å; P151-T170 VanDerWaalsContact O-N 3.09Å
152I94Very high91.7Very high2 Ų246 Ų461%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-80.7139.7168.8-54.7-53.2000108.8Q122 W128 I155 V167 V168 I172Q122-I152 HydrophobicContact CG-CB 4.01Å; Q122-I152 HydrophobicContact CG-CG2 3.79Å; W128-I152 HydrophobicContact CB-CG1 4.49Å; W128-I152 HydrophobicContact CD2-CG1 4.38Å; W128-I152 HydrophobicContact CE3-CB 3.76Å; W128-I152 HydrophobicContact CE3-CG1 3.84Å; W128-I152 HydrophobicContact CZ3-CB 4.01Å; W128-I152 VanDerWaalsContact CZ3-N 3.26Å; W128-I152 WeakPolarHBondContact CZ3-O 3.15Å; I152-I155 HydrophobicContact CG2-CG2 4.37Å; I152-V167 HydrophobicContact CD1-CG1 3.98Å; I152-V167 HydrophobicContact CG1-CG1 4.28Å; I152-V167 HydrophobicContact CG2-CG1 3.63Å; I152-V168 WeakPolarHBondContact CG2-O 3.37Å; I152-I172 HydrophobicContact CD1-CB 4.5Å; I152-I172 HydrophobicContact CD1-CD1 4.1Å; I152-I172 HydrophobicContact CD1-CG2 4.23Å
153K91.5Very high91.7Very high92 Ų9247.6 Ų47.640%0.427%0.266SS..EExtended strand (participates in β ladder)trans-107-44.5-177.6-63-62.7-174.3175.30112.6V168K153-V168 PolarHBondContact N-O 2.99Å
154Q94.2Very high91.7Very high51 Ų5145 Ų4524%0.23825%0.248CC..EExtended strand (participates in β ladder)trans-144.6144.6-171.6-166.7-176.9-15.500111.5V168 C198 H199Q154-V168 PolarHBondContact N-O 3.34Å; Q154-V168 VanDerWaalsContact N-O 3.15Å; Q154-V168 PolarHBondContact O-N 3.42Å; Q154-C198 VanDerWaalsContact OE1-CA 3.24Å; Q154-H199 PolarHBondContact NE2-O 3.5Å; Q154-H199 PolarHBondContact OE1-O 3.14Å
155I96.1Very high91.7Very high5 Ų543.3 Ų43.33%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-126.9157.616669.2175.8000110.7S109 A111 A120 Q122 L130 I152 C166 V167S109-I155 PolarHBondContact OG-N 3.29Å; A111-I155 HydrophobicContact CB-CG1 4.31Å; A120-I155 HydrophobicContact CB-CD1 3.85Å; Q122-I155 HydrophobicContact CB-CD1 4.01Å; Q122-I155 HydrophobicContact CB-CG2 3.83Å; Q122-I155 HydrophobicContact CG-CG2 4.3Å; L130-I155 HydrophobicContact CD1-CD1 3.95Å; L130-I155 HydrophobicContact CD1-CG2 4.43Å; I152-I155 HydrophobicContact CG2-CG2 4.37Å; I155-C166 VanDerWaalsContact CA-O 3.29Å; I155-C166 WeakPolarHBondContact CA-O 3.41Å; I155-V167 HydrophobicContact CG2-CB 4.48Å; I155-V167 HydrophobicContact CG2-CG1 4.25Å; I155-V167 HydrophobicContact CG2-CG2 4.08Å
156S95.1Very high91.8Very high18 Ų1838.1 Ų38.113%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-162.3153.2176.562.90000111I165 C166 H199 W201S156-I165 CarbonylContact O-C 3.49Å; S156-I165 WeakPolarHBondContact O-CA 3.41Å; S156-C166 PolarHBondContact N-O 3.17Å; S156-C166 VanDerWaalsContact N-O 3.08Å; S156-C166 PolarHBondContact O-N 3.22Å; S156-H199 PolarHBondContact OG-NE2 2.67Å; S156-W201 PolarHBondContact OG-NE1 3.33Å
157F95.5Very high91.9Very high15 Ų1538 Ų387%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-80.9154.2164.7-75.4-87000112.4A111 F112 A120 Y132 C162 L164 I165 W201A111-F157 HydrophobicContact CB-CD2 3.96Å; A111-F157 HydrophobicContact CB-CE2 4.32Å; A111-F157 WeakPolarHBondContact O-CE2 3.18Å; F112-F157 WeakPolarHBondContact O-CD2 3.29Å; A120-F157 HydrophobicContact CB-CD2 4.37Å; A120-F157 HydrophobicContact CB-CE2 3.41Å; A120-F157 VanDerWaalsContact CB-CE2 3.41Å; A120-F157 HydrophobicContact CB-CZ 3.6Å; Y132-F157 HydrophobicContact CD2-CE1 4.09Å; Y132-F157 AromaticContact CD2-CZ 3.78Å; Y132-F157 HydrophobicContact CD2-CZ 3.78Å; Y132-F157 AromaticContact CE2-CE1 3.56Å; Y132-F157 HydrophobicContact CE2-CE1 3.56Å; Y132-F157 AromaticContact CE2-CZ 3.53Å; Y132-F157 HydrophobicContact CE2-CZ 3.53Å; F157-C162 WeakPolarHBondContact CD1-O 3.46Å; F157-C162 VanDerWaalsContact CE1-O 3.22Å; F157-C162 WeakPolarHBondContact CE1-O 3.22Å; F157-L164 CarbonylContact C-O 3.55Å; F157-L164 WeakPolarHBondContact CA-O 3.47Å; F157-I165 HydrophobicContact CD1-CG1 3.69Å; F157-I165 HydrophobicContact CE1-CD1 3.76Å; F157-I165 HydrophobicContact CE1-CG1 3.4Å; F157-I165 VanDerWaalsContact CE1-CG1 3.4Å; F157-I165 HydrophobicContact CG-CG1 4.37Å; F157-I165 HydrophobicContact CZ-CD1 3.92Å; F157-I165 HydrophobicContact CZ-CG1 3.9Å; F157-W201 PolarHBondContact O-NE1 3Å; F157-W201 VanDerWaalsContact O-NE1 3.12Å
158S93.3Very high92.1Very high1 Ų137.7 Ų37.71%0.00721%0.212CC..  trans-59.9138.6159.6173.60000109.4P114 Q160 D161 L164 G204P114-S158 WeakPolarHBondContact CG-O 3.14Å; S158-Q160 PolarHBondContact O-N 2.74Å; S158-Q160 PolarHBondContact OG-N 3.4Å; S158-D161 PolarHBondContact OG-N 3.19Å; S158-L164 PolarHBondContact N-O 3.44Å; S158-G204 PolarHBondContact OG-O 2.93Å
159P91.2Very high92.6Very high68 Ų6832.3 Ų32.344%0.44218%0.179SC..SBendtrans-65.3-19178.225.8-34000113.2P114 W201 D203P114-P159 WeakPolarHBondContact CG-O 3.38Å; P159-W201 HydrophobicContact CG-CB 4.22Å; P159-D203 WeakPolarHBondContact CG-O 3.46Å
160Q89.7Confident93Very high145 Ų14530 Ų3068%0.67816%0.162SC*.SBendtrans-108.7-29.6-176.2-61.4179.95.800113.4S158S158-Q160 PolarHBondContact O-N 2.74Å; S158-Q160 PolarHBondContact OG-N 3.4Å
161D90.9Very high92.9Very high36 Ų3631.6 Ų31.619%0.19317%0.17CC..  trans-117.5105.3-175.5-176.8-1.6000111.6S158 T163 L164 R177S158-D161 PolarHBondContact OG-N 3.19Å; D161-T163 VanDerWaalsContact CG-OG1 3.22Å; D161-T163 PolarHBondContact O-N 3.43Å; D161-T163 WeakPolarHBondContact OD1-CA 3.13Å; D161-T163 WeakPolarHBondContact OD1-CB 3.26Å; D161-T163 PolarHBondContact OD1-N 3.45Å; D161-T163 PolarHBondContact OD1-OG1 3.15Å; D161-T163 PolarHBondContact OD2-OG1 2.69Å; D161-T163 VanDerWaalsContact OD2-OG1 3.13Å; D161-L164 HydrophobicContact CB-CB 3.9Å; D161-L164 PolarHBondContact O-N 3.47Å; D161-R177 IonicContact OD2-CZ 3.97Å; D161-R177 IonicContact OD2-NE 3.76Å; D161-R177 PolarHBondContact OD2-NE 3.08Å; D161-R177 IonicContact OD2-NH2 3.53Å; D161-R177 PolarHBondContact OD2-NH2 3.32Å
162C93.1Very high92.8Very high29 Ų2930 Ų3020%0.19616%0.159CC..THydrogen-bonded Turntrans-61.5-14176.1-65.40000113.9Y132 F157Y132-C162 PolarHBondContact OH-O 3.37Å; F157-C162 WeakPolarHBondContact CD1-O 3.46Å; F157-C162 VanDerWaalsContact CE1-O 3.22Å; F157-C162 WeakPolarHBondContact CE1-O 3.22Å
163T92.7Very high92.7Very high42 Ų4230.6 Ų30.626%0.25816%0.162SC..THydrogen-bonded Turntrans-90.9-14.4176.872.90000113.3D161 R177 Y178D161-T163 VanDerWaalsContact CG-OG1 3.22Å; D161-T163 PolarHBondContact O-N 3.43Å; D161-T163 WeakPolarHBondContact OD1-CA 3.13Å; D161-T163 WeakPolarHBondContact OD1-CB 3.26Å; D161-T163 PolarHBondContact OD1-N 3.45Å; D161-T163 PolarHBondContact OD1-OG1 3.15Å; D161-T163 PolarHBondContact OD2-OG1 2.69Å; D161-T163 VanDerWaalsContact OD2-OG1 3.13Å; T163-R177 CarbonylContact O-C 3.58Å; T163-R177 VanDerWaalsContact O-CA 3.31Å; T163-R177 WeakPolarHBondContact O-CA 3.3Å; T163-Y178 PolarHBondContact O-N 2.87Å
164L93.1Very high92.6Very high8 Ų830.9 Ų30.94%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-103.5123.9-171-170.264.8000111.6F157 S158 D161 L175 Y176 R177 Y186 W201F157-L164 CarbonylContact C-O 3.55Å; F157-L164 WeakPolarHBondContact CA-O 3.47Å; S158-L164 PolarHBondContact N-O 3.44Å; D161-L164 HydrophobicContact CB-CB 3.9Å; D161-L164 PolarHBondContact O-N 3.47Å; L164-L175 HydrophobicContact CD1-CB 3.94Å; L164-L175 HydrophobicContact CD1-CD1 4.29Å; L164-L175 HydrophobicContact CD2-CD1 4.45Å; L164-Y176 WeakPolarHBondContact CA-O 3.23Å; L164-R177 HydrophobicContact CD1-CB 4.23Å; L164-Y186 HydrophobicContact CD1-CD1 3.74Å; L164-Y186 HydrophobicContact CD1-CE1 4.47Å; L164-Y186 HydrophobicContact CD1-CG 4.36Å; L164-W201 HydrophobicContact CD2-CH2 3.9Å; L164-W201 HydrophobicContact CD2-CZ3 4.45Å; L164-W201 HydrophobicContact CG-CH2 4.19Å
165I94.7Very high92.5Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-123.5127.4-177.4-59.5165000109.2A120 L130 Y132 S156 F157 V167 L175 Y176 L183A120-I165 HydrophobicContact CB-CD1 3.92Å; A120-I165 HydrophobicContact CB-CG1 4.47Å; L130-I165 HydrophobicContact CD1-CG2 4.36Å; L130-I165 HydrophobicContact CD2-CD1 4.26Å; L130-I165 HydrophobicContact CD2-CG2 4.07Å; Y132-I165 HydrophobicContact CD2-CD1 4.01Å; S156-I165 CarbonylContact O-C 3.49Å; S156-I165 WeakPolarHBondContact O-CA 3.41Å; F157-I165 HydrophobicContact CD1-CG1 3.69Å; F157-I165 HydrophobicContact CE1-CD1 3.76Å; F157-I165 HydrophobicContact CE1-CG1 3.4Å; F157-I165 VanDerWaalsContact CE1-CG1 3.4Å; F157-I165 HydrophobicContact CG-CG1 4.37Å; F157-I165 HydrophobicContact CZ-CD1 3.92Å; F157-I165 HydrophobicContact CZ-CG1 3.9Å; I165-V167 HydrophobicContact CG2-CG2 4.2Å; I165-L175 CarbonylContact O-C 3.44Å; I165-L175 VanDerWaalsContact O-CA 3.3Å; I165-L175 WeakPolarHBondContact O-CA 3.47Å; I165-Y176 PolarHBondContact N-O 3.26Å; I165-Y176 PolarHBondContact O-N 2.69Å; I165-L183 HydrophobicContact CD1-CD2 4.13Å
166C94Very high92.4Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-89.7139.3166.8-170.10000110.7I155 S156 L175 W201 I207I155-C166 VanDerWaalsContact CA-O 3.29Å; I155-C166 WeakPolarHBondContact CA-O 3.41Å; S156-C166 PolarHBondContact N-O 3.17Å; S156-C166 VanDerWaalsContact N-O 3.08Å; S156-C166 PolarHBondContact O-N 3.22Å; C166-L175 HydrophobicContact CB-CD2 3.55Å; C166-W201 HydrophobicContact CB-CZ2 3.65Å; C166-I207 HydrophobicContact CB-CD1 4.31Å
167V94.5Very high92.3Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-130.3125.8178.9-178.40000108.7L130 T146 I152 I155 I165 I173 R174 Y176L130-V167 HydrophobicContact CD2-CG2 3.87Å; T146-V167 HydrophobicContact CG2-CG1 4.17Å; T146-V167 HydrophobicContact CG2-CG2 4.31Å; I152-V167 HydrophobicContact CD1-CG1 3.98Å; I152-V167 HydrophobicContact CG1-CG1 4.28Å; I152-V167 HydrophobicContact CG2-CG1 3.63Å; I155-V167 HydrophobicContact CG2-CB 4.48Å; I155-V167 HydrophobicContact CG2-CG1 4.25Å; I155-V167 HydrophobicContact CG2-CG2 4.08Å; I165-V167 HydrophobicContact CG2-CG2 4.2Å; V167-I173 WeakPolarHBondContact O-CA 3.45Å; V167-R174 PolarHBondContact N-O 2.88Å; V167-R174 PolarHBondContact O-N 3.39Å; V167-Y176 HydrophobicContact CB-CD2 4.5Å; V167-Y176 HydrophobicContact CB-CE2 4.35Å; V167-Y176 HydrophobicContact CG2-CD2 3.8Å; V167-Y176 HydrophobicContact CG2-CE2 4Å
168V93.4Very high92.3Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-134.1140.3-172176.20000111.8I152 K153 Q154 I172 I173 F196 H199I152-V168 WeakPolarHBondContact CG2-O 3.37Å; K153-V168 PolarHBondContact N-O 2.99Å; Q154-V168 PolarHBondContact N-O 3.34Å; Q154-V168 VanDerWaalsContact N-O 3.15Å; Q154-V168 PolarHBondContact O-N 3.42Å; V168-I172 CarbonylContact C-O 3.57Å; V168-I172 WeakPolarHBondContact CA-O 3.33Å; V168-I173 HydrophobicContact CG2-CB 4.4Å; V168-I173 HydrophobicContact CG2-CD1 4.26Å; V168-I173 HydrophobicContact CG2-CG1 3.99Å; V168-F196 HydrophobicContact CG1-CB 3.26Å; V168-F196 HydrophobicContact CG1-CG 4.2Å; V168-H199 WeakPolarHBondContact CB-ND1 3.27Å; V168-H199 HydrophobicContact CG1-CB 4.5Å; V168-H199 HydrophobicContact CG2-CB 3.9Å; V168-H199 WeakPolarHBondContact CG2-ND1 3.39Å
169G92.3Very high92.2Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-178.7-157.5175.900000113.4P151 D171 I172 F196P151-G169 WeakPolarHBondContact O-CA 3.23Å; G169-D171 PolarHBondContact O-N 3.38Å; G169-I172 PolarHBondContact N-O 3.35Å; G169-I172 PolarHBondContact O-N 3.36Å; G169-F196 CarbonylContact C-O 3.5Å; G169-F196 WeakPolarHBondContact CA-O 3.48Å; G169-F196 PolarHBondContact O-N 3.44Å
170T92.1Very high92.1Very high32 Ų3239 Ų3920%0.19619%0.192CC..BIsolated β-bridgetrans-60.6116.2-179.2-58.30000111.2N150 P151 I172 N195N150-T170 HydrophobicContact CB-CG2 4.39Å; N150-T170 VanDerWaalsContact CB-O 3.27Å; N150-T170 WeakPolarHBondContact CB-O 3.42Å; N150-T170 PolarHBondContact ND2-O 3.34Å; P151-T170 WeakPolarHBondContact CG-OG1 3.44Å; P151-T170 PolarHBondContact O-N 3.36Å; P151-T170 VanDerWaalsContact O-N 3.09Å; T170-I172 WeakPolarHBondContact O-CG1 3.39Å; T170-I172 PolarHBondContact O-N 3.1Å; T170-I172 VanDerWaalsContact O-N 3.1Å; T170-N195 VanDerWaalsContact CG2-OD1 3.22Å; T170-N195 WeakPolarHBondContact CG2-OD1 3.48Å
171D88.4Confident92Very high75 Ų7537.6 Ų37.640%0.40119%0.19SC..THydrogen-bonded Turntrans53.718-174.1-54.6-43.5000116G169 P193 R194 N195G169-D171 PolarHBondContact O-N 3.38Å; D171-P193 HydrophobicContact CB-CB 4.08Å; D171-R194 WeakPolarHBondContact CA-O 3.49Å; D171-R194 PolarHBondContact N-O 2.9Å; D171-N195 PolarHBondContact OD1-OD1 3.27Å
172I89Confident92Very high11 Ų1140.2 Ų40.26%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-133120-173.4-64.5173.7000110.5N150 I152 V168 G169 T170 R174N150-I172 HydrophobicContact CB-CD1 4.03Å; I152-I172 HydrophobicContact CD1-CB 4.5Å; I152-I172 HydrophobicContact CD1-CD1 4.1Å; I152-I172 HydrophobicContact CD1-CG2 4.23Å; V168-I172 CarbonylContact C-O 3.57Å; V168-I172 WeakPolarHBondContact CA-O 3.33Å; G169-I172 PolarHBondContact N-O 3.35Å; G169-I172 PolarHBondContact O-N 3.36Å; T170-I172 WeakPolarHBondContact O-CG1 3.39Å; T170-I172 PolarHBondContact O-N 3.1Å; T170-I172 VanDerWaalsContact O-N 3.1Å; I172-R174 HydrophobicContact CG2-CG 4.09Å
173I90.9Very high92Very high14 Ų1439.5 Ų39.57%0.07220%0.198CC..EExtended strand (participates in β ladder)trans-131.7120.2157.5179.6163.3000107.9V167 V168 I188 V191 F196 A209 V219V167-I173 WeakPolarHBondContact O-CA 3.45Å; V168-I173 HydrophobicContact CG2-CB 4.4Å; V168-I173 HydrophobicContact CG2-CD1 4.26Å; V168-I173 HydrophobicContact CG2-CG1 3.99Å; I173-I188 HydrophobicContact CG1-CD1 3.89Å; I173-I188 HydrophobicContact CG2-CG2 4.46Å; I173-V191 HydrophobicContact CG2-CB 4.07Å; I173-V191 HydrophobicContact CG2-CG1 3.83Å; I173-F196 HydrophobicContact CB-CD2 4.07Å; I173-F196 HydrophobicContact CB-CE2 4Å; I173-F196 HydrophobicContact CG2-CD2 4.13Å; I173-F196 HydrophobicContact CG2-CE2 3.54Å; I173-F196 HydrophobicContact CG2-CZ 3.9Å; I173-A209 HydrophobicContact CD1-CB 3.76Å; I173-V219 HydrophobicContact CD1-CG2 4.3Å
174R90.3Very high92Very high98 Ų9842.3 Ų42.337%0.3721%0.207SC..EExtended strand (participates in β ladder)trans-144146.4-176.1-69.8-179.4-179.4141.74.7111.2T146 V167 I172 Y176T146-R174 PolarHBondContact O-NH1 3.36Å; V167-R174 PolarHBondContact N-O 2.88Å; V167-R174 PolarHBondContact O-N 3.39Å; I172-R174 HydrophobicContact CG2-CG 4.09Å; R174-Y176 HydrophobicContact CB-CD2 4.46Å; R174-Y176 HydrophobicContact CB-CE2 3.87Å
175L91.8Very high91.7Very high14 Ų1446.7 Ų46.77%0.07323%0.234CC..EExtended strand (participates in β ladder)trans-101.2144.6162.9-56.7173.4000110.6L164 I165 C166 T185 Y186 I188 W201 I207L164-L175 HydrophobicContact CD1-CB 3.94Å; L164-L175 HydrophobicContact CD1-CD1 4.29Å; L164-L175 HydrophobicContact CD2-CD1 4.45Å; I165-L175 CarbonylContact O-C 3.44Å; I165-L175 VanDerWaalsContact O-CA 3.3Å; I165-L175 WeakPolarHBondContact O-CA 3.47Å; C166-L175 HydrophobicContact CB-CD2 3.55Å; L175-T185 CarbonylContact O-C 3.53Å; L175-T185 WeakPolarHBondContact O-CA 3.24Å; L175-Y186 WeakPolarHBondContact CB-O 3.49Å; L175-Y186 HydrophobicContact CD1-CD1 4.36Å; L175-Y186 PolarHBondContact O-N 3.35Å; L175-I188 HydrophobicContact CD1-CD1 4.24Å; L175-I188 HydrophobicContact CD1-CG1 4.1Å; L175-I188 HydrophobicContact CD2-CD1 4.37Å; L175-I188 HydrophobicContact CG-CD1 3.71Å; L175-I188 HydrophobicContact CG-CG1 3.9Å; L175-W201 HydrophobicContact CD2-CH2 3.85Å; L175-W201 HydrophobicContact CD2-CZ2 4.07Å; L175-I207 HydrophobicContact CD1-CD1 4.48Å; L175-I207 HydrophobicContact CD2-CD1 3.7Å; L175-I207 HydrophobicContact CG-CD1 4.5Å
176Y93.4Very high91.2Very high8 Ų851.9 Ų51.93%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-122.1130.4169.3-69.7-94.6000109L130 V144 T146 L164 I165 V167 R174 L183 K184 T185L130-Y176 HydrophobicContact CD2-CD2 4.16Å; L130-Y176 HydrophobicContact CD2-CG 4.25Å; V144-Y176 HydrophobicContact CG1-CD1 3.84Å; V144-Y176 HydrophobicContact CG1-CE1 3.77Å; V144-Y176 HydrophobicContact CG2-CE1 3.98Å; T146-Y176 HydrophobicContact CG2-CE2 3.88Å; L164-Y176 WeakPolarHBondContact CA-O 3.23Å; I165-Y176 PolarHBondContact N-O 3.26Å; I165-Y176 PolarHBondContact O-N 2.69Å; V167-Y176 HydrophobicContact CB-CD2 4.5Å; V167-Y176 HydrophobicContact CB-CE2 4.35Å; V167-Y176 HydrophobicContact CG2-CD2 3.8Å; V167-Y176 HydrophobicContact CG2-CE2 4Å; R174-Y176 HydrophobicContact CB-CD2 4.46Å; R174-Y176 HydrophobicContact CB-CE2 3.87Å; Y176-L183 HydrophobicContact CD1-CB 4.32Å; Y176-K184 CarbonylContact C-O 3.58Å; Y176-K184 WeakPolarHBondContact CA-O 3.38Å; Y176-T185 HydrophobicContact CD1-CG2 4.12Å; Y176-T185 HydrophobicContact CE1-CG2 3.57Å
177R93.5Very high89.9Confident78 Ų7853.8 Ų53.829%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-106.2129.6171.4-178.7167.9-88.9152.7-2.3110.1D161 T163 L164 K184 Y186D161-R177 IonicContact OD2-CZ 3.97Å; D161-R177 IonicContact OD2-NE 3.76Å; D161-R177 PolarHBondContact OD2-NE 3.08Å; D161-R177 IonicContact OD2-NH2 3.53Å; D161-R177 PolarHBondContact OD2-NH2 3.32Å; T163-R177 CarbonylContact O-C 3.58Å; T163-R177 VanDerWaalsContact O-CA 3.31Å; T163-R177 WeakPolarHBondContact O-CA 3.3Å; L164-R177 HydrophobicContact CD1-CB 4.23Å; R177-K184 PolarHBondContact N-O 3.48Å; R177-K184 PolarHBondContact O-N 3.21Å; R177-Y186 HydrophobicContact CB-CG 4.4Å; R177-Y186 PolarHBondContact NH1-OH 3.49Å; R177-Y186 VanDerWaalsContact NH1-OH 3.14Å
178Y95Very high88.6Confident39 Ų3954.8 Ų54.815%0.15328%0.279CS..EExtended strand (participates in β ladder)trans-78115.7172.4177.7-98.7000110.6Y132 L141 A142 T163 N181 N182 L183Y132-Y178 HydrophobicContact CD1-CD1 4.31Å; Y132-Y178 AromaticContact CD1-CD2 3.41Å; Y132-Y178 HydrophobicContact CD1-CD2 3.41Å; Y132-Y178 VanDerWaalsContact CD1-CD2 3.41Å; Y132-Y178 AromaticContact CD1-CE2 3.68Å; Y132-Y178 HydrophobicContact CD1-CE2 3.68Å; Y132-Y178 AromaticContact CD1-CG 3.75Å; Y132-Y178 HydrophobicContact CD1-CG 3.75Å; Y132-Y178 AromaticContact CE1-CD1 3.7Å; Y132-Y178 HydrophobicContact CE1-CD1 3.7Å; Y132-Y178 AromaticContact CE1-CD2 3.69Å; Y132-Y178 HydrophobicContact CE1-CD2 3.69Å; Y132-Y178 AromaticContact CE1-CE1 3.98Å; Y132-Y178 HydrophobicContact CE1-CE1 3.98Å; Y132-Y178 AromaticContact CE1-CE2 3.95Å; Y132-Y178 HydrophobicContact CE1-CE2 3.95Å; Y132-Y178 AromaticContact CE1-CG 3.54Å; Y132-Y178 HydrophobicContact CE1-CG 3.54Å; Y132-Y178 HydrophobicContact CG-CD2 4.35Å; L141-Y178 HydrophobicContact CB-CE2 3.95Å; A142-Y178 HydrophobicContact CB-CD2 3.98Å; A142-Y178 HydrophobicContact CB-CE2 3.86Å; T163-Y178 PolarHBondContact O-N 2.87Å; Y178-N181 PolarHBondContact OH-OD1 2.78Å; Y178-N181 VanDerWaalsContact OH-OD1 3.13Å; Y178-N182 WeakPolarHBondContact CA-O 3.27Å; Y178-L183 HydrophobicContact CD2-CD2 4.42Å
179A92.1Very high87Confident40 Ų4062.4 Ų62.433%0.33132%0.32SS..EExtended strand (participates in β ladder)trans-151146.7175.500000109.9N181 N182A179-N181 VanDerWaalsContact C-N 3.26Å; A179-N181 PolarHBondContact O-N 2.89Å; A179-N182 PolarHBondContact N-O 3.45Å; A179-N182 PolarHBondContact O-N 3.25Å
180E88.5Confident85.9Confident149 Ų14968.7 Ų68.770%0.69635%0.347SS*.THydrogen-bonded Turntrans54.140.2175.8-56.5168.8170.400113.4N182 K184E180-N182 PolarHBondContact O-N 3.44Å; E180-N182 PolarHBondContact O-ND2 3.28Å; E180-N182 VanDerWaalsContact O-ND2 3.12Å; E180-K184 IonicContact OE2-NZ 3.42Å; E180-K184 PolarHBondContact OE2-NZ 3.11Å
181N87.4Confident85.2Confident116 Ų11668.2 Ų68.262%0.6234%0.344SS*.THydrogen-bonded Turntrans57.423-174.7-54.6-33.1000115Y178 A179Y178-N181 PolarHBondContact OH-OD1 2.78Å; Y178-N181 VanDerWaalsContact OH-OD1 3.13Å; A179-N181 VanDerWaalsContact C-N 3.26Å; A179-N181 PolarHBondContact O-N 2.89Å
182N91.9Very high84.8Confident92 Ų9270.1 Ų70.149%0.49235%0.35SS..EExtended strand (participates in β ladder)trans-132.9158.4178.1-75.4-71000111.4Y178 A179 E180Y178-N182 WeakPolarHBondContact CA-O 3.27Å; A179-N182 PolarHBondContact N-O 3.45Å; A179-N182 PolarHBondContact O-N 3.25Å; E180-N182 PolarHBondContact O-N 3.44Å; E180-N182 PolarHBondContact O-ND2 3.28Å; E180-N182 VanDerWaalsContact O-ND2 3.12Å
183L93.1Very high84.5Confident13 Ų1374 Ų747%0.06838%0.376CS..EExtended strand (participates in β ladder)trans-100111.2169.7-72.5164.5000108.6L130 A142 V144 I165 Y176 Y178L130-L183 HydrophobicContact CD2-CD1 4.1Å; L130-L183 HydrophobicContact CG-CD1 4.14Å; A142-L183 HydrophobicContact CB-CD1 4.16Å; A142-L183 HydrophobicContact CB-CG 3.88Å; V144-L183 HydrophobicContact CB-CB 4.08Å; V144-L183 HydrophobicContact CB-CD1 4.46Å; V144-L183 HydrophobicContact CG1-CB 3.72Å; V144-L183 HydrophobicContact CG1-CD1 3.76Å; V144-L183 HydrophobicContact CG1-CG 4.41Å; I165-L183 HydrophobicContact CD1-CD2 4.13Å; Y176-L183 HydrophobicContact CD1-CB 4.32Å; Y178-L183 HydrophobicContact CD2-CD2 4.42Å
184K91.6Very high84.3Confident102 Ų10274.9 Ų74.944%0.44338%0.379SS..EExtended strand (participates in β ladder)trans-105.8141.4178.1-60.5-178.2-171.51770109.6Y176 R177 E180Y176-K184 CarbonylContact C-O 3.58Å; Y176-K184 WeakPolarHBondContact CA-O 3.38Å; R177-K184 PolarHBondContact N-O 3.48Å; R177-K184 PolarHBondContact O-N 3.21Å; E180-K184 IonicContact OE2-NZ 3.42Å; E180-K184 PolarHBondContact OE2-NZ 3.11Å
185T88.3Confident84.3Confident100 Ų10072.8 Ų72.861%0.61338%0.375SS*.EExtended strand (participates in β ladder)trans-61.8136.5174.248.20000110.6L175 Y176L175-T185 CarbonylContact O-C 3.53Å; L175-T185 WeakPolarHBondContact O-CA 3.24Å; Y176-T185 HydrophobicContact CD1-CG2 4.12Å; Y176-T185 HydrophobicContact CE1-CG2 3.57Å
186Y82.9Confident84.4Confident109 Ų10972.1 Ų72.143%0.42737%0.371SS..EExtended strand (participates in β ladder)trans-127.6137.7-177.6-174.6-109.3000110.4L164 L175 R177 I188L164-Y186 HydrophobicContact CD1-CD1 3.74Å; L164-Y186 HydrophobicContact CD1-CE1 4.47Å; L164-Y186 HydrophobicContact CD1-CG 4.36Å; L175-Y186 WeakPolarHBondContact CB-O 3.49Å; L175-Y186 HydrophobicContact CD1-CD1 4.36Å; L175-Y186 PolarHBondContact O-N 3.35Å; R177-Y186 HydrophobicContact CB-CG 4.4Å; R177-Y186 PolarHBondContact NH1-OH 3.49Å; R177-Y186 VanDerWaalsContact NH1-OH 3.14Å; Y186-I188 PolarHBondContact O-N 2.84Å
187G67.3Low84.3Confident39 Ų3974.1 Ų74.140%0.40238%0.382SS..SBendtrans36.646.3157.100000119.5G222G187-G222 WeakPolarHBondContact O-CA 3.49Å
188I67.3Low84.3Confident21 Ų2170.9 Ų70.911%0.10837%0.371CS..  trans-142.397.9157.9-60.6-170.2000107.7I173 L175 Y186 V191 V219I173-I188 HydrophobicContact CG1-CD1 3.89Å; I173-I188 HydrophobicContact CG2-CG2 4.46Å; L175-I188 HydrophobicContact CD1-CD1 4.24Å; L175-I188 HydrophobicContact CD1-CG1 4.1Å; L175-I188 HydrophobicContact CD2-CD1 4.37Å; L175-I188 HydrophobicContact CG-CD1 3.71Å; L175-I188 HydrophobicContact CG-CG1 3.9Å; Y186-I188 PolarHBondContact O-N 2.84Å; I188-V191 HydrophobicContact CG2-CB 4.22Å; I188-V191 HydrophobicContact CG2-CG2 3.92Å; I188-V219 HydrophobicContact CD1-CG1 4.48Å
189N59.8Low84.3Confident161 Ų16169.1 Ų69.186%0.86136%0.364SS*.  trans-124.9-1.1-179.4-74.5-3.5000113.7
190K68.3Low84.4Confident132 Ų13269.6 Ų69.657%0.57436%0.361SS*.SBendtrans-127.9-2-169.5-71.1-175.7-179.7173.10115.9E223K190-E223 HydrophobicContact CD-CG 4.1Å; K190-E223 WeakPolarHBondContact CD-OE1 3.46Å; K190-E223 WeakPolarHBondContact CE-OE1 3.19Å; K190-E223 IonicContact NZ-OE1 3.06Å; K190-E223 PolarHBondContact NZ-OE1 3.03Å; K190-E223 IonicContact NZ-OE2 2.92Å
191V77.8Confident84.6Confident21 Ų2163.3 Ų63.313%0.12733%0.331CS..SBendtrans-81.8131177.1-1770000108.9I173 I188 F196 V219I173-V191 HydrophobicContact CG2-CB 4.07Å; I173-V191 HydrophobicContact CG2-CG1 3.83Å; I188-V191 HydrophobicContact CG2-CB 4.22Å; I188-V191 HydrophobicContact CG2-CG2 3.92Å; V191-F196 HydrophobicContact CG1-CZ 3.94Å; V191-V219 HydrophobicContact CG1-CG2 4.45Å; V191-V219 HydrophobicContact CG2-CG1 3.93Å; V191-V219 HydrophobicContact CG2-CG2 3.72Å
192E80.5Confident84.7Confident115 Ų11560.4 Ų60.454%0.53732%0.315SS..PPolyproline II helixtrans-61.5138.1178.1-68.3-170.9156.500111.5R194E192-R194 PolarHBondContact O-N 3.37Å; E192-R194 IonicContact OE2-CZ 2.64Å; E192-R194 IonicContact OE2-NE 3.29Å; E192-R194 PolarHBondContact OE2-NE 2.8Å; E192-R194 IonicContact OE2-NH2 3.77Å; E192-R194 PolarHBondContact OE2-NH2 3.07Å
193P82.4Confident84.3Confident94 Ų9458.5 Ų58.561%0.6131%0.305SS*.PPolyproline II helixtrans-65.7122.517427.5-32.9000109.9D171D171-P193 HydrophobicContact CB-CB 4.08Å
194R87.3Confident83.7Confident32 Ų3258.2 Ų58.212%0.12131%0.305CS..  trans-144.2164.2175.3-61.2-172.3-172.3160.39.1109.7D171 E192 F196 T211 E227D171-R194 WeakPolarHBondContact CA-O 3.49Å; D171-R194 PolarHBondContact N-O 2.9Å; E192-R194 PolarHBondContact O-N 3.37Å; E192-R194 IonicContact OE2-CZ 2.64Å; E192-R194 IonicContact OE2-NE 3.29Å; E192-R194 PolarHBondContact OE2-NE 2.8Å; E192-R194 IonicContact OE2-NH2 3.77Å; E192-R194 PolarHBondContact OE2-NH2 3.07Å; R194-F196 HydrophobicContact CB-CE2 4.2Å; R194-F196 HydrophobicContact CB-CZ 4.22Å; R194-F196 WeakPolarHBondContact O-CD2 3.49Å; R194-F196 WeakPolarHBondContact O-CE2 3.49Å; R194-F196 PolarHBondContact O-N 3.31Å; R194-T211 HydrophobicContact CB-CG2 4.15Å; R194-E227 IonicContact CZ-OE1 2.73Å; R194-E227 VanDerWaalsContact CZ-OE1 3.27Å; R194-E227 IonicContact CZ-OE2 2.7Å; R194-E227 IonicContact NH1-OE1 3.56Å; R194-E227 PolarHBondContact NH1-OE1 3.41Å; R194-E227 VanDerWaalsContact NH1-OE1 3.14Å; R194-E227 IonicContact NH1-OE2 2.96Å; R194-E227 PolarHBondContact NH1-OE2 3.5Å; R194-E227 IonicContact NH2-OE1 3.45Å; R194-E227 PolarHBondContact NH2-OE1 3.08Å; R194-E227 IonicContact NH2-OE2 3.21Å; R194-E227 PolarHBondContact NH2-OE2 3.12Å; R194-E227 VanDerWaalsContact NH2-OE2 3.16Å
195N91Very high83.3Confident53 Ų5358.5 Ų58.528%0.28331%0.308SS..BIsolated β-bridgetrans-72.291.2172.3-74.2-9.3000110.8T170 D171 T211 E212T170-N195 VanDerWaalsContact CG2-OD1 3.22Å; T170-N195 WeakPolarHBondContact CG2-OD1 3.48Å; D171-N195 PolarHBondContact OD1-OD1 3.27Å; N195-T211 CarbonylContact O-C 3.51Å; N195-T211 VanDerWaalsContact O-CA 3.28Å; N195-T211 WeakPolarHBondContact O-CA 3.47Å; N195-E212 HydrophobicContact CB-CB 3.81Å; N195-E212 WeakPolarHBondContact CB-OE2 3.44Å; N195-E212 PolarHBondContact ND2-OE2 3.26Å; N195-E212 PolarHBondContact O-N 3.1Å
196F92.6Very high83.4Confident0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-82.9128.4173.1-60.8-79000110.3V168 G169 I173 V191 R194 A209 G210 T211 I217V168-F196 HydrophobicContact CG1-CB 3.26Å; V168-F196 HydrophobicContact CG1-CG 4.2Å; G169-F196 CarbonylContact C-O 3.5Å; G169-F196 WeakPolarHBondContact CA-O 3.48Å; G169-F196 PolarHBondContact O-N 3.44Å; I173-F196 HydrophobicContact CB-CD2 4.07Å; I173-F196 HydrophobicContact CB-CE2 4Å; I173-F196 HydrophobicContact CG2-CD2 4.13Å; I173-F196 HydrophobicContact CG2-CE2 3.54Å; I173-F196 HydrophobicContact CG2-CZ 3.9Å; V191-F196 HydrophobicContact CG1-CZ 3.94Å; R194-F196 HydrophobicContact CB-CE2 4.2Å; R194-F196 HydrophobicContact CB-CZ 4.22Å; R194-F196 WeakPolarHBondContact O-CD2 3.49Å; R194-F196 WeakPolarHBondContact O-CE2 3.49Å; R194-F196 PolarHBondContact O-N 3.31Å; F196-A209 HydrophobicContact CD1-CB 3.54Å; F196-A209 HydrophobicContact CE1-CB 3.84Å; F196-A209 HydrophobicContact CG-CB 4.44Å; F196-G210 WeakPolarHBondContact CA-O 3.34Å; F196-T211 HydrophobicContact CD1-CG2 3.64Å; F196-T211 HydrophobicContact CE1-CG2 3.65Å; F196-I217 HydrophobicContact CE1-CD1 3.89Å; F196-I217 HydrophobicContact CE1-CG1 4.47Å; F196-I217 HydrophobicContact CZ-CD1 4.18Å
197L92.2Very high83.8Confident51 Ų5150.3 Ų50.327%0.26727%0.266SS..EExtended strand (participates in β ladder)trans-100.6-35.2-176.5-62.4-178.9000112.3G210 E212 I253L197-G210 PolarHBondContact N-O 2.93Å; L197-E212 HydrophobicContact CD1-CB 4.13Å; L197-E212 HydrophobicContact CD1-CG 4.46Å; L197-E212 HydrophobicContact CG-CB 4.32Å; L197-I253 WeakPolarHBondContact CD1-O 3.41Å
198C93.1Very high85Confident9 Ų948.4 Ų48.46%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-151.4162.918058.40000111.1Q154 A209 G210Q154-C198 VanDerWaalsContact OE1-CA 3.24Å; C198-A209 WeakPolarHBondContact O-CA 3.48Å; C198-G210 PolarHBondContact O-N 3.04Å
199H94.6Very high86.3Confident2 Ų247.4 Ų47.41%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-147.7161.817071.9-78.7000111.8Q154 S156 V168 I207 V208 A209Q154-H199 PolarHBondContact NE2-O 3.5Å; Q154-H199 PolarHBondContact OE1-O 3.14Å; S156-H199 PolarHBondContact OG-NE2 2.67Å; V168-H199 WeakPolarHBondContact CB-ND1 3.27Å; V168-H199 HydrophobicContact CG1-CB 4.5Å; V168-H199 HydrophobicContact CG2-CB 3.9Å; V168-H199 WeakPolarHBondContact CG2-ND1 3.39Å; H199-I207 HydrophobicContact CB-CG2 4.21Å; H199-V208 CarbonylContact C-O 3.6Å; H199-V208 WeakPolarHBondContact CA-O 3.39Å; H199-V208 VanDerWaalsContact CB-O 3.3Å; H199-V208 WeakPolarHBondContact CB-O 3.49Å; H199-A209 HydrophobicContact CB-CB 4.14Å
200N94Very high87.9Confident50 Ų5039.8 Ų39.827%0.26720%0.201SC..EExtended strand (participates in β ladder)trans-145.9152.2172.3-147.4-30.8000111I207 V208 L256 S258N200-I207 WeakPolarHBondContact O-CA 3.27Å; N200-V208 PolarHBondContact N-O 3.48Å; N200-V208 PolarHBondContact O-N 3.42Å; N200-L256 HydrophobicContact CB-CB 4.16Å; N200-L256 PolarHBondContact ND2-O 2.79Å; N200-S258 PolarHBondContact OD1-OG 3.47Å
201W93Very high89.1Confident17 Ų1733.5 Ų33.56%0.06417%0.174CC..EExtended strand (participates in β ladder)trans-89.2142.2174.2-64.482000109.6S156 F157 P159 L164 C166 L175 G204 I207 S258S156-W201 PolarHBondContact OG-NE1 3.33Å; F157-W201 PolarHBondContact O-NE1 3Å; F157-W201 VanDerWaalsContact O-NE1 3.12Å; P159-W201 HydrophobicContact CG-CB 4.22Å; L164-W201 HydrophobicContact CD2-CH2 3.9Å; L164-W201 HydrophobicContact CD2-CZ3 4.45Å; L164-W201 HydrophobicContact CG-CH2 4.19Å; C166-W201 HydrophobicContact CB-CZ2 3.65Å; L175-W201 HydrophobicContact CD2-CH2 3.85Å; L175-W201 HydrophobicContact CD2-CZ2 4.07Å; W201-G204 WeakPolarHBondContact CZ3-O 3.23Å; W201-I207 HydrophobicContact CD2-CD1 4.29Å; W201-I207 HydrophobicContact CD2-CG1 3.73Å; W201-I207 HydrophobicContact CE3-CD1 3.99Å; W201-I207 HydrophobicContact CE3-CG1 3.43Å; W201-I207 VanDerWaalsContact CE3-CG1 3.43Å; W201-I207 HydrophobicContact CG-CG1 4.46Å; W201-I207 HydrophobicContact CH2-CD1 3.63Å; W201-I207 HydrophobicContact CH2-CG1 4.05Å; W201-I207 HydrophobicContact CZ2-CD1 3.94Å; W201-I207 HydrophobicContact CZ2-CG1 4.3Å; W201-I207 HydrophobicContact CZ3-CD1 3.65Å; W201-I207 HydrophobicContact CZ3-CG1 3.6Å; W201-S258 PolarHBondContact O-OG 2.81Å
202I89.3Confident89.7Confident56 Ų5637.1 Ų37.129%0.28719%0.189SC..SBendtrans-95.9-46.3168.6-63.1156.5000109.2K206 V208 L218 Y326I202-K206 HydrophobicContact CB-CB 4.06Å; I202-K206 HydrophobicContact CD1-CB 4.26Å; I202-K206 PolarHBondContact N-O 3.05Å; I202-V208 HydrophobicContact CD1-CG2 3.39Å; I202-V208 HydrophobicContact CG1-CG2 3.99Å; I202-L218 HydrophobicContact CD1-CD1 3.57Å; I202-Y326 VanDerWaalsContact CD1-OH 3.27Å; I202-Y326 WeakPolarHBondContact CD1-OH 3.4Å
203D82.9Confident90.1Very high52 Ų5234.4 Ų34.428%0.27818%0.178SC..SBendtrans-141.9-161.6176.261.742.4000109.9P159 E205 K206P159-D203 WeakPolarHBondContact CG-O 3.46Å; D203-E205 VanDerWaalsContact C-N 3.3Å; D203-E205 PolarHBondContact O-N 3.2Å; D203-E205 WeakPolarHBondContact OD1-CA 3.37Å; D203-E205 PolarHBondContact OD1-N 3.46Å; D203-K206 WeakPolarHBondContact OD1-CB 3.24Å; D203-K206 PolarHBondContact OD1-N 2.81Å; D203-K206 VanDerWaalsContact OD2-CD 3.26Å; D203-K206 WeakPolarHBondContact OD2-CD 3.21Å; D203-K206 WeakPolarHBondContact OD2-CE 3.43Å; D203-K206 WeakPolarHBondContact OD2-CG 3.38Å
204G81.8Confident90.4Very high7 Ų730 Ų307%0.07215%0.15CC..SBendtrans-71.1-18.7179.600000115.4S158 W201S158-G204 PolarHBondContact OG-O 2.93Å; W201-G204 WeakPolarHBondContact CZ3-O 3.23Å
205E83.6Confident90.5Very high107 Ų10732.1 Ų32.150%0.516%0.158SC..SBendtrans-120.7-19.9-171.6-62.6-175.6-178.700113.5D203 E220 N221D203-E205 VanDerWaalsContact C-N 3.3Å; D203-E205 PolarHBondContact O-N 3.2Å; D203-E205 WeakPolarHBondContact OD1-CA 3.37Å; D203-E205 PolarHBondContact OD1-N 3.46Å; E205-E220 WeakPolarHBondContact O-CA 3.46Å; E205-N221 PolarHBondContact O-N 3.41Å; E205-N221 VanDerWaalsContact O-N 3.14Å; E205-N221 PolarHBondContact OE2-ND2 3.4Å; E205-N221 PolarHBondContact OE2-OD1 3.32Å
206K88.8Confident90.6Very high34 Ų3429.6 Ų29.615%0.14815%0.145CC..EExtended strand (participates in β ladder)trans-105.5128.9-178.3-63.8-173.6-165.3-154.80113.2I202 D203 L218 V219 E220I202-K206 HydrophobicContact CB-CB 4.06Å; I202-K206 HydrophobicContact CD1-CB 4.26Å; I202-K206 PolarHBondContact N-O 3.05Å; D203-K206 WeakPolarHBondContact OD1-CB 3.24Å; D203-K206 PolarHBondContact OD1-N 2.81Å; D203-K206 VanDerWaalsContact OD2-CD 3.26Å; D203-K206 WeakPolarHBondContact OD2-CD 3.21Å; D203-K206 WeakPolarHBondContact OD2-CE 3.43Å; D203-K206 WeakPolarHBondContact OD2-CG 3.38Å; K206-L218 HydrophobicContact CB-CD1 4.33Å; K206-V219 WeakPolarHBondContact CA-O 3.23Å; K206-E220 WeakPolarHBondContact CE-OE2 3.45Å; K206-E220 HydrophobicContact CG-CB 4.09Å; K206-E220 HydrophobicContact CG-CG 3.74Å; K206-E220 IonicContact NZ-OE2 3.02Å; K206-E220 PolarHBondContact NZ-OE2 3.3Å
207I92.3Very high90.5Very high3 Ų329.7 Ų29.72%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-128.1137.5178.2-57165.7000108.6C166 L175 H199 N200 W201 V219C166-I207 HydrophobicContact CB-CD1 4.31Å; L175-I207 HydrophobicContact CD1-CD1 4.48Å; L175-I207 HydrophobicContact CD2-CD1 3.7Å; L175-I207 HydrophobicContact CG-CD1 4.5Å; H199-I207 HydrophobicContact CB-CG2 4.21Å; N200-I207 WeakPolarHBondContact O-CA 3.27Å; W201-I207 HydrophobicContact CD2-CD1 4.29Å; W201-I207 HydrophobicContact CD2-CG1 3.73Å; W201-I207 HydrophobicContact CE3-CD1 3.99Å; W201-I207 HydrophobicContact CE3-CG1 3.43Å; W201-I207 VanDerWaalsContact CE3-CG1 3.43Å; W201-I207 HydrophobicContact CG-CG1 4.46Å; W201-I207 HydrophobicContact CH2-CD1 3.63Å; W201-I207 HydrophobicContact CH2-CG1 4.05Å; W201-I207 HydrophobicContact CZ2-CD1 3.94Å; W201-I207 HydrophobicContact CZ2-CG1 4.3Å; W201-I207 HydrophobicContact CZ3-CD1 3.65Å; W201-I207 HydrophobicContact CZ3-CG1 3.6Å; I207-V219 PolarHBondContact N-O 3.04Å; I207-V219 PolarHBondContact O-N 3.19Å
208V93.4Very high90.4Very high0 Ų027.2 Ų27.20%013%0.132CC..EExtended strand (participates in β ladder)trans-105.9131.8165.9-171.20000109.1H199 N200 I202 W216 I217 L218 L256 L263H199-V208 CarbonylContact C-O 3.6Å; H199-V208 WeakPolarHBondContact CA-O 3.39Å; H199-V208 VanDerWaalsContact CB-O 3.3Å; H199-V208 WeakPolarHBondContact CB-O 3.49Å; N200-V208 PolarHBondContact N-O 3.48Å; N200-V208 PolarHBondContact O-N 3.42Å; I202-V208 HydrophobicContact CD1-CG2 3.39Å; I202-V208 HydrophobicContact CG1-CG2 3.99Å; V208-W216 HydrophobicContact CG1-CB 3.9Å; V208-W216 HydrophobicContact CG1-CD2 4.26Å; V208-W216 HydrophobicContact CG1-CE3 3.74Å; V208-W216 HydrophobicContact CG1-CG 4.4Å; V208-I217 WeakPolarHBondContact CA-O 3.45Å; V208-L218 HydrophobicContact CG2-CD1 4Å; V208-L256 HydrophobicContact CB-CD1 4.45Å; V208-L256 HydrophobicContact CG1-CD1 4.12Å; V208-L256 HydrophobicContact CG1-CD2 4.45Å; V208-L263 HydrophobicContact CB-CD1 4.27Å; V208-L263 HydrophobicContact CB-CD2 4.48Å; V208-L263 HydrophobicContact CG1-CD1 4.43Å; V208-L263 HydrophobicContact CG1-CD2 3.91Å; V208-L263 HydrophobicContact CG2-CD1 4.08Å; V208-L263 HydrophobicContact CG2-CD2 4.16Å
209A93.7Very high90.2Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-121.1135.3174.300000111I173 F196 C198 H199 W216 I217I173-A209 HydrophobicContact CD1-CB 3.76Å; F196-A209 HydrophobicContact CD1-CB 3.54Å; F196-A209 HydrophobicContact CE1-CB 3.84Å; F196-A209 HydrophobicContact CG-CB 4.44Å; C198-A209 WeakPolarHBondContact O-CA 3.48Å; H199-A209 HydrophobicContact CB-CB 4.14Å; A209-W216 CarbonylContact O-C 3.55Å; A209-W216 WeakPolarHBondContact O-CA 3.4Å; A209-I217 PolarHBondContact N-O 3.38Å; A209-I217 PolarHBondContact O-N 3.17Å
210G93.6Very high89.8Confident0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-103.6135.3-177.700000111.4F196 L197 C198F196-G210 WeakPolarHBondContact CA-O 3.34Å; L197-G210 PolarHBondContact N-O 2.93Å; C198-G210 PolarHBondContact O-N 3.04Å
211T93.2Very high89.1Confident0 Ų030.6 Ų30.60%015%0.149CC..EExtended strand (participates in β ladder)trans-109158.4-173.9650000113.9R194 N195 F196 D213 G214 R215 I217 I253R194-T211 HydrophobicContact CB-CG2 4.15Å; N195-T211 CarbonylContact O-C 3.51Å; N195-T211 VanDerWaalsContact O-CA 3.28Å; N195-T211 WeakPolarHBondContact O-CA 3.47Å; F196-T211 HydrophobicContact CD1-CG2 3.64Å; F196-T211 HydrophobicContact CE1-CG2 3.65Å; T211-D213 VanDerWaalsContact CB-OD1 3.24Å; T211-D213 WeakPolarHBondContact CB-OD1 3.44Å; T211-D213 PolarHBondContact O-N 3.48Å; T211-D213 PolarHBondContact OG1-OD1 3.49Å; T211-G214 PolarHBondContact O-N 2.8Å; T211-R215 PolarHBondContact N-O 3.23Å; T211-R215 PolarHBondContact OG1-N 3.05Å; T211-R215 VanDerWaalsContact OG1-N 3.11Å; T211-R215 PolarHBondContact OG1-O 3.24Å; T211-I217 HydrophobicContact CG2-CD1 4.26Å; T211-I253 PolarHBondContact O-N 2.91Å
212E91.4Very high88.1Confident97 Ų9730.2 Ų30.245%0.45315%0.15SC..THydrogen-bonded Turntrans-63.2-25.8173.7-168.2179.3-17500113.4N195 L197 G214 S252N195-E212 HydrophobicContact CB-CB 3.81Å; N195-E212 WeakPolarHBondContact CB-OE2 3.44Å; N195-E212 PolarHBondContact ND2-OE2 3.26Å; N195-E212 PolarHBondContact O-N 3.1Å; L197-E212 HydrophobicContact CD1-CB 4.13Å; L197-E212 HydrophobicContact CD1-CG 4.46Å; L197-E212 HydrophobicContact CG-CB 4.32Å; E212-G214 VanDerWaalsContact C-N 3.27Å; E212-G214 PolarHBondContact O-N 3.46Å; E212-S252 WeakPolarHBondContact O-CA 3.26Å; E212-S252 WeakPolarHBondContact O-CB 3.3Å
213D88.4Confident87.7Confident58 Ų5832.1 Ų32.131%0.3116%0.158SC..THydrogen-bonded Turntrans-8610.1177.379.3-49.6000114.4T211 R215 T251T211-D213 VanDerWaalsContact CB-OD1 3.24Å; T211-D213 WeakPolarHBondContact CB-OD1 3.44Å; T211-D213 PolarHBondContact O-N 3.48Å; T211-D213 PolarHBondContact OG1-OD1 3.49Å; D213-R215 IonicContact OD2-CZ 2.71Å; D213-R215 IonicContact OD2-NE 2.88Å; D213-R215 PolarHBondContact OD2-NE 3.36Å; D213-R215 IonicContact OD2-NH2 3.22Å; D213-R215 PolarHBondContact OD2-NH2 2.79Å; D213-T251 CarbonylContact C-O 3.53Å
214G87.6Confident87.7Confident1 Ų132 Ų321%0.0116%0.161CC..SBendtrans88.519.2170.800000114.9T211 E212 N229 V230 T251T211-G214 PolarHBondContact O-N 2.8Å; E212-G214 VanDerWaalsContact C-N 3.27Å; E212-G214 PolarHBondContact O-N 3.46Å; G214-N229 PolarHBondContact O-OD1 3.29Å; G214-V230 WeakPolarHBondContact O-CB 3.36Å; G214-V230 PolarHBondContact O-N 2.76Å; G214-T251 WeakPolarHBondContact CA-O 3.49Å; G214-T251 PolarHBondContact N-O 3.46Å; G214-T251 VanDerWaalsContact N-O 3.13Å
215R90.9Very high87.7Confident78 Ų7837 Ų3729%0.29418%0.181SC..EExtended strand (participates in β ladder)trans-111.4145.6179-49-171.4-153.9-172.52.4112.1T211 D213 E227 Y228 N229 I253T211-R215 PolarHBondContact N-O 3.23Å; T211-R215 PolarHBondContact OG1-N 3.05Å; T211-R215 VanDerWaalsContact OG1-N 3.11Å; T211-R215 PolarHBondContact OG1-O 3.24Å; D213-R215 IonicContact OD2-CZ 2.71Å; D213-R215 IonicContact OD2-NE 2.88Å; D213-R215 PolarHBondContact OD2-NE 3.36Å; D213-R215 IonicContact OD2-NH2 3.22Å; D213-R215 PolarHBondContact OD2-NH2 2.79Å; R215-E227 IonicContact NH1-OE2 3.74Å; R215-E227 PolarHBondContact NH1-OE2 3.15Å; R215-Y228 CarbonylContact C-O 3.55Å; R215-Y228 WeakPolarHBondContact CA-O 3.44Å; R215-N229 HydrophobicContact CG-CB 4.05Å; R215-I253 VanDerWaalsContact O-CD1 3.29Å; R215-I253 WeakPolarHBondContact O-CD1 3.46Å
216W91.7Very high87.7Confident0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-108140.2162.162.5-97.6000109.5V208 A209 L218 L226 E227 Y228 I253 L263 V265 F275 Y326V208-W216 HydrophobicContact CG1-CB 3.9Å; V208-W216 HydrophobicContact CG1-CD2 4.26Å; V208-W216 HydrophobicContact CG1-CE3 3.74Å; V208-W216 HydrophobicContact CG1-CG 4.4Å; A209-W216 CarbonylContact O-C 3.55Å; A209-W216 WeakPolarHBondContact O-CA 3.4Å; W216-L218 HydrophobicContact CZ3-CB 4.28Å; W216-L226 HydrophobicContact CH2-CD2 3.7Å; W216-L226 HydrophobicContact CZ2-CD2 4.41Å; W216-L226 HydrophobicContact CZ3-CD2 3.76Å; W216-E227 WeakPolarHBondContact O-CA 3.28Å; W216-Y228 VanDerWaalsContact CE2-CB 3.44Å; W216-Y228 AromaticContact CE2-CG 3.98Å; W216-Y228 HydrophobicContact CZ2-CD2 4.47Å; W216-Y228 HydrophobicContact CZ2-CG 4.07Å; W216-Y228 PolarHBondContact N-O 3.4Å; W216-Y228 AromaticContact NE1-CD1 3.69Å; W216-Y228 AromaticContact NE1-CG 3.79Å; W216-Y228 PolarHBondContact O-N 3.45Å; W216-I253 HydrophobicContact CB-CD1 3.73Å; W216-I253 HydrophobicContact CG-CD1 4.31Å; W216-I253 VanDerWaalsContact N-CD1 3.33Å; W216-L263 HydrophobicContact CD2-CD2 3.95Å; W216-L263 HydrophobicContact CE3-CD2 4.05Å; W216-L263 HydrophobicContact CG-CD2 4.46Å; W216-L263 HydrophobicContact CH2-CD2 4.33Å; W216-L263 HydrophobicContact CZ2-CD2 4.25Å; W216-L263 HydrophobicContact CZ3-CD2 4.23Å; W216-V265 HydrophobicContact CG-CG2 4.4Å; W216-F275 AromaticContact CZ2-CD1 4Å; W216-F275 HydrophobicContact CZ2-CD1 4Å; W216-F275 HydrophobicContact CZ2-CD2 4.32Å; W216-F275 HydrophobicContact CZ2-CE1 4.29Å; W216-F275 HydrophobicContact CZ2-CG 4.02Å; W216-F275 AromaticContact NE1-CD2 3.84Å; W216-F275 AromaticContact NE1-CE2 3.42Å; W216-F275 AromaticContact NE1-CZ 3.54Å; W216-Y326 AromaticContact CH2-CD2 3.93Å; W216-Y326 HydrophobicContact CH2-CD2 3.93Å; W216-Y326 AromaticContact CH2-CG 3.94Å; W216-Y326 HydrophobicContact CH2-CG 3.94Å
217I91.2Very high87.5Confident1 Ų135.6 Ų35.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-120.7122.5-175.7-50.5-172.1000108.2F196 V208 A209 T211 V219 L226 E227F196-I217 HydrophobicContact CE1-CD1 3.89Å; F196-I217 HydrophobicContact CE1-CG1 4.47Å; F196-I217 HydrophobicContact CZ-CD1 4.18Å; V208-I217 WeakPolarHBondContact CA-O 3.45Å; A209-I217 PolarHBondContact N-O 3.38Å; A209-I217 PolarHBondContact O-N 3.17Å; T211-I217 HydrophobicContact CG2-CD1 4.26Å; I217-V219 HydrophobicContact CG2-CG2 4.21Å; I217-L226 CarbonylContact C-O 3.56Å; I217-L226 WeakPolarHBondContact CA-O 3.3Å; I217-E227 HydrophobicContact CD1-CG 4.35Å; I217-E227 HydrophobicContact CG1-CG 4.09Å; I217-E227 HydrophobicContact CG2-CG 4.21Å
218L90.4Very high87.2Confident0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-84.7119.1169.2-179.264.9000109.2I202 K206 V208 W216 K225 L226 Y326I202-L218 HydrophobicContact CD1-CD1 3.57Å; K206-L218 HydrophobicContact CB-CD1 4.33Å; V208-L218 HydrophobicContact CG2-CD1 4Å; W216-L218 HydrophobicContact CZ3-CB 4.28Å; L218-K225 PolarHBondContact O-N 2.97Å; L218-L226 HydrophobicContact CB-CB 4.05Å; L218-L226 HydrophobicContact CD2-CB 4.38Å; L218-L226 PolarHBondContact N-O 3.35Å; L218-Y326 HydrophobicContact CD2-CE2 4.28Å
219V88.9Confident86.8Confident2 Ų241.4 Ų41.41%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-109.8121.5173.6-176.10000107.8I173 I188 V191 K206 I207 I217 E223I173-V219 HydrophobicContact CD1-CG2 4.3Å; I188-V219 HydrophobicContact CD1-CG1 4.48Å; V191-V219 HydrophobicContact CG1-CG2 4.45Å; V191-V219 HydrophobicContact CG2-CG1 3.93Å; V191-V219 HydrophobicContact CG2-CG2 3.72Å; K206-V219 WeakPolarHBondContact CA-O 3.23Å; I207-V219 PolarHBondContact N-O 3.04Å; I207-V219 PolarHBondContact O-N 3.19Å; I217-V219 HydrophobicContact CG2-CG2 4.21Å; V219-E223 WeakPolarHBondContact CA-O 3.5Å
220E86.1Confident86.2Confident31 Ų3141.5 Ų41.515%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-125.1131.6175.6-177-175.8126.800108.9E205 K206 G222 E223 K225E205-E220 WeakPolarHBondContact O-CA 3.46Å; K206-E220 WeakPolarHBondContact CE-OE2 3.45Å; K206-E220 HydrophobicContact CG-CB 4.09Å; K206-E220 HydrophobicContact CG-CG 3.74Å; K206-E220 IonicContact NZ-OE2 3.02Å; K206-E220 PolarHBondContact NZ-OE2 3.3Å; E220-G222 PolarHBondContact O-N 3.01Å; E220-E223 PolarHBondContact N-O 3.33Å; E220-E223 PolarHBondContact O-N 3.47Å; E220-K225 HydrophobicContact CB-CD 3.81Å; E220-K225 HydrophobicContact CB-CG 4.19Å; E220-K225 HydrophobicContact CG-CD 4.48Å; E220-K225 WeakPolarHBondContact OE1-CE 3.43Å; E220-K225 IonicContact OE1-NZ 3.85Å; E220-K225 PolarHBondContact OE1-NZ 3.28Å; E220-K225 WeakPolarHBondContact OE2-CD 3.45Å; E220-K225 WeakPolarHBondContact OE2-CE 3.39Å; E220-K225 IonicContact OE2-NZ 3.31Å; E220-K225 PolarHBondContact OE2-NZ 3.44Å
221N79.5Confident85Confident99 Ų9943.4 Ų43.453%0.52922%0.216SC..THydrogen-bonded Turntrans51.825.6179.1-76.9-55.5000114.5E205E205-N221 PolarHBondContact O-N 3.41Å; E205-N221 VanDerWaalsContact O-N 3.14Å; E205-N221 PolarHBondContact OE2-ND2 3.4Å; E205-N221 PolarHBondContact OE2-OD1 3.32Å
222G72.7Confident83.6Confident8 Ų845.2 Ų45.28%0.08223%0.231CC..THydrogen-bonded Turntrans95.3-0.1176.900000117.1G187 E220G187-G222 WeakPolarHBondContact O-CA 3.49Å; E220-G222 PolarHBondContact O-N 3.01Å
223E80.4Confident82.2Confident97 Ų9741.3 Ų41.345%0.45321%0.213SC..EExtended strand (participates in β ladder)trans-118.2137.8-177.5-49-159.6158.400110.2K190 V219 E220 K225K190-E223 HydrophobicContact CD-CG 4.1Å; K190-E223 WeakPolarHBondContact CD-OE1 3.46Å; K190-E223 WeakPolarHBondContact CE-OE1 3.19Å; K190-E223 IonicContact NZ-OE1 3.06Å; K190-E223 PolarHBondContact NZ-OE1 3.03Å; K190-E223 IonicContact NZ-OE2 2.92Å; V219-E223 WeakPolarHBondContact CA-O 3.5Å; E220-E223 PolarHBondContact N-O 3.33Å; E220-E223 PolarHBondContact O-N 3.47Å; E223-K225 PolarHBondContact O-N 3.08Å
224S81.9Confident80.4Confident50 Ų5041.5 Ų41.535%0.3521%0.214SC..EExtended strand (participates in β ladder)trans-70.2111.7174.149.70000109.6
225K82.6Confident78.1Confident112 Ų11249.7 Ų49.749%0.48725%0.252SS..EExtended strand (participates in β ladder)trans-91.3-39.7-179.6-80.6-162.3173.6-176.40113.7L218 E220 E223L218-K225 PolarHBondContact O-N 2.97Å; E220-K225 HydrophobicContact CB-CD 3.81Å; E220-K225 HydrophobicContact CB-CG 4.19Å; E220-K225 HydrophobicContact CG-CD 4.48Å; E220-K225 WeakPolarHBondContact OE1-CE 3.43Å; E220-K225 IonicContact OE1-NZ 3.85Å; E220-K225 PolarHBondContact OE1-NZ 3.28Å; E220-K225 WeakPolarHBondContact OE2-CD 3.45Å; E220-K225 WeakPolarHBondContact OE2-CE 3.39Å; E220-K225 IonicContact OE2-NZ 3.31Å; E220-K225 PolarHBondContact OE2-NZ 3.44Å; E223-K225 PolarHBondContact O-N 3.08Å
226L83.1Confident75.5Confident33 Ų3354 Ų5417%0.17327%0.273CS..EExtended strand (participates in β ladder)trans-144135.1-172.1-166.7150.9000109.7W216 I217 L218W216-L226 HydrophobicContact CH2-CD2 3.7Å; W216-L226 HydrophobicContact CZ2-CD2 4.41Å; W216-L226 HydrophobicContact CZ3-CD2 3.76Å; I217-L226 CarbonylContact C-O 3.56Å; I217-L226 WeakPolarHBondContact CA-O 3.3Å; L218-L226 HydrophobicContact CB-CB 4.05Å; L218-L226 HydrophobicContact CD2-CB 4.38Å; L218-L226 PolarHBondContact N-O 3.35Å
227E85.2Confident72.7Confident77 Ų7758.7 Ų58.736%0.3630%0.298SS..EExtended strand (participates in β ladder)trans-119.4133167.6-63.2-164.8-173.800109.4R194 R215 W216 I217R194-E227 IonicContact CZ-OE1 2.73Å; R194-E227 VanDerWaalsContact CZ-OE1 3.27Å; R194-E227 IonicContact CZ-OE2 2.7Å; R194-E227 IonicContact NH1-OE1 3.56Å; R194-E227 PolarHBondContact NH1-OE1 3.41Å; R194-E227 VanDerWaalsContact NH1-OE1 3.14Å; R194-E227 IonicContact NH1-OE2 2.96Å; R194-E227 PolarHBondContact NH1-OE2 3.5Å; R194-E227 IonicContact NH2-OE1 3.45Å; R194-E227 PolarHBondContact NH2-OE1 3.08Å; R194-E227 IonicContact NH2-OE2 3.21Å; R194-E227 PolarHBondContact NH2-OE2 3.12Å; R194-E227 VanDerWaalsContact NH2-OE2 3.16Å; R215-E227 IonicContact NH1-OE2 3.74Å; R215-E227 PolarHBondContact NH1-OE2 3.15Å; W216-E227 WeakPolarHBondContact O-CA 3.28Å; I217-E227 HydrophobicContact CD1-CG 4.35Å; I217-E227 HydrophobicContact CG1-CG 4.09Å; I217-E227 HydrophobicContact CG2-CG 4.21Å
228Y85.1Confident69.8Low67 Ų6762.6 Ų62.626%0.26334%0.338SS..EExtended strand (participates in β ladder)trans-126.1126.9175.4-167.1-78.3000110R215 W216 V230 I233 F275R215-Y228 CarbonylContact C-O 3.55Å; R215-Y228 WeakPolarHBondContact CA-O 3.44Å; W216-Y228 VanDerWaalsContact CE2-CB 3.44Å; W216-Y228 AromaticContact CE2-CG 3.98Å; W216-Y228 HydrophobicContact CZ2-CD2 4.47Å; W216-Y228 HydrophobicContact CZ2-CG 4.07Å; W216-Y228 PolarHBondContact N-O 3.4Å; W216-Y228 AromaticContact NE1-CD1 3.69Å; W216-Y228 AromaticContact NE1-CG 3.79Å; W216-Y228 PolarHBondContact O-N 3.45Å; Y228-V230 HydrophobicContact CD1-CG2 4.44Å; Y228-I233 HydrophobicContact CE1-CD1 3.94Å; Y228-I233 HydrophobicContact CE1-CG1 4.4Å; Y228-F275 AromaticContact CD1-CE1 3.87Å; Y228-F275 HydrophobicContact CD1-CE1 3.87Å; Y228-F275 AromaticContact CD1-CZ 3.75Å; Y228-F275 HydrophobicContact CD1-CZ 3.75Å; Y228-F275 HydrophobicContact CD2-CE1 4.22Å; Y228-F275 AromaticContact CE1-CE1 3.57Å; Y228-F275 HydrophobicContact CE1-CE1 3.57Å; Y228-F275 AromaticContact CE1-CZ 3.55Å; Y228-F275 HydrophobicContact CE1-CZ 3.55Å; Y228-F275 AromaticContact CE2-CE1 3.91Å; Y228-F275 HydrophobicContact CE2-CE1 3.91Å; Y228-F275 HydrophobicContact CG-CE1 4.2Å; Y228-F275 HydrophobicContact CG-CZ 4.44Å; Y228-F275 AromaticContact CZ-CE1 3.57Å
229N85.6Confident66.9Low59 Ų5967.3 Ų67.332%0.31637%0.367SS..EExtended strand (participates in β ladder)trans-100.6113.6-179.9-176.73.1000111G214 R215 S231G214-N229 PolarHBondContact O-OD1 3.29Å; R215-N229 HydrophobicContact CG-CB 4.05Å; N229-S231 PolarHBondContact ND2-OG 2.82Å; N229-S231 WeakPolarHBondContact OD1-CB 3.25Å; N229-S231 PolarHBondContact OD1-N 3.09Å; N229-S231 VanDerWaalsContact OD1-N 3.08Å; N229-S231 PolarHBondContact OD1-OG 3.28Å
230V80.2Confident64.3Low1 Ų175 Ų751%0.00640%0.397CS..THydrogen-bonded Turntrans-71.6-31.4-178178.40000111.8G214 Y228 A232 I233 I253 V265 Y273G214-V230 WeakPolarHBondContact O-CB 3.36Å; G214-V230 PolarHBondContact O-N 2.76Å; Y228-V230 HydrophobicContact CD1-CG2 4.44Å; V230-A232 PolarHBondContact O-N 3.48Å; V230-A232 VanDerWaalsContact O-N 3.12Å; V230-I233 HydrophobicContact CG1-CD1 4.42Å; V230-I233 WeakPolarHBondContact O-CB 3.4Å; V230-I233 PolarHBondContact O-N 3.34Å; V230-I253 HydrophobicContact CG2-CD1 3.92Å; V230-V265 HydrophobicContact CG2-CG1 4.23Å; V230-Y273 HydrophobicContact CG1-CD2 3.66Å; V230-Y273 HydrophobicContact CG1-CE1 4.47Å; V230-Y273 HydrophobicContact CG1-CE2 3.3Å; V230-Y273 HydrophobicContact CG1-CG 4.39Å
231S69.8Low61.8Low40 Ų4085.3 Ų85.328%0.2844%0.435SS..Hα-helixtrans-57.9-30.2180630000113.1N229 I233 N234 T251N229-S231 PolarHBondContact ND2-OG 2.82Å; N229-S231 WeakPolarHBondContact OD1-CB 3.25Å; N229-S231 PolarHBondContact OD1-N 3.09Å; N229-S231 VanDerWaalsContact OD1-N 3.08Å; N229-S231 PolarHBondContact OD1-OG 3.28Å; S231-I233 PolarHBondContact O-N 2.93Å; S231-N234 PolarHBondContact O-N 3.24Å; S231-T251 WeakPolarHBondContact CB-OG1 3.43Å
232A62.6Low59.3Low38 Ų3887.7 Ų87.731%0.31444%0.443SS..Hα-helixtrans-72.5-6.7178.200000114.7V230V230-A232 PolarHBondContact O-N 3.48Å; V230-A232 VanDerWaalsContact O-N 3.12Å
233I63Low57.2Low16 Ų1693 Ų938%0.08247%0.469CS..Hα-helixtrans-80.3-44.2171-59.9169.2000109.8Y228 V230 S231 E235 K236 N237 Y273 L328Y228-I233 HydrophobicContact CE1-CD1 3.94Å; Y228-I233 HydrophobicContact CE1-CG1 4.4Å; V230-I233 HydrophobicContact CG1-CD1 4.42Å; V230-I233 WeakPolarHBondContact O-CB 3.4Å; V230-I233 PolarHBondContact O-N 3.34Å; S231-I233 PolarHBondContact O-N 2.93Å; I233-E235 PolarHBondContact O-N 3.19Å; I233-K236 PolarHBondContact O-N 3.08Å; I233-N237 PolarHBondContact O-N 3.41Å; I233-Y273 HydrophobicContact CD1-CD1 3.98Å; I233-Y273 HydrophobicContact CD1-CE1 3.97Å; I233-Y273 HydrophobicContact CG2-CE1 4.18Å; I233-L328 HydrophobicContact CD1-CD2 3.8Å; I233-L328 HydrophobicContact CG1-CD2 4.47Å
234N49.8Very low54.7Low61 Ų6195.9 Ų95.933%0.32648%0.48SS..Hα-helixtrans-63.5-26.8-176.3-72.1-4.2000113.3S231 Y273S231-N234 PolarHBondContact O-N 3.24Å; N234-Y273 PolarHBondContact OD1-OH 2.96Å; N234-Y273 VanDerWaalsContact OD1-OH 3.05Å
235E39.1Very low52.3Low174 Ų174101 Ų10181%0.81350%0.504SS*.THydrogen-bonded Turntrans-77.6-18.9175.8-63.8-174.2155.200113.7I233I233-E235 PolarHBondContact O-N 3.19Å
236K36.6Very low49.9Very low169 Ų169101.3 Ų101.374%0.73551%0.509SS*.THydrogen-bonded Turntrans-97.3-35.7-175.3-70.5178.1-179171.90113.3I233I233-K236 PolarHBondContact O-N 3.08Å
237N33.5Very low47.3Very low97 Ų97105.3 Ų105.352%0.51954%0.536SS..SBendtrans-94.9100.1176-65.3-8.1000107.7I233 T239I233-N237 PolarHBondContact O-N 3.41Å; N237-T239 PolarHBondContact O-N 3.49Å; N237-T239 PolarHBondContact O-OG1 2.98Å
238G29.2Very low45Very low83 Ų83111 Ų11186%0.85656%0.562SS**  trans-70.150.7-174.400000115.1
239T30.6Very low43.2Very low100 Ų100113 Ų11361%0.61358%0.581SS**  trans-111.341.7-168.156.30000113.1N237N237-T239 PolarHBondContact O-N 3.49Å; N237-T239 PolarHBondContact O-OG1 2.98Å
240Y34.6Very low42Very low163 Ų163118.9 Ų118.964%0.63960%0.604SS**SBendtrans-136.2125.6154.7-83.2-77000108.9
241R32.5Very low41.8Very low248 Ų248119.8 Ų119.894%0.93661%0.609SS**  trans-69.9149.1179-74.3-179173.6176.6-1.4110.4N243R241-N243 PolarHBondContact O-N 3.41Å
242E26.7Very low42.7Very low149 Ų149118.9 Ų118.970%0.69660%0.603SS**  trans-57100.9-175.5-58.6-173.7125.500113.6K244E242-K244 HydrophobicContact CB-CG 4.47Å; E242-K244 WeakPolarHBondContact OE1-CE 3.12Å; E242-K244 IonicContact OE1-NZ 3.97Å; E242-K244 PolarHBondContact OE1-NZ 3.26Å; E242-K244 IonicContact OE2-NZ 3.93Å; E242-K244 PolarHBondContact OE2-NZ 2.93Å
243N29.2Very low44.2Very low119 Ų119117.1 Ų117.164%0.63659%0.588SS**  trans-104.6104.9150.2-86-3.8000107.2R241 D245 I246R241-N243 PolarHBondContact O-N 3.41Å; N243-D245 PolarHBondContact O-N 3.07Å; N243-I246 HydrophobicContact CB-CD1 4.34Å
244K28.9Very low45.6Very low157 Ų157117.5 Ų117.568%0.68359%0.591SS**THydrogen-bonded Turntrans-76.82.3-164.7-86170.7170.9139.70116.1E242E242-K244 HydrophobicContact CB-CG 4.47Å; E242-K244 WeakPolarHBondContact OE1-CE 3.12Å; E242-K244 IonicContact OE1-NZ 3.97Å; E242-K244 PolarHBondContact OE1-NZ 3.26Å; E242-K244 IonicContact OE2-NZ 3.93Å; E242-K244 PolarHBondContact OE2-NZ 2.93Å
245D29.6Very low47.7Very low159 Ų159114.8 Ų114.885%0.8558%0.578SS**THydrogen-bonded Turntrans-115.67.1-173.4-64.4-54.6000114.9N243 T247N243-D245 PolarHBondContact O-N 3.07Å; D245-T247 PolarHBondContact O-N 2.87Å
246I33.6Very low50.3Low117 Ų117107 Ų10760%0.654%0.541SS*.  trans-89.3107.2175.5-55.2178.9000109.5N243 T249N243-I246 HydrophobicContact CB-CD1 4.34Å; I246-T249 HydrophobicContact CG2-CG2 4.35Å
247T29.1Very low53.1Low118 Ų11899.1 Ų99.172%0.72451%0.508SS*.  trans-52.4145.5171.448.20000111.3D245 T249D245-T247 PolarHBondContact O-N 2.87Å; T247-T249 PolarHBondContact O-N 3.4Å
248Q35.8Very low55.8Low197 Ų19795.9 Ų95.992%0.92149%0.493SS*.  trans-48.293.8-179.2-73178-3000112.7K250Q248-K250 PolarHBondContact O-N 2.72Å
249T47Very low58.6Low108 Ų10892.9 Ų92.966%0.66346%0.458SS*.  trans-78.3107.9177.739.80000108.6I246 T247 T251I246-T249 HydrophobicContact CG2-CG2 4.35Å; T247-T249 PolarHBondContact O-N 3.4Å; T249-T251 PolarHBondContact O-N 3.41Å; T249-T251 VanDerWaalsContact O-N 3.13Å
250K60.6Low61.2Low183 Ų18392.4 Ų92.480%0.79647%0.465SS*.  trans-58118.8173.8-70.2-178.3177.5-179.90109.4Q248Q248-K250 PolarHBondContact O-N 2.72Å
251T76.7Confident63.4Low19 Ų1989.5 Ų89.512%0.11746%0.455CS..  trans-73.7124.2171.3540000109.1D213 G214 S231 T249 S268D213-T251 CarbonylContact C-O 3.53Å; G214-T251 WeakPolarHBondContact CA-O 3.49Å; G214-T251 PolarHBondContact N-O 3.46Å; G214-T251 VanDerWaalsContact N-O 3.13Å; S231-T251 WeakPolarHBondContact CB-OG1 3.43Å; T249-T251 PolarHBondContact O-N 3.41Å; T249-T251 VanDerWaalsContact O-N 3.13Å; T251-S268 WeakPolarHBondContact CA-OG 3.41Å
252S89.1Confident66Low21 Ų2178 Ų7815%0.14741%0.414CS..  trans-104.2158.3172.756.80000110.7E212 S267 S268E212-S252 WeakPolarHBondContact O-CA 3.26Å; E212-S252 WeakPolarHBondContact O-CB 3.3Å; S252-S267 CarbonylContact O-C 3.58Å; S252-S267 VanDerWaalsContact O-CA 3.26Å; S252-S267 WeakPolarHBondContact O-CA 3.36Å; S252-S268 PolarHBondContact N-OG 3.24Å; S252-S268 PolarHBondContact O-N 3.47Å; S252-S268 WeakPolarHBondContact OG-CB 3.33Å; S252-S268 PolarHBondContact OG-OG 3.21Å
253I93.1Very high69.1Low1 Ų171 Ų711%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-94.7116.9171.6-59.7-169.9000109L197 T211 R215 W216 V230 L256 V265 A266L197-I253 WeakPolarHBondContact CD1-O 3.41Å; T211-I253 PolarHBondContact O-N 2.91Å; R215-I253 VanDerWaalsContact O-CD1 3.29Å; R215-I253 WeakPolarHBondContact O-CD1 3.46Å; W216-I253 HydrophobicContact CB-CD1 3.73Å; W216-I253 HydrophobicContact CG-CD1 4.31Å; W216-I253 VanDerWaalsContact N-CD1 3.33Å; V230-I253 HydrophobicContact CG2-CD1 3.92Å; I253-L256 HydrophobicContact CG2-CD2 3.98Å; I253-L256 HydrophobicContact CG2-CG 4.23Å; I253-V265 HydrophobicContact CD1-CG1 3.67Å; I253-V265 HydrophobicContact CG1-CG1 4.23Å; I253-V265 HydrophobicContact CG2-CG1 3.82Å; I253-A266 WeakPolarHBondContact CA-O 3.42Å
254T91.9Very high72.2Confident24 Ų2465.5 Ų65.515%0.14735%0.352CS..EExtended strand (participates in β ladder)trans-107.9-24.3-165.455.50000113.5A266 I351 I352T254-A266 PolarHBondContact N-O 2.75Å; T254-I351 HydrophobicContact CG2-CG2 3.81Å; T254-I352 WeakPolarHBondContact CB-O 3.39Å; T254-I352 PolarHBondContact OG1-O 3.19Å
255A93.8Very high75.2Confident5 Ų558 Ų584%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-151.4154.4171.700000112.2A266 I352 L355A255-A266 HydrophobicContact CB-CB 3.97Å; A255-A266 PolarHBondContact O-N 2.99Å; A255-I352 HydrophobicContact CB-CG2 4.36Å; A255-L355 HydrophobicContact CB-CB 4.28Å; A255-L355 HydrophobicContact CB-CD1 4.49Å; A255-L355 HydrophobicContact CB-CG 3.97Å
256L94.7Very high78.2Confident9 Ų950.4 Ų50.45%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-136.6136.3-179.5-68.8167.5000110.4N200 V208 I253 L263 L264 V265N200-L256 HydrophobicContact CB-CB 4.16Å; N200-L256 PolarHBondContact ND2-O 2.79Å; V208-L256 HydrophobicContact CB-CD1 4.45Å; V208-L256 HydrophobicContact CG1-CD1 4.12Å; V208-L256 HydrophobicContact CG1-CD2 4.45Å; I253-L256 HydrophobicContact CG2-CD2 3.98Å; I253-L256 HydrophobicContact CG2-CG 4.23Å; L256-L263 HydrophobicContact CD2-CD1 4.45Å; L256-L264 WeakPolarHBondContact CA-O 3.36Å; L256-V265 HydrophobicContact CD2-CB 4.21Å; L256-V265 HydrophobicContact CD2-CG1 4.05Å; L256-V265 HydrophobicContact CD2-CG2 3.81Å
257A94Very high80.8Confident4 Ų445 Ų453%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-136.9133.2172.700000111L264 L355 I357A257-L264 HydrophobicContact CB-CB 4.31Å; A257-L264 PolarHBondContact N-O 3.4Å; A257-L264 WeakPolarHBondContact O-CB 3.32Å; A257-L264 PolarHBondContact O-N 3.33Å; A257-L355 HydrophobicContact CB-CB 3.87Å; A257-I357 HydrophobicContact CB-CD1 3.59Å; A257-I357 HydrophobicContact CB-CG1 4.02Å
258S91.3Very high83.6Confident29 Ų2940.6 Ų40.620%0.20323%0.225CC..EExtended strand (participates in β ladder)trans-99.2141.2177.332.60000110.8N200 W201 I357N200-S258 PolarHBondContact OD1-OG 3.47Å; W201-S258 PolarHBondContact O-OG 2.81Å; S258-I357 WeakPolarHBondContact O-CD1 3.43Å
259T88.6Confident85.6Confident20 Ų2032.2 Ų32.212%0.12319%0.188CC..EExtended strand (participates in β ladder)trans-118.7167.3168.659.20000109.2K261 G262 L264 I357 E361T259-K261 PolarHBondContact O-N 2.75Å; T259-K261 VanDerWaalsContact O-N 3.16Å; T259-K261 PolarHBondContact OG1-N 3.41Å; T259-G262 PolarHBondContact N-O 3.23Å; T259-G262 PolarHBondContact O-N 3.46Å; T259-G262 PolarHBondContact OG1-N 3.04Å; T259-G262 PolarHBondContact OG1-O 2.93Å; T259-L264 HydrophobicContact CG2-CD1 4.42Å; T259-I357 HydrophobicContact CG2-CD1 3.61Å; T259-E361 WeakPolarHBondContact CB-OE2 3.28Å
260A85.1Confident87.2Confident91 Ų9127.2 Ų27.275%0.75216%0.158SC*.THydrogen-bonded Turntrans-59.5-23.7171.900000113.4E361A260-E361 WeakPolarHBondContact CB-OE2 3.5Å; A260-E361 PolarHBondContact N-OE1 2.78Å; A260-E361 VanDerWaalsContact N-OE1 3.07Å; A260-E361 PolarHBondContact N-OE2 3.28Å
261K80.8Confident88.4Confident102 Ų10219.2 Ų19.244%0.44312%0.124SC..THydrogen-bonded Turntrans-92.9-22.4177.9-65.3-178.1179.4176.40114.2T259 W274 H277 D382T259-K261 PolarHBondContact O-N 2.75Å; T259-K261 VanDerWaalsContact O-N 3.16Å; T259-K261 PolarHBondContact OG1-N 3.41Å; K261-W274 HydrophobicContact CD-CZ2 4.47Å; K261-H277 PolarHBondContact O-N 2.77Å; K261-D382 IonicContact NZ-OD2 2.73Å; K261-D382 PolarHBondContact NZ-OD2 2.99Å
262G86.4Confident89Confident6 Ų618.4 Ų18.46%0.06212%0.119CC..EExtended strand (participates in β ladder)trans175.9-156.5-168.100000116.9T259 F275T259-G262 PolarHBondContact N-O 3.23Å; T259-G262 PolarHBondContact O-N 3.46Å; T259-G262 PolarHBondContact OG1-N 3.04Å; T259-G262 PolarHBondContact OG1-O 2.93Å; G262-F275 CarbonylContact C-O 3.54Å; G262-F275 WeakPolarHBondContact CA-O 3.3Å
263L92Very high89Confident1 Ų117.6 Ų17.61%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-132.9128.2-173.5178.676.8000110.5V208 W216 L256 V265 F275 Y326V208-L263 HydrophobicContact CB-CD1 4.27Å; V208-L263 HydrophobicContact CB-CD2 4.48Å; V208-L263 HydrophobicContact CG1-CD1 4.43Å; V208-L263 HydrophobicContact CG1-CD2 3.91Å; V208-L263 HydrophobicContact CG2-CD1 4.08Å; V208-L263 HydrophobicContact CG2-CD2 4.16Å; W216-L263 HydrophobicContact CD2-CD2 3.95Å; W216-L263 HydrophobicContact CE3-CD2 4.05Å; W216-L263 HydrophobicContact CG-CD2 4.46Å; W216-L263 HydrophobicContact CH2-CD2 4.33Å; W216-L263 HydrophobicContact CZ2-CD2 4.25Å; W216-L263 HydrophobicContact CZ3-CD2 4.23Å; L256-L263 HydrophobicContact CD2-CD1 4.45Å; L263-V265 HydrophobicContact CD2-CG2 3.62Å; L263-V265 HydrophobicContact CG-CG2 3.79Å; L263-F275 HydrophobicContact CB-CB 4.43Å; L263-F275 PolarHBondContact N-O 3.42Å; L263-F275 PolarHBondContact O-N 2.84Å; L263-Y326 HydrophobicContact CB-CE1 4.22Å
264L93.3Very high88.8Confident4 Ų418.2 Ų18.22%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-100.6129.5172.3-64.1165.7000109.9L256 A257 T259 V272 Y273 W274 L355 I357 L364 L378L256-L264 WeakPolarHBondContact CA-O 3.36Å; A257-L264 HydrophobicContact CB-CB 4.31Å; A257-L264 PolarHBondContact N-O 3.4Å; A257-L264 WeakPolarHBondContact O-CB 3.32Å; A257-L264 PolarHBondContact O-N 3.33Å; T259-L264 HydrophobicContact CG2-CD1 4.42Å; L264-V272 HydrophobicContact CB-CG1 4.12Å; L264-V272 HydrophobicContact CD2-CG1 4.18Å; L264-Y273 CarbonylContact C-O 3.56Å; L264-Y273 WeakPolarHBondContact CA-O 3.16Å; L264-W274 HydrophobicContact CD2-CB 3.76Å; L264-W274 HydrophobicContact CD2-CD2 4.09Å; L264-W274 HydrophobicContact CD2-CE3 4.13Å; L264-W274 HydrophobicContact CD2-CG 3.9Å; L264-L355 HydrophobicContact CB-CD1 4.28Å; L264-I357 HydrophobicContact CD1-CD1 4.19Å; L264-I357 HydrophobicContact CD1-CG1 4.31Å; L264-L364 HydrophobicContact CD1-CD1 3.82Å; L264-L364 HydrophobicContact CD1-CD2 3.95Å; L264-L364 HydrophobicContact CD1-CG 4.43Å; L264-L378 HydrophobicContact CD1-CD2 4.06Å; L264-L378 HydrophobicContact CD2-CD2 4.41Å
265V93.2Very high88.5Confident0 Ų017 Ų170%011%0.108CC..EExtended strand (participates in β ladder)trans-127.9109.5-171.1-178.40000110W216 V230 I253 L256 L263 V272 Y273 F275W216-V265 HydrophobicContact CG-CG2 4.4Å; V230-V265 HydrophobicContact CG2-CG1 4.23Å; I253-V265 HydrophobicContact CD1-CG1 3.67Å; I253-V265 HydrophobicContact CG1-CG1 4.23Å; I253-V265 HydrophobicContact CG2-CG1 3.82Å; L256-V265 HydrophobicContact CD2-CB 4.21Å; L256-V265 HydrophobicContact CD2-CG1 4.05Å; L256-V265 HydrophobicContact CD2-CG2 3.81Å; L263-V265 HydrophobicContact CD2-CG2 3.62Å; L263-V265 HydrophobicContact CG-CG2 3.79Å; V265-V272 CarbonylContact O-C 3.59Å; V265-V272 WeakPolarHBondContact O-CA 3.4Å; V265-Y273 PolarHBondContact N-O 3.26Å; V265-Y273 PolarHBondContact O-N 3.38Å; V265-F275 HydrophobicContact CB-CD2 4.37Å; V265-F275 HydrophobicContact CB-CE2 4.07Å; V265-F275 HydrophobicContact CG2-CD2 3.69Å; V265-F275 HydrophobicContact CG2-CE2 3.75Å
266A92.5Very high88.1Confident0 Ų020.2 Ų20.20%012%0.122CC..EExtended strand (participates in β ladder)trans-87132.3176.400000111.4I253 T254 A255 V272 I352 L355I253-A266 WeakPolarHBondContact CA-O 3.42Å; T254-A266 PolarHBondContact N-O 2.75Å; A255-A266 HydrophobicContact CB-CB 3.97Å; A255-A266 PolarHBondContact O-N 2.99Å; A266-V272 HydrophobicContact CB-CG2 4.23Å; A266-I352 HydrophobicContact CB-CB 3.95Å; A266-I352 HydrophobicContact CB-CD1 4.22Å; A266-I352 HydrophobicContact CB-CG2 3.8Å; A266-L355 HydrophobicContact CB-CD1 3.77Å; A266-L355 HydrophobicContact CB-CG 4.08Å
267S88.6Confident87.5Confident2 Ų223 Ų231%0.01413%0.134CC..EExtended strand (participates in β ladder)trans-103.3158.7172.264.60000112.6S252 S269 G270 I271S252-S267 CarbonylContact O-C 3.58Å; S252-S267 VanDerWaalsContact O-CA 3.26Å; S252-S267 WeakPolarHBondContact O-CA 3.36Å; S267-S269 PolarHBondContact O-N 3.31Å; S267-S269 PolarHBondContact OG-OG 2.9Å; S267-G270 PolarHBondContact O-N 3.34Å; S267-G270 VanDerWaalsContact O-N 3.08Å; S267-I271 PolarHBondContact N-O 3.31Å; S267-I271 PolarHBondContact OG-O 3.19Å; S267-I271 VanDerWaalsContact OG-O 3.14Å
268S86.5Confident86.5Confident26 Ų2624 Ų2418%0.18214%0.139CC..THydrogen-bonded Turntrans-62.8-6.7170.961.30000115T251 S252 G270T251-S268 WeakPolarHBondContact CA-OG 3.41Å; S252-S268 PolarHBondContact N-OG 3.24Å; S252-S268 PolarHBondContact O-N 3.47Å; S252-S268 WeakPolarHBondContact OG-CB 3.33Å; S252-S268 PolarHBondContact OG-OG 3.21Å; S268-G270 VanDerWaalsContact C-N 3.28Å
269S79.3Confident85.4Confident21 Ų2126 Ų2615%0.14715%0.15CC..THydrogen-bonded Turntrans-86.19.3171.7680000113.7S267 I271S267-S269 PolarHBondContact O-N 3.31Å; S267-S269 PolarHBondContact OG-OG 2.9Å; S269-I271 VanDerWaalsContact C-N 3.3Å; S269-I271 PolarHBondContact O-N 3.49Å
270G79Confident83.9Confident3 Ų328.3 Ų28.33%0.03117%0.171CC..SBendtrans73.419.1-179.800000114.2S267 S268 L334S267-G270 PolarHBondContact O-N 3.34Å; S267-G270 VanDerWaalsContact O-N 3.08Å; S268-G270 VanDerWaalsContact C-N 3.28Å; G270-L334 PolarHBondContact O-N 3.35Å
271I85.9Confident82.4Confident15 Ų1529.6 Ų29.68%0.07717%0.165CC..EExtended strand (participates in β ladder)trans-112.5134.6-178.3-57.2174.1000109.4S267 S269 Y273 C333S267-I271 PolarHBondContact N-O 3.31Å; S267-I271 PolarHBondContact OG-O 3.19Å; S267-I271 VanDerWaalsContact OG-O 3.14Å; S269-I271 VanDerWaalsContact C-N 3.3Å; S269-I271 PolarHBondContact O-N 3.49Å; I271-Y273 HydrophobicContact CB-CE2 3.95Å; I271-Y273 HydrophobicContact CG2-CD1 4.45Å; I271-Y273 HydrophobicContact CG2-CD2 4.12Å; I271-Y273 HydrophobicContact CG2-CE1 4.01Å; I271-Y273 HydrophobicContact CG2-CE2 3.63Å; I271-C333 HydrophobicContact CG1-CB 4.5Å
272V89.7Confident81.2Confident2 Ų228.9 Ų28.91%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-105.8121.9170.5-175.80000109.1L264 V265 A266 S331 V332 I352 L355 L364 F413L264-V272 HydrophobicContact CB-CG1 4.12Å; L264-V272 HydrophobicContact CD2-CG1 4.18Å; V265-V272 CarbonylContact O-C 3.59Å; V265-V272 WeakPolarHBondContact O-CA 3.4Å; A266-V272 HydrophobicContact CB-CG2 4.23Å; V272-S331 CarbonylContact O-C 3.57Å; V272-S331 VanDerWaalsContact O-CA 3.25Å; V272-S331 WeakPolarHBondContact O-CA 3.46Å; V272-V332 PolarHBondContact N-O 3.18Å; V272-V332 PolarHBondContact O-N 3.18Å; V272-I352 HydrophobicContact CG2-CD1 3.37Å; V272-L355 HydrophobicContact CG1-CD1 3.94Å; V272-L355 HydrophobicContact CG2-CD1 4.3Å; V272-L355 HydrophobicContact CG2-CD2 4.03Å; V272-L364 HydrophobicContact CG1-CD2 4.45Å; V272-F413 HydrophobicContact CB-CE2 4.31Å; V272-F413 HydrophobicContact CB-CZ 4.47Å; V272-F413 HydrophobicContact CG2-CE2 3.76Å; V272-F413 HydrophobicContact CG2-CZ 3.82Å
273Y88.8Confident79.6Confident5 Ų531.6 Ų31.62%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-98.4135.5176.4-61.5-89.1000110.2V230 I233 N234 L264 V265 I271 L328V230-Y273 HydrophobicContact CG1-CD2 3.66Å; V230-Y273 HydrophobicContact CG1-CE1 4.47Å; V230-Y273 HydrophobicContact CG1-CE2 3.3Å; V230-Y273 HydrophobicContact CG1-CG 4.39Å; I233-Y273 HydrophobicContact CD1-CD1 3.98Å; I233-Y273 HydrophobicContact CD1-CE1 3.97Å; I233-Y273 HydrophobicContact CG2-CE1 4.18Å; N234-Y273 PolarHBondContact OD1-OH 2.96Å; N234-Y273 VanDerWaalsContact OD1-OH 3.05Å; L264-Y273 CarbonylContact C-O 3.56Å; L264-Y273 WeakPolarHBondContact CA-O 3.16Å; V265-Y273 PolarHBondContact N-O 3.26Å; V265-Y273 PolarHBondContact O-N 3.38Å; I271-Y273 HydrophobicContact CB-CE2 3.95Å; I271-Y273 HydrophobicContact CG2-CD1 4.45Å; I271-Y273 HydrophobicContact CG2-CD2 4.12Å; I271-Y273 HydrophobicContact CG2-CE1 4.01Å; I271-Y273 HydrophobicContact CG2-CE2 3.63Å; Y273-L328 HydrophobicContact CD1-CD1 3.98Å; Y273-L328 HydrophobicContact CG-CD1 4.42Å
274W88.6Confident77.7Confident13 Ų1337 Ų375%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-103120.1173.2-175.4-25.7000110.1K261 L264 L329 G330 L378 I381K261-W274 HydrophobicContact CD-CZ2 4.47Å; L264-W274 HydrophobicContact CD2-CB 3.76Å; L264-W274 HydrophobicContact CD2-CD2 4.09Å; L264-W274 HydrophobicContact CD2-CE3 4.13Å; L264-W274 HydrophobicContact CD2-CG 3.9Å; W274-L329 HydrophobicContact CD2-CD1 4.32Å; W274-L329 HydrophobicContact CG-CD1 4.36Å; W274-L329 HydrophobicContact CZ2-CD1 4.3Å; W274-L329 PolarHBondContact O-N 2.8Å; W274-G330 PolarHBondContact N-O 3.04Å; W274-L378 HydrophobicContact CE3-CD2 4.12Å; W274-L378 HydrophobicContact CZ3-CB 4.22Å; W274-L378 HydrophobicContact CZ3-CD2 3.86Å; W274-I381 HydrophobicContact CE3-CB 4.05Å; W274-I381 HydrophobicContact CE3-CD1 3.33Å; W274-I381 HydrophobicContact CE3-CG1 4.15Å; W274-I381 HydrophobicContact CE3-CG2 3.91Å; W274-I381 HydrophobicContact CH2-CB 4.38Å; W274-I381 HydrophobicContact CZ3-CB 3.63Å; W274-I381 HydrophobicContact CZ3-CD1 3.58Å; W274-I381 HydrophobicContact CZ3-CG1 3.96Å; W274-I381 HydrophobicContact CZ3-CG2 3.9Å
275F87.3Confident75.8Confident0 Ų045.3 Ų45.30%023%0.233CC..EExtended strand (participates in β ladder)trans-104.4114.5169.4-63.2-89.7000111.1W216 Y228 G262 L263 V265 Y326 Q327 L328W216-F275 AromaticContact CZ2-CD1 4Å; W216-F275 HydrophobicContact CZ2-CD1 4Å; W216-F275 HydrophobicContact CZ2-CD2 4.32Å; W216-F275 HydrophobicContact CZ2-CE1 4.29Å; W216-F275 HydrophobicContact CZ2-CG 4.02Å; W216-F275 AromaticContact NE1-CD2 3.84Å; W216-F275 AromaticContact NE1-CE2 3.42Å; W216-F275 AromaticContact NE1-CZ 3.54Å; Y228-F275 AromaticContact CD1-CE1 3.87Å; Y228-F275 HydrophobicContact CD1-CE1 3.87Å; Y228-F275 AromaticContact CD1-CZ 3.75Å; Y228-F275 HydrophobicContact CD1-CZ 3.75Å; Y228-F275 HydrophobicContact CD2-CE1 4.22Å; Y228-F275 AromaticContact CE1-CE1 3.57Å; Y228-F275 HydrophobicContact CE1-CE1 3.57Å; Y228-F275 AromaticContact CE1-CZ 3.55Å; Y228-F275 HydrophobicContact CE1-CZ 3.55Å; Y228-F275 AromaticContact CE2-CE1 3.91Å; Y228-F275 HydrophobicContact CE2-CE1 3.91Å; Y228-F275 HydrophobicContact CG-CE1 4.2Å; Y228-F275 HydrophobicContact CG-CZ 4.44Å; Y228-F275 AromaticContact CZ-CE1 3.57Å; G262-F275 CarbonylContact C-O 3.54Å; G262-F275 WeakPolarHBondContact CA-O 3.3Å; L263-F275 HydrophobicContact CB-CB 4.43Å; L263-F275 PolarHBondContact N-O 3.42Å; L263-F275 PolarHBondContact O-N 2.84Å; V265-F275 HydrophobicContact CB-CD2 4.37Å; V265-F275 HydrophobicContact CB-CE2 4.07Å; V265-F275 HydrophobicContact CG2-CD2 3.69Å; V265-F275 HydrophobicContact CG2-CE2 3.75Å; F275-Y326 HydrophobicContact CB-CD1 4.03Å; F275-Q327 CarbonylContact C-O 3.51Å; F275-Q327 VanDerWaalsContact CA-O 3.27Å; F275-Q327 WeakPolarHBondContact CA-O 3.4Å; F275-L328 HydrophobicContact CD1-CB 4.13Å; F275-L328 HydrophobicContact CD1-CD1 4.3Å; F275-L328 HydrophobicContact CE1-CB 3.96Å; F275-L328 HydrophobicContact CE1-CD1 3.91Å; F275-L328 HydrophobicContact CE2-CD1 4.23Å; F275-L328 HydrophobicContact CZ-CD1 3.88Å
276E84.5Confident73.8Confident72 Ų7249.1 Ų49.134%0.33625%0.25SS..EExtended strand (participates in β ladder)trans-79.9143.5173.5-176.6177.4-144.900110.9Y326 Q327 L329E276-Y326 CarbonylContact O-C 3.56Å; E276-Y326 VanDerWaalsContact O-CA 3.24Å; E276-Y326 WeakPolarHBondContact O-CA 3.42Å; E276-Q327 PolarHBondContact N-O 2.73Å; E276-Q327 PolarHBondContact O-N 3.4Å; E276-L329 HydrophobicContact CB-CD1 3.77Å; E276-L329 HydrophobicContact CB-CD2 4.16Å; E276-L329 HydrophobicContact CB-CG 3.75Å; E276-L329 HydrophobicContact CG-CD1 4.48Å
277H81.7Confident71.8Confident67 Ų6755.1 Ų55.131%0.3128%0.278SS..EExtended strand (participates in β ladder)trans-84.5117.2176175.8-98.8000111.5K261 T279 Y326K261-H277 PolarHBondContact O-N 2.77Å; H277-T279 PolarHBondContact O-N 2.74Å; H277-T279 VanDerWaalsContact O-N 3.15Å; H277-Y326 HydrophobicContact CB-CD1 4.24Å; H277-Y326 HydrophobicContact CB-CE1 3.77Å; H277-Y326 AromaticContact CD2-CE2 3.95Å; H277-Y326 AromaticContact CD2-CZ 3.77Å
278I74.7Confident69.8Low25 Ų2558.3 Ų58.313%0.12830%0.301CS..  trans-78.8100.3-176.3-46.7178000110.3H282 K283 E325 Q327I278-H282 HydrophobicContact CG2-CB 3.9Å; I278-K283 HydrophobicContact CG2-CD 4.39Å; I278-K283 HydrophobicContact CG2-CG 3.78Å; I278-E325 PolarHBondContact N-O 3.19Å; I278-Q327 HydrophobicContact CD1-CB 3.9Å; I278-Q327 HydrophobicContact CG1-CB 4.02Å
279T67Low67.9Low71 Ų7163.5 Ų63.544%0.43632%0.322SS..  trans-64155.5174.961.50000112.5H277 D281 H282 K283H277-T279 PolarHBondContact O-N 2.74Å; H277-T279 VanDerWaalsContact O-N 3.15Å; T279-D281 PolarHBondContact O-N 2.81Å; T279-H282 WeakPolarHBondContact O-CB 3.4Å; T279-H282 PolarHBondContact O-N 3.48Å; T279-K283 PolarHBondContact O-N 3.44Å
280A57.1Low66.3Low68 Ų6869.4 Ų69.456%0.56235%0.348SS*.Hα-helixtrans-58.4-35.3-177.700000112.9H282 K283 L284A280-H282 VanDerWaalsContact C-N 3.28Å; A280-H282 PolarHBondContact O-N 2.84Å; A280-K283 PolarHBondContact O-N 3.21Å; A280-K283 VanDerWaalsContact O-N 3.17Å; A280-L284 PolarHBondContact O-N 2.86Å
281D54.9Low64.6Low119 Ų11976.5 Ų76.564%0.63638%0.38SS*.Hα-helixtrans-61.4-35.9176-65.5-23.7000112.3T279 L284 R285T279-D281 PolarHBondContact O-N 2.81Å; D281-L284 PolarHBondContact O-N 2.91Å; D281-R285 WeakPolarHBondContact O-CG 3.22Å; D281-R285 PolarHBondContact O-N 3.46Å
282H54.1Low62.4Low86 Ų8682.5 Ų82.540%0.39841%0.412SS..Hα-helixtrans-67.1-39.7176.3-131.7-101.8000111.5I278 T279 A280 R285 Q286I278-H282 HydrophobicContact CG2-CB 3.9Å; T279-H282 WeakPolarHBondContact O-CB 3.4Å; T279-H282 PolarHBondContact O-N 3.48Å; A280-H282 VanDerWaalsContact C-N 3.28Å; A280-H282 PolarHBondContact O-N 2.84Å; H282-R285 PolarHBondContact O-N 3.34Å; H282-Q286 PolarHBondContact O-N 2.88Å
283K52.6Low60.1Low64 Ų6489.4 Ų89.428%0.27845%0.449SS..Hα-helixtrans-66.7-38.2175.1-62.8-172.4177-174.40111.9I278 T279 A280 Q286 Q287 D324I278-K283 HydrophobicContact CG2-CD 4.39Å; I278-K283 HydrophobicContact CG2-CG 3.78Å; T279-K283 PolarHBondContact O-N 3.44Å; A280-K283 PolarHBondContact O-N 3.21Å; A280-K283 VanDerWaalsContact O-N 3.17Å; K283-Q286 PolarHBondContact O-N 3.34Å; K283-Q287 WeakPolarHBondContact O-CB 3.3Å; K283-Q287 WeakPolarHBondContact O-CG 3.46Å; K283-Q287 PolarHBondContact O-N 2.94Å; K283-D324 WeakPolarHBondContact CE-O 3.36Å; K283-D324 PolarHBondContact NZ-O 3.05Å
284L53Low57.5Low115 Ų11597 Ų9760%0.60248%0.482SS*.Hα-helixtrans-65.6-40.1173.4-100.6129.4000112.8A280 D281 S288A280-L284 PolarHBondContact O-N 2.86Å; D281-L284 PolarHBondContact O-N 2.91Å; L284-S288 WeakPolarHBondContact O-CB 3.45Å; L284-S288 PolarHBondContact O-N 2.83Å; L284-S288 PolarHBondContact O-OG 2.75Å
285R52.4Low55Low178 Ų178105.2 Ų105.267%0.67252%0.521SS*.Hα-helixtrans-63-44.3173.7-78.2-177.8172.9-168-1.6112D281 H282 S288 Q289D281-R285 WeakPolarHBondContact O-CG 3.22Å; D281-R285 PolarHBondContact O-N 3.46Å; H282-R285 PolarHBondContact O-N 3.34Å; R285-S288 PolarHBondContact O-OG 2.99Å; R285-S288 VanDerWaalsContact O-OG 3.04Å; R285-Q289 WeakPolarHBondContact O-CG 3.35Å; R285-Q289 PolarHBondContact O-N 3.39Å; R285-Q289 VanDerWaalsContact O-N 3.15Å
286Q52.7Low52.2Low79 Ų79114.1 Ų114.137%0.36956%0.562SS.*Hα-helixtrans-67.2-41.2177.9-71.7-178.5-0.400112.7H282 K283 Q289 Q290H282-Q286 PolarHBondContact O-N 2.88Å; K283-Q286 PolarHBondContact O-N 3.34Å; Q286-Q289 PolarHBondContact O-N 2.78Å; Q286-Q290 WeakPolarHBondContact O-CG 3.33Å; Q286-Q290 PolarHBondContact O-N 3.37Å
287Q49.7Very low49.8Very low126 Ų126120.7 Ų120.759%0.58959%0.59SS**Hα-helixtrans-67.8-36.3178.1-73.7-179.68.500113.2K283 Q290 Q291K283-Q287 WeakPolarHBondContact O-CB 3.3Å; K283-Q287 WeakPolarHBondContact O-CG 3.46Å; K283-Q287 PolarHBondContact O-N 2.94Å; Q287-Q290 PolarHBondContact O-N 3.25Å; Q287-Q291 PolarHBondContact O-N 3.49Å
288S46.1Very low47.4Very low69 Ų69126.8 Ų126.848%0.48362%0.615SS.*Hα-helixtrans-71.2-31.117649.80000113L284 R285L284-S288 WeakPolarHBondContact O-CB 3.45Å; L284-S288 PolarHBondContact O-N 2.83Å; L284-S288 PolarHBondContact O-OG 2.75Å; R285-S288 PolarHBondContact O-OG 2.99Å; R285-S288 VanDerWaalsContact O-OG 3.04Å
289Q47.7Very low45.2Very low135 Ų135131.7 Ų131.763%0.63165%0.649SS**Hα-helixtrans-69.7-44.6170.6-73.5173.3-20.500112.2R285 Q286 Q291 N292R285-Q289 WeakPolarHBondContact O-CG 3.35Å; R285-Q289 PolarHBondContact O-N 3.39Å; R285-Q289 VanDerWaalsContact O-N 3.15Å; Q286-Q289 PolarHBondContact O-N 2.78Å; Q289-Q291 VanDerWaalsContact C-N 3.26Å; Q289-Q291 PolarHBondContact O-N 3.02Å; Q289-N292 PolarHBondContact O-N 2.97Å
290Q46Very low43.5Very low146 Ų146136.2 Ų136.268%0.68267%0.669SS**Hα-helixtrans-69-13.9-178.1-72.9-178.55.700115.3Q286 Q287Q286-Q290 WeakPolarHBondContact O-CG 3.33Å; Q286-Q290 PolarHBondContact O-N 3.37Å; Q287-Q290 PolarHBondContact O-N 3.25Å
291Q43.3Very low42.3Very low152 Ų152139 Ų13971%0.7168%0.679SS**THydrogen-bonded Turntrans-84.9-16.8175-74.1-1702.800114.3Q287 Q289Q287-Q291 PolarHBondContact O-N 3.49Å; Q289-Q291 VanDerWaalsContact C-N 3.26Å; Q289-Q291 PolarHBondContact O-N 3.02Å
292N39.4Very low41Very low140 Ų140137.7 Ų137.775%0.74968%0.679SS**THydrogen-bonded Turntrans-90.3-21.5-179.6-75.8-26.2000114.1Q289 K294Q289-N292 PolarHBondContact O-N 2.97Å; N292-K294 VanDerWaalsContact C-N 3.28Å; N292-K294 PolarHBondContact O-N 3.24Å
293D40.4Very low39.7Very low147 Ų147140.9 Ų140.979%0.78670%0.697SS**  trans-90.237.7-178.6-74.5-21.4000114.1
294K34.3Very low38.4Very low165 Ų165144.6 Ų144.672%0.71772%0.72SS**  trans-98.865.3171.9-80.1-173177.1175.80112.4N292N292-K294 VanDerWaalsContact C-N 3.28Å; N292-K294 PolarHBondContact O-N 3.24Å
295H36.4Very low37.2Very low186 Ų186146.7 Ų146.786%0.86173%0.731SS**SBendtrans-167143.3146.3-96.1-66.3000110.5
296E29Very low35.9Very low186 Ų186142.5 Ų142.587%0.86974%0.735SS**  trans61.977.7169.4-56.5-159.9133.200120.2
297K33.2Very low34.8Very low210 Ų210145.7 Ų145.791%0.91376%0.759SS**  trans-133.8129136-76.8-165.7177.7176.80111.8
298K32.1Very low33.7Very low196 Ų196149.5 Ų149.585%0.85277%0.774SS**  trans-73.1150.9168.8-75.9175.9177.3172.30109.7
299P28.2Very low32.9Very low128 Ų128151.4 Ų151.483%0.83179%0.787SS**  trans-75.9135.7-176.431-34.3000111.4
300I31.5Very low32Very low166 Ų166150.9 Ų150.985%0.85179%0.794SS**  trans-110.5114.6164.7-62.2179000108.5
301T30.5Very low31.2Very low126 Ų126149.4 Ų149.477%0.77380%0.795SS**  trans-13.4120.9172.1-32.90000117.8
302S27.6Very low30.6Very low91 Ų91149.6 Ų149.664%0.63680%0.801SS**  trans-67.1132.9164.145.50000112.1N304S302-N304 PolarHBondContact O-N 3.2Å
303I28Very low30Very low153 Ų153151 Ų15179%0.78580%0.803SS**  trans-89.295.4166.8-61.9177.1000108.1L305I303-L305 HydrophobicContact CG2-CD1 3.72Å
304N25.5Very low29.4Very low143 Ų143151 Ų15177%0.76581%0.808SS**  trans-84.7113.2165.9-76.5-34000109.1S302S302-N304 PolarHBondContact O-N 3.2Å
305L27.3Very low28.9Very low159 Ų159149.7 Ų149.783%0.83281%0.809SS**  trans-102.4114.5155.6-95.993.3000109.4I303I303-L305 HydrophobicContact CG2-CD1 3.72Å
306A25.8Very low28.5Very low90 Ų90149 Ų14974%0.74481%0.81SS**PPolyproline II helixtrans-103.8121175.600000110.2
307T29.6Very low28.2Very low145 Ų145145.7 Ų145.789%0.8981%0.807SS**PPolyproline II helixtrans-103.8121.7160.742.60000108.8
308K25.9Very low27.8Very low206 Ų206139.9 Ų139.990%0.89680%0.799SS**PPolyproline II helixtrans-87.8128.3-172.9-68.4170175.11740111.3
309S29.9Very low27.5Very low109 Ų109135.9 Ų135.976%0.76280%0.795SS**  trans-155.7109144.6540000111.6
310T28.5Very low27.2Very low125 Ų125136.6 Ų136.677%0.76780%0.798SS**  trans-13.9142.3146.543.30000115.8
311T29.2Very low27Very low115 Ų115133.3 Ų133.371%0.70679%0.789SS**  cis-166.7163.525.1-5.10000113.2
312N30.7Very low26.9Very low156 Ų156135.2 Ų135.283%0.83479%0.794SS**  trans82.2110.9158.2-64.9-3.9000120
313Q26.1Very low27.6Very low170 Ų170139.7 Ų139.779%0.79480%0.802SS**  trans-84.9152.7175.5-57.7155.7-36.500111.7
314T27.9Very low28.9Very low146 Ų146136.7 Ų136.790%0.89679%0.788SS**  trans-136.4138.8134.143.10000109.7
315N23.7Very low31Very low138 Ų138132.9 Ų132.974%0.73877%0.765SS**  trans-82.7141.9-168.6-57.8-50.8000113
316I28.5Very low33.4Very low172 Ų172125.9 Ų125.988%0.88273%0.728SS**  trans-135.7126.6142.1-58.6-176.8000108.4
317S22.4Very low35.9Very low115 Ų115125.9 Ų125.980%0.80471%0.712SS**  trans-131.497.5-179.357.90000111.1
318A24.5Very low38.4Very low89 Ų89121.7 Ų121.774%0.73668%0.684SS**  trans179.9149.9168.900000107
319S25.6Very low40.9Very low112 Ų112113.8 Ų113.878%0.78365%0.651SS**  cis-159.3164.6-8.145.60000108.8
320T23.5Very low43.2Very low143 Ų143109.7 Ų109.788%0.87763%0.626SS**  trans-77.4118.1-174.2-42.80000112.9
321S25.8Very low45.7Very low96 Ų96106 Ų10667%0.67161%0.605SS**  trans171.1161.3148.844.80000111.4
322L29.4Very low48.3Very low167 Ų167100.8 Ų100.887%0.87457%0.573SS**  trans57.869.7169.2-62.2161.7000116.2
323K41.3Very low50.8Low184 Ų18494.4 Ų94.480%0.854%0.541SS*.  trans-86.6121.1160.2-77.6-163.8171.6-169.90111.5
324D56Low53.5Low91 Ų9187 Ų8749%0.48751%0.506SS..  trans64109.2153.3-45.3-29.7000117K283K283-D324 WeakPolarHBondContact CE-O 3.36Å; K283-D324 PolarHBondContact NZ-O 3.05Å
325E69Low55.5Low62 Ų6281.2 Ų81.229%0.2947%0.471SS..SBendtrans-82.9-16.5164.8-69.4-172.4165.300112.4I278I278-E325 PolarHBondContact N-O 3.19Å
326Y77.4Confident57.3Low13 Ų1381.8 Ų81.85%0.05147%0.47CS..EExtended strand (participates in β ladder)trans-128.3137.3-176.7-77.6-90000111.2I202 W216 L218 L263 F275 E276 H277I202-Y326 VanDerWaalsContact CD1-OH 3.27Å; I202-Y326 WeakPolarHBondContact CD1-OH 3.4Å; W216-Y326 AromaticContact CH2-CD2 3.93Å; W216-Y326 HydrophobicContact CH2-CD2 3.93Å; W216-Y326 AromaticContact CH2-CG 3.94Å; W216-Y326 HydrophobicContact CH2-CG 3.94Å; L218-Y326 HydrophobicContact CD2-CE2 4.28Å; L263-Y326 HydrophobicContact CB-CE1 4.22Å; F275-Y326 HydrophobicContact CB-CD1 4.03Å; E276-Y326 CarbonylContact O-C 3.56Å; E276-Y326 VanDerWaalsContact O-CA 3.24Å; E276-Y326 WeakPolarHBondContact O-CA 3.42Å; H277-Y326 HydrophobicContact CB-CD1 4.24Å; H277-Y326 HydrophobicContact CB-CE1 3.77Å; H277-Y326 AromaticContact CD2-CE2 3.95Å; H277-Y326 AromaticContact CD2-CZ 3.77Å
327Q79.6Confident58.4Low90 Ų9075.2 Ų75.242%0.42144%0.436SS..EExtended strand (participates in β ladder)trans-117.5131.5177.3178.7170.9-21.100110.5F275 E276 I278 L329F275-Q327 CarbonylContact C-O 3.51Å; F275-Q327 VanDerWaalsContact CA-O 3.27Å; F275-Q327 WeakPolarHBondContact CA-O 3.4Å; E276-Q327 PolarHBondContact N-O 2.73Å; E276-Q327 PolarHBondContact O-N 3.4Å; I278-Q327 HydrophobicContact CD1-CB 3.9Å; I278-Q327 HydrophobicContact CG1-CB 4.02Å; Q327-L329 PolarHBondContact O-N 3.21Å
328L81.6Confident59.3Low56 Ų5678.4 Ų78.429%0.29344%0.444SS..EExtended strand (participates in β ladder)trans-67.8119.4172-178.971.6000109.9I233 Y273 F275I233-L328 HydrophobicContact CD1-CD2 3.8Å; I233-L328 HydrophobicContact CG1-CD2 4.47Å; Y273-L328 HydrophobicContact CD1-CD1 3.98Å; Y273-L328 HydrophobicContact CG-CD1 4.42Å; F275-L328 HydrophobicContact CD1-CB 4.13Å; F275-L328 HydrophobicContact CD1-CD1 4.3Å; F275-L328 HydrophobicContact CE1-CB 3.96Å; F275-L328 HydrophobicContact CE1-CD1 3.91Å; F275-L328 HydrophobicContact CE2-CD1 4.23Å; F275-L328 HydrophobicContact CZ-CD1 3.88Å
329L78.7Confident60.3Low41 Ų4176 Ų7622%0.21542%0.418CS..EExtended strand (participates in β ladder)trans-87.1-39.3174.6-73.5-172000112.7W274 E276 Q327 I385W274-L329 HydrophobicContact CD2-CD1 4.32Å; W274-L329 HydrophobicContact CG-CD1 4.36Å; W274-L329 HydrophobicContact CZ2-CD1 4.3Å; W274-L329 PolarHBondContact O-N 2.8Å; E276-L329 HydrophobicContact CB-CD1 3.77Å; E276-L329 HydrophobicContact CB-CD2 4.16Å; E276-L329 HydrophobicContact CB-CG 3.75Å; E276-L329 HydrophobicContact CG-CD1 4.48Å; Q327-L329 PolarHBondContact O-N 3.21Å; L329-I385 HydrophobicContact CB-CD1 4.1Å; L329-I385 HydrophobicContact CD1-CD1 4.27Å; L329-I385 HydrophobicContact CD2-CD1 4.17Å; L329-I385 HydrophobicContact CG-CD1 4.42Å
330G77.8Confident61Low22 Ų2273.8 Ų73.823%0.22740%0.396CS..EExtended strand (participates in β ladder)trans173-172.1-174.800000113.2W274W274-G330 PolarHBondContact N-O 3.04Å
331S82.2Confident61.5Low48 Ų4871.5 Ų71.534%0.33638%0.379SS..EExtended strand (participates in β ladder)trans-139.6140.2179.855.40000112.3V272V272-S331 CarbonylContact O-C 3.57Å; V272-S331 VanDerWaalsContact O-CA 3.25Å; V272-S331 WeakPolarHBondContact O-CA 3.46Å
332V83.8Confident62.1Low5 Ų576.5 Ų76.53%0.0339%0.389CS..EExtended strand (participates in β ladder)trans-109.8128171.9-169.50000107.8V272 F376 I381 M411 F413V272-V332 PolarHBondContact N-O 3.18Å; V272-V332 PolarHBondContact O-N 3.18Å; V332-F376 HydrophobicContact CG1-CD2 3.54Å; V332-F376 HydrophobicContact CG1-CE2 3.7Å; V332-F376 HydrophobicContact CG1-CG 3.98Å; V332-F376 HydrophobicContact CG1-CZ 4.26Å; V332-F376 HydrophobicContact CG2-CD1 4.18Å; V332-F376 HydrophobicContact CG2-CD2 4.39Å; V332-F376 HydrophobicContact CG2-CE1 3.81Å; V332-F376 HydrophobicContact CG2-CE2 4.03Å; V332-F376 HydrophobicContact CG2-CG 4.45Å; V332-F376 HydrophobicContact CG2-CZ 3.72Å; V332-I381 HydrophobicContact CG2-CD1 3.71Å; V332-M411 WeakPolarHBondContact CA-O 3.36Å; V332-M411 HydrophobicContact CB-CB 4.33Å; V332-M411 HydrophobicContact CG1-CB 4.09Å; V332-M411 WeakPolarHBondContact CG1-O 3.39Å; V332-M411 HydrophobicContact CG2-CB 4.05Å; V332-M411 HydrophobicContact CG2-SD 4.31Å; V332-F413 HydrophobicContact CB-CD2 4.32Å; V332-F413 HydrophobicContact CB-CE2 3.89Å; V332-F413 HydrophobicContact CG1-CD2 3.48Å; V332-F413 VanDerWaalsContact CG1-CD2 3.48Å; V332-F413 HydrophobicContact CG1-CE2 3.5Å; V332-F413 HydrophobicContact CG1-CG 4.31Å; V332-F413 HydrophobicContact CG1-CZ 4.36Å
333C83.2Confident62.6Low23 Ų2375.8 Ų75.816%0.15539%0.386CS..EExtended strand (participates in β ladder)trans-98.6146.8174.958.10000110.7I271 T410 M411 K412 F413I271-C333 HydrophobicContact CG1-CB 4.5Å; C333-T410 PolarHBondContact SG-OG1 3.37Å; C333-T410 VanDerWaalsContact SG-OG1 3.41Å; C333-M411 PolarHBondContact N-O 3.46Å; C333-M411 PolarHBondContact SG-O 3.03Å; C333-K412 WeakPolarHBondContact O-CA 3.41Å; C333-F413 PolarHBondContact O-N 2.91Å
334L81.8Confident62.8Low13 Ų1368 Ų687%0.06835%0.354CS..PPolyproline II helixtrans-57.3142.6158.1-67.1179000108.4G270 E336 P350 I352 T368 Y374 F413G270-L334 PolarHBondContact O-N 3.35Å; L334-E336 PolarHBondContact O-N 2.96Å; L334-P350 HydrophobicContact CB-CG 4.47Å; L334-P350 HydrophobicContact CD1-CB 3.95Å; L334-P350 HydrophobicContact CD1-CG 3.69Å; L334-I352 HydrophobicContact CD1-CD1 4.25Å; L334-I352 HydrophobicContact CD1-CG1 3.75Å; L334-I352 HydrophobicContact CD2-CD1 4.34Å; L334-I352 HydrophobicContact CD2-CG1 4.42Å; L334-I352 HydrophobicContact CG-CD1 4.12Å; L334-I352 HydrophobicContact CG-CG1 4.17Å; L334-T368 HydrophobicContact CD1-CG2 3.73Å; L334-Y374 HydrophobicContact CD2-CD1 4.28Å; L334-Y374 HydrophobicContact CD2-CD2 3.55Å; L334-Y374 HydrophobicContact CD2-CE2 4.08Å; L334-Y374 HydrophobicContact CD2-CG 3.66Å; L334-F413 HydrophobicContact CD2-CB 4.06Å; L334-F413 HydrophobicContact CD2-CD2 3.85Å; L334-F413 HydrophobicContact CD2-CE2 4.47Å; L334-F413 HydrophobicContact CD2-CG 3.93Å
335P70.8Confident62.1Low25 Ų2571.3 Ų71.316%0.16237%0.372CS..PPolyproline II helixtrans-58.4139172.627.1-33.4000108.7D337 Y374 F413P335-D337 PolarHBondContact O-N 2.95Å; P335-D337 VanDerWaalsContact O-N 3.1Å; P335-Y374 HydrophobicContact CG-CD1 4.26Å; P335-Y374 HydrophobicContact CG-CE1 3.57Å; P335-F413 WeakPolarHBondContact CD-O 3.49Å
336E60.8Low61.2Low150 Ų15076.1 Ų76.170%0.70139%0.389SS*.PPolyproline II helixtrans-56.2117.9156.4-67.9176.8168.300105.8L334 L338L334-E336 PolarHBondContact O-N 2.96Å; E336-L338 PolarHBondContact O-N 3.46Å
337D50.5Low59.9Low34 Ų3480.1 Ų80.118%0.18241%0.411CS..PPolyproline II helixtrans-50.8118.5178.7-81.2-36.5000107.5P335 I339 I340 Y374P335-D337 PolarHBondContact O-N 2.95Å; P335-D337 VanDerWaalsContact O-N 3.1Å; D337-I339 PolarHBondContact O-N 3.43Å; D337-I340 HydrophobicContact CB-CD1 4.18Å; D337-I340 HydrophobicContact CB-CG1 4.15Å; D337-I340 WeakPolarHBondContact O-CG1 3.47Å; D337-I340 PolarHBondContact O-N 2.97Å; D337-Y374 PolarHBondContact OD1-OH 3.35Å; D337-Y374 VanDerWaalsContact OD1-OH 3.07Å
338L42.1Very low59Low183 Ų18381.7 Ų81.796%0.95842%0.421SS*.THydrogen-bonded Turntrans-59.70.4-175-79.3162.1000114.4E336E336-L338 PolarHBondContact O-N 3.46Å
339I45.2Very low58.5Low37 Ų3783.2 Ų83.219%0.1943%0.428CS..THydrogen-bonded Turntrans-100.8-15.3-172.8-53.6171.1000110.3D337 N341 L419 I459 Q461D337-I339 PolarHBondContact O-N 3.43Å; I339-N341 PolarHBondContact O-N 2.99Å; I339-L419 HydrophobicContact CD1-CD1 3.77Å; I339-I459 HydrophobicContact CD1-CD1 3.48Å; I339-I459 VanDerWaalsContact CD1-CD1 3.48Å; I339-I459 HydrophobicContact CD1-CG1 3.89Å; I339-I459 HydrophobicContact CD1-CG2 4.11Å; I339-Q461 HydrophobicContact CG2-CB 3.33Å; I339-Q461 HydrophobicContact CG2-CG 4.39Å; I339-Q461 PolarHBondContact O-OE1 3.46Å
340I40.5Very low58.6Low66 Ų6682 Ų8234%0.33842%0.423SS..  trans-67.898.9177.1-58.8168000109.5D337 K342D337-I340 HydrophobicContact CB-CD1 4.18Å; D337-I340 HydrophobicContact CB-CG1 4.15Å; D337-I340 WeakPolarHBondContact O-CG1 3.47Å; D337-I340 PolarHBondContact O-N 2.97Å; I340-K342 PolarHBondContact O-N 3.21Å
341N34.1Very low59Low95 Ų9583.6 Ų83.651%0.50843%0.426SS..  trans-55.1123157.4-86.9-33.2000108.2I339 D343 S344I339-N341 PolarHBondContact O-N 2.99Å; N341-D343 PolarHBondContact O-N 2.9Å; N341-S344 PolarHBondContact O-N 3.11Å
342K38.1Very low59.4Low202 Ų20281.3 Ų81.388%0.87841%0.41SS*.THydrogen-bonded Turntrans-58.9-12.9-176.9-66.8-178.4178174.20114.3I340I340-K342 PolarHBondContact O-N 3.21Å
343D41.1Very low59.7Low152 Ų15283.9 Ų83.981%0.81343%0.426SS*.THydrogen-bonded Turntrans-95.82.9-174.4-52.3-34.1000113.8N341N341-D343 PolarHBondContact O-N 2.9Å
344S43.7Very low60.2Low20 Ų2084.2 Ų84.214%0.1443%0.425CS..  trans-100120.9178.579.60000112.8N341 Y346N341-S344 PolarHBondContact O-N 3.11Å; S344-Y346 PolarHBondContact O-N 2.83Å
345D41.6Very low60.8Low161 Ų16184 Ų8486%0.86142%0.424SS*.SBendtrans-61.5-1.8-178.7-64.5-42.9000115.5N347D345-N347 PolarHBondContact O-N 3.49Å
346Y49.7Very low61.9Low163 Ų16385.4 Ų85.464%0.63943%0.428SS*.  trans-101.758.4-174.2-71.6-88.2000112.2S344 I348S344-Y346 PolarHBondContact O-N 2.83Å; Y346-I348 VanDerWaalsContact C-N 3.25Å; Y346-I348 PolarHBondContact O-N 2.85Å
347N50.7Low63.5Low96 Ų9679.1 Ų79.151%0.51340%0.399SS..  trans-74.376171.1-75.4-25.8000111.1D345 I349D345-N347 PolarHBondContact O-N 3.49Å; N347-I349 PolarHBondContact O-N 2.8Å
348I61.7Low65.6Low123 Ų12377.8 Ų77.863%0.63139%0.392SS*.  trans-77.8102.9170.2-57.6178000108Y346 P350Y346-I348 VanDerWaalsContact C-N 3.25Å; Y346-I348 PolarHBondContact O-N 2.85Å; I348-P350 WeakPolarHBondContact O-CD 3.49Å
349I70.4Confident67.9Low88 Ų8872.1 Ų72.145%0.45137%0.366SS..PPolyproline II helixtrans-68.7124173.9-59.1174.8000108.6N347 I351N347-I349 PolarHBondContact O-N 2.8Å; I349-I351 PolarHBondContact O-N 3Å
350P80.9Confident70Confident16 Ų1673.5 Ų73.510%0.10438%0.379CS..PPolyproline II helixtrans-65.2127.7177.324.6-32.3000111L334 I348 T368 T370L334-P350 HydrophobicContact CB-CG 4.47Å; L334-P350 HydrophobicContact CD1-CB 3.95Å; L334-P350 HydrophobicContact CD1-CG 3.69Å; I348-P350 WeakPolarHBondContact O-CD 3.49Å; P350-T368 HydrophobicContact CB-CG2 4.19Å; P350-T370 HydrophobicContact CB-CG2 4.19Å
351I86.5Confident72.4Confident56 Ų5674 Ų7429%0.28738%0.38SS..PPolyproline II helixtrans-92.3124.2-180-60.9176.6000108.5T254 I349 T353 T368 N369T254-I351 HydrophobicContact CG2-CG2 3.81Å; I349-I351 PolarHBondContact O-N 3Å; I351-T353 PolarHBondContact O-N 3.34Å; I351-T368 CarbonylContact O-C 3.59Å; I351-T368 VanDerWaalsContact O-CA 3.27Å; I351-T368 WeakPolarHBondContact O-CA 3.37Å; I351-N369 HydrophobicContact CB-CB 4.45Å; I351-N369 PolarHBondContact N-OD1 2.88Å; I351-N369 PolarHBondContact O-N 3.34Å; I351-N369 PolarHBondContact O-OD1 2.84Å
352I91Very high75Confident0 Ų072.2 Ų72.20%037%0.37CS..EExtended strand (participates in β ladder)trans-69.9116.6173.7-61.5173.1000108.8T254 A255 A266 V272 L334 L355 A366 A367T254-I352 WeakPolarHBondContact CB-O 3.39Å; T254-I352 PolarHBondContact OG1-O 3.19Å; A255-I352 HydrophobicContact CB-CG2 4.36Å; A266-I352 HydrophobicContact CB-CB 3.95Å; A266-I352 HydrophobicContact CB-CD1 4.22Å; A266-I352 HydrophobicContact CB-CG2 3.8Å; V272-I352 HydrophobicContact CG2-CD1 3.37Å; L334-I352 HydrophobicContact CD1-CD1 4.25Å; L334-I352 HydrophobicContact CD1-CG1 3.75Å; L334-I352 HydrophobicContact CD2-CD1 4.34Å; L334-I352 HydrophobicContact CD2-CG1 4.42Å; L334-I352 HydrophobicContact CG-CD1 4.12Å; L334-I352 HydrophobicContact CG-CG1 4.17Å; I352-L355 HydrophobicContact CG2-CD2 3.78Å; I352-L355 HydrophobicContact CG2-CG 4.06Å; I352-A366 HydrophobicContact CD1-CB 4.32Å; I352-A366 HydrophobicContact CG1-CB 4.41Å; I352-A366 HydrophobicContact CG2-CB 4.11Å; I352-A367 CarbonylContact C-O 3.54Å; I352-A367 VanDerWaalsContact CA-O 3.26Å; I352-A367 WeakPolarHBondContact CA-O 3.27Å
353T90.4Very high77.6Confident59 Ų5963.7 Ų63.736%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-95.9-21.8-178.954.60000113.4I351 A367 N369I351-T353 PolarHBondContact O-N 3.34Å; T353-A367 PolarHBondContact N-O 3.43Å; T353-A367 PolarHBondContact OG1-O 2.99Å; T353-N369 HydrophobicContact CG2-CB 3.81Å
354Q93Very high80.2Confident29 Ų2956.5 Ų56.514%0.13630%0.296CS..EExtended strand (participates in β ladder)trans-152141.5177.1-169.4179.4-11.900109.7G19 S20 I21 A366 A367G19-Q354 VanDerWaalsContact C-OE1 3.25Å; S20-Q354 PolarHBondContact OG-OE1 3Å; I21-Q354 PolarHBondContact O-NE2 3.29Å; Q354-A366 WeakPolarHBondContact O-CA 3.45Å; Q354-A367 HydrophobicContact CB-CB 3.88Å; Q354-A367 PolarHBondContact O-N 3.47Å
355L94.7Very high82.6Confident10 Ų1055.6 Ų55.65%0.05229%0.289CS..EExtended strand (participates in β ladder)trans-113139.5165-70.4179.4000108.3A255 A257 L264 A266 V272 I352 L364 I365 A366A255-L355 HydrophobicContact CB-CB 4.28Å; A255-L355 HydrophobicContact CB-CD1 4.49Å; A255-L355 HydrophobicContact CB-CG 3.97Å; A257-L355 HydrophobicContact CB-CB 3.87Å; L264-L355 HydrophobicContact CB-CD1 4.28Å; A266-L355 HydrophobicContact CB-CD1 3.77Å; A266-L355 HydrophobicContact CB-CG 4.08Å; V272-L355 HydrophobicContact CG1-CD1 3.94Å; V272-L355 HydrophobicContact CG2-CD1 4.3Å; V272-L355 HydrophobicContact CG2-CD2 4.03Å; I352-L355 HydrophobicContact CG2-CD2 3.78Å; I352-L355 HydrophobicContact CG2-CG 4.06Å; L355-L364 HydrophobicContact CB-CD1 4.28Å; L355-L364 HydrophobicContact CD2-CD1 4.22Å; L355-L364 HydrophobicContact CD2-CD2 4.42Å; L355-L364 HydrophobicContact CD2-CG 4.45Å; L355-I365 CarbonylContact C-O 3.56Å; L355-I365 WeakPolarHBondContact CA-O 3.28Å; L355-A366 HydrophobicContact CD2-CB 3.73Å
356Q94.1Very high85.1Confident54 Ų5447.9 Ų47.925%0.25225%0.248SC..EExtended strand (participates in β ladder)trans-142.1128.6179-175.563.547.900109.3I21 F23 I365I21-Q356 HydrophobicContact CG2-CB 4.23Å; I21-Q356 HydrophobicContact CG2-CG 4.38Å; I21-Q356 PolarHBondContact O-OE1 3.39Å; F23-Q356 HydrophobicContact CD2-CG 3.72Å; F23-Q356 HydrophobicContact CE2-CG 4.09Å; Q356-I365 PolarHBondContact N-O 2.95Å; Q356-I365 PolarHBondContact O-N 3.15Å
357I93.6Very high87.1Confident18 Ų1840.1 Ų40.19%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-102.5147.8177-53.4151.6000108.7F23 A257 S258 T259 L264 E361 L363 L364 L378F23-I357 VanDerWaalsContact CD2-C 3.48Å; F23-I357 VanDerWaalsContact CD2-O 3.25Å; F23-I357 WeakPolarHBondContact CD2-O 3.26Å; F23-I357 VanDerWaalsContact CE2-C 3.49Å; A257-I357 HydrophobicContact CB-CD1 3.59Å; A257-I357 HydrophobicContact CB-CG1 4.02Å; S258-I357 WeakPolarHBondContact O-CD1 3.43Å; T259-I357 HydrophobicContact CG2-CD1 3.61Å; L264-I357 HydrophobicContact CD1-CD1 4.19Å; L264-I357 HydrophobicContact CD1-CG1 4.31Å; I357-E361 HydrophobicContact CG2-CB 4.25Å; I357-E361 HydrophobicContact CG2-CG 4.29Å; I357-L363 WeakPolarHBondContact CA-O 3.46Å; I357-L364 HydrophobicContact CG1-CD1 3.79Å; I357-L378 HydrophobicContact CG2-CD1 4.24Å
358N93.7Very high89.1Confident6 Ų635.6 Ų35.63%0.03219%0.194CC..  trans-76.7162.3174.375.4-27.4000111.9F23 D26 S360 E361 D362 L363F23-N358 HydrophobicContact CD1-CB 3.79Å; F23-N358 VanDerWaalsContact CD2-CA 3.47Å; F23-N358 HydrophobicContact CD2-CB 3.9Å; F23-N358 HydrophobicContact CE1-CB 3.62Å; F23-N358 HydrophobicContact CE2-CB 3.76Å; F23-N358 VanDerWaalsContact CE2-N 3.34Å; F23-N358 HydrophobicContact CG-CB 3.92Å; F23-N358 HydrophobicContact CZ-CB 3.6Å; D26-N358 PolarHBondContact OD1-ND2 3.3Å; N358-S360 PolarHBondContact ND2-OG 2.85Å; N358-S360 PolarHBondContact O-N 3.15Å; N358-E361 PolarHBondContact O-N 3.17Å; N358-E361 VanDerWaalsContact O-N 3.14Å; N358-E361 PolarHBondContact OD1-N 3.45Å; N358-D362 PolarHBondContact ND2-OD1 3.25Å; N358-D362 PolarHBondContact OD1-N 2.99Å; N358-D362 VanDerWaalsContact OD1-N 3.09Å; N358-D362 PolarHBondContact OD1-OD1 3.38Å; N358-L363 HydrophobicContact CB-CB 4.27Å; N358-L363 PolarHBondContact N-O 3.41Å; N358-L363 VanDerWaalsContact N-O 3.08Å; N358-L363 PolarHBondContact OD1-N 3.03Å; N358-L363 PolarHBondContact OD1-O 3.36Å
359P90.6Very high90.4Very high63 Ų6332.7 Ų32.741%0.40918%0.18SC..THydrogen-bonded Turntrans-63.1-23.2-175.217.4-24.2000115.5D26D26-P359 WeakPolarHBondContact OD1-CD 3.45Å; D26-P359 VanDerWaalsContact OD1-CG 3.24Å; D26-P359 WeakPolarHBondContact OD1-CG 3.26Å
360S89.4Confident91.2Very high66 Ų6629.4 Ų29.446%0.46216%0.163SC..THydrogen-bonded Turntrans-86.6-2.6175.454.60000115.2D26 N358 D362D26-S360 VanDerWaalsContact OD1-CB 3.24Å; D26-S360 WeakPolarHBondContact OD1-CB 3.45Å; D26-S360 PolarHBondContact OD1-N 3.21Å; D26-S360 PolarHBondContact OD1-OG 3.23Å; N358-S360 PolarHBondContact ND2-OG 2.85Å; N358-S360 PolarHBondContact O-N 3.15Å; S360-D362 VanDerWaalsContact C-N 3.29Å; S360-D362 PolarHBondContact O-N 3.44Å; S360-D362 PolarHBondContact OG-OD1 3.31Å
361E91Very high91.6Very high77 Ų7730.2 Ų30.236%0.3617%0.166SC..SBendtrans60.323.1-179.8-56.1-167.3169.200116.5T259 A260 I357 N358 L378T259-E361 WeakPolarHBondContact CB-OE2 3.28Å; A260-E361 WeakPolarHBondContact CB-OE2 3.5Å; A260-E361 PolarHBondContact N-OE1 2.78Å; A260-E361 VanDerWaalsContact N-OE1 3.07Å; A260-E361 PolarHBondContact N-OE2 3.28Å; I357-E361 HydrophobicContact CG2-CB 4.25Å; I357-E361 HydrophobicContact CG2-CG 4.29Å; N358-E361 PolarHBondContact O-N 3.17Å; N358-E361 VanDerWaalsContact O-N 3.14Å; N358-E361 PolarHBondContact OD1-N 3.45Å; E361-L378 VanDerWaalsContact O-CD1 3.32Å; E361-L378 WeakPolarHBondContact O-CD1 3.35Å
362D90.2Very high91.9Very high57 Ų5727.7 Ų27.731%0.30515%0.153SC..SBendtrans-101.5-19.7176.581-21.1000114.3N358 S360 N377 L378N358-D362 PolarHBondContact ND2-OD1 3.25Å; N358-D362 PolarHBondContact OD1-N 2.99Å; N358-D362 VanDerWaalsContact OD1-N 3.09Å; N358-D362 PolarHBondContact OD1-OD1 3.38Å; S360-D362 VanDerWaalsContact C-N 3.29Å; S360-D362 PolarHBondContact O-N 3.44Å; S360-D362 PolarHBondContact OG-OD1 3.31Å; D362-N377 CarbonylContact O-C 3.47Å; D362-N377 WeakPolarHBondContact O-CA 3.47Å; D362-N377 PolarHBondContact O-OD1 3.25Å; D362-L378 PolarHBondContact O-N 3.45Å
363L92.4Very high92Very high24 Ų2427.8 Ų27.813%0.12615%0.153CC..EExtended strand (participates in β ladder)trans-122.8122.7-177.1-167.370.3000112F23 L42 I357 N358 Q375F23-L363 HydrophobicContact CE1-CD2 4.21Å; F23-L363 HydrophobicContact CZ-CD2 4.08Å; F23-L363 HydrophobicContact CZ-CG 4.47Å; L42-L363 HydrophobicContact CD1-CD2 3.56Å; I357-L363 WeakPolarHBondContact CA-O 3.46Å; N358-L363 HydrophobicContact CB-CB 4.27Å; N358-L363 PolarHBondContact N-O 3.41Å; N358-L363 VanDerWaalsContact N-O 3.08Å; N358-L363 PolarHBondContact OD1-N 3.03Å; N358-L363 PolarHBondContact OD1-O 3.36Å; L363-Q375 HydrophobicContact CD1-CB 4.3Å
364L94Very high92.1Very high1 Ų125 Ų251%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-103.4130.7173.2178.767.3000110.2L264 V272 L355 I357 Q375 F376 L378 F413L264-L364 HydrophobicContact CD1-CD1 3.82Å; L264-L364 HydrophobicContact CD1-CD2 3.95Å; L264-L364 HydrophobicContact CD1-CG 4.43Å; V272-L364 HydrophobicContact CG1-CD2 4.45Å; L355-L364 HydrophobicContact CB-CD1 4.28Å; L355-L364 HydrophobicContact CD2-CD1 4.22Å; L355-L364 HydrophobicContact CD2-CD2 4.42Å; L355-L364 HydrophobicContact CD2-CG 4.45Å; I357-L364 HydrophobicContact CG1-CD1 3.79Å; L364-Q375 CarbonylContact O-C 3.55Å; L364-Q375 VanDerWaalsContact O-CA 3.27Å; L364-Q375 WeakPolarHBondContact O-CA 3.37Å; L364-F376 PolarHBondContact N-O 2.83Å; L364-F376 PolarHBondContact O-N 3.43Å; L364-L378 HydrophobicContact CB-CD1 4.24Å; L364-L378 HydrophobicContact CB-CD2 4.09Å; L364-L378 HydrophobicContact CB-CG 4.08Å; L364-L378 HydrophobicContact CD2-CD2 4.33Å; L364-F413 HydrophobicContact CD2-CE1 4.04Å; L364-F413 HydrophobicContact CD2-CZ 3.74Å; L364-F413 HydrophobicContact CG-CE1 4.27Å; L364-F413 HydrophobicContact CG-CZ 4.42Å
365I94.6Very high92.1Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-112.4135.7169.8-68179.4000110.6I21 F23 I29 L42 L355 Q356 Y374 Q375 V416I21-I365 HydrophobicContact CD1-CG2 3.8Å; I21-I365 HydrophobicContact CG2-CG2 4.1Å; F23-I365 HydrophobicContact CE1-CD1 3.96Å; F23-I365 HydrophobicContact CE2-CB 4.45Å; F23-I365 HydrophobicContact CE2-CD1 4Å; F23-I365 HydrophobicContact CE2-CG1 4.22Å; F23-I365 HydrophobicContact CZ-CB 4.48Å; F23-I365 HydrophobicContact CZ-CD1 3.35Å; F23-I365 HydrophobicContact CZ-CG1 3.77Å; I29-I365 HydrophobicContact CD1-CD1 4.25Å; I29-I365 HydrophobicContact CG2-CD1 3.46Å; I29-I365 VanDerWaalsContact CG2-CD1 3.46Å; L42-I365 HydrophobicContact CD1-CD1 4.49Å; L355-I365 CarbonylContact C-O 3.56Å; L355-I365 WeakPolarHBondContact CA-O 3.28Å; Q356-I365 PolarHBondContact N-O 2.95Å; Q356-I365 PolarHBondContact O-N 3.15Å; I365-Y374 CarbonylContact C-O 3.56Å; I365-Y374 VanDerWaalsContact CA-O 3.23Å; I365-Y374 WeakPolarHBondContact CA-O 3.24Å; I365-Y374 WeakPolarHBondContact CG2-O 3.36Å; I365-Q375 HydrophobicContact CG1-CB 4.28Å; I365-V416 HydrophobicContact CD1-CG2 4.31Å; I365-V416 HydrophobicContact CG1-CG2 4.36Å; I365-V416 HydrophobicContact CG2-CG2 4.4Å
366A93.4Very high91.9Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)trans-115.7123.6175.200000110.5I352 Q354 L355 Y374 F413I352-A366 HydrophobicContact CD1-CB 4.32Å; I352-A366 HydrophobicContact CG1-CB 4.41Å; I352-A366 HydrophobicContact CG2-CB 4.11Å; Q354-A366 WeakPolarHBondContact O-CA 3.45Å; L355-A366 HydrophobicContact CD2-CB 3.73Å; A366-Y374 PolarHBondContact N-O 2.82Å; A366-Y374 PolarHBondContact O-N 2.85Å; A366-F413 HydrophobicContact CB-CD1 4.22Å; A366-F413 HydrophobicContact CB-CE1 3.7Å; A366-F413 HydrophobicContact CB-CZ 4.04Å
367A93.4Very high91.7Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-87.6144.7168.700000110Y13 I21 I352 T353 Q354Y13-A367 HydrophobicContact CE1-CB 4.23Å; I21-A367 HydrophobicContact CD1-CB 3.44Å; I21-A367 VanDerWaalsContact CD1-CB 3.44Å; I21-A367 HydrophobicContact CG1-CB 4.12Å; I352-A367 CarbonylContact C-O 3.54Å; I352-A367 VanDerWaalsContact CA-O 3.26Å; I352-A367 WeakPolarHBondContact CA-O 3.27Å; T353-A367 PolarHBondContact N-O 3.43Å; T353-A367 PolarHBondContact OG1-O 2.99Å; Q354-A367 HydrophobicContact CB-CB 3.88Å; Q354-A367 PolarHBondContact O-N 3.47Å
368T91.4Very high91.4Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-120.6156.417759.30000113.2T15 L334 P350 I351 T370 H371 Q372 Y374T15-T368 WeakPolarHBondContact CG2-O 3.46Å; L334-T368 HydrophobicContact CD1-CG2 3.73Å; P350-T368 HydrophobicContact CB-CG2 4.19Å; I351-T368 CarbonylContact O-C 3.59Å; I351-T368 VanDerWaalsContact O-CA 3.27Å; I351-T368 WeakPolarHBondContact O-CA 3.37Å; T368-T370 PolarHBondContact O-N 3.36Å; T368-T370 PolarHBondContact OG1-OG1 3.42Å; T368-H371 PolarHBondContact O-N 2.83Å; T368-Q372 PolarHBondContact N-O 3.44Å; T368-Q372 WeakPolarHBondContact OG1-CA 3.19Å; T368-Q372 WeakPolarHBondContact OG1-CB 3.34Å; T368-Q372 PolarHBondContact OG1-N 3.47Å; T368-Q372 PolarHBondContact OG1-O 3.33Å; T368-Y374 HydrophobicContact CG2-CD2 3.76Å; T368-Y374 HydrophobicContact CG2-CE2 3.92Å
369N89.1Confident90.8Very high63 Ų6329.5 Ų29.534%0.33716%0.161SC..THydrogen-bonded Turntrans-67.8-13.3171.370.4-30.4000113.7I351 T353 H371I351-N369 HydrophobicContact CB-CB 4.45Å; I351-N369 PolarHBondContact N-OD1 2.88Å; I351-N369 PolarHBondContact O-N 3.34Å; I351-N369 PolarHBondContact O-OD1 2.84Å; T353-N369 HydrophobicContact CG2-CB 3.81Å; N369-H371 VanDerWaalsContact C-N 3.33Å
370T87.6Confident90.2Very high18 Ų1830.3 Ų30.311%0.1116%0.162CC..THydrogen-bonded Turntrans-9424.6178.152.90000113.1P350 T368 Q372 N422P350-T370 HydrophobicContact CB-CG2 4.19Å; T368-T370 PolarHBondContact O-N 3.36Å; T368-T370 PolarHBondContact OG1-OG1 3.42Å; T370-Q372 PolarHBondContact O-N 2.84Å; T370-N422 VanDerWaalsContact O-CG 3.25Å; T370-N422 PolarHBondContact O-OD1 3.45Å
371H90.1Very high89.3Confident33 Ų3327.2 Ų27.215%0.15314%0.14CC..SBendtrans63.419.1177.7-59.5-98.4000115.1Y13 T15 T368 N369Y13-H371 PolarHBondContact O-ND1 2.8Å; T15-H371 HydrophobicContact CG2-CB 4.42Å; T15-H371 PolarHBondContact OG1-CE1 3.37Å; T15-H371 PolarHBondContact OG1-NE2 2.85Å; T368-H371 PolarHBondContact O-N 2.83Å; N369-H371 VanDerWaalsContact C-N 3.33Å
372Q91.3Very high87.9Confident4 Ų426.2 Ų26.22%0.01914%0.137CC..  trans-103.2151.1175.6-57.1-50.3-45.400114.2T368 T370 Y374 F420 N422T368-Q372 PolarHBondContact N-O 3.44Å; T368-Q372 WeakPolarHBondContact OG1-CA 3.19Å; T368-Q372 WeakPolarHBondContact OG1-CB 3.34Å; T368-Q372 PolarHBondContact OG1-N 3.47Å; T368-Q372 PolarHBondContact OG1-O 3.33Å; T370-Q372 PolarHBondContact O-N 2.84Å; Q372-Y374 HydrophobicContact CB-CD2 4.07Å; Q372-Y374 HydrophobicContact CB-CE2 3.5Å; Q372-Y374 HydrophobicContact CG-CE2 4.27Å; Q372-F420 PolarHBondContact NE2-O 3.14Å; Q372-N422 PolarHBondContact NE2-OD1 2.89Å
373L93Very high86.3Confident2 Ų226.9 Ų26.91%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-116.6125.9173.6-61.5-172.4000110.4Y13 I21 Y31 V416Y13-L373 HydrophobicContact CD1-CD2 3.64Å; Y13-L373 HydrophobicContact CD1-CG 4.21Å; Y13-L373 HydrophobicContact CD2-CD2 3.81Å; Y13-L373 HydrophobicContact CD2-CG 4.4Å; Y13-L373 HydrophobicContact CE1-CD2 3.94Å; Y13-L373 HydrophobicContact CE2-CD2 4.09Å; Y13-L373 HydrophobicContact CG-CD1 4.38Å; Y13-L373 HydrophobicContact CG-CD2 3.59Å; Y13-L373 HydrophobicContact CG-CG 3.94Å; I21-L373 HydrophobicContact CD1-CD2 3.37Å; I21-L373 HydrophobicContact CG1-CD2 4.31Å; Y31-L373 HydrophobicContact CD1-CD1 3.8Å; Y31-L373 HydrophobicContact CD2-CD1 4.05Å; Y31-L373 HydrophobicContact CE1-CD1 3.94Å; Y31-L373 HydrophobicContact CE2-CD1 4.18Å; Y31-L373 HydrophobicContact CG-CD1 3.86Å; L373-V416 HydrophobicContact CB-CB 3.86Å; L373-V416 HydrophobicContact CB-CG1 4.49Å; L373-V416 HydrophobicContact CB-CG2 3.96Å; L373-V416 PolarHBondContact O-N 3.08Å
374Y92.4Very high84.5Confident1 Ų128.9 Ų28.90%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-123.2145.4-176.2-76.2-74.4000111.2L334 P335 D337 I365 A366 T368 Q372 F413 I414 P415L334-Y374 HydrophobicContact CD2-CD1 4.28Å; L334-Y374 HydrophobicContact CD2-CD2 3.55Å; L334-Y374 HydrophobicContact CD2-CE2 4.08Å; L334-Y374 HydrophobicContact CD2-CG 3.66Å; P335-Y374 HydrophobicContact CG-CD1 4.26Å; P335-Y374 HydrophobicContact CG-CE1 3.57Å; D337-Y374 PolarHBondContact OD1-OH 3.35Å; D337-Y374 VanDerWaalsContact OD1-OH 3.07Å; I365-Y374 CarbonylContact C-O 3.56Å; I365-Y374 VanDerWaalsContact CA-O 3.23Å; I365-Y374 WeakPolarHBondContact CA-O 3.24Å; I365-Y374 WeakPolarHBondContact CG2-O 3.36Å; A366-Y374 PolarHBondContact N-O 2.82Å; A366-Y374 PolarHBondContact O-N 2.85Å; T368-Y374 HydrophobicContact CG2-CD2 3.76Å; T368-Y374 HydrophobicContact CG2-CE2 3.92Å; Q372-Y374 HydrophobicContact CB-CD2 4.07Å; Q372-Y374 HydrophobicContact CB-CE2 3.5Å; Q372-Y374 HydrophobicContact CG-CE2 4.27Å; Y374-F413 HydrophobicContact CD1-CB 4Å; Y374-F413 HydrophobicContact CG-CB 4.25Å; Y374-I414 CarbonylContact C-O 3.48Å; Y374-I414 WeakPolarHBondContact CA-O 3.39Å; Y374-P415 HydrophobicContact CD1-CG 4.4Å; Y374-P415 HydrophobicContact CE1-CG 3.99Å
375Q93.2Very high82.7Confident50 Ų5031 Ų3123%0.23417%0.165CC..EExtended strand (participates in β ladder)trans-125.7151.3177.154.9176.6-10.700111.7L363 L364 I365 I414 P415 V416L363-Q375 HydrophobicContact CD1-CB 4.3Å; L364-Q375 CarbonylContact O-C 3.55Å; L364-Q375 VanDerWaalsContact O-CA 3.27Å; L364-Q375 WeakPolarHBondContact O-CA 3.37Å; I365-Q375 HydrophobicContact CG1-CB 4.28Å; Q375-I414 HydrophobicContact CG-CB 4.46Å; Q375-I414 VanDerWaalsContact CG-O 3.28Å; Q375-I414 WeakPolarHBondContact CG-O 3.48Å; Q375-I414 PolarHBondContact N-O 3.32Å; Q375-I414 PolarHBondContact O-N 3.09Å; Q375-P415 PolarHBondContact NE2-O 2.84Å; Q375-P415 VanDerWaalsContact NE2-O 3.15Å; Q375-V416 HydrophobicContact CB-CG2 3.83Å; Q375-V416 HydrophobicContact CG-CG2 4.06Å
376F91.8Very high80.7Confident12 Ų1235.9 Ų35.95%0.05319%0.186CC..EExtended strand (participates in β ladder)trans-147.9132.5176-179.7-93.7000110.3V332 L364 L378 N380 I381 M411 F413V332-F376 HydrophobicContact CG1-CD2 3.54Å; V332-F376 HydrophobicContact CG1-CE2 3.7Å; V332-F376 HydrophobicContact CG1-CG 3.98Å; V332-F376 HydrophobicContact CG1-CZ 4.26Å; V332-F376 HydrophobicContact CG2-CD1 4.18Å; V332-F376 HydrophobicContact CG2-CD2 4.39Å; V332-F376 HydrophobicContact CG2-CE1 3.81Å; V332-F376 HydrophobicContact CG2-CE2 4.03Å; V332-F376 HydrophobicContact CG2-CG 4.45Å; V332-F376 HydrophobicContact CG2-CZ 3.72Å; L364-F376 PolarHBondContact N-O 2.83Å; L364-F376 PolarHBondContact O-N 3.43Å; F376-L378 HydrophobicContact CD1-CD2 4.29Å; F376-N380 HydrophobicContact CZ-CB 4.14Å; F376-I381 HydrophobicContact CD1-CD1 4.5Å; F376-I381 HydrophobicContact CE1-CD1 3.42Å; F376-I381 VanDerWaalsContact CE1-CD1 3.42Å; F376-I381 HydrophobicContact CE1-CG1 3.64Å; F376-I381 HydrophobicContact CZ-CD1 3.8Å; F376-I381 HydrophobicContact CZ-CG1 3.69Å; F376-M411 HydrophobicContact CE2-CB 3.99Å; F376-M411 HydrophobicContact CZ-CB 4.22Å; F376-M411 HydrophobicContact CZ-SD 4.49Å; F376-F413 HydrophobicContact CB-CD1 3.55Å; F376-F413 HydrophobicContact CB-CE1 3.55Å; F376-F413 HydrophobicContact CB-CG 4.13Å; F376-F413 HydrophobicContact CB-CZ 4.14Å
377N90.2Very high78.3Confident60 Ų6039.4 Ų39.432%0.32121%0.205SC..EExtended strand (participates in β ladder)trans-85114.6176.3-171.4-45.7000109.7D362 N379 N380D362-N377 CarbonylContact O-C 3.47Å; D362-N377 WeakPolarHBondContact O-CA 3.47Å; D362-N377 PolarHBondContact O-OD1 3.25Å; N377-N379 PolarHBondContact O-N 2.84Å; N377-N379 VanDerWaalsContact OD1-CB 3.26Å; N377-N379 WeakPolarHBondContact OD1-CB 3.48Å; N377-N379 PolarHBondContact OD1-N 3.39Å; N377-N379 PolarHBondContact OD1-ND2 3.28Å; N377-N380 WeakPolarHBondContact O-CB 3.36Å; N377-N380 PolarHBondContact O-N 2.91Å
378L85.7Confident76.1Confident7 Ų742.1 Ų42.14%0.03722%0.224CC..THydrogen-bonded Turntrans-64.2-25.3-174.4-69.7167.4000112.8L264 W274 I357 E361 D362 L364 F376 N380 I381L264-L378 HydrophobicContact CD1-CD2 4.06Å; L264-L378 HydrophobicContact CD2-CD2 4.41Å; W274-L378 HydrophobicContact CE3-CD2 4.12Å; W274-L378 HydrophobicContact CZ3-CB 4.22Å; W274-L378 HydrophobicContact CZ3-CD2 3.86Å; I357-L378 HydrophobicContact CG2-CD1 4.24Å; E361-L378 VanDerWaalsContact O-CD1 3.32Å; E361-L378 WeakPolarHBondContact O-CD1 3.35Å; D362-L378 PolarHBondContact O-N 3.45Å; L364-L378 HydrophobicContact CB-CD1 4.24Å; L364-L378 HydrophobicContact CB-CD2 4.09Å; L364-L378 HydrophobicContact CB-CG 4.08Å; L364-L378 HydrophobicContact CD2-CD2 4.33Å; F376-L378 HydrophobicContact CD1-CD2 4.29Å; L378-N380 PolarHBondContact O-N 3.29Å; L378-I381 PolarHBondContact O-N 3.34Å
379N82Confident73.9Confident81 Ų8147.5 Ų47.543%0.43325%0.249SC..Hα-helixtrans-65.1-18.5177.3-60.6-51.1000113.4N377 I381N377-N379 PolarHBondContact O-N 2.84Å; N377-N379 VanDerWaalsContact OD1-CB 3.26Å; N377-N379 WeakPolarHBondContact OD1-CB 3.48Å; N377-N379 PolarHBondContact OD1-N 3.39Å; N377-N379 PolarHBondContact OD1-ND2 3.28Å; N379-I381 PolarHBondContact O-N 2.89Å
380N76.9Confident71.6Confident80 Ų8048.2 Ų48.243%0.42825%0.253SS..Hα-helixtrans-71.5-8.6177.9-69.2-14.7000113.7F376 N377 L378 T383F376-N380 HydrophobicContact CZ-CB 4.14Å; N377-N380 WeakPolarHBondContact O-CB 3.36Å; N377-N380 PolarHBondContact O-N 2.91Å; L378-N380 PolarHBondContact O-N 3.29Å; N380-T383 PolarHBondContact O-OG1 3.27Å; N380-T383 VanDerWaalsContact O-OG1 3.04Å
381I70.9Confident69.4Low2 Ų249 Ų491%0.0126%0.261CS..Hα-helixtrans-86.7-44.9-178.5-61.6-171.2000110.5W274 V332 F376 L378 N379 T383 N384 I385 M411W274-I381 HydrophobicContact CE3-CB 4.05Å; W274-I381 HydrophobicContact CE3-CD1 3.33Å; W274-I381 HydrophobicContact CE3-CG1 4.15Å; W274-I381 HydrophobicContact CE3-CG2 3.91Å; W274-I381 HydrophobicContact CH2-CB 4.38Å; W274-I381 HydrophobicContact CZ3-CB 3.63Å; W274-I381 HydrophobicContact CZ3-CD1 3.58Å; W274-I381 HydrophobicContact CZ3-CG1 3.96Å; W274-I381 HydrophobicContact CZ3-CG2 3.9Å; V332-I381 HydrophobicContact CG2-CD1 3.71Å; F376-I381 HydrophobicContact CD1-CD1 4.5Å; F376-I381 HydrophobicContact CE1-CD1 3.42Å; F376-I381 VanDerWaalsContact CE1-CD1 3.42Å; F376-I381 HydrophobicContact CE1-CG1 3.64Å; F376-I381 HydrophobicContact CZ-CD1 3.8Å; F376-I381 HydrophobicContact CZ-CG1 3.69Å; L378-I381 PolarHBondContact O-N 3.34Å; N379-I381 PolarHBondContact O-N 2.89Å; I381-T383 PolarHBondContact O-N 3.42Å; I381-N384 PolarHBondContact O-N 3.43Å; I381-I385 HydrophobicContact CG2-CD1 3.93Å; I381-I385 WeakPolarHBondContact O-CG1 3.49Å; I381-I385 PolarHBondContact O-N 3.3Å; I381-M411 HydrophobicContact CB-CE 4.23Å; I381-M411 HydrophobicContact CD1-SD 4.07Å; I381-M411 HydrophobicContact CG1-CE 3.97Å; I381-M411 HydrophobicContact CG1-SD 3.7Å; I381-M411 HydrophobicContact CG2-CE 4.25Å
382D61.9Low67.3Low55 Ų5552.7 Ų52.729%0.29429%0.285SS..Hα-helixtrans-59.3-27.5175.1-71.6-1.3000112.5K261 K386K261-D382 IonicContact NZ-OD2 2.73Å; K261-D382 PolarHBondContact NZ-OD2 2.99Å; D382-K386 WeakPolarHBondContact O-CD 3.42Å; D382-K386 WeakPolarHBondContact O-CG 3.34Å
383T56Low65.1Low72 Ų7260 Ų6044%0.44232%0.317SS..Hα-helixtrans-79.9-44178.755.20000112.9N380 I381 K386 N387N380-T383 PolarHBondContact O-OG1 3.27Å; N380-T383 VanDerWaalsContact O-OG1 3.04Å; I381-T383 PolarHBondContact O-N 3.42Å; T383-K386 PolarHBondContact O-N 3.12Å; T383-N387 PolarHBondContact O-N 3.29Å; T383-N387 PolarHBondContact O-ND2 3.32Å
384N55.7Low62.8Low66 Ų6665.8 Ų65.835%0.35335%0.348SS..Hα-helixtrans-69.6-34.4-179.1-86.2-11.5000113.4I381 N387 S388 M411I381-N384 PolarHBondContact O-N 3.43Å; N384-N387 PolarHBondContact O-N 3.08Å; N384-S388 PolarHBondContact O-N 2.76Å; N384-M411 HydrophobicContact CB-CE 3.42Å; N384-M411 VanDerWaalsContact CB-CE 3.42Å; N384-M411 WeakPolarHBondContact ND2-CE 3.43Å
385I55.9Low60.5Low44 Ų4472.4 Ų72.423%0.22638%0.383CS..Hα-helixtrans-61.9-45.5175.2-65.4166000110.4L329 I381 N387 S388 E389L329-I385 HydrophobicContact CB-CD1 4.1Å; L329-I385 HydrophobicContact CD1-CD1 4.27Å; L329-I385 HydrophobicContact CD2-CD1 4.17Å; L329-I385 HydrophobicContact CG-CD1 4.42Å; I381-I385 HydrophobicContact CG2-CD1 3.93Å; I381-I385 WeakPolarHBondContact O-CG1 3.49Å; I381-I385 PolarHBondContact O-N 3.3Å; I385-N387 VanDerWaalsContact C-N 3.25Å; I385-N387 PolarHBondContact O-N 3.49Å; I385-S388 PolarHBondContact O-N 3.14Å; I385-S388 PolarHBondContact O-OG 2.79Å; I385-S388 VanDerWaalsContact O-OG 3.08Å; I385-E389 PolarHBondContact O-N 3.08Å; I385-E389 VanDerWaalsContact O-N 3.15Å
386K52.6Low58.4Low104 Ų10477.6 Ų77.645%0.45241%0.413SS..Hα-helixtrans-60.3-35.3176.7-70.4173-176.7177.40112.5D382 T383 L390 Y1030D382-K386 WeakPolarHBondContact O-CD 3.42Å; D382-K386 WeakPolarHBondContact O-CG 3.34Å; T383-K386 PolarHBondContact O-N 3.12Å; K386-L390 WeakPolarHBondContact O-CD1 3.37Å; K386-L390 WeakPolarHBondContact O-CG 3.28Å; K386-Y1030 PolarHBondContact NZ-OH 3.11Å
387N44Very low56.4Low74 Ų7483.5 Ų83.540%0.39644%0.444SS..Hα-helixtrans-72.8-38.7177.7-66.8-23.7000112.3T383 N384 I385 L390 A391 Y405T383-N387 PolarHBondContact O-N 3.29Å; T383-N387 PolarHBondContact O-ND2 3.32Å; N384-N387 PolarHBondContact O-N 3.08Å; I385-N387 VanDerWaalsContact C-N 3.25Å; I385-N387 PolarHBondContact O-N 3.49Å; N387-L390 PolarHBondContact O-N 3.43Å; N387-A391 PolarHBondContact O-N 2.96Å; N387-Y405 WeakPolarHBondContact CB-OH 3.48Å
388S46.8Very low54.1Low56 Ų5688.1 Ų88.139%0.39247%0.468SS..Hα-helixtrans-69.4-40.2179.775.80000112.7N384 I385 L390 A391 V392N384-S388 PolarHBondContact O-N 2.76Å; I385-S388 PolarHBondContact O-N 3.14Å; I385-S388 PolarHBondContact O-OG 2.79Å; I385-S388 VanDerWaalsContact O-OG 3.08Å; S388-L390 PolarHBondContact O-N 3.4Å; S388-A391 PolarHBondContact O-N 2.74Å; S388-A391 VanDerWaalsContact O-N 3.15Å; S388-V392 PolarHBondContact O-N 3.32Å
389E44.4Very low51.6Low114 Ų11491.5 Ų91.553%0.53351%0.505SS..Hα-helixtrans-62.9-24.2175.5-70.7-164.5165.400113.6I385I385-E389 PolarHBondContact O-N 3.08Å; I385-E389 VanDerWaalsContact O-N 3.15Å
390L41.4Very low49.4Very low78 Ų7895.2 Ų95.241%0.40852%0.524SS..Hα-helixtrans-82.8-28.1176.5-75.2166.9000113.1K386 N387 S388 N394 R1023K386-L390 WeakPolarHBondContact O-CD1 3.37Å; K386-L390 WeakPolarHBondContact O-CG 3.28Å; N387-L390 PolarHBondContact O-N 3.43Å; S388-L390 PolarHBondContact O-N 3.4Å; L390-N394 PolarHBondContact O-ND2 2.94Å; L390-R1023 VanDerWaalsContact CD2-NH2 3.26Å
391A40.2Very low47.6Very low35 Ų3598.8 Ų98.829%0.28954%0.542SS..Hα-helixtrans-71.6-51.9174.300000111.2N387 S388 K393 N394N387-A391 PolarHBondContact O-N 2.96Å; S388-A391 PolarHBondContact O-N 2.74Å; S388-A391 VanDerWaalsContact O-N 3.15Å; A391-K393 PolarHBondContact O-N 2.94Å; A391-N394 PolarHBondContact O-N 2.97Å
392V47.1Very low45.7Very low109 Ų109108.9 Ų108.966%0.66159%0.586SS**Hα-helixtrans-60.3-25.8-172.8176.80000113.5S388 N394S388-V392 PolarHBondContact O-N 3.32Å; V392-N394 VanDerWaalsContact C-N 3.33Å; V392-N394 PolarHBondContact O-N 3.21Å
393K45.8Very low44.4Very low158 Ų158115 Ų11569%0.68761%0.613SS**THydrogen-bonded Turntrans-80-8178.8-71.8174-177.6161.50114.6A391A391-K393 PolarHBondContact O-N 2.94Å
394N44.3Very low43.1Very low123 Ų123121 Ų12166%0.65864%0.636SS**THydrogen-bonded Turntrans-109.7-9-174.3-72.3-49000114.8L390 A391 V392 D396L390-N394 PolarHBondContact O-ND2 2.94Å; A391-N394 PolarHBondContact O-N 2.97Å; V392-N394 VanDerWaalsContact C-N 3.33Å; V392-N394 PolarHBondContact O-N 3.21Å; N394-D396 VanDerWaalsContact C-N 3.32Å; N394-D396 PolarHBondContact O-N 2.87Å
395D42.7Very low41.9Very low140 Ų140124.7 Ų124.775%0.74965%0.646SS**THydrogen-bonded Turntrans-74.9-10.9-172.9-83.1-30.6000115.4I397D395-I397 PolarHBondContact O-N 3.49Å
396D50.8Low40.7Very low160 Ų160128 Ų12886%0.85666%0.664SS**THydrogen-bonded Turntrans-83.7-5.2-171.3-87.9-20.5000115.7N394N394-D396 VanDerWaalsContact C-N 3.32Å; N394-D396 PolarHBondContact O-N 2.87Å
397I48.7Very low39.8Very low135 Ų135127.9 Ų127.969%0.69267%0.674SS**SBendtrans-135.897-175.8-51.1-178.2000113.8D395D395-I397 PolarHBondContact O-N 3.49Å
398N41.6Very low39.4Very low157 Ų157130.3 Ų130.384%0.8469%0.687SS**  trans56.295.5155.9-63-27.9000117.8
399G34.4Very low39.4Very low79 Ų79135.6 Ų135.681%0.81471%0.706SS**  trans-77.4142-178.800000116.2
400I36.1Very low40Very low159 Ų159134 Ų13482%0.81570%0.704SS**  trans-152.1150144.7-89.6144.5000104
401N38Very low41.5Very low154 Ų154131.8 Ų131.882%0.82469%0.692SS**  trans8279.1-169-50.9-16.1000114.7
402K31.2Very low43.6Very low215 Ų215135.3 Ų135.394%0.93570%0.701SS**  trans-99.981.6162.9-80.4-175.1171.3-176.90110.1
403E34.6Very low45.4Very low184 Ų184130.3 Ų130.386%0.8667%0.67SS**  trans-128.9107.3166-71.4-169.8158.700110.4
404Q29Very low47.4Very low198 Ų198128.2 Ų128.293%0.92567%0.665SS**  trans47.568.4155.5-58.8-178.2100118.3
405Y29.7Very low49.4Very low142 Ų142124.4 Ų124.456%0.55765%0.647SS**  trans-119.3110.5141.5-157.8-104.7000108.6N387 P407N387-Y405 WeakPolarHBondContact CB-OH 3.48Å; Y405-P407 VanDerWaalsContact O-CD 3.29Å; Y405-P407 WeakPolarHBondContact O-CD 3.44Å
406N31.1Very low51.5Low113 Ų113118.2 Ų118.260%0.60462%0.615SS**  trans-93.9107.5174.2-96.6-26.2000108.2N408 E409N406-N408 PolarHBondContact O-N 3.38Å; N406-E409 HydrophobicContact CB-CG 4.45Å; N406-E409 PolarHBondContact O-N 3.5Å
407P33.2Very low52.9Low102 Ų102111.8 Ų111.866%0.66258%0.582SS**THydrogen-bonded Turntrans-68.414171.930.8-36.6000113.5Y405Y405-P407 VanDerWaalsContact O-CD 3.29Å; Y405-P407 WeakPolarHBondContact O-CD 3.44Å
408N35.3Very low54.6Low126 Ų126107 Ų10767%0.67456%0.557SS**THydrogen-bonded Turntrans-116.49.1-175-66.3-19.2000112.7N406 T410N406-N408 PolarHBondContact O-N 3.38Å; N408-T410 PolarHBondContact O-N 2.85Å
409E48.2Very low56.8Low167 Ų167101.1 Ų101.178%0.7853%0.525SS*.  trans-69.498.8170.7-74.2-163.2153.900109.9N406N406-E409 HydrophobicContact CB-CG 4.45Å; N406-E409 PolarHBondContact O-N 3.5Å
410T57.3Low59.5Low81 Ų8197.6 Ų97.650%0.49749%0.487SS..  trans-65.2134.417551.60000110.1C333 N408 K412C333-T410 PolarHBondContact SG-OG1 3.37Å; C333-T410 VanDerWaalsContact SG-OG1 3.41Å; N408-T410 PolarHBondContact O-N 2.85Å; T410-K412 PolarHBondContact O-N 3.21Å
411M73.2Confident62.1Low31 Ų3190.1 Ų90.115%0.15345%0.449CS..EExtended strand (participates in β ladder)trans-61.5133.4173-65.3155.4177.200109.2V332 C333 F376 I381 N384V332-M411 WeakPolarHBondContact CA-O 3.36Å; V332-M411 HydrophobicContact CB-CB 4.33Å; V332-M411 HydrophobicContact CG1-CB 4.09Å; V332-M411 WeakPolarHBondContact CG1-O 3.39Å; V332-M411 HydrophobicContact CG2-CB 4.05Å; V332-M411 HydrophobicContact CG2-SD 4.31Å; C333-M411 PolarHBondContact N-O 3.46Å; C333-M411 PolarHBondContact SG-O 3.03Å; F376-M411 HydrophobicContact CE2-CB 3.99Å; F376-M411 HydrophobicContact CZ-CB 4.22Å; F376-M411 HydrophobicContact CZ-SD 4.49Å; I381-M411 HydrophobicContact CB-CE 4.23Å; I381-M411 HydrophobicContact CD1-SD 4.07Å; I381-M411 HydrophobicContact CG1-CE 3.97Å; I381-M411 HydrophobicContact CG1-SD 3.7Å; I381-M411 HydrophobicContact CG2-CE 4.25Å; N384-M411 HydrophobicContact CB-CE 3.42Å; N384-M411 VanDerWaalsContact CB-CE 3.42Å; N384-M411 WeakPolarHBondContact ND2-CE 3.43Å
412K82.4Confident64.4Low108 Ų10885.4 Ų85.447%0.4742%0.424SS..EExtended strand (participates in β ladder)trans-118.2140.9-177.9-71.8177.3-177.4-174.70111.6C333 T410C333-K412 WeakPolarHBondContact O-CA 3.41Å; T410-K412 PolarHBondContact O-N 3.21Å
413F85.9Confident67.1Low4 Ų475.6 Ų75.62%0.01838%0.384CS..  trans-65156.9163.1-78.4-96.6000111.1V272 V332 C333 L334 P335 L364 A366 Y374 F376V272-F413 HydrophobicContact CB-CE2 4.31Å; V272-F413 HydrophobicContact CB-CZ 4.47Å; V272-F413 HydrophobicContact CG2-CE2 3.76Å; V272-F413 HydrophobicContact CG2-CZ 3.82Å; V332-F413 HydrophobicContact CB-CD2 4.32Å; V332-F413 HydrophobicContact CB-CE2 3.89Å; V332-F413 HydrophobicContact CG1-CD2 3.48Å; V332-F413 VanDerWaalsContact CG1-CD2 3.48Å; V332-F413 HydrophobicContact CG1-CE2 3.5Å; V332-F413 HydrophobicContact CG1-CG 4.31Å; V332-F413 HydrophobicContact CG1-CZ 4.36Å; C333-F413 PolarHBondContact O-N 2.91Å; L334-F413 HydrophobicContact CD2-CB 4.06Å; L334-F413 HydrophobicContact CD2-CD2 3.85Å; L334-F413 HydrophobicContact CD2-CE2 4.47Å; L334-F413 HydrophobicContact CD2-CG 3.93Å; P335-F413 WeakPolarHBondContact CD-O 3.49Å; L364-F413 HydrophobicContact CD2-CE1 4.04Å; L364-F413 HydrophobicContact CD2-CZ 3.74Å; L364-F413 HydrophobicContact CG-CE1 4.27Å; L364-F413 HydrophobicContact CG-CZ 4.42Å; A366-F413 HydrophobicContact CB-CD1 4.22Å; A366-F413 HydrophobicContact CB-CE1 3.7Å; A366-F413 HydrophobicContact CB-CZ 4.04Å; Y374-F413 HydrophobicContact CD1-CB 4Å; Y374-F413 HydrophobicContact CG-CB 4.25Å; F376-F413 HydrophobicContact CB-CD1 3.55Å; F376-F413 HydrophobicContact CB-CE1 3.55Å; F376-F413 HydrophobicContact CB-CG 4.13Å; F376-F413 HydrophobicContact CB-CZ 4.14Å
414I87.5Confident69.9Low115 Ų11571 Ų7159%0.5936%0.362SS*.EExtended strand (participates in β ladder)trans-117.7143.2172.9-56.5174.6000107.4Y374 Q375Y374-I414 CarbonylContact C-O 3.48Å; Y374-I414 WeakPolarHBondContact CA-O 3.39Å; Q375-I414 HydrophobicContact CG-CB 4.46Å; Q375-I414 VanDerWaalsContact CG-O 3.28Å; Q375-I414 WeakPolarHBondContact CG-O 3.48Å; Q375-I414 PolarHBondContact N-O 3.32Å; Q375-I414 PolarHBondContact O-N 3.09Å
415P86.7Confident73.1Confident43 Ų4361.6 Ų61.628%0.27932%0.318SS..EExtended strand (participates in β ladder)trans-54.7143.5171.7-28.337.2000113.2Y374 Q375 S417 L419Y374-P415 HydrophobicContact CD1-CG 4.4Å; Y374-P415 HydrophobicContact CE1-CG 3.99Å; Q375-P415 PolarHBondContact NE2-O 2.84Å; Q375-P415 VanDerWaalsContact NE2-O 3.15Å; P415-S417 WeakPolarHBondContact CB-O 3.35Å; P415-L419 HydrophobicContact CB-CD2 4.3Å; P415-L419 HydrophobicContact CG-CD2 3.86Å; P415-L419 HydrophobicContact CG-CG 4.47Å
416V86.6Confident76.2Confident10 Ų1057.5 Ų57.56%0.06131%0.305CS..SBendtrans-70.6-37.8175.41650000111.7I29 Y40 L42 I365 L373 Q375I29-V416 HydrophobicContact CD1-CG1 3.81Å; Y40-V416 HydrophobicContact CD1-CG1 4.23Å; Y40-V416 HydrophobicContact CE1-CG1 4.01Å; L42-V416 HydrophobicContact CD2-CG1 3.62Å; I365-V416 HydrophobicContact CD1-CG2 4.31Å; I365-V416 HydrophobicContact CG1-CG2 4.36Å; I365-V416 HydrophobicContact CG2-CG2 4.4Å; L373-V416 HydrophobicContact CB-CB 3.86Å; L373-V416 HydrophobicContact CB-CG1 4.49Å; L373-V416 HydrophobicContact CB-CG2 3.96Å; L373-V416 PolarHBondContact O-N 3.08Å; Q375-V416 HydrophobicContact CB-CG2 3.83Å; Q375-V416 HydrophobicContact CG-CG2 4.06Å
417S81.2Confident79.2Confident25 Ų2552.3 Ų52.318%0.17528%0.278CS..SBendtrans-136.3-162.217957.70000108.1P415 F420P415-S417 WeakPolarHBondContact CB-O 3.35Å; S417-F420 WeakPolarHBondContact OG-CZ 3.14Å
418Q84Confident82.2Confident35 Ų3547.7 Ų47.716%0.16425%0.248CC..SBendtrans-64.3159.8165.8-50.2124.644.700110.7F420 W449 N454 D455 L456Q418-F420 PolarHBondContact O-N 2.86Å; Q418-W449 HydrophobicContact CB-CZ3 4.42Å; Q418-N454 PolarHBondContact NE2-O 3.34Å; Q418-D455 PolarHBondContact NE2-OD1 3.41Å; Q418-L456 HydrophobicContact CB-CB 3.7Å; Q418-L456 HydrophobicContact CB-CD2 4.24Å; Q418-L456 VanDerWaalsContact CD-N 3.34Å; Q418-L456 HydrophobicContact CG-CB 3.69Å; Q418-L456 VanDerWaalsContact OE1-N 3.15Å
419L87.5Confident85.1Confident33 Ų3342.3 Ų42.317%0.17322%0.219CC..PPolyproline II helixtrans-70.3126.1176.1-64.2170.6000110.5I339 P415 R447 W449I339-L419 HydrophobicContact CD1-CD1 3.77Å; P415-L419 HydrophobicContact CB-CD2 4.3Å; P415-L419 HydrophobicContact CG-CD2 3.86Å; P415-L419 HydrophobicContact CG-CG 4.47Å; L419-R447 VanDerWaalsContact C-NH1 3.33Å; L419-R447 PolarHBondContact O-NH1 3.5Å; L419-W449 WeakPolarHBondContact O-CH2 3.44Å
420F90.3Very high87.3Confident4 Ų435 Ų352%0.01819%0.186CC..PPolyproline II helixtrans-85.6169.9177.6-57.3-42.4000112.4F11 G12 Q372 S417 Q418 N422 R447F11-F420 HydrophobicContact CB-CD1 4.1Å; F11-F420 HydrophobicContact CB-CE1 4.13Å; F11-F420 HydrophobicContact CD1-CE1 4.35Å; G12-F420 VanDerWaalsContact C-CD2 3.43Å; G12-F420 VanDerWaalsContact CA-CG 3.46Å; G12-F420 VanDerWaalsContact N-CE1 3.26Å; Q372-F420 PolarHBondContact NE2-O 3.14Å; S417-F420 WeakPolarHBondContact OG-CZ 3.14Å; Q418-F420 PolarHBondContact O-N 2.86Å; F420-N422 PolarHBondContact O-OD1 3.49Å; F420-R447 PolarHBondContact O-NH1 3.28Å; F420-R447 PolarHBondContact O-NH2 2.94Å
421H90.3Very high89.1Confident3 Ų331.4 Ų31.41%0.01416%0.164CC..PPolyproline II helixtrans-69.2138.3174.6-87.1-67.8000111.7I425 T439 A441 D443 T445 R447 C693H421-I425 HydrophobicContact CB-CD1 4.38Å; H421-I425 HydrophobicContact CB-CG1 4.16Å; H421-T439 PolarHBondContact NE2-OG1 3.42Å; H421-A441 HydrophobicContact CB-CB 4.49Å; H421-A441 VanDerWaalsContact CE1-CB 3.48Å; H421-A441 WeakPolarHBondContact CE1-CB 3.49Å; H421-A441 VanDerWaalsContact ND1-CB 3.26Å; H421-A441 WeakPolarHBondContact ND1-CB 3.4Å; H421-D443 IonicContact CE1-OD2 2.61Å; H421-D443 IonicContact CG-OD2 2.71Å; H421-D443 IonicContact ND1-OD1 2.67Å; H421-D443 IonicContact ND1-OD2 2.65Å; H421-D443 PolarHBondContact ND1-OD2 3.19Å; H421-T445 PolarHBondContact CE1-OG1 3.18Å; H421-T445 PolarHBondContact ND1-OG1 3.45Å; H421-R447 VanDerWaalsContact CE1-CD 3.43Å; H421-R447 WeakPolarHBondContact CE1-CD 3.38Å; H421-R447 PolarHBondContact CE1-NE 3.3Å; H421-R447 VanDerWaalsContact CE1-NE 3.26Å; H421-R447 PolarHBondContact ND1-NE 2.91Å; H421-C693 HydrophobicContact CB-CB 4.37Å; H421-C693 WeakPolarHBondContact O-CB 3.17Å
422N87Confident89.7Confident55 Ų5533.3 Ų33.329%0.29417%0.174SC..SBendtrans-94.30.7178.5-60.88.9000111.7T370 Q372 F420 D443T370-N422 VanDerWaalsContact O-CG 3.25Å; T370-N422 PolarHBondContact O-OD1 3.45Å; Q372-N422 PolarHBondContact NE2-OD1 2.89Å; F420-N422 PolarHBondContact O-OD1 3.49Å; N422-D443 HydrophobicContact CB-CB 4.09Å; N422-D443 PolarHBondContact N-OD2 2.86Å; N422-D443 VanDerWaalsContact N-OD2 3.08Å
423G88.2Confident90Very high9 Ų934.9 Ų34.99%0.09318%0.177CC..SBendtrans-155.6169.4-173.700000111.9I425 T442 C693G423-I425 PolarHBondContact O-N 2.93Å; G423-T442 WeakPolarHBondContact CA-OG1 3.5Å; G423-C693 PolarHBondContact O-SG 3.35Å; G423-C693 VanDerWaalsContact O-SG 3.35Å
424Q93.1Very high90.2Very high88 Ų8835.4 Ų35.441%0.41118%0.18SC..  trans-60.3131-171.3-58.5-176.1-26.900111.1I426 A441 T442 N691Q424-I426 PolarHBondContact O-N 3.23Å; Q424-A441 CarbonylContact O-C 3.54Å; Q424-A441 WeakPolarHBondContact O-CA 3.44Å; Q424-A441 VanDerWaalsContact O-CB 3.24Å; Q424-A441 WeakPolarHBondContact O-CB 3.36Å; Q424-T442 HydrophobicContact CB-CG2 4.06Å; Q424-T442 PolarHBondContact N-OG1 3.39Å; Q424-T442 PolarHBondContact O-N 3.04Å; Q424-N691 HydrophobicContact CG-CB 4.29Å
425I95.8Very high90.4Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-80.6110.8179.6-54.3178.5000108.8H421 G423 T439 A441 T675 V689 I695H421-I425 HydrophobicContact CB-CD1 4.38Å; H421-I425 HydrophobicContact CB-CG1 4.16Å; G423-I425 PolarHBondContact O-N 2.93Å; I425-T439 HydrophobicContact CG2-CG2 4.12Å; I425-A441 HydrophobicContact CG1-CB 4.36Å; I425-T675 WeakPolarHBondContact O-CB 3.4Å; I425-T675 WeakPolarHBondContact O-CG2 3.27Å; I425-T675 PolarHBondContact O-OG1 3.43Å; I425-V689 HydrophobicContact CB-CB 4.15Å; I425-V689 HydrophobicContact CD1-CB 4.26Å; I425-V689 HydrophobicContact CD1-CG1 4.14Å; I425-V689 HydrophobicContact CG2-CB 3.83Å; I425-V689 HydrophobicContact CG2-CG1 4.06Å; I425-V689 HydrophobicContact CG2-CG2 4.03Å; I425-I695 HydrophobicContact CD1-CD1 4.33Å; I425-I695 HydrophobicContact CD1-CG1 3.56Å
426I94.8Very high90.8Very high56 Ų5628.5 Ų28.529%0.28714%0.142SC..EExtended strand (participates in β ladder)trans-84.7-39.7-173.7-58.1161.9000111Q424 C440 T442 V466 Y467Q424-I426 PolarHBondContact O-N 3.23Å; I426-C440 PolarHBondContact N-O 2.95Å; I426-T442 HydrophobicContact CD1-CG2 3.78Å; I426-T442 HydrophobicContact CG1-CG2 4.05Å; I426-V466 VanDerWaalsContact CD1-O 3.31Å; I426-V466 WeakPolarHBondContact CD1-O 3.45Å; I426-Y467 WeakPolarHBondContact CG2-O 3.21Å
427G93.9Very high91.3Very high3 Ų328 Ų283%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-140.7151.5-17100000112.5T439 C440G427-T439 WeakPolarHBondContact O-CA 3.47Å; G427-C440 PolarHBondContact N-O 3.46Å; G427-C440 PolarHBondContact O-N 3.43Å
428M96.7Very high92Very high6 Ų626.9 Ų26.93%0.0313%0.131CC..EExtended strand (participates in β ladder)trans-151.5140.7178.9178-168.370.300110.6I437 V438 T439 K676 K678 I687 V689M428-I437 HydrophobicContact CG-CG2 3.75Å; M428-I437 HydrophobicContact SD-CG2 4.1Å; M428-V438 WeakPolarHBondContact CA-O 3.27Å; M428-V438 WeakPolarHBondContact CG-O 3.48Å; M428-T439 HydrophobicContact CB-CG2 4.34Å; M428-T439 HydrophobicContact CG-CG2 4.18Å; M428-K676 HydrophobicContact CB-CB 4Å; M428-K676 HydrophobicContact CB-CG 4.46Å; M428-K676 HydrophobicContact CE-CB 4.09Å; M428-K678 HydrophobicContact CE-CB 4.01Å; M428-K678 HydrophobicContact CE-CG 4.05Å; M428-I687 HydrophobicContact CE-CB 4.44Å; M428-I687 HydrophobicContact CE-CG2 4.27Å; M428-I687 HydrophobicContact SD-CB 4.18Å; M428-I687 HydrophobicContact SD-CG2 3.41Å; M428-I687 WeakPolarHBondContact SD-CG2 3.36Å; M428-V689 HydrophobicContact CB-CG1 4.31Å; M428-V689 HydrophobicContact CB-CG2 3.72Å; M428-V689 HydrophobicContact CE-CG2 4.41Å; M428-V689 HydrophobicContact CG-CG1 4.28Å; M428-V689 HydrophobicContact CG-CG2 4.4Å; M428-V689 HydrophobicContact SD-CB 4.39Å; M428-V689 HydrophobicContact SD-CG1 3.61Å; M428-V689 HydrophobicContact SD-CG2 3.96Å
429D96.8Very high92.7Very high13 Ų1325.2 Ų25.27%0.0712%0.123CC..EExtended strand (participates in β ladder)trans-138.5165.8167.8-156.52.6000111.8I437 V438 A470 L471 K678D429-I437 CarbonylContact O-C 3.53Å; D429-I437 WeakPolarHBondContact O-CA 3.43Å; D429-V438 HydrophobicContact CB-CG1 3.81Å; D429-V438 PolarHBondContact N-O 2.97Å; D429-V438 PolarHBondContact O-N 2.91Å; D429-A470 WeakPolarHBondContact OD2-CA 3.16Å; D429-A470 WeakPolarHBondContact OD2-CB 3.43Å; D429-L471 HydrophobicContact CB-CB 4.48Å; D429-L471 PolarHBondContact OD2-N 2.88Å; D429-K678 WeakPolarHBondContact OD1-CE 3.49Å; D429-K678 IonicContact OD1-NZ 2.84Å; D429-K678 PolarHBondContact OD1-NZ 3.46Å; D429-K678 IonicContact OD2-NZ 2.67Å
430V94.9Very high93.1Very high14 Ų1423.6 Ų23.69%0.08512%0.115CC..EExtended strand (participates in β ladder)trans-135132.4-173.8-177.10000109.5L436 I437 F451 K678 A680 I687V430-L436 WeakPolarHBondContact CA-O 3.4Å; V430-I437 HydrophobicContact CG2-CG2 4.47Å; V430-F451 HydrophobicContact CG1-CE1 4.07Å; V430-K678 HydrophobicContact CG2-CB 3.88Å; V430-K678 HydrophobicContact CG2-CD 4.34Å; V430-A680 HydrophobicContact CG1-CB 3.69Å; V430-I687 HydrophobicContact CG1-CD1 4.12Å; V430-I687 HydrophobicContact CG2-CD1 3.61Å
431C93.5Very high93.3Very high5 Ų523.4 Ų23.43%0.03411%0.114CC..  trans-76.7147.6177.6-173.30000112.2K434 L436 L471 G475C431-K434 HydrophobicContact CB-CB 4.4Å; C431-K434 WeakPolarHBondContact CB-O 3.47Å; C431-L436 HydrophobicContact CB-CB 4.06Å; C431-L436 PolarHBondContact N-O 2.88Å; C431-L471 HydrophobicContact CB-CD1 4.14Å; C431-G475 WeakPolarHBondContact SG-CA 3.42Å; C431-G475 PolarHBondContact SG-N 3.35Å; C431-G475 VanDerWaalsContact SG-N 3.43Å
432L87.6Confident93.4Very high70 Ų7027 Ų2737%0.36614%0.136SC..SBendtrans-86.1-36.4177-64.8-176.5000113.6P473L432-P473 HydrophobicContact CB-CB 4.24Å; L432-P473 HydrophobicContact CD1-CB 3.91Å; L432-P473 HydrophobicContact CG-CB 4.23Å
433R87.6Confident93.4Very high141 Ų14125.3 Ų25.353%0.53213%0.127SC..SBendtrans-102.3-3.3-174.3-70.5-175.9167.3-160.8-0.4116P473 M717R433-P473 WeakPolarHBondContact CB-O 3.27Å; R433-P473 WeakPolarHBondContact CG-O 3.44Å; R433-P473 PolarHBondContact N-O 3.01Å; R433-M717 HydrophobicContact CB-CE 4.38Å; R433-M717 HydrophobicContact CB-CG 4.28Å; R433-M717 HydrophobicContact CB-SD 4.36Å; R433-M717 PolarHBondContact O-N 3.3Å; R433-M717 VanDerWaalsContact O-N 3.1Å
434K90.7Very high93.5Very high16 Ų1627 Ų277%0.0713%0.131CC..SBendtrans-139.1153.3179.2-64.4-165.9175.1-175.10108.9C431 L436 G475 M717 E719C431-K434 HydrophobicContact CB-CB 4.4Å; C431-K434 WeakPolarHBondContact CB-O 3.47Å; K434-L436 HydrophobicContact CB-CD1 4.03Å; K434-L436 HydrophobicContact CB-CG 3.82Å; K434-L436 HydrophobicContact CD-CD1 3.83Å; K434-L436 HydrophobicContact CD-CG 4.46Å; K434-L436 PolarHBondContact O-N 3.38Å; K434-G475 PolarHBondContact NZ-O 3.11Å; K434-M717 VanDerWaalsContact CE-O 3.3Å; K434-M717 WeakPolarHBondContact CE-O 3.44Å; K434-M717 HydrophobicContact CG-CB 4.37Å; K434-E719 WeakPolarHBondContact CE-O 3.15Å; K434-E719 PolarHBondContact NZ-O 3.36Å
435P92.2Very high93.5Very high10 Ų1023 Ų237%0.06511%0.112CC..SBendtrans-79.744.5-176.834.6-35.6000112N450 F451 E452 W716P435-N450 CarbonylContact O-C 3.44Å; P435-N450 VanDerWaalsContact O-CA 3.28Å; P435-N450 WeakPolarHBondContact O-CA 3.41Å; P435-F451 VanDerWaalsContact CA-CZ 3.49Å; P435-F451 HydrophobicContact CB-CD1 4.43Å; P435-F451 HydrophobicContact CB-CD2 4.3Å; P435-F451 HydrophobicContact CB-CE1 4.18Å; P435-F451 HydrophobicContact CB-CE2 4.01Å; P435-F451 HydrophobicContact CB-CG 4.49Å; P435-F451 HydrophobicContact CB-CZ 3.96Å; P435-F451 WeakPolarHBondContact O-CD1 3.47Å; P435-F451 PolarHBondContact O-N 3.48Å; P435-E452 HydrophobicContact CB-CB 3.86Å; P435-E452 HydrophobicContact CG-CB 4.29Å; P435-W716 HydrophobicContact CB-CD2 4.07Å; P435-W716 HydrophobicContact CB-CG 4.4Å; P435-W716 HydrophobicContact CB-CZ2 4.18Å; P435-W716 HydrophobicContact CG-CD2 4.19Å; P435-W716 HydrophobicContact CG-CG 4.03Å
436L94.7Very high93.5Very high3 Ų323.1 Ų23.12%0.01611%0.113CC..EExtended strand (participates in β ladder)trans-105.8133.9-170.7-56.2-178.5000112.8V430 C431 K434 I448 W449 N450 E457 L471V430-L436 WeakPolarHBondContact CA-O 3.4Å; C431-L436 HydrophobicContact CB-CB 4.06Å; C431-L436 PolarHBondContact N-O 2.88Å; K434-L436 HydrophobicContact CB-CD1 4.03Å; K434-L436 HydrophobicContact CB-CG 3.82Å; K434-L436 HydrophobicContact CD-CD1 3.83Å; K434-L436 HydrophobicContact CD-CG 4.46Å; K434-L436 PolarHBondContact O-N 3.38Å; L436-I448 HydrophobicContact CB-CG2 4.24Å; L436-I448 HydrophobicContact CD1-CG2 4.15Å; L436-I448 HydrophobicContact CD2-CG2 4.1Å; L436-I448 HydrophobicContact CG-CG2 4.38Å; L436-W449 CarbonylContact C-O 3.53Å; L436-W449 WeakPolarHBondContact CA-O 3.48Å; L436-N450 HydrophobicContact CD2-CB 4.32Å; L436-E457 WeakPolarHBondContact CD2-OE2 3.31Å; L436-L471 HydrophobicContact CB-CD1 4.49Å
437I96.2Very high93.5Very high0 Ų020.8 Ų20.80%010%0.101CC..EExtended strand (participates in β ladder)trans-105.1142.1162.9-39.4177.6000106.9M428 D429 V430 T439 I448 W449 F451 I687 I697M428-I437 HydrophobicContact CG-CG2 3.75Å; M428-I437 HydrophobicContact SD-CG2 4.1Å; D429-I437 CarbonylContact O-C 3.53Å; D429-I437 WeakPolarHBondContact O-CA 3.43Å; V430-I437 HydrophobicContact CG2-CG2 4.47Å; I437-T439 HydrophobicContact CG2-CG2 4.41Å; I437-I448 CarbonylContact O-C 3.11Å; I437-I448 WeakPolarHBondContact O-CA 3.36Å; I437-W449 HydrophobicContact CB-CB 4.27Å; I437-W449 PolarHBondContact N-O 3.48Å; I437-W449 PolarHBondContact O-N 3.18Å; I437-F451 HydrophobicContact CD1-CB 3.82Å; I437-F451 HydrophobicContact CD1-CD1 4.46Å; I437-F451 HydrophobicContact CG1-CB 3.97Å; I437-F451 HydrophobicContact CG1-CD1 3.77Å; I437-F451 HydrophobicContact CG1-CG 4.36Å; I437-I687 HydrophobicContact CD1-CD1 3.68Å; I437-I687 HydrophobicContact CD1-CG1 4.06Å; I437-I687 HydrophobicContact CD1-CG2 3.76Å; I437-I687 HydrophobicContact CG1-CD1 3.73Å; I437-I687 HydrophobicContact CG2-CG2 4.24Å; I437-I697 HydrophobicContact CD1-CD1 4.15Å; I437-I697 HydrophobicContact CD1-CG1 4.16Å
438V97.3Very high93.6Very high0 Ų020.8 Ų20.80%010%0.1CC..EExtended strand (participates in β ladder)trans-114.8144.1160.470.50000110.4M428 D429 V446 R447 I448 V469 L471 I478M428-V438 WeakPolarHBondContact CA-O 3.27Å; M428-V438 WeakPolarHBondContact CG-O 3.48Å; D429-V438 HydrophobicContact CB-CG1 3.81Å; D429-V438 PolarHBondContact N-O 2.97Å; D429-V438 PolarHBondContact O-N 2.91Å; V438-V446 HydrophobicContact CG2-CG1 3.64Å; V438-R447 CarbonylContact C-O 3.54Å; V438-R447 VanDerWaalsContact CA-O 3.28Å; V438-R447 WeakPolarHBondContact CA-O 3.27Å; V438-R447 WeakPolarHBondContact CG2-O 3.47Å; V438-I448 HydrophobicContact CB-CG1 4.46Å; V438-I448 HydrophobicContact CG2-CG1 4.05Å; V438-V469 HydrophobicContact CB-CG2 4.32Å; V438-V469 HydrophobicContact CG1-CB 4.35Å; V438-V469 HydrophobicContact CG1-CG1 3.83Å; V438-V469 HydrophobicContact CG1-CG2 3.61Å; V438-V469 HydrophobicContact CG2-CG2 3.7Å; V438-L471 HydrophobicContact CB-CD1 3.87Å; V438-L471 HydrophobicContact CB-CD2 4.26Å; V438-L471 HydrophobicContact CB-CG 3.98Å; V438-L471 HydrophobicContact CG1-CD1 3.75Å; V438-L471 HydrophobicContact CG1-CD2 4.24Å; V438-L471 HydrophobicContact CG1-CG 3.56Å; V438-I478 HydrophobicContact CG2-CD1 3.71Å
439T97.3Very high93.5Very high0 Ų020.5 Ų20.50%010%0.098CC..EExtended strand (participates in β ladder)trans-129.5149.4171.155.20000111.2H421 I425 G427 M428 I437 V446 R447 W449 V689 I695H421-T439 PolarHBondContact NE2-OG1 3.42Å; I425-T439 HydrophobicContact CG2-CG2 4.12Å; G427-T439 WeakPolarHBondContact O-CA 3.47Å; M428-T439 HydrophobicContact CB-CG2 4.34Å; M428-T439 HydrophobicContact CG-CG2 4.18Å; I437-T439 HydrophobicContact CG2-CG2 4.41Å; T439-V446 WeakPolarHBondContact O-CA 3.31Å; T439-R447 PolarHBondContact N-O 3.26Å; T439-R447 PolarHBondContact O-N 2.91Å; T439-W449 PolarHBondContact OG1-NE1 2.73Å; T439-V689 HydrophobicContact CG2-CG1 3.97Å; T439-I695 HydrophobicContact CG2-CD1 3.74Å; T439-I695 HydrophobicContact CG2-CG1 4.21Å
440C96Very high93.3Very high0 Ų020.6 Ų20.60%010%0.099CC..EExtended strand (participates in β ladder)trans-131.5139.7169.366.80000110.7I426 G427 T445 V446 V466 V469I426-C440 PolarHBondContact N-O 2.95Å; G427-C440 PolarHBondContact N-O 3.46Å; G427-C440 PolarHBondContact O-N 3.43Å; C440-T445 WeakPolarHBondContact CA-O 3.45Å; C440-V446 HydrophobicContact CB-CG2 4.16Å; C440-V466 HydrophobicContact CB-CB 4.26Å; C440-V466 HydrophobicContact CB-CG1 3.56Å; C440-V469 HydrophobicContact CB-CB 4.22Å; C440-V469 HydrophobicContact CB-CG1 4.11Å
441A94.6Very high93.2Very high0 Ų020 Ų200%010%0.095CC..EExtended strand (participates in β ladder)trans-138.4169.5-171.400000114H421 Q424 I425 D443 R444 T445H421-A441 HydrophobicContact CB-CB 4.49Å; H421-A441 VanDerWaalsContact CE1-CB 3.48Å; H421-A441 WeakPolarHBondContact CE1-CB 3.49Å; H421-A441 VanDerWaalsContact ND1-CB 3.26Å; H421-A441 WeakPolarHBondContact ND1-CB 3.4Å; Q424-A441 CarbonylContact O-C 3.54Å; Q424-A441 WeakPolarHBondContact O-CA 3.44Å; Q424-A441 VanDerWaalsContact O-CB 3.24Å; Q424-A441 WeakPolarHBondContact O-CB 3.36Å; I425-A441 HydrophobicContact CG1-CB 4.36Å; A441-D443 WeakPolarHBondContact CB-OD1 3.39Å; A441-D443 PolarHBondContact O-N 3.08Å; A441-D443 VanDerWaalsContact O-N 3.12Å; A441-R444 PolarHBondContact O-N 3.3Å; A441-R444 VanDerWaalsContact O-N 3.09Å; A441-T445 PolarHBondContact N-O 3.35Å
442T92Very high92.9Very high77 Ų7723.9 Ų23.947%0.47211%0.113SC..THydrogen-bonded Turntrans-64.5-11.2177.363.20000113.9G423 Q424 I426 R444G423-T442 WeakPolarHBondContact CA-OG1 3.5Å; Q424-T442 HydrophobicContact CB-CG2 4.06Å; Q424-T442 PolarHBondContact N-OG1 3.39Å; Q424-T442 PolarHBondContact O-N 3.04Å; I426-T442 HydrophobicContact CD1-CG2 3.78Å; I426-T442 HydrophobicContact CG1-CG2 4.05Å; T442-R444 PolarHBondContact O-N 2.9Å
443D87.9Confident92.9Very high20 Ų2024.3 Ų24.311%0.10712%0.118CC..THydrogen-bonded Turntrans-73.62.9171.1668.9000113.5H421 N422 A441 T445 R447 Q461H421-D443 IonicContact CE1-OD2 2.61Å; H421-D443 IonicContact CG-OD2 2.71Å; H421-D443 IonicContact ND1-OD1 2.67Å; H421-D443 IonicContact ND1-OD2 2.65Å; H421-D443 PolarHBondContact ND1-OD2 3.19Å; N422-D443 HydrophobicContact CB-CB 4.09Å; N422-D443 PolarHBondContact N-OD2 2.86Å; N422-D443 VanDerWaalsContact N-OD2 3.08Å; A441-D443 WeakPolarHBondContact CB-OD1 3.39Å; A441-D443 PolarHBondContact O-N 3.08Å; A441-D443 VanDerWaalsContact O-N 3.12Å; D443-T445 HydrophobicContact CB-CG2 4.5Å; D443-T445 PolarHBondContact O-N 3.38Å; D443-T445 VanDerWaalsContact OD1-CB 3.29Å; D443-T445 WeakPolarHBondContact OD1-CB 3.24Å; D443-T445 WeakPolarHBondContact OD1-CG2 3.27Å; D443-T445 PolarHBondContact OD1-N 2.74Å; D443-T445 PolarHBondContact OD1-OG1 2.93Å; D443-T445 PolarHBondContact OD2-OG1 3.35Å; D443-R447 IonicContact OD2-CZ 3.47Å; D443-R447 IonicContact OD2-NH2 2.73Å; D443-R447 PolarHBondContact OD2-NH2 3.28Å; D443-Q461 PolarHBondContact O-NE2 3.45Å
444R90.7Very high93.1Very high46 Ų4619.1 Ų19.117%0.17410%0.101CC..SBendtrans63.119.5-175.9-50.4176.4-68.5-153.7-4.5113.7A441 T442 Q461 Y462 A463A441-R444 PolarHBondContact O-N 3.3Å; A441-R444 VanDerWaalsContact O-N 3.09Å; T442-R444 PolarHBondContact O-N 2.9Å; R444-Q461 HydrophobicContact CB-CG 4.34Å; R444-Q461 WeakPolarHBondContact O-CA 3.45Å; R444-Y462 VanDerWaalsContact CB-O 3.23Å; R444-Y462 WeakPolarHBondContact CB-O 3.49Å; R444-Y462 WeakPolarHBondContact CD-O 3.48Å; R444-Y462 PolarHBondContact O-N 2.85Å; R444-A463 WeakPolarHBondContact CD-O 3.47Å; R444-A463 PolarHBondContact NH1-O 3.26Å
445T92.5Very high93.1Very high4 Ų421.2 Ų21.23%0.02511%0.113CC..EExtended strand (participates in β ladder)trans-97.4144.7175.171.30000111.9H421 C440 A441 D443 R447 K460 Q461H421-T445 PolarHBondContact CE1-OG1 3.18Å; H421-T445 PolarHBondContact ND1-OG1 3.45Å; C440-T445 WeakPolarHBondContact CA-O 3.45Å; A441-T445 PolarHBondContact N-O 3.35Å; D443-T445 HydrophobicContact CB-CG2 4.5Å; D443-T445 PolarHBondContact O-N 3.38Å; D443-T445 VanDerWaalsContact OD1-CB 3.29Å; D443-T445 WeakPolarHBondContact OD1-CB 3.24Å; D443-T445 WeakPolarHBondContact OD1-CG2 3.27Å; D443-T445 PolarHBondContact OD1-N 2.74Å; D443-T445 PolarHBondContact OD1-OG1 2.93Å; D443-T445 PolarHBondContact OD2-OG1 3.35Å; T445-R447 PolarHBondContact OG1-NE 3.45Å; T445-R447 PolarHBondContact OG1-NH2 3.45Å; T445-K460 CarbonylContact C-O 3.5Å; T445-K460 WeakPolarHBondContact CA-O 3.49Å; T445-Q461 HydrophobicContact CG2-CB 4.05Å; T445-Q461 HydrophobicContact CG2-CG 4.19Å
446V95.4Very high93.1Very high2 Ų222.3 Ų22.31%0.01212%0.118CC..EExtended strand (participates in β ladder)trans-111.2132.7161.1-179.20000107.3V438 T439 C440 K460 Y462 V466 V469 I478 I480 L496V438-V446 HydrophobicContact CG2-CG1 3.64Å; T439-V446 WeakPolarHBondContact O-CA 3.31Å; C440-V446 HydrophobicContact CB-CG2 4.16Å; V446-K460 PolarHBondContact N-O 3.25Å; V446-K460 PolarHBondContact O-N 2.98Å; V446-Y462 HydrophobicContact CB-CE2 4.25Å; V446-Y462 HydrophobicContact CG2-CD2 4.36Å; V446-Y462 HydrophobicContact CG2-CE2 3.9Å; V446-V466 HydrophobicContact CG2-CG1 4.14Å; V446-V466 HydrophobicContact CG2-CG2 4.1Å; V446-V469 HydrophobicContact CG1-CG2 4.36Å; V446-I478 HydrophobicContact CG1-CD1 3.89Å; V446-I480 HydrophobicContact CG1-CD1 4.23Å; V446-I480 HydrophobicContact CG2-CD1 4.12Å; V446-I480 HydrophobicContact CG2-CG1 4.49Å; V446-I480 HydrophobicContact CG2-CG2 4.14Å; V446-L496 HydrophobicContact CG1-CD1 4.32Å
447R95.2Very high92.9Very high7 Ų727 Ų273%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-132.9133.8-172-63-174.5-162.6-149.211.6110.6L419 F420 H421 V438 T439 D443 T445 W449 L456 L458 I459L419-R447 VanDerWaalsContact C-NH1 3.33Å; L419-R447 PolarHBondContact O-NH1 3.5Å; F420-R447 PolarHBondContact O-NH1 3.28Å; F420-R447 PolarHBondContact O-NH2 2.94Å; H421-R447 VanDerWaalsContact CE1-CD 3.43Å; H421-R447 WeakPolarHBondContact CE1-CD 3.38Å; H421-R447 PolarHBondContact CE1-NE 3.3Å; H421-R447 VanDerWaalsContact CE1-NE 3.26Å; H421-R447 PolarHBondContact ND1-NE 2.91Å; V438-R447 CarbonylContact C-O 3.54Å; V438-R447 VanDerWaalsContact CA-O 3.28Å; V438-R447 WeakPolarHBondContact CA-O 3.27Å; V438-R447 WeakPolarHBondContact CG2-O 3.47Å; T439-R447 PolarHBondContact N-O 3.26Å; T439-R447 PolarHBondContact O-N 2.91Å; D443-R447 IonicContact OD2-CZ 3.47Å; D443-R447 IonicContact OD2-NH2 2.73Å; D443-R447 PolarHBondContact OD2-NH2 3.28Å; T445-R447 PolarHBondContact OG1-NE 3.45Å; T445-R447 PolarHBondContact OG1-NH2 3.45Å; R447-W449 HydrophobicContact CB-CZ2 4.05Å; R447-W449 HydrophobicContact CG-CZ2 4.49Å; R447-L456 HydrophobicContact CB-CD1 3.81Å; R447-L456 HydrophobicContact CG-CD1 4.31Å; R447-L458 CarbonylContact C-O 3.57Å; R447-L458 WeakPolarHBondContact CA-O 3.41Å; R447-I459 HydrophobicContact CG-CB 4.34Å; R447-I459 HydrophobicContact CG-CD1 3.87Å; R447-I459 HydrophobicContact CG-CG1 3.89Å; R447-I459 VanDerWaalsContact CZ-CD1 3.4Å
448I95.8Very high92.7Very high2 Ų227.9 Ų27.91%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-111.3121.2177.2-58.6179.9000108.2L436 I437 V438 E457 L458 I491 L496L436-I448 HydrophobicContact CB-CG2 4.24Å; L436-I448 HydrophobicContact CD1-CG2 4.15Å; L436-I448 HydrophobicContact CD2-CG2 4.1Å; L436-I448 HydrophobicContact CG-CG2 4.38Å; I437-I448 CarbonylContact O-C 3.11Å; I437-I448 WeakPolarHBondContact O-CA 3.36Å; V438-I448 HydrophobicContact CB-CG1 4.46Å; V438-I448 HydrophobicContact CG2-CG1 4.05Å; I448-E457 PolarHBondContact O-N 2.88Å; I448-L458 HydrophobicContact CB-CB 4.21Å; I448-L458 HydrophobicContact CD1-CB 4.45Å; I448-L458 HydrophobicContact CD1-CD2 4.21Å; I448-L458 PolarHBondContact N-O 3.43Å; I448-L458 PolarHBondContact O-N 3.32Å; I448-I491 HydrophobicContact CD1-CD1 4.12Å; I448-I491 HydrophobicContact CD1-CG1 4.16Å; I448-I491 HydrophobicContact CD1-CG2 3.71Å; I448-L496 HydrophobicContact CD1-CD2 4.15Å
449W94.6Very high92.4Very high1 Ų130 Ų300%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-115.9138.4-176.1-46.581.6000109.7F11 Q418 L419 L436 I437 T439 R447 D455 L456 I695F11-W449 HydrophobicContact CB-CH2 4.41Å; F11-W449 HydrophobicContact CB-CZ3 4.19Å; F11-W449 AromaticContact CD1-CE3 3.95Å; F11-W449 HydrophobicContact CD1-CE3 3.95Å; F11-W449 AromaticContact CD1-CZ3 3.76Å; F11-W449 HydrophobicContact CD1-CZ3 3.76Å; F11-W449 HydrophobicContact CD2-CE3 4.15Å; F11-W449 HydrophobicContact CD2-CZ3 4.49Å; F11-W449 HydrophobicContact CE1-CE3 4.02Å; F11-W449 HydrophobicContact CE1-CZ3 4.22Å; F11-W449 HydrophobicContact CE2-CE3 4.19Å; F11-W449 HydrophobicContact CG-CE3 4.01Å; F11-W449 AromaticContact CG-CZ3 3.91Å; F11-W449 HydrophobicContact CG-CZ3 3.91Å; F11-W449 HydrophobicContact CZ-CE3 4.12Å; Q418-W449 HydrophobicContact CB-CZ3 4.42Å; L419-W449 WeakPolarHBondContact O-CH2 3.44Å; L436-W449 CarbonylContact C-O 3.53Å; L436-W449 WeakPolarHBondContact CA-O 3.48Å; I437-W449 HydrophobicContact CB-CB 4.27Å; I437-W449 PolarHBondContact N-O 3.48Å; I437-W449 PolarHBondContact O-N 3.18Å; T439-W449 PolarHBondContact OG1-NE1 2.73Å; R447-W449 HydrophobicContact CB-CZ2 4.05Å; R447-W449 HydrophobicContact CG-CZ2 4.49Å; W449-D455 CarbonylContact C-O 3.41Å; W449-D455 WeakPolarHBondContact CA-O 3.41Å; W449-L456 HydrophobicContact CD2-CD1 3.74Å; W449-L456 HydrophobicContact CE3-CB 3.87Å; W449-L456 HydrophobicContact CE3-CD1 3.8Å; W449-L456 HydrophobicContact CE3-CG 4.4Å; W449-L456 HydrophobicContact CG-CD1 4.37Å; W449-L456 HydrophobicContact CH2-CD1 4.08Å; W449-L456 HydrophobicContact CZ2-CD1 4.03Å; W449-L456 HydrophobicContact CZ3-CB 3.94Å; W449-L456 HydrophobicContact CZ3-CD1 3.96Å; W449-L456 HydrophobicContact CZ3-CG 4.38Å; W449-I695 HydrophobicContact CD2-CD1 3.9Å; W449-I695 HydrophobicContact CG-CD1 4.25Å; W449-I695 HydrophobicContact CH2-CD1 4.31Å; W449-I695 HydrophobicContact CZ2-CD1 3.52Å; W449-I695 VanDerWaalsContact NE1-CD1 3.29Å
450N92.7Very high92.2Very high15 Ų1532.4 Ų32.48%0.0817%0.166CC..EExtended strand (participates in β ladder)trans-93114.7171.6-174.3-43.4000109.3P435 L436 E452 T453 N454 D455 E457P435-N450 CarbonylContact O-C 3.44Å; P435-N450 VanDerWaalsContact O-CA 3.28Å; P435-N450 WeakPolarHBondContact O-CA 3.41Å; L436-N450 HydrophobicContact CD2-CB 4.32Å; N450-E452 VanDerWaalsContact C-N 3.27Å; N450-E452 PolarHBondContact O-N 2.83Å; N450-E452 WeakPolarHBondContact OD1-CB 3.47Å; N450-E452 PolarHBondContact OD1-N 2.96Å; N450-T453 VanDerWaalsContact CB-OG1 3.29Å; N450-T453 WeakPolarHBondContact CB-OG1 3.28Å; N450-T453 PolarHBondContact OD1-N 3.37Å; N450-T453 PolarHBondContact OD1-OG1 2.94Å; N450-N454 WeakPolarHBondContact O-CA 3.41Å; N450-N454 PolarHBondContact O-N 2.87Å; N450-D455 PolarHBondContact N-O 3.03Å; N450-D455 PolarHBondContact O-N 2.87Å; N450-E457 HydrophobicContact CB-CG 3.97Å; N450-E457 WeakPolarHBondContact CB-OE1 3.44Å; N450-E457 PolarHBondContact ND2-OE1 2.87Å
451F92Very high91.8Very high1 Ų134.4 Ų34.40%0.00418%0.176CC..THydrogen-bonded Turntrans-82.2-2.3-175.766.1-109.6000114.2K8 V430 P435 I437 A680 Y685 I687 I697 W716K8-F451 PolarHBondContact NZ-O 3.19Å; V430-F451 HydrophobicContact CG1-CE1 4.07Å; P435-F451 VanDerWaalsContact CA-CZ 3.49Å; P435-F451 HydrophobicContact CB-CD1 4.43Å; P435-F451 HydrophobicContact CB-CD2 4.3Å; P435-F451 HydrophobicContact CB-CE1 4.18Å; P435-F451 HydrophobicContact CB-CE2 4.01Å; P435-F451 HydrophobicContact CB-CG 4.49Å; P435-F451 HydrophobicContact CB-CZ 3.96Å; P435-F451 WeakPolarHBondContact O-CD1 3.47Å; P435-F451 PolarHBondContact O-N 3.48Å; I437-F451 HydrophobicContact CD1-CB 3.82Å; I437-F451 HydrophobicContact CD1-CD1 4.46Å; I437-F451 HydrophobicContact CG1-CB 3.97Å; I437-F451 HydrophobicContact CG1-CD1 3.77Å; I437-F451 HydrophobicContact CG1-CG 4.36Å; F451-A680 HydrophobicContact CE1-CB 4.07Å; F451-A680 HydrophobicContact CE2-CB 4.46Å; F451-A680 HydrophobicContact CZ-CB 3.94Å; F451-Y685 AromaticContact CD2-CD2 3.81Å; F451-Y685 HydrophobicContact CD2-CD2 3.81Å; F451-Y685 HydrophobicContact CD2-CE2 4.03Å; F451-Y685 AromaticContact CE2-CD2 3.66Å; F451-Y685 HydrophobicContact CE2-CD2 3.66Å; F451-Y685 AromaticContact CE2-CE2 3.92Å; F451-Y685 HydrophobicContact CE2-CE2 3.92Å; F451-I687 HydrophobicContact CD1-CD1 4.28Å; F451-I697 HydrophobicContact CB-CD1 3.72Å; F451-W716 HydrophobicContact CE2-CH2 4.31Å; F451-W716 HydrophobicContact CE2-CZ2 4.18Å; F451-W716 AromaticContact CZ-CH2 3.96Å; F451-W716 HydrophobicContact CZ-CH2 3.96Å; F451-W716 HydrophobicContact CZ-CZ2 4.25Å
452E88Confident91.6Very high86 Ų8635.7 Ų35.740%0.40218%0.18SC..THydrogen-bonded Turntrans-95.9-53.8176-171.4167.9-114.900111P435 N450 N454 W716P435-E452 HydrophobicContact CB-CB 3.86Å; P435-E452 HydrophobicContact CG-CB 4.29Å; N450-E452 VanDerWaalsContact C-N 3.27Å; N450-E452 PolarHBondContact O-N 2.83Å; N450-E452 WeakPolarHBondContact OD1-CB 3.47Å; N450-E452 PolarHBondContact OD1-N 2.96Å; E452-N454 VanDerWaalsContact C-N 3.27Å; E452-N454 PolarHBondContact O-ND2 3.49Å; E452-W716 PolarHBondContact OE1-NE1 3.24Å; E452-W716 PolarHBondContact OE2-NE1 2.82Å
453T88.8Confident91.4Very high79 Ų7935.5 Ų35.549%0.48519%0.187SC..THydrogen-bonded Turntrans-70.8-25.5172.161.90000112.3N450 D455N450-T453 VanDerWaalsContact CB-OG1 3.29Å; N450-T453 WeakPolarHBondContact CB-OG1 3.28Å; N450-T453 PolarHBondContact OD1-N 3.37Å; N450-T453 PolarHBondContact OD1-OG1 2.94Å; T453-D455 PolarHBondContact OG1-N 3.09Å
454N90.1Very high91.5Very high32 Ų3237.5 Ų37.517%0.17120%0.196CC..THydrogen-bonded Turntrans65.237.9-170.5-35.8-89.2000112.1F11 Q418 N450 E452F11-N454 HydrophobicContact CE1-CB 4.48Å; F11-N454 WeakPolarHBondContact CE1-O 3.39Å; F11-N454 HydrophobicContact CZ-CB 4.06Å; Q418-N454 PolarHBondContact NE2-O 3.34Å; N450-N454 WeakPolarHBondContact O-CA 3.41Å; N450-N454 PolarHBondContact O-N 2.87Å; E452-N454 VanDerWaalsContact C-N 3.27Å; E452-N454 PolarHBondContact O-ND2 3.49Å
455D91Very high91.5Very high60 Ų6040.5 Ų40.532%0.32121%0.212SC..EExtended strand (participates in β ladder)trans-116.5152.6177.7-80.4-49.5000114Q418 W449 N450 T453Q418-D455 PolarHBondContact NE2-OD1 3.41Å; W449-D455 CarbonylContact C-O 3.41Å; W449-D455 WeakPolarHBondContact CA-O 3.41Å; N450-D455 PolarHBondContact N-O 3.03Å; N450-D455 PolarHBondContact O-N 2.87Å; T453-D455 PolarHBondContact OG1-N 3.09Å
456L92Very high91.6Very high34 Ų3440.4 Ų40.418%0.17821%0.211CC..EExtended strand (participates in β ladder)trans-84.3109.9172.4177.369.9000108.1Q418 R447 W449 I459Q418-L456 HydrophobicContact CB-CB 3.7Å; Q418-L456 HydrophobicContact CB-CD2 4.24Å; Q418-L456 VanDerWaalsContact CD-N 3.34Å; Q418-L456 HydrophobicContact CG-CB 3.69Å; Q418-L456 VanDerWaalsContact OE1-N 3.15Å; R447-L456 HydrophobicContact CB-CD1 3.81Å; R447-L456 HydrophobicContact CG-CD1 4.31Å; W449-L456 HydrophobicContact CD2-CD1 3.74Å; W449-L456 HydrophobicContact CE3-CB 3.87Å; W449-L456 HydrophobicContact CE3-CD1 3.8Å; W449-L456 HydrophobicContact CE3-CG 4.4Å; W449-L456 HydrophobicContact CG-CD1 4.37Å; W449-L456 HydrophobicContact CH2-CD1 4.08Å; W449-L456 HydrophobicContact CZ2-CD1 4.03Å; W449-L456 HydrophobicContact CZ3-CB 3.94Å; W449-L456 HydrophobicContact CZ3-CD1 3.96Å; W449-L456 HydrophobicContact CZ3-CG 4.38Å; L456-I459 HydrophobicContact CD2-CB 4.28Å; L456-I459 HydrophobicContact CD2-CD1 4.4Å; L456-I459 HydrophobicContact CD2-CG2 4.46Å
457E90.6Very high91.5Very high100 Ų10043 Ų4347%0.46722%0.221SC..EExtended strand (participates in β ladder)trans-80.2-42.4-178.9-66.9-171.2173.600112L436 I448 N450L436-E457 WeakPolarHBondContact CD2-OE2 3.31Å; I448-E457 PolarHBondContact O-N 2.88Å; N450-E457 HydrophobicContact CB-CG 3.97Å; N450-E457 WeakPolarHBondContact CB-OE1 3.44Å; N450-E457 PolarHBondContact ND2-OE1 2.87Å
458L91.9Very high91.6Very high19 Ų1942.8 Ų42.810%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-145.2140.6-174.7-171.264.5000112R447 I448 D494 L496R447-L458 CarbonylContact C-O 3.57Å; R447-L458 WeakPolarHBondContact CA-O 3.41Å; I448-L458 HydrophobicContact CB-CB 4.21Å; I448-L458 HydrophobicContact CD1-CB 4.45Å; I448-L458 HydrophobicContact CD1-CD2 4.21Å; I448-L458 PolarHBondContact N-O 3.43Å; I448-L458 PolarHBondContact O-N 3.32Å; L458-D494 VanDerWaalsContact CD1-C 3.43Å; L458-D494 WeakPolarHBondContact CD1-O 3.36Å; L458-L496 HydrophobicContact CD2-CD2 3.46Å; L458-L496 VanDerWaalsContact CD2-CD2 3.46Å; L458-L496 HydrophobicContact CD2-CG 3.72Å
459I92.4Very high91.6Very high45 Ų4543.1 Ų43.123%0.23122%0.223CC..EExtended strand (participates in β ladder)trans-136132.2174.3-178.9157000110I339 R447 L456I339-I459 HydrophobicContact CD1-CD1 3.48Å; I339-I459 VanDerWaalsContact CD1-CD1 3.48Å; I339-I459 HydrophobicContact CD1-CG1 3.89Å; I339-I459 HydrophobicContact CD1-CG2 4.11Å; R447-I459 HydrophobicContact CG-CB 4.34Å; R447-I459 HydrophobicContact CG-CD1 3.87Å; R447-I459 HydrophobicContact CG-CG1 3.89Å; R447-I459 VanDerWaalsContact CZ-CD1 3.4Å; L456-I459 HydrophobicContact CD2-CB 4.28Å; L456-I459 HydrophobicContact CD2-CD1 4.4Å; L456-I459 HydrophobicContact CD2-CG2 4.46Å
460K92Very high91.7Very high51 Ų5143 Ų4322%0.22222%0.222CC..EExtended strand (participates in β ladder)trans-139.2125.9174.6-173160.7-178.7164.60111T445 V446 Y462 D495 L496T445-K460 CarbonylContact C-O 3.5Å; T445-K460 WeakPolarHBondContact CA-O 3.49Å; V446-K460 PolarHBondContact N-O 3.25Å; V446-K460 PolarHBondContact O-N 2.98Å; K460-Y462 HydrophobicContact CB-CE2 4.21Å; K460-Y462 HydrophobicContact CD-CE1 4.15Å; K460-Y462 HydrophobicContact CD-CE2 4.39Å; K460-Y462 WeakPolarHBondContact CD-OH 3.04Å; K460-Y462 HydrophobicContact CG-CE1 4.27Å; K460-Y462 HydrophobicContact CG-CE2 3.92Å; K460-D495 WeakPolarHBondContact CD-OD1 3.45Å; K460-D495 WeakPolarHBondContact CE-OD1 3.34Å; K460-D495 IonicContact NZ-OD1 3.39Å; K460-D495 PolarHBondContact NZ-OD1 3.44Å; K460-D495 IonicContact NZ-OD2 2.79Å; K460-D495 PolarHBondContact NZ-OD2 3.31Å; K460-L496 HydrophobicContact CD-CB 4.05Å; K460-L496 HydrophobicContact CD-CG 4.5Å; K460-L496 PolarHBondContact NZ-O 2.93Å
461Q88.6Confident91.9Very high42 Ų4242.6 Ų42.620%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-95145.1171-171.1171.546.400110.8I339 D443 R444 T445I339-Q461 HydrophobicContact CG2-CB 3.33Å; I339-Q461 HydrophobicContact CG2-CG 4.39Å; I339-Q461 PolarHBondContact O-OE1 3.46Å; D443-Q461 PolarHBondContact O-NE2 3.45Å; R444-Q461 HydrophobicContact CB-CG 4.34Å; R444-Q461 WeakPolarHBondContact O-CA 3.45Å; T445-Q461 HydrophobicContact CG2-CB 4.05Å; T445-Q461 HydrophobicContact CG2-CG 4.19Å
462Y90Very high92.1Very high26 Ų2643.2 Ų43.210%0.10222%0.223CC..  trans-118.5155.8175.1-60.9-89.4000110.1R444 V446 K460 E464 V466 F482 M489R444-Y462 VanDerWaalsContact CB-O 3.23Å; R444-Y462 WeakPolarHBondContact CB-O 3.49Å; R444-Y462 WeakPolarHBondContact CD-O 3.48Å; R444-Y462 PolarHBondContact O-N 2.85Å; V446-Y462 HydrophobicContact CB-CE2 4.25Å; V446-Y462 HydrophobicContact CG2-CD2 4.36Å; V446-Y462 HydrophobicContact CG2-CE2 3.9Å; K460-Y462 HydrophobicContact CB-CE2 4.21Å; K460-Y462 HydrophobicContact CD-CE1 4.15Å; K460-Y462 HydrophobicContact CD-CE2 4.39Å; K460-Y462 WeakPolarHBondContact CD-OH 3.04Å; K460-Y462 HydrophobicContact CG-CE1 4.27Å; K460-Y462 HydrophobicContact CG-CE2 3.92Å; Y462-E464 VanDerWaalsContact C-N 3.32Å; Y462-V466 HydrophobicContact CD2-CG2 4.32Å; Y462-F482 AromaticContact CD1-CE1 3.66Å; Y462-F482 HydrophobicContact CD1-CE1 3.66Å; Y462-F482 AromaticContact CD1-CZ 3.73Å; Y462-F482 HydrophobicContact CD1-CZ 3.73Å; Y462-F482 AromaticContact CD2-CE1 3.8Å; Y462-F482 HydrophobicContact CD2-CE1 3.8Å; Y462-F482 HydrophobicContact CD2-CZ 4.04Å; Y462-F482 HydrophobicContact CE1-CE1 4.14Å; Y462-F482 AromaticContact CE1-CZ 3.71Å; Y462-F482 HydrophobicContact CE1-CZ 3.71Å; Y462-F482 HydrophobicContact CE2-CE1 4.26Å; Y462-F482 HydrophobicContact CE2-CZ 4.02Å; Y462-F482 AromaticContact CG-CE1 3.47Å; Y462-F482 HydrophobicContact CG-CE1 3.47Å; Y462-F482 VanDerWaalsContact CG-CE1 3.47Å; Y462-F482 AromaticContact CG-CZ 3.89Å; Y462-F482 HydrophobicContact CG-CZ 3.89Å; Y462-F482 AromaticContact CZ-CZ 3.85Å; Y462-M489 HydrophobicContact CE1-CE 4.03Å; Y462-M489 WeakPolarHBondContact OH-CE 3.41Å; Y462-M489 PolarHBondContact OH-SD 3.35Å; Y462-M489 VanDerWaalsContact OH-SD 3.39Å
463A87.2Confident92.3Very high74 Ų7439.9 Ų39.961%0.61221%0.209SC*.SBendtrans-71.7-31.8172.500000111.8R444R444-A463 WeakPolarHBondContact CD-O 3.47Å; R444-A463 PolarHBondContact NH1-O 3.26Å
464E89.8Confident92.4Very high62 Ų6238.8 Ų38.829%0.2920%0.199SC..SBendtrans-85.5152.6179.2-65.7164149.300111.8Y462 F482 R487Y462-E464 VanDerWaalsContact C-N 3.32Å; E464-F482 HydrophobicContact CB-CD1 4Å; E464-R487 IonicContact OE1-NH2 2.68Å; E464-R487 PolarHBondContact OE1-NH2 2.89Å; E464-R487 IonicContact OE2-CZ 2.67Å; E464-R487 IonicContact OE2-NH1 3.62Å; E464-R487 PolarHBondContact OE2-NH1 3.04Å; E464-R487 IonicContact OE2-NH2 2.78Å; E464-R487 PolarHBondContact OE2-NH2 2.98Å
465E90.9Very high92.5Very high108 Ų10837.2 Ų37.251%0.50519%0.191SC..  trans-70.4142.7173-65-176.1172.400111.8Y467 F482 S483E465-Y467 HydrophobicContact CB-CE2 4.16Å; E465-Y467 VanDerWaalsContact OE2-CZ 3.28Å; E465-Y467 PolarHBondContact OE2-OH 3.48Å; E465-F482 WeakPolarHBondContact O-CA 3.44Å; E465-S483 PolarHBondContact O-N 3.37Å
466V94.5Very high92.6Very high2 Ų235.4 Ų35.41%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-107.8128.5175.7-176.90000109.5I426 C440 V446 Y462 I480 G481 F482I426-V466 VanDerWaalsContact CD1-O 3.31Å; I426-V466 WeakPolarHBondContact CD1-O 3.45Å; C440-V466 HydrophobicContact CB-CB 4.26Å; C440-V466 HydrophobicContact CB-CG1 3.56Å; V446-V466 HydrophobicContact CG2-CG1 4.14Å; V446-V466 HydrophobicContact CG2-CG2 4.1Å; Y462-V466 HydrophobicContact CD2-CG2 4.32Å; V466-I480 HydrophobicContact CB-CG2 4.49Å; V466-I480 HydrophobicContact CG1-CG2 3.51Å; V466-I480 HydrophobicContact CG2-CG2 4.18Å; V466-G481 WeakPolarHBondContact CA-O 3.29Å; V466-F482 HydrophobicContact CG2-CD1 3.93Å; V466-F482 HydrophobicContact CG2-CE1 3.64Å; V466-F482 HydrophobicContact CG2-CZ 4.4Å
467Y94.8Very high92.8Very high56 Ų5636.8 Ų36.822%0.2219%0.186CC..EExtended strand (participates in β ladder)trans-110.5-24.8-175.4-65.4-71.3000114.5I426 E465 G481 C507I426-Y467 WeakPolarHBondContact CG2-O 3.21Å; E465-Y467 HydrophobicContact CB-CE2 4.16Å; E465-Y467 VanDerWaalsContact OE2-CZ 3.28Å; E465-Y467 PolarHBondContact OE2-OH 3.48Å; Y467-G481 PolarHBondContact N-O 3.23Å; Y467-C507 WeakPolarHBondContact CB-O 3.42Å
468S95.2Very high93.1Very high3 Ų332 Ų322%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-154.5159.2177.6590000111.5G481 C507 C510S468-G481 PolarHBondContact O-N 2.8Å; S468-C507 WeakPolarHBondContact CB-O 3.33Å; S468-C507 PolarHBondContact OG-O 3.44Å; S468-C510 PolarHBondContact OG-SG 3.22Å
469V97.1Very high93.3Very high9 Ų931.1 Ų31.16%0.05516%0.159CC..EExtended strand (participates in β ladder)trans-147.7142.6178.667.30000110V438 C440 V446 I478 L479 I480V438-V469 HydrophobicContact CB-CG2 4.32Å; V438-V469 HydrophobicContact CG1-CB 4.35Å; V438-V469 HydrophobicContact CG1-CG1 3.83Å; V438-V469 HydrophobicContact CG1-CG2 3.61Å; V438-V469 HydrophobicContact CG2-CG2 3.7Å; C440-V469 HydrophobicContact CB-CB 4.22Å; C440-V469 HydrophobicContact CB-CG1 4.11Å; V446-V469 HydrophobicContact CG1-CG2 4.36Å; V469-I478 HydrophobicContact CG2-CD1 3.71Å; V469-I478 HydrophobicContact CG2-CG1 3.9Å; V469-L479 CarbonylContact C-O 3.5Å; V469-L479 VanDerWaalsContact CA-O 3.31Å; V469-L479 WeakPolarHBondContact CA-O 3.46Å; V469-I480 HydrophobicContact CG2-CG1 4.21Å
470A97.3Very high93.6Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-140.3145171.300000111.5D429 I478 L479 F512D429-A470 WeakPolarHBondContact OD2-CA 3.16Å; D429-A470 WeakPolarHBondContact OD2-CB 3.43Å; A470-I478 WeakPolarHBondContact O-CA 3.46Å; A470-I478 WeakPolarHBondContact O-CG1 3.28Å; A470-L479 HydrophobicContact CB-CB 4.35Å; A470-L479 PolarHBondContact N-O 3.46Å; A470-L479 PolarHBondContact O-N 3.16Å; A470-F512 HydrophobicContact CB-CD2 3.85Å; A470-F512 HydrophobicContact CB-CE2 4.06Å
471L96.2Very high93.8Very high5 Ų526.6 Ų26.63%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-101.6134.7174.9-76.8170000110.3D429 C431 L436 V438 I478 I491 F512D429-L471 HydrophobicContact CB-CB 4.48Å; D429-L471 PolarHBondContact OD2-N 2.88Å; C431-L471 HydrophobicContact CB-CD1 4.14Å; L436-L471 HydrophobicContact CB-CD1 4.49Å; V438-L471 HydrophobicContact CB-CD1 3.87Å; V438-L471 HydrophobicContact CB-CD2 4.26Å; V438-L471 HydrophobicContact CB-CG 3.98Å; V438-L471 HydrophobicContact CG1-CD1 3.75Å; V438-L471 HydrophobicContact CG1-CD2 4.24Å; V438-L471 HydrophobicContact CG1-CG 3.56Å; L471-I478 HydrophobicContact CD2-CB 4.32Å; L471-I478 HydrophobicContact CD2-CG1 4.27Å; L471-I491 HydrophobicContact CD2-CD1 3.64Å; L471-F512 VanDerWaalsContact O-CD2 3.28Å; L471-F512 WeakPolarHBondContact O-CD2 3.44Å
472H95.8Very high94.1Very high14 Ų1424.6 Ų24.67%0.06513%0.128CC..  trans-68.6140.3169.1-172.2-93.8000109.5I474 G475 F477 F512 G516H472-I474 VanDerWaalsContact CE1-CD1 3.5Å; H472-I474 WeakPolarHBondContact CE1-CD1 3.43Å; H472-I474 PolarHBondContact ND1-N 3.35Å; H472-I474 PolarHBondContact O-N 3.35Å; H472-G475 PolarHBondContact O-N 3.3Å; H472-F477 HydrophobicContact CB-CB 3.8Å; H472-F477 HydrophobicContact CB-CD2 4.24Å; H472-F477 WeakPolarHBondContact CB-O 3.33Å; H472-F477 AromaticContact CG-CD2 3.9Å; H472-F477 PolarHBondContact N-O 3Å; H472-F477 AromaticContact ND1-CD2 3.87Å; H472-F512 HydrophobicContact CB-CD2 4.35Å; H472-F512 HydrophobicContact CB-CE1 4.3Å; H472-F512 HydrophobicContact CB-CE2 4.12Å; H472-F512 HydrophobicContact CB-CZ 4.09Å; H472-F512 AromaticContact CD2-CD1 3.7Å; H472-F512 AromaticContact CD2-CE1 3.77Å; H472-G516 VanDerWaalsContact NE2-CA 3.34Å; H472-G516 WeakPolarHBondContact NE2-CA 3.47Å; H472-G516 PolarHBondContact NE2-O 3.48Å
473P92.8Very high94.3Very high16 Ų1625.3 Ų25.310%0.10414%0.137CC..THydrogen-bonded Turntrans-59.2-16.5-173.821.1-35.3000115.8L432 R433 N514L432-P473 HydrophobicContact CB-CB 4.24Å; L432-P473 HydrophobicContact CD1-CB 3.91Å; L432-P473 HydrophobicContact CG-CB 4.23Å; R433-P473 WeakPolarHBondContact CB-O 3.27Å; R433-P473 WeakPolarHBondContact CG-O 3.44Å; R433-P473 PolarHBondContact N-O 3.01Å; P473-N514 WeakPolarHBondContact CG-O 3.15Å
474I91.3Very high94.5Very high56 Ų5623.7 Ų23.729%0.28712%0.118SC..THydrogen-bonded Turntrans-78.2-24.5173.7-59.4-180000112.5H472 L476 M717H472-I474 VanDerWaalsContact CE1-CD1 3.5Å; H472-I474 WeakPolarHBondContact CE1-CD1 3.43Å; H472-I474 PolarHBondContact ND1-N 3.35Å; H472-I474 PolarHBondContact O-N 3.35Å; I474-L476 HydrophobicContact CG2-CB 4.45Å; I474-L476 HydrophobicContact CG2-CD1 3.98Å; I474-L476 HydrophobicContact CG2-CG 4Å; I474-M717 HydrophobicContact CG2-CE 3.81Å
475G91.7Very high94.8Very high0 Ų024 Ų240%012%0.119CC..SBendtrans78.226-179.500000114.9C431 K434 H472C431-G475 WeakPolarHBondContact SG-CA 3.42Å; C431-G475 PolarHBondContact SG-N 3.35Å; C431-G475 VanDerWaalsContact SG-N 3.43Å; K434-G475 PolarHBondContact NZ-O 3.11Å; H472-G475 PolarHBondContact O-N 3.3Å
476L93.5Very high95.1Very high22 Ų2218.9 Ų18.912%0.11510%0.095CC..SBendtrans-120.7-14.2176.7-62.9-177.3000113.8I474 I491 L721I474-L476 HydrophobicContact CG2-CB 4.45Å; I474-L476 HydrophobicContact CG2-CD1 3.98Å; I474-L476 HydrophobicContact CG2-CG 4Å; L476-I491 PolarHBondContact O-N 2.89Å; L476-L721 HydrophobicContact CB-CD1 3.99Å; L476-L721 HydrophobicContact CB-CG 4.5Å; L476-L721 HydrophobicContact CD1-CG 4.32Å; L476-L721 HydrophobicContact CD2-CD1 4.46Å; L476-L721 HydrophobicContact CD2-CG 4.11Å
477F94.8Very high95.2Very high63 Ų6319.9 Ų19.928%0.27610%0.098SC..EExtended strand (participates in β ladder)trans-127.2147178.8-46.5-60.6000110.3H472 M489 N490 F499H472-F477 HydrophobicContact CB-CB 3.8Å; H472-F477 HydrophobicContact CB-CD2 4.24Å; H472-F477 WeakPolarHBondContact CB-O 3.33Å; H472-F477 AromaticContact CG-CD2 3.9Å; H472-F477 PolarHBondContact N-O 3Å; H472-F477 AromaticContact ND1-CD2 3.87Å; F477-M489 WeakPolarHBondContact CA-O 3.45Å; F477-N490 VanDerWaalsContact CD1-OD1 3.25Å; F477-N490 WeakPolarHBondContact CD1-OD1 3.32Å; F477-N490 VanDerWaalsContact CE1-OD1 3.23Å; F477-N490 WeakPolarHBondContact CE1-OD1 3.12Å; F477-F499 AromaticContact CD1-CE1 3.81Å; F477-F499 HydrophobicContact CD1-CE1 3.81Å; F477-F499 HydrophobicContact CD1-CZ 4.05Å; F477-F499 HydrophobicContact CE1-CE1 4.36Å; F477-F499 HydrophobicContact CE1-CZ 4.41Å
478I96.9Very high95.3Very high0 Ų017.4 Ų17.40%09%0.089CC..EExtended strand (participates in β ladder)trans-136140.3-179.3-173.6179.5000109.6V438 V446 V469 A470 L471 I480 M489 I491 L496V438-I478 HydrophobicContact CG2-CD1 3.71Å; V446-I478 HydrophobicContact CG1-CD1 3.89Å; V469-I478 HydrophobicContact CG2-CD1 3.71Å; V469-I478 HydrophobicContact CG2-CG1 3.9Å; A470-I478 WeakPolarHBondContact O-CA 3.46Å; A470-I478 WeakPolarHBondContact O-CG1 3.28Å; L471-I478 HydrophobicContact CD2-CB 4.32Å; L471-I478 HydrophobicContact CD2-CG1 4.27Å; I478-I480 HydrophobicContact CD1-CD1 3.94Å; I478-I480 HydrophobicContact CD1-CG1 3.93Å; I478-I480 HydrophobicContact CG1-CD1 4.33Å; I478-I480 HydrophobicContact CG1-CG1 3.96Å; I478-I480 HydrophobicContact CG2-CD1 4.34Å; I478-M489 HydrophobicContact CG2-CB 3.8Å; I478-M489 PolarHBondContact N-O 2.9Å; I478-M489 PolarHBondContact O-N 3.22Å; I478-I491 HydrophobicContact CB-CD1 4.13Å; I478-I491 HydrophobicContact CB-CG1 3.98Å; I478-I491 HydrophobicContact CG2-CG1 3.86Å; I478-L496 HydrophobicContact CD1-CD1 4.31Å; I478-L496 HydrophobicContact CG2-CD1 4.42Å; I478-L496 HydrophobicContact CG2-CD2 4.06Å
479L97.2Very high95.3Very high0 Ų017.3 Ų17.30%09%0.088CC..EExtended strand (participates in β ladder)trans-110.5127.7175.4-173.570.3000108.3V469 A470 L486 L488 F502 C510 F512 I519V469-L479 CarbonylContact C-O 3.5Å; V469-L479 VanDerWaalsContact CA-O 3.31Å; V469-L479 WeakPolarHBondContact CA-O 3.46Å; A470-L479 HydrophobicContact CB-CB 4.35Å; A470-L479 PolarHBondContact N-O 3.46Å; A470-L479 PolarHBondContact O-N 3.16Å; L479-L486 HydrophobicContact CD1-CD1 4.01Å; L479-L486 HydrophobicContact CD1-CD2 4.15Å; L479-L486 HydrophobicContact CD1-CG 3.79Å; L479-L486 HydrophobicContact CD2-CD1 4.25Å; L479-L486 HydrophobicContact CD2-CD2 4.29Å; L479-L486 HydrophobicContact CG-CD1 3.79Å; L479-L486 HydrophobicContact CG-CD2 4.42Å; L479-L486 HydrophobicContact CG-CG 4.11Å; L479-L488 HydrophobicContact CB-CD1 4.28Å; L479-L488 HydrophobicContact CD1-CB 4.11Å; L479-L488 HydrophobicContact CD1-CD1 4.03Å; L479-F502 HydrophobicContact CD1-CD2 4.15Å; L479-F502 HydrophobicContact CD1-CE2 3.83Å; L479-C510 HydrophobicContact CD2-CB 3.72Å; L479-F512 HydrophobicContact CB-CE2 3.68Å; L479-F512 HydrophobicContact CB-CZ 3.77Å; L479-I519 HydrophobicContact CD1-CD1 4.42Å; L479-I519 HydrophobicContact CD2-CD1 4.45Å; L479-I519 HydrophobicContact CD2-CG1 4.28Å; L479-I519 HydrophobicContact CD2-CG2 3.49Å; L479-I519 VanDerWaalsContact CD2-CG2 3.49Å
480I97.5Very high95.2Very high0 Ų018.8 Ų18.80%010%0.096CC..EExtended strand (participates in β ladder)trans-130.2122.5-175.2-57.9165.8000109.6V446 V466 V469 I478 F482 R487 M489 L496V446-I480 HydrophobicContact CG1-CD1 4.23Å; V446-I480 HydrophobicContact CG2-CD1 4.12Å; V446-I480 HydrophobicContact CG2-CG1 4.49Å; V446-I480 HydrophobicContact CG2-CG2 4.14Å; V466-I480 HydrophobicContact CB-CG2 4.49Å; V466-I480 HydrophobicContact CG1-CG2 3.51Å; V466-I480 HydrophobicContact CG2-CG2 4.18Å; V469-I480 HydrophobicContact CG2-CG1 4.21Å; I478-I480 HydrophobicContact CD1-CD1 3.94Å; I478-I480 HydrophobicContact CD1-CG1 3.93Å; I478-I480 HydrophobicContact CG1-CD1 4.33Å; I478-I480 HydrophobicContact CG1-CG1 3.96Å; I478-I480 HydrophobicContact CG2-CD1 4.34Å; I480-F482 HydrophobicContact CB-CD2 4.44Å; I480-F482 HydrophobicContact CB-CE2 3.71Å; I480-F482 HydrophobicContact CB-CZ 4.13Å; I480-F482 HydrophobicContact CG2-CD2 4.04Å; I480-F482 HydrophobicContact CG2-CE1 4.13Å; I480-F482 HydrophobicContact CG2-CE2 3.42Å; I480-F482 VanDerWaalsContact CG2-CE2 3.42Å; I480-F482 HydrophobicContact CG2-CZ 3.48Å; I480-F482 VanDerWaalsContact CG2-CZ 3.48Å; I480-F482 WeakPolarHBondContact O-CD2 3.34Å; I480-R487 PolarHBondContact N-O 3.37Å; I480-R487 PolarHBondContact O-N 3.42Å; I480-M489 HydrophobicContact CB-CE 4.44Å; I480-M489 HydrophobicContact CD1-CE 3.76Å; I480-M489 HydrophobicContact CD1-SD 3.94Å; I480-L496 HydrophobicContact CD1-CD1 3.97Å
481G96.2Very high95.1Very high0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-90.3110.4177.700000112.1V466 Y467 S468V466-G481 WeakPolarHBondContact CA-O 3.29Å; Y467-G481 PolarHBondContact N-O 3.23Å; S468-G481 PolarHBondContact O-N 2.8Å
482F95.7Very high94.9Very high0 Ų019.9 Ų19.90%010%0.101CC..EExtended strand (participates in β ladder)trans-95.2178.3176.3-65.1-87000112Y462 E464 E465 V466 I480 D484 K485 R487 M489 S506Y462-F482 AromaticContact CD1-CE1 3.66Å; Y462-F482 HydrophobicContact CD1-CE1 3.66Å; Y462-F482 AromaticContact CD1-CZ 3.73Å; Y462-F482 HydrophobicContact CD1-CZ 3.73Å; Y462-F482 AromaticContact CD2-CE1 3.8Å; Y462-F482 HydrophobicContact CD2-CE1 3.8Å; Y462-F482 HydrophobicContact CD2-CZ 4.04Å; Y462-F482 HydrophobicContact CE1-CE1 4.14Å; Y462-F482 AromaticContact CE1-CZ 3.71Å; Y462-F482 HydrophobicContact CE1-CZ 3.71Å; Y462-F482 HydrophobicContact CE2-CE1 4.26Å; Y462-F482 HydrophobicContact CE2-CZ 4.02Å; Y462-F482 AromaticContact CG-CE1 3.47Å; Y462-F482 HydrophobicContact CG-CE1 3.47Å; Y462-F482 VanDerWaalsContact CG-CE1 3.47Å; Y462-F482 AromaticContact CG-CZ 3.89Å; Y462-F482 HydrophobicContact CG-CZ 3.89Å; Y462-F482 AromaticContact CZ-CZ 3.85Å; E464-F482 HydrophobicContact CB-CD1 4Å; E465-F482 WeakPolarHBondContact O-CA 3.44Å; V466-F482 HydrophobicContact CG2-CD1 3.93Å; V466-F482 HydrophobicContact CG2-CE1 3.64Å; V466-F482 HydrophobicContact CG2-CZ 4.4Å; I480-F482 HydrophobicContact CB-CD2 4.44Å; I480-F482 HydrophobicContact CB-CE2 3.71Å; I480-F482 HydrophobicContact CB-CZ 4.13Å; I480-F482 HydrophobicContact CG2-CD2 4.04Å; I480-F482 HydrophobicContact CG2-CE1 4.13Å; I480-F482 HydrophobicContact CG2-CE2 3.42Å; I480-F482 VanDerWaalsContact CG2-CE2 3.42Å; I480-F482 HydrophobicContact CG2-CZ 3.48Å; I480-F482 VanDerWaalsContact CG2-CZ 3.48Å; I480-F482 WeakPolarHBondContact O-CD2 3.34Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 VanDerWaalsContact CB-OD1 3.27Å; F482-D484 WeakPolarHBondContact CB-OD1 3.41Å; F482-K485 WeakPolarHBondContact CA-O 3.43Å; F482-K485 WeakPolarHBondContact CB-O 3.21Å; F482-K485 PolarHBondContact N-O 3.12Å; F482-R487 HydrophobicContact CD2-CB 4.23Å; F482-R487 HydrophobicContact CD2-CG 3.79Å; F482-R487 VanDerWaalsContact CD2-NH1 3.34Å; F482-R487 HydrophobicContact CE2-CB 4Å; F482-R487 HydrophobicContact CE2-CG 3.94Å; F482-M489 HydrophobicContact CE2-CE 3.54Å; F482-M489 HydrophobicContact CZ-CE 3.71Å; F482-S506 VanDerWaalsContact O-CA 3.25Å; F482-S506 WeakPolarHBondContact O-CA 3.46Å; F482-S506 PolarHBondContact O-N 2.76Å
483S93.6Very high94.5Very high42 Ų4222.7 Ų22.729%0.29412%0.116SC..SBendtrans-63.4-35.617157.10000113.4E465 S506E465-S483 PolarHBondContact O-N 3.37Å; S483-S506 PolarHBondContact O-N 3.08Å; S483-S506 PolarHBondContact O-OG 3.34Å
484D92.8Very high94.1Very high40 Ų4026.3 Ų26.321%0.21414%0.135CC..SBendtrans-90.2-44.1-176.475-43.4000113.7F482 R487 R505F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 VanDerWaalsContact CB-OD1 3.27Å; F482-D484 WeakPolarHBondContact CB-OD1 3.41Å; D484-R487 IonicContact OD1-CZ 2.72Å; D484-R487 IonicContact OD1-NH1 2.73Å; D484-R487 IonicContact OD1-NH2 3.91Å; D484-R487 PolarHBondContact OD1-NH2 3.35Å; D484-R487 IonicContact OD2-CZ 3.23Å; D484-R487 IonicContact OD2-NH2 3.93Å; D484-R487 PolarHBondContact OD2-NH2 3.48Å; D484-R505 WeakPolarHBondContact O-CG 3.36Å
485K95.2Very high94.1Very high69 Ų6926 Ų2630%0.313%0.133SC..  trans-152.4169.2-168.3-67.8-178.2-157.8172.40111.8F482 R487 E501 I504F482-K485 WeakPolarHBondContact CA-O 3.43Å; F482-K485 WeakPolarHBondContact CB-O 3.21Å; F482-K485 PolarHBondContact N-O 3.12Å; K485-R487 HydrophobicContact CB-CG 4.44Å; K485-E501 HydrophobicContact CD-CB 4.09Å; K485-E501 HydrophobicContact CD-CG 4.47Å; K485-E501 WeakPolarHBondContact CD-OE2 3.5Å; K485-E501 IonicContact NZ-OE1 2.94Å; K485-E501 IonicContact NZ-OE2 3.72Å; K485-E501 PolarHBondContact NZ-OE2 3.46Å; K485-I504 CarbonylContact C-O 3.59Å; K485-I504 WeakPolarHBondContact CA-O 3.21Å
486L96.6Very high94.2Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-106.2115.3169.2175.972.7000107.9L479 F502 I504 C507 C510 A521L479-L486 HydrophobicContact CD1-CD1 4.01Å; L479-L486 HydrophobicContact CD1-CD2 4.15Å; L479-L486 HydrophobicContact CD1-CG 3.79Å; L479-L486 HydrophobicContact CD2-CD1 4.25Å; L479-L486 HydrophobicContact CD2-CD2 4.29Å; L479-L486 HydrophobicContact CG-CD1 3.79Å; L479-L486 HydrophobicContact CG-CD2 4.42Å; L479-L486 HydrophobicContact CG-CG 4.11Å; L486-F502 HydrophobicContact CB-CB 4.22Å; L486-F502 HydrophobicContact CB-CD2 4.49Å; L486-F502 HydrophobicContact CD2-CB 4.38Å; L486-F502 HydrophobicContact CD2-CD2 4Å; L486-F502 HydrophobicContact CD2-CG 4.49Å; L486-F502 HydrophobicContact CG-CD2 4.11Å; L486-F502 PolarHBondContact N-O 3.27Å; L486-F502 PolarHBondContact O-N 3.01Å; L486-I504 HydrophobicContact CB-CB 4.12Å; L486-I504 HydrophobicContact CD2-CD1 3.98Å; L486-I504 PolarHBondContact N-O 3.49Å; L486-C507 HydrophobicContact CB-CB 4.42Å; L486-C507 HydrophobicContact CD1-CB 4Å; L486-C510 HydrophobicContact CD1-CB 4.35Å; L486-A521 HydrophobicContact CD2-CB 3.53Å
487R96.7Very high94.1Very high23 Ų2329.8 Ų29.89%0.08715%0.146CC..EExtended strand (participates in β ladder)trans-108135.5-171.9-55.6-173.8-179121.70.1111E464 I480 F482 D484 K485 M489 I498 E501E464-R487 IonicContact OE1-NH2 2.68Å; E464-R487 PolarHBondContact OE1-NH2 2.89Å; E464-R487 IonicContact OE2-CZ 2.67Å; E464-R487 IonicContact OE2-NH1 3.62Å; E464-R487 PolarHBondContact OE2-NH1 3.04Å; E464-R487 IonicContact OE2-NH2 2.78Å; E464-R487 PolarHBondContact OE2-NH2 2.98Å; I480-R487 PolarHBondContact N-O 3.37Å; I480-R487 PolarHBondContact O-N 3.42Å; F482-R487 HydrophobicContact CD2-CB 4.23Å; F482-R487 HydrophobicContact CD2-CG 3.79Å; F482-R487 VanDerWaalsContact CD2-NH1 3.34Å; F482-R487 HydrophobicContact CE2-CB 4Å; F482-R487 HydrophobicContact CE2-CG 3.94Å; D484-R487 IonicContact OD1-CZ 2.72Å; D484-R487 IonicContact OD1-NH1 2.73Å; D484-R487 IonicContact OD1-NH2 3.91Å; D484-R487 PolarHBondContact OD1-NH2 3.35Å; D484-R487 IonicContact OD2-CZ 3.23Å; D484-R487 IonicContact OD2-NH2 3.93Å; D484-R487 PolarHBondContact OD2-NH2 3.48Å; K485-R487 HydrophobicContact CB-CG 4.44Å; R487-M489 HydrophobicContact CB-CE 3.86Å; R487-I498 HydrophobicContact CB-CG1 4.45Å; R487-I498 HydrophobicContact CB-CG2 4.49Å; R487-E501 WeakPolarHBondContact CD-OE1 3.36Å; R487-E501 HydrophobicContact CG-CG 4.12Å; R487-E501 IonicContact NE-OE1 3.82Å; R487-E501 PolarHBondContact NE-OE1 3.46Å
488L96.8Very high94.1Very high4 Ų430.8 Ų30.82%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-103.9125.8174.1-175.568.8000108.6L479 F499 H500 F502 F512 F535L479-L488 HydrophobicContact CB-CD1 4.28Å; L479-L488 HydrophobicContact CD1-CB 4.11Å; L479-L488 HydrophobicContact CD1-CD1 4.03Å; L488-F499 HydrophobicContact CD1-CZ 4.45Å; L488-F499 HydrophobicContact CD2-CE1 4.2Å; L488-F499 HydrophobicContact CD2-CE2 3.63Å; L488-F499 HydrophobicContact CD2-CZ 3.38Å; L488-F499 HydrophobicContact CG-CE1 3.78Å; L488-F499 HydrophobicContact CG-CE2 4.09Å; L488-F499 HydrophobicContact CG-CZ 3.48Å; L488-F499 VanDerWaalsContact CG-CZ 3.48Å; L488-F499 PolarHBondContact O-N 3.39Å; L488-H500 HydrophobicContact CB-CB 4.22Å; L488-H500 HydrophobicContact CD2-CB 4.4Å; L488-H500 PolarHBondContact N-O 2.93Å; L488-H500 PolarHBondContact O-N 2.97Å; L488-F502 HydrophobicContact CB-CE2 4.17Å; L488-F512 HydrophobicContact CD1-CE1 4.21Å; L488-F512 HydrophobicContact CD1-CZ 3.7Å; L488-F535 HydrophobicContact CD2-CD1 4.32Å; L488-F535 HydrophobicContact CD2-CE1 3.67Å
489M95.9Very high94Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-130152.5-170.8-45.1-163.8-168.700112.2Y462 F477 I478 I480 F482 R487 L496 R497 I498Y462-M489 HydrophobicContact CE1-CE 4.03Å; Y462-M489 WeakPolarHBondContact OH-CE 3.41Å; Y462-M489 PolarHBondContact OH-SD 3.35Å; Y462-M489 VanDerWaalsContact OH-SD 3.39Å; F477-M489 WeakPolarHBondContact CA-O 3.45Å; I478-M489 HydrophobicContact CG2-CB 3.8Å; I478-M489 PolarHBondContact N-O 2.9Å; I478-M489 PolarHBondContact O-N 3.22Å; I480-M489 HydrophobicContact CB-CE 4.44Å; I480-M489 HydrophobicContact CD1-CE 3.76Å; I480-M489 HydrophobicContact CD1-SD 3.94Å; F482-M489 HydrophobicContact CE2-CE 3.54Å; F482-M489 HydrophobicContact CZ-CE 3.71Å; R487-M489 HydrophobicContact CB-CE 3.86Å; M489-L496 HydrophobicContact CB-CB 4.48Å; M489-L496 HydrophobicContact SD-CB 3.87Å; M489-R497 CarbonylContact C-O 3.59Å; M489-R497 VanDerWaalsContact CA-O 3.24Å; M489-R497 WeakPolarHBondContact CA-O 3.49Å; M489-R497 WeakPolarHBondContact CB-O 3.21Å; M489-I498 HydrophobicContact CE-CD1 4.32Å; M489-I498 HydrophobicContact CE-CG1 3.69Å; M489-I498 HydrophobicContact CG-CB 4.42Å; M489-I498 HydrophobicContact CG-CG1 3.89Å; M489-I498 HydrophobicContact SD-CG1 3.75Å
490N94.6Very high93.9Very high41 Ų4137.3 Ų37.322%0.21918%0.183CC..EExtended strand (participates in β ladder)trans-81.5135.2166.9-64.4-40.7000109.3F477 L492 L496 R497 F499 L721F477-N490 VanDerWaalsContact CD1-OD1 3.25Å; F477-N490 WeakPolarHBondContact CD1-OD1 3.32Å; F477-N490 VanDerWaalsContact CE1-OD1 3.23Å; F477-N490 WeakPolarHBondContact CE1-OD1 3.12Å; N490-L492 HydrophobicContact CB-CD2 4.04Å; N490-L492 PolarHBondContact O-N 3.29Å; N490-L496 WeakPolarHBondContact O-CA 3.5Å; N490-R497 PolarHBondContact N-O 3.47Å; N490-R497 PolarHBondContact O-N 3.3Å; N490-R497 VanDerWaalsContact O-N 3.15Å; N490-F499 VanDerWaalsContact OD1-CD1 3.27Å; N490-F499 WeakPolarHBondContact OD1-CD1 3.41Å; N490-F499 VanDerWaalsContact OD1-CE1 3.23Å; N490-F499 WeakPolarHBondContact OD1-CE1 3.42Å; N490-L721 HydrophobicContact CB-CD1 4.26Å
491I94.9Very high93.8Very high15 Ų1540.6 Ų40.68%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-85.5103.6168-54169000106.7I448 L471 L476 I478 L496I448-I491 HydrophobicContact CD1-CD1 4.12Å; I448-I491 HydrophobicContact CD1-CG1 4.16Å; I448-I491 HydrophobicContact CD1-CG2 3.71Å; L471-I491 HydrophobicContact CD2-CD1 3.64Å; L476-I491 PolarHBondContact O-N 2.89Å; I478-I491 HydrophobicContact CB-CD1 4.13Å; I478-I491 HydrophobicContact CB-CG1 3.98Å; I478-I491 HydrophobicContact CG2-CG1 3.86Å; I491-L496 HydrophobicContact CB-CD2 4.21Å; I491-L496 HydrophobicContact CG1-CD2 4.01Å; I491-L496 HydrophobicContact CG2-CD2 4.21Å
492L92Very high93.8Very high13 Ų1340.9 Ų40.97%0.06820%0.199CC..BIsolated β-bridgetrans-94.1172.3172.6-49.1179.6000110.4N490 D494 D495 R497 L721 T723N490-L492 HydrophobicContact CB-CD2 4.04Å; N490-L492 PolarHBondContact O-N 3.29Å; L492-D494 PolarHBondContact O-N 3.36Å; L492-D495 WeakPolarHBondContact CA-O 3.41Å; L492-D495 VanDerWaalsContact CB-O 3.23Å; L492-D495 WeakPolarHBondContact CB-O 3.4Å; L492-D495 PolarHBondContact N-O 3.09Å; L492-R497 HydrophobicContact CD1-CB 4.24Å; L492-R497 HydrophobicContact CD1-CG 3.7Å; L492-L721 CarbonylContact C-O 3.54Å; L492-L721 WeakPolarHBondContact CA-O 3.25Å; L492-L721 HydrophobicContact CD2-CB 3.59Å; L492-T723 HydrophobicContact CD1-CG2 3.7Å; L492-T723 HydrophobicContact CD2-CG2 4.4Å
493I86.8Confident93.7Very high72 Ų7246.7 Ų46.737%0.36924%0.235SC..SBendtrans-54.5-45.1177.1-169.3168.7000113.9I720 L721 I722I493-I720 HydrophobicContact CB-CG2 3.74Å; I493-I720 HydrophobicContact CG1-CG2 4.29Å; I493-L721 PolarHBondContact N-O 2.99Å; I493-I722 HydrophobicContact CG2-CB 4.3Å; I493-I722 HydrophobicContact CG2-CD1 4.07Å; I493-I722 HydrophobicContact CG2-CG1 3.99Å
494D85.7Confident93.7Very high93 Ų9344.7 Ų44.750%0.49722%0.221SC..SBendtrans-117.3-4.1-173.1-62.6-24.2000113.4L458 L492 K730L458-D494 VanDerWaalsContact CD1-C 3.43Å; L458-D494 WeakPolarHBondContact CD1-O 3.36Å; L492-D494 PolarHBondContact O-N 3.36Å; D494-K730 IonicContact OD1-NZ 3.33Å; D494-K730 VanDerWaalsContact OD2-CE 3.23Å; D494-K730 WeakPolarHBondContact OD2-CE 3.45Å; D494-K730 IonicContact OD2-NZ 2.58Å; D494-K730 PolarHBondContact OD2-NZ 3.5Å
495D90.2Very high93.7Very high48 Ų4852 Ų5226%0.25725%0.245SC..  trans-158.4160.2-172-169.930000114.5K460 L492 R497K460-D495 WeakPolarHBondContact CD-OD1 3.45Å; K460-D495 WeakPolarHBondContact CE-OD1 3.34Å; K460-D495 IonicContact NZ-OD1 3.39Å; K460-D495 PolarHBondContact NZ-OD1 3.44Å; K460-D495 IonicContact NZ-OD2 2.79Å; K460-D495 PolarHBondContact NZ-OD2 3.31Å; L492-D495 WeakPolarHBondContact CA-O 3.41Å; L492-D495 VanDerWaalsContact CB-O 3.23Å; L492-D495 WeakPolarHBondContact CB-O 3.4Å; L492-D495 PolarHBondContact N-O 3.09Å; D495-R497 WeakPolarHBondContact OD2-CG 3.34Å; D495-R497 IonicContact OD2-NE 2.73Å
496L93.8Very high93.6Very high2 Ų251.1 Ų51.11%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-103113.3167-57.6179.7000110.8V446 I448 L458 K460 I478 I480 M489 N490 I491V446-L496 HydrophobicContact CG1-CD1 4.32Å; I448-L496 HydrophobicContact CD1-CD2 4.15Å; L458-L496 HydrophobicContact CD2-CD2 3.46Å; L458-L496 VanDerWaalsContact CD2-CD2 3.46Å; L458-L496 HydrophobicContact CD2-CG 3.72Å; K460-L496 HydrophobicContact CD-CB 4.05Å; K460-L496 HydrophobicContact CD-CG 4.5Å; K460-L496 PolarHBondContact NZ-O 2.93Å; I478-L496 HydrophobicContact CD1-CD1 4.31Å; I478-L496 HydrophobicContact CG2-CD1 4.42Å; I478-L496 HydrophobicContact CG2-CD2 4.06Å; I480-L496 HydrophobicContact CD1-CD1 3.97Å; M489-L496 HydrophobicContact CB-CB 4.48Å; M489-L496 HydrophobicContact SD-CB 3.87Å; N490-L496 WeakPolarHBondContact O-CA 3.5Å; I491-L496 HydrophobicContact CB-CD2 4.21Å; I491-L496 HydrophobicContact CG1-CD2 4.01Å; I491-L496 HydrophobicContact CG2-CD2 4.21Å
497R92.7Very high93.5Very high101 Ų10151.1 Ų51.138%0.38125%0.248SC..EExtended strand (participates in β ladder)trans-107.4123.4179.6-66.8-167.5-166.3162.214.5112.1M489 N490 L492 D495 T723 D726M489-R497 CarbonylContact C-O 3.59Å; M489-R497 VanDerWaalsContact CA-O 3.24Å; M489-R497 WeakPolarHBondContact CA-O 3.49Å; M489-R497 WeakPolarHBondContact CB-O 3.21Å; N490-R497 PolarHBondContact N-O 3.47Å; N490-R497 PolarHBondContact O-N 3.3Å; N490-R497 VanDerWaalsContact O-N 3.15Å; L492-R497 HydrophobicContact CD1-CB 4.24Å; L492-R497 HydrophobicContact CD1-CG 3.7Å; D495-R497 WeakPolarHBondContact OD2-CG 3.34Å; D495-R497 IonicContact OD2-NE 2.73Å; R497-T723 PolarHBondContact NH1-OG1 2.87Å; R497-D726 IonicContact CZ-OD2 2.65Å; R497-D726 IonicContact NH1-OD2 3.71Å; R497-D726 IonicContact NH2-OD1 3.49Å; R497-D726 PolarHBondContact NH2-OD1 2.85Å; R497-D726 IonicContact NH2-OD2 3.32Å; R497-D726 PolarHBondContact NH2-OD2 3.49Å
498I95Very high93.4Very high84 Ų8456 Ų5643%0.43127%0.266SS..EExtended strand (participates in β ladder)trans-62.9136.5175.9-57.7154.3000109.8R487 M489 E501R487-I498 HydrophobicContact CB-CG1 4.45Å; R487-I498 HydrophobicContact CB-CG2 4.49Å; M489-I498 HydrophobicContact CE-CD1 4.32Å; M489-I498 HydrophobicContact CE-CG1 3.69Å; M489-I498 HydrophobicContact CG-CB 4.42Å; M489-I498 HydrophobicContact CG-CG1 3.89Å; M489-I498 HydrophobicContact SD-CG1 3.75Å; I498-E501 HydrophobicContact CG2-CG 3.88Å
499F93.6Very high93.3Very high83 Ų8356.9 Ų56.936%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-129.2-14.4168.971.6-92.6000113.9F477 L488 N490 F535F477-F499 AromaticContact CD1-CE1 3.81Å; F477-F499 HydrophobicContact CD1-CE1 3.81Å; F477-F499 HydrophobicContact CD1-CZ 4.05Å; F477-F499 HydrophobicContact CE1-CE1 4.36Å; F477-F499 HydrophobicContact CE1-CZ 4.41Å; L488-F499 HydrophobicContact CD1-CZ 4.45Å; L488-F499 HydrophobicContact CD2-CE1 4.2Å; L488-F499 HydrophobicContact CD2-CE2 3.63Å; L488-F499 HydrophobicContact CD2-CZ 3.38Å; L488-F499 HydrophobicContact CG-CE1 3.78Å; L488-F499 HydrophobicContact CG-CE2 4.09Å; L488-F499 HydrophobicContact CG-CZ 3.48Å; L488-F499 VanDerWaalsContact CG-CZ 3.48Å; L488-F499 PolarHBondContact O-N 3.39Å; N490-F499 VanDerWaalsContact OD1-CD1 3.27Å; N490-F499 WeakPolarHBondContact OD1-CD1 3.41Å; N490-F499 VanDerWaalsContact OD1-CE1 3.23Å; N490-F499 WeakPolarHBondContact OD1-CE1 3.42Å; F499-F535 HydrophobicContact CE2-CE1 4.22Å; F499-F535 AromaticContact CE2-CZ 3.93Å; F499-F535 HydrophobicContact CE2-CZ 3.93Å
500H95.6Very high93.3Very high53 Ų5357.2 Ų57.225%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-148.1152.3171.7-167.782.3000111.6L488 F502 F535L488-H500 HydrophobicContact CB-CB 4.22Å; L488-H500 HydrophobicContact CD2-CB 4.4Å; L488-H500 PolarHBondContact N-O 2.93Å; L488-H500 PolarHBondContact O-N 2.97Å; H500-F502 AromaticContact CD2-CD1 3.87Å; H500-F502 AromaticContact CD2-CE1 3.57Å; H500-F502 AromaticContact CD2-CE2 3.98Å; H500-F502 AromaticContact CD2-CZ 3.64Å; H500-F502 AromaticContact NE2-CD1 3.76Å; H500-F502 AromaticContact NE2-CE1 3.62Å; H500-F535 HydrophobicContact CB-CD1 4.46Å; H500-F535 HydrophobicContact CB-CE1 4.37Å; H500-F535 AromaticContact CD2-CD1 3.94Å; H500-F535 AromaticContact CD2-CG 3.94Å; H500-F535 VanDerWaalsContact CE1-CB 3.48Å; H500-F535 WeakPolarHBondContact CE1-CB 3.36Å; H500-F535 AromaticContact CE1-CD2 3.86Å; H500-F535 AromaticContact CE1-CG 3.64Å; H500-F535 AromaticContact CG-CD1 3.95Å; H500-F535 AromaticContact CG-CG 3.89Å; H500-F535 AromaticContact ND1-CD2 3.67Å; H500-F535 AromaticContact ND1-CG 3.7Å; H500-F535 WeakPolarHBondContact NE2-CB 3.31Å; H500-F535 AromaticContact NE2-CG 3.81Å
501E95.9Very high93.4Very high70 Ų7055.9 Ų55.933%0.32727%0.268SS..EExtended strand (participates in β ladder)trans-135.5125.7178.3-58.9-167.7121.800111.7K485 R487 I498K485-E501 HydrophobicContact CD-CB 4.09Å; K485-E501 HydrophobicContact CD-CG 4.47Å; K485-E501 WeakPolarHBondContact CD-OE2 3.5Å; K485-E501 IonicContact NZ-OE1 2.94Å; K485-E501 IonicContact NZ-OE2 3.72Å; K485-E501 PolarHBondContact NZ-OE2 3.46Å; R487-E501 WeakPolarHBondContact CD-OE1 3.36Å; R487-E501 HydrophobicContact CG-CG 4.12Å; R487-E501 IonicContact NE-OE1 3.82Å; R487-E501 PolarHBondContact NE-OE1 3.46Å; I498-E501 HydrophobicContact CG2-CG 3.88Å
502F95.5Very high93.5Very high6 Ų656 Ų563%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-96.2140.9172.3-49.5-82.6000110.6L479 L486 L488 H500 I504 I519 Y530 F535L479-F502 HydrophobicContact CD1-CD2 4.15Å; L479-F502 HydrophobicContact CD1-CE2 3.83Å; L486-F502 HydrophobicContact CB-CB 4.22Å; L486-F502 HydrophobicContact CB-CD2 4.49Å; L486-F502 HydrophobicContact CD2-CB 4.38Å; L486-F502 HydrophobicContact CD2-CD2 4Å; L486-F502 HydrophobicContact CD2-CG 4.49Å; L486-F502 HydrophobicContact CG-CD2 4.11Å; L486-F502 PolarHBondContact N-O 3.27Å; L486-F502 PolarHBondContact O-N 3.01Å; L488-F502 HydrophobicContact CB-CE2 4.17Å; H500-F502 AromaticContact CD2-CD1 3.87Å; H500-F502 AromaticContact CD2-CE1 3.57Å; H500-F502 AromaticContact CD2-CE2 3.98Å; H500-F502 AromaticContact CD2-CZ 3.64Å; H500-F502 AromaticContact NE2-CD1 3.76Å; H500-F502 AromaticContact NE2-CE1 3.62Å; F502-I504 PolarHBondContact O-N 3.23Å; F502-I519 HydrophobicContact CE2-CD1 3.95Å; F502-I519 HydrophobicContact CZ-CD1 3.78Å; F502-Y530 AromaticContact CD1-CD1 3.69Å; F502-Y530 HydrophobicContact CD1-CD1 3.69Å; F502-Y530 HydrophobicContact CD1-CD2 4.45Å; F502-Y530 AromaticContact CD1-CE1 3.73Å; F502-Y530 HydrophobicContact CD1-CE1 3.73Å; F502-Y530 HydrophobicContact CD1-CE2 4.49Å; F502-Y530 HydrophobicContact CD1-CG 4.07Å; F502-Y530 AromaticContact CE1-CD1 3.62Å; F502-Y530 HydrophobicContact CE1-CD1 3.62Å; F502-Y530 HydrophobicContact CE1-CE1 4.16Å; F502-Y530 AromaticContact CE1-CG 3.84Å; F502-Y530 HydrophobicContact CE1-CG 3.84Å; F502-F535 HydrophobicContact CE1-CB 4.11Å; F502-F535 HydrophobicContact CE1-CD1 4.38Å; F502-F535 HydrophobicContact CZ-CD1 4.1Å
503T94Very high93.6Very high121 Ų12155.4 Ų55.474%0.74227%0.265SS*.  trans-79.544.3-176.461.60000113.6
504I94Very high93.8Very high0 Ų054.9 Ų54.90%026%0.262CS..  trans-104.8115.5177.7-59.8172.3000108.7K485 L486 F502 C507 A521 N523 Y530K485-I504 CarbonylContact C-O 3.59Å; K485-I504 WeakPolarHBondContact CA-O 3.21Å; L486-I504 HydrophobicContact CB-CB 4.12Å; L486-I504 HydrophobicContact CD2-CD1 3.98Å; L486-I504 PolarHBondContact N-O 3.49Å; F502-I504 PolarHBondContact O-N 3.23Å; I504-C507 HydrophobicContact CG2-CB 3.82Å; I504-A521 HydrophobicContact CD1-CB 3.59Å; I504-N523 HydrophobicContact CG1-CB 4.41Å; I504-N523 HydrophobicContact CG2-CB 3.91Å; I504-Y530 HydrophobicContact CD1-CE2 3.9Å
505R93.1Very high94Very high193 Ų19353 Ų5373%0.72827%0.266SS*.THydrogen-bonded Turntrans-85.4141.6180-48.6-148.1172.9140.7-1111.2D484 C507D484-R505 WeakPolarHBondContact O-CG 3.36Å; R505-C507 PolarHBondContact O-N 2.91Å
506S92.3Very high94.2Very high51 Ų5150.9 Ų50.936%0.35725%0.254SS..THydrogen-bonded Turntrans50.143.3174-44.30000113.1F482 S483 R508F482-S506 VanDerWaalsContact O-CA 3.25Å; F482-S506 WeakPolarHBondContact O-CA 3.46Å; F482-S506 PolarHBondContact O-N 2.76Å; S483-S506 PolarHBondContact O-N 3.08Å; S483-S506 PolarHBondContact O-OG 3.34Å; S506-R508 WeakPolarHBondContact O-CG 3.34Å; S506-R508 PolarHBondContact O-N 2.86Å
507C95.2Very high94.2Very high1 Ų155.3 Ų55.31%0.00728%0.275CS..  trans-61.6110.2-176.8-168.30000109.7Y467 S468 L486 I504 R505 E509 V522Y467-C507 WeakPolarHBondContact CB-O 3.42Å; S468-C507 WeakPolarHBondContact CB-O 3.33Å; S468-C507 PolarHBondContact OG-O 3.44Å; L486-C507 HydrophobicContact CB-CB 4.42Å; L486-C507 HydrophobicContact CD1-CB 4Å; I504-C507 HydrophobicContact CG2-CB 3.82Å; R505-C507 PolarHBondContact O-N 2.91Å; C507-E509 PolarHBondContact SG-O 3.49Å; C507-E509 VanDerWaalsContact SG-O 3.41Å; C507-V522 PolarHBondContact SG-O 2.86Å
508R93.3Very high94.3Very high124 Ų12451.3 Ų51.347%0.46826%0.261SS..  trans-85.7-19.2-172.6-68.1-172.2173.2-140.6-11.8114.4S506S506-R508 WeakPolarHBondContact O-CG 3.34Å; S506-R508 PolarHBondContact O-N 2.86Å
509E95.2Very high94.4Very high24 Ų2447.3 Ų47.311%0.11224%0.241CC..  trans-151.8131.4176.9-167.676.7157.700108.6C507 V522 I551 K676C507-E509 PolarHBondContact SG-O 3.49Å; C507-E509 VanDerWaalsContact SG-O 3.41Å; E509-V522 HydrophobicContact CB-CB 4.38Å; E509-V522 HydrophobicContact CB-CG2 3.92Å; E509-V522 WeakPolarHBondContact O-CB 3.36Å; E509-V522 PolarHBondContact O-N 2.69Å; E509-I551 HydrophobicContact CG-CD1 4.42Å; E509-I551 HydrophobicContact CG-CG1 3.87Å; E509-K676 IonicContact OE1-NZ 3.54Å; E509-K676 PolarHBondContact OE1-NZ 3.35Å; E509-K676 IonicContact OE2-NZ 2.78Å; E509-K676 PolarHBondContact OE2-NZ 3.29Å
510C96.2Very high94.6Very high7 Ų743.4 Ų43.45%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-142.8150.5171.161.80000109.5S468 L479 L486 G520S468-C510 PolarHBondContact OG-SG 3.22Å; L479-C510 HydrophobicContact CD2-CB 3.72Å; L486-C510 HydrophobicContact CD1-CB 4.35Å; C510-G520 CarbonylContact C-O 3.58Å; C510-G520 WeakPolarHBondContact CA-O 3.44Å
511A96.8Very high94.7Very high13 Ų1340.9 Ų40.911%0.10721%0.212CC..EExtended strand (participates in β ladder)trans-152.8139.7178.800000111G520 I551 W553A511-G520 PolarHBondContact N-O 2.74Å; A511-G520 PolarHBondContact O-N 3.01Å; A511-I551 HydrophobicContact CB-CD1 4.18Å; A511-I551 HydrophobicContact CB-CG1 4.15Å; A511-W553 PolarHBondContact O-NE1 2.99Å
512F96.8Very high94.7Very high17 Ų1737.8 Ų37.88%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-77149.1165.2-68-84.8000110.6A470 L471 H472 L479 L488 L518 I519 T532 W553A470-F512 HydrophobicContact CB-CD2 3.85Å; A470-F512 HydrophobicContact CB-CE2 4.06Å; L471-F512 VanDerWaalsContact O-CD2 3.28Å; L471-F512 WeakPolarHBondContact O-CD2 3.44Å; H472-F512 HydrophobicContact CB-CD2 4.35Å; H472-F512 HydrophobicContact CB-CE1 4.3Å; H472-F512 HydrophobicContact CB-CE2 4.12Å; H472-F512 HydrophobicContact CB-CZ 4.09Å; H472-F512 AromaticContact CD2-CD1 3.7Å; H472-F512 AromaticContact CD2-CE1 3.77Å; L479-F512 HydrophobicContact CB-CE2 3.68Å; L479-F512 HydrophobicContact CB-CZ 3.77Å; L488-F512 HydrophobicContact CD1-CE1 4.21Å; L488-F512 HydrophobicContact CD1-CZ 3.7Å; F512-L518 WeakPolarHBondContact CA-O 3.39Å; F512-I519 HydrophobicContact CD1-CD1 4.45Å; F512-I519 HydrophobicContact CD1-CG1 3.6Å; F512-I519 HydrophobicContact CE1-CD1 3.84Å; F512-I519 HydrophobicContact CE1-CG1 3.47Å; F512-I519 VanDerWaalsContact CE1-CG1 3.47Å; F512-I519 HydrophobicContact CZ-CG1 4.32Å; F512-T532 HydrophobicContact CD1-CG2 3.78Å; F512-T532 HydrophobicContact CE1-CG2 3.7Å; F512-W553 PolarHBondContact O-NE1 3.13Å
513S94.9Very high94.6Very high1 Ų140.4 Ų40.41%0.00721%0.212CC..  trans-58.9154.8160.756.80000111.3G515 G516 H517 L518 D557S513-G515 VanDerWaalsContact C-N 3.31Å; S513-G515 PolarHBondContact O-N 2.99Å; S513-G516 WeakPolarHBondContact O-CA 3.28Å; S513-G516 PolarHBondContact O-N 2.86Å; S513-G516 PolarHBondContact OG-N 3.34Å; S513-H517 PolarHBondContact OG-N 2.72Å; S513-L518 PolarHBondContact N-O 3.2Å; S513-L518 PolarHBondContact OG-N 2.89Å; S513-L518 PolarHBondContact OG-O 3.34Å; S513-D557 WeakPolarHBondContact CA-OD1 3.29Å; S513-D557 WeakPolarHBondContact CB-OD1 3.39Å
514N90.6Very high94.5Very high60 Ų6037 Ų3732%0.32120%0.201SC..THydrogen-bonded Turntrans-61.9-36179.5-71.6-61000112.9P473 G516 S554 D557P473-N514 WeakPolarHBondContact CG-O 3.15Å; N514-G516 PolarHBondContact O-N 3.35Å; N514-S554 PolarHBondContact ND2-O 3.18Å; N514-D557 WeakPolarHBondContact CB-OD1 3.42Å; N514-D557 PolarHBondContact N-OD1 2.92Å; N514-D557 PolarHBondContact N-OD2 2.99Å
515G89.6Confident94.5Very high55 Ų5540.5 Ų40.557%0.56722%0.22SC*.THydrogen-bonded Turntrans-77.3-2.7170.800000114.8S513 H517 D557S513-G515 VanDerWaalsContact C-N 3.31Å; S513-G515 PolarHBondContact O-N 2.99Å; G515-H517 PolarHBondContact O-N 2.97Å; G515-D557 PolarHBondContact N-OD2 3.16Å
516G93.3Very high94.6Very high2 Ų232.5 Ų32.52%0.02119%0.192CC..SBendtrans69.93.217900000116.2H472 S513 N514 T532H472-G516 VanDerWaalsContact NE2-CA 3.34Å; H472-G516 WeakPolarHBondContact NE2-CA 3.47Å; H472-G516 PolarHBondContact NE2-O 3.48Å; S513-G516 WeakPolarHBondContact O-CA 3.28Å; S513-G516 PolarHBondContact O-N 2.86Å; S513-G516 PolarHBondContact OG-N 3.34Å; N514-G516 PolarHBondContact O-N 3.35Å; G516-T532 WeakPolarHBondContact O-CB 3.39Å; G516-T532 WeakPolarHBondContact O-CG2 3.45Å; G516-T532 PolarHBondContact O-OG1 2.7Å
517H94.4Very high94.8Very high95 Ų9530.1 Ų30.144%0.4418%0.175SC..SBendtrans-86.2-14.4-173.565.6-74.4000114.2S513 G515 T532 D557S513-H517 PolarHBondContact OG-N 2.72Å; G515-H517 PolarHBondContact O-N 2.97Å; H517-T532 VanDerWaalsContact C-OG1 3.28Å; H517-T532 VanDerWaalsContact CA-OG1 3.27Å; H517-T532 WeakPolarHBondContact CA-OG1 3.43Å; H517-T532 PolarHBondContact O-N 2.85Å; H517-T532 VanDerWaalsContact O-N 3.12Å; H517-T532 PolarHBondContact O-OG1 3.25Å; H517-D557 IonicContact CE1-OD2 3.02Å; H517-D557 PolarHBondContact CE1-OD2 2.86Å; H517-D557 VanDerWaalsContact CE1-OD2 3.23Å; H517-D557 IonicContact ND1-OD2 3.44Å
518L96.1Very high94.9Very high18 Ų1831.2 Ų31.29%0.09418%0.18CC..EExtended strand (participates in β ladder)trans-127.4151.1177.8-54.6171.3000112F512 S513 I529 Y530 L538 W553F512-L518 WeakPolarHBondContact CA-O 3.39Å; S513-L518 PolarHBondContact N-O 3.2Å; S513-L518 PolarHBondContact OG-N 2.89Å; S513-L518 PolarHBondContact OG-O 3.34Å; L518-I529 HydrophobicContact CB-CG2 4.23Å; L518-I529 HydrophobicContact CD1-CG2 4.37Å; L518-I529 HydrophobicContact CD2-CG2 4.07Å; L518-I529 HydrophobicContact CG-CG2 4.46Å; L518-Y530 CarbonylContact C-O 3.49Å; L518-Y530 VanDerWaalsContact CA-O 3.3Å; L518-Y530 WeakPolarHBondContact CA-O 3.29Å; L518-L538 HydrophobicContact CD2-CD1 3.55Å; L518-W553 HydrophobicContact CB-CH2 3.67Å; L518-W553 HydrophobicContact CB-CZ2 4.07Å; L518-W553 HydrophobicContact CB-CZ3 4.34Å; L518-W553 HydrophobicContact CD1-CH2 3.69Å; L518-W553 HydrophobicContact CD1-CZ3 3.68Å; L518-W553 HydrophobicContact CG-CH2 4.33Å
519I97.1Very high95Very high0 Ų025.4 Ų25.40%016%0.158CC..EExtended strand (participates in β ladder)trans-115.6127.2167.1-71.2158.6000108.1L479 F502 F512 A521 I529 Y530 T532L479-I519 HydrophobicContact CD1-CD1 4.42Å; L479-I519 HydrophobicContact CD2-CD1 4.45Å; L479-I519 HydrophobicContact CD2-CG1 4.28Å; L479-I519 HydrophobicContact CD2-CG2 3.49Å; L479-I519 VanDerWaalsContact CD2-CG2 3.49Å; F502-I519 HydrophobicContact CE2-CD1 3.95Å; F502-I519 HydrophobicContact CZ-CD1 3.78Å; F512-I519 HydrophobicContact CD1-CD1 4.45Å; F512-I519 HydrophobicContact CD1-CG1 3.6Å; F512-I519 HydrophobicContact CE1-CD1 3.84Å; F512-I519 HydrophobicContact CE1-CG1 3.47Å; F512-I519 VanDerWaalsContact CE1-CG1 3.47Å; F512-I519 HydrophobicContact CZ-CG1 4.32Å; I519-A521 HydrophobicContact CG2-CB 4.28Å; I519-I529 CarbonylContact O-C 3.59Å; I519-I529 VanDerWaalsContact O-CA 3.28Å; I519-I529 WeakPolarHBondContact O-CA 3.25Å; I519-Y530 PolarHBondContact N-O 3.45Å; I519-Y530 PolarHBondContact O-N 3.08Å; I519-T532 HydrophobicContact CD1-CG2 3.75Å; I519-T532 HydrophobicContact CG1-CG2 3.62Å
520G96.4Very high95.1Very high0 Ų025.1 Ų25.10%016%0.157CC..EExtended strand (participates in β ladder)trans-98.3123.7164.400000109.3C510 A511 I551C510-G520 CarbonylContact C-O 3.58Å; C510-G520 WeakPolarHBondContact CA-O 3.44Å; A511-G520 PolarHBondContact N-O 2.74Å; A511-G520 PolarHBondContact O-N 3.01Å; G520-I551 WeakPolarHBondContact O-CD1 3.22Å
521A97.2Very high95Very high0 Ų025.4 Ų25.40%016%0.158CC..EExtended strand (participates in β ladder)trans-130.8129.5-179.100000111.7L486 I504 I519 Q528L486-A521 HydrophobicContact CD2-CB 3.53Å; I504-A521 HydrophobicContact CD1-CB 3.59Å; I519-A521 HydrophobicContact CG2-CB 4.28Å; A521-Q528 PolarHBondContact N-O 2.8Å; A521-Q528 PolarHBondContact O-N 2.95Å
522V96.5Very high94.8Very high5 Ų525.9 Ų25.93%0.0316%0.16CC..EExtended strand (participates in β ladder)trans-84.2119.1179.4174.20000110.8C507 E509 I527 I548 I551C507-V522 PolarHBondContact SG-O 2.86Å; E509-V522 HydrophobicContact CB-CB 4.38Å; E509-V522 HydrophobicContact CB-CG2 3.92Å; E509-V522 WeakPolarHBondContact O-CB 3.36Å; E509-V522 PolarHBondContact O-N 2.69Å; V522-I527 HydrophobicContact CG2-CG1 4.44Å; V522-I548 HydrophobicContact CG1-CB 3.89Å; V522-I548 HydrophobicContact CG1-CD1 4.04Å; V522-I548 HydrophobicContact CG1-CG2 4.45Å; V522-I548 HydrophobicContact CG2-CB 4.12Å; V522-I548 HydrophobicContact CG2-CD1 4.41Å; V522-I548 HydrophobicContact CG2-CG2 3.76Å; V522-I551 HydrophobicContact CG2-CD1 4.47Å; V522-I551 HydrophobicContact CG2-CG2 3.91Å
523N94.8Very high94.6Very high62 Ų6230.3 Ų30.333%0.33219%0.189SC..EExtended strand (participates in β ladder)trans-114.190.2172.5-168.9-8.2000109I504 N525 V526 Q528I504-N523 HydrophobicContact CG1-CB 4.41Å; I504-N523 HydrophobicContact CG2-CB 3.91Å; N523-N525 PolarHBondContact O-N 3.28Å; N523-N525 VanDerWaalsContact O-N 3.07Å; N523-V526 PolarHBondContact N-O 2.81Å; N523-V526 PolarHBondContact O-N 2.87Å; N523-V526 VanDerWaalsContact O-N 3.08Å; N523-Q528 HydrophobicContact CB-CG 4.16Å; N523-Q528 PolarHBondContact ND2-OE1 2.91Å
524G91.4Very high94.5Very high49 Ų4933.9 Ų33.951%0.50521%0.21SC..THydrogen-bonded Turntrans68.2-101.1-176.300000113.2
525N94Very high94.7Very high74 Ų7433.7 Ų33.740%0.39621%0.207SC..THydrogen-bonded Turntrans-11510.6177.370.2-41.5000113N523 H544 G546N523-N525 PolarHBondContact O-N 3.28Å; N523-N525 VanDerWaalsContact O-N 3.07Å; N525-H544 HydrophobicContact CB-CB 4.47Å; N525-H544 WeakPolarHBondContact CB-O 3.45Å; N525-H544 PolarHBondContact ND2-O 3.5Å; N525-G546 VanDerWaalsContact CB-O 3.28Å; N525-G546 WeakPolarHBondContact CB-O 3.3Å
526V95.5Very high94.9Very high24 Ų2435.7 Ų35.715%0.14521%0.205CC..EExtended strand (participates in β ladder)trans-116.6138.5178.5-178.20000108.9N523 Q528 N540 L541 K542N523-V526 PolarHBondContact N-O 2.81Å; N523-V526 PolarHBondContact O-N 2.87Å; N523-V526 VanDerWaalsContact O-N 3.08Å; V526-Q528 HydrophobicContact CG1-CG 4.33Å; V526-N540 HydrophobicContact CG1-CB 4.16Å; V526-L541 WeakPolarHBondContact CG1-O 3.33Å; V526-K542 HydrophobicContact CG1-CG 3.86Å; V526-K542 HydrophobicContact CG2-CG 3.98Å
527I96.6Very high94.9Very high1 Ų138.2 Ų38.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-99.6126.5170.3-47.4167.2000107.3V522 N540 L541 I548 I551 L560 S562V522-I527 HydrophobicContact CG2-CG1 4.44Å; I527-N540 CarbonylContact O-C 3.57Å; I527-L541 HydrophobicContact CB-CB 4.1Å; I527-L541 HydrophobicContact CB-CD1 4.14Å; I527-L541 HydrophobicContact CB-CG 4.49Å; I527-L541 HydrophobicContact CD1-CD1 4.4Å; I527-L541 HydrophobicContact CG2-CD1 4.37Å; I527-L541 PolarHBondContact N-O 3.42Å; I527-L541 VanDerWaalsContact N-O 3.1Å; I527-L541 PolarHBondContact O-N 3.28Å; I527-I548 HydrophobicContact CD1-CD1 4.29Å; I527-I548 HydrophobicContact CG1-CD1 3.6Å; I527-I551 HydrophobicContact CD1-CG2 3.83Å; I527-I551 HydrophobicContact CG1-CG2 4.32Å; I527-L560 HydrophobicContact CD1-CD2 3.75Å; I527-L560 HydrophobicContact CG2-CD1 4.4Å; I527-S562 VanDerWaalsContact CD1-CB 3.43Å
528Q96.1Very high94.9Very high25 Ų2538 Ų3812%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-106.6126.2178.6-53.7-164.2-76.200108.2A521 N523 V526 Y530 N537 N540A521-Q528 PolarHBondContact N-O 2.8Å; A521-Q528 PolarHBondContact O-N 2.95Å; N523-Q528 HydrophobicContact CB-CG 4.16Å; N523-Q528 PolarHBondContact ND2-OE1 2.91Å; V526-Q528 HydrophobicContact CG1-CG 4.33Å; Q528-Y530 HydrophobicContact CB-CD2 4.24Å; Q528-Y530 HydrophobicContact CB-CE2 3.52Å; Q528-N537 PolarHBondContact NE2-ND2 3.42Å; Q528-N537 VanDerWaalsContact NE2-ND2 3.12Å; Q528-N540 WeakPolarHBondContact CG-OD1 3.46Å; Q528-N540 PolarHBondContact NE2-OD1 3.28Å
529I96.7Very high94.8Very high1 Ų138.4 Ų38.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-100.2124.2176-59.3178.6000108.5L518 I519 L538 I539 L541 W553 T574L518-I529 HydrophobicContact CB-CG2 4.23Å; L518-I529 HydrophobicContact CD1-CG2 4.37Å; L518-I529 HydrophobicContact CD2-CG2 4.07Å; L518-I529 HydrophobicContact CG-CG2 4.46Å; I519-I529 CarbonylContact O-C 3.59Å; I519-I529 VanDerWaalsContact O-CA 3.28Å; I519-I529 WeakPolarHBondContact O-CA 3.25Å; I529-L538 HydrophobicContact CG2-CD1 4.49Å; I529-L538 PolarHBondContact O-N 2.85Å; I529-I539 HydrophobicContact CB-CB 4.24Å; I529-I539 HydrophobicContact CD1-CB 4.39Å; I529-I539 HydrophobicContact CD1-CG2 4.44Å; I529-I539 PolarHBondContact N-O 3.28Å; I529-I539 PolarHBondContact O-N 3.48Å; I529-L541 HydrophobicContact CD1-CD1 3.97Å; I529-L541 HydrophobicContact CD1-CG 4.32Å; I529-L541 HydrophobicContact CG1-CD1 4.42Å; I529-W553 HydrophobicContact CD1-CH2 4.18Å; I529-W553 HydrophobicContact CG1-CH2 4.38Å; I529-W553 HydrophobicContact CG2-CH2 4.13Å; I529-T574 HydrophobicContact CD1-CG2 4.27Å
530Y95.8Very high94.7Very high19 Ų1941.5 Ų41.58%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-114.9150176.5-67.6-95.7000111.5F502 I504 L518 I519 Q528 F535 D536 N537F502-Y530 AromaticContact CD1-CD1 3.69Å; F502-Y530 HydrophobicContact CD1-CD1 3.69Å; F502-Y530 HydrophobicContact CD1-CD2 4.45Å; F502-Y530 AromaticContact CD1-CE1 3.73Å; F502-Y530 HydrophobicContact CD1-CE1 3.73Å; F502-Y530 HydrophobicContact CD1-CE2 4.49Å; F502-Y530 HydrophobicContact CD1-CG 4.07Å; F502-Y530 AromaticContact CE1-CD1 3.62Å; F502-Y530 HydrophobicContact CE1-CD1 3.62Å; F502-Y530 HydrophobicContact CE1-CE1 4.16Å; F502-Y530 AromaticContact CE1-CG 3.84Å; F502-Y530 HydrophobicContact CE1-CG 3.84Å; I504-Y530 HydrophobicContact CD1-CE2 3.9Å; L518-Y530 CarbonylContact C-O 3.49Å; L518-Y530 VanDerWaalsContact CA-O 3.3Å; L518-Y530 WeakPolarHBondContact CA-O 3.29Å; I519-Y530 PolarHBondContact N-O 3.45Å; I519-Y530 PolarHBondContact O-N 3.08Å; Q528-Y530 HydrophobicContact CB-CD2 4.24Å; Q528-Y530 HydrophobicContact CB-CE2 3.52Å; Y530-F535 WeakPolarHBondContact CD1-O 3.3Å; Y530-D536 VanDerWaalsContact CA-O 3.26Å; Y530-D536 WeakPolarHBondContact CA-O 3.28Å; Y530-D536 WeakPolarHBondContact CD1-O 3.46Å; Y530-N537 HydrophobicContact CD1-CB 4.14Å; Y530-N537 HydrophobicContact CE1-CB 3.64Å; Y530-N537 PolarHBondContact OH-ND2 2.92Å
531S95.1Very high94.6Very high12 Ų1241.6 Ų41.68%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-73.6137.4163.5175.30000110.5T533 T534 F535 D536S531-T533 VanDerWaalsContact C-N 3.27Å; S531-T533 PolarHBondContact O-N 3.22Å; S531-T533 PolarHBondContact OG-N 3.28Å; S531-T533 VanDerWaalsContact OG-N 3.12Å; S531-T533 PolarHBondContact OG-OG1 3.48Å; S531-T533 VanDerWaalsContact OG-OG1 3.06Å; S531-T534 WeakPolarHBondContact CB-OG1 3.11Å; S531-T534 PolarHBondContact OG-N 3.42Å; S531-T534 VanDerWaalsContact OG-N 3.15Å; S531-F535 VanDerWaalsContact O-CA 3.26Å; S531-F535 WeakPolarHBondContact O-CA 3.34Å; S531-F535 PolarHBondContact O-N 3.25Å; S531-F535 VanDerWaalsContact O-N 3.11Å; S531-D536 PolarHBondContact N-O 3.34Å
532T93.2Very high94.4Very high23 Ų2348.3 Ų48.314%0.14127%0.268CS..THydrogen-bonded Turntrans-75.5-12.9170.348.90000114.1F512 G516 H517 I519 F535F512-T532 HydrophobicContact CD1-CG2 3.78Å; F512-T532 HydrophobicContact CE1-CG2 3.7Å; G516-T532 WeakPolarHBondContact O-CB 3.39Å; G516-T532 WeakPolarHBondContact O-CG2 3.45Å; G516-T532 PolarHBondContact O-OG1 2.7Å; H517-T532 VanDerWaalsContact C-OG1 3.28Å; H517-T532 VanDerWaalsContact CA-OG1 3.27Å; H517-T532 WeakPolarHBondContact CA-OG1 3.43Å; H517-T532 PolarHBondContact O-N 2.85Å; H517-T532 VanDerWaalsContact O-N 3.12Å; H517-T532 PolarHBondContact O-OG1 3.25Å; I519-T532 HydrophobicContact CD1-CG2 3.75Å; I519-T532 HydrophobicContact CG1-CG2 3.62Å; T532-F535 WeakPolarHBondContact O-CE1 3.43Å
533T92Very high94.1Very high111 Ų11149 Ų4968%0.68128%0.275SS*.THydrogen-bonded Turntrans-104.7-35.8-177.157.40000113.3S531S531-T533 VanDerWaalsContact C-N 3.27Å; S531-T533 PolarHBondContact O-N 3.22Å; S531-T533 PolarHBondContact OG-N 3.28Å; S531-T533 VanDerWaalsContact OG-N 3.12Å; S531-T533 PolarHBondContact OG-OG1 3.48Å; S531-T533 VanDerWaalsContact OG-OG1 3.06Å
534T93.5Very high94Very high75 Ų7546.1 Ų46.146%0.4626%0.26SS..THydrogen-bonded Turntrans-103.6-19.7177.476.30000114S531 D536S531-T534 WeakPolarHBondContact CB-OG1 3.11Å; S531-T534 PolarHBondContact OG-N 3.42Å; S531-T534 VanDerWaalsContact OG-N 3.15Å; T534-D536 VanDerWaalsContact CB-OD2 3.22Å; T534-D536 WeakPolarHBondContact CB-OD2 3.41Å; T534-D536 PolarHBondContact O-N 3.4Å; T534-D536 PolarHBondContact OG1-N 3.15Å; T534-D536 PolarHBondContact OG1-OD2 2.91Å
535F94.2Very high94.1Very high57 Ų5750.7 Ų50.725%0.2527%0.272CS..  trans63.613.3-175.1-41-67.7000115.8L488 F499 H500 F502 Y530 S531 T532L488-F535 HydrophobicContact CD2-CD1 4.32Å; L488-F535 HydrophobicContact CD2-CE1 3.67Å; F499-F535 HydrophobicContact CE2-CE1 4.22Å; F499-F535 AromaticContact CE2-CZ 3.93Å; F499-F535 HydrophobicContact CE2-CZ 3.93Å; H500-F535 HydrophobicContact CB-CD1 4.46Å; H500-F535 HydrophobicContact CB-CE1 4.37Å; H500-F535 AromaticContact CD2-CD1 3.94Å; H500-F535 AromaticContact CD2-CG 3.94Å; H500-F535 VanDerWaalsContact CE1-CB 3.48Å; H500-F535 WeakPolarHBondContact CE1-CB 3.36Å; H500-F535 AromaticContact CE1-CD2 3.86Å; H500-F535 AromaticContact CE1-CG 3.64Å; H500-F535 AromaticContact CG-CD1 3.95Å; H500-F535 AromaticContact CG-CG 3.89Å; H500-F535 AromaticContact ND1-CD2 3.67Å; H500-F535 AromaticContact ND1-CG 3.7Å; H500-F535 WeakPolarHBondContact NE2-CB 3.31Å; H500-F535 AromaticContact NE2-CG 3.81Å; F502-F535 HydrophobicContact CE1-CB 4.11Å; F502-F535 HydrophobicContact CE1-CD1 4.38Å; F502-F535 HydrophobicContact CZ-CD1 4.1Å; Y530-F535 WeakPolarHBondContact CD1-O 3.3Å; S531-F535 VanDerWaalsContact O-CA 3.26Å; S531-F535 WeakPolarHBondContact O-CA 3.34Å; S531-F535 PolarHBondContact O-N 3.25Å; S531-F535 VanDerWaalsContact O-N 3.11Å; T532-F535 WeakPolarHBondContact O-CE1 3.43Å
536D94Very high94Very high97 Ų9748 Ų4852%0.51926%0.262SS..  trans-70144.3172.9-64.8-64000111.9Y530 S531 T534 L538Y530-D536 VanDerWaalsContact CA-O 3.26Å; Y530-D536 WeakPolarHBondContact CA-O 3.28Å; Y530-D536 WeakPolarHBondContact CD1-O 3.46Å; S531-D536 PolarHBondContact N-O 3.34Å; T534-D536 VanDerWaalsContact CB-OD2 3.22Å; T534-D536 WeakPolarHBondContact CB-OD2 3.41Å; T534-D536 PolarHBondContact O-N 3.4Å; T534-D536 PolarHBondContact OG1-N 3.15Å; T534-D536 PolarHBondContact OG1-OD2 2.91Å; D536-L538 HydrophobicContact CB-CD2 4.32Å; D536-L538 PolarHBondContact O-N 2.95Å; D536-L538 VanDerWaalsContact O-N 3.12Å
537N93.2Very high93.9Very high55 Ų5552.1 Ų52.129%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-7597.4165.4-176.6-48.1000108.4Q528 Y530 I539 N540Q528-N537 PolarHBondContact NE2-ND2 3.42Å; Q528-N537 VanDerWaalsContact NE2-ND2 3.12Å; Y530-N537 HydrophobicContact CD1-CB 4.14Å; Y530-N537 HydrophobicContact CE1-CB 3.64Å; Y530-N537 PolarHBondContact OH-ND2 2.92Å; N537-I539 PolarHBondContact OD1-O 3.04Å; N537-N540 PolarHBondContact ND2-OD1 2.95Å; N537-N540 PolarHBondContact OD1-ND2 3.1Å; N537-N540 PolarHBondContact OD1-OD1 3.03Å
538L93.9Very high93.9Very high90 Ų9052.2 Ų52.247%0.47128%0.278SS..EExtended strand (participates in β ladder)trans-69.6-47.3-178.1-58.8176000110.7L518 I529 D536L518-L538 HydrophobicContact CD2-CD1 3.55Å; I529-L538 HydrophobicContact CG2-CD1 4.49Å; I529-L538 PolarHBondContact O-N 2.85Å; D536-L538 HydrophobicContact CB-CD2 4.32Å; D536-L538 PolarHBondContact O-N 2.95Å; D536-L538 VanDerWaalsContact O-N 3.12Å
539I94Very high93.8Very high26 Ų2656.7 Ų56.713%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-146140-169.1-65.5174.4000110.6I529 N537 L541 T574 G577I529-I539 HydrophobicContact CB-CB 4.24Å; I529-I539 HydrophobicContact CD1-CB 4.39Å; I529-I539 HydrophobicContact CD1-CG2 4.44Å; I529-I539 PolarHBondContact N-O 3.28Å; I529-I539 PolarHBondContact O-N 3.48Å; N537-I539 PolarHBondContact OD1-O 3.04Å; I539-L541 HydrophobicContact CG2-CD2 3.48Å; I539-L541 VanDerWaalsContact CG2-CD2 3.48Å; I539-L541 HydrophobicContact CG2-CG 4.04Å; I539-T574 WeakPolarHBondContact CD1-O 3.42Å; I539-G577 VanDerWaalsContact CG2-CA 3.46Å
540N94.6Very high93.8Very high66 Ų6657.1 Ų57.135%0.35330%0.298SS..EExtended strand (participates in β ladder)trans-115.7103170-65.4-85.5000110.2V526 I527 Q528 N537 K542V526-N540 HydrophobicContact CG1-CB 4.16Å; I527-N540 CarbonylContact O-C 3.57Å; Q528-N540 WeakPolarHBondContact CG-OD1 3.46Å; Q528-N540 PolarHBondContact NE2-OD1 3.28Å; N537-N540 PolarHBondContact ND2-OD1 2.95Å; N537-N540 PolarHBondContact OD1-ND2 3.1Å; N537-N540 PolarHBondContact OD1-OD1 3.03Å; N540-K542 PolarHBondContact O-N 2.84Å
541L94.9Very high93.8Very high1 Ų156.7 Ų56.71%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-77.7107.5177.5-53176000109.4V526 I527 I529 I539 L560 W572V526-L541 WeakPolarHBondContact CG1-O 3.33Å; I527-L541 HydrophobicContact CB-CB 4.1Å; I527-L541 HydrophobicContact CB-CD1 4.14Å; I527-L541 HydrophobicContact CB-CG 4.49Å; I527-L541 HydrophobicContact CD1-CD1 4.4Å; I527-L541 HydrophobicContact CG2-CD1 4.37Å; I527-L541 PolarHBondContact N-O 3.42Å; I527-L541 VanDerWaalsContact N-O 3.1Å; I527-L541 PolarHBondContact O-N 3.28Å; I529-L541 HydrophobicContact CD1-CD1 3.97Å; I529-L541 HydrophobicContact CD1-CG 4.32Å; I529-L541 HydrophobicContact CG1-CD1 4.42Å; I539-L541 HydrophobicContact CG2-CD2 3.48Å; I539-L541 VanDerWaalsContact CG2-CD2 3.48Å; I539-L541 HydrophobicContact CG2-CG 4.04Å; L541-L560 HydrophobicContact CD1-CD2 4.08Å; L541-W572 HydrophobicContact CB-CD2 3.91Å; L541-W572 HydrophobicContact CB-CE3 3.74Å; L541-W572 HydrophobicContact CB-CH2 4.14Å; L541-W572 HydrophobicContact CB-CZ2 4.31Å; L541-W572 HydrophobicContact CB-CZ3 3.82Å; L541-W572 HydrophobicContact CD1-CB 3.8Å; L541-W572 HydrophobicContact CD1-CD2 3.92Å; L541-W572 HydrophobicContact CD1-CE3 4.34Å; L541-W572 HydrophobicContact CD1-CG 3.68Å; L541-W572 HydrophobicContact CD2-CB 4.14Å; L541-W572 HydrophobicContact CD2-CD2 4.09Å; L541-W572 HydrophobicContact CD2-CE3 3.67Å; L541-W572 HydrophobicContact CD2-CG 4.32Å; L541-W572 HydrophobicContact CD2-CZ3 4.35Å; L541-W572 HydrophobicContact CG-CD2 4.19Å; L541-W572 HydrophobicContact CG-CE3 4.11Å; L541-W572 HydrophobicContact CG-CG 4.41Å
542K93.4Very high93.8Very high142 Ų14258.4 Ų58.462%0.61730%0.304SS*.EExtended strand (participates in β ladder)trans-113.6123-177.8-63.5-179.8-178.6178.10110.2V526 N540V526-K542 HydrophobicContact CG1-CG 3.86Å; V526-K542 HydrophobicContact CG2-CG 3.98Å; N540-K542 PolarHBondContact O-N 2.84Å
543G88.8Confident93.8Very high18 Ų1858.1 Ų58.119%0.18630%0.301CS..  trans-178-36.2177.800000114.8
544H94Very high93.9Very high3 Ų352.9 Ų52.91%0.01427%0.269CS..  trans-62.4136.9175.1-79.4-75.2000111.7N525 I548 S562 D566 A568 Y570N525-H544 HydrophobicContact CB-CB 4.47Å; N525-H544 WeakPolarHBondContact CB-O 3.45Å; N525-H544 PolarHBondContact ND2-O 3.5Å; H544-I548 HydrophobicContact CB-CD1 4.37Å; H544-I548 HydrophobicContact CB-CG1 3.99Å; H544-I548 VanDerWaalsContact CD2-CG1 3.43Å; H544-I548 WeakPolarHBondContact CD2-CG1 3.39Å; H544-S562 PolarHBondContact NE2-OG 2.83Å; H544-D566 WeakPolarHBondContact CA-OD2 3.39Å; H544-D566 WeakPolarHBondContact CB-OD2 3.33Å; H544-D566 IonicContact CE1-OD1 2.66Å; H544-D566 IonicContact CG-OD2 2.65Å; H544-D566 IonicContact ND1-OD1 3.28Å; H544-D566 PolarHBondContact ND1-OD1 2.72Å; H544-D566 IonicContact ND1-OD2 3.85Å; H544-D566 PolarHBondContact ND1-OD2 2.9Å; H544-A568 PolarHBondContact CE1-O 2.86Å; H544-Y570 AromaticContact CD2-CD2 3.69Å; H544-Y570 AromaticContact CE1-CD2 3.56Å; H544-Y570 AromaticContact CE1-CE2 3.9Å; H544-Y570 AromaticContact CG-CD2 3.94Å; H544-Y570 AromaticContact CG-CE2 3.9Å; H544-Y570 AromaticContact ND1-CD2 3.86Å; H544-Y570 AromaticContact ND1-CE2 3.76Å; H544-Y570 AromaticContact NE2-CD2 3.46Å; H544-Y570 WeakPolarHBondContact NE2-CD2 3.03Å
545N92.6Very high93.6Very high144 Ų14453.3 Ų53.377%0.7727%0.268SS*.SBendtrans-96.8-16.8171.3-63.3-62.9000111.6D566N545-D566 HydrophobicContact CB-CB 4.33Å; N545-D566 PolarHBondContact N-OD2 2.84Å
546G91.6Very high93.3Very high17 Ų1754.8 Ų54.818%0.17528%0.278CS..SBendtrans-104.4179.6178.300000112.8N525 I548 D566N525-G546 VanDerWaalsContact CB-O 3.28Å; N525-G546 WeakPolarHBondContact CB-O 3.3Å; G546-I548 PolarHBondContact O-N 2.93Å; G546-D566 PolarHBondContact N-OD2 3.13Å
547K93.9Very high93.3Very high111 Ų11150.8 Ų50.848%0.48326%0.257SS..  trans-71.6127.7167.7-63178.8-179.31760108.6G564 L565K547-G564 WeakPolarHBondContact O-CA 3.39Å; K547-L565 HydrophobicContact CB-CD1 4.1Å; K547-L565 HydrophobicContact CB-CG 4.47Å; K547-L565 PolarHBondContact O-N 2.96Å
548I96.4Very high93.2Very high3 Ų354.5 Ų54.52%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-68.4138.5171.7-62.5149000108.2V522 I527 H544 G546 I551V522-I548 HydrophobicContact CG1-CB 3.89Å; V522-I548 HydrophobicContact CG1-CD1 4.04Å; V522-I548 HydrophobicContact CG1-CG2 4.45Å; V522-I548 HydrophobicContact CG2-CB 4.12Å; V522-I548 HydrophobicContact CG2-CD1 4.41Å; V522-I548 HydrophobicContact CG2-CG2 3.76Å; I527-I548 HydrophobicContact CD1-CD1 4.29Å; I527-I548 HydrophobicContact CG1-CD1 3.6Å; H544-I548 HydrophobicContact CB-CD1 4.37Å; H544-I548 HydrophobicContact CB-CG1 3.99Å; H544-I548 VanDerWaalsContact CD2-CG1 3.43Å; H544-I548 WeakPolarHBondContact CD2-CG1 3.39Å; G546-I548 PolarHBondContact O-N 2.93Å; I548-I551 HydrophobicContact CG2-CG2 3.82Å
549R94.8Very high93.2Very high119 Ų11952.6 Ų52.645%0.44926%0.256SS..EExtended strand (participates in β ladder)trans-112.2-31.9-175.2-84.1-61.6-150.2163.87.6113.7C563 L565R549-C563 PolarHBondContact N-O 2.9Å; R549-L565 HydrophobicContact CG-CD2 3.8Å; R549-L565 HydrophobicContact CG-CG 3.98Å
550S95.2Very high93.2Very high11 Ų1151.3 Ų51.38%0.07725%0.25CC..EExtended strand (participates in β ladder)trans-150.4146.3176.8-174.20000109.9S562 C563S550-S562 WeakPolarHBondContact O-CA 3.35Å; S550-C563 PolarHBondContact N-O 3.47Å; S550-C563 PolarHBondContact O-N 2.93Å
551I96Very high93.2Very high9 Ų948.2 Ų48.25%0.04623%0.233CC..EExtended strand (participates in β ladder)trans-128.6145.916966.6-178.7000108.1E509 A511 G520 V522 I527 I548 L560 I561E509-I551 HydrophobicContact CG-CD1 4.42Å; E509-I551 HydrophobicContact CG-CG1 3.87Å; A511-I551 HydrophobicContact CB-CD1 4.18Å; A511-I551 HydrophobicContact CB-CG1 4.15Å; G520-I551 WeakPolarHBondContact O-CD1 3.22Å; V522-I551 HydrophobicContact CG2-CD1 4.47Å; V522-I551 HydrophobicContact CG2-CG2 3.91Å; I527-I551 HydrophobicContact CD1-CG2 3.83Å; I527-I551 HydrophobicContact CG1-CG2 4.32Å; I548-I551 HydrophobicContact CG2-CG2 3.82Å; I551-L560 HydrophobicContact CB-CD2 4.44Å; I551-I561 CarbonylContact C-O 3.59Å; I551-I561 WeakPolarHBondContact CA-O 3.44Å
552I95.2Very high93.3Very high49 Ų4948.1 Ų48.125%0.25123%0.232SC..EExtended strand (participates in β ladder)trans-143.4139177.2-170.8170.3000109.6I561 V593 V595I552-I561 HydrophobicContact CG2-CB 3.83Å; I552-I561 HydrophobicContact CG2-CG2 4.19Å; I552-I561 PolarHBondContact N-O 3.35Å; I552-I561 PolarHBondContact O-N 3.05Å; I552-V593 HydrophobicContact CG2-CG1 3.84Å; I552-V595 HydrophobicContact CD1-CB 4.42Å; I552-V595 HydrophobicContact CD1-CG2 4.31Å; I552-V595 HydrophobicContact CG2-CG2 3.5Å; I552-V595 VanDerWaalsContact CG2-CG2 3.5Å
553W94.6Very high93.4Very high16 Ų1641.4 Ų41.46%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-91.2145.5174.5-66.193.9000109.5A511 F512 L518 I529 L560 T574A511-W553 PolarHBondContact O-NE1 2.99Å; F512-W553 PolarHBondContact O-NE1 3.13Å; L518-W553 HydrophobicContact CB-CH2 3.67Å; L518-W553 HydrophobicContact CB-CZ2 4.07Å; L518-W553 HydrophobicContact CB-CZ3 4.34Å; L518-W553 HydrophobicContact CD1-CH2 3.69Å; L518-W553 HydrophobicContact CD1-CZ3 3.68Å; L518-W553 HydrophobicContact CG-CH2 4.33Å; I529-W553 HydrophobicContact CD1-CH2 4.18Å; I529-W553 HydrophobicContact CG1-CH2 4.38Å; I529-W553 HydrophobicContact CG2-CH2 4.13Å; W553-L560 HydrophobicContact CD2-CD1 4.14Å; W553-L560 HydrophobicContact CE3-CB 4.39Å; W553-L560 HydrophobicContact CE3-CD1 4.36Å; W553-L560 HydrophobicContact CH2-CD1 3.99Å; W553-L560 HydrophobicContact CZ2-CD1 3.74Å; W553-L560 HydrophobicContact CZ3-CD1 4.31Å; W553-T574 HydrophobicContact CE3-CG2 4.11Å; W553-T574 HydrophobicContact CH2-CG2 4.33Å; W553-T574 HydrophobicContact CZ3-CG2 3.52Å
554S92.5Very high93.7Very high2 Ų240.5 Ų40.51%0.01419%0.194CC..  trans-69.2157.3164.752.80000111.4N514 D556 D557 K559N514-S554 PolarHBondContact ND2-O 3.18Å; S554-D556 WeakPolarHBondContact CB-OD1 3.2Å; S554-D556 PolarHBondContact O-N 3.37Å; S554-D556 PolarHBondContact OG-OD1 3.5Å; S554-D557 PolarHBondContact O-N 3.33Å; S554-K559 PolarHBondContact N-O 2.69Å; S554-K559 PolarHBondContact OG-N 3.14Å; S554-K559 PolarHBondContact OG-O 3Å
555D87.7Confident93.7Very high84 Ų8443.5 Ų43.545%0.44921%0.21SC..THydrogen-bonded Turntrans-59-19.7178.5-80.92.3000113.4Q597D555-Q597 PolarHBondContact OD2-NE2 3.26Å
556D88.9Confident93.8Very high87 Ų8738.1 Ų38.147%0.46518%0.181SC..THydrogen-bonded Turntrans-98.7-1.6177.971.1-8.3000114.3S554 Y558S554-D556 WeakPolarHBondContact CB-OD1 3.2Å; S554-D556 PolarHBondContact O-N 3.37Å; S554-D556 PolarHBondContact OG-OD1 3.5Å; D556-Y558 HydrophobicContact CB-CD2 3.81Å; D556-Y558 HydrophobicContact CB-CE2 4.35Å; D556-Y558 WeakPolarHBondContact O-CD2 3.47Å; D556-Y558 WeakPolarHBondContact O-CE2 3.17Å; D556-Y558 PolarHBondContact O-N 2.92Å; D556-Y558 VanDerWaalsContact O-N 3.12Å; D556-Y558 PolarHBondContact OD1-N 2.94Å
557D92.4Very high93.9Very high14 Ų1437.3 Ų37.38%0.07517%0.173CC..SBendtrans61.62.1-176.8-61.1-36.1000116.7S513 N514 G515 H517 S554 T574S513-D557 WeakPolarHBondContact CA-OD1 3.29Å; S513-D557 WeakPolarHBondContact CB-OD1 3.39Å; N514-D557 WeakPolarHBondContact CB-OD1 3.42Å; N514-D557 PolarHBondContact N-OD1 2.92Å; N514-D557 PolarHBondContact N-OD2 2.99Å; G515-D557 PolarHBondContact N-OD2 3.16Å; H517-D557 IonicContact CE1-OD2 3.02Å; H517-D557 PolarHBondContact CE1-OD2 2.86Å; H517-D557 VanDerWaalsContact CE1-OD2 3.23Å; H517-D557 IonicContact ND1-OD2 3.44Å; S554-D557 PolarHBondContact O-N 3.33Å; D557-T574 PolarHBondContact O-OG1 3.29Å
558Y92.2Very high93.9Very high133 Ų13332 Ų3252%0.52215%0.15SC..SBendtrans-83.4-23.7-179.7-67.6-88.3000114.4D556 T574 Q575D556-Y558 HydrophobicContact CB-CD2 3.81Å; D556-Y558 HydrophobicContact CB-CE2 4.35Å; D556-Y558 WeakPolarHBondContact O-CD2 3.47Å; D556-Y558 WeakPolarHBondContact O-CE2 3.17Å; D556-Y558 PolarHBondContact O-N 2.92Å; D556-Y558 VanDerWaalsContact O-N 3.12Å; D556-Y558 PolarHBondContact OD1-N 2.94Å; Y558-T574 VanDerWaalsContact C-OG1 3.27Å; Y558-T574 VanDerWaalsContact CA-OG1 3.31Å; Y558-T574 WeakPolarHBondContact CA-OG1 3.31Å; Y558-T574 PolarHBondContact O-N 3.09Å; Y558-T574 VanDerWaalsContact O-N 3.12Å; Y558-T574 PolarHBondContact O-OG1 2.87Å; Y558-Q575 HydrophobicContact CD1-CG 4.1Å; Y558-Q575 VanDerWaalsContact CE1-NE2 3.34Å
559K92.4Very high93.9Very high49 Ų4932.2 Ų32.221%0.21315%0.151CC..EExtended strand (participates in β ladder)trans-111.3134.4173-64.4-171176.1-165.20110.5S554 E571 W572 A599S554-K559 PolarHBondContact N-O 2.69Å; S554-K559 PolarHBondContact OG-N 3.14Å; S554-K559 PolarHBondContact OG-O 3Å; K559-E571 IonicContact NZ-OE2 2.74Å; K559-E571 PolarHBondContact NZ-OE2 2.9Å; K559-W572 WeakPolarHBondContact CA-O 3.21Å; K559-A599 HydrophobicContact CD-CB 4.19Å; K559-A599 PolarHBondContact NZ-O 2.9Å
560L95Very high94Very high0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-113.8136.6163.6-176.3153.7000108.4I527 L541 I551 W553 W572 T574I527-L560 HydrophobicContact CD1-CD2 3.75Å; I527-L560 HydrophobicContact CG2-CD1 4.4Å; L541-L560 HydrophobicContact CD1-CD2 4.08Å; I551-L560 HydrophobicContact CB-CD2 4.44Å; W553-L560 HydrophobicContact CD2-CD1 4.14Å; W553-L560 HydrophobicContact CE3-CB 4.39Å; W553-L560 HydrophobicContact CE3-CD1 4.36Å; W553-L560 HydrophobicContact CH2-CD1 3.99Å; W553-L560 HydrophobicContact CZ2-CD1 3.74Å; W553-L560 HydrophobicContact CZ3-CD1 4.31Å; L560-W572 HydrophobicContact CB-CB 4.47Å; L560-W572 PolarHBondContact N-O 3.25Å; L560-W572 WeakPolarHBondContact O-CB 3.46Å; L560-W572 VanDerWaalsContact O-CD1 3.29Å; L560-W572 PolarHBondContact O-N 3.06Å; L560-T574 HydrophobicContact CB-CG2 3.58Å
561I95.5Very high94Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-123133.4-176-65.8169.4000108.6I551 I552 V569 Y570 E571 V593 V595 V602I551-I561 CarbonylContact C-O 3.59Å; I551-I561 WeakPolarHBondContact CA-O 3.44Å; I552-I561 HydrophobicContact CG2-CB 3.83Å; I552-I561 HydrophobicContact CG2-CG2 4.19Å; I552-I561 PolarHBondContact N-O 3.35Å; I552-I561 PolarHBondContact O-N 3.05Å; I561-V569 HydrophobicContact CG2-CG1 4.21Å; I561-Y570 WeakPolarHBondContact CA-O 3.42Å; I561-E571 HydrophobicContact CD1-CG 4.22Å; I561-E571 HydrophobicContact CG1-CB 4.28Å; I561-E571 HydrophobicContact CG1-CG 4Å; I561-V593 HydrophobicContact CG2-CG1 4.45Å; I561-V593 HydrophobicContact CG2-CG2 3.79Å; I561-V595 HydrophobicContact CB-CG2 4.16Å; I561-V595 HydrophobicContact CD1-CB 4.35Å; I561-V595 HydrophobicContact CD1-CG1 3.83Å; I561-V595 HydrophobicContact CD1-CG2 3.48Å; I561-V595 VanDerWaalsContact CD1-CG2 3.48Å; I561-V595 HydrophobicContact CG1-CG2 4.37Å; I561-V595 HydrophobicContact CG2-CG2 4.18Å; I561-V602 HydrophobicContact CD1-CG2 3.8Å; I561-V602 HydrophobicContact CG2-CG1 3.84Å; I561-V602 HydrophobicContact CG2-CG2 4.43Å
562S96.3Very high93.9Very high0 Ų026.6 Ų26.60%013%0.128CC..EExtended strand (participates in β ladder)trans-136145.4-174.867.30000112.8I527 H544 S550 V569 Y570 W572I527-S562 VanDerWaalsContact CD1-CB 3.43Å; H544-S562 PolarHBondContact NE2-OG 2.83Å; S550-S562 WeakPolarHBondContact O-CA 3.35Å; S562-V569 VanDerWaalsContact O-CA 3.32Å; S562-V569 WeakPolarHBondContact O-CA 3.4Å; S562-Y570 PolarHBondContact N-O 3.23Å; S562-Y570 PolarHBondContact O-N 3.48Å; S562-W572 PolarHBondContact OG-NE1 3.37Å
563C95.7Very high93.8Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-130.4152.7174.176.40000112.5R549 S550 A568 V569 Y590 S592 V593R549-C563 PolarHBondContact N-O 2.9Å; S550-C563 PolarHBondContact N-O 3.47Å; S550-C563 PolarHBondContact O-N 2.93Å; C563-A568 WeakPolarHBondContact CA-O 3.43Å; C563-V569 HydrophobicContact CB-CG2 4.03Å; C563-Y590 HydrophobicContact CB-CG 4.47Å; C563-S592 VanDerWaalsContact SG-C 3.57Å; C563-V593 HydrophobicContact CB-CB 4.2Å; C563-V593 HydrophobicContact CB-CG1 4.32Å
564G94.5Very high93.7Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-148.9170.1-172.400000116.1K547 D566 G567 A568 Y590K547-G564 WeakPolarHBondContact O-CA 3.39Å; G564-D566 WeakPolarHBondContact CA-OD1 3.25Å; G564-D566 PolarHBondContact O-N 2.91Å; G564-G567 PolarHBondContact O-N 3.37Å; G564-G567 VanDerWaalsContact O-N 3.12Å; G564-A568 PolarHBondContact N-O 2.89Å; G564-Y590 PolarHBondContact O-N 2.96Å
565L94.5Very high93.5Very high65 Ų6531.4 Ų31.434%0.3415%0.152SC..THydrogen-bonded Turntrans-69.4-4.9177.2-61-176.8000114.1K547 R549 S589K547-L565 HydrophobicContact CB-CD1 4.1Å; K547-L565 HydrophobicContact CB-CG 4.47Å; K547-L565 PolarHBondContact O-N 2.96Å; R549-L565 HydrophobicContact CG-CD2 3.8Å; R549-L565 HydrophobicContact CG-CG 3.98Å; L565-S589 PolarHBondContact O-OG 3.24Å
566D93.9Very high93.6Very high31 Ų3134.5 Ų34.517%0.16616%0.161CC..THydrogen-bonded Turntrans-80.9-3.3169.547.44000113.6H544 N545 G546 G564 A568H544-D566 WeakPolarHBondContact CA-OD2 3.39Å; H544-D566 WeakPolarHBondContact CB-OD2 3.33Å; H544-D566 IonicContact CE1-OD1 2.66Å; H544-D566 IonicContact CG-OD2 2.65Å; H544-D566 IonicContact ND1-OD1 3.28Å; H544-D566 PolarHBondContact ND1-OD1 2.72Å; H544-D566 IonicContact ND1-OD2 3.85Å; H544-D566 PolarHBondContact ND1-OD2 2.9Å; N545-D566 HydrophobicContact CB-CB 4.33Å; N545-D566 PolarHBondContact N-OD2 2.84Å; G546-D566 PolarHBondContact N-OD2 3.13Å; G564-D566 WeakPolarHBondContact CA-OD1 3.25Å; G564-D566 PolarHBondContact O-N 2.91Å; D566-A568 VanDerWaalsContact C-N 3.29Å; D566-A568 PolarHBondContact OD1-N 3.44Å
567G93.7Very high93.6Very high0 Ų031.4 Ų31.40%015%0.15CC..SBendtrans74.222.2-176.500000112.9G564 V584 L585 C588 Y590G564-G567 PolarHBondContact O-N 3.37Å; G564-G567 VanDerWaalsContact O-N 3.12Å; G567-V584 CarbonylContact O-C 3.5Å; G567-V584 WeakPolarHBondContact O-CA 3.3Å; G567-L585 PolarHBondContact O-N 3.4Å; G567-C588 WeakPolarHBondContact CA-O 3.24Å; G567-C588 PolarHBondContact N-O 3.22Å; G567-Y590 VanDerWaalsContact O-CE2 3.29Å; G567-Y590 WeakPolarHBondContact O-CE2 3.48Å
568A95.4Very high93.6Very high1 Ų134.1 Ų34.11%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-101141.8173.400000111.7H544 C563 G564 D566 Y570 N583 V584H544-A568 PolarHBondContact CE1-O 2.86Å; C563-A568 WeakPolarHBondContact CA-O 3.43Å; G564-A568 PolarHBondContact N-O 2.89Å; D566-A568 VanDerWaalsContact C-N 3.29Å; D566-A568 PolarHBondContact OD1-N 3.44Å; A568-Y570 HydrophobicContact CB-CD2 4.11Å; A568-Y570 HydrophobicContact CB-CE1 4.31Å; A568-Y570 HydrophobicContact CB-CE2 3.55Å; A568-N583 CarbonylContact C-O 3.56Å; A568-N583 WeakPolarHBondContact CA-O 3.46Å; A568-V584 HydrophobicContact CB-CG2 4.07Å
569V96.3Very high93.5Very high6 Ų634.1 Ų34.14%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-115.6125.1157.2-176.90000107.2I561 S562 C563 N583 Y590 V593 V602 A604 I614I561-V569 HydrophobicContact CG2-CG1 4.21Å; S562-V569 VanDerWaalsContact O-CA 3.32Å; S562-V569 WeakPolarHBondContact O-CA 3.4Å; C563-V569 HydrophobicContact CB-CG2 4.03Å; V569-N583 PolarHBondContact N-O 3.49Å; V569-N583 PolarHBondContact O-N 3.36Å; V569-Y590 HydrophobicContact CG2-CD1 4.46Å; V569-Y590 HydrophobicContact CG2-CD2 3.64Å; V569-Y590 HydrophobicContact CG2-CE1 4.47Å; V569-Y590 HydrophobicContact CG2-CE2 3.64Å; V569-Y590 HydrophobicContact CG2-CG 4.07Å; V569-V593 HydrophobicContact CG1-CG2 4.41Å; V569-V602 HydrophobicContact CG1-CG1 3.98Å; V569-A604 HydrophobicContact CG2-CB 3.95Å; V569-I614 HydrophobicContact CB-CD1 4.39Å; V569-I614 HydrophobicContact CG2-CD1 4.13Å
570Y95.5Very high93.5Very high13 Ų1335.6 Ų35.65%0.05118%0.175CC..EExtended strand (participates in β ladder)trans-119.3135.6179.9-68.8-55.1000110.9H544 I561 S562 A568 W572 E582 V584H544-Y570 AromaticContact CD2-CD2 3.69Å; H544-Y570 AromaticContact CE1-CD2 3.56Å; H544-Y570 AromaticContact CE1-CE2 3.9Å; H544-Y570 AromaticContact CG-CD2 3.94Å; H544-Y570 AromaticContact CG-CE2 3.9Å; H544-Y570 AromaticContact ND1-CD2 3.86Å; H544-Y570 AromaticContact ND1-CE2 3.76Å; H544-Y570 AromaticContact NE2-CD2 3.46Å; H544-Y570 WeakPolarHBondContact NE2-CD2 3.03Å; I561-Y570 WeakPolarHBondContact CA-O 3.42Å; S562-Y570 PolarHBondContact N-O 3.23Å; S562-Y570 PolarHBondContact O-N 3.48Å; A568-Y570 HydrophobicContact CB-CD2 4.11Å; A568-Y570 HydrophobicContact CB-CE1 4.31Å; A568-Y570 HydrophobicContact CB-CE2 3.55Å; Y570-W572 AromaticContact CD2-CZ2 3.82Å; Y570-W572 HydrophobicContact CD2-CZ2 3.82Å; Y570-W572 AromaticContact CG-CZ2 4Å; Y570-W572 HydrophobicContact CG-CZ2 4Å; Y570-E582 HydrophobicContact CD1-CB 3.5Å; Y570-E582 VanDerWaalsContact CD1-CB 3.5Å; Y570-E582 HydrophobicContact CE1-CB 3.5Å; Y570-E582 VanDerWaalsContact CE1-CB 3.5Å; Y570-E582 HydrophobicContact CE1-CG 4.47Å; Y570-E582 WeakPolarHBondContact CE1-OE2 3.33Å; Y570-V584 HydrophobicContact CE1-CG2 4.42Å
571E95.2Very high93.4Very high6 Ų637.2 Ų37.23%0.02818%0.184CC..EExtended strand (participates in β ladder)trans-98.7131.8164.2-54.2-176.6-140.500109.6K559 I561 I580 N581K559-E571 IonicContact NZ-OE2 2.74Å; K559-E571 PolarHBondContact NZ-OE2 2.9Å; I561-E571 HydrophobicContact CD1-CG 4.22Å; I561-E571 HydrophobicContact CG1-CB 4.28Å; I561-E571 HydrophobicContact CG1-CG 4Å; E571-I580 HydrophobicContact CB-CB 4.36Å; E571-I580 PolarHBondContact O-N 3.05Å; E571-N581 HydrophobicContact CB-CB 4.03Å; E571-N581 VanDerWaalsContact CD-ND2 3.32Å; E571-N581 HydrophobicContact CG-CB 3.85Å; E571-N581 PolarHBondContact N-O 3.14Å; E571-N581 WeakPolarHBondContact OE1-CB 3.48Å; E571-N581 PolarHBondContact OE1-ND2 2.74Å; E571-N581 PolarHBondContact OE2-ND2 2.92Å
572W94.9Very high93.2Very high3 Ų341.8 Ų41.81%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-121136.5-174.3-55.892.7000111.5L541 K559 L560 S562 Y570 T574 R579L541-W572 HydrophobicContact CB-CD2 3.91Å; L541-W572 HydrophobicContact CB-CE3 3.74Å; L541-W572 HydrophobicContact CB-CH2 4.14Å; L541-W572 HydrophobicContact CB-CZ2 4.31Å; L541-W572 HydrophobicContact CB-CZ3 3.82Å; L541-W572 HydrophobicContact CD1-CB 3.8Å; L541-W572 HydrophobicContact CD1-CD2 3.92Å; L541-W572 HydrophobicContact CD1-CE3 4.34Å; L541-W572 HydrophobicContact CD1-CG 3.68Å; L541-W572 HydrophobicContact CD2-CB 4.14Å; L541-W572 HydrophobicContact CD2-CD2 4.09Å; L541-W572 HydrophobicContact CD2-CE3 3.67Å; L541-W572 HydrophobicContact CD2-CG 4.32Å; L541-W572 HydrophobicContact CD2-CZ3 4.35Å; L541-W572 HydrophobicContact CG-CD2 4.19Å; L541-W572 HydrophobicContact CG-CE3 4.11Å; L541-W572 HydrophobicContact CG-CG 4.41Å; K559-W572 WeakPolarHBondContact CA-O 3.21Å; L560-W572 HydrophobicContact CB-CB 4.47Å; L560-W572 PolarHBondContact N-O 3.25Å; L560-W572 WeakPolarHBondContact O-CB 3.46Å; L560-W572 VanDerWaalsContact O-CD1 3.29Å; L560-W572 PolarHBondContact O-N 3.06Å; S562-W572 PolarHBondContact OG-NE1 3.37Å; Y570-W572 AromaticContact CD2-CZ2 3.82Å; Y570-W572 HydrophobicContact CD2-CZ2 3.82Å; Y570-W572 AromaticContact CG-CZ2 4Å; Y570-W572 HydrophobicContact CG-CZ2 4Å; W572-T574 PolarHBondContact O-N 2.87Å; W572-R579 HydrophobicContact CD2-CG 4.34Å; W572-R579 HydrophobicContact CE3-CG 3.6Å; W572-R579 HydrophobicContact CH2-CG 3.6Å; W572-R579 HydrophobicContact CZ2-CG 4.31Å; W572-R579 HydrophobicContact CZ3-CB 4.46Å; W572-R579 HydrophobicContact CZ3-CG 3.21Å
573D94Very high93.1Very high19 Ų1942.6 Ų42.610%0.10221%0.21CC..EExtended strand (participates in β ladder)trans-76.9113.4167.5-175.1-39.9000108.9Q575 K576 G577 T578 I580D573-Q575 VanDerWaalsContact C-N 3.25Å; D573-Q575 PolarHBondContact O-N 3.35Å; D573-Q575 WeakPolarHBondContact OD1-CA 3.39Å; D573-Q575 WeakPolarHBondContact OD1-CB 3.44Å; D573-Q575 PolarHBondContact OD1-N 3.43Å; D573-K576 HydrophobicContact CB-CB 4.26Å; D573-K576 PolarHBondContact OD1-N 2.98Å; D573-K576 WeakPolarHBondContact OD2-CD 3.22Å; D573-K576 WeakPolarHBondContact OD2-CG 3.38Å; D573-K576 IonicContact OD2-NZ 3.99Å; D573-K576 PolarHBondContact OD2-NZ 3.49Å; D573-G577 WeakPolarHBondContact O-CA 3.46Å; D573-G577 PolarHBondContact O-N 3.08Å; D573-T578 PolarHBondContact N-O 2.88Å; D573-I580 HydrophobicContact CB-CD1 3.9Å; D573-I580 HydrophobicContact CB-CG1 3.97Å
574T91.3Very high93Very high13 Ų1346.1 Ų46.18%0.0823%0.231CC..THydrogen-bonded Turntrans-78.2-7.1-176.262.90000113.4I529 I539 W553 D557 Y558 L560 W572I529-T574 HydrophobicContact CD1-CG2 4.27Å; I539-T574 WeakPolarHBondContact CD1-O 3.42Å; W553-T574 HydrophobicContact CE3-CG2 4.11Å; W553-T574 HydrophobicContact CH2-CG2 4.33Å; W553-T574 HydrophobicContact CZ3-CG2 3.52Å; D557-T574 PolarHBondContact O-OG1 3.29Å; Y558-T574 VanDerWaalsContact C-OG1 3.27Å; Y558-T574 VanDerWaalsContact CA-OG1 3.31Å; Y558-T574 WeakPolarHBondContact CA-OG1 3.31Å; Y558-T574 PolarHBondContact O-N 3.09Å; Y558-T574 VanDerWaalsContact O-N 3.12Å; Y558-T574 PolarHBondContact O-OG1 2.87Å; L560-T574 HydrophobicContact CB-CG2 3.58Å; W572-T574 PolarHBondContact O-N 2.87Å
575Q89.2Confident92.9Very high136 Ų13648 Ų4864%0.63624%0.24SC*.THydrogen-bonded Turntrans-96.6-40.2174-59.5-162.9-41.300112.1Y558 D573Y558-Q575 HydrophobicContact CD1-CG 4.1Å; Y558-Q575 VanDerWaalsContact CE1-NE2 3.34Å; D573-Q575 VanDerWaalsContact C-N 3.25Å; D573-Q575 PolarHBondContact O-N 3.35Å; D573-Q575 WeakPolarHBondContact OD1-CA 3.39Å; D573-Q575 WeakPolarHBondContact OD1-CB 3.44Å; D573-Q575 PolarHBondContact OD1-N 3.43Å
576K89.8Confident92.6Very high149 Ų14954.1 Ų54.165%0.64826%0.264SS*.THydrogen-bonded Turntrans-92.8-21.3-178-57.6-170.3-162.890.40113.6D573 T578D573-K576 HydrophobicContact CB-CB 4.26Å; D573-K576 PolarHBondContact OD1-N 2.98Å; D573-K576 WeakPolarHBondContact OD2-CD 3.22Å; D573-K576 WeakPolarHBondContact OD2-CG 3.38Å; D573-K576 IonicContact OD2-NZ 3.99Å; D573-K576 PolarHBondContact OD2-NZ 3.49Å; K576-T578 VanDerWaalsContact C-N 3.3Å; K576-T578 HydrophobicContact CB-CG2 4.22Å; K576-T578 WeakPolarHBondContact CB-OG1 3.4Å
577G89Confident92.4Very high22 Ų2257.2 Ų57.223%0.22729%0.289CS..  trans72.122.4-175.500000114.2I539 D573I539-G577 VanDerWaalsContact CG2-CA 3.46Å; D573-G577 WeakPolarHBondContact O-CA 3.46Å; D573-G577 PolarHBondContact O-N 3.08Å
578T91.4Very high92.3Very high70 Ų7057.3 Ų57.343%0.42929%0.289SS..  trans-109.7149.4-174.252.10000111.8D573 K576D573-T578 PolarHBondContact N-O 2.88Å; K576-T578 VanDerWaalsContact C-N 3.3Å; K576-T578 HydrophobicContact CB-CG2 4.22Å; K576-T578 WeakPolarHBondContact CB-OG1 3.4Å
579R91.4Very high92.3Very high133 Ų13359.2 Ų59.250%0.50230%0.303SS..EExtended strand (participates in β ladder)trans-69135.1172.6-70.4177.1-96.9164.7-4110.3W572 E582W572-R579 HydrophobicContact CD2-CG 4.34Å; W572-R579 HydrophobicContact CE3-CG 3.6Å; W572-R579 HydrophobicContact CH2-CG 3.6Å; W572-R579 HydrophobicContact CZ2-CG 4.31Å; W572-R579 HydrophobicContact CZ3-CB 4.46Å; W572-R579 HydrophobicContact CZ3-CG 3.21Å; R579-E582 IonicContact NH1-OE2 3.26Å
580I91.6Very high92.3Very high81 Ų8159 Ų5942%0.41530%0.301SS..EExtended strand (participates in β ladder)trans-102.1-65.9177.3-54.8173.7000110E571 D573E571-I580 HydrophobicContact CB-CB 4.36Å; E571-I580 PolarHBondContact O-N 3.05Å; D573-I580 HydrophobicContact CB-CD1 3.9Å; D573-I580 HydrophobicContact CB-CG1 3.97Å
581N91.8Very high92.2Very high33 Ų3360.3 Ų60.318%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-120.4150-179.1-77.2-29.8000109.6E571 S617E571-N581 HydrophobicContact CB-CB 4.03Å; E571-N581 VanDerWaalsContact CD-ND2 3.32Å; E571-N581 HydrophobicContact CG-CB 3.85Å; E571-N581 PolarHBondContact N-O 3.14Å; E571-N581 WeakPolarHBondContact OE1-CB 3.48Å; E571-N581 PolarHBondContact OE1-ND2 2.74Å; E571-N581 PolarHBondContact OE2-ND2 2.92Å; N581-S617 WeakPolarHBondContact CA-OG 3.33Å; N581-S617 WeakPolarHBondContact CB-OG 3.37Å; N581-S617 PolarHBondContact OD1-OG 3.24Å
582E92.6Very high92.3Very high97 Ų9760.4 Ų60.445%0.45331%0.312SS..EExtended strand (participates in β ladder)trans-141.7127.617660.1178.1-151.800112.4Y570 R579 S617Y570-E582 HydrophobicContact CD1-CB 3.5Å; Y570-E582 VanDerWaalsContact CD1-CB 3.5Å; Y570-E582 HydrophobicContact CE1-CB 3.5Å; Y570-E582 VanDerWaalsContact CE1-CB 3.5Å; Y570-E582 HydrophobicContact CE1-CG 4.47Å; Y570-E582 WeakPolarHBondContact CE1-OE2 3.33Å; R579-E582 IonicContact NH1-OE2 3.26Å; E582-S617 PolarHBondContact N-OG 3.38Å; E582-S617 VanDerWaalsContact N-OG 3.1Å; E582-S617 VanDerWaalsContact O-CB 3.31Å; E582-S617 WeakPolarHBondContact O-CB 3.43Å
583N93.6Very high92.3Very high17 Ų1760.5 Ų60.59%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-117.1117.8169.6-173.3-89.2000108.9A568 V569 Y590 I614 S617A568-N583 CarbonylContact C-O 3.56Å; A568-N583 WeakPolarHBondContact CA-O 3.46Å; V569-N583 PolarHBondContact N-O 3.49Å; V569-N583 PolarHBondContact O-N 3.36Å; N583-Y590 PolarHBondContact OD1-OH 3.28Å; N583-I614 HydrophobicContact CB-CD1 4.09Å; N583-I614 HydrophobicContact CB-CG2 4.01Å; N583-S617 PolarHBondContact ND2-O 2.99Å
584V94Very high92.3Very high73 Ų7359.7 Ų59.744%0.44231%0.309SS..EExtended strand (participates in β ladder)trans-126.2114-174.2-174.60000110.8G567 A568 Y570G567-V584 CarbonylContact O-C 3.5Å; G567-V584 WeakPolarHBondContact O-CA 3.3Å; A568-V584 HydrophobicContact CB-CG2 4.07Å; Y570-V584 HydrophobicContact CE1-CG2 4.42Å
585L92.6Very high92.4Very high39 Ų3959.8 Ų59.820%0.20431%0.309CS..  trans-129.289.3-174.9-161.5135.7000109.6G567 S587 C588 I619G567-L585 PolarHBondContact O-N 3.4Å; L585-S587 VanDerWaalsContact CD2-OG 3.25Å; L585-S587 WeakPolarHBondContact CD2-OG 3.18Å; L585-S587 PolarHBondContact O-N 2.88Å; L585-C588 HydrophobicContact CD2-CB 3.6Å; L585-C588 PolarHBondContact O-N 3.47Å; L585-I619 HydrophobicContact CD1-CD1 3.71Å
586K88.4Confident92.5Very high194 Ų19453.9 Ų53.984%0.84328%0.283SS*.THydrogen-bonded Turntrans-60-15.3-168.8-64.8-179.3175.51760115.9
587S90Very high92.2Very high97 Ų9752.1 Ų52.168%0.67828%0.277SS*.THydrogen-bonded Turntrans-85.6-11.4175.347.30000113.7L585L585-S587 VanDerWaalsContact CD2-OG 3.25Å; L585-S587 WeakPolarHBondContact CD2-OG 3.18Å; L585-S587 PolarHBondContact O-N 2.88Å
588C91.8Very high91.9Very high2 Ų255.2 Ų55.21%0.01429%0.288CS..  trans-106.6141.5177.5-170.20000110.5G567 L585 Y590 D608G567-C588 WeakPolarHBondContact CA-O 3.24Å; G567-C588 PolarHBondContact N-O 3.22Å; L585-C588 HydrophobicContact CD2-CB 3.6Å; L585-C588 PolarHBondContact O-N 3.47Å; C588-Y590 HydrophobicContact CB-CE1 4.46Å; C588-D608 VanDerWaalsContact CB-OD2 3.26Å; C588-D608 WeakPolarHBondContact CB-OD2 3.09Å; C588-D608 PolarHBondContact SG-OD1 3.21Å; C588-D608 PolarHBondContact SG-OD2 3.17Å
589S94.4Very high91.6Very high41 Ų4152.2 Ų52.229%0.28727%0.271SS..  trans-106106159.1-73.50000107.9L565 G606 S607L565-S589 PolarHBondContact O-OG 3.24Å; S589-G606 CarbonylContact O-C 3.58Å; S589-G606 WeakPolarHBondContact O-CA 3.27Å; S589-S607 PolarHBondContact N-OG 3.4Å; S589-S607 PolarHBondContact O-N 3.1Å
590Y95.7Very high91.4Very high0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-70.3136.3179.5-67.5-64.5000110.9C563 G564 G567 V569 N583 C588 A604 V605 K612C563-Y590 HydrophobicContact CB-CG 4.47Å; G564-Y590 PolarHBondContact O-N 2.96Å; G567-Y590 VanDerWaalsContact O-CE2 3.29Å; G567-Y590 WeakPolarHBondContact O-CE2 3.48Å; V569-Y590 HydrophobicContact CG2-CD1 4.46Å; V569-Y590 HydrophobicContact CG2-CD2 3.64Å; V569-Y590 HydrophobicContact CG2-CE1 4.47Å; V569-Y590 HydrophobicContact CG2-CE2 3.64Å; V569-Y590 HydrophobicContact CG2-CG 4.07Å; N583-Y590 PolarHBondContact OD1-OH 3.28Å; C588-Y590 HydrophobicContact CB-CE1 4.46Å; Y590-A604 HydrophobicContact CD1-CB 3.8Å; Y590-A604 HydrophobicContact CE1-CB 3.72Å; Y590-V605 WeakPolarHBondContact CA-O 3.45Å; Y590-K612 HydrophobicContact CE1-CD 4.16Å; Y590-K612 WeakPolarHBondContact OH-CD 3.46Å
591T94.7Very high91.3Very high41 Ų4149.3 Ų49.325%0.25226%0.261SS..EExtended strand (participates in β ladder)trans-110.8-29.2-177.356.30000112.9V605 T631T591-V605 PolarHBondContact N-O 2.91Å; T591-V605 PolarHBondContact OG1-O 2.88Å; T591-T631 WeakPolarHBondContact CB-O 3.46Å; T591-T631 PolarHBondContact OG1-O 3.09Å
592S95.6Very high91.5Very high9 Ų947.8 Ų47.86%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-153.8155.5-177.8-175.50000110.8C563 V605 T632 V633C563-S592 VanDerWaalsContact SG-C 3.57Å; S592-V605 PolarHBondContact O-N 3.4Å; S592-T632 PolarHBondContact OG-OG1 3.3Å; S592-V633 PolarHBondContact OG-N 2.91Å; S592-V633 VanDerWaalsContact OG-N 3.17Å
593V95.9Very high91.6Very high5 Ų543.6 Ų43.63%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-140.3142.8178.862.70000109.7I552 I561 C563 V569 V602 Y603I552-V593 HydrophobicContact CG2-CG1 3.84Å; I561-V593 HydrophobicContact CG2-CG1 4.45Å; I561-V593 HydrophobicContact CG2-CG2 3.79Å; C563-V593 HydrophobicContact CB-CB 4.2Å; C563-V593 HydrophobicContact CB-CG1 4.32Å; V569-V593 HydrophobicContact CG1-CG2 4.41Å; V593-V602 HydrophobicContact CG2-CG1 3.28Å; V593-Y603 CarbonylContact C-O 3.6Å; V593-Y603 VanDerWaalsContact CA-O 3.29Å; V593-Y603 WeakPolarHBondContact CA-O 3.43Å
594A94.8Very high91.7Very high2 Ų242.8 Ų42.82%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-131.9159.5172.300000109.5Y603 V633A594-Y603 PolarHBondContact N-O 2.86Å; A594-Y603 PolarHBondContact O-N 3.45Å; A594-V633 HydrophobicContact CB-CG1 3.94Å; A594-V633 HydrophobicContact CB-CG2 4.22Å
595V92.6Very high91.7Very high15 Ų1539.3 Ų39.39%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-138.8140.5-168.7-1800000109.6I552 I561 A599 V602 I635I552-V595 HydrophobicContact CD1-CB 4.42Å; I552-V595 HydrophobicContact CD1-CG2 4.31Å; I552-V595 HydrophobicContact CG2-CG2 3.5Å; I552-V595 VanDerWaalsContact CG2-CG2 3.5Å; I561-V595 HydrophobicContact CB-CG2 4.16Å; I561-V595 HydrophobicContact CD1-CB 4.35Å; I561-V595 HydrophobicContact CD1-CG1 3.83Å; I561-V595 HydrophobicContact CD1-CG2 3.48Å; I561-V595 VanDerWaalsContact CD1-CG2 3.48Å; I561-V595 HydrophobicContact CG1-CG2 4.37Å; I561-V595 HydrophobicContact CG2-CG2 4.18Å; V595-A599 HydrophobicContact CG1-CB 4.13Å; V595-V602 HydrophobicContact CG2-CG1 4.46Å; V595-V602 HydrophobicContact CG2-CG2 4.45Å; V595-I635 VanDerWaalsContact O-CG2 3.26Å; V595-I635 WeakPolarHBondContact O-CG2 3.21Å
596S90.5Very high91.7Very high11 Ų1137.4 Ų37.48%0.07720%0.198CC..  trans-63.1156.2174.462.30000112.3D598 A599 K600 T601S596-D598 WeakPolarHBondContact CB-OD1 3.26Å; S596-D598 PolarHBondContact O-N 2.92Å; S596-D598 PolarHBondContact OG-OD1 3.19Å; S596-A599 WeakPolarHBondContact O-CA 3.32Å; S596-A599 PolarHBondContact O-N 3.29Å; S596-A599 PolarHBondContact OG-N 2.92Å; S596-K600 PolarHBondContact OG-N 3.38Å; S596-T601 WeakPolarHBondContact CB-OG1 3.5Å; S596-T601 PolarHBondContact N-O 3.19Å; S596-T601 PolarHBondContact OG-N 3.31Å; S596-T601 PolarHBondContact OG-O 2.73Å; S596-T601 PolarHBondContact OG-OG1 2.85Å
597Q85.1Confident92Very high113 Ų11331.1 Ų31.153%0.52818%0.178SC..THydrogen-bonded Turntrans-58.5-29.4175.1171.215871.400113.2D555 A599D555-Q597 PolarHBondContact OD2-NE2 3.26Å; Q597-A599 VanDerWaalsContact C-N 3.28Å
598D82.6Confident92Very high87 Ų8728.6 Ų28.647%0.46516%0.157SC..THydrogen-bonded Turntrans-850.917681.8-27.2000114.1S596 K600S596-D598 WeakPolarHBondContact CB-OD1 3.26Å; S596-D598 PolarHBondContact O-N 2.92Å; S596-D598 PolarHBondContact OG-OD1 3.19Å; D598-K600 PolarHBondContact O-N 2.72Å; D598-K600 VanDerWaalsContact O-N 3.11Å; D598-K600 PolarHBondContact OD1-N 2.84Å; D598-K600 VanDerWaalsContact OD2-CD 3.27Å; D598-K600 WeakPolarHBondContact OD2-CD 3.12Å; D598-K600 VanDerWaalsContact OD2-CE 3.31Å; D598-K600 WeakPolarHBondContact OD2-CE 3.38Å; D598-K600 IonicContact OD2-NZ 3.6Å; D598-K600 PolarHBondContact OD2-NZ 3.06Å
599A84.2Confident92Very high7 Ų732.2 Ų32.26%0.05817%0.172CC..SBendtrans50.930179.700000115K559 V595 S596 Q597K559-A599 HydrophobicContact CD-CB 4.19Å; K559-A599 PolarHBondContact NZ-O 2.9Å; V595-A599 HydrophobicContact CG1-CB 4.13Å; S596-A599 WeakPolarHBondContact O-CA 3.32Å; S596-A599 PolarHBondContact O-N 3.29Å; S596-A599 PolarHBondContact OG-N 2.92Å; Q597-A599 VanDerWaalsContact C-N 3.28Å
600K86.9Confident91.9Very high127 Ų12730.7 Ų30.755%0.55216%0.161SC*.SBendtrans-101.6-25174.7-63.4-174.4-154.2126.90113.9S596 D598S596-K600 PolarHBondContact OG-N 3.38Å; D598-K600 PolarHBondContact O-N 2.72Å; D598-K600 VanDerWaalsContact O-N 3.11Å; D598-K600 PolarHBondContact OD1-N 2.84Å; D598-K600 VanDerWaalsContact OD2-CD 3.27Å; D598-K600 WeakPolarHBondContact OD2-CD 3.12Å; D598-K600 VanDerWaalsContact OD2-CE 3.31Å; D598-K600 WeakPolarHBondContact OD2-CE 3.38Å; D598-K600 IonicContact OD2-NZ 3.6Å; D598-K600 PolarHBondContact OD2-NZ 3.06Å
601T90.7Very high91.8Very high25 Ų2530.7 Ų30.715%0.15316%0.161CC..  trans-120.4141.9178.7690000111.4S596 Y603 I614S596-T601 WeakPolarHBondContact CB-OG1 3.5Å; S596-T601 PolarHBondContact N-O 3.19Å; S596-T601 PolarHBondContact OG-N 3.31Å; S596-T601 PolarHBondContact OG-O 2.73Å; S596-T601 PolarHBondContact OG-OG1 2.85Å; T601-Y603 PolarHBondContact OG1-OH 3.48Å; T601-Y603 VanDerWaalsContact OG1-OH 3.05Å; T601-I614 WeakPolarHBondContact CA-O 3.38Å
602V94.2Very high91.8Very high1 Ų128.8 Ų28.81%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-127.3126.2-171.8-177.10000108.7I561 V569 V593 V595 I614I561-V602 HydrophobicContact CD1-CG2 3.8Å; I561-V602 HydrophobicContact CG2-CG1 3.84Å; I561-V602 HydrophobicContact CG2-CG2 4.43Å; V569-V602 HydrophobicContact CG1-CG1 3.98Å; V593-V602 HydrophobicContact CG2-CG1 3.28Å; V595-V602 HydrophobicContact CG2-CG1 4.46Å; V595-V602 HydrophobicContact CG2-CG2 4.45Å; V602-I614 HydrophobicContact CB-CB 4.34Å; V602-I614 PolarHBondContact N-O 3.28Å; V602-I614 WeakPolarHBondContact O-CB 3.33Å; V602-I614 PolarHBondContact O-N 3.2Å
603Y94.7Very high91.7Very high9 Ų929.2 Ų29.24%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-105.6123.1-179.8-56.1-82.9000109.4V593 A594 T601 K612 E613 I635 L642 M656 L658V593-Y603 CarbonylContact C-O 3.6Å; V593-Y603 VanDerWaalsContact CA-O 3.29Å; V593-Y603 WeakPolarHBondContact CA-O 3.43Å; A594-Y603 PolarHBondContact N-O 2.86Å; A594-Y603 PolarHBondContact O-N 3.45Å; T601-Y603 PolarHBondContact OG1-OH 3.48Å; T601-Y603 VanDerWaalsContact OG1-OH 3.05Å; Y603-K612 WeakPolarHBondContact CA-O 3.36Å; Y603-E613 HydrophobicContact CD1-CB 4.04Å; Y603-E613 HydrophobicContact CD1-CG 4.14Å; Y603-E613 HydrophobicContact CE1-CB 3.87Å; Y603-E613 HydrophobicContact CE1-CG 3.55Å; Y603-E613 PolarHBondContact OH-OE1 3.42Å; Y603-E613 VanDerWaalsContact OH-OE1 3.13Å; Y603-I635 HydrophobicContact CD2-CD1 4.27Å; Y603-I635 HydrophobicContact CE2-CD1 3.74Å; Y603-L642 HydrophobicContact CD1-CD1 3.5Å; Y603-L642 VanDerWaalsContact CD1-CD1 3.5Å; Y603-L642 HydrophobicContact CD2-CD1 4.09Å; Y603-L642 HydrophobicContact CE1-CD1 4.07Å; Y603-L642 HydrophobicContact CG-CD1 3.51Å; Y603-M656 HydrophobicContact CE1-CE 3.66Å; Y603-M656 HydrophobicContact CE2-CE 4.37Å; Y603-M656 VanDerWaalsContact CZ-CE 3.47Å; Y603-M656 WeakPolarHBondContact OH-CE 3.28Å; Y603-L658 HydrophobicContact CD1-CD1 3.98Å; Y603-L658 HydrophobicContact CE1-CD1 3.77Å; Y603-L658 HydrophobicContact CE1-CG 4.49Å
604A95.7Very high91.6Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-125.9143.2-175.600000111.9V569 Y590 K612 I614V569-A604 HydrophobicContact CG2-CB 3.95Å; Y590-A604 HydrophobicContact CD1-CB 3.8Å; Y590-A604 HydrophobicContact CE1-CB 3.72Å; A604-K612 PolarHBondContact N-O 3.28Å; A604-K612 PolarHBondContact O-N 2.98Å; A604-I614 HydrophobicContact CB-CD1 4.03Å
605V95.3Very high91.5Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-131.5150.4176.7-660000110.9Y590 T591 S592 L611 F630 V633Y590-V605 WeakPolarHBondContact CA-O 3.45Å; T591-V605 PolarHBondContact N-O 2.91Å; T591-V605 PolarHBondContact OG1-O 2.88Å; S592-V605 PolarHBondContact O-N 3.4Å; V605-L611 HydrophobicContact CG1-CB 4.35Å; V605-L611 HydrophobicContact CG1-CD1 3.7Å; V605-F630 HydrophobicContact CB-CB 3.79Å; V605-F630 HydrophobicContact CG1-CB 3.82Å; V605-F630 HydrophobicContact CG1-CD2 4.12Å; V605-F630 HydrophobicContact CG1-CG 4.28Å; V605-F630 HydrophobicContact CG2-CB 4.34Å; V605-V633 HydrophobicContact CG1-CB 4.08Å; V605-V633 HydrophobicContact CG1-CG1 4.36Å; V605-V633 HydrophobicContact CG2-CB 4.06Å; V605-V633 HydrophobicContact CG2-CG1 3.92Å
606G93.1Very high91.3Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-171.8-164.9-177.200000114.9S589 D608 K609 L629S589-G606 CarbonylContact O-C 3.58Å; S589-G606 WeakPolarHBondContact O-CA 3.27Å; G606-D608 PolarHBondContact O-N 3.25Å; G606-K609 PolarHBondContact O-N 2.87Å; G606-L629 WeakPolarHBondContact O-CD1 3.35Å
607S93.2Very high91.2Very high62 Ų6236.8 Ų36.843%0.43419%0.194SC..THydrogen-bonded Turntrans-60.7-16.1-168.562.70000116.8S589 K609S589-S607 PolarHBondContact N-OG 3.4Å; S589-S607 PolarHBondContact O-N 3.1Å; S607-K609 VanDerWaalsContact C-N 3.33Å
608D90.8Very high91.5Very high43 Ų4338.4 Ų38.423%0.2320%0.202CC..THydrogen-bonded Turntrans-88.64-17854.30.6000114C588 G606 T610 K612C588-D608 VanDerWaalsContact CB-OD2 3.26Å; C588-D608 WeakPolarHBondContact CB-OD2 3.09Å; C588-D608 PolarHBondContact SG-OD1 3.21Å; C588-D608 PolarHBondContact SG-OD2 3.17Å; G606-D608 PolarHBondContact O-N 3.25Å; D608-T610 VanDerWaalsContact C-N 3.28Å; D608-T610 PolarHBondContact O-N 3.07Å; D608-K612 VanDerWaalsContact CG-NZ 3.28Å; D608-K612 IonicContact OD1-NZ 2.74Å; D608-K612 PolarHBondContact OD1-NZ 2.86Å; D608-K612 IonicContact OD2-NZ 3.39Å; D608-K612 PolarHBondContact OD2-NZ 3.16Å
609K91.6Very high91.9Very high79 Ų7937 Ų3734%0.34319%0.193SC..SBendtrans58.635-179.9-47-173.9-178.7-170.30113.5G606 S607 S625 N626 L629G606-K609 PolarHBondContact O-N 2.87Å; S607-K609 VanDerWaalsContact C-N 3.33Å; K609-S625 PolarHBondContact O-N 2.83Å; K609-S625 PolarHBondContact O-OG 2.9Å; K609-N626 PolarHBondContact NZ-O 3.49Å; K609-N626 VanDerWaalsContact NZ-O 3.13Å; K609-L629 HydrophobicContact CG-CB 4.34Å; K609-L629 HydrophobicContact CG-CD1 4.08Å
610T92.5Very high92.3Very high9 Ų940.5 Ų40.56%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-121.6143.5171750000111.5D608 K612 E622 I623 Q624D608-T610 VanDerWaalsContact C-N 3.28Å; D608-T610 PolarHBondContact O-N 3.07Å; T610-K612 PolarHBondContact OG1-NZ 3.36Å; T610-E622 WeakPolarHBondContact CB-OE1 3.3Å; T610-E622 HydrophobicContact CG2-CG 3.92Å; T610-E622 WeakPolarHBondContact CG2-OE1 3.34Å; T610-E622 PolarHBondContact OG1-OE1 2.88Å; T610-I623 VanDerWaalsContact CA-O 3.31Å; T610-I623 WeakPolarHBondContact CA-O 3.28Å; T610-Q624 HydrophobicContact CG2-CB 4.17Å; T610-Q624 HydrophobicContact CG2-CG 4.21Å
611L93.7Very high92.4Very high0 Ų036.2 Ų36.20%019%0.192CC..EExtended strand (participates in β ladder)trans-91.6120.3164.8169.266.5000107.1V605 I623 F630 V633 L642 Y654 L658V605-L611 HydrophobicContact CG1-CB 4.35Å; V605-L611 HydrophobicContact CG1-CD1 3.7Å; L611-I623 HydrophobicContact CB-CB 4.37Å; L611-I623 HydrophobicContact CD2-CD1 4.2Å; L611-I623 PolarHBondContact N-O 3.12Å; L611-I623 PolarHBondContact O-N 3.28Å; L611-F630 HydrophobicContact CB-CD2 4.26Å; L611-F630 HydrophobicContact CB-CE2 4Å; L611-V633 HydrophobicContact CD1-CG2 4.21Å; L611-L642 HydrophobicContact CD1-CD1 4.45Å; L611-L642 HydrophobicContact CD1-CD2 4.26Å; L611-L642 HydrophobicContact CD2-CD1 4.37Å; L611-L642 HydrophobicContact CD2-CD2 3.59Å; L611-Y654 HydrophobicContact CD2-CD2 3.94Å; L611-Y654 HydrophobicContact CD2-CE2 3.93Å; L611-Y654 HydrophobicContact CD2-CG 4.45Å; L611-L658 HydrophobicContact CD2-CD1 4.24Å
612K93.7Very high92.4Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-109132179.7-63.8179.2-176.866.60110.6Y590 Y603 A604 D608 T610 I614 I619 H621 E622Y590-K612 HydrophobicContact CE1-CD 4.16Å; Y590-K612 WeakPolarHBondContact OH-CD 3.46Å; Y603-K612 WeakPolarHBondContact CA-O 3.36Å; A604-K612 PolarHBondContact N-O 3.28Å; A604-K612 PolarHBondContact O-N 2.98Å; D608-K612 VanDerWaalsContact CG-NZ 3.28Å; D608-K612 IonicContact OD1-NZ 2.74Å; D608-K612 PolarHBondContact OD1-NZ 2.86Å; D608-K612 IonicContact OD2-NZ 3.39Å; D608-K612 PolarHBondContact OD2-NZ 3.16Å; T610-K612 PolarHBondContact OG1-NZ 3.36Å; K612-I614 HydrophobicContact CB-CG1 4.39Å; K612-I619 HydrophobicContact CB-CG2 4.25Å; K612-I619 HydrophobicContact CD-CD1 3.85Å; K612-I619 HydrophobicContact CD-CG1 4.26Å; K612-I619 HydrophobicContact CG-CG2 4.36Å; K612-H621 WeakPolarHBondContact CA-O 3.46Å; K612-E622 WeakPolarHBondContact CE-OE1 3.45Å; K612-E622 HydrophobicContact CG-CG 4.22Å; K612-E622 IonicContact NZ-OE1 3.21Å; K612-E622 PolarHBondContact NZ-OE1 3.3Å
613E94.3Very high92.2Very high19 Ų1940.5 Ų40.59%0.08921%0.211CC..EExtended strand (participates in β ladder)trans-96.7121.9165.3-179.8167.5-165.700109.1Y603 I619 I620 H621 L658Y603-E613 HydrophobicContact CD1-CB 4.04Å; Y603-E613 HydrophobicContact CD1-CG 4.14Å; Y603-E613 HydrophobicContact CE1-CB 3.87Å; Y603-E613 HydrophobicContact CE1-CG 3.55Å; Y603-E613 PolarHBondContact OH-OE1 3.42Å; Y603-E613 VanDerWaalsContact OH-OE1 3.13Å; E613-I619 CarbonylContact O-C 3.51Å; E613-I619 WeakPolarHBondContact O-CA 3.38Å; E613-I620 HydrophobicContact CG-CB 4.46Å; E613-I620 HydrophobicContact CG-CD1 4.03Å; E613-I620 HydrophobicContact CG-CG1 4.42Å; E613-I620 PolarHBondContact O-N 2.79Å; E613-H621 HydrophobicContact CB-CB 4.34Å; E613-H621 PolarHBondContact N-O 2.92Å; E613-H621 IonicContact OE2-CD2 3.01Å; E613-L658 HydrophobicContact CB-CD1 4.23Å
614I94Very high91.8Very high4 Ų446.6 Ų46.62%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-117.6130.3-174.5-59.7164.5000109V569 N583 T601 V602 A604 K612 Q618 I619V569-I614 HydrophobicContact CB-CD1 4.39Å; V569-I614 HydrophobicContact CG2-CD1 4.13Å; N583-I614 HydrophobicContact CB-CD1 4.09Å; N583-I614 HydrophobicContact CB-CG2 4.01Å; T601-I614 WeakPolarHBondContact CA-O 3.38Å; V602-I614 HydrophobicContact CB-CB 4.34Å; V602-I614 PolarHBondContact N-O 3.28Å; V602-I614 WeakPolarHBondContact O-CB 3.33Å; V602-I614 PolarHBondContact O-N 3.2Å; A604-I614 HydrophobicContact CB-CD1 4.03Å; K612-I614 HydrophobicContact CB-CG1 4.39Å; I614-Q618 CarbonylContact C-O 3.55Å; I614-Q618 VanDerWaalsContact CA-O 3.26Å; I614-Q618 WeakPolarHBondContact CA-O 3.42Å; I614-I619 HydrophobicContact CG1-CG1 4.12Å
615S92.3Very high91.1Very high26 Ų2646.8 Ų46.818%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-141.5142170.567.10000109.8S617 Q618 I620S615-S617 PolarHBondContact O-N 3.39Å; S615-S617 VanDerWaalsContact O-N 3.14Å; S615-Q618 PolarHBondContact N-O 3.35Å; S615-Q618 PolarHBondContact O-N 2.9Å; S615-Q618 VanDerWaalsContact O-O 3.12Å; S615-I620 VanDerWaalsContact OG-CD1 3.23Å; S615-I620 WeakPolarHBondContact OG-CD1 3.22Å; S615-I620 VanDerWaalsContact OG-CG1 3.3Å; S615-I620 WeakPolarHBondContact OG-CG1 3.32Å
616D88.7Confident90Very high124 Ų12452 Ų5266%0.66327%0.269SS*.THydrogen-bonded Turntrans48.143.9177.3-62.9-25.2000112.7Q618D616-Q618 PolarHBondContact O-N 2.93Å; D616-Q618 VanDerWaalsContact O-N 3.12Å
617S88.9Confident89.4Confident38 Ų3857.6 Ų57.627%0.26630%0.299SS..THydrogen-bonded Turntrans65.7-3.8-175.9-54.70000116.9N581 E582 N583 S615N581-S617 WeakPolarHBondContact CA-OG 3.33Å; N581-S617 WeakPolarHBondContact CB-OG 3.37Å; N581-S617 PolarHBondContact OD1-OG 3.24Å; E582-S617 PolarHBondContact N-OG 3.38Å; E582-S617 VanDerWaalsContact N-OG 3.1Å; E582-S617 VanDerWaalsContact O-CB 3.31Å; E582-S617 WeakPolarHBondContact O-CB 3.43Å; N583-S617 PolarHBondContact ND2-O 2.99Å; S615-S617 PolarHBondContact O-N 3.39Å; S615-S617 VanDerWaalsContact O-N 3.14Å
618Q91.2Very high88.9Confident147 Ų14756.8 Ų56.869%0.68729%0.288SS*.EExtended strand (participates in β ladder)trans-100.9151.3179.1-60.4-173.410.700112.1I614 S615 D616I614-Q618 CarbonylContact C-O 3.55Å; I614-Q618 VanDerWaalsContact CA-O 3.26Å; I614-Q618 WeakPolarHBondContact CA-O 3.42Å; S615-Q618 PolarHBondContact N-O 3.35Å; S615-Q618 PolarHBondContact O-N 2.9Å; S615-Q618 VanDerWaalsContact O-O 3.12Å; D616-Q618 PolarHBondContact O-N 2.93Å; D616-Q618 VanDerWaalsContact O-N 3.12Å
619I91.1Very high88.9Confident56 Ų5656.7 Ų56.729%0.28729%0.287SS..EExtended strand (participates in β ladder)trans-87.2118172-61.1156.9000107.5L585 K612 E613 I614 H621 E622L585-I619 HydrophobicContact CD1-CD1 3.71Å; K612-I619 HydrophobicContact CB-CG2 4.25Å; K612-I619 HydrophobicContact CD-CD1 3.85Å; K612-I619 HydrophobicContact CD-CG1 4.26Å; K612-I619 HydrophobicContact CG-CG2 4.36Å; E613-I619 CarbonylContact O-C 3.51Å; E613-I619 WeakPolarHBondContact O-CA 3.38Å; I614-I619 HydrophobicContact CG1-CG1 4.12Å; I619-H621 WeakPolarHBondContact CG2-O 3.3Å; I619-E622 HydrophobicContact CG2-CB 4.27Å
620I91.5Very high89.1Confident81 Ų8153 Ų5342%0.41527%0.271SS..EExtended strand (participates in β ladder)trans-79.1-53.3176.9-45.4177.7000109.9E613 S615E613-I620 HydrophobicContact CG-CB 4.46Å; E613-I620 HydrophobicContact CG-CD1 4.03Å; E613-I620 HydrophobicContact CG-CG1 4.42Å; E613-I620 PolarHBondContact O-N 2.79Å; S615-I620 VanDerWaalsContact OG-CD1 3.23Å; S615-I620 WeakPolarHBondContact OG-CD1 3.22Å; S615-I620 VanDerWaalsContact OG-CG1 3.3Å; S615-I620 WeakPolarHBondContact OG-CG1 3.32Å
621H88.9Confident89.2Confident38 Ų3853.8 Ų53.818%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-130.2138.4-176.3-67.8-62.6000109.9K612 E613 I619 D660K612-H621 WeakPolarHBondContact CA-O 3.46Å; E613-H621 HydrophobicContact CB-CB 4.34Å; E613-H621 PolarHBondContact N-O 2.92Å; E613-H621 IonicContact OE2-CD2 3.01Å; I619-H621 WeakPolarHBondContact CG2-O 3.3Å; H621-D660 IonicContact CE1-OD1 3.46Å; H621-D660 PolarHBondContact CE1-OD1 2.78Å; H621-D660 IonicContact CG-OD1 3.9Å; H621-D660 IonicContact ND1-OD1 2.75Å; H621-D660 PolarHBondContact ND1-OD1 3.38Å
622E91Very high89.2Confident97 Ų9754 Ų5445%0.45328%0.278SS..EExtended strand (participates in β ladder)trans-126.4105173.7-179.1161.8-148.600109.6T610 K612 I619T610-E622 WeakPolarHBondContact CB-OE1 3.3Å; T610-E622 HydrophobicContact CG2-CG 3.92Å; T610-E622 WeakPolarHBondContact CG2-OE1 3.34Å; T610-E622 PolarHBondContact OG1-OE1 2.88Å; K612-E622 WeakPolarHBondContact CE-OE1 3.45Å; K612-E622 HydrophobicContact CG-CG 4.22Å; K612-E622 IonicContact NZ-OE1 3.21Å; K612-E622 PolarHBondContact NZ-OE1 3.3Å; I619-E622 HydrophobicContact CG2-CB 4.27Å
623I90.6Very high89.4Confident19 Ų1954.2 Ų54.210%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-98.3110.6-176.5-61.9159.4000108.8T610 L611 Y654 L658 S662T610-I623 VanDerWaalsContact CA-O 3.31Å; T610-I623 WeakPolarHBondContact CA-O 3.28Å; L611-I623 HydrophobicContact CB-CB 4.37Å; L611-I623 HydrophobicContact CD2-CD1 4.2Å; L611-I623 PolarHBondContact N-O 3.12Å; L611-I623 PolarHBondContact O-N 3.28Å; I623-Y654 HydrophobicContact CD1-CE1 4.43Å; I623-Y654 HydrophobicContact CG2-CE1 3.85Å; I623-L658 HydrophobicContact CD1-CB 4.23Å; I623-L658 HydrophobicContact CD1-CD1 3.87Å; I623-L658 HydrophobicContact CD1-CD2 3.85Å; I623-L658 HydrophobicContact CD1-CG 4.19Å; I623-S662 WeakPolarHBondContact CD1-OG 3.23Å
624Q86.4Confident89.4Confident137 Ų13754.3 Ų54.364%0.6428%0.281SS*.EExtended strand (participates in β ladder)trans-83.7125.9-178.3-172.2176.73.900112.6T610 N626T610-Q624 HydrophobicContact CG2-CB 4.17Å; T610-Q624 HydrophobicContact CG2-CG 4.21Å; Q624-N626 WeakPolarHBondContact CG-OD1 3.09Å; Q624-N626 PolarHBondContact NE2-OD1 2.79Å
625S80Confident89.3Confident3 Ų355 Ų552%0.02128%0.284CS..  trans-99.788.2169.656.90000110.8K609 D627 Q628 F630K609-S625 PolarHBondContact O-N 2.83Å; K609-S625 PolarHBondContact O-OG 2.9Å; S625-D627 PolarHBondContact O-N 2.76Å; S625-D627 VanDerWaalsContact O-N 3.1Å; S625-Q628 PolarHBondContact O-N 3.46Å; S625-Q628 VanDerWaalsContact O-O 3.06Å; S625-Q628 PolarHBondContact OG-O 2.84Å; S625-F630 VanDerWaalsContact CB-CZ 3.49Å; S625-F630 VanDerWaalsContact OG-CE2 3.25Å; S625-F630 WeakPolarHBondContact OG-CE2 3.46Å; S625-F630 WeakPolarHBondContact OG-CZ 3.18Å
626N72.8Confident89.1Confident111 Ų11153.8 Ų53.859%0.59428%0.276SS*.SBendtrans-47.7-44.5-177.9-65.6-18.1000113.3K609 Q624K609-N626 PolarHBondContact NZ-O 3.49Å; K609-N626 VanDerWaalsContact NZ-O 3.13Å; Q624-N626 WeakPolarHBondContact CG-OD1 3.09Å; Q624-N626 PolarHBondContact NE2-OD1 2.79Å
627D80.8Confident88.8Confident116 Ų11651.5 Ų51.562%0.6226%0.258SS*.SBendtrans-88.5-29.4-167.2-57.9-12000113.7S625S625-D627 PolarHBondContact O-N 2.76Å; S625-D627 VanDerWaalsContact O-N 3.1Å
628Q81.7Confident88.3Confident45 Ų4551.9 Ų51.921%0.2126%0.261CS..  trans-132148.3-167.2-66.4-59.9-26.700112.5S625 C646 N648S625-Q628 PolarHBondContact O-N 3.46Å; S625-Q628 VanDerWaalsContact O-O 3.06Å; S625-Q628 PolarHBondContact OG-O 2.84Å; Q628-C646 HydrophobicContact CB-CB 4.38Å; Q628-N648 PolarHBondContact NE2-ND2 3.33Å; Q628-N648 PolarHBondContact OE1-OD1 3.38Å
629L92Very high88Confident41 Ų4146.9 Ų46.922%0.21524%0.242CC..  trans-92.4128.3170.9175.169.5000109.5G606 K609 C646 Q647G606-L629 WeakPolarHBondContact O-CD1 3.35Å; K609-L629 HydrophobicContact CG-CB 4.34Å; K609-L629 HydrophobicContact CG-CD1 4.08Å; L629-C646 CarbonylContact O-C 3.57Å; L629-C646 WeakPolarHBondContact O-CA 3.22Å; L629-Q647 HydrophobicContact CB-CB 4.11Å; L629-Q647 PolarHBondContact O-N 3.35Å
630F94.5Very high87.6Confident1 Ų150.6 Ų50.60%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-80.2129171.7-61.9-46.7000110.9V605 L611 S625 C644 G645 R652 Y654V605-F630 HydrophobicContact CB-CB 3.79Å; V605-F630 HydrophobicContact CG1-CB 3.82Å; V605-F630 HydrophobicContact CG1-CD2 4.12Å; V605-F630 HydrophobicContact CG1-CG 4.28Å; V605-F630 HydrophobicContact CG2-CB 4.34Å; L611-F630 HydrophobicContact CB-CD2 4.26Å; L611-F630 HydrophobicContact CB-CE2 4Å; S625-F630 VanDerWaalsContact CB-CZ 3.49Å; S625-F630 VanDerWaalsContact OG-CE2 3.25Å; S625-F630 WeakPolarHBondContact OG-CE2 3.46Å; S625-F630 WeakPolarHBondContact OG-CZ 3.18Å; F630-C644 HydrophobicContact CD1-CB 3.47Å; F630-C644 VanDerWaalsContact CD1-CB 3.47Å; F630-C644 HydrophobicContact CE1-CB 3.66Å; F630-C644 HydrophobicContact CG-CB 3.98Å; F630-C644 HydrophobicContact CZ-CB 4.29Å; F630-G645 CarbonylContact C-O 3.54Å; F630-G645 WeakPolarHBondContact CA-O 3.24Å; F630-R652 HydrophobicContact CE1-CB 4.24Å; F630-Y654 HydrophobicContact CZ-CE2 4.24Å; F630-Y654 WeakPolarHBondContact CZ-OH 3.32Å
631T94.3Very high87.4Confident26 Ų2647 Ų4716%0.1623%0.234CC..EExtended strand (participates in β ladder)trans-100.1-41.8-179.755.70000112T591 G645 Q647 N673 I674T591-T631 WeakPolarHBondContact CB-O 3.46Å; T591-T631 PolarHBondContact OG1-O 3.09Å; T631-G645 PolarHBondContact N-O 2.84Å; T631-G645 PolarHBondContact OG1-O 2.94Å; T631-Q647 HydrophobicContact CG2-CB 4.29Å; T631-N673 HydrophobicContact CG2-CB 4.43Å; T631-I674 VanDerWaalsContact CB-O 3.3Å; T631-I674 WeakPolarHBondContact CB-O 3.29Å; T631-I674 PolarHBondContact OG1-O 2.94Å
632T95.7Very high87.5Confident5 Ų545.2 Ų45.23%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-138.7151.6-176.3-177.70000111.6S592 C644 G645 I674 M677S592-T632 PolarHBondContact OG-OG1 3.3Å; T632-C644 CarbonylContact O-C 3.54Å; T632-C644 WeakPolarHBondContact O-CA 3.17Å; T632-G645 PolarHBondContact O-N 3.22Å; T632-I674 HydrophobicContact CG2-CB 4.12Å; T632-I674 HydrophobicContact CG2-CG2 3.65Å; T632-M677 HydrophobicContact CG2-CB 3.81Å; T632-M677 HydrophobicContact CG2-CE 4.15Å
633V95.9Very high87.7Confident5 Ų540.6 Ų40.63%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-133.1142.4176.161.30000110.3S592 A594 V605 L611 L642 F643S592-V633 PolarHBondContact OG-N 2.91Å; S592-V633 VanDerWaalsContact OG-N 3.17Å; A594-V633 HydrophobicContact CB-CG1 3.94Å; A594-V633 HydrophobicContact CB-CG2 4.22Å; V605-V633 HydrophobicContact CG1-CB 4.08Å; V605-V633 HydrophobicContact CG1-CG1 4.36Å; V605-V633 HydrophobicContact CG2-CB 4.06Å; V605-V633 HydrophobicContact CG2-CG1 3.92Å; L611-V633 HydrophobicContact CD1-CG2 4.21Å; V633-L642 HydrophobicContact CG2-CD1 4.23Å; V633-L642 HydrophobicContact CG2-CD2 3.89Å; V633-L642 HydrophobicContact CG2-CG 4.01Å; V633-F643 CarbonylContact C-O 3.56Å; V633-F643 WeakPolarHBondContact CA-O 3.34Å
634T94.4Very high87.9Confident21 Ų2139.7 Ų39.713%0.12920%0.199CC..EExtended strand (participates in β ladder)trans-142155.4168.9-152.10000110.1F643 M677 M679 L686T634-F643 HydrophobicContact CG2-CB 4.23Å; T634-F643 HydrophobicContact CG2-CD2 4.3Å; T634-F643 PolarHBondContact N-O 3.49Å; T634-F643 PolarHBondContact O-N 2.84Å; T634-M677 HydrophobicContact CG2-CE 4.04Å; T634-M677 HydrophobicContact CG2-CG 3.84Å; T634-M677 HydrophobicContact CG2-SD 4.32Å; T634-M679 HydrophobicContact CG2-CG 4.01Å; T634-M679 HydrophobicContact CG2-SD 4Å; T634-L686 HydrophobicContact CG2-CD1 3.73Å
635I92.2Very high88.2Confident17 Ų1733.2 Ų33.29%0.08717%0.169CC..EExtended strand (participates in β ladder)trans-120.5148.4176.1-164.7174000109V595 Y603 M641 L642 M656 M679V595-I635 VanDerWaalsContact O-CG2 3.26Å; V595-I635 WeakPolarHBondContact O-CG2 3.21Å; Y603-I635 HydrophobicContact CD2-CD1 4.27Å; Y603-I635 HydrophobicContact CE2-CD1 3.74Å; I635-M641 WeakPolarHBondContact CG1-O 3.09Å; I635-L642 HydrophobicContact CG1-CB 4.45Å; I635-M656 HydrophobicContact CD1-CE 4.36Å; I635-M679 WeakPolarHBondContact O-CG 3.34Å
636S89.1Confident88.8Confident2 Ų233 Ų331%0.01417%0.168CC..  trans-66.8145.2168.2720000110S638 S639 R640 M641 D683S636-S638 PolarHBondContact O-N 3.48Å; S636-S638 PolarHBondContact OG-OG 3.02Å; S636-S639 WeakPolarHBondContact O-CA 3.4Å; S636-S639 PolarHBondContact O-N 3.22Å; S636-S639 PolarHBondContact OG-N 2.94Å; S636-R640 PolarHBondContact OG-N 3.48Å; S636-M641 PolarHBondContact N-O 3.43Å; S636-M641 PolarHBondContact OG-N 3.35Å; S636-M641 PolarHBondContact OG-O 3.4Å; S636-D683 WeakPolarHBondContact CB-OD2 3.41Å
637R81.2Confident89.7Confident76 Ų7632.1 Ų32.129%0.28716%0.16SC..THydrogen-bonded Turntrans-58.6-35172.3-61.3177-176.4165.15.7111S639 D683R637-S639 PolarHBondContact O-N 2.9Å; R637-S639 PolarHBondContact O-OG 3.41Å; R637-D683 WeakPolarHBondContact CA-OD2 3.47Å; R637-D683 WeakPolarHBondContact CB-OD2 3.33Å; R637-D683 PolarHBondContact N-OD1 3.29Å; R637-D683 PolarHBondContact N-OD2 2.87Å
638S79.4Confident90Very high45 Ų4528.3 Ų28.332%0.31514%0.14SC..THydrogen-bonded Turntrans-58-14.2170.674.90000113.7S636 R640 D683 E702S636-S638 PolarHBondContact O-N 3.48Å; S636-S638 PolarHBondContact OG-OG 3.02Å; S638-R640 PolarHBondContact O-N 3.39Å; S638-D683 PolarHBondContact N-OD2 3Å; S638-E702 PolarHBondContact OG-OE1 3.41Å
639S83.7Confident90.3Very high42 Ų4226.2 Ų26.229%0.29413%0.13SC..SBendtrans54.828.5-176.8-57.30000113.1S636 R637 M656S636-S639 WeakPolarHBondContact O-CA 3.4Å; S636-S639 PolarHBondContact O-N 3.22Å; S636-S639 PolarHBondContact OG-N 2.94Å; R637-S639 PolarHBondContact O-N 2.9Å; R637-S639 PolarHBondContact O-OG 3.41Å; S639-M656 WeakPolarHBondContact O-CB 3.35Å
640R82.7Confident90.3Very high135 Ų13524.8 Ų24.851%0.50912%0.122SC..SBendtrans-101.9-24.2-179.4-71.1171.1-179.3-174.31.1113.5S636 S638 M656 E702S636-R640 PolarHBondContact OG-N 3.48Å; S638-R640 PolarHBondContact O-N 3.39Å; R640-M656 WeakPolarHBondContact O-CB 3.46Å; R640-M656 PolarHBondContact O-N 2.72Å; R640-E702 WeakPolarHBondContact CD-OE1 3.33Å; R640-E702 WeakPolarHBondContact CD-OE2 3.48Å; R640-E702 IonicContact CZ-OE2 3.57Å; R640-E702 IonicContact NE-OE2 3.52Å; R640-E702 IonicContact NH1-OE2 3.46Å; R640-E702 PolarHBondContact NH1-OE2 3.15Å
641M87.7Confident90.3Very high5 Ų524.8 Ų24.83%0.02512%0.122CC..EExtended strand (participates in β ladder)trans-134.8138-176.6-63.4-64.4-58.500110A3 I635 S636 F643A3-M641 HydrophobicContact CB-CE 4.05Å; A3-M641 HydrophobicContact CB-CG 3.7Å; A3-M641 HydrophobicContact CB-SD 3.71Å; I635-M641 WeakPolarHBondContact CG1-O 3.09Å; S636-M641 PolarHBondContact N-O 3.43Å; S636-M641 PolarHBondContact OG-N 3.35Å; S636-M641 PolarHBondContact OG-O 3.4Å; M641-F643 HydrophobicContact CB-CE2 3.88Å; M641-F643 HydrophobicContact CB-CZ 4.07Å; M641-F643 HydrophobicContact CE-CZ 4.43Å
642L92.1Very high90.1Very high0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-120.7134.2171.3178.3155.3000108.3Y603 L611 V633 I635 C644 S653 Y654 M656Y603-L642 HydrophobicContact CD1-CD1 3.5Å; Y603-L642 VanDerWaalsContact CD1-CD1 3.5Å; Y603-L642 HydrophobicContact CD2-CD1 4.09Å; Y603-L642 HydrophobicContact CE1-CD1 4.07Å; Y603-L642 HydrophobicContact CG-CD1 3.51Å; L611-L642 HydrophobicContact CD1-CD1 4.45Å; L611-L642 HydrophobicContact CD1-CD2 4.26Å; L611-L642 HydrophobicContact CD2-CD1 4.37Å; L611-L642 HydrophobicContact CD2-CD2 3.59Å; V633-L642 HydrophobicContact CG2-CD1 4.23Å; V633-L642 HydrophobicContact CG2-CD2 3.89Å; V633-L642 HydrophobicContact CG2-CG 4.01Å; I635-L642 HydrophobicContact CG1-CB 4.45Å; L642-C644 VanDerWaalsContact CD2-SG 3.56Å; L642-S653 CarbonylContact O-C 3.54Å; L642-S653 WeakPolarHBondContact O-CA 3.32Å; L642-Y654 HydrophobicContact CD2-CD2 3.89Å; L642-Y654 PolarHBondContact N-O 3.48Å; L642-Y654 PolarHBondContact O-N 2.8Å; L642-M656 HydrophobicContact CB-CG 4.21Å; L642-M656 HydrophobicContact CB-SD 3.66Å; L642-M656 HydrophobicContact CD1-SD 4.2Å
643F94.1Very high90Very high1 Ų123.9 Ų23.90%0.00412%0.116CC..EExtended strand (participates in β ladder)trans-116.3134.1178.5-58.3-87.8000109.7V633 T634 M641 I651 R652 M677 M679 L686 I700V633-F643 CarbonylContact C-O 3.56Å; V633-F643 WeakPolarHBondContact CA-O 3.34Å; T634-F643 HydrophobicContact CG2-CB 4.23Å; T634-F643 HydrophobicContact CG2-CD2 4.3Å; T634-F643 PolarHBondContact N-O 3.49Å; T634-F643 PolarHBondContact O-N 2.84Å; M641-F643 HydrophobicContact CB-CE2 3.88Å; M641-F643 HydrophobicContact CB-CZ 4.07Å; M641-F643 HydrophobicContact CE-CZ 4.43Å; F643-I651 HydrophobicContact CB-CG2 4.09Å; F643-I651 HydrophobicContact CD1-CG2 3.99Å; F643-I651 HydrophobicContact CG-CG2 4.48Å; F643-R652 CarbonylContact C-O 3.53Å; F643-R652 WeakPolarHBondContact CA-O 3.23Å; F643-M677 VanDerWaalsContact C-CE 3.49Å; F643-M677 HydrophobicContact CB-CE 3.81Å; F643-M677 HydrophobicContact CB-SD 4.02Å; F643-M677 WeakPolarHBondContact O-CE 3.44Å; F643-M679 HydrophobicContact CD2-SD 4.15Å; F643-M679 HydrophobicContact CE2-CE 4.46Å; F643-M679 HydrophobicContact CE2-SD 4.08Å; F643-L686 HydrophobicContact CB-CD2 4.33Å; F643-L686 HydrophobicContact CD1-CD2 3.92Å; F643-L686 HydrophobicContact CD2-CD2 4.21Å; F643-L686 HydrophobicContact CE1-CD2 4.26Å; F643-L686 HydrophobicContact CG-CD2 3.9Å; F643-I700 HydrophobicContact CE1-CD1 4.4Å; F643-I700 HydrophobicContact CE2-CD1 3.61Å; F643-I700 HydrophobicContact CZ-CD1 3.48Å; F643-I700 VanDerWaalsContact CZ-CD1 3.48Å; F643-I700 HydrophobicContact CZ-CG1 4.11Å
644C94.6Very high89.7Confident0 Ų023.8 Ų23.80%012%0.115CC..EExtended strand (participates in β ladder)trans-114.3128.7170.7-660000109.6F630 T632 L642 I651 R652F630-C644 HydrophobicContact CD1-CB 3.47Å; F630-C644 VanDerWaalsContact CD1-CB 3.47Å; F630-C644 HydrophobicContact CE1-CB 3.66Å; F630-C644 HydrophobicContact CG-CB 3.98Å; F630-C644 HydrophobicContact CZ-CB 4.29Å; T632-C644 CarbonylContact O-C 3.54Å; T632-C644 WeakPolarHBondContact O-CA 3.17Å; L642-C644 VanDerWaalsContact CD2-SG 3.56Å; C644-I651 WeakPolarHBondContact O-CA 3.48Å; C644-R652 PolarHBondContact N-O 3.02Å; C644-R652 PolarHBondContact O-N 3.15Å
645G93.8Very high89.3Confident0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-83.7137.6168.600000110.7F630 T631 T632F630-G645 CarbonylContact C-O 3.54Å; F630-G645 WeakPolarHBondContact CA-O 3.24Å; T631-G645 PolarHBondContact N-O 2.84Å; T631-G645 PolarHBondContact OG1-O 2.94Å; T632-G645 PolarHBondContact O-N 3.22Å
646C92Very high88.9Confident0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-101.7158.4-179-65.90000112.3Q628 L629 N648 G649 L650Q628-C646 HydrophobicContact CB-CB 4.38Å; L629-C646 CarbonylContact O-C 3.57Å; L629-C646 WeakPolarHBondContact O-CA 3.22Å; C646-N648 WeakPolarHBondContact CB-OD1 3.5Å; C646-N648 PolarHBondContact O-N 2.96Å; C646-G649 PolarHBondContact O-N 3Å; C646-G649 VanDerWaalsContact O-N 3.13Å; C646-L650 HydrophobicContact CB-CB 4.12Å; C646-L650 WeakPolarHBondContact CB-O 3.38Å; C646-L650 PolarHBondContact N-O 2.87Å
647Q91.2Very high88.6Confident92 Ų9232.7 Ų32.743%0.4316%0.164SC..THydrogen-bonded Turntrans-58.2-33.7174.3-167.1-174.7-19.500112.7L629 T631 G649 D672 N673L629-Q647 HydrophobicContact CB-CB 4.11Å; L629-Q647 PolarHBondContact O-N 3.35Å; T631-Q647 HydrophobicContact CG2-CB 4.29Å; Q647-G649 VanDerWaalsContact C-N 3.3Å; Q647-G649 PolarHBondContact O-N 3.11Å; Q647-D672 CarbonylContact O-C 3.54Å; Q647-N673 WeakPolarHBondContact CG-OD1 3.16Å; Q647-N673 VanDerWaalsContact O-CA 3.29Å; Q647-N673 WeakPolarHBondContact O-CA 3.41Å; Q647-N673 PolarHBondContact O-N 3.43Å; Q647-N673 PolarHBondContact O-OD1 2.75Å
648N87.1Confident88.8Confident36 Ų3629.5 Ų29.519%0.19315%0.153CC..THydrogen-bonded Turntrans-85.48.1178.672.5-25.8000114.8Q628 C646 L650Q628-N648 PolarHBondContact NE2-ND2 3.33Å; Q628-N648 PolarHBondContact OE1-OD1 3.38Å; C646-N648 WeakPolarHBondContact CB-OD1 3.5Å; C646-N648 PolarHBondContact O-N 2.96Å; N648-L650 WeakPolarHBondContact ND2-CD1 3.36Å; N648-L650 WeakPolarHBondContact ND2-CG 3.3Å; N648-L650 WeakPolarHBondContact OD1-CB 3.4Å; N648-L650 WeakPolarHBondContact OD1-CG 3.29Å; N648-L650 PolarHBondContact OD1-N 3.39Å
649G89.6Confident88.9Confident0 Ų030.9 Ų30.90%016%0.159CC..SBendtrans852.1179.800000116.2C646 Q647 H670 D672C646-G649 PolarHBondContact O-N 3Å; C646-G649 VanDerWaalsContact O-N 3.13Å; Q647-G649 VanDerWaalsContact C-N 3.3Å; Q647-G649 PolarHBondContact O-N 3.11Å; G649-H670 PolarHBondContact O-N 3.2Å; G649-H670 VanDerWaalsContact O-N 3.1Å; G649-D672 VanDerWaalsContact CA-O 3.28Å; G649-D672 WeakPolarHBondContact CA-O 3.4Å; G649-D672 PolarHBondContact N-O 3.38Å
650L91.8Very high88.4Confident11 Ų1134.5 Ų34.56%0.05818%0.175CC..EExtended strand (participates in β ladder)trans-72.5151.3168.8-64.8177.3000111.6C646 N648 I668 I674C646-L650 HydrophobicContact CB-CB 4.12Å; C646-L650 WeakPolarHBondContact CB-O 3.38Å; C646-L650 PolarHBondContact N-O 2.87Å; N648-L650 WeakPolarHBondContact ND2-CD1 3.36Å; N648-L650 WeakPolarHBondContact ND2-CG 3.3Å; N648-L650 WeakPolarHBondContact OD1-CB 3.4Å; N648-L650 WeakPolarHBondContact OD1-CG 3.29Å; N648-L650 PolarHBondContact OD1-N 3.39Å; L650-I668 HydrophobicContact CD2-CB 4.33Å; L650-I668 HydrophobicContact CD2-CG1 3.86Å; L650-I674 WeakPolarHBondContact O-CD1 3.25Å
651I93.2Very high88.1Confident1 Ų136.1 Ų36.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-110.5123.8165.5-56.5171.8000108.2F643 C644 D666 Y667 I674 M677 L686 T688 W698F643-I651 HydrophobicContact CB-CG2 4.09Å; F643-I651 HydrophobicContact CD1-CG2 3.99Å; F643-I651 HydrophobicContact CG-CG2 4.48Å; C644-I651 WeakPolarHBondContact O-CA 3.48Å; I651-D666 CarbonylContact O-C 3.5Å; I651-D666 WeakPolarHBondContact O-CA 3.38Å; I651-Y667 PolarHBondContact N-O 3.49Å; I651-Y667 PolarHBondContact O-N 2.82Å; I651-I674 HydrophobicContact CD1-CD1 4.47Å; I651-I674 HydrophobicContact CG1-CD1 3.59Å; I651-M677 HydrophobicContact CG2-SD 4.3Å; I651-L686 HydrophobicContact CD1-CD2 4.26Å; I651-L686 HydrophobicContact CG2-CD2 4.34Å; I651-T688 HydrophobicContact CD1-CG2 3.49Å; I651-T688 VanDerWaalsContact CD1-CG2 3.49Å; I651-T688 HydrophobicContact CG1-CG2 4.21Å; I651-W698 HydrophobicContact CD1-CD2 4.14Å; I651-W698 HydrophobicContact CD1-CH2 4.28Å; I651-W698 HydrophobicContact CD1-CZ2 3.38Å; I651-W698 HydrophobicContact CG1-CZ2 4.31Å
652R91.6Very high87.6Confident11 Ų1136.5 Ų36.54%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-103.2118.8176.1-177.6163.2-67.5177.2-4.5110.1F630 F643 C644 Y654 Y664 D666F630-R652 HydrophobicContact CE1-CB 4.24Å; F643-R652 CarbonylContact C-O 3.53Å; F643-R652 WeakPolarHBondContact CA-O 3.23Å; C644-R652 PolarHBondContact N-O 3.02Å; C644-R652 PolarHBondContact O-N 3.15Å; R652-Y654 WeakPolarHBondContact CD-OH 3.22Å; R652-Y654 HydrophobicContact CG-CD2 4.39Å; R652-Y654 HydrophobicContact CG-CE2 3.72Å; R652-Y664 HydrophobicContact CG-CD2 3.86Å; R652-Y664 HydrophobicContact CG-CG 4.04Å; R652-Y664 VanDerWaalsContact CZ-CE2 3.46Å; R652-Y664 VanDerWaalsContact NE-CD2 3.29Å; R652-D666 WeakPolarHBondContact CB-OD1 3.37Å; R652-D666 VanDerWaalsContact CG-OD1 3.26Å; R652-D666 WeakPolarHBondContact CG-OD1 3.5Å; R652-D666 IonicContact CZ-OD1 3.71Å; R652-D666 IonicContact CZ-OD2 3.56Å; R652-D666 IonicContact NE-OD1 3.14Å; R652-D666 PolarHBondContact NE-OD1 3.14Å; R652-D666 IonicContact NE-OD2 3.34Å; R652-D666 IonicContact NH2-OD1 2.78Å; R652-D666 PolarHBondContact NH2-OD1 2.88Å; R652-D666 IonicContact NH2-OD2 3.74Å; R652-D666 PolarHBondContact NH2-OD2 3.28Å
653S91.7Very high87Confident2 Ų243.5 Ų43.51%0.01423%0.229CC..EExtended strand (participates in β ladder)trans-98.1138.2174.776.10000112.1L642 Y664 Q665 Y667L642-S653 CarbonylContact O-C 3.54Å; L642-S653 WeakPolarHBondContact O-CA 3.32Å; S653-Y664 VanDerWaalsContact O-CA 3.24Å; S653-Y664 WeakPolarHBondContact O-CA 3.35Å; S653-Q665 PolarHBondContact N-O 2.86Å; S653-Q665 PolarHBondContact O-N 3.25Å; S653-Q665 PolarHBondContact OG-O 3.44Å; S653-Y667 WeakPolarHBondContact OG-CE2 3.48Å
654Y90.4Very high86.7Confident2 Ų249.4 Ų49.41%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-112.9140.7170.4-66.7-88.1000109.8L611 I623 F630 L642 R652 L658 S662L611-Y654 HydrophobicContact CD2-CD2 3.94Å; L611-Y654 HydrophobicContact CD2-CE2 3.93Å; L611-Y654 HydrophobicContact CD2-CG 4.45Å; I623-Y654 HydrophobicContact CD1-CE1 4.43Å; I623-Y654 HydrophobicContact CG2-CE1 3.85Å; F630-Y654 HydrophobicContact CZ-CE2 4.24Å; F630-Y654 WeakPolarHBondContact CZ-OH 3.32Å; L642-Y654 HydrophobicContact CD2-CD2 3.89Å; L642-Y654 PolarHBondContact N-O 3.48Å; L642-Y654 PolarHBondContact O-N 2.8Å; R652-Y654 WeakPolarHBondContact CD-OH 3.22Å; R652-Y654 HydrophobicContact CG-CD2 4.39Å; R652-Y654 HydrophobicContact CG-CE2 3.72Å; Y654-L658 HydrophobicContact CD1-CD2 4.43Å; Y654-L658 HydrophobicContact CG-CD2 4.28Å; Y654-S662 WeakPolarHBondContact CD1-OG 3.43Å; Y654-S662 WeakPolarHBondContact CE1-OG 3.42Å
655Q86.7Confident86.4Confident99 Ų9953 Ų5346%0.46327%0.269SS..EExtended strand (participates in β ladder)trans-83.9133.4170.2-168-170.9-49.600109.2
656M82.6Confident86.2Confident19 Ų1954.9 Ų54.99%0.09428%0.279CS..SBendtrans-92.7152.8178.3-58.9-59.2-68.300111.8Y603 I635 S639 R640 L642 L658Y603-M656 HydrophobicContact CE1-CE 3.66Å; Y603-M656 HydrophobicContact CE2-CE 4.37Å; Y603-M656 VanDerWaalsContact CZ-CE 3.47Å; Y603-M656 WeakPolarHBondContact OH-CE 3.28Å; I635-M656 HydrophobicContact CD1-CE 4.36Å; S639-M656 WeakPolarHBondContact O-CB 3.35Å; R640-M656 WeakPolarHBondContact O-CB 3.46Å; R640-M656 PolarHBondContact O-N 2.72Å; L642-M656 HydrophobicContact CB-CG 4.21Å; L642-M656 HydrophobicContact CB-SD 3.66Å; L642-M656 HydrophobicContact CD1-SD 4.2Å; M656-L658 HydrophobicContact CE-CD1 4.46Å; M656-L658 HydrophobicContact CE-CG 3.87Å; M656-L658 HydrophobicContact SD-CD1 4.49Å; M656-L658 HydrophobicContact SD-CD2 3.65Å; M656-L658 HydrophobicContact SD-CG 3.68Å
657P83.5Confident86.1Confident110 Ų11055.7 Ų55.771%0.71428%0.282SS*.SBendcis-66.9155.2-7.630.5-36.3000112.3
658L84.7Confident86.1Confident8 Ų852.7 Ų52.74%0.04227%0.269CS..PPolyproline II helixtrans-66.8159.7176.8-63.4177.8000111.2Y603 L611 E613 I623 Y654 M656Y603-L658 HydrophobicContact CD1-CD1 3.98Å; Y603-L658 HydrophobicContact CE1-CD1 3.77Å; Y603-L658 HydrophobicContact CE1-CG 4.49Å; L611-L658 HydrophobicContact CD2-CD1 4.24Å; E613-L658 HydrophobicContact CB-CD1 4.23Å; I623-L658 HydrophobicContact CD1-CB 4.23Å; I623-L658 HydrophobicContact CD1-CD1 3.87Å; I623-L658 HydrophobicContact CD1-CD2 3.85Å; I623-L658 HydrophobicContact CD1-CG 4.19Å; Y654-L658 HydrophobicContact CD1-CD2 4.43Å; Y654-L658 HydrophobicContact CG-CD2 4.28Å; M656-L658 HydrophobicContact CE-CD1 4.46Å; M656-L658 HydrophobicContact CE-CG 3.87Å; M656-L658 HydrophobicContact SD-CD1 4.49Å; M656-L658 HydrophobicContact SD-CD2 3.65Å; M656-L658 HydrophobicContact SD-CG 3.68Å
659T83.2Confident86.2Confident74 Ų7451 Ų5145%0.45426%0.26SS..  trans-148.6158.2174.6530000108.1H661 S662T659-H661 PolarHBondContact O-N 2.84Å; T659-S662 WeakPolarHBondContact O-CB 3.49Å; T659-S662 PolarHBondContact O-N 3.24Å; T659-S662 PolarHBondContact OG1-N 2.82Å
660D73.2Confident86.4Confident118 Ų11851 Ų5163%0.63126%0.26SS*.THydrogen-bonded Turntrans-60-13.6178.9-54.4-44.6000113.8H621H621-D660 IonicContact CE1-OD1 3.46Å; H621-D660 PolarHBondContact CE1-OD1 2.78Å; H621-D660 IonicContact CG-OD1 3.9Å; H621-D660 IonicContact ND1-OD1 2.75Å; H621-D660 PolarHBondContact ND1-OD1 3.38Å
661H74.8Confident86.3Confident169 Ų16951.8 Ų51.878%0.78227%0.266SS*.THydrogen-bonded Turntrans-123.833.7176.8-56.9-25.3000111.6T659 N663T659-H661 PolarHBondContact O-N 2.84Å; H661-N663 PolarHBondContact O-N 3.25Å; H661-N663 VanDerWaalsContact O-N 3.12Å
662S77Confident86.2Confident14 Ų1454.5 Ų54.510%0.09828%0.28CS..  trans-56.9116.2-179.462.10000111.4I623 Y654 T659I623-S662 WeakPolarHBondContact CD1-OG 3.23Å; Y654-S662 WeakPolarHBondContact CD1-OG 3.43Å; Y654-S662 WeakPolarHBondContact CE1-OG 3.42Å; T659-S662 WeakPolarHBondContact O-CB 3.49Å; T659-S662 PolarHBondContact O-N 3.24Å; T659-S662 PolarHBondContact OG1-N 2.82Å
663N81.1Confident86.3Confident147 Ų14756.1 Ų56.179%0.78629%0.29SS*.  trans-64.1136.4170.7-69.1-44.5000109.8H661H661-N663 PolarHBondContact O-N 3.25Å; H661-N663 VanDerWaalsContact O-N 3.12Å
664Y86.2Confident86.5Confident124 Ų12456.1 Ų56.149%0.48629%0.29SS..EExtended strand (participates in β ladder)trans-117.8161.1175.566.6-92.2000111.4R652 S653 D666R652-Y664 HydrophobicContact CG-CD2 3.86Å; R652-Y664 HydrophobicContact CG-CG 4.04Å; R652-Y664 VanDerWaalsContact CZ-CE2 3.46Å; R652-Y664 VanDerWaalsContact NE-CD2 3.29Å; S653-Y664 VanDerWaalsContact O-CA 3.24Å; S653-Y664 WeakPolarHBondContact O-CA 3.35Å; Y664-D666 WeakPolarHBondContact CD2-OD1 3.36Å
665Q88.3Confident86.7Confident77 Ų7757.8 Ų57.836%0.3630%0.3SS..EExtended strand (participates in β ladder)trans-133.8131.5172.2-178.8175.3-17.400109.1S653 Y667S653-Q665 PolarHBondContact N-O 2.86Å; S653-Q665 PolarHBondContact O-N 3.25Å; S653-Q665 PolarHBondContact OG-O 3.44Å; Q665-Y667 HydrophobicContact CB-CE2 4.31Å; Q665-Y667 VanDerWaalsContact CD-OH 3.29Å; Q665-Y667 HydrophobicContact CG-CE1 4.45Å; Q665-Y667 HydrophobicContact CG-CE2 4.03Å; Q665-Y667 PolarHBondContact NE2-OH 2.65Å; Q665-Y667 PolarHBondContact OE1-OH 3.32Å
666D89.6Confident87.1Confident38 Ų3854.8 Ų54.820%0.20329%0.286CS..EExtended strand (participates in β ladder)trans-97142.8179.2-70.8-9.7000111.1I651 R652 Y664I651-D666 CarbonylContact O-C 3.5Å; I651-D666 WeakPolarHBondContact O-CA 3.38Å; R652-D666 WeakPolarHBondContact CB-OD1 3.37Å; R652-D666 VanDerWaalsContact CG-OD1 3.26Å; R652-D666 WeakPolarHBondContact CG-OD1 3.5Å; R652-D666 IonicContact CZ-OD1 3.71Å; R652-D666 IonicContact CZ-OD2 3.56Å; R652-D666 IonicContact NE-OD1 3.14Å; R652-D666 PolarHBondContact NE-OD1 3.14Å; R652-D666 IonicContact NE-OD2 3.34Å; R652-D666 IonicContact NH2-OD1 2.78Å; R652-D666 PolarHBondContact NH2-OD1 2.88Å; R652-D666 IonicContact NH2-OD2 3.74Å; R652-D666 PolarHBondContact NH2-OD2 3.28Å; Y664-D666 WeakPolarHBondContact CD2-OD1 3.36Å
667Y91.4Very high87.8Confident18 Ų1854.3 Ų54.37%0.07128%0.283CS..EExtended strand (participates in β ladder)trans-125.4130.8177.8-60.7-86.7000110A3 V4 A5 I651 S653 Q665A3-Y667 PolarHBondContact O-OH 2.91Å; A3-Y667 VanDerWaalsContact O-OH 3.12Å; V4-Y667 WeakPolarHBondContact CA-OH 3.29Å; A5-Y667 HydrophobicContact CB-CD1 3.92Å; A5-Y667 HydrophobicContact CB-CD2 4.18Å; A5-Y667 HydrophobicContact CB-CE1 3.71Å; A5-Y667 HydrophobicContact CB-CE2 3.97Å; A5-Y667 HydrophobicContact CB-CG 4.15Å; A5-Y667 PolarHBondContact N-OH 2.86Å; A5-Y667 VanDerWaalsContact N-OH 3.12Å; A5-Y667 WeakPolarHBondContact O-CD1 3.36Å; A5-Y667 WeakPolarHBondContact O-CE1 3.33Å; I651-Y667 PolarHBondContact N-O 3.49Å; I651-Y667 PolarHBondContact O-N 2.82Å; S653-Y667 WeakPolarHBondContact OG-CE2 3.48Å; Q665-Y667 HydrophobicContact CB-CE2 4.31Å; Q665-Y667 VanDerWaalsContact CD-OH 3.29Å; Q665-Y667 HydrophobicContact CG-CE1 4.45Å; Q665-Y667 HydrophobicContact CG-CE2 4.03Å; Q665-Y667 PolarHBondContact NE2-OH 2.65Å; Q665-Y667 PolarHBondContact OE1-OH 3.32Å
668I90.8Very high88.3Confident28 Ų2852.5 Ų52.514%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-90.4113.6-175-55.3172.3000109.5N36 A51 G52 E54 L650N36-I668 PolarHBondContact ND2-O 2.96Å; N36-I668 VanDerWaalsContact ND2-O 3.16Å; A51-I668 HydrophobicContact CB-CB 4.44Å; A51-I668 HydrophobicContact CB-CD1 4.47Å; G52-I668 WeakPolarHBondContact O-CD1 3.36Å; E54-I668 HydrophobicContact CB-CD1 4.41Å; E54-I668 HydrophobicContact CG-CD1 3.69Å; E54-I668 HydrophobicContact CG-CG1 4.18Å; L650-I668 HydrophobicContact CD2-CB 4.33Å; L650-I668 HydrophobicContact CD2-CG1 3.86Å
669G89.6Confident88.7Confident0 Ų052.9 Ų52.90%027%0.266CS..  trans-129.9-86.6-176.600000112.2S35 N36 I696S35-G669 PolarHBondContact N-O 3.49Å; N36-G669 WeakPolarHBondContact ND2-CA 3.38Å; N36-G669 PolarHBondContact ND2-O 3.32Å; G669-I696 VanDerWaalsContact CA-CD1 3.49Å
670H93.1Very high89Confident1 Ų149.4 Ų49.41%0.00525%0.245CC..  trans-78.4173.1-179-63.1-74.7000111.2S35 G649 I674 T688 S690 D692 S694S35-H670 WeakPolarHBondContact CB-O 3.38Å; S35-H670 PolarHBondContact OG-O 3.25Å; G649-H670 PolarHBondContact O-N 3.2Å; G649-H670 VanDerWaalsContact O-N 3.1Å; H670-I674 HydrophobicContact CB-CG1 4.41Å; H670-T688 PolarHBondContact CD2-OG1 2.86Å; H670-T688 VanDerWaalsContact NE2-CB 3.31Å; H670-T688 WeakPolarHBondContact NE2-CB 3.33Å; H670-T688 PolarHBondContact NE2-O 3.25Å; H670-T688 PolarHBondContact NE2-OG1 2.87Å; H670-S690 VanDerWaalsContact CG-CB 3.42Å; H670-S690 VanDerWaalsContact ND1-CB 3.25Å; H670-S690 WeakPolarHBondContact ND1-CB 3.28Å; H670-D692 WeakPolarHBondContact CA-OD2 3.45Å; H670-D692 WeakPolarHBondContact CB-OD2 3.36Å; H670-D692 IonicContact CG-OD2 2.74Å; H670-D692 IonicContact ND1-OD1 3.19Å; H670-D692 PolarHBondContact ND1-OD1 3.49Å; H670-D692 IonicContact ND1-OD2 2.65Å; H670-D692 PolarHBondContact ND1-OD2 3Å; H670-S694 PolarHBondContact CE1-O 2.92Å; H670-S694 PolarHBondContact CE1-OG 2.87Å; H670-S694 PolarHBondContact ND1-OG 2.87Å
671C90.2Very high89.4Confident28 Ų2844.2 Ų44.219%0.18922%0.218CC..SBendtrans-1203.1171.765.30000114.9R14 S35 D692R14-C671 PolarHBondContact NH1-SG 2.83Å; S35-C671 WeakPolarHBondContact OG-CA 3.44Å; S35-C671 WeakPolarHBondContact OG-CB 3.2Å; C671-D692 PolarHBondContact N-OD2 3.46Å; C671-D692 VanDerWaalsContact SG-CB 3.54Å
672D90.9Very high89.4Confident57 Ų5743.5 Ų43.531%0.30521%0.213SC..SBendtrans-143.9173.8179.1-163.3-12.7000108.6Q647 G649 I674 S690 N691 D692Q647-D672 CarbonylContact O-C 3.54Å; G649-D672 VanDerWaalsContact CA-O 3.28Å; G649-D672 WeakPolarHBondContact CA-O 3.4Å; G649-D672 PolarHBondContact N-O 3.38Å; D672-I674 PolarHBondContact O-N 3.16Å; D672-S690 PolarHBondContact O-OG 3.21Å; D672-N691 HydrophobicContact CB-CB 4.02Å; D672-N691 VanDerWaalsContact CG-CB 3.47Å; D672-N691 VanDerWaalsContact OD2-CB 3.27Å; D672-N691 WeakPolarHBondContact OD2-CB 3.42Å; D672-D692 HydrophobicContact CB-CB 4.03Å
673N92.6Very high89.6Confident46 Ų4643.6 Ų43.625%0.24621%0.212CC..  trans-45.6120.4-173.7-58-7.4000112.3T631 Q647 T675 S690 N691T631-N673 HydrophobicContact CG2-CB 4.43Å; Q647-N673 WeakPolarHBondContact CG-OD1 3.16Å; Q647-N673 VanDerWaalsContact O-CA 3.29Å; Q647-N673 WeakPolarHBondContact O-CA 3.41Å; Q647-N673 PolarHBondContact O-N 3.43Å; Q647-N673 PolarHBondContact O-OD1 2.75Å; N673-T675 PolarHBondContact O-N 3.19Å; N673-S690 VanDerWaalsContact O-CA 3.29Å; N673-S690 WeakPolarHBondContact O-CA 3.5Å; N673-S690 WeakPolarHBondContact O-CB 3.37Å; N673-S690 PolarHBondContact O-OG 3.47Å; N673-S690 VanDerWaalsContact O-OG 3.07Å; N673-N691 PolarHBondContact O-N 2.73Å; N673-N691 VanDerWaalsContact O-N 3.13Å
674I95.8Very high89.9Confident1 Ų140.6 Ų40.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-69.2117.9169-54.8-173.5000107.9T631 T632 L650 I651 H670 D672 T688 V689T631-I674 VanDerWaalsContact CB-O 3.3Å; T631-I674 WeakPolarHBondContact CB-O 3.29Å; T631-I674 PolarHBondContact OG1-O 2.94Å; T632-I674 HydrophobicContact CG2-CB 4.12Å; T632-I674 HydrophobicContact CG2-CG2 3.65Å; L650-I674 WeakPolarHBondContact O-CD1 3.25Å; I651-I674 HydrophobicContact CD1-CD1 4.47Å; I651-I674 HydrophobicContact CG1-CD1 3.59Å; H670-I674 HydrophobicContact CB-CG1 4.41Å; D672-I674 PolarHBondContact O-N 3.16Å; I674-T688 HydrophobicContact CG2-CG2 4.24Å; I674-V689 CarbonylContact C-O 3.58Å; I674-V689 WeakPolarHBondContact CA-O 3.38Å; I674-V689 WeakPolarHBondContact CG2-O 3.36Å
675T95.1Very high90.2Very high37 Ų3736.4 Ų36.423%0.22718%0.177CC..EExtended strand (participates in β ladder)trans-89.3-38-172.553.20000112.5I425 N673 V689 N691I425-T675 WeakPolarHBondContact O-CB 3.4Å; I425-T675 WeakPolarHBondContact O-CG2 3.27Å; I425-T675 PolarHBondContact O-OG1 3.43Å; N673-T675 PolarHBondContact O-N 3.19Å; T675-V689 PolarHBondContact N-O 3.41Å; T675-V689 PolarHBondContact OG1-O 2.91Å; T675-N691 WeakPolarHBondContact CG2-OD1 3.25Å
676K95.8Very high90.5Very high36 Ų3632.8 Ų32.816%0.15716%0.16CC..EExtended strand (participates in β ladder)trans-145.2154174.8-64.6-67.2-175-179.70110.7M428 E509 V689M428-K676 HydrophobicContact CB-CB 4Å; M428-K676 HydrophobicContact CB-CG 4.46Å; M428-K676 HydrophobicContact CE-CB 4.09Å; E509-K676 IonicContact OE1-NZ 3.54Å; E509-K676 PolarHBondContact OE1-NZ 3.35Å; E509-K676 IonicContact OE2-NZ 2.78Å; E509-K676 PolarHBondContact OE2-NZ 3.29Å; K676-V689 HydrophobicContact CB-CG2 3.71Å; K676-V689 WeakPolarHBondContact O-CG2 3.43Å; K676-V689 PolarHBondContact O-N 3.03Å; K676-V689 VanDerWaalsContact O-N 3.13Å
677M96Very high90.8Very high9 Ų931 Ų314%0.04415%0.15CC..EExtended strand (participates in β ladder)trans-148.8132179.7179.2162.165.100109.8T632 T634 F643 I651 L686 I687 T688T632-M677 HydrophobicContact CG2-CB 3.81Å; T632-M677 HydrophobicContact CG2-CE 4.15Å; T634-M677 HydrophobicContact CG2-CE 4.04Å; T634-M677 HydrophobicContact CG2-CG 3.84Å; T634-M677 HydrophobicContact CG2-SD 4.32Å; F643-M677 VanDerWaalsContact C-CE 3.49Å; F643-M677 HydrophobicContact CB-CE 3.81Å; F643-M677 HydrophobicContact CB-SD 4.02Å; F643-M677 WeakPolarHBondContact O-CE 3.44Å; I651-M677 HydrophobicContact CG2-SD 4.3Å; M677-L686 HydrophobicContact CG-CD1 3.38Å; M677-L686 HydrophobicContact CG-CG 4.32Å; M677-L686 HydrophobicContact SD-CD1 3.84Å; M677-L686 HydrophobicContact SD-CD2 4.18Å; M677-L686 HydrophobicContact SD-CG 4.41Å; M677-I687 WeakPolarHBondContact CA-O 3.36Å; M677-T688 HydrophobicContact CB-CG2 4.06Å; M677-T688 HydrophobicContact CG-CG2 3.64Å; M677-T688 HydrophobicContact SD-CG2 3.61Å
678K94.7Very high91.1Very high73 Ų7330.1 Ų30.132%0.31715%0.147SC..EExtended strand (participates in β ladder)trans-144.1148.5178.8-69.1-159.1-180-157.70112.4M428 D429 V430 I687M428-K678 HydrophobicContact CE-CB 4.01Å; M428-K678 HydrophobicContact CE-CG 4.05Å; D429-K678 WeakPolarHBondContact OD1-CE 3.49Å; D429-K678 IonicContact OD1-NZ 2.84Å; D429-K678 PolarHBondContact OD1-NZ 3.46Å; D429-K678 IonicContact OD2-NZ 2.67Å; V430-K678 HydrophobicContact CG2-CB 3.88Å; V430-K678 HydrophobicContact CG2-CD 4.34Å; K678-I687 PolarHBondContact N-O 3.46Å; K678-I687 PolarHBondContact O-N 2.87Å
679M92.2Very high91.4Very high16 Ų1628.8 Ų28.88%0.07914%0.14CC..EExtended strand (participates in β ladder)trans-84.2143.5171.1-58.1-65.6-60.500111T634 I635 F643 D683 Y685 L686 I700T634-M679 HydrophobicContact CG2-CG 4.01Å; T634-M679 HydrophobicContact CG2-SD 4Å; I635-M679 WeakPolarHBondContact O-CG 3.34Å; F643-M679 HydrophobicContact CD2-SD 4.15Å; F643-M679 HydrophobicContact CE2-CE 4.46Å; F643-M679 HydrophobicContact CE2-SD 4.08Å; M679-D683 HydrophobicContact CE-CB 3.63Å; M679-Y685 CarbonylContact C-O 3.6Å; M679-Y685 WeakPolarHBondContact CA-O 3.33Å; M679-L686 HydrophobicContact SD-CB 4.14Å; M679-L686 HydrophobicContact SD-CD1 3.75Å; M679-I700 HydrophobicContact CE-CD1 3.51Å; M679-I700 HydrophobicContact SD-CD1 4.03Å
680A89.7Confident91.7Very high1 Ų128.8 Ų28.81%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-133.5164.617700000111.5V430 F451 F682 D683 Y685 I687V430-A680 HydrophobicContact CG1-CB 3.69Å; F451-A680 HydrophobicContact CE1-CB 4.07Å; F451-A680 HydrophobicContact CE2-CB 4.46Å; F451-A680 HydrophobicContact CZ-CB 3.94Å; A680-F682 PolarHBondContact O-N 2.79Å; A680-D683 PolarHBondContact O-N 3.46Å; A680-Y685 PolarHBondContact N-O 2.82Å; A680-Y685 PolarHBondContact O-N 2.92Å; A680-I687 HydrophobicContact CB-CD1 3.84Å
681S81.5Confident91.7Very high9 Ų930.1 Ų30.16%0.06315%0.147CC..G310 helixtrans45.357.1177.3-158.40000114D683 E684 N714S681-D683 VanDerWaalsContact C-N 3.29Å; S681-D683 PolarHBondContact O-N 2.73Å; S681-E684 WeakPolarHBondContact CB-OE2 3.28Å; S681-E684 VanDerWaalsContact O-CB 3.29Å; S681-E684 WeakPolarHBondContact O-CB 3.19Å; S681-E684 WeakPolarHBondContact O-CG 3.46Å; S681-E684 PolarHBondContact O-N 2.86Å; S681-E684 PolarHBondContact OG-OE2 3.26Å; S681-N714 PolarHBondContact OG-ND2 3.15Å
682F76.1Confident91.7Very high153 Ų15329.7 Ų29.767%0.67114%0.143SC*.G310 helixtrans50.443.8177.4-58-84.7000114.9A680A680-F682 PolarHBondContact O-N 2.79Å
683D81Confident91.8Very high17 Ų1727.5 Ų27.59%0.09113%0.132CC..G310 helixtrans77.54.6180-49.4-35.5000116.7S636 R637 S638 M679 A680 S681 Y685S636-D683 WeakPolarHBondContact CB-OD2 3.41Å; R637-D683 WeakPolarHBondContact CA-OD2 3.47Å; R637-D683 WeakPolarHBondContact CB-OD2 3.33Å; R637-D683 PolarHBondContact N-OD1 3.29Å; R637-D683 PolarHBondContact N-OD2 2.87Å; S638-D683 PolarHBondContact N-OD2 3Å; M679-D683 HydrophobicContact CE-CB 3.63Å; A680-D683 PolarHBondContact O-N 3.46Å; S681-D683 VanDerWaalsContact C-N 3.29Å; S681-D683 PolarHBondContact O-N 2.73Å; D683-Y685 VanDerWaalsContact C-N 3.29Å; D683-Y685 PolarHBondContact O-N 2.8Å
684E87Confident91.9Very high83 Ų8325.3 Ų25.339%0.38812%0.121SC..THydrogen-bonded Turntrans-67-31.9172.7-64.6169.6157.800112.2S681 N699 I700 N714S681-E684 WeakPolarHBondContact CB-OE2 3.28Å; S681-E684 VanDerWaalsContact O-CB 3.29Å; S681-E684 WeakPolarHBondContact O-CB 3.19Å; S681-E684 WeakPolarHBondContact O-CG 3.46Å; S681-E684 PolarHBondContact O-N 2.86Å; S681-E684 PolarHBondContact OG-OE2 3.26Å; E684-N699 WeakPolarHBondContact O-CA 3.26Å; E684-I700 PolarHBondContact O-N 3.06Å; E684-N714 PolarHBondContact OE2-ND2 3.04Å
685Y91.9Very high92Very high37 Ų3725.4 Ų25.415%0.14512%0.121CC..EExtended strand (participates in β ladder)trans-124.3142.4-178.6-55.5-54.2000113.2K8 F451 M679 A680 D683 I697 W698 N699K8-Y685 HydrophobicContact CD-CD1 4.17Å; K8-Y685 HydrophobicContact CD-CE1 3.66Å; K8-Y685 PolarHBondContact NZ-OH 3.16Å; F451-Y685 AromaticContact CD2-CD2 3.81Å; F451-Y685 HydrophobicContact CD2-CD2 3.81Å; F451-Y685 HydrophobicContact CD2-CE2 4.03Å; F451-Y685 AromaticContact CE2-CD2 3.66Å; F451-Y685 HydrophobicContact CE2-CD2 3.66Å; F451-Y685 AromaticContact CE2-CE2 3.92Å; F451-Y685 HydrophobicContact CE2-CE2 3.92Å; M679-Y685 CarbonylContact C-O 3.6Å; M679-Y685 WeakPolarHBondContact CA-O 3.33Å; A680-Y685 PolarHBondContact N-O 2.82Å; A680-Y685 PolarHBondContact O-N 2.92Å; D683-Y685 VanDerWaalsContact C-N 3.29Å; D683-Y685 PolarHBondContact O-N 2.8Å; Y685-I697 HydrophobicContact CD1-CG2 4.36Å; Y685-I697 HydrophobicContact CG-CG2 4.5Å; Y685-W698 WeakPolarHBondContact CA-O 3.22Å; Y685-N699 HydrophobicContact CD1-CB 4.49Å; Y685-N699 HydrophobicContact CE1-CB 4.46Å
686L94.7Very high92Very high0 Ų023.6 Ų23.60%011%0.11CC..EExtended strand (participates in β ladder)trans-116.1135.3164.716971.5000107.7T634 F643 I651 M677 M679 T688 W698 I700T634-L686 HydrophobicContact CG2-CD1 3.73Å; F643-L686 HydrophobicContact CB-CD2 4.33Å; F643-L686 HydrophobicContact CD1-CD2 3.92Å; F643-L686 HydrophobicContact CD2-CD2 4.21Å; F643-L686 HydrophobicContact CE1-CD2 4.26Å; F643-L686 HydrophobicContact CG-CD2 3.9Å; I651-L686 HydrophobicContact CD1-CD2 4.26Å; I651-L686 HydrophobicContact CG2-CD2 4.34Å; M677-L686 HydrophobicContact CG-CD1 3.38Å; M677-L686 HydrophobicContact CG-CG 4.32Å; M677-L686 HydrophobicContact SD-CD1 3.84Å; M677-L686 HydrophobicContact SD-CD2 4.18Å; M677-L686 HydrophobicContact SD-CG 4.41Å; M679-L686 HydrophobicContact SD-CB 4.14Å; M679-L686 HydrophobicContact SD-CD1 3.75Å; L686-T688 HydrophobicContact CG-CG2 4.43Å; L686-W698 HydrophobicContact CB-CB 4.12Å; L686-W698 PolarHBondContact N-O 3.31Å; L686-W698 WeakPolarHBondContact O-CB 3.45Å; L686-W698 PolarHBondContact O-N 3.49Å; L686-I700 HydrophobicContact CB-CD1 3.5Å; L686-I700 VanDerWaalsContact CB-CD1 3.5Å; L686-I700 HydrophobicContact CB-CG1 4.27Å; L686-I700 HydrophobicContact CD2-CD1 4.43Å
687I96.5Very high92Very high0 Ų021.9 Ų21.90%010%0.103CC..EExtended strand (participates in β ladder)trans-118.3131.1179.1-57.3157.8000107.6M428 V430 I437 F451 M677 K678 A680 I695 I696 I697M428-I687 HydrophobicContact CE-CB 4.44Å; M428-I687 HydrophobicContact CE-CG2 4.27Å; M428-I687 HydrophobicContact SD-CB 4.18Å; M428-I687 HydrophobicContact SD-CG2 3.41Å; M428-I687 WeakPolarHBondContact SD-CG2 3.36Å; V430-I687 HydrophobicContact CG1-CD1 4.12Å; V430-I687 HydrophobicContact CG2-CD1 3.61Å; I437-I687 HydrophobicContact CD1-CD1 3.68Å; I437-I687 HydrophobicContact CD1-CG1 4.06Å; I437-I687 HydrophobicContact CD1-CG2 3.76Å; I437-I687 HydrophobicContact CG1-CD1 3.73Å; I437-I687 HydrophobicContact CG2-CG2 4.24Å; F451-I687 HydrophobicContact CD1-CD1 4.28Å; M677-I687 WeakPolarHBondContact CA-O 3.36Å; K678-I687 PolarHBondContact N-O 3.46Å; K678-I687 PolarHBondContact O-N 2.87Å; A680-I687 HydrophobicContact CB-CD1 3.84Å; I687-I695 HydrophobicContact CG2-CG2 4.09Å; I687-I696 WeakPolarHBondContact CA-O 3.31Å; I687-I697 HydrophobicContact CG1-CG1 4.48Å
688T97.1Very high91.9Very high0 Ų021.7 Ų21.70%010%0.101CC..EExtended strand (participates in β ladder)trans-126.4144.9175.753.40000111.7I651 H670 I674 M677 L686 I695 I696 W698I651-T688 HydrophobicContact CD1-CG2 3.49Å; I651-T688 VanDerWaalsContact CD1-CG2 3.49Å; I651-T688 HydrophobicContact CG1-CG2 4.21Å; H670-T688 PolarHBondContact CD2-OG1 2.86Å; H670-T688 VanDerWaalsContact NE2-CB 3.31Å; H670-T688 WeakPolarHBondContact NE2-CB 3.33Å; H670-T688 PolarHBondContact NE2-O 3.25Å; H670-T688 PolarHBondContact NE2-OG1 2.87Å; I674-T688 HydrophobicContact CG2-CG2 4.24Å; M677-T688 HydrophobicContact CB-CG2 4.06Å; M677-T688 HydrophobicContact CG-CG2 3.64Å; M677-T688 HydrophobicContact SD-CG2 3.61Å; L686-T688 HydrophobicContact CG-CG2 4.43Å; T688-I695 WeakPolarHBondContact O-CA 3.38Å; T688-I696 PolarHBondContact N-O 2.8Å; T688-I696 PolarHBondContact O-N 2.9Å; T688-W698 PolarHBondContact OG1-NE1 3.43Å
689V97.1Very high91.8Very high0 Ų020.5 Ų20.50%010%0.098CC..EExtended strand (participates in β ladder)trans-129.7150.8173.2-69.70000110.5I425 M428 T439 I674 T675 K676 I695I425-V689 HydrophobicContact CB-CB 4.15Å; I425-V689 HydrophobicContact CD1-CB 4.26Å; I425-V689 HydrophobicContact CD1-CG1 4.14Å; I425-V689 HydrophobicContact CG2-CB 3.83Å; I425-V689 HydrophobicContact CG2-CG1 4.06Å; I425-V689 HydrophobicContact CG2-CG2 4.03Å; M428-V689 HydrophobicContact CB-CG1 4.31Å; M428-V689 HydrophobicContact CB-CG2 3.72Å; M428-V689 HydrophobicContact CE-CG2 4.41Å; M428-V689 HydrophobicContact CG-CG1 4.28Å; M428-V689 HydrophobicContact CG-CG2 4.4Å; M428-V689 HydrophobicContact SD-CB 4.39Å; M428-V689 HydrophobicContact SD-CG1 3.61Å; M428-V689 HydrophobicContact SD-CG2 3.96Å; T439-V689 HydrophobicContact CG2-CG1 3.97Å; I674-V689 CarbonylContact C-O 3.58Å; I674-V689 WeakPolarHBondContact CA-O 3.38Å; I674-V689 WeakPolarHBondContact CG2-O 3.36Å; T675-V689 PolarHBondContact N-O 3.41Å; T675-V689 PolarHBondContact OG1-O 2.91Å; K676-V689 HydrophobicContact CB-CG2 3.71Å; K676-V689 WeakPolarHBondContact O-CG2 3.43Å; K676-V689 PolarHBondContact O-N 3.03Å; K676-V689 VanDerWaalsContact O-N 3.13Å; V689-I695 HydrophobicContact CG1-CB 4.15Å; V689-I695 HydrophobicContact CG1-CG1 3.9Å; V689-I695 HydrophobicContact CG1-CG2 3.88Å
690S95.7Very high91.7Very high0 Ų020.5 Ų20.50%010%0.099CC..EExtended strand (participates in β ladder)trans-138.7165-175171.40000112.7H670 D672 N673 D692 C693 S694H670-S690 VanDerWaalsContact CG-CB 3.42Å; H670-S690 VanDerWaalsContact ND1-CB 3.25Å; H670-S690 WeakPolarHBondContact ND1-CB 3.28Å; D672-S690 PolarHBondContact O-OG 3.21Å; N673-S690 VanDerWaalsContact O-CA 3.29Å; N673-S690 WeakPolarHBondContact O-CA 3.5Å; N673-S690 WeakPolarHBondContact O-CB 3.37Å; N673-S690 PolarHBondContact O-OG 3.47Å; N673-S690 VanDerWaalsContact O-OG 3.07Å; S690-D692 WeakPolarHBondContact CB-OD1 3.29Å; S690-D692 PolarHBondContact O-N 2.94Å; S690-D692 PolarHBondContact OG-N 3.02Å; S690-D692 VanDerWaalsContact OG-N 3.14Å; S690-C693 PolarHBondContact O-N 2.84Å; S690-S694 PolarHBondContact N-O 3.22Å
691N94.1Very high91.2Very high30 Ų3025.9 Ų25.916%0.1612%0.123CC..THydrogen-bonded Turntrans-56.7-21.5164.4-78.3-7.5000113.4Q424 D672 N673 T675 C693Q424-N691 HydrophobicContact CG-CB 4.29Å; D672-N691 HydrophobicContact CB-CB 4.02Å; D672-N691 VanDerWaalsContact CG-CB 3.47Å; D672-N691 VanDerWaalsContact OD2-CB 3.27Å; D672-N691 WeakPolarHBondContact OD2-CB 3.42Å; N673-N691 PolarHBondContact O-N 2.73Å; N673-N691 VanDerWaalsContact O-N 3.13Å; T675-N691 WeakPolarHBondContact CG2-OD1 3.25Å; N691-C693 PolarHBondContact O-N 3.33Å
692D91Very high90.7Very high19 Ų1928.1 Ų28.110%0.10213%0.133CC..THydrogen-bonded Turntrans-71.911.8177.171.611.2000115G34 H670 C671 D672 S690 S694G34-D692 WeakPolarHBondContact CA-OD2 3.34Å; H670-D692 WeakPolarHBondContact CA-OD2 3.45Å; H670-D692 WeakPolarHBondContact CB-OD2 3.36Å; H670-D692 IonicContact CG-OD2 2.74Å; H670-D692 IonicContact ND1-OD1 3.19Å; H670-D692 PolarHBondContact ND1-OD1 3.49Å; H670-D692 IonicContact ND1-OD2 2.65Å; H670-D692 PolarHBondContact ND1-OD2 3Å; C671-D692 PolarHBondContact N-OD2 3.46Å; C671-D692 VanDerWaalsContact SG-CB 3.54Å; D672-D692 HydrophobicContact CB-CB 4.03Å; S690-D692 WeakPolarHBondContact CB-OD1 3.29Å; S690-D692 PolarHBondContact O-N 2.94Å; S690-D692 PolarHBondContact OG-N 3.02Å; S690-D692 VanDerWaalsContact OG-N 3.14Å; D692-S694 VanDerWaalsContact CG-OG 3.29Å; D692-S694 PolarHBondContact O-N 2.77Å; D692-S694 VanDerWaalsContact OD1-CB 3.31Å; D692-S694 WeakPolarHBondContact OD1-CB 3.46Å; D692-S694 PolarHBondContact OD1-N 2.8Å; D692-S694 PolarHBondContact OD1-OG 2.89Å; D692-S694 PolarHBondContact OD2-OG 3.38Å
693C93Very high89.9Confident11 Ų1129.1 Ų29.17%0.07413%0.132CC..SBendtrans66.39.4-179.8-50.50000114.7H421 G423 S690 N691H421-C693 HydrophobicContact CB-CB 4.37Å; H421-C693 WeakPolarHBondContact O-CB 3.17Å; G423-C693 PolarHBondContact O-SG 3.35Å; G423-C693 VanDerWaalsContact O-SG 3.35Å; S690-C693 PolarHBondContact O-N 2.84Å; N691-C693 PolarHBondContact O-N 3.33Å
694S94.6Very high88.7Confident0 Ų033.2 Ų33.20%015%0.154CC..  trans-104.9155.5-178.474.80000114.6F11 C33 H670 S690 D692F11-S694 CarbonylContact O-C 3.56Å; F11-S694 WeakPolarHBondContact O-CA 2.77Å; F11-S694 VanDerWaalsContact O-CB 3.26Å; F11-S694 WeakPolarHBondContact O-CB 3.22Å; C33-S694 WeakPolarHBondContact SG-CB 3.34Å; H670-S694 PolarHBondContact CE1-O 2.92Å; H670-S694 PolarHBondContact CE1-OG 2.87Å; H670-S694 PolarHBondContact ND1-OG 2.87Å; S690-S694 PolarHBondContact N-O 3.22Å; D692-S694 VanDerWaalsContact CG-OG 3.29Å; D692-S694 PolarHBondContact O-N 2.77Å; D692-S694 VanDerWaalsContact OD1-CB 3.31Å; D692-S694 WeakPolarHBondContact OD1-CB 3.46Å; D692-S694 PolarHBondContact OD1-N 2.8Å; D692-S694 PolarHBondContact OD1-OG 2.89Å; D692-S694 PolarHBondContact OD2-OG 3.38Å
695I96.4Very high86.9Confident2 Ų232.2 Ų32.21%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-121.3126174.1-46.9169.6000106.6I10 F11 I425 T439 W449 I687 T688 V689I10-I695 WeakPolarHBondContact CA-O 3.38Å; F11-I695 HydrophobicContact CB-CB 4.19Å; F11-I695 HydrophobicContact CB-CD1 4.44Å; F11-I695 HydrophobicContact CD2-CB 4.06Å; F11-I695 HydrophobicContact CD2-CD1 4.43Å; F11-I695 HydrophobicContact CD2-CG2 4.3Å; F11-I695 PolarHBondContact N-O 3.04Å; F11-I695 PolarHBondContact O-N 3.46Å; I425-I695 HydrophobicContact CD1-CD1 4.33Å; I425-I695 HydrophobicContact CD1-CG1 3.56Å; T439-I695 HydrophobicContact CG2-CD1 3.74Å; T439-I695 HydrophobicContact CG2-CG1 4.21Å; W449-I695 HydrophobicContact CD2-CD1 3.9Å; W449-I695 HydrophobicContact CG-CD1 4.25Å; W449-I695 HydrophobicContact CH2-CD1 4.31Å; W449-I695 HydrophobicContact CZ2-CD1 3.52Å; W449-I695 VanDerWaalsContact NE1-CD1 3.29Å; I687-I695 HydrophobicContact CG2-CG2 4.09Å; T688-I695 WeakPolarHBondContact O-CA 3.38Å; V689-I695 HydrophobicContact CG1-CB 4.15Å; V689-I695 HydrophobicContact CG1-CG1 3.9Å; V689-I695 HydrophobicContact CG1-CG2 3.88Å
696I96.4Very high84.2Confident0 Ų041.9 Ų41.90%020%0.196CC..EExtended strand (participates in β ladder)trans-117.4127.9178.8-58.5177.9000109.5L7 I10 G669 I687 T688 W698L7-I696 HydrophobicContact CD2-CG2 3.38Å; I10-I696 HydrophobicContact CD1-CD1 4.41Å; I10-I696 HydrophobicContact CD1-CG1 4.37Å; I10-I696 HydrophobicContact CG1-CG1 4.04Å; I10-I696 HydrophobicContact CG1-CG2 4.12Å; I10-I696 HydrophobicContact CG2-CG1 4.03Å; G669-I696 VanDerWaalsContact CA-CD1 3.49Å; I687-I696 WeakPolarHBondContact CA-O 3.31Å; T688-I696 PolarHBondContact N-O 2.8Å; T688-I696 PolarHBondContact O-N 2.9Å; I696-W698 HydrophobicContact CD1-CZ2 4.39Å; I696-W698 HydrophobicContact CG2-CD2 4.01Å; I696-W698 VanDerWaalsContact CG2-CE2 3.4Å; I696-W698 HydrophobicContact CG2-CG 4.23Å; I696-W698 HydrophobicContact CG2-CZ2 3.79Å; I696-W698 VanDerWaalsContact CG2-NE1 3.27Å
697I95.8Very high81.3Confident0 Ų046.8 Ų46.80%023%0.23CC..EExtended strand (participates in β ladder)trans-101.8122.5170.8-55.5164.9000108.1K8 H9 F11 I437 F451 Y685 I687K8-I697 HydrophobicContact CB-CG2 4.26Å; K8-I697 WeakPolarHBondContact CB-O 3.45Å; K8-I697 HydrophobicContact CD-CG2 3.94Å; K8-I697 PolarHBondContact N-O 2.97Å; H9-I697 HydrophobicContact CB-CD1 4.36Å; H9-I697 PolarHBondContact N-O 3.22Å; H9-I697 PolarHBondContact O-N 2.91Å; F11-I697 HydrophobicContact CE2-CD1 3.76Å; F11-I697 HydrophobicContact CZ-CD1 4.48Å; I437-I697 HydrophobicContact CD1-CD1 4.15Å; I437-I697 HydrophobicContact CD1-CG1 4.16Å; F451-I697 HydrophobicContact CB-CD1 3.72Å; Y685-I697 HydrophobicContact CD1-CG2 4.36Å; Y685-I697 HydrophobicContact CG-CG2 4.5Å; I687-I697 HydrophobicContact CG1-CG1 4.48Å
698W94.4Very high78.4Confident5 Ų551 Ų512%0.01926%0.26CS..EExtended strand (participates in β ladder)trans-107.3138.2178.1-54.483.4000110A5 S6 L7 I651 Y685 L686 T688 I696A5-W698 HydrophobicContact CB-CE3 4.28Å; S6-W698 CarbonylContact O-C 3.36Å; S6-W698 VanDerWaalsContact O-CA 3.27Å; S6-W698 WeakPolarHBondContact O-CA 3.5Å; L7-W698 HydrophobicContact CD2-CD2 4.06Å; L7-W698 HydrophobicContact CD2-CE3 3.75Å; L7-W698 HydrophobicContact CD2-CH2 3.54Å; L7-W698 HydrophobicContact CD2-CZ2 3.84Å; L7-W698 HydrophobicContact CD2-CZ3 3.49Å; L7-W698 VanDerWaalsContact CD2-CZ3 3.49Å; L7-W698 HydrophobicContact CG-CE3 4.19Å; L7-W698 HydrophobicContact CG-CH2 4.24Å; L7-W698 HydrophobicContact CG-CZ3 3.82Å; I651-W698 HydrophobicContact CD1-CD2 4.14Å; I651-W698 HydrophobicContact CD1-CH2 4.28Å; I651-W698 HydrophobicContact CD1-CZ2 3.38Å; I651-W698 HydrophobicContact CG1-CZ2 4.31Å; Y685-W698 WeakPolarHBondContact CA-O 3.22Å; L686-W698 HydrophobicContact CB-CB 4.12Å; L686-W698 PolarHBondContact N-O 3.31Å; L686-W698 WeakPolarHBondContact O-CB 3.45Å; L686-W698 PolarHBondContact O-N 3.49Å; T688-W698 PolarHBondContact OG1-NE1 3.43Å; I696-W698 HydrophobicContact CD1-CZ2 4.39Å; I696-W698 HydrophobicContact CG2-CD2 4.01Å; I696-W698 VanDerWaalsContact CG2-CE2 3.4Å; I696-W698 HydrophobicContact CG2-CG 4.23Å; I696-W698 HydrophobicContact CG2-CZ2 3.79Å; I696-W698 VanDerWaalsContact CG2-NE1 3.27Å
699N91.5Very high75.4Confident48 Ų4860.8 Ų60.826%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-93.3126.1166.3-179-6.4000109.2A5 S6 K8 E684 Y685A5-N699 CarbonylContact C-O 3.56Å; A5-N699 WeakPolarHBondContact CA-O 3.5Å; S6-N699 PolarHBondContact N-O 2.88Å; S6-N699 PolarHBondContact O-N 2.92Å; S6-N699 PolarHBondContact OG-O 2.71Å; K8-N699 HydrophobicContact CB-CB 4.44Å; E684-N699 WeakPolarHBondContact O-CA 3.26Å; Y685-N699 HydrophobicContact CD1-CB 4.49Å; Y685-N699 HydrophobicContact CE1-CB 4.46Å
700I89.2Confident72.6Confident16 Ų1664.6 Ų64.68%0.08233%0.326CS..EExtended strand (participates in β ladder)trans-105.1125.6179.5-66.6170.1000109.5A3 A5 F643 M679 E684 L686A3-I700 HydrophobicContact CB-CG2 4.04Å; A5-I700 HydrophobicContact CB-CG1 4.42Å; F643-I700 HydrophobicContact CE1-CD1 4.4Å; F643-I700 HydrophobicContact CE2-CD1 3.61Å; F643-I700 HydrophobicContact CZ-CD1 3.48Å; F643-I700 VanDerWaalsContact CZ-CD1 3.48Å; F643-I700 HydrophobicContact CZ-CG1 4.11Å; M679-I700 HydrophobicContact CE-CD1 3.51Å; M679-I700 HydrophobicContact SD-CD1 4.03Å; E684-I700 PolarHBondContact O-N 3.06Å; L686-I700 HydrophobicContact CB-CD1 3.5Å; L686-I700 VanDerWaalsContact CB-CD1 3.5Å; L686-I700 HydrophobicContact CB-CG1 4.27Å; L686-I700 HydrophobicContact CD2-CD1 4.43Å
701Q80.3Confident69.7Low113 Ų11372.6 Ų72.653%0.52837%0.369SS..EExtended strand (participates in β ladder)trans-119.4110.9178.4-63.3-176.14.500111.5A3 V4 R703A3-Q701 WeakPolarHBondContact CA-O 3.22Å; V4-Q701 PolarHBondContact N-O 3.04Å; V4-Q701 VanDerWaalsContact N-O 3.07Å; V4-Q701 PolarHBondContact O-N 3.23Å; Q701-R703 PolarHBondContact O-N 3.5Å
702E69.8Low67.6Low57 Ų5778.3 Ų78.327%0.26639%0.392SS..  trans-75.8113.8169.1-66.6-165.7-176.300110.6A3 S638 R640 D704A3-E702 HydrophobicContact CB-CG 4.12Å; S638-E702 PolarHBondContact OG-OE1 3.41Å; R640-E702 WeakPolarHBondContact CD-OE1 3.33Å; R640-E702 WeakPolarHBondContact CD-OE2 3.48Å; R640-E702 IonicContact CZ-OE2 3.57Å; R640-E702 IonicContact NE-OE2 3.52Å; R640-E702 IonicContact NH1-OE2 3.46Å; R640-E702 PolarHBondContact NH1-OE2 3.15Å; E702-D704 VanDerWaalsContact C-N 3.29Å; E702-D704 PolarHBondContact O-N 3.2Å
703R60Low65.6Low173 Ų17385.8 Ų85.865%0.65343%0.426SS*.THydrogen-bonded Turntrans-68.8-21.5-177-77-168178.7-1712.9115.1Q701Q701-R703 PolarHBondContact O-N 3.5Å
704D56.2Low64Low104 Ų10488.1 Ų88.156%0.55644%0.438SS*.THydrogen-bonded Turntrans-92.65.4-171.2-68.1-47000113.9M1 E702 R706M1-D704 PolarHBondContact N-OD2 3.47Å; E702-D704 VanDerWaalsContact C-N 3.29Å; E702-D704 PolarHBondContact O-N 3.2Å; D704-R706 VanDerWaalsContact C-N 3.29Å; D704-R706 PolarHBondContact O-N 3.35Å
705A48.6Very low62.8Low61 Ų6195.8 Ų95.850%0.50448%0.477SS..  trans-72.970.7176.900000113.5S707A705-S707 CarbonylContact C-O 3.48Å; A705-S707 PolarHBondContact O-N 3.15Å; A705-S707 VanDerWaalsContact O-N 3.12Å
706R36.3Very low62Low241 Ų24197.5 Ų97.591%0.90948%0.484SS*.  trans-68.1103.2158.6-74.8-178.4176.1167.50.3108.1D704D704-R706 VanDerWaalsContact C-N 3.29Å; D704-R706 PolarHBondContact O-N 3.35Å
707S33.3Very low61.4Low102 Ų102100 Ų10071%0.71350%0.496SS*.SBendtrans71.5130.3-159.5760000112.3A705A705-S707 CarbonylContact C-O 3.48Å; A705-S707 PolarHBondContact O-N 3.15Å; A705-S707 VanDerWaalsContact O-N 3.12Å
708S35.6Very low60.8Low89 Ų89108.5 Ų108.562%0.62254%0.536SS*.  cis-127.9122.312.6-61.90000112.8T710S708-T710 PolarHBondContact O-N 3.29Å; S708-T710 VanDerWaalsContact O-N 3.09Å
709K34.7Very low60.3Low206 Ų206114.6 Ų114.690%0.89656%0.564SS**  trans-76.176.7144.5-77-165.1174.5-161.70107.3
710T37.2Very low60Low79 Ų79117.3 Ų117.349%0.48558%0.578SS.*  trans-77.8113.3154.335.90000106.2S708 K712S708-T710 PolarHBondContact O-N 3.29Å; S708-T710 VanDerWaalsContact O-N 3.09Å; T710-K712 HydrophobicContact CG2-CD 4.1Å; T710-K712 HydrophobicContact CG2-CG 4.31Å; T710-K712 PolarHBondContact O-N 3.21Å
711D35.1Very low60Low169 Ų169119.3 Ų119.390%0.90459%0.588SS**  trans-65.972.3154.5-61.2-42.3000106.9
712K49.4Very low60.4Low150 Ų150116.6 Ų116.665%0.65258%0.577SS**  trans-101.1102.3171.1-93174.5179.4-175.70105.5T710 N714T710-K712 HydrophobicContact CG2-CD 4.1Å; T710-K712 HydrophobicContact CG2-CG 4.31Å; T710-K712 PolarHBondContact O-N 3.21Å; K712-N714 PolarHBondContact O-N 3.34Å; K712-N714 VanDerWaalsContact O-N 3.09Å
713E50.3Low61.3Low176 Ų176115.5 Ų115.582%0.82257%0.574SS**  trans-54113.5156.7-64.817016300106.3I715E713-I715 PolarHBondContact O-N 2.75Å
714N58.4Low62.7Low60 Ų60114.5 Ų114.532%0.32157%0.574SS.*  trans-70.897.4175.4-83.3-24.2000106.8S681 E684 K712 W716S681-N714 PolarHBondContact OG-ND2 3.15Å; E684-N714 PolarHBondContact OE2-ND2 3.04Å; K712-N714 PolarHBondContact O-N 3.34Å; K712-N714 VanDerWaalsContact O-N 3.09Å; N714-W716 HydrophobicContact CB-CZ2 4.26Å; N714-W716 PolarHBondContact O-N 3.01Å; N714-W716 PolarHBondContact O-NE1 3.24Å
715I69.2Low64.3Low160 Ų160112.7 Ų112.782%0.82157%0.57SS**  trans-71.597.9-179.2-52.4176.9000108.5E713E713-I715 PolarHBondContact O-N 2.75Å
716W80.9Confident66Low39 Ų39111.2 Ų111.215%0.14855%0.554CS.*  trans-72.4161.2173-57.1109.1000111.6P435 F451 E452 N714 E718P435-W716 HydrophobicContact CB-CD2 4.07Å; P435-W716 HydrophobicContact CB-CG 4.4Å; P435-W716 HydrophobicContact CB-CZ2 4.18Å; P435-W716 HydrophobicContact CG-CD2 4.19Å; P435-W716 HydrophobicContact CG-CG 4.03Å; F451-W716 HydrophobicContact CE2-CH2 4.31Å; F451-W716 HydrophobicContact CE2-CZ2 4.18Å; F451-W716 AromaticContact CZ-CH2 3.96Å; F451-W716 HydrophobicContact CZ-CH2 3.96Å; F451-W716 HydrophobicContact CZ-CZ2 4.25Å; E452-W716 PolarHBondContact OE1-NE1 3.24Å; E452-W716 PolarHBondContact OE2-NE1 2.82Å; N714-W716 HydrophobicContact CB-CZ2 4.26Å; N714-W716 PolarHBondContact O-N 3.01Å; N714-W716 PolarHBondContact O-NE1 3.24Å; W716-E718 PolarHBondContact O-N 2.99Å
717M83.2Confident68.5Low52 Ų52103.4 Ų103.426%0.25653%0.53SS..  trans-80.5113.8172.8-58-159.9-2900111.4R433 K434 I474 E719R433-M717 HydrophobicContact CB-CE 4.38Å; R433-M717 HydrophobicContact CB-CG 4.28Å; R433-M717 HydrophobicContact CB-SD 4.36Å; R433-M717 PolarHBondContact O-N 3.3Å; R433-M717 VanDerWaalsContact O-N 3.1Å; K434-M717 VanDerWaalsContact CE-O 3.3Å; K434-M717 WeakPolarHBondContact CE-O 3.44Å; K434-M717 HydrophobicContact CG-CB 4.37Å; I474-M717 HydrophobicContact CG2-CE 3.81Å; M717-E719 VanDerWaalsContact C-N 3.32Å; M717-E719 PolarHBondContact O-N 2.95Å
718E82.5Confident71.2Confident178 Ų178103.9 Ų103.983%0.83252%0.52SS*.  trans-80.2-6.8179.3-60-178.4165.100114W716 I720W716-E718 PolarHBondContact O-N 2.99Å; E718-I720 PolarHBondContact O-N 3.25Å
719E85.2Confident73.7Confident134 Ų134105.4 Ų105.463%0.62652%0.518SS*.  trans-63.4124.1-177.5-62.9-177.6159.500112.2K434 M717K434-E719 WeakPolarHBondContact CE-O 3.15Å; K434-E719 PolarHBondContact NZ-O 3.36Å; M717-E719 VanDerWaalsContact C-N 3.32Å; M717-E719 PolarHBondContact O-N 2.95Å
720I85.7Confident76.2Confident104 Ų10499.9 Ų99.953%0.53349%0.494SS..  trans-117.8140.2177.1-62.3165.1000109.2I493 E718I493-I720 HydrophobicContact CB-CG2 3.74Å; I493-I720 HydrophobicContact CG1-CG2 4.29Å; E718-I720 PolarHBondContact O-N 3.25Å
721L89Confident78.7Confident59 Ų5999.4 Ų99.431%0.30949%0.488SS..BIsolated β-bridgetrans-78.2129.4171-69171.6000110.2L476 N490 L492 I493L476-L721 HydrophobicContact CB-CD1 3.99Å; L476-L721 HydrophobicContact CB-CG 4.5Å; L476-L721 HydrophobicContact CD1-CG 4.32Å; L476-L721 HydrophobicContact CD2-CD1 4.46Å; L476-L721 HydrophobicContact CD2-CG 4.11Å; N490-L721 HydrophobicContact CB-CD1 4.26Å; L492-L721 CarbonylContact C-O 3.54Å; L492-L721 WeakPolarHBondContact CA-O 3.25Å; L492-L721 HydrophobicContact CD2-CB 3.59Å; I493-L721 PolarHBondContact N-O 2.99Å
722I88.6Confident81.4Confident56 Ų5695 Ų9529%0.28747%0.47SS..  trans-133.2141.3170.7-172.4168.8000107.4I493 D726 L727I493-I722 HydrophobicContact CG2-CB 4.3Å; I493-I722 HydrophobicContact CG2-CD1 4.07Å; I493-I722 HydrophobicContact CG2-CG1 3.99Å; I722-D726 HydrophobicContact CD1-CB 4.37Å; I722-D726 HydrophobicContact CG1-CB 3.96Å; I722-L727 HydrophobicContact CD1-CB 3.96Å; I722-L727 HydrophobicContact CD1-CD1 4.21Å; I722-L727 HydrophobicContact CG1-CB 4.15Å; I722-L727 HydrophobicContact CG2-CB 4.1Å; I722-L727 HydrophobicContact CG2-CD1 4.34Å; I722-L727 HydrophobicContact CG2-CD2 4.32Å; I722-L727 HydrophobicContact CG2-CG 4.49Å
723T88.9Confident83.2Confident34 Ų3491.1 Ų91.121%0.20946%0.456CS..  trans-80.5154.5176.982.90000110.6L492 R497 S725 D726 L727L492-T723 HydrophobicContact CD1-CG2 3.7Å; L492-T723 HydrophobicContact CD2-CG2 4.4Å; R497-T723 PolarHBondContact NH1-OG1 2.87Å; T723-S725 VanDerWaalsContact C-N 3.28Å; T723-S725 PolarHBondContact O-N 2.81Å; T723-S725 PolarHBondContact OG1-OG 3.48Å; T723-S725 VanDerWaalsContact OG1-OG 3.09Å; T723-D726 WeakPolarHBondContact CB-OD2 3.44Å; T723-D726 PolarHBondContact O-N 3.31Å; T723-D726 VanDerWaalsContact O-N 3.12Å; T723-D726 PolarHBondContact OG1-OD1 2.76Å; T723-D726 VanDerWaalsContact OG1-OD1 3.08Å; T723-D726 PolarHBondContact OG1-OD2 3.39Å; T723-L727 PolarHBondContact O-N 2.92Å
724K88.9Confident84.9Confident151 Ų15187 Ų8766%0.65744%0.438SS*.Hα-helixtrans-58.8-39.5-173.3-178.7177.6168.5-178.40112.5L727 E728K724-L727 PolarHBondContact O-N 3.39Å; K724-E728 WeakPolarHBondContact CE-OE1 3.35Å; K724-E728 HydrophobicContact CG-CG 4.5Å; K724-E728 IonicContact NZ-OE1 3.5Å; K724-E728 WeakPolarHBondContact O-CB 3.37Å; K724-E728 WeakPolarHBondContact O-CG 3.39Å; K724-E728 PolarHBondContact O-N 3.13Å
725S88.8Confident86.4Confident67 Ų6788.5 Ų88.547%0.46945%0.446SS..Hα-helixtrans-60.3-49.6174.846.90000111.5T723 L727 E728 E729T723-S725 VanDerWaalsContact C-N 3.28Å; T723-S725 PolarHBondContact O-N 2.81Å; T723-S725 PolarHBondContact OG1-OG 3.48Å; T723-S725 VanDerWaalsContact OG1-OG 3.09Å; S725-L727 VanDerWaalsContact C-N 3.28Å; S725-L727 PolarHBondContact O-N 2.71Å; S725-E728 PolarHBondContact O-N 2.77Å; S725-E729 WeakPolarHBondContact O-CB 3.44Å; S725-E729 PolarHBondContact O-N 3.38Å
726D85.7Confident87.4Confident30 Ų3087.1 Ų87.116%0.1644%0.436CS..Hα-helixtrans-66.3-35.6-176.2-40.3-22.6000109.9R497 I722 T723 K730R497-D726 IonicContact CZ-OD2 2.65Å; R497-D726 IonicContact NH1-OD2 3.71Å; R497-D726 IonicContact NH2-OD1 3.49Å; R497-D726 PolarHBondContact NH2-OD1 2.85Å; R497-D726 IonicContact NH2-OD2 3.32Å; R497-D726 PolarHBondContact NH2-OD2 3.49Å; I722-D726 HydrophobicContact CD1-CB 4.37Å; I722-D726 HydrophobicContact CG1-CB 3.96Å; T723-D726 WeakPolarHBondContact CB-OD2 3.44Å; T723-D726 PolarHBondContact O-N 3.31Å; T723-D726 VanDerWaalsContact O-N 3.12Å; T723-D726 PolarHBondContact OG1-OD1 2.76Å; T723-D726 VanDerWaalsContact OG1-OD1 3.08Å; T723-D726 PolarHBondContact OG1-OD2 3.39Å; D726-K730 VanDerWaalsContact O-CB 3.29Å; D726-K730 WeakPolarHBondContact O-CB 3.36Å; D726-K730 WeakPolarHBondContact O-CG 3.43Å; D726-K730 PolarHBondContact O-N 2.95Å
727L88Confident87.7Confident77 Ų7790 Ų9040%0.40345%0.454SS..Hα-helixtrans-68.5-41174-178.961.4000112.6I722 T723 K724 S725 N731I722-L727 HydrophobicContact CD1-CB 3.96Å; I722-L727 HydrophobicContact CD1-CD1 4.21Å; I722-L727 HydrophobicContact CG1-CB 4.15Å; I722-L727 HydrophobicContact CG2-CB 4.1Å; I722-L727 HydrophobicContact CG2-CD1 4.34Å; I722-L727 HydrophobicContact CG2-CD2 4.32Å; I722-L727 HydrophobicContact CG2-CG 4.49Å; T723-L727 PolarHBondContact O-N 2.92Å; K724-L727 PolarHBondContact O-N 3.39Å; S725-L727 VanDerWaalsContact C-N 3.28Å; S725-L727 PolarHBondContact O-N 2.71Å; L727-N731 WeakPolarHBondContact CD1-ND2 3.4Å; L727-N731 VanDerWaalsContact O-CB 3.28Å; L727-N731 WeakPolarHBondContact O-CB 3.44Å; L727-N731 VanDerWaalsContact O-CG 3.27Å; L727-N731 PolarHBondContact O-N 2.99Å; L727-N731 PolarHBondContact O-ND2 3.34Å
728E90.8Very high88Confident111 Ų11192.4 Ų92.452%0.51946%0.463SS..Hα-helixtrans-65.3-42.2175.5-75.3173.1167.400111.1K724 S725 N731 S732K724-E728 WeakPolarHBondContact CE-OE1 3.35Å; K724-E728 HydrophobicContact CG-CG 4.5Å; K724-E728 IonicContact NZ-OE1 3.5Å; K724-E728 WeakPolarHBondContact O-CB 3.37Å; K724-E728 WeakPolarHBondContact O-CG 3.39Å; K724-E728 PolarHBondContact O-N 3.13Å; S725-E728 PolarHBondContact O-N 2.77Å; E728-N731 PolarHBondContact O-N 3.41Å; E728-S732 PolarHBondContact O-N 2.78Å
729E88.3Confident88.4Confident121 Ų12187.6 Ų87.657%0.56545%0.446SS*.Hα-helixtrans-63.7-51.5175-174.5177.9176.600112S725 N731 S732 I733S725-E729 WeakPolarHBondContact O-CB 3.44Å; S725-E729 PolarHBondContact O-N 3.38Å; E729-N731 VanDerWaalsContact C-N 3.27Å; E729-N731 PolarHBondContact O-N 3.05Å; E729-S732 WeakPolarHBondContact O-CA 3.49Å; E729-S732 WeakPolarHBondContact O-CB 3.41Å; E729-S732 PolarHBondContact O-N 3.29Å; E729-I733 HydrophobicContact CG-CD1 3.93Å; E729-I733 WeakPolarHBondContact O-CG1 3.41Å; E729-I733 PolarHBondContact O-N 3.32Å
730K85.9Confident88.5Confident90 Ų9086.4 Ų86.439%0.39144%0.436SS..Hα-helixtrans-62.3-33.1178.1-62.9-89.7-176.8166.20111.8D494 D726 M734D494-K730 IonicContact OD1-NZ 3.33Å; D494-K730 VanDerWaalsContact OD2-CE 3.23Å; D494-K730 WeakPolarHBondContact OD2-CE 3.45Å; D494-K730 IonicContact OD2-NZ 2.58Å; D494-K730 PolarHBondContact OD2-NZ 3.5Å; D726-K730 VanDerWaalsContact O-CB 3.29Å; D726-K730 WeakPolarHBondContact O-CB 3.36Å; D726-K730 WeakPolarHBondContact O-CG 3.43Å; D726-K730 PolarHBondContact O-N 2.95Å; K730-M734 VanDerWaalsContact O-CB 3.22Å; K730-M734 WeakPolarHBondContact O-CB 3.39Å; K730-M734 PolarHBondContact O-N 2.75Å
731N89.3Confident88.4Confident70 Ų7085.4 Ų85.437%0.37443%0.43SS..Hα-helixtrans-69.3-38.7172.4-81-48.1000112.5L727 E728 E729 M734 N735L727-N731 WeakPolarHBondContact CD1-ND2 3.4Å; L727-N731 VanDerWaalsContact O-CB 3.28Å; L727-N731 WeakPolarHBondContact O-CB 3.44Å; L727-N731 VanDerWaalsContact O-CG 3.27Å; L727-N731 PolarHBondContact O-N 2.99Å; L727-N731 PolarHBondContact O-ND2 3.34Å; E728-N731 PolarHBondContact O-N 3.41Å; E729-N731 VanDerWaalsContact C-N 3.27Å; E729-N731 PolarHBondContact O-N 3.05Å; N731-M734 PolarHBondContact O-N 3.4Å; N731-N735 VanDerWaalsContact O-CG 3.3Å; N731-N735 PolarHBondContact O-N 3.08Å; N731-N735 PolarHBondContact O-ND2 2.78Å
732S91.6Very high88.2Confident75 Ų7588.6 Ų88.652%0.52444%0.444SS..Hα-helixtrans-61.8-50.4173.2-167.50000110.9E728 E729 M734 N735 E736E728-S732 PolarHBondContact O-N 2.78Å; E729-S732 WeakPolarHBondContact O-CA 3.49Å; E729-S732 WeakPolarHBondContact O-CB 3.41Å; E729-S732 PolarHBondContact O-N 3.29Å; S732-M734 VanDerWaalsContact C-N 3.31Å; S732-M734 PolarHBondContact O-N 3.28Å; S732-N735 PolarHBondContact O-N 2.88Å; S732-N735 VanDerWaalsContact O-N 3.13Å; S732-E736 PolarHBondContact O-N 2.85Å
733I88.7Confident88.2Confident69 Ų6990.7 Ų90.735%0.35445%0.452SS..Hα-helixtrans-59.6-40.9175.8-65.2166.7000110.7E729 N735 E736 L737E729-I733 HydrophobicContact CG-CD1 3.93Å; E729-I733 WeakPolarHBondContact O-CG1 3.41Å; E729-I733 PolarHBondContact O-N 3.32Å; I733-N735 VanDerWaalsContact C-N 3.32Å; I733-N735 PolarHBondContact O-N 3.12Å; I733-E736 PolarHBondContact O-N 3.46Å; I733-L737 HydrophobicContact CG2-CD1 3.76Å; I733-L737 HydrophobicContact CG2-CG 4.13Å; I733-L737 VanDerWaalsContact O-CB 3.29Å; I733-L737 WeakPolarHBondContact O-CB 3.29Å; I733-L737 VanDerWaalsContact O-CG 3.26Å; I733-L737 WeakPolarHBondContact O-CG 3.21Å; I733-L737 PolarHBondContact O-N 3.41Å
734M86.2Confident87.9Confident90 Ų9092.9 Ų92.944%0.44346%0.462SS..Hα-helixtrans-63.7-37.1177.1-171-168.9-59.400112.2K730 N731 S732 K738K730-M734 VanDerWaalsContact O-CB 3.22Å; K730-M734 WeakPolarHBondContact O-CB 3.39Å; K730-M734 PolarHBondContact O-N 2.75Å; N731-M734 PolarHBondContact O-N 3.4Å; S732-M734 VanDerWaalsContact C-N 3.31Å; S732-M734 PolarHBondContact O-N 3.28Å; M734-K738 HydrophobicContact CG-CD 4.37Å; M734-K738 WeakPolarHBondContact O-CB 3.27Å; M734-K738 WeakPolarHBondContact O-CD 3.21Å; M734-K738 WeakPolarHBondContact O-CG 3.48Å; M734-K738 PolarHBondContact O-N 2.87Å; M734-K738 PolarHBondContact SD-NZ 3Å
735N89.6Confident87.7Confident92 Ų9291.6 Ų91.649%0.49246%0.457SS..Hα-helixtrans-71-42.7176.4-70.1-24.8000111.5N731 S732 I733 K738 T739N731-N735 VanDerWaalsContact O-CG 3.3Å; N731-N735 PolarHBondContact O-N 3.08Å; N731-N735 PolarHBondContact O-ND2 2.78Å; S732-N735 PolarHBondContact O-N 2.88Å; S732-N735 VanDerWaalsContact O-N 3.13Å; I733-N735 VanDerWaalsContact C-N 3.32Å; I733-N735 PolarHBondContact O-N 3.12Å; N735-K738 WeakPolarHBondContact O-CB 3.28Å; N735-K738 PolarHBondContact O-N 3.16Å; N735-T739 PolarHBondContact O-N 3.37Å; N735-T739 PolarHBondContact O-OG1 2.97Å
736E90.2Very high87.6Confident130 Ų13094 Ų9461%0.60746%0.464SS*.Hα-helixtrans-60.8-45.5174-173.9179.7174.400111.9S732 I733 K738 T739 R740S732-E736 PolarHBondContact O-N 2.85Å; I733-E736 PolarHBondContact O-N 3.46Å; E736-K738 PolarHBondContact O-N 2.86Å; E736-T739 WeakPolarHBondContact CA-OG1 3.26Å; E736-T739 PolarHBondContact O-N 3.39Å; E736-T739 PolarHBondContact O-OG1 3.04Å; E736-R740 WeakPolarHBondContact O-CB 2.99Å; E736-R740 PolarHBondContact O-N 3.46Å
737L87Confident87.6Confident99 Ų9996.8 Ų96.852%0.51848%0.476SS..Hα-helixtrans-64.6-36.3174.9-73.2175.3000112.3I733 R740 I741I733-L737 HydrophobicContact CG2-CD1 3.76Å; I733-L737 HydrophobicContact CG2-CG 4.13Å; I733-L737 VanDerWaalsContact O-CB 3.29Å; I733-L737 WeakPolarHBondContact O-CB 3.29Å; I733-L737 VanDerWaalsContact O-CG 3.26Å; I733-L737 WeakPolarHBondContact O-CG 3.21Å; I733-L737 PolarHBondContact O-N 3.41Å; L737-R740 PolarHBondContact O-N 3.38Å; L737-I741 VanDerWaalsContact O-CB 3.29Å; L737-I741 WeakPolarHBondContact O-CB 3.23Å; L737-I741 WeakPolarHBondContact O-CD1 3.26Å; L737-I741 WeakPolarHBondContact O-CG1 3.4Å; L737-I741 PolarHBondContact O-N 3.39Å
738K89Confident87.2Confident103 Ų10397.3 Ų97.345%0.44848%0.479SS..Hα-helixtrans-62.1-48.8172.7-79.7164.7-176.8164.70111M734 N735 E736 R740 I741 E742M734-K738 HydrophobicContact CG-CD 4.37Å; M734-K738 WeakPolarHBondContact O-CB 3.27Å; M734-K738 WeakPolarHBondContact O-CD 3.21Å; M734-K738 WeakPolarHBondContact O-CG 3.48Å; M734-K738 PolarHBondContact O-N 2.87Å; M734-K738 PolarHBondContact SD-NZ 3Å; N735-K738 WeakPolarHBondContact O-CB 3.28Å; N735-K738 PolarHBondContact O-N 3.16Å; E736-K738 PolarHBondContact O-N 2.86Å; K738-R740 VanDerWaalsContact C-N 3.32Å; K738-R740 PolarHBondContact O-N 2.95Å; K738-I741 PolarHBondContact O-N 3.27Å; K738-E742 PolarHBondContact O-N 2.88Å
739T91.4Very high86.9Confident77 Ų7795.9 Ų95.947%0.47248%0.475SS..Hα-helixtrans-60.7-41.4175.244.30000111.7N735 E736 I741 E742 E743N735-T739 PolarHBondContact O-N 3.37Å; N735-T739 PolarHBondContact O-OG1 2.97Å; E736-T739 WeakPolarHBondContact CA-OG1 3.26Å; E736-T739 PolarHBondContact O-N 3.39Å; E736-T739 PolarHBondContact O-OG1 3.04Å; T739-I741 PolarHBondContact O-N 3.41Å; T739-E742 PolarHBondContact O-N 2.85Å; T739-E743 WeakPolarHBondContact O-CG 3.4Å; T739-E743 PolarHBondContact O-N 3.08Å
740R87.5Confident86.6Confident109 Ų10997.2 Ų97.241%0.41148%0.476SS..Hα-helixtrans-68.5-33.3178.1-169.662.5-172.6143.87.9112.9E736 L737 K738 E743 L744E736-R740 WeakPolarHBondContact O-CB 2.99Å; E736-R740 PolarHBondContact O-N 3.46Å; L737-R740 PolarHBondContact O-N 3.38Å; K738-R740 VanDerWaalsContact C-N 3.32Å; K738-R740 PolarHBondContact O-N 2.95Å; R740-E743 VanDerWaalsContact CD-OE2 3.3Å; R740-E743 WeakPolarHBondContact CD-OE2 3.41Å; R740-E743 IonicContact CZ-OE2 3.84Å; R740-E743 IonicContact NE-OE2 2.75Å; R740-E743 IonicContact NH1-OE2 2.74Å; R740-E743 PolarHBondContact NH1-OE2 3.42Å; R740-L744 HydrophobicContact CG-CD1 4.13Å; R740-L744 HydrophobicContact CG-CG 4.46Å; R740-L744 VanDerWaalsContact O-CB 3.28Å; R740-L744 WeakPolarHBondContact O-CB 3.35Å; R740-L744 VanDerWaalsContact O-CG 3.23Å; R740-L744 WeakPolarHBondContact O-CG 3.23Å; R740-L744 PolarHBondContact O-N 2.99Å
741I82.7Confident86.3Confident83 Ų8397 Ų9743%0.42648%0.476SS..Hα-helixtrans-67.5-37.3172.4-75.2164.3000110.8L737 K738 T739 K745L737-I741 VanDerWaalsContact O-CB 3.29Å; L737-I741 WeakPolarHBondContact O-CB 3.23Å; L737-I741 WeakPolarHBondContact O-CD1 3.26Å; L737-I741 WeakPolarHBondContact O-CG1 3.4Å; L737-I741 PolarHBondContact O-N 3.39Å; K738-I741 PolarHBondContact O-N 3.27Å; T739-I741 PolarHBondContact O-N 3.41Å; I741-K745 HydrophobicContact CG2-CD 4.03Å; I741-K745 WeakPolarHBondContact O-CB 3.47Å; I741-K745 WeakPolarHBondContact O-CD 3.48Å; I741-K745 WeakPolarHBondContact O-CG 3.39Å; I741-K745 PolarHBondContact O-N 3.35Å
742E86.1Confident85.7Confident126 Ų12697.3 Ų97.359%0.58948%0.477SS*.Hα-helixtrans-67.8-43.4174.6-71.9178.1179.800111.8K738 T739 K745 L746K738-E742 PolarHBondContact O-N 2.88Å; T739-E742 PolarHBondContact O-N 2.85Å; E742-K745 PolarHBondContact O-N 3Å; E742-L746 WeakPolarHBondContact O-CG 3.44Å; E742-L746 PolarHBondContact O-N 3.22Å
743E88.1Confident85.4Confident100 Ų100100.7 Ų100.747%0.46748%0.479SS..Hα-helixtrans-58.8-50.5171.2-71.2177175.200112.3T739 R740 K745 L746 E747T739-E743 WeakPolarHBondContact O-CG 3.4Å; T739-E743 PolarHBondContact O-N 3.08Å; R740-E743 VanDerWaalsContact CD-OE2 3.3Å; R740-E743 WeakPolarHBondContact CD-OE2 3.41Å; R740-E743 IonicContact CZ-OE2 3.84Å; R740-E743 IonicContact NE-OE2 2.75Å; R740-E743 IonicContact NH1-OE2 2.74Å; R740-E743 PolarHBondContact NH1-OE2 3.42Å; E743-K745 VanDerWaalsContact C-N 3.29Å; E743-K745 PolarHBondContact O-N 3.23Å; E743-L746 PolarHBondContact O-N 3.17Å; E743-L746 VanDerWaalsContact O-N 3.14Å; E743-E747 WeakPolarHBondContact O-CB 3.48Å; E743-E747 PolarHBondContact O-N 3.38Å
744L82.2Confident85Confident80 Ų80100.5 Ų100.542%0.41948%0.478SS..Hα-helixtrans-64.9-31.9179.6-75.5170.9000112.4R740 N748R740-L744 HydrophobicContact CG-CD1 4.13Å; R740-L744 HydrophobicContact CG-CG 4.46Å; R740-L744 VanDerWaalsContact O-CB 3.28Å; R740-L744 WeakPolarHBondContact O-CB 3.35Å; R740-L744 VanDerWaalsContact O-CG 3.23Å; R740-L744 WeakPolarHBondContact O-CG 3.23Å; R740-L744 PolarHBondContact O-N 2.99Å; L744-N748 WeakPolarHBondContact O-CB 3.48Å; L744-N748 PolarHBondContact O-N 3.32Å
745K85.5Confident84.8Confident125 Ų125100.7 Ų100.754%0.54348%0.476SS..Hα-helixtrans-65.4-46.4170.6-79.6167.8-179.5172.20111.1I741 E742 E743 E747 N748 D749I741-K745 HydrophobicContact CG2-CD 4.03Å; I741-K745 WeakPolarHBondContact O-CB 3.47Å; I741-K745 WeakPolarHBondContact O-CD 3.48Å; I741-K745 WeakPolarHBondContact O-CG 3.39Å; I741-K745 PolarHBondContact O-N 3.35Å; E742-K745 PolarHBondContact O-N 3Å; E743-K745 VanDerWaalsContact C-N 3.29Å; E743-K745 PolarHBondContact O-N 3.23Å; K745-E747 VanDerWaalsContact C-N 3.34Å; K745-E747 PolarHBondContact O-N 3.24Å; K745-N748 PolarHBondContact O-N 3.04Å; K745-D749 VanDerWaalsContact O-CB 3.28Å; K745-D749 WeakPolarHBondContact O-CB 3.38Å; K745-D749 VanDerWaalsContact O-CG 3.31Å; K745-D749 PolarHBondContact O-N 3.37Å
746L86.6Confident84.4Confident118 Ų118100.4 Ų100.462%0.61848%0.475SS*.Hα-helixtrans-63.1-40.2176.6-70.6169.7000112E742 E743 Y750E742-L746 WeakPolarHBondContact O-CG 3.44Å; E742-L746 PolarHBondContact O-N 3.22Å; E743-L746 PolarHBondContact O-N 3.17Å; E743-L746 VanDerWaalsContact O-N 3.14Å; L746-Y750 VanDerWaalsContact O-CB 3.25Å; L746-Y750 WeakPolarHBondContact O-CB 3.21Å; L746-Y750 PolarHBondContact O-N 3.02Å
747E83.8Confident84.2Confident88 Ų8898.9 Ų98.941%0.41147%0.47SS..Hα-helixtrans-66.5-44.7176.1-169.9-179.1169.700111.5E743 K745 Y750 Q751E743-E747 WeakPolarHBondContact O-CB 3.48Å; E743-E747 PolarHBondContact O-N 3.38Å; K745-E747 VanDerWaalsContact C-N 3.34Å; K745-E747 PolarHBondContact O-N 3.24Å; E747-Y750 PolarHBondContact O-N 2.97Å; E747-Q751 WeakPolarHBondContact O-CG 3.24Å; E747-Q751 PolarHBondContact O-N 2.88Å
748N81.4Confident84Confident88 Ų8898.3 Ų98.347%0.47147%0.467SS..Hα-helixtrans-66.4-44.4177.2-16718000111.6L744 K745 Y750 Q751 L752L744-N748 WeakPolarHBondContact O-CB 3.48Å; L744-N748 PolarHBondContact O-N 3.32Å; K745-N748 PolarHBondContact O-N 3.04Å; N748-Y750 PolarHBondContact O-N 3.45Å; N748-Q751 PolarHBondContact O-N 3.05Å; N748-L752 VanDerWaalsContact O-CB 3.3Å; N748-L752 WeakPolarHBondContact O-CB 3.25Å; N748-L752 VanDerWaalsContact O-CG 3.27Å; N748-L752 WeakPolarHBondContact O-CG 3.27Å; N748-L752 PolarHBondContact O-N 3.02Å
749D83.2Confident83.7Confident81 Ų8199.5 Ų99.543%0.43347%0.47SS..Hα-helixtrans-60.7-29173.7-80-0.1000112.8K745 R753K745-D749 VanDerWaalsContact O-CB 3.28Å; K745-D749 WeakPolarHBondContact O-CB 3.38Å; K745-D749 VanDerWaalsContact O-CG 3.31Å; K745-D749 PolarHBondContact O-N 3.37Å; D749-R753 WeakPolarHBondContact O-CG 3.45Å; D749-R753 PolarHBondContact O-N 3.19Å; D749-R753 PolarHBondContact O-NE 3.3Å
750Y82.9Confident83.3Confident149 Ų149100.4 Ų100.458%0.58447%0.472SS*.Hα-helixtrans-79-44.9174.9179.7-105.5000111.7L746 E747 N748 R753 I754L746-Y750 VanDerWaalsContact O-CB 3.25Å; L746-Y750 WeakPolarHBondContact O-CB 3.21Å; L746-Y750 PolarHBondContact O-N 3.02Å; E747-Y750 PolarHBondContact O-N 2.97Å; N748-Y750 PolarHBondContact O-N 3.45Å; Y750-R753 PolarHBondContact O-N 3.39Å; Y750-I754 HydrophobicContact CD1-CD1 3.95Å; Y750-I754 HydrophobicContact CE1-CD1 3.4Å; Y750-I754 VanDerWaalsContact CE1-CD1 3.4Å; Y750-I754 HydrophobicContact CE1-CG1 4.47Å; Y750-I754 HydrophobicContact CE2-CD1 4.37Å; Y750-I754 PolarHBondContact O-N 2.84Å
751Q78.4Confident83Confident85 Ų85100.4 Ų100.440%0.39748%0.476SS..Hα-helixtrans-64.6-39.1175.1-74.2-155.830.100112.6E747 N748 I754 K755E747-Q751 WeakPolarHBondContact O-CG 3.24Å; E747-Q751 PolarHBondContact O-N 2.88Å; N748-Q751 PolarHBondContact O-N 3.05Å; Q751-I754 PolarHBondContact O-N 2.98Å; Q751-K755 WeakPolarHBondContact O-CB 3.32Å; Q751-K755 WeakPolarHBondContact O-CG 3.44Å; Q751-K755 PolarHBondContact O-N 3.36Å
752L78.4Confident82.8Confident76 Ų76101.6 Ų101.640%0.39848%0.475SS..Hα-helixtrans-59.9-46.4172.9-75.6167.2000110.4N748 I754 K755 D756N748-L752 VanDerWaalsContact O-CB 3.3Å; N748-L752 WeakPolarHBondContact O-CB 3.25Å; N748-L752 VanDerWaalsContact O-CG 3.27Å; N748-L752 WeakPolarHBondContact O-CG 3.27Å; N748-L752 PolarHBondContact O-N 3.02Å; L752-I754 PolarHBondContact O-N 3.42Å; L752-K755 PolarHBondContact O-N 2.73Å; L752-K755 VanDerWaalsContact O-N 3.16Å; L752-D756 WeakPolarHBondContact O-CB 3.24Å; L752-D756 VanDerWaalsContact O-CG 3.27Å; L752-D756 PolarHBondContact O-N 2.74Å
753R84Confident82.6Confident146 Ų146100.3 Ų100.355%0.55147%0.472SS*.Hα-helixtrans-60.5-39.1174.3-85.2178.9-86176.9-11.6113.6D749 Y750 I757D749-R753 WeakPolarHBondContact O-CG 3.45Å; D749-R753 PolarHBondContact O-N 3.19Å; D749-R753 PolarHBondContact O-NE 3.3Å; Y750-R753 PolarHBondContact O-N 3.39Å; R753-I757 WeakPolarHBondContact O-CD1 3.18Å; R753-I757 VanDerWaalsContact O-CG1 3.24Å; R753-I757 WeakPolarHBondContact O-CG1 3.33Å; R753-I757 PolarHBondContact O-N 3.31Å
754I81.4Confident82.4Confident65 Ų65101.6 Ų101.633%0.33348%0.476SS..Hα-helixtrans-65.7-43.8173.9-71.6173.1000111Y750 Q751 L752 I757 N758Y750-I754 HydrophobicContact CD1-CD1 3.95Å; Y750-I754 HydrophobicContact CE1-CD1 3.4Å; Y750-I754 VanDerWaalsContact CE1-CD1 3.4Å; Y750-I754 HydrophobicContact CE1-CG1 4.47Å; Y750-I754 HydrophobicContact CE2-CD1 4.37Å; Y750-I754 PolarHBondContact O-N 2.84Å; Q751-I754 PolarHBondContact O-N 2.98Å; L752-I754 PolarHBondContact O-N 3.42Å; I754-I757 PolarHBondContact O-N 3.06Å; I754-N758 WeakPolarHBondContact O-CB 3.44Å; I754-N758 PolarHBondContact O-N 3.33Å; I754-N758 PolarHBondContact O-ND2 2.79Å
755K80.4Confident82.4Confident94 Ų94102.1 Ų102.141%0.40948%0.476SS..Hα-helixtrans-60.9-46176.1-74.5172.8-176.6173.90110.9Q751 L752 I757 N758 Y759Q751-K755 WeakPolarHBondContact O-CB 3.32Å; Q751-K755 WeakPolarHBondContact O-CG 3.44Å; Q751-K755 PolarHBondContact O-N 3.36Å; L752-K755 PolarHBondContact O-N 2.73Å; L752-K755 VanDerWaalsContact O-N 3.16Å; K755-I757 PolarHBondContact O-N 3.31Å; K755-N758 PolarHBondContact O-N 2.94Å; K755-Y759 HydrophobicContact CB-CD2 4.19Å; K755-Y759 HydrophobicContact CB-CE2 3.95Å; K755-Y759 WeakPolarHBondContact O-CB 3.1Å; K755-Y759 WeakPolarHBondContact O-CD2 3.36Å; K755-Y759 PolarHBondContact O-N 2.88Å
756D82.6Confident82Confident87 Ų8799.1 Ų99.147%0.46547%0.465SS..Hα-helixtrans-60.4-43.4176.7-70.9-18.3000112L752 Y759 N760L752-D756 WeakPolarHBondContact O-CB 3.24Å; L752-D756 VanDerWaalsContact O-CG 3.27Å; L752-D756 PolarHBondContact O-N 2.74Å; D756-Y759 PolarHBondContact O-N 3.26Å; D756-N760 VanDerWaalsContact O-CB 3.3Å; D756-N760 WeakPolarHBondContact O-CB 3.26Å; D756-N760 PolarHBondContact O-N 2.81Å; D756-N760 PolarHBondContact O-ND2 3.36Å
757I85.7Confident81.8Confident97 Ų9796.8 Ų96.850%0.49746%0.456SS..Hα-helixtrans-61-50.5174.6-70.2164.1000110R753 I754 K755 Y759 N760 E761R753-I757 WeakPolarHBondContact O-CD1 3.18Å; R753-I757 VanDerWaalsContact O-CG1 3.24Å; R753-I757 WeakPolarHBondContact O-CG1 3.33Å; R753-I757 PolarHBondContact O-N 3.31Å; I754-I757 PolarHBondContact O-N 3.06Å; K755-I757 PolarHBondContact O-N 3.31Å; I757-Y759 PolarHBondContact O-N 3.1Å; I757-N760 PolarHBondContact O-N 3.22Å; I757-E761 PolarHBondContact O-N 3.37Å
758N83Confident81.8Confident87 Ų8798.1 Ų98.147%0.46546%0.463SS..Hα-helixtrans-61.3-40.4-180-69.4-19.3000112.5I754 K755 R762I754-N758 WeakPolarHBondContact O-CB 3.44Å; I754-N758 PolarHBondContact O-N 3.33Å; I754-N758 PolarHBondContact O-ND2 2.79Å; K755-N758 PolarHBondContact O-N 2.94Å; N758-R762 VanDerWaalsContact O-CB 3.3Å; N758-R762 WeakPolarHBondContact O-CB 3.24Å; N758-R762 PolarHBondContact O-N 2.94Å
759Y81.6Confident82Confident129 Ų12999.5 Ų99.551%0.50647%0.465SS..Hα-helixtrans-68.6-41.5175.9-71.8-53.8000111.5K755 D756 I757 E761 R762 I763K755-Y759 HydrophobicContact CB-CD2 4.19Å; K755-Y759 HydrophobicContact CB-CE2 3.95Å; K755-Y759 WeakPolarHBondContact O-CB 3.1Å; K755-Y759 WeakPolarHBondContact O-CD2 3.36Å; K755-Y759 PolarHBondContact O-N 2.88Å; D756-Y759 PolarHBondContact O-N 3.26Å; I757-Y759 PolarHBondContact O-N 3.1Å; Y759-E761 PolarHBondContact O-N 3.35Å; Y759-R762 WeakPolarHBondContact O-CB 3.09Å; Y759-R762 PolarHBondContact O-N 2.92Å; Y759-I763 WeakPolarHBondContact O-CB 3.48Å; Y759-I763 WeakPolarHBondContact O-CD1 3.41Å; Y759-I763 WeakPolarHBondContact O-CG1 3.21Å; Y759-I763 PolarHBondContact O-N 3.42Å
760N83.2Confident82Confident96 Ų96101.5 Ų101.551%0.51347%0.47SS..Hα-helixtrans-63.3-39.7175.1-81.7-66.2000112.3D756 I757 K764D756-N760 VanDerWaalsContact O-CB 3.3Å; D756-N760 WeakPolarHBondContact O-CB 3.26Å; D756-N760 PolarHBondContact O-N 2.81Å; D756-N760 PolarHBondContact O-ND2 3.36Å; I757-N760 PolarHBondContact O-N 3.22Å; N760-K764 WeakPolarHBondContact O-CG 3.46Å; N760-K764 PolarHBondContact O-N 3.43Å
761E82.8Confident82.1Confident109 Ų10999 Ų9951%0.50947%0.465SS..Hα-helixtrans-65.6-43.9172-71.8-175.6166.900111.5I757 Y759 I763 K764 E765I757-E761 PolarHBondContact O-N 3.37Å; Y759-E761 PolarHBondContact O-N 3.35Å; E761-I763 VanDerWaalsContact C-N 3.32Å; E761-I763 PolarHBondContact O-N 2.91Å; E761-K764 WeakPolarHBondContact O-CB 3.48Å; E761-K764 PolarHBondContact O-N 2.88Å; E761-K764 VanDerWaalsContact O-N 3.14Å; E761-E765 PolarHBondContact O-N 3.18Å
762R78.6Confident82.4Confident107 Ų107100.5 Ų100.540%0.40447%0.472SS..Hα-helixtrans-59.2-41.2175.9-156.976.1178.4174.64112.7N758 Y759 E765 L766N758-R762 VanDerWaalsContact O-CB 3.3Å; N758-R762 WeakPolarHBondContact O-CB 3.24Å; N758-R762 PolarHBondContact O-N 2.94Å; Y759-R762 WeakPolarHBondContact O-CB 3.09Å; Y759-R762 PolarHBondContact O-N 2.92Å; R762-E765 IonicContact NH1-OE2 3.63Å; R762-L766 HydrophobicContact CG-CD1 4.34Å; R762-L766 WeakPolarHBondContact O-CB 3.49Å; R762-L766 VanDerWaalsContact O-CG 3.31Å; R762-L766 WeakPolarHBondContact O-CG 3.38Å; R762-L766 PolarHBondContact O-N 2.83Å
763I81Confident82.6Confident99 Ų99102.3 Ų102.351%0.50848%0.479SS..Hα-helixtrans-66.7-41177.2-70.5163.3000109.9Y759 E761 L766 T767Y759-I763 WeakPolarHBondContact O-CB 3.48Å; Y759-I763 WeakPolarHBondContact O-CD1 3.41Å; Y759-I763 WeakPolarHBondContact O-CG1 3.21Å; Y759-I763 PolarHBondContact O-N 3.42Å; E761-I763 VanDerWaalsContact C-N 3.32Å; E761-I763 PolarHBondContact O-N 2.91Å; I763-L766 PolarHBondContact O-N 3.08Å; I763-T767 HydrophobicContact CG2-CG2 4.5Å; I763-T767 WeakPolarHBondContact O-CB 3.49Å; I763-T767 WeakPolarHBondContact O-CG2 3.48Å; I763-T767 PolarHBondContact O-N 2.73Å; I763-T767 PolarHBondContact O-OG1 3.47Å
764K84.8Confident82.5Confident128 Ų128102 Ų10256%0.55749%0.485SS*.Hα-helixtrans-61.4-49.8173.2-72.3172.6-176.1177.60112.2N760 E761 L766 T767 E768N760-K764 WeakPolarHBondContact O-CG 3.46Å; N760-K764 PolarHBondContact O-N 3.43Å; E761-K764 WeakPolarHBondContact O-CB 3.48Å; E761-K764 PolarHBondContact O-N 2.88Å; E761-K764 VanDerWaalsContact O-N 3.14Å; K764-L766 VanDerWaalsContact C-N 3.32Å; K764-L766 PolarHBondContact O-N 3.24Å; K764-T767 WeakPolarHBondContact CA-OG1 3.45Å; K764-T767 PolarHBondContact O-N 3.39Å; K764-T767 PolarHBondContact O-OG1 3.32Å; K764-T767 VanDerWaalsContact O-OG1 3.05Å; K764-E768 WeakPolarHBondContact O-CB 3.39Å; K764-E768 WeakPolarHBondContact O-CG 3.5Å; K764-E768 PolarHBondContact O-N 2.99Å
765E81.8Confident82.7Confident91 Ų91104.2 Ų104.243%0.42549%0.494SS..Hα-helixtrans-57.4-42.6176.1-71.2-175.6164.800112.9E761 R762 K769E761-E765 PolarHBondContact O-N 3.18Å; R762-E765 IonicContact NH1-OE2 3.63Å; E765-K769 WeakPolarHBondContact O-CB 3.47Å; E765-K769 VanDerWaalsContact O-CG 3.29Å; E765-K769 WeakPolarHBondContact O-CG 3.49Å; E765-K769 PolarHBondContact O-N 2.91Å; E765-K769 VanDerWaalsContact O-N 3.08Å
766L75.8Confident82.8Confident61 Ų61104 Ų10432%0.31950%0.5SS..Hα-helixtrans-69.4-42.3179.1-76.3169.8000111.7R762 I763 K764 K769 F770R762-L766 HydrophobicContact CG-CD1 4.34Å; R762-L766 WeakPolarHBondContact O-CB 3.49Å; R762-L766 VanDerWaalsContact O-CG 3.31Å; R762-L766 WeakPolarHBondContact O-CG 3.38Å; R762-L766 PolarHBondContact O-N 2.83Å; I763-L766 PolarHBondContact O-N 3.08Å; K764-L766 VanDerWaalsContact C-N 3.32Å; K764-L766 PolarHBondContact O-N 3.24Å; L766-K769 PolarHBondContact O-N 3.23Å; L766-F770 WeakPolarHBondContact O-CD2 3.41Å; L766-F770 PolarHBondContact O-N 2.87Å
767T82.6Confident82.8Confident70 Ų70104.7 Ų104.743%0.42950%0.504SS..Hα-helixtrans-66.9-40.517746.30000112.4I763 K764 K769 F770 I771I763-T767 HydrophobicContact CG2-CG2 4.5Å; I763-T767 WeakPolarHBondContact O-CB 3.49Å; I763-T767 WeakPolarHBondContact O-CG2 3.48Å; I763-T767 PolarHBondContact O-N 2.73Å; I763-T767 PolarHBondContact O-OG1 3.47Å; K764-T767 WeakPolarHBondContact CA-OG1 3.45Å; K764-T767 PolarHBondContact O-N 3.39Å; K764-T767 PolarHBondContact O-OG1 3.32Å; K764-T767 VanDerWaalsContact O-OG1 3.05Å; T767-K769 PolarHBondContact O-N 3.28Å; T767-F770 PolarHBondContact O-N 3.18Å; T767-I771 WeakPolarHBondContact O-CB 3.14Å; T767-I771 WeakPolarHBondContact O-CD1 3.5Å; T767-I771 WeakPolarHBondContact O-CG1 3.42Å; T767-I771 PolarHBondContact O-N 2.84Å
768E85Confident82.8Confident116 Ų116106.5 Ų106.554%0.54251%0.508SS..Hα-helixtrans-60.7-43172.1-75.9-178.2-173.500112.1K764 I771 Q772K764-E768 WeakPolarHBondContact O-CB 3.39Å; K764-E768 WeakPolarHBondContact O-CG 3.5Å; K764-E768 PolarHBondContact O-N 2.99Å; E768-I771 PolarHBondContact O-N 3.15Å; E768-Q772 WeakPolarHBondContact O-CG 3.35Å; E768-Q772 PolarHBondContact O-N 3.25Å
769K85.7Confident82.9Confident117 Ų117106.8 Ų106.851%0.50951%0.51SS..Hα-helixtrans-62.6-46.9175.1-76.6169.4-177.3167.30112.3E765 L766 T767 I771 Q772 E773E765-K769 WeakPolarHBondContact O-CB 3.47Å; E765-K769 VanDerWaalsContact O-CG 3.29Å; E765-K769 WeakPolarHBondContact O-CG 3.49Å; E765-K769 PolarHBondContact O-N 2.91Å; E765-K769 VanDerWaalsContact O-N 3.08Å; L766-K769 PolarHBondContact O-N 3.23Å; T767-K769 PolarHBondContact O-N 3.28Å; K769-I771 VanDerWaalsContact C-N 3.3Å; K769-I771 PolarHBondContact O-N 2.96Å; K769-Q772 PolarHBondContact O-N 3.46Å; K769-E773 PolarHBondContact O-N 3.17Å
770F81.9Confident83.1Confident123 Ų123107.1 Ų107.154%0.53951%0.514SS..Hα-helixtrans-63.6-34.7176.6-75.7-54.6000112.5L766 T767 M774L766-F770 WeakPolarHBondContact O-CD2 3.41Å; L766-F770 PolarHBondContact O-N 2.87Å; T767-F770 PolarHBondContact O-N 3.18Å; F770-M774 WeakPolarHBondContact O-CB 3.26Å; F770-M774 WeakPolarHBondContact O-CG 3.23Å; F770-M774 PolarHBondContact O-N 3.25Å
771I86.2Confident82.8Confident96 Ų96107.6 Ų107.649%0.49252%0.516SS..Hα-helixtrans-64.7-46.7173.1-70.5163.4000110.4T767 E768 K769 E773 M774 E775T767-I771 WeakPolarHBondContact O-CB 3.14Å; T767-I771 WeakPolarHBondContact O-CD1 3.5Å; T767-I771 WeakPolarHBondContact O-CG1 3.42Å; T767-I771 PolarHBondContact O-N 2.84Å; E768-I771 PolarHBondContact O-N 3.15Å; K769-I771 VanDerWaalsContact C-N 3.3Å; K769-I771 PolarHBondContact O-N 2.96Å; I771-E773 PolarHBondContact O-N 3.03Å; I771-M774 PolarHBondContact O-N 3.37Å; I771-E775 WeakPolarHBondContact O-CB 3.45Å; I771-E775 WeakPolarHBondContact O-CG 3.15Å; I771-E775 PolarHBondContact O-N 3.47Å
772Q84.2Confident82.8Confident116 Ų116107.3 Ų107.354%0.54252%0.515SS..Hα-helixtrans-62.6-39.9176.8-70.5172.916.300112.6E768 K769 E775 T776E768-Q772 WeakPolarHBondContact O-CG 3.35Å; E768-Q772 PolarHBondContact O-N 3.25Å; K769-Q772 PolarHBondContact O-N 3.46Å; Q772-E775 PolarHBondContact O-N 2.92Å; Q772-T776 WeakPolarHBondContact O-CG2 3.27Å; Q772-T776 PolarHBondContact O-N 2.88Å; Q772-T776 PolarHBondContact O-OG1 3.18Å
773E82.9Confident83.1Confident115 Ų115107.9 Ų107.954%0.53753%0.525SS..Hα-helixtrans-67-41.7174.2-73.8-173.5176.700112K769 I771 E775 T776 L777K769-E773 PolarHBondContact O-N 3.17Å; I771-E773 PolarHBondContact O-N 3.03Å; E773-E775 PolarHBondContact O-N 3.2Å; E773-T776 WeakPolarHBondContact CA-OG1 3.28Å; E773-T776 PolarHBondContact O-N 2.82Å; E773-T776 PolarHBondContact O-OG1 2.86Å; E773-L777 VanDerWaalsContact O-CB 3.3Å; E773-L777 WeakPolarHBondContact O-CB 3.27Å; E773-L777 VanDerWaalsContact O-CG 3.31Å; E773-L777 WeakPolarHBondContact O-CG 3.18Å; E773-L777 PolarHBondContact O-N 2.96Å
774M81.6Confident83.1Confident140 Ų140107.5 Ų107.569%0.6952%0.524SS*.Hα-helixtrans-62.4-40.5172.8-78.7-164.974.800112.3F770 I771 K778F770-M774 WeakPolarHBondContact O-CB 3.26Å; F770-M774 WeakPolarHBondContact O-CG 3.23Å; F770-M774 PolarHBondContact O-N 3.25Å; I771-M774 PolarHBondContact O-N 3.37Å; M774-K778 WeakPolarHBondContact O-CB 3.45Å; M774-K778 PolarHBondContact O-N 3.23Å
775E84.6Confident83Confident111 Ų111105.3 Ų105.352%0.51951%0.514SS..Hα-helixtrans-67.6-44177.2-75.7-171.3160.700112.4I771 Q772 E773 K778 N779I771-E775 WeakPolarHBondContact O-CB 3.45Å; I771-E775 WeakPolarHBondContact O-CG 3.15Å; I771-E775 PolarHBondContact O-N 3.47Å; Q772-E775 PolarHBondContact O-N 2.92Å; E773-E775 PolarHBondContact O-N 3.2Å; E775-K778 PolarHBondContact O-N 2.8Å; E775-N779 WeakPolarHBondContact O-CB 3.5Å; E775-N779 PolarHBondContact O-N 3.48Å; E775-N779 PolarHBondContact O-ND2 3.19Å
776T83.7Confident83.1Confident88 Ų88106.2 Ų106.254%0.5452%0.521SS..Hα-helixtrans-65.5-39.9176.2520000112.1Q772 E773 K780Q772-T776 WeakPolarHBondContact O-CG2 3.27Å; Q772-T776 PolarHBondContact O-N 2.88Å; Q772-T776 PolarHBondContact O-OG1 3.18Å; E773-T776 WeakPolarHBondContact CA-OG1 3.28Å; E773-T776 PolarHBondContact O-N 2.82Å; E773-T776 PolarHBondContact O-OG1 2.86Å; T776-K780 VanDerWaalsContact O-CB 3.32Å; T776-K780 WeakPolarHBondContact O-CB 3.47Å; T776-K780 PolarHBondContact O-N 3.47Å
777L82Confident83.5Confident103 Ų103108.3 Ų108.354%0.53953%0.53SS..Hα-helixtrans-66.4-36.6172.6-75.5169.4000112.9E773 N781E773-L777 VanDerWaalsContact O-CB 3.3Å; E773-L777 WeakPolarHBondContact O-CB 3.27Å; E773-L777 VanDerWaalsContact O-CG 3.31Å; E773-L777 WeakPolarHBondContact O-CG 3.18Å; E773-L777 PolarHBondContact O-N 2.96Å; L777-N781 WeakPolarHBondContact O-CB 3.13Å; L777-N781 PolarHBondContact O-N 3.18Å; L777-N781 PolarHBondContact O-ND2 3.42Å
778K86.1Confident83.7Confident134 Ų134110.4 Ų110.458%0.58353%0.533SS*.Hα-helixtrans-67-45.5175.5-176.1179.4179.7-174.40111.2M774 E775 N781 Q782M774-K778 WeakPolarHBondContact O-CB 3.45Å; M774-K778 PolarHBondContact O-N 3.23Å; E775-K778 PolarHBondContact O-N 2.8Å; K778-N781 PolarHBondContact O-N 2.93Å; K778-Q782 WeakPolarHBondContact O-CG 3.38Å; K778-Q782 PolarHBondContact O-N 3.45Å
779N85.4Confident83.7Confident93 Ų93106.4 Ų106.450%0.49752%0.515SS..Hα-helixtrans-62.2-44.6174.8-70-17.9000111.1E775 N781 Q782 L783E775-N779 WeakPolarHBondContact O-CB 3.5Å; E775-N779 PolarHBondContact O-N 3.48Å; E775-N779 PolarHBondContact O-ND2 3.19Å; N779-N781 PolarHBondContact O-N 2.86Å; N779-Q782 PolarHBondContact O-N 3.27Å; N779-L783 WeakPolarHBondContact O-CB 3.25Å; N779-L783 PolarHBondContact O-N 3.19Å
780K84.4Confident83.6Confident137 Ų137105.3 Ų105.360%0.59652%0.515SS*.Hα-helixtrans-62.4-41.6176.3-169.8174.6-176.5178.10112.3T776 L783 L784T776-K780 VanDerWaalsContact O-CB 3.32Å; T776-K780 WeakPolarHBondContact O-CB 3.47Å; T776-K780 PolarHBondContact O-N 3.47Å; K780-L783 PolarHBondContact O-N 2.74Å; K780-L784 HydrophobicContact CG-CD1 4.3Å; K780-L784 WeakPolarHBondContact O-CG 3.33Å; K780-L784 PolarHBondContact O-N 2.89Å
781N77.7Confident83.6Confident106 Ų106102.9 Ų102.957%0.56751%0.507SS*.Hα-helixtrans-63.4-41.9173.3-90.9-65.7000112.3L777 K778 N779 L783 K785L777-N781 WeakPolarHBondContact O-CB 3.13Å; L777-N781 PolarHBondContact O-N 3.18Å; L777-N781 PolarHBondContact O-ND2 3.42Å; K778-N781 PolarHBondContact O-N 2.93Å; N779-N781 PolarHBondContact O-N 2.86Å; N781-L783 VanDerWaalsContact C-N 3.34Å; N781-L783 PolarHBondContact O-N 3.4Å; N781-K785 WeakPolarHBondContact O-CB 3.28Å; N781-K785 PolarHBondContact O-N 2.73Å
782Q83.4Confident83.3Confident102 Ų102103.4 Ų103.448%0.47751%0.508SS..Hα-helixtrans-62.7-40.1174.9-74.8178.3-15.500112.1K778 N779 K785 L786K778-Q782 WeakPolarHBondContact O-CG 3.38Å; K778-Q782 PolarHBondContact O-N 3.45Å; N779-Q782 PolarHBondContact O-N 3.27Å; Q782-K785 WeakPolarHBondContact O-CB 3.33Å; Q782-K785 PolarHBondContact O-N 2.95Å; Q782-L786 WeakPolarHBondContact O-CG 3.29Å; Q782-L786 PolarHBondContact O-N 3.41Å
783L84.4Confident83.3Confident119 Ų119100.2 Ų100.262%0.62349%0.494SS*.Hα-helixtrans-65.8-46.5178.3-132.1160.9000111.8N779 K780 N781 K785 L786 E787N779-L783 WeakPolarHBondContact O-CB 3.25Å; N779-L783 PolarHBondContact O-N 3.19Å; K780-L783 PolarHBondContact O-N 2.74Å; N781-L783 VanDerWaalsContact C-N 3.34Å; N781-L783 PolarHBondContact O-N 3.4Å; L783-K785 VanDerWaalsContact C-N 3.26Å; L783-K785 PolarHBondContact O-N 3.45Å; L783-L786 PolarHBondContact O-N 3.11Å; L783-E787 WeakPolarHBondContact O-CB 3.21Å; L783-E787 PolarHBondContact O-N 3.08Å
784L81Confident83.4Confident92 Ų9298.7 Ų98.748%0.48249%0.49SS..Hα-helixtrans-61.4-33.8173.8-72.5167.9000112.6K780 K788K780-L784 HydrophobicContact CG-CD1 4.3Å; K780-L784 WeakPolarHBondContact O-CG 3.33Å; K780-L784 PolarHBondContact O-N 2.89Å; L784-K788 WeakPolarHBondContact O-CB 3.35Å; L784-K788 PolarHBondContact O-N 3.02Å
785K83.5Confident83.4Confident82 Ų8299.7 Ų99.736%0.35749%0.487SS..Hα-helixtrans-70.2-43.5177.3-161.1176.1-166.4-173.50111.5N781 Q782 L783 K788 D789 A1333N781-K785 WeakPolarHBondContact O-CB 3.28Å; N781-K785 PolarHBondContact O-N 2.73Å; Q782-K785 WeakPolarHBondContact O-CB 3.33Å; Q782-K785 PolarHBondContact O-N 2.95Å; L783-K785 VanDerWaalsContact C-N 3.26Å; L783-K785 PolarHBondContact O-N 3.45Å; K785-K788 PolarHBondContact O-N 3.27Å; K785-D789 WeakPolarHBondContact O-CB 3.45Å; K785-D789 PolarHBondContact O-N 2.85Å; K785-A1333 HydrophobicContact CD-CB 4.46Å; K785-A1333 WeakPolarHBondContact CE-O 3.25Å; K785-A1333 WeakPolarHBondContact CE-OXT 3.3Å; K785-A1333 PolarHBondContact NZ-O 2.98Å; K785-A1333 PolarHBondContact NZ-OXT 2.89Å
786L84Confident83.3Confident109 Ų10997.7 Ų97.757%0.57148%0.48SS*.Hα-helixtrans-63.8-40.3172-74.1167.3000112.2Q782 L783 D789 N790Q782-L786 WeakPolarHBondContact O-CG 3.29Å; Q782-L786 PolarHBondContact O-N 3.41Å; L783-L786 PolarHBondContact O-N 3.11Å; L786-D789 PolarHBondContact O-N 2.8Å; L786-N790 VanDerWaalsContact O-CB 3.31Å; L786-N790 WeakPolarHBondContact O-CB 3.26Å; L786-N790 VanDerWaalsContact O-CG 3.29Å; L786-N790 PolarHBondContact O-N 2.83Å; L786-N790 PolarHBondContact O-ND2 3.25Å
787E83Confident83.3Confident105 Ų10597.2 Ų97.249%0.49147%0.474SS..Hα-helixtrans-65.9-42.5177.1-172.7175.1-164.400111.8L783 N790 N791L783-E787 WeakPolarHBondContact O-CB 3.21Å; L783-E787 PolarHBondContact O-N 3.08Å; E787-N790 PolarHBondContact O-N 3Å; E787-N791 WeakPolarHBondContact O-CB 3.22Å; E787-N791 VanDerWaalsContact O-CG 3.31Å; E787-N791 PolarHBondContact O-N 3.43Å; E787-N791 PolarHBondContact O-ND2 2.66Å; E787-N791 VanDerWaalsContact O-ND2 3.13Å
788K87.4Confident83.3Confident115 Ų11597.9 Ų97.950%0.547%0.474SS..Hα-helixtrans-58-50.2171.2178.6-158.5160.6-154.70111.5L784 K785 N790 N791 Q792L784-K788 WeakPolarHBondContact O-CB 3.35Å; L784-K788 PolarHBondContact O-N 3.02Å; K785-K788 PolarHBondContact O-N 3.27Å; K788-N790 PolarHBondContact O-N 3.5Å; K788-N791 PolarHBondContact O-N 3.03Å; K788-Q792 WeakPolarHBondContact O-CB 3.39Å; K788-Q792 PolarHBondContact O-N 3.31Å
789D84.4Confident83.1Confident31 Ų3196.5 Ų96.517%0.16647%0.473CS..Hα-helixtrans-65.8-38.3-177.8-76.39.9000111.4K785 L786 Q792 L793 S1332K785-D789 WeakPolarHBondContact O-CB 3.45Å; K785-D789 PolarHBondContact O-N 2.85Å; L786-D789 PolarHBondContact O-N 2.8Å; D789-Q792 PolarHBondContact O-N 2.82Å; D789-L793 WeakPolarHBondContact O-CB 3.15Å; D789-L793 PolarHBondContact O-N 3.16Å; D789-S1332 VanDerWaalsContact OD2-C 3.3Å; D789-S1332 PolarHBondContact OD2-N 2.81Å
790N84.6Confident83Confident94 Ų9496.1 Ų96.150%0.50347%0.471SS..Hα-helixtrans-62.6-44.1172-80.4-28.2000112.4L786 E787 K788 Q792 L793 N794L786-N790 VanDerWaalsContact O-CB 3.31Å; L786-N790 WeakPolarHBondContact O-CB 3.26Å; L786-N790 VanDerWaalsContact O-CG 3.29Å; L786-N790 PolarHBondContact O-N 2.83Å; L786-N790 PolarHBondContact O-ND2 3.25Å; E787-N790 PolarHBondContact O-N 3Å; K788-N790 PolarHBondContact O-N 3.5Å; N790-Q792 VanDerWaalsContact C-N 3.34Å; N790-Q792 PolarHBondContact O-N 3.08Å; N790-L793 WeakPolarHBondContact O-CB 3.4Å; N790-L793 PolarHBondContact O-N 3.09Å; N790-N794 WeakPolarHBondContact O-CB 3.39Å; N790-N794 PolarHBondContact O-N 3.07Å; N790-N794 PolarHBondContact O-ND2 3.09Å
791N81.9Confident82.9Confident72 Ų7295 Ų9539%0.38547%0.468SS..Hα-helixtrans-63.4-41.3175.6-75.7-35.1000111.2E787 K788 L793 N794 Y795E787-N791 WeakPolarHBondContact O-CB 3.22Å; E787-N791 VanDerWaalsContact O-CG 3.31Å; E787-N791 PolarHBondContact O-N 3.43Å; E787-N791 PolarHBondContact O-ND2 2.66Å; E787-N791 VanDerWaalsContact O-ND2 3.13Å; K788-N791 PolarHBondContact O-N 3.03Å; N791-L793 VanDerWaalsContact C-N 3.33Å; N791-L793 PolarHBondContact O-N 2.62Å; N791-N794 PolarHBondContact O-N 2.98Å; N791-Y795 HydrophobicContact CB-CE2 4.43Å; N791-Y795 WeakPolarHBondContact O-CD2 3.49Å; N791-Y795 PolarHBondContact O-N 3.12Å
792Q79Confident83.1Confident107 Ų10795 Ų9550%0.547%0.467SS..Hα-helixtrans-64.9-34.9174.5-171.6169.8-600112.5K788 D789 N790 N796K788-Q792 WeakPolarHBondContact O-CB 3.39Å; K788-Q792 PolarHBondContact O-N 3.31Å; D789-Q792 PolarHBondContact O-N 2.82Å; N790-Q792 VanDerWaalsContact C-N 3.34Å; N790-Q792 PolarHBondContact O-N 3.08Å; Q792-N796 PolarHBondContact O-N 2.9Å; Q792-N796 PolarHBondContact O-ND2 3.46Å
793L84.9Confident83.1Confident49 Ų4994.4 Ų94.426%0.25747%0.467SS..Hα-helixtrans-66.2-45.4172.3-162.686.9000111.3D789 N790 N791 Y795 N796 N797 F1330D789-L793 WeakPolarHBondContact O-CB 3.15Å; D789-L793 PolarHBondContact O-N 3.16Å; N790-L793 WeakPolarHBondContact O-CB 3.4Å; N790-L793 PolarHBondContact O-N 3.09Å; N791-L793 VanDerWaalsContact C-N 3.33Å; N791-L793 PolarHBondContact O-N 2.62Å; L793-Y795 PolarHBondContact O-N 3.34Å; L793-N796 PolarHBondContact O-N 2.83Å; L793-N797 WeakPolarHBondContact O-CB 3.39Å; L793-N797 VanDerWaalsContact O-CG 3.24Å; L793-N797 PolarHBondContact O-N 3.05Å; L793-N797 PolarHBondContact O-ND2 3.26Å; L793-F1330 HydrophobicContact CD1-CD1 3.89Å; L793-F1330 HydrophobicContact CD1-CD2 4.15Å; L793-F1330 HydrophobicContact CD1-CE1 3.61Å; L793-F1330 HydrophobicContact CD1-CE2 3.87Å; L793-F1330 HydrophobicContact CD1-CG 4.16Å; L793-F1330 HydrophobicContact CD1-CZ 3.58Å
794N84.6Confident83Confident83 Ų8393.3 Ų93.344%0.44446%0.461SS..Hα-helixtrans-61-45.1179.4-75.2-22.5000112.2N790 N791 N796 N797 Q798N790-N794 WeakPolarHBondContact O-CB 3.39Å; N790-N794 PolarHBondContact O-N 3.07Å; N790-N794 PolarHBondContact O-ND2 3.09Å; N791-N794 PolarHBondContact O-N 2.98Å; N794-N796 PolarHBondContact O-N 3.46Å; N794-N797 PolarHBondContact O-N 3.33Å; N794-Q798 WeakPolarHBondContact O-CG 3.35Å; N794-Q798 PolarHBondContact O-N 2.7Å
795Y81.5Confident83.2Confident161 Ų16194.7 Ų94.763%0.63146%0.463SS*.Hα-helixtrans-64.3-39.1175.7-68.8-55.4000112.6N791 L793 Q798 L799N791-Y795 HydrophobicContact CB-CE2 4.43Å; N791-Y795 WeakPolarHBondContact O-CD2 3.49Å; N791-Y795 PolarHBondContact O-N 3.12Å; L793-Y795 PolarHBondContact O-N 3.34Å; Y795-Q798 PolarHBondContact O-N 2.88Å; Y795-L799 WeakPolarHBondContact O-CB 3.41Å; Y795-L799 PolarHBondContact O-N 3.39Å
796N83Confident83.2Confident70 Ų7095.7 Ų95.737%0.37447%0.469SS..Hα-helixtrans-65.4-38.8173.9-79.7-49.5000112.5Q792 L793 N794 L799 N800Q792-N796 PolarHBondContact O-N 2.9Å; Q792-N796 PolarHBondContact O-ND2 3.46Å; L793-N796 PolarHBondContact O-N 2.83Å; N794-N796 PolarHBondContact O-N 3.46Å; N796-L799 PolarHBondContact O-N 3.32Å; N796-N800 WeakPolarHBondContact O-CB 3.39Å; N796-N800 PolarHBondContact O-N 3.18Å; N796-N800 PolarHBondContact O-ND2 3.14Å
797N83.2Confident83.1Confident77 Ų7794.6 Ų94.641%0.41246%0.464SS..Hα-helixtrans-65.6-44.9176.5-71.4-20.1000111.3L793 N794 L799 N800 E801L793-N797 WeakPolarHBondContact O-CB 3.39Å; L793-N797 VanDerWaalsContact O-CG 3.24Å; L793-N797 PolarHBondContact O-N 3.05Å; L793-N797 PolarHBondContact O-ND2 3.26Å; N794-N797 PolarHBondContact O-N 3.33Å; N797-L799 VanDerWaalsContact C-N 3.34Å; N797-L799 PolarHBondContact O-N 2.62Å; N797-N800 PolarHBondContact O-N 3.28Å; N797-E801 PolarHBondContact O-N 2.63Å
798Q82.6Confident83.1Confident118 Ų11893.6 Ų93.655%0.55146%0.462SS*.Hα-helixtrans-60.4-41.5175.1-72.7174.6-2.200112.1N794 Y795 E801 L802N794-Q798 WeakPolarHBondContact O-CG 3.35Å; N794-Q798 PolarHBondContact O-N 2.7Å; Y795-Q798 PolarHBondContact O-N 2.88Å; Q798-E801 PolarHBondContact O-N 2.99Å; Q798-L802 WeakPolarHBondContact O-CB 3.11Å; Q798-L802 PolarHBondContact O-N 2.85Å
799L81.2Confident82.7Confident104 Ų10493.5 Ų93.555%0.54546%0.463SS..Hα-helixtrans-63.2-43.8175.9-168.372000111.7Y795 N796 N797 L802 L803Y795-L799 WeakPolarHBondContact O-CB 3.41Å; Y795-L799 PolarHBondContact O-N 3.39Å; N796-L799 PolarHBondContact O-N 3.32Å; N797-L799 VanDerWaalsContact C-N 3.34Å; N797-L799 PolarHBondContact O-N 2.62Å; L799-L802 PolarHBondContact O-N 3.29Å; L799-L803 HydrophobicContact CG-CD1 4.5Å; L799-L803 PolarHBondContact O-N 2.72Å
800N82.9Confident82.5Confident85 Ų8596.3 Ų96.346%0.45548%0.478SS..Hα-helixtrans-67.4-38.5177-77.7-29.2000112.9N796 N797 L802 L803 N804N796-N800 WeakPolarHBondContact O-CB 3.39Å; N796-N800 PolarHBondContact O-N 3.18Å; N796-N800 PolarHBondContact O-ND2 3.14Å; N797-N800 PolarHBondContact O-N 3.28Å; N800-L802 VanDerWaalsContact C-N 3.33Å; N800-L803 PolarHBondContact O-N 3.49Å; N800-N804 WeakPolarHBondContact O-CB 3.44Å; N800-N804 PolarHBondContact O-N 2.87Å; N800-N804 PolarHBondContact O-ND2 3.03Å
801E82.8Confident82.3Confident114 Ų11497.1 Ų97.153%0.53348%0.478SS..Hα-helixtrans-62.3-41172.9-79.4-167.1-178.400111.9N797 Q798 N804 K805N797-E801 PolarHBondContact O-N 2.63Å; Q798-E801 PolarHBondContact O-N 2.99Å; E801-N804 PolarHBondContact O-N 2.96Å; E801-K805 WeakPolarHBondContact O-CB 3.11Å; E801-K805 WeakPolarHBondContact O-CG 3.19Å; E801-K805 PolarHBondContact O-N 2.93Å; E801-K805 IonicContact OE2-NZ 2.82Å
802L81.3Confident82.1Confident105 Ų105100 Ų10055%0.5549%0.489SS..Hα-helixtrans-69.7-37.1-179.1-161.3145.5000111.6Q798 L799 N800 H806Q798-L802 WeakPolarHBondContact O-CB 3.11Å; Q798-L802 PolarHBondContact O-N 2.85Å; L799-L802 PolarHBondContact O-N 3.29Å; N800-L802 VanDerWaalsContact C-N 3.33Å; L802-H806 PolarHBondContact O-N 2.78Å; L802-H806 PolarHBondContact O-ND1 2.83Å
803L83.2Confident82.1Confident91 Ų91100.9 Ų100.948%0.47650%0.497SS..Hα-helixtrans-64.3-44.9169.1-81.4163.9000112.6L799 N800 K805 H806 N807L799-L803 HydrophobicContact CG-CD1 4.5Å; L799-L803 PolarHBondContact O-N 2.72Å; N800-L803 PolarHBondContact O-N 3.49Å; L803-K805 PolarHBondContact O-N 3.35Å; L803-H806 PolarHBondContact O-N 3.36Å; L803-N807 PolarHBondContact O-N 3.24Å
804N83.8Confident81.6Confident95 Ų95104.2 Ų104.251%0.50851%0.511SS..Hα-helixtrans-66.1-36.7178.7-79.2-20.8000112.4N800 E801 N807 N808N800-N804 WeakPolarHBondContact O-CB 3.44Å; N800-N804 PolarHBondContact O-N 2.87Å; N800-N804 PolarHBondContact O-ND2 3.03Å; E801-N804 PolarHBondContact O-N 2.96Å; N804-N807 PolarHBondContact O-N 3.03Å; N804-N808 WeakPolarHBondContact O-CB 3.36Å; N804-N808 VanDerWaalsContact O-CG 3.22Å; N804-N808 PolarHBondContact O-N 3.29Å; N804-N808 PolarHBondContact O-ND2 3.41Å
805K84Confident81.5Confident121 Ų121105.8 Ų105.853%0.52652%0.519SS..Hα-helixtrans-61-49.1172.6-76.7169.8-178164.50111.3E801 L803 N807 N808 E809E801-K805 WeakPolarHBondContact O-CB 3.11Å; E801-K805 WeakPolarHBondContact O-CG 3.19Å; E801-K805 PolarHBondContact O-N 2.93Å; E801-K805 IonicContact OE2-NZ 2.82Å; L803-K805 PolarHBondContact O-N 3.35Å; K805-N807 PolarHBondContact O-N 2.78Å; K805-N808 PolarHBondContact O-N 3.26Å; K805-E809 WeakPolarHBondContact O-CG 3.49Å; K805-E809 PolarHBondContact O-N 3.13Å
806H82.9Confident81.5Confident104 Ų104102.6 Ų102.648%0.48151%0.512SS..Hα-helixtrans-59.6-44.2175.8-79.779.6000112.5L802 L803 N808 E809 I810L802-H806 PolarHBondContact O-N 2.78Å; L802-H806 PolarHBondContact O-ND1 2.83Å; L803-H806 PolarHBondContact O-N 3.36Å; H806-N808 PolarHBondContact O-N 3.25Å; H806-E809 PolarHBondContact O-N 2.81Å; H806-I810 WeakPolarHBondContact O-CD1 3.38Å; H806-I810 VanDerWaalsContact O-CG1 3.28Å; H806-I810 WeakPolarHBondContact O-CG1 3.49Å; H806-I810 PolarHBondContact O-N 3.45Å
807N83.7Confident81.1Confident85 Ų85102.9 Ų102.946%0.45552%0.52SS..Hα-helixtrans-62.8-40.9176.5-80.5-28.2000112.5L803 N804 K805 I810 Q811L803-N807 PolarHBondContact O-N 3.24Å; N804-N807 PolarHBondContact O-N 3.03Å; K805-N807 PolarHBondContact O-N 2.78Å; N807-I810 PolarHBondContact O-N 3.37Å; N807-Q811 WeakPolarHBondContact O-CG 3.4Å; N807-Q811 PolarHBondContact O-N 2.74Å
808N82.3Confident80.9Confident85 Ų85103.9 Ų103.946%0.45553%0.525SS..Hα-helixtrans-66.6-40.2177-75.1-15.1000112.2N804 K805 H806 Q811 Q812N804-N808 WeakPolarHBondContact O-CB 3.36Å; N804-N808 VanDerWaalsContact O-CG 3.22Å; N804-N808 PolarHBondContact O-N 3.29Å; N804-N808 PolarHBondContact O-ND2 3.41Å; K805-N808 PolarHBondContact O-N 3.26Å; H806-N808 PolarHBondContact O-N 3.25Å; N808-Q811 PolarHBondContact O-N 2.99Å; N808-Q812 WeakPolarHBondContact O-CB 3.33Å; N808-Q812 WeakPolarHBondContact O-CG 3.47Å; N808-Q812 PolarHBondContact O-N 2.85Å
809E78.3Confident80.6Confident112 Ų112103.8 Ų103.852%0.52353%0.525SS..Hα-helixtrans-62.5-42.4175.1-74.3172.9-170.900111.6K805 H806 Q812 L813K805-E809 WeakPolarHBondContact O-CG 3.49Å; K805-E809 PolarHBondContact O-N 3.13Å; H806-E809 PolarHBondContact O-N 2.81Å; E809-Q812 PolarHBondContact O-N 2.82Å; E809-L813 WeakPolarHBondContact O-CG 3.45Å; E809-L813 PolarHBondContact O-N 3.45Å
810I81.3Confident80.6Confident91 Ų91105.6 Ų105.647%0.46753%0.528SS..Hα-helixtrans-61.7-45.8174.4-68.2164.8000111.1H806 N807 L813 Q814H806-I810 WeakPolarHBondContact O-CD1 3.38Å; H806-I810 VanDerWaalsContact O-CG1 3.28Å; H806-I810 WeakPolarHBondContact O-CG1 3.49Å; H806-I810 PolarHBondContact O-N 3.45Å; N807-I810 PolarHBondContact O-N 3.37Å; I810-L813 PolarHBondContact O-N 2.94Å; I810-Q814 WeakPolarHBondContact O-CG 3.46Å; I810-Q814 PolarHBondContact O-N 3.44Å; I810-Q814 VanDerWaalsContact O-N 3.11Å
811Q79Confident80.2Confident111 Ų111107.6 Ų107.652%0.51954%0.538SS..Hα-helixtrans-65.7-39.8177.3-74.6-1762.900112.6N807 N808 Q814 L815N807-Q811 WeakPolarHBondContact O-CG 3.4Å; N807-Q811 PolarHBondContact O-N 2.74Å; N808-Q811 PolarHBondContact O-N 2.99Å; Q811-Q814 PolarHBondContact O-N 2.83Å; Q811-L815 WeakPolarHBondContact O-CB 3.4Å; Q811-L815 WeakPolarHBondContact O-CG 3.4Å; Q811-L815 PolarHBondContact O-N 2.86Å
812Q78.8Confident80Confident131 Ų131106.7 Ų106.761%0.61254%0.536SS*.Hα-helixtrans-62.9-43.5176-77.3-176.113.200111.4N808 E809 Q814 L815 L816N808-Q812 WeakPolarHBondContact O-CB 3.33Å; N808-Q812 WeakPolarHBondContact O-CG 3.47Å; N808-Q812 PolarHBondContact O-N 2.85Å; E809-Q812 PolarHBondContact O-N 2.82Å; Q812-Q814 VanDerWaalsContact C-N 3.32Å; Q812-Q814 PolarHBondContact O-N 2.73Å; Q812-L815 PolarHBondContact O-N 2.64Å; Q812-L816 WeakPolarHBondContact O-CB 3.41Å; Q812-L816 PolarHBondContact O-N 3.07Å
813L78.8Confident79.9Confident126 Ų126105.8 Ų105.866%0.6653%0.532SS*.Hα-helixtrans-60.6-40.1175.2-74.9166.2000112.3E809 I810 S817E809-L813 WeakPolarHBondContact O-CG 3.45Å; E809-L813 PolarHBondContact O-N 3.45Å; I810-L813 PolarHBondContact O-N 2.94Å; L813-S817 WeakPolarHBondContact O-CB 3.44Å; L813-S817 PolarHBondContact O-N 2.9Å; L813-S817 VanDerWaalsContact O-N 3.12Å
814Q75Confident79.4Confident120 Ų120107.6 Ų107.656%0.56154%0.538SS*.Hα-helixtrans-65-45.5174.1-73179.6-15.200112.4I810 Q811 Q812 S817 N818I810-Q814 WeakPolarHBondContact O-CG 3.46Å; I810-Q814 PolarHBondContact O-N 3.44Å; I810-Q814 VanDerWaalsContact O-N 3.11Å; Q811-Q814 PolarHBondContact O-N 2.83Å; Q812-Q814 VanDerWaalsContact C-N 3.32Å; Q812-Q814 PolarHBondContact O-N 2.73Å; Q814-S817 WeakPolarHBondContact O-CB 3.46Å; Q814-S817 PolarHBondContact O-N 3.38Å; Q814-N818 PolarHBondContact O-N 3.4Å
815L81.4Confident79.2Confident115 Ų115110.2 Ų110.260%0.60254%0.541SS*.Hα-helixtrans-62.5-43.8177.6-75.5167.8000112Q811 Q812 S817 N818 Q819Q811-L815 WeakPolarHBondContact O-CB 3.4Å; Q811-L815 WeakPolarHBondContact O-CG 3.4Å; Q811-L815 PolarHBondContact O-N 2.86Å; Q812-L815 PolarHBondContact O-N 2.64Å; L815-S817 VanDerWaalsContact C-N 3.28Å; L815-S817 PolarHBondContact O-N 3.01Å; L815-N818 PolarHBondContact O-N 2.75Å; L815-Q819 WeakPolarHBondContact O-CB 3.42Å; L815-Q819 PolarHBondContact O-N 2.89Å
816L83Confident78.9Confident95 Ų95108.1 Ų108.150%0.49754%0.536SS..Hα-helixtrans-63.6-34.4177.7-122.9158.8000112.2Q812 K820Q812-L816 WeakPolarHBondContact O-CB 3.41Å; Q812-L816 PolarHBondContact O-N 3.07Å; L816-K820 WeakPolarHBondContact O-CG 3.24Å; L816-K820 PolarHBondContact O-N 2.77Å
817S73.3Confident78.7Confident75 Ų75109.4 Ų109.452%0.52454%0.54SS..Hα-helixtrans-67-50.8173.3-165.10000111.4L813 Q814 L815 Q819 K820 L821L813-S817 WeakPolarHBondContact O-CB 3.44Å; L813-S817 PolarHBondContact O-N 2.9Å; L813-S817 VanDerWaalsContact O-N 3.12Å; Q814-S817 WeakPolarHBondContact O-CB 3.46Å; Q814-S817 PolarHBondContact O-N 3.38Å; L815-S817 VanDerWaalsContact C-N 3.28Å; L815-S817 PolarHBondContact O-N 3.01Å; S817-Q819 PolarHBondContact O-N 2.83Å; S817-K820 PolarHBondContact O-N 3Å; S817-L821 PolarHBondContact O-N 3.15Å
818N78.8Confident78.3Confident98 Ų98112.9 Ų112.952%0.52455%0.548SS..Hα-helixtrans-62.8-40.1178.6-78.5-20.4000112.8Q814 L815 K820 L821 I822Q814-N818 PolarHBondContact O-N 3.4Å; L815-N818 PolarHBondContact O-N 2.75Å; N818-K820 VanDerWaalsContact C-N 3.35Å; N818-K820 PolarHBondContact O-N 2.92Å; N818-L821 WeakPolarHBondContact O-CB 3.47Å; N818-L821 PolarHBondContact O-N 2.81Å; N818-L821 VanDerWaalsContact O-N 3.15Å; N818-I822 WeakPolarHBondContact O-CG1 3.42Å; N818-I822 PolarHBondContact O-N 3.08Å
819Q77.3Confident78Confident117 Ų117111.7 Ų111.755%0.54754%0.542SS..Hα-helixtrans-67-34.6-179.1-168.4174.413.400112.4L815 S817 L821 I822 N823L815-Q819 WeakPolarHBondContact O-CB 3.42Å; L815-Q819 PolarHBondContact O-N 2.89Å; S817-Q819 PolarHBondContact O-N 2.83Å; Q819-L821 VanDerWaalsContact C-N 3.33Å; Q819-I822 PolarHBondContact O-N 3.22Å; Q819-N823 WeakPolarHBondContact O-CB 3.44Å; Q819-N823 PolarHBondContact O-N 2.7Å
820K80.6Confident77.8Confident141 Ų141112.7 Ų112.761%0.61355%0.546SS*.Hα-helixtrans-62.2-41.7171-751741801800111.6L816 S817 N818 N823 E824L816-K820 WeakPolarHBondContact O-CG 3.24Å; L816-K820 PolarHBondContact O-N 2.77Å; S817-K820 PolarHBondContact O-N 3Å; N818-K820 VanDerWaalsContact C-N 3.35Å; N818-K820 PolarHBondContact O-N 2.92Å; K820-N823 PolarHBondContact O-N 2.81Å; K820-E824 PolarHBondContact O-N 2.79Å
821L73.9Confident77.6Confident128 Ų128114.5 Ų114.567%0.6756%0.556SS**Hα-helixtrans-66.6-39.7179.9-146.1127.4000112.1S817 N818 Q819 Y825S817-L821 PolarHBondContact O-N 3.15Å; N818-L821 WeakPolarHBondContact O-CB 3.47Å; N818-L821 PolarHBondContact O-N 2.81Å; N818-L821 VanDerWaalsContact O-N 3.15Å; Q819-L821 VanDerWaalsContact C-N 3.33Å; L821-Y825 PolarHBondContact O-N 3.41Å
822I80.4Confident77.4Confident94 Ų94115 Ų11548%0.48256%0.559SS.*Hα-helixtrans-67.1-39.8174.7-67.6165.1000111.6N818 Q819 Y825 N826N818-I822 WeakPolarHBondContact O-CG1 3.42Å; N818-I822 PolarHBondContact O-N 3.08Å; Q819-I822 PolarHBondContact O-N 3.22Å; I822-Y825 PolarHBondContact O-N 3.33Å; I822-N826 PolarHBondContact O-N 3.49Å
823N77.5Confident77.2Confident86 Ų86114 Ų11446%0.4656%0.557SS.*Hα-helixtrans-66.5-36.6179.4-79-12.9000113.1Q819 K820 K827Q819-N823 WeakPolarHBondContact O-CB 3.44Å; Q819-N823 PolarHBondContact O-N 2.7Å; K820-N823 PolarHBondContact O-N 2.81Å; N823-K827 WeakPolarHBondContact O-CG 3.44Å; N823-K827 PolarHBondContact O-N 2.89Å
824E74Confident77.1Confident130 Ų130112.3 Ų112.361%0.60755%0.549SS*.Hα-helixtrans-63.4-44.3171.1-77-67.9117.700111.3K820 N826 K827 Y828K820-E824 PolarHBondContact O-N 2.79Å; E824-N826 PolarHBondContact O-N 3.39Å; E824-K827 PolarHBondContact O-N 2.8Å; E824-K827 IonicContact OE1-NZ 2.96Å; E824-Y828 PolarHBondContact O-N 3.08Å
825Y78.6Confident77Confident149 Ų149110.7 Ų110.758%0.58455%0.547SS*.Hα-helixtrans-63.2-41.1177.8-174.7-101.5000113.1L821 I822 Y828 N829L821-Y825 PolarHBondContact O-N 3.41Å; I822-Y825 PolarHBondContact O-N 3.33Å; Y825-Y828 WeakPolarHBondContact O-CB 3.49Å; Y825-Y828 PolarHBondContact O-N 2.99Å; Y825-N829 WeakPolarHBondContact CE1-ND2 3.23Å; Y825-N829 PolarHBondContact O-N 3.06Å
826N77.9Confident76.6Confident78 Ų78112.1 Ų112.142%0.41755%0.549SS..Hα-helixtrans-65.8-42.8179.2-74.2-17.5000112.4I822 E824 Y828 N829 E830I822-N826 PolarHBondContact O-N 3.49Å; E824-N826 PolarHBondContact O-N 3.39Å; N826-Y828 VanDerWaalsContact C-N 3.25Å; N826-Y828 PolarHBondContact O-N 3.31Å; N826-N829 PolarHBondContact O-N 3.17Å; N826-E830 PolarHBondContact O-N 2.72Å
827K78.1Confident76.2Confident130 Ų130111.1 Ų111.157%0.56554%0.544SS*.Hα-helixtrans-57.1-39.2175.4-77.6177.2-179.3172.90112.5N823 E824 L831N823-K827 WeakPolarHBondContact O-CG 3.44Å; N823-K827 PolarHBondContact O-N 2.89Å; E824-K827 PolarHBondContact O-N 2.8Å; E824-K827 IonicContact OE1-NZ 2.96Å; K827-L831 PolarHBondContact O-N 3.1Å
828Y75.7Confident76.3Confident158 Ų158111.7 Ų111.762%0.6254%0.541SS*.Hα-helixtrans-62.5-46.4178-179.6-95.9000111.8E824 Y825 N826 Q832E824-Y828 PolarHBondContact O-N 3.08Å; Y825-Y828 WeakPolarHBondContact O-CB 3.49Å; Y825-Y828 PolarHBondContact O-N 2.99Å; N826-Y828 VanDerWaalsContact C-N 3.25Å; N826-Y828 PolarHBondContact O-N 3.31Å; Y828-Q832 PolarHBondContact O-N 2.97Å
829N75.9Confident75.9Confident60 Ų60113.8 Ų113.832%0.32155%0.548SS..Hα-helixtrans-67.4-39.6178.8-75.1-22.6000113Y825 N826 L831 Q832 L833Y825-N829 WeakPolarHBondContact CE1-ND2 3.23Å; Y825-N829 PolarHBondContact O-N 3.06Å; N826-N829 PolarHBondContact O-N 3.17Å; N829-L831 VanDerWaalsContact C-N 3.31Å; N829-L831 PolarHBondContact O-N 2.96Å; N829-Q832 PolarHBondContact O-N 2.97Å; N829-L833 PolarHBondContact O-N 2.9Å; N829-L833 VanDerWaalsContact O-N 3.08Å
830E75.3Confident75.7Confident133 Ų133112 Ų11262%0.62154%0.541SS*.Hα-helixtrans-60.8-39.8178.8-120.6179.4173.100112.4N826 Q832 L833 N834N826-E830 PolarHBondContact O-N 2.72Å; E830-Q832 VanDerWaalsContact C-N 3.32Å; E830-Q832 PolarHBondContact O-N 2.9Å; E830-L833 PolarHBondContact O-N 2.84Å; E830-N834 PolarHBondContact O-N 2.87Å; E830-N834 VanDerWaalsContact O-N 3.07Å; E830-N834 PolarHBondContact O-ND2 3.37Å
831L76.8Confident75.3Confident129 Ų129109.1 Ų109.168%0.67553%0.532SS*.Hα-helixtrans-68.5-32.7-179.1-141.8152.5000111.9K827 N829 T835K827-L831 PolarHBondContact O-N 3.1Å; N829-L831 VanDerWaalsContact C-N 3.31Å; N829-L831 PolarHBondContact O-N 2.96Å; L831-T835 PolarHBondContact O-OG1 2.99Å
832Q73.9Confident75Confident122 Ų122110.7 Ų110.757%0.5753%0.53SS*.Hα-helixtrans-77-29.7175.4-162.9178.44500113.1Y828 N829 E830 T835Y828-Q832 PolarHBondContact O-N 2.97Å; N829-Q832 PolarHBondContact O-N 2.97Å; E830-Q832 VanDerWaalsContact C-N 3.32Å; E830-Q832 PolarHBondContact O-N 2.9Å; Q832-T835 PolarHBondContact O-OG1 2.94Å
833L75.1Confident74.5Confident110 Ų110113.1 Ų113.158%0.57654%0.54SS*.Hα-helixtrans-76.3-42.5177.4-158.884.3000111.9N829 E830 T835 K836 N837N829-L833 PolarHBondContact O-N 2.9Å; N829-L833 VanDerWaalsContact O-N 3.08Å; E830-L833 PolarHBondContact O-N 2.84Å; L833-T835 PolarHBondContact O-N 3.37Å; L833-K836 PolarHBondContact O-N 3.22Å; L833-N837 PolarHBondContact O-N 2.89Å; L833-N837 VanDerWaalsContact O-N 3.08Å
834N76.1Confident73.9Confident90 Ų90115.4 Ų115.448%0.48155%0.545SS..Hα-helixtrans-64.7-36.2-178-83-31.9000113.4E830 K836 N838E830-N834 PolarHBondContact O-N 2.87Å; E830-N834 VanDerWaalsContact O-N 3.07Å; E830-N834 PolarHBondContact O-ND2 3.37Å; N834-K836 PolarHBondContact O-N 3.09Å; N834-N838 VanDerWaalsContact O-CG 3.32Å; N834-N838 PolarHBondContact O-N 3.38Å; N834-N838 PolarHBondContact O-ND2 2.75Å
835T74.4Confident73.5Confident86 Ų86114.4 Ų114.453%0.52854%0.541SS..Hα-helixtrans-60.9-44.7174.826.10000111.4L831 Q832 L833L831-T835 PolarHBondContact O-OG1 2.99Å; Q832-T835 PolarHBondContact O-OG1 2.94Å; L833-T835 PolarHBondContact O-N 3.37Å
836K72.4Confident72.7Confident146 Ų146113.6 Ų113.664%0.63555%0.546SS*.Hα-helixtrans-73.1-32.8-177.5-147.1171.7-170.9175.30114L833 N834L833-K836 PolarHBondContact O-N 3.22Å; N834-K836 PolarHBondContact O-N 3.09Å
837N74.8Confident72.2Confident74 Ų74116 Ų11640%0.39656%0.559SS.*Hα-helixtrans-72-31.3176.7-83.9-24000113.1L833 N841L833-N837 PolarHBondContact O-N 2.89Å; L833-N837 VanDerWaalsContact O-N 3.08Å; N837-N841 PolarHBondContact O-N 2.81Å; N837-N841 PolarHBondContact O-ND2 2.78Å
838N75.8Confident71.7Confident87 Ų87114.9 Ų114.947%0.46556%0.559SS.*Hα-helixtrans-66.7-42.7-179.6-76.6-20.3000112.1N834 I840 N841 Y842N834-N838 VanDerWaalsContact O-CG 3.32Å; N834-N838 PolarHBondContact O-N 3.38Å; N834-N838 PolarHBondContact O-ND2 2.75Å; N838-I840 PolarHBondContact O-N 3.2Å; N838-N841 PolarHBondContact O-N 3.05Å; N838-Y842 HydrophobicContact CB-CE2 4.4Å; N838-Y842 WeakPolarHBondContact O-CD2 3.41Å; N838-Y842 PolarHBondContact O-N 2.68Å
839E69.2Low71.2Confident142 Ų142113.2 Ų113.266%0.66456%0.559SS**Hα-helixtrans-58.3-48.2179.1-65.4178.3144.900112.1N841 Y842E839-N841 VanDerWaalsContact C-N 3.31Å; E839-N841 PolarHBondContact O-N 3.16Å; E839-Y842 PolarHBondContact O-N 2.98Å
840I73.1Confident70.3Confident80 Ų80117.5 Ų117.541%0.4158%0.577SS.*Hα-helixtrans-67.5-30-176.8-63.3170.4000112.4N838 K844N838-I840 PolarHBondContact O-N 3.2Å; I840-K844 HydrophobicContact CG2-CD 4.34Å
841N72.3Confident69.9Low80 Ų80117.3 Ų117.343%0.42858%0.58SS.*Hα-helixtrans-75-35-179-79.9-31.4000112.6N837 N838 E839 K844 Q845N837-N841 PolarHBondContact O-N 2.81Å; N837-N841 PolarHBondContact O-ND2 2.78Å; N838-N841 PolarHBondContact O-N 3.05Å; E839-N841 VanDerWaalsContact C-N 3.31Å; E839-N841 PolarHBondContact O-N 3.16Å; N841-K844 PolarHBondContact O-N 3.24Å; N841-Q845 VanDerWaalsContact O-CG 3.3Å; N841-Q845 WeakPolarHBondContact O-CG 3.48Å; N841-Q845 PolarHBondContact O-N 3.12Å
842Y67.3Low69.4Low160 Ų160115.5 Ų115.563%0.62757%0.571SS**Hα-helixtrans-67.9-40.3179.7-71.4-58.8000112.8N838 E839 K844 Q845 L846N838-Y842 HydrophobicContact CB-CE2 4.4Å; N838-Y842 WeakPolarHBondContact O-CD2 3.41Å; N838-Y842 PolarHBondContact O-N 2.68Å; E839-Y842 PolarHBondContact O-N 2.98Å; Y842-K844 PolarHBondContact O-N 3.05Å; Y842-Q845 PolarHBondContact O-N 3.08Å; Y842-L846 PolarHBondContact O-N 2.91Å
843E69.6Low69.1Low146 Ų146116.1 Ų116.168%0.68257%0.574SS**Hα-helixtrans-64.3-37.5176.4-70.3-169.3132.600113.2
844K66.6Low68.6Low133 Ų133117.6 Ų117.658%0.57858%0.578SS**Hα-helixtrans-74-29-179.6-74.2178.3179.6173.90113.6I840 N841 Y842 N848I840-K844 HydrophobicContact CG2-CD 4.34Å; N841-K844 PolarHBondContact O-N 3.24Å; Y842-K844 PolarHBondContact O-N 3.05Å; K844-N848 PolarHBondContact O-ND2 3.23Å
845Q64.5Low68Low110 Ų110118 Ų11851%0.51458%0.58SS.*Hα-helixtrans-72.1-39.2177.8-75.4173.60.400111.5N841 Y842 I849N841-Q845 VanDerWaalsContact O-CG 3.3Å; N841-Q845 WeakPolarHBondContact O-CG 3.48Å; N841-Q845 PolarHBondContact O-N 3.12Å; Y842-Q845 PolarHBondContact O-N 3.08Å; Q845-I849 WeakPolarHBondContact O-CD1 3.4Å; Q845-I849 VanDerWaalsContact O-CG1 3.29Å; Q845-I849 WeakPolarHBondContact O-CG1 3.37Å; Q845-I849 PolarHBondContact O-N 3.2Å
846L62.6Low67.5Low132 Ų132119.2 Ų119.269%0.69158%0.583SS**Hα-helixtrans-63-48.3-177.3-142.878.1000112.6Y842Y842-L846 PolarHBondContact O-N 2.91Å
847N66.9Low67.1Low128 Ų128116.8 Ų116.868%0.68458%0.576SS**Hα-helixtrans-72.4-30.1-175.3-79.7-48.5000114.4
848N66.8Low66.6Low106 Ų106118.1 Ų118.157%0.56758%0.583SS**Hα-helixtrans-78.5-27.4-178.6-93.9-45.2000113.9K844K844-N848 PolarHBondContact O-ND2 3.23Å
849I65.1Low66Low123 Ų123119 Ų11963%0.63159%0.588SS**Hα-helixtrans-71-39.7-175.5-73.7169.8000111.5Q845Q845-I849 WeakPolarHBondContact O-CD1 3.4Å; Q845-I849 VanDerWaalsContact O-CG1 3.29Å; Q845-I849 WeakPolarHBondContact O-CG1 3.37Å; Q845-I849 PolarHBondContact O-N 3.2Å
850Q58.1Low65.8Low150 Ų150115.4 Ų115.470%0.70158%0.576SS**Hα-helixtrans-74.2-52.3-175.5-114.4169.8-27.100112.7N852Q850-N852 PolarHBondContact O-N 2.75Å
851L67.5Low65.5Low129 Ų129116.1 Ų116.168%0.67558%0.579SS**Hα-helixtrans-70.7-30.6-166-147.186.7000114.4N855L851-N855 PolarHBondContact O-ND2 2.97Å
852N65.5Low65.2Low92 Ų92117 Ų11749%0.49258%0.584SS.*Hα-helixtrans-86.7-32.8-176.9-88-39.1000113.4Q850 L856Q850-N852 PolarHBondContact O-N 2.75Å; N852-L856 PolarHBondContact O-N 2.95Å
853H68Low65.4Low135 Ų135113.8 Ų113.863%0.62558%0.578SS**Hα-helixtrans-69.3-41.3-173.9-16250.9000111.7N855 L857H853-N855 PolarHBondContact O-N 2.91Å; H853-L857 PolarHBondContact O-N 2.85Å
854E63.1Low65.2Low140 Ų140115.3 Ų115.365%0.65458%0.579SS**Hα-helixtrans-69.3-33.9-176.1-150.5168.5-15600113.2N858E854-N858 PolarHBondContact O-ND2 2.85Å
855N64.7Low65.1Low100 Ų100114.2 Ų114.254%0.53558%0.575SS.*Hα-helixtrans-83-28.6-178.3-76.1-61000114.2L851 H853 N859L851-N855 PolarHBondContact O-ND2 2.97Å; H853-N855 PolarHBondContact O-N 2.91Å; N855-N859 PolarHBondContact O-ND2 3.24Å
856L63Low65.3Low111 Ų111115 Ų11558%0.58158%0.582SS**Hα-helixtrans-81.4-35178.9-87.6159.7000113N852 T860N852-L856 PolarHBondContact O-N 2.95Å; L856-T860 WeakPolarHBondContact O-CG2 3.23Å; L856-T860 PolarHBondContact O-OG1 2.94Å
857L65Low65.6Low95 Ų95115.4 Ų115.450%0.49758%0.579SS.*Hα-helixtrans-65-46.6-178.2-155.682.7000111.9H853H853-L857 PolarHBondContact O-N 2.85Å
858N63Low65.3Low101 Ų101114.8 Ų114.854%0.5458%0.575SS.*Hα-helixtrans-71.5-30.9-173.6-76.6-54.1000114.4E854 N862E854-N858 PolarHBondContact O-ND2 2.85Å; N858-N862 PolarHBondContact O-ND2 2.97Å; N858-N862 VanDerWaalsContact O-ND2 3.07Å
859N65Low65.4Low107 Ų107114 Ų11457%0.57257%0.57SS**Hα-helixtrans-89-22.9-173.7-79.7-57.5000114.7N855 N863N855-N859 PolarHBondContact O-ND2 3.24Å; N859-N863 PolarHBondContact O-ND2 2.99Å
860T63.4Low65.6Low66 Ų66114 Ų11441%0.40557%0.568SS.*Hα-helixtrans-91-45.4-172.249.90000112.9L856 N863 Y864L856-T860 WeakPolarHBondContact O-CG2 3.23Å; L856-T860 PolarHBondContact O-OG1 2.94Å; T860-N863 PolarHBondContact O-N 3.31Å; T860-Y864 WeakPolarHBondContact O-CD2 3.25Å
861I67.1Low66Low95 Ų95113.9 Ų113.949%0.48757%0.565SS.*Hα-helixtrans-68.2-51.3-173.3-61.3173.8000111.2N863 Y864 E865I861-N863 PolarHBondContact O-N 2.73Å; I861-N863 VanDerWaalsContact O-N 3.08Å; I861-Y864 PolarHBondContact O-N 3.08Å; I861-E865 HydrophobicContact CG2-CG 4.37Å; I861-E865 PolarHBondContact O-N 3.43Å; I861-E865 VanDerWaalsContact O-N 3.07Å
862N66.6Low66Low98 Ų98111.1 Ų111.152%0.52455%0.551SS.*Hα-helixtrans-51.3-34.4176.5-82.1-60.8000113.7N858N858-N862 PolarHBondContact O-ND2 2.97Å; N858-N862 VanDerWaalsContact O-ND2 3.07Å
863N72Confident66.1Low93 Ų93112.8 Ų112.850%0.49756%0.556SS.*Hα-helixtrans-75.7-26.7-178.7-105.5-58.3000113.5N859 T860 I861N859-N863 PolarHBondContact O-ND2 2.99Å; T860-N863 PolarHBondContact O-N 3.31Å; I861-N863 PolarHBondContact O-N 2.73Å; I861-N863 VanDerWaalsContact O-N 3.08Å
864Y65.6Low66.1Low178 Ų178112.9 Ų112.970%0.69855%0.554SS**Hα-helixtrans-89-29.5176.5-77.4-68.9000112.6T860 I861 L866 K867 L868T860-Y864 WeakPolarHBondContact O-CD2 3.25Å; I861-Y864 PolarHBondContact O-N 3.08Å; Y864-L866 VanDerWaalsContact C-N 3.28Å; Y864-L866 PolarHBondContact O-N 3.14Å; Y864-K867 PolarHBondContact O-N 2.89Å; Y864-L868 WeakPolarHBondContact O-CB 3.37Å; Y864-L868 PolarHBondContact O-N 2.91Å
865E63.5Low66Low109 Ų109110.5 Ų110.551%0.50955%0.545SS..Hα-helixtrans-58.6-36.1172.7-74.6-177.6126.300113I861 N869I861-E865 HydrophobicContact CG2-CG 4.37Å; I861-E865 PolarHBondContact O-N 3.43Å; I861-E865 VanDerWaalsContact O-N 3.07Å; E865-N869 WeakPolarHBondContact O-CB 3.12Å; E865-N869 PolarHBondContact O-ND2 2.78Å
866L68.5Low66Low126 Ų126110 Ų11066%0.6654%0.542SS*.Hα-helixtrans-74.1-48.2178.5-77.7161.4000112.8Y864 E870Y864-L866 VanDerWaalsContact C-N 3.28Å; Y864-L866 PolarHBondContact O-N 3.14Å; L866-E870 PolarHBondContact O-N 3.44Å
867K68.3Low66.2Low141 Ų141110.8 Ų110.861%0.61354%0.543SS*.Hα-helixtrans-75.3-27.1-172.5-72.3176179.9168.20114.4Y864Y864-K867 PolarHBondContact O-N 2.89Å
868L61.3Low66Low115 Ų115111.6 Ų111.660%0.60255%0.547SS*.Hα-helixtrans-80.9-35.6177.3-155.575.3000111.7Y864 K871 N872Y864-L868 WeakPolarHBondContact O-CB 3.37Å; Y864-L868 PolarHBondContact O-N 2.91Å; L868-K871 PolarHBondContact O-N 2.65Å; L868-N872 WeakPolarHBondContact O-CB 3.48Å; L868-N872 PolarHBondContact O-N 3.07Å; L868-N872 PolarHBondContact O-ND2 2.98Å
869N68.4Low66.2Low89 Ų89110.6 Ų110.648%0.47654%0.541SS..Hα-helixtrans-64.7-42.5178-87.4-43.2000112.9E865 K871 N872 Q873E865-N869 WeakPolarHBondContact O-CB 3.12Å; E865-N869 PolarHBondContact O-ND2 2.78Å; N869-K871 PolarHBondContact O-N 3.01Å; N869-N872 PolarHBondContact O-N 3.1Å; N869-Q873 WeakPolarHBondContact O-CB 3.33Å; N869-Q873 WeakPolarHBondContact O-CG 3.44Å; N869-Q873 PolarHBondContact O-N 2.85Å
870E69.1Low66.2Low125 Ų125110 Ų11058%0.58454%0.538SS*.Hα-helixtrans-58.9-32.9175.4-72.7-168.4142.700113.4L866L866-E870 PolarHBondContact O-N 3.44Å
871K68.4Low66.2Low146 Ų146112.7 Ų112.764%0.63555%0.546SS*.Hα-helixtrans-78.6-44.8178.3-68.2-70.1-178.61750111.2L868 N869 I875L868-K871 PolarHBondContact O-N 2.65Å; N869-K871 PolarHBondContact O-N 3.01Å; K871-I875 WeakPolarHBondContact O-CD1 3.17Å; K871-I875 VanDerWaalsContact O-CG1 3.26Å; K871-I875 WeakPolarHBondContact O-CG1 3.38Å; K871-I875 PolarHBondContact O-N 2.86Å
872N66.4Low65.8Low71 Ų71113.2 Ų113.238%0.3855%0.549SS..Hα-helixtrans-67.6-34.9179.2-73.1-21.2000113L868 N869 I875 N876L868-N872 WeakPolarHBondContact O-CB 3.48Å; L868-N872 PolarHBondContact O-N 3.07Å; L868-N872 PolarHBondContact O-ND2 2.98Å; N869-N872 PolarHBondContact O-N 3.1Å; N872-I875 PolarHBondContact O-N 2.96Å; N872-N876 WeakPolarHBondContact O-CB 3.43Å; N872-N876 PolarHBondContact O-N 3.14Å; N872-N876 PolarHBondContact O-ND2 2.77Å
873Q68.3Low65.6Low128 Ų128115.6 Ų115.660%0.59856%0.555SS**Hα-helixtrans-66.2-47.9177.3-77.5-179.9-21.100112.4N869 I875 N876 E877N869-Q873 WeakPolarHBondContact O-CB 3.33Å; N869-Q873 WeakPolarHBondContact O-CG 3.44Å; N869-Q873 PolarHBondContact O-N 2.85Å; Q873-I875 VanDerWaalsContact C-N 3.25Å; Q873-I875 PolarHBondContact O-N 2.78Å; Q873-N876 PolarHBondContact O-N 3.38Å; Q873-N876 VanDerWaalsContact O-N 3.08Å; Q873-E877 PolarHBondContact O-N 2.83Å
874K67.3Low64.9Low137 Ų137118.1 Ų118.160%0.59656%0.564SS**Hα-helixtrans-61.2-34.1175.9-77171.4176.5163.30112.9L878K874-L878 WeakPolarHBondContact O-CD1 3.48Å; K874-L878 WeakPolarHBondContact O-CG 3.39Å; K874-L878 PolarHBondContact O-N 3.15Å
875I62Low64.6Low89 Ų89116.5 Ų116.546%0.45656%0.563SS.*Hα-helixtrans-68.5-42.7173.9-70.9169.4000110.6K871 N872 Q873 L878 I879K871-I875 WeakPolarHBondContact O-CD1 3.17Å; K871-I875 VanDerWaalsContact O-CG1 3.26Å; K871-I875 WeakPolarHBondContact O-CG1 3.38Å; K871-I875 PolarHBondContact O-N 2.86Å; N872-I875 PolarHBondContact O-N 2.96Å; Q873-I875 VanDerWaalsContact C-N 3.25Å; Q873-I875 PolarHBondContact O-N 2.78Å; I875-L878 PolarHBondContact O-N 3.46Å; I875-I879 HydrophobicContact CG2-CD1 3.57Å; I875-I879 HydrophobicContact CG2-CG1 4.45Å; I875-I879 WeakPolarHBondContact O-CB 3.28Å; I875-I879 WeakPolarHBondContact O-CD1 3.5Å; I875-I879 WeakPolarHBondContact O-CG1 3.08Å; I875-I879 PolarHBondContact O-N 2.95Å
876N63.4Low64.2Low89 Ų89116 Ų11648%0.47656%0.563SS.*Hα-helixtrans-70.3-33178.8-76.6-31.7000114.1N872 Q873 I879 N880N872-N876 WeakPolarHBondContact O-CB 3.43Å; N872-N876 PolarHBondContact O-N 3.14Å; N872-N876 PolarHBondContact O-ND2 2.77Å; Q873-N876 PolarHBondContact O-N 3.38Å; Q873-N876 VanDerWaalsContact O-N 3.08Å; N876-I879 PolarHBondContact O-N 2.97Å; N876-N880 WeakPolarHBondContact O-CB 3.11Å; N876-N880 PolarHBondContact O-N 2.94Å
877E68Low63.8Low129 Ų129115.7 Ų115.760%0.60356%0.562SS**Hα-helixtrans-63.4-47.5172.3-73.7-179.2143.800111.4Q873 I879 N880 Q881Q873-E877 PolarHBondContact O-N 2.83Å; E877-I879 VanDerWaalsContact C-N 3.34Å; E877-I879 PolarHBondContact O-N 2.79Å; E877-N880 PolarHBondContact O-N 2.88Å; E877-Q881 WeakPolarHBondContact O-CG 3.41Å; E877-Q881 PolarHBondContact O-N 2.87Å
878L61.3Low63.3Low111 Ų111114.7 Ų114.758%0.58156%0.563SS**Hα-helixtrans-62.4-39.5175.8-73.2167.1000112.1K874 I875 L882K874-L878 WeakPolarHBondContact O-CD1 3.48Å; K874-L878 WeakPolarHBondContact O-CG 3.39Å; K874-L878 PolarHBondContact O-N 3.15Å; I875-L878 PolarHBondContact O-N 3.46Å; L878-L882 PolarHBondContact O-N 2.98Å
879I67.3Low62.8Low80 Ų80114.4 Ų114.441%0.4156%0.559SS.*Hα-helixtrans-69.5-33.7177.5-71.9169000112.3I875 N876 E877 L882 K883I875-I879 HydrophobicContact CG2-CD1 3.57Å; I875-I879 HydrophobicContact CG2-CG1 4.45Å; I875-I879 WeakPolarHBondContact O-CB 3.28Å; I875-I879 WeakPolarHBondContact O-CD1 3.5Å; I875-I879 WeakPolarHBondContact O-CG1 3.08Å; I875-I879 PolarHBondContact O-N 2.95Å; N876-I879 PolarHBondContact O-N 2.97Å; E877-I879 VanDerWaalsContact C-N 3.34Å; E877-I879 PolarHBondContact O-N 2.79Å; I879-L882 WeakPolarHBondContact O-CB 3.37Å; I879-L882 PolarHBondContact O-N 2.76Å; I879-K883 PolarHBondContact O-N 3.45Å
880N63.8Low62.2Low96 Ų96113.6 Ų113.651%0.51355%0.554SS.*Hα-helixtrans-77-33.5176.1-83.2-25.1000112.9N876 E877 L882 K883 Q884N876-N880 WeakPolarHBondContact O-CB 3.11Å; N876-N880 PolarHBondContact O-N 2.94Å; E877-N880 PolarHBondContact O-N 2.88Å; N880-L882 VanDerWaalsContact C-N 3.29Å; N880-K883 WeakPolarHBondContact O-CB 3.36Å; N880-K883 PolarHBondContact O-N 2.8Å; N880-Q884 PolarHBondContact O-N 2.87Å
881Q62.8Low61.5Low122 Ų122114.2 Ų114.257%0.5756%0.561SS**Hα-helixtrans-61.6-39.6166.9-71.9176.2-5.300111.2E877 K883 Q884 Q885E877-Q881 WeakPolarHBondContact O-CG 3.41Å; E877-Q881 PolarHBondContact O-N 2.87Å; Q881-K883 PolarHBondContact O-N 3.38Å; Q881-Q884 PolarHBondContact O-N 2.84Å; Q881-Q885 PolarHBondContact O-N 3.3Å
882L58.6Low60.8Low106 Ų106112.9 Ų112.956%0.55556%0.559SS**Hα-helixtrans-56-48.9170.8-14387.5000111.1L878 I879 N880 Q884 Q885 L886L878-L882 PolarHBondContact O-N 2.98Å; I879-L882 WeakPolarHBondContact O-CB 3.37Å; I879-L882 PolarHBondContact O-N 2.76Å; N880-L882 VanDerWaalsContact C-N 3.29Å; L882-Q884 PolarHBondContact O-N 3.46Å; L882-Q885 PolarHBondContact O-N 2.87Å; L882-L886 WeakPolarHBondContact O-CB 3.49Å; L882-L886 PolarHBondContact O-N 3.44Å
883K62.4Low60.3Low148 Ų148114 Ų11464%0.64356%0.561SS**Hα-helixtrans-60.7-23.4179-113.4175.4-179.1175.30114.7I879 N880 Q881I879-K883 PolarHBondContact O-N 3.45Å; N880-K883 WeakPolarHBondContact O-CB 3.36Å; N880-K883 PolarHBondContact O-N 2.8Å; Q881-K883 PolarHBondContact O-N 3.38Å
884Q58.2Low59.7Low145 Ų145110.7 Ų110.768%0.67855%0.552SS**Hα-helixtrans-93.2-39.7-178.9-155.2165.15.300111.6N880 Q881 L882N880-Q884 PolarHBondContact O-N 2.87Å; Q881-Q884 PolarHBondContact O-N 2.84Å; L882-Q884 PolarHBondContact O-N 3.46Å
885Q59Low58.9Low145 Ų145110.4 Ų110.468%0.67856%0.556SS**Hα-helixtrans-71.1-31.4173.8-69.7-169.4-15.900113.4Q881 L882 N887 D888 H889Q881-Q885 PolarHBondContact O-N 3.3Å; L882-Q885 PolarHBondContact O-N 2.87Å; Q885-N887 VanDerWaalsContact C-N 3.3Å; Q885-N887 PolarHBondContact O-N 3.49Å; Q885-D888 PolarHBondContact O-N 3.21Å; Q885-H889 WeakPolarHBondContact O-CB 3.16Å; Q885-H889 PolarHBondContact O-N 3.4Å
886L55.3Low58.3Low97 Ų97110.1 Ų110.151%0.50856%0.555SS.*Hα-helixtrans-77.3-14.3-177.1-154.1148.8000112.7L882L882-L886 WeakPolarHBondContact O-CB 3.49Å; L882-L886 PolarHBondContact O-N 3.44Å
887N61.1Low57.8Low121 Ų121111.5 Ų111.565%0.64756%0.558SS**Hα-helixtrans-83.7-34.4168.7-95.30.4000113.2Q885Q885-N887 VanDerWaalsContact C-N 3.3Å; Q885-N887 PolarHBondContact O-N 3.49Å
888D57.8Low56.8Low119 Ų119112.7 Ų112.764%0.63656%0.564SS**Hα-helixtrans-92.6-31.8-176.5-70.3-18.8000113.3Q885 I892Q885-D888 PolarHBondContact O-N 3.21Å; D888-I892 WeakPolarHBondContact O-CD1 3.45Å; D888-I892 WeakPolarHBondContact O-CG1 3.33Å
889H50.5Low56.1Low110 Ų110112.7 Ų112.751%0.50956%0.563SS.*SBendtrans-80.5-48-175.9-175.370.4000113.5Q885 I892 K893Q885-H889 WeakPolarHBondContact O-CB 3.16Å; Q885-H889 PolarHBondContact O-N 3.4Å; H889-I892 WeakPolarHBondContact O-CB 3.22Å; H889-I892 PolarHBondContact O-N 2.77Å; H889-I892 VanDerWaalsContact O-N 3.16Å; H889-K893 PolarHBondContact O-N 3.34Å
890D54.4Low55.3Low71 Ų71113.2 Ų113.238%0.3857%0.567SS.*Hα-helixtrans-79.9-22.2-171.9-71.5-36.4000112.8I892 K893 S894D890-I892 PolarHBondContact O-N 3.3Å; D890-K893 PolarHBondContact O-N 2.8Å; D890-S894 PolarHBondContact O-N 3.01Å; D890-S894 VanDerWaalsContact O-N 3.08Å
891L55.4Low54.9Low138 Ų138113.3 Ų113.372%0.72357%0.567SS**Hα-helixtrans-63.3-20.5167.6-160.1138.8000112.5S894L891-S894 PolarHBondContact O-OG 3.3Å
892I54.5Low54.6Low118 Ų118113.7 Ų113.761%0.60557%0.569SS**Hα-helixtrans-95.2-15.6173.5-62.2173.8000111.4D888 H889 D890D888-I892 WeakPolarHBondContact O-CD1 3.45Å; D888-I892 WeakPolarHBondContact O-CG1 3.33Å; H889-I892 WeakPolarHBondContact O-CB 3.22Å; H889-I892 PolarHBondContact O-N 2.77Å; H889-I892 VanDerWaalsContact O-N 3.16Å; D890-I892 PolarHBondContact O-N 3.3Å
893K55.1Low54.4Low94 Ų94114.9 Ų114.941%0.40957%0.572SS.*Hα-helixtrans-103.2-10.1-173.1-159.3176.2179.3-179.40114.7H889 D890 L895 I896 E897H889-K893 PolarHBondContact O-N 3.34Å; D890-K893 PolarHBondContact O-N 2.8Å; K893-L895 PolarHBondContact O-N 2.8Å; K893-I896 HydrophobicContact CG-CB 4.1Å; K893-I896 HydrophobicContact CG-CD1 4.44Å; K893-I896 CarbonylContact O-C 3.55Å; K893-I896 WeakPolarHBondContact O-CA 3.43Å; K893-I896 PolarHBondContact O-N 3.04Å; K893-E897 PolarHBondContact O-N 2.99Å
894S55.7Low54Low59 Ų59112.8 Ų112.841%0.41357%0.567SS.*Hα-helixtrans-58-18.4158.957.80000113.3D890 L891 I896 E897D890-S894 PolarHBondContact O-N 3.01Å; D890-S894 VanDerWaalsContact O-N 3.08Å; L891-S894 PolarHBondContact O-OG 3.3Å; S894-I896 VanDerWaalsContact C-N 3.31Å; S894-E897 VanDerWaalsContact CA-OE2 3.29Å; S894-E897 WeakPolarHBondContact CA-OE2 3.35Å; S894-E897 WeakPolarHBondContact CB-OE2 3.48Å
895L50.2Low54.1Low132 Ų132110.9 Ų110.969%0.69156%0.56SS**Hα-helixtrans-75.8-11.7166.7-79.5149.8000114.3K893K893-L895 PolarHBondContact O-N 2.8Å
896I48.8Very low54Low82 Ų82110.2 Ų110.242%0.42156%0.557SS.*Hα-helixtrans-111-23.8178.8-58.4-178.5000111.7K893 S894 H898 I899 N900K893-I896 HydrophobicContact CG-CB 4.1Å; K893-I896 HydrophobicContact CG-CD1 4.44Å; K893-I896 CarbonylContact O-C 3.55Å; K893-I896 WeakPolarHBondContact O-CA 3.43Å; K893-I896 PolarHBondContact O-N 3.04Å; S894-I896 VanDerWaalsContact C-N 3.31Å; I896-H898 PolarHBondContact O-N 2.85Å; I896-I899 PolarHBondContact O-N 2.9Å; I896-N900 PolarHBondContact O-N 3.43Å
897E53Low54.1Low118 Ų118110.1 Ų110.155%0.55156%0.557SS**Hα-helixtrans-42.5-49.5161.2-72.6-178.2140.300109.7K893 S894 I899 N900 D901K893-E897 PolarHBondContact O-N 2.99Å; S894-E897 VanDerWaalsContact CA-OE2 3.29Å; S894-E897 WeakPolarHBondContact CA-OE2 3.35Å; S894-E897 WeakPolarHBondContact CB-OE2 3.48Å; E897-I899 PolarHBondContact O-N 3.41Å; E897-N900 PolarHBondContact O-N 2.99Å; E897-D901 WeakPolarHBondContact O-CB 3.24Å; E897-D901 VanDerWaalsContact O-CG 3.23Å; E897-D901 PolarHBondContact O-N 2.88Å
898H47.8Very low54.1Low155 Ų155108.4 Ų108.472%0.71855%0.548SS*.Hα-helixtrans-62.9-15.8-177-147.8-53000116.2I896I896-H898 PolarHBondContact O-N 2.85Å
899I45.7Very low54.5Low110 Ų110107 Ų10756%0.56454%0.539SS*.Hα-helixtrans-107.8-42.4179.2-60.6178.6000111.6I896 E897 Q902I896-I899 PolarHBondContact O-N 2.9Å; E897-I899 PolarHBondContact O-N 3.41Å; I899-Q902 WeakPolarHBondContact O-CB 3.38Å; I899-Q902 PolarHBondContact O-N 3.37Å; I899-Q902 VanDerWaalsContact O-N 3.12Å
900N52.1Low55.1Low91 Ų91108.4 Ų108.449%0.48754%0.544SS..Hα-helixtrans-78.2-25.4179.8-76.8-5.3000112.8I896 E897 Q902 E903 I904I896-N900 PolarHBondContact O-N 3.43Å; E897-N900 PolarHBondContact O-N 2.99Å; N900-Q902 PolarHBondContact O-N 2.88Å; N900-E903 PolarHBondContact O-N 2.81Å; N900-I904 PolarHBondContact O-N 3.11Å
901D55.3Low55.2Low99 Ų99113.4 Ų113.453%0.52956%0.559SS.*Hα-helixtrans-60.1-31.9165.2-75.9-26.9000111.1E897 E903 L905E897-D901 WeakPolarHBondContact O-CB 3.24Å; E897-D901 VanDerWaalsContact O-CG 3.23Å; E897-D901 PolarHBondContact O-N 2.88Å; D901-E903 VanDerWaalsContact C-N 3.33Å; D901-E903 PolarHBondContact O-N 2.77Å; D901-L905 WeakPolarHBondContact O-CB 3.41Å; D901-L905 WeakPolarHBondContact O-CD1 3.41Å; D901-L905 WeakPolarHBondContact O-CG 3.45Å; D901-L905 PolarHBondContact O-N 2.84Å
902Q55.8Low55.4Low130 Ų130113.4 Ų113.461%0.60755%0.553SS**Hα-helixtrans-69.5-27.7178.2-162.3178.6-7.100113I899 N900I899-Q902 WeakPolarHBondContact O-CB 3.38Å; I899-Q902 PolarHBondContact O-N 3.37Å; I899-Q902 VanDerWaalsContact O-N 3.12Å; N900-Q902 PolarHBondContact O-N 2.88Å
903E55.5Low55.8Low131 Ų131114.6 Ų114.661%0.61255%0.553SS**Hα-helixtrans-88.8-41.5179.6-155.7174.7-134.100111.8N900 D901 Q906N900-E903 PolarHBondContact O-N 2.81Å; D901-E903 VanDerWaalsContact C-N 3.33Å; D901-E903 PolarHBondContact O-N 2.77Å; E903-Q906 VanDerWaalsContact O-CB 3.26Å; E903-Q906 WeakPolarHBondContact O-CB 3.33Å; E903-Q906 PolarHBondContact O-N 3.28Å
904I52.7Low55.8Low104 Ų104115 Ų11553%0.53356%0.559SS.*Hα-helixtrans-83.3-18.2178.8-63.7180000112.5N900 Q906 L907 N908N900-I904 PolarHBondContact O-N 3.11Å; I904-Q906 PolarHBondContact O-N 3.32Å; I904-L907 PolarHBondContact O-N 2.91Å; I904-N908 VanDerWaalsContact O-CB 3.24Å; I904-N908 WeakPolarHBondContact O-CB 3.29Å; I904-N908 PolarHBondContact O-N 3.18Å
905L59.8Low55.6Low104 Ų104118 Ų11855%0.54557%0.565SS.*Hα-helixtrans-53-37.6157.7-97.2157.9000110.8D901 I909D901-L905 WeakPolarHBondContact O-CB 3.41Å; D901-L905 WeakPolarHBondContact O-CD1 3.41Å; D901-L905 WeakPolarHBondContact O-CG 3.45Å; D901-L905 PolarHBondContact O-N 2.84Å; L905-I909 HydrophobicContact CD2-CD1 4.05Å; L905-I909 HydrophobicContact CD2-CG1 4.47Å; L905-I909 WeakPolarHBondContact O-CB 3.43Å; L905-I909 WeakPolarHBondContact O-CD1 3.49Å; L905-I909 WeakPolarHBondContact O-CG1 3.49Å; L905-I909 PolarHBondContact O-N 3.39Å
906Q57.2Low56.2Low131 Ų131115.8 Ų115.861%0.61255%0.554SS**Hα-helixtrans-68.2-42.4178-53.4-174.916.300112E903 I904 K910E903-Q906 VanDerWaalsContact O-CB 3.26Å; E903-Q906 WeakPolarHBondContact O-CB 3.33Å; E903-Q906 PolarHBondContact O-N 3.28Å; I904-Q906 PolarHBondContact O-N 3.32Å; Q906-K910 VanDerWaalsContact O-CB 3.3Å; Q906-K910 WeakPolarHBondContact O-CB 3.36Å; Q906-K910 PolarHBondContact O-N 3.26Å
907L57Low56.7Low95 Ų95117.3 Ų117.350%0.49756%0.56SS.*Hα-helixtrans-70.4-39.2177.6-85164.4000113I904 K910 Y911I904-L907 PolarHBondContact O-N 2.91Å; L907-K910 WeakPolarHBondContact O-CB 2.96Å; L907-K910 PolarHBondContact O-N 2.95Å; L907-Y911 PolarHBondContact O-N 3.41Å
908N61.3Low56.7Low86 Ų86116.2 Ų116.246%0.4656%0.555SS.*Hα-helixtrans-68.4-41.6176.4-153.4-24.8000110.1I904 K910 K912I904-N908 VanDerWaalsContact O-CB 3.24Å; I904-N908 WeakPolarHBondContact O-CB 3.29Å; I904-N908 PolarHBondContact O-N 3.18Å; N908-K910 VanDerWaalsContact C-N 3.28Å; N908-K910 PolarHBondContact O-N 3.22Å; N908-K912 WeakPolarHBondContact O-CB 3.29Å; N908-K912 PolarHBondContact O-N 3.09Å
909I65.9Low57.3Low89 Ų89112.9 Ų112.946%0.45654%0.541SS..Hα-helixtrans-61.9-34.3170.6-71166.4000111.7L905 K913L905-I909 HydrophobicContact CD2-CD1 4.05Å; L905-I909 HydrophobicContact CD2-CG1 4.47Å; L905-I909 WeakPolarHBondContact O-CB 3.43Å; L905-I909 WeakPolarHBondContact O-CD1 3.49Å; L905-I909 WeakPolarHBondContact O-CG1 3.49Å; L905-I909 PolarHBondContact O-N 3.39Å; I909-K913 HydrophobicContact CG2-CD 4.34Å; I909-K913 WeakPolarHBondContact O-CB 3.48Å; I909-K913 WeakPolarHBondContact O-CG 3.32Å; I909-K913 PolarHBondContact O-N 2.73Å; I909-K913 VanDerWaalsContact O-N 3.16Å
910K64.8Low57.8Low140 Ų140112.1 Ų112.161%0.60954%0.539SS*.Hα-helixtrans-71.2-51.6179.9-152.1170.6-171177.20112.4Q906 L907 N908 L914Q906-K910 VanDerWaalsContact O-CB 3.3Å; Q906-K910 WeakPolarHBondContact O-CB 3.36Å; Q906-K910 PolarHBondContact O-N 3.26Å; L907-K910 WeakPolarHBondContact O-CB 2.96Å; L907-K910 PolarHBondContact O-N 2.95Å; N908-K910 VanDerWaalsContact C-N 3.28Å; N908-K910 PolarHBondContact O-N 3.22Å; K910-L914 PolarHBondContact O-N 3.09Å; K910-L914 VanDerWaalsContact O-N 3.15Å
911Y54.6Low58Low176 Ų176112 Ų11269%0.6954%0.537SS*.Hα-helixtrans-71.6-34.6178.2-91.4-84.2000113.3L907 K913 L914 F915L907-Y911 PolarHBondContact O-N 3.41Å; Y911-K913 VanDerWaalsContact C-N 3.33Å; Y911-L914 PolarHBondContact O-N 2.86Å; Y911-F915 WeakPolarHBondContact O-CB 3.26Å; Y911-F915 PolarHBondContact O-N 3.26Å
912K61Low57.8Low137 Ų137111.8 Ų111.860%0.59654%0.537SS*.Hα-helixtrans-79.6-13-179.9-153.9174.8-163.5172.20113.2N908 N916N908-K912 WeakPolarHBondContact O-CB 3.29Å; N908-K912 PolarHBondContact O-N 3.09Å; K912-N916 PolarHBondContact O-ND2 3.44Å
913K62.3Low57.9Low143 Ų143112.5 Ų112.562%0.62254%0.537SS*.Hα-helixtrans-79.5-57.1160-82.1-178.7171.9-178.50111.1I909 Y911 F915 N916 E917I909-K913 HydrophobicContact CG2-CD 4.34Å; I909-K913 WeakPolarHBondContact O-CB 3.48Å; I909-K913 WeakPolarHBondContact O-CG 3.32Å; I909-K913 PolarHBondContact O-N 2.73Å; I909-K913 VanDerWaalsContact O-N 3.16Å; Y911-K913 VanDerWaalsContact C-N 3.33Å; K913-F915 PolarHBondContact O-N 3.49Å; K913-N916 PolarHBondContact O-N 3.28Å; K913-E917 PolarHBondContact O-N 2.78Å; K913-E917 VanDerWaalsContact O-N 3.15Å
914L55.4Low58Low102 Ų102112 Ų11253%0.53453%0.533SS..Hα-helixtrans-60.9-39.5-175.2-77.8163.7000114.2K910 Y911 E917 E918K910-L914 PolarHBondContact O-N 3.09Å; K910-L914 VanDerWaalsContact O-N 3.15Å; Y911-L914 PolarHBondContact O-N 2.86Å; L914-E917 WeakPolarHBondContact O-CB 3.42Å; L914-E917 PolarHBondContact O-N 2.82Å; L914-E918 PolarHBondContact O-N 3.42Å; L914-E918 VanDerWaalsContact O-N 3.16Å
915F51.3Low57.5Low122 Ų122110.6 Ų110.654%0.53553%0.527SS..Hα-helixtrans-82.9-19.9-179.2-162.4-109.6000114Y911 K913 E917 E918 L919Y911-F915 WeakPolarHBondContact O-CB 3.26Å; Y911-F915 PolarHBondContact O-N 3.26Å; K913-F915 PolarHBondContact O-N 3.49Å; F915-E917 VanDerWaalsContact C-N 3.28Å; F915-E918 HydrophobicContact CD2-CB 3.61Å; F915-E918 HydrophobicContact CD2-CG 3.98Å; F915-E918 HydrophobicContact CE2-CB 3.87Å; F915-E918 HydrophobicContact CE2-CG 4.24Å; F915-E918 HydrophobicContact CG-CB 4.31Å; F915-E918 WeakPolarHBondContact O-CB 3.35Å; F915-E918 PolarHBondContact O-N 3.04Å; F915-L919 HydrophobicContact CD1-CD1 4.06Å; F915-L919 HydrophobicContact CE1-CD1 3.9Å; F915-L919 HydrophobicContact CE1-CG 4.17Å; F915-L919 PolarHBondContact O-N 3.15Å
916N63.3Low57.2Low86 Ų86113.8 Ų113.846%0.4654%0.536SS..Hα-helixtrans-73.1-23.6165.7-89.3-48.9000111.7K912 K913 N920K912-N916 PolarHBondContact O-ND2 3.44Å; K913-N916 PolarHBondContact O-N 3.28Å; N916-N920 WeakPolarHBondContact O-CB 3.13Å; N916-N920 PolarHBondContact O-N 3.06Å; N916-N920 PolarHBondContact O-ND2 2.63Å
917E58.9Low56.9Low115 Ų115113.5 Ų113.554%0.53754%0.539SS..Hα-helixtrans-71.2-42167.3-67.8169.1156.100110.8K913 L914 F915 N920 L921K913-E917 PolarHBondContact O-N 2.78Å; K913-E917 VanDerWaalsContact O-N 3.15Å; L914-E917 WeakPolarHBondContact O-CB 3.42Å; L914-E917 PolarHBondContact O-N 2.82Å; F915-E917 VanDerWaalsContact C-N 3.28Å; E917-N920 CarbonylContact O-C 3.57Å; E917-N920 PolarHBondContact O-N 2.68Å; E917-L921 WeakPolarHBondContact O-CB 3.47Å; E917-L921 PolarHBondContact O-N 2.88Å
918E52.5Low56Low95 Ų95113.7 Ų113.744%0.44454%0.54SS..Hα-helixtrans-58.8-46.5170.6-93.6-82.8141.400113.3L914 F915 N920 L921 N922L914-E918 PolarHBondContact O-N 3.42Å; L914-E918 VanDerWaalsContact O-N 3.16Å; F915-E918 HydrophobicContact CD2-CB 3.61Å; F915-E918 HydrophobicContact CD2-CG 3.98Å; F915-E918 HydrophobicContact CE2-CB 3.87Å; F915-E918 HydrophobicContact CE2-CG 4.24Å; F915-E918 HydrophobicContact CG-CB 4.31Å; F915-E918 WeakPolarHBondContact O-CB 3.35Å; F915-E918 PolarHBondContact O-N 3.04Å; E918-N920 PolarHBondContact O-N 3.17Å; E918-L921 CarbonylContact O-C 3.47Å; E918-L921 PolarHBondContact O-N 3.05Å; E918-L921 VanDerWaalsContact O-N 3.09Å; E918-N922 PolarHBondContact O-N 2.74Å
919L60Low55.1Low84 Ų84113.9 Ų113.944%0.4454%0.541SS..Hα-helixtrans-66.1-26.2177.2-92.1161.9000113.1F915 K923F915-L919 HydrophobicContact CD1-CD1 4.06Å; F915-L919 HydrophobicContact CE1-CD1 3.9Å; F915-L919 HydrophobicContact CE1-CG 4.17Å; F915-L919 PolarHBondContact O-N 3.15Å; L919-K923 WeakPolarHBondContact O-CG 3.35Å; L919-K923 PolarHBondContact O-N 3.02Å
920N57.5Low54.6Low95 Ų95116.2 Ų116.251%0.50855%0.554SS.*Hα-helixtrans-84.8-25.9170.8-74.9-44.6000112.7N916 E917 E918 K924N916-N920 WeakPolarHBondContact O-CB 3.13Å; N916-N920 PolarHBondContact O-N 3.06Å; N916-N920 PolarHBondContact O-ND2 2.63Å; E917-N920 CarbonylContact O-C 3.57Å; E917-N920 PolarHBondContact O-N 2.68Å; E918-N920 PolarHBondContact O-N 3.17Å; N920-K924 WeakPolarHBondContact O-CG 3.47Å; N920-K924 PolarHBondContact O-N 3.13Å
921L55.7Low53.8Low87 Ų87114.8 Ų114.846%0.45555%0.552SS.*Hα-helixtrans-78-36.1173.5-88.9163.3000112.9E917 E918 K923 K924 L925E917-L921 WeakPolarHBondContact O-CB 3.47Å; E917-L921 PolarHBondContact O-N 2.88Å; E918-L921 CarbonylContact O-C 3.47Å; E918-L921 PolarHBondContact O-N 3.05Å; E918-L921 VanDerWaalsContact O-N 3.09Å; L921-K923 VanDerWaalsContact C-N 3.33Å; L921-K924 HydrophobicContact CD2-CD 4.19Å; L921-K924 CarbonylContact O-C 3.52Å; L921-K924 WeakPolarHBondContact O-CA 3.47Å; L921-K924 WeakPolarHBondContact O-CB 3.4Å; L921-K924 PolarHBondContact O-N 3.39Å; L921-L925 PolarHBondContact O-N 3.19Å
922N51.1Low53.4Low96 Ų96111 Ų11151%0.51354%0.544SS..Hα-helixtrans-69.4-32.2171.9-103.4-70000111.9E918 K924 L925E918-N922 PolarHBondContact O-N 2.74Å; N922-K924 VanDerWaalsContact C-N 3.3Å; N922-L925 PolarHBondContact O-N 2.74Å
923K58.8Low52.4Low144 Ų144111 Ų11163%0.62655%0.546SS*.Hα-helixtrans-70.7-23.8166.2-73.1175.6-178.7174.20112.8L919 L921L919-K923 WeakPolarHBondContact O-CG 3.35Å; L919-K923 PolarHBondContact O-N 3.02Å; L921-K923 VanDerWaalsContact C-N 3.33Å
924K56.3Low51.7Low121 Ų121111 Ų11153%0.52655%0.545SS..Hα-helixtrans-78.8-29.6166.7-76.1172.6175.1-179.20113.7N920 L921 N922 K926 N927 D928N920-K924 WeakPolarHBondContact O-CG 3.47Å; N920-K924 PolarHBondContact O-N 3.13Å; L921-K924 HydrophobicContact CD2-CD 4.19Å; L921-K924 CarbonylContact O-C 3.52Å; L921-K924 WeakPolarHBondContact O-CA 3.47Å; L921-K924 WeakPolarHBondContact O-CB 3.4Å; L921-K924 PolarHBondContact O-N 3.39Å; N922-K924 VanDerWaalsContact C-N 3.3Å; K924-K926 PolarHBondContact O-N 2.88Å; K924-K926 VanDerWaalsContact O-N 3.16Å; K924-N927 CarbonylContact O-C 3.35Å; K924-N927 WeakPolarHBondContact O-CA 2.85Å; K924-N927 WeakPolarHBondContact O-CB 3.45Å; K924-N927 PolarHBondContact O-N 3.16Å; K924-D928 PolarHBondContact O-N 3.43Å
925L43.5Very low51.4Low75 Ų75112.9 Ų112.939%0.39355%0.551SS.*THydrogen-bonded Turntrans-67.9-11172.4-92.8163000113.7L921 N922 D928L921-L925 PolarHBondContact O-N 3.19Å; N922-L925 PolarHBondContact O-N 2.74Å; L925-D928 HydrophobicContact CD2-CB 4.49Å
926K52.1Low51.2Low170 Ų170110.9 Ų110.974%0.73955%0.546SS*.THydrogen-bonded Turntrans-87.7-9.7167.7-148.8167.9-177.7176.70113K924K924-K926 PolarHBondContact O-N 2.88Å; K924-K926 VanDerWaalsContact O-N 3.16Å
927N50.8Low51.1Low125 Ų125111.7 Ų111.767%0.66855%0.549SS*.THydrogen-bonded Turntrans-107-36.6173.1-66.2-9.8000111.8K924 L929K924-N927 CarbonylContact O-C 3.35Å; K924-N927 WeakPolarHBondContact O-CA 2.85Å; K924-N927 WeakPolarHBondContact O-CB 3.45Å; K924-N927 PolarHBondContact O-N 3.16Å; N927-L929 PolarHBondContact O-N 3.38Å
928D39.8Very low51.2Low99 Ų99111.4 Ų111.453%0.52955%0.551SS.*SBendtrans-70.383.8164.7-69.9-14.7000108.3K924 L925 N930K924-D928 PolarHBondContact O-N 3.43Å; L925-D928 HydrophobicContact CD2-CB 4.49Å; D928-N930 PolarHBondContact O-N 3.25Å; D928-N930 VanDerWaalsContact O-N 3.16Å
929L42.5Very low51.3Low91 Ų91111 Ų11148%0.47655%0.552SS.*  trans40.773.2137.1-55.3-34.7000113.1N927 L931N927-L929 PolarHBondContact O-N 3.38Å; L929-L931 VanDerWaalsContact CA-N 3.26Å; L929-L931 HydrophobicContact CB-CB 3.56Å; L929-L931 HydrophobicContact CD1-CB 3.98Å; L929-L931 HydrophobicContact CD1-CD2 4.08Å; L929-L931 HydrophobicContact CD1-CG 4.44Å; L929-L931 HydrophobicContact CD2-CB 4.03Å; L929-L931 HydrophobicContact CD2-CD2 4.01Å; L929-L931 HydrophobicContact CG-CB 4.03Å; L929-L931 PolarHBondContact O-N 2.97Å
930N53.9Low51.5Low137 Ų137110.8 Ų110.873%0.73355%0.549SS*.SBendcis34.928.141.5-158.822.9000112.5D928D928-N930 PolarHBondContact O-N 3.25Å; D928-N930 VanDerWaalsContact O-N 3.16Å
931L47.6Very low51.7Low110 Ų110113.4 Ų113.458%0.57656%0.556SS**SBendtrans-163.3-92.5-176.5-127.971.8000104.8L929L929-L931 VanDerWaalsContact CA-N 3.26Å; L929-L931 HydrophobicContact CB-CB 3.56Å; L929-L931 HydrophobicContact CD1-CB 3.98Å; L929-L931 HydrophobicContact CD1-CD2 4.08Å; L929-L931 HydrophobicContact CD1-CG 4.44Å; L929-L931 HydrophobicContact CD2-CB 4.03Å; L929-L931 HydrophobicContact CD2-CD2 4.01Å; L929-L931 HydrophobicContact CG-CB 4.03Å; L929-L931 PolarHBondContact O-N 2.97Å
932I46.3Very low52.1Low98 Ų98113.4 Ų113.450%0.50356%0.555SS.*SBendtrans-138.1-32.5-150.3-72.7157.5000116.1L936I932-L936 HydrophobicContact CG2-CD1 3.94Å; I932-L936 PolarHBondContact O-N 3.42Å; I932-L936 VanDerWaalsContact O-N 3.1Å
933Q40.6Very low52.5Low137 Ų137111.5 Ų111.564%0.6454%0.544SS*.THydrogen-bonded Turntrans-81-27.2-158.7-82.5-176.6-12.200117.9L936 I937Q933-L936 CarbonylContact O-C 3.46Å; Q933-L936 WeakPolarHBondContact O-CA 3.27Å; Q933-L936 WeakPolarHBondContact O-CB 3.26Å; Q933-L936 PolarHBondContact O-N 3.13Å; Q933-I937 PolarHBondContact O-N 2.96Å; Q933-I937 VanDerWaalsContact O-N 3.11Å
934K47Very low52.9Low142 Ų142108.3 Ų108.362%0.61753%0.534SS*.THydrogen-bonded Turntrans-90.4-19.3174.2-80.6179.8179.8173.70113.9I937 N938K934-I937 HydrophobicContact CG-CD1 4.33Å; K934-I937 PolarHBondContact O-N 2.85Å; K934-N938 PolarHBondContact O-N 2.55Å
935Q50.5Low53.5Low141 Ų141108.9 Ų108.966%0.65954%0.539SS*.Hα-helixtrans-58.3-43.1154-77.3-178.2-17.400109.3I937 N938 L939Q935-I937 VanDerWaalsContact C-N 3.31Å; Q935-I937 PolarHBondContact O-N 3.11Å; Q935-N938 PolarHBondContact O-N 3.14Å; Q935-L939 WeakPolarHBondContact O-CA 3.34Å; Q935-L939 WeakPolarHBondContact O-CB 3.39Å; Q935-L939 WeakPolarHBondContact O-CD1 3.29Å; Q935-L939 WeakPolarHBondContact O-CG 3.47Å; Q935-L939 PolarHBondContact O-N 2.65Å
936L46.5Very low54.5Low81 Ų81109.7 Ų109.742%0.42454%0.543SS..Hα-helixtrans-62.3-24.1172.2-104.7167.8000115.5I932 Q933 L939 Q940I932-L936 HydrophobicContact CG2-CD1 3.94Å; I932-L936 PolarHBondContact O-N 3.42Å; I932-L936 VanDerWaalsContact O-N 3.1Å; Q933-L936 CarbonylContact O-C 3.46Å; Q933-L936 WeakPolarHBondContact O-CA 3.27Å; Q933-L936 WeakPolarHBondContact O-CB 3.26Å; Q933-L936 PolarHBondContact O-N 3.13Å; L936-L939 CarbonylContact O-C 3.57Å; L936-Q940 WeakPolarHBondContact O-CA 3.3Å; L936-Q940 WeakPolarHBondContact O-CB 3.11Å; L936-Q940 PolarHBondContact O-N 3.24Å
937I62.1Low55.3Low102 Ų102104.2 Ų104.252%0.52352%0.522SS..Hα-helixtrans-93.3-28.8177.7-69167.8000112.9Q933 K934 Q935 L939 Q940 K941Q933-I937 PolarHBondContact O-N 2.96Å; Q933-I937 VanDerWaalsContact O-N 3.11Å; K934-I937 HydrophobicContact CG-CD1 4.33Å; K934-I937 PolarHBondContact O-N 2.85Å; Q935-I937 VanDerWaalsContact C-N 3.31Å; Q935-I937 PolarHBondContact O-N 3.11Å; I937-L939 VanDerWaalsContact C-N 3.35Å; I937-Q940 VanDerWaalsContact C-N 3.27Å; I937-Q940 CarbonylContact O-C 3.55Å; I937-Q940 WeakPolarHBondContact O-CA 3.34Å; I937-Q940 WeakPolarHBondContact O-CB 3.36Å; I937-Q940 PolarHBondContact O-N 3.38Å; I937-Q940 VanDerWaalsContact O-N 3.07Å; I937-K941 PolarHBondContact O-N 2.88Å
938N60.9Low56.2Low109 Ų109104 Ų10458%0.58352%0.52SS*.Hα-helixtrans-72.7-35.9164.7-147.626.6000110.2K934 Q935 Q940 K941 I942K934-N938 PolarHBondContact O-N 2.55Å; Q935-N938 PolarHBondContact O-N 3.14Å; N938-Q940 VanDerWaalsContact C-N 3.27Å; N938-K941 PolarHBondContact O-N 2.65Å; N938-I942 WeakPolarHBondContact O-CB 3.23Å; N938-I942 VanDerWaalsContact O-CG1 3.28Å; N938-I942 WeakPolarHBondContact O-CG1 3.27Å; N938-I942 PolarHBondContact O-N 2.96Å
939L53.6Low57.6Low86 Ų86101.9 Ų101.945%0.4551%0.509SS..Hα-helixtrans-60.7-32.9159.4-74.6165.5000111.3Q935 L936 I937 I942 I943Q935-L939 WeakPolarHBondContact O-CA 3.34Å; Q935-L939 WeakPolarHBondContact O-CB 3.39Å; Q935-L939 WeakPolarHBondContact O-CD1 3.29Å; Q935-L939 WeakPolarHBondContact O-CG 3.47Å; Q935-L939 PolarHBondContact O-N 2.65Å; L936-L939 CarbonylContact O-C 3.57Å; I937-L939 VanDerWaalsContact C-N 3.35Å; L939-I942 CarbonylContact O-C 3.5Å; L939-I942 PolarHBondContact O-N 2.91Å; L939-I943 HydrophobicContact CB-CD1 4.37Å; L939-I943 WeakPolarHBondContact O-CA 3.33Å; L939-I943 WeakPolarHBondContact O-CB 3.44Å; L939-I943 WeakPolarHBondContact O-CD1 3.43Å; L939-I943 WeakPolarHBondContact O-CG1 3.28Å; L939-I943 PolarHBondContact O-N 2.86Å
940Q64.4Low59Low81 Ų81102.9 Ų102.938%0.37951%0.509SS..Hα-helixtrans-68.1-39.5175.9-16962.342.800111.4L936 I937 N938 I943 D944L936-Q940 WeakPolarHBondContact O-CA 3.3Å; L936-Q940 WeakPolarHBondContact O-CB 3.11Å; L936-Q940 PolarHBondContact O-N 3.24Å; I937-Q940 VanDerWaalsContact C-N 3.27Å; I937-Q940 CarbonylContact O-C 3.55Å; I937-Q940 WeakPolarHBondContact O-CA 3.34Å; I937-Q940 WeakPolarHBondContact O-CB 3.36Å; I937-Q940 PolarHBondContact O-N 3.38Å; I937-Q940 VanDerWaalsContact O-N 3.07Å; N938-Q940 VanDerWaalsContact C-N 3.27Å; Q940-I943 CarbonylContact O-C 3.6Å; Q940-I943 WeakPolarHBondContact O-CA 3.45Å; Q940-I943 WeakPolarHBondContact O-CB 3.34Å; Q940-I943 PolarHBondContact O-N 2.94Å; Q940-D944 PolarHBondContact NE2-OD1 3.05Å; Q940-D944 VanDerWaalsContact NE2-OD1 3.12Å; Q940-D944 WeakPolarHBondContact O-CB 3.21Å; Q940-D944 PolarHBondContact O-N 3.03Å
941K62.8Low59.8Low150 Ų150101 Ų10165%0.65250%0.499SS*.Hα-helixtrans-67.7-38.2171.6-78.4-171.5174-175.30112.6I937 N938 I943 D944 Q945I937-K941 PolarHBondContact O-N 2.88Å; N938-K941 PolarHBondContact O-N 2.65Å; K941-I943 VanDerWaalsContact C-N 3.28Å; K941-D944 PolarHBondContact O-N 2.81Å; K941-Q945 WeakPolarHBondContact O-CB 3.39Å; K941-Q945 PolarHBondContact O-N 2.96Å
942I62.5Low61.1Low86 Ų86102.1 Ų102.144%0.44150%0.499SS..Hα-helixtrans-66.9-32.1170.2-67.2164.7000110.4N938 L939 L946N938-I942 WeakPolarHBondContact O-CB 3.23Å; N938-I942 VanDerWaalsContact O-CG1 3.28Å; N938-I942 WeakPolarHBondContact O-CG1 3.27Å; N938-I942 PolarHBondContact O-N 2.96Å; L939-I942 CarbonylContact O-C 3.5Å; L939-I942 PolarHBondContact O-N 2.91Å; I942-L946 HydrophobicContact CG2-CD1 3.77Å; I942-L946 HydrophobicContact CG2-CG 4.19Å; I942-L946 WeakPolarHBondContact O-CA 3.09Å; I942-L946 WeakPolarHBondContact O-CB 3.38Å; I942-L946 WeakPolarHBondContact O-CD1 3.44Å; I942-L946 WeakPolarHBondContact O-CG 3.32Å; I942-L946 PolarHBondContact O-N 3.02Å
943I60.7Low62.3Low57 Ų57103.9 Ų103.929%0.29250%0.5SS..Hα-helixtrans-72.9-30.1173.9-77.3159.8000110.1L939 Q940 K941 L946 N947L939-I943 HydrophobicContact CB-CD1 4.37Å; L939-I943 WeakPolarHBondContact O-CA 3.33Å; L939-I943 WeakPolarHBondContact O-CB 3.44Å; L939-I943 WeakPolarHBondContact O-CD1 3.43Å; L939-I943 WeakPolarHBondContact O-CG1 3.28Å; L939-I943 PolarHBondContact O-N 2.86Å; Q940-I943 CarbonylContact O-C 3.6Å; Q940-I943 WeakPolarHBondContact O-CA 3.45Å; Q940-I943 WeakPolarHBondContact O-CB 3.34Å; Q940-I943 PolarHBondContact O-N 2.94Å; K941-I943 VanDerWaalsContact C-N 3.28Å; I943-L946 CarbonylContact O-C 3.44Å; I943-L946 VanDerWaalsContact O-C 3.27Å; I943-N947 WeakPolarHBondContact CG2-ND2 3.5Å; I943-N947 WeakPolarHBondContact O-CA 3.35Å; I943-N947 WeakPolarHBondContact O-CB 3.34Å; I943-N947 PolarHBondContact O-N 2.86Å; I943-N947 PolarHBondContact O-ND2 2.93Å
944D66.9Low63.9Low76 Ų76100.4 Ų100.441%0.40649%0.486SS..Hα-helixtrans-79.4-36.3176.1-67.2-22.5000110.9Q940 K941 N947 L948Q940-D944 PolarHBondContact NE2-OD1 3.05Å; Q940-D944 VanDerWaalsContact NE2-OD1 3.12Å; Q940-D944 WeakPolarHBondContact O-CB 3.21Å; Q940-D944 PolarHBondContact O-N 3.03Å; K941-D944 PolarHBondContact O-N 2.81Å; D944-N947 PolarHBondContact O-N 3.23Å; D944-N947 VanDerWaalsContact O-N 3.16Å; D944-N947 PolarHBondContact OD1-ND2 2.94Å; D944-L948 PolarHBondContact O-N 3.28Å
945Q68.5Low65.3Low134 Ų13498.3 Ų98.363%0.62648%0.481SS*.Hα-helixtrans-62.6-47.1165.4-152.593.719.100110.8K941 N947 L948 D949K941-Q945 WeakPolarHBondContact O-CB 3.39Å; K941-Q945 PolarHBondContact O-N 2.96Å; Q945-N947 PolarHBondContact O-N 3.34Å; Q945-L948 WeakPolarHBondContact O-CB 3.48Å; Q945-L948 PolarHBondContact O-N 2.84Å; Q945-D949 PolarHBondContact O-N 2.83Å
946L64.6Low66.4Low92 Ų9296.4 Ų96.448%0.48247%0.472SS..Hα-helixtrans-71.1-10171.6-70.8168.8000112.4I942 I943 K950I942-L946 HydrophobicContact CG2-CD1 3.77Å; I942-L946 HydrophobicContact CG2-CG 4.19Å; I942-L946 WeakPolarHBondContact O-CA 3.09Å; I942-L946 WeakPolarHBondContact O-CB 3.38Å; I942-L946 WeakPolarHBondContact O-CD1 3.44Å; I942-L946 WeakPolarHBondContact O-CG 3.32Å; I942-L946 PolarHBondContact O-N 3.02Å; I943-L946 CarbonylContact O-C 3.44Å; I943-L946 VanDerWaalsContact O-C 3.27Å; L946-K950 WeakPolarHBondContact O-CA 3.36Å; L946-K950 WeakPolarHBondContact O-CB 3.43Å; L946-K950 PolarHBondContact O-N 3.26Å
947N68.7Low67.7Low55 Ų5596.2 Ų96.229%0.29447%0.47SS..Hα-helixtrans-88.3-33.3173-82.4-36.3000109.2I943 D944 Q945 N951I943-N947 WeakPolarHBondContact CG2-ND2 3.5Å; I943-N947 WeakPolarHBondContact O-CA 3.35Å; I943-N947 WeakPolarHBondContact O-CB 3.34Å; I943-N947 PolarHBondContact O-N 2.86Å; I943-N947 PolarHBondContact O-ND2 2.93Å; D944-N947 PolarHBondContact O-N 3.23Å; D944-N947 VanDerWaalsContact O-N 3.16Å; D944-N947 PolarHBondContact OD1-ND2 2.94Å; Q945-N947 PolarHBondContact O-N 3.34Å; N947-N951 WeakPolarHBondContact O-CB 3.49Å; N947-N951 PolarHBondContact O-N 3.39Å
948L70.6Confident68.4Low121 Ų12198 Ų9863%0.63448%0.476SS*.Hα-helixtrans-62.5-47.4163.7-86161.4000110.9D944 Q945 N951 K952D944-L948 PolarHBondContact O-N 3.28Å; Q945-L948 WeakPolarHBondContact O-CB 3.48Å; Q945-L948 PolarHBondContact O-N 2.84Å; L948-N951 PolarHBondContact O-N 2.85Å; L948-K952 PolarHBondContact O-N 3.24Å; L948-K952 VanDerWaalsContact O-N 3.13Å
949D69.5Low69.2Low54 Ų5499.1 Ų99.129%0.28948%0.476SS..Hα-helixtrans-72.4-31.7174.3-72.1-33.3000112.4Q945 N951 K952 Y953Q945-D949 PolarHBondContact O-N 2.83Å; D949-N951 VanDerWaalsContact C-N 3.26Å; D949-N951 PolarHBondContact O-N 2.88Å; D949-K952 CarbonylContact O-C 3.27Å; D949-K952 WeakPolarHBondContact O-CB 3.32Å; D949-K952 PolarHBondContact O-N 3.26Å; D949-K952 VanDerWaalsContact O-N 3.14Å; D949-K952 IonicContact OD1-NZ 2.73Å; D949-K952 PolarHBondContact OD1-NZ 2.86Å; D949-Y953 HydrophobicContact CB-CD2 4.36Å; D949-Y953 HydrophobicContact CB-CE2 4.17Å; D949-Y953 WeakPolarHBondContact O-CB 3.38Å; D949-Y953 WeakPolarHBondContact O-CD2 3.38Å; D949-Y953 PolarHBondContact O-N 2.58Å
950K70.1Confident70.2Confident111 Ų11199.3 Ų99.348%0.48348%0.477SS..Hα-helixtrans-67.5-24.8169.4179.7-176.1179.6-175.40111.9L946 Y953 N954L946-K950 WeakPolarHBondContact O-CA 3.36Å; L946-K950 WeakPolarHBondContact O-CB 3.43Å; L946-K950 PolarHBondContact O-N 3.26Å; K950-Y953 CarbonylContact O-C 3.46Å; K950-N954 WeakPolarHBondContact O-CA 3.26Å; K950-N954 WeakPolarHBondContact O-CB 2.94Å; K950-N954 PolarHBondContact O-N 3Å; K950-N954 PolarHBondContact O-ND2 2.83Å
951N71.9Confident70.8Confident97 Ų9799.7 Ų99.752%0.51948%0.482SS..Hα-helixtrans-74.2-36169.4-83.7-18.5000111.7N947 L948 D949 N954 I955N947-N951 WeakPolarHBondContact O-CB 3.49Å; N947-N951 PolarHBondContact O-N 3.39Å; L948-N951 PolarHBondContact O-N 2.85Å; D949-N951 VanDerWaalsContact C-N 3.26Å; D949-N951 PolarHBondContact O-N 2.88Å; N951-N954 PolarHBondContact O-N 2.86Å; N951-I955 WeakPolarHBondContact O-CG1 3.41Å; N951-I955 PolarHBondContact O-N 2.69Å; N951-I955 VanDerWaalsContact O-N 3.1Å
952K74.4Confident71.5Confident135 Ų13596.8 Ų96.859%0.58748%0.477SS*.Hα-helixtrans-62.3-50.1165.9-70.6176.8-173.3154.10111.4L948 D949 N954 I955 E956L948-K952 PolarHBondContact O-N 3.24Å; L948-K952 VanDerWaalsContact O-N 3.13Å; D949-K952 CarbonylContact O-C 3.27Å; D949-K952 WeakPolarHBondContact O-CB 3.32Å; D949-K952 PolarHBondContact O-N 3.26Å; D949-K952 VanDerWaalsContact O-N 3.14Å; D949-K952 IonicContact OD1-NZ 2.73Å; D949-K952 PolarHBondContact OD1-NZ 2.86Å; K952-N954 VanDerWaalsContact C-N 3.26Å; K952-N954 PolarHBondContact O-N 3.19Å; K952-I955 WeakPolarHBondContact O-CB 3.43Å; K952-I955 PolarHBondContact O-N 2.79Å; K952-I955 VanDerWaalsContact O-N 3.09Å; K952-E956 PolarHBondContact O-N 3.14Å
953Y72.2Confident72.2Confident135 Ų13597 Ų9753%0.52948%0.478SS..Hα-helixtrans-65.6-25.1177.1-66.1-54.3000112.5D949 K950 E956 I957D949-Y953 HydrophobicContact CB-CD2 4.36Å; D949-Y953 HydrophobicContact CB-CE2 4.17Å; D949-Y953 WeakPolarHBondContact O-CB 3.38Å; D949-Y953 WeakPolarHBondContact O-CD2 3.38Å; D949-Y953 PolarHBondContact O-N 2.58Å; K950-Y953 CarbonylContact O-C 3.46Å; Y953-E956 WeakPolarHBondContact CD1-OE2 3.48Å; Y953-E956 CarbonylContact O-C 3.55Å; Y953-E956 PolarHBondContact O-N 3.28Å; Y953-I957 WeakPolarHBondContact O-CA 3.44Å; Y953-I957 WeakPolarHBondContact O-CB 3.49Å; Y953-I957 WeakPolarHBondContact O-CD1 3.45Å; Y953-I957 WeakPolarHBondContact O-CG1 3.45Å; Y953-I957 PolarHBondContact O-N 3.02Å
954N74.1Confident73Confident63 Ų6397.7 Ų97.734%0.33748%0.481SS..Hα-helixtrans-72.6-35.8171.8-81.8-23.7000111K950 N951 K952 I957 Q958K950-N954 WeakPolarHBondContact O-CA 3.26Å; K950-N954 WeakPolarHBondContact O-CB 2.94Å; K950-N954 PolarHBondContact O-N 3Å; K950-N954 PolarHBondContact O-ND2 2.83Å; N951-N954 PolarHBondContact O-N 2.86Å; K952-N954 VanDerWaalsContact C-N 3.26Å; K952-N954 PolarHBondContact O-N 3.19Å; N954-I957 PolarHBondContact O-N 3.44Å; N954-Q958 WeakPolarHBondContact O-CB 3.41Å; N954-Q958 WeakPolarHBondContact O-CG 3.47Å; N954-Q958 PolarHBondContact O-N 3Å
955I76.4Confident73.6Confident98 Ų98100.4 Ų100.450%0.50349%0.49SS..Hα-helixtrans-68.3-38.5171.5-66.8164.3000109.9N951 K952 Q958 K959N951-I955 WeakPolarHBondContact O-CG1 3.41Å; N951-I955 PolarHBondContact O-N 2.69Å; N951-I955 VanDerWaalsContact O-N 3.1Å; K952-I955 WeakPolarHBondContact O-CB 3.43Å; K952-I955 PolarHBondContact O-N 2.79Å; K952-I955 VanDerWaalsContact O-N 3.09Å; I955-Q958 PolarHBondContact O-N 3.27Å; I955-K959 WeakPolarHBondContact O-CG 3.16Å; I955-K959 PolarHBondContact O-N 2.71Å; I955-K959 VanDerWaalsContact O-N 3.1Å
956E73.2Confident74.2Confident102 Ų10298.5 Ų98.548%0.47748%0.484SS..Hα-helixtrans-69.9-35.3171-71.5-173.1142.300113K952 Y953 K959 L960K952-E956 PolarHBondContact O-N 3.14Å; Y953-E956 WeakPolarHBondContact CD1-OE2 3.48Å; Y953-E956 CarbonylContact O-C 3.55Å; Y953-E956 PolarHBondContact O-N 3.28Å; E956-K959 CarbonylContact O-C 3.59Å; E956-K959 PolarHBondContact O-N 2.74Å; E956-L960 VanDerWaalsContact O-CB 3.28Å; E956-L960 WeakPolarHBondContact O-CB 3.42Å; E956-L960 VanDerWaalsContact O-CG 3.29Å; E956-L960 WeakPolarHBondContact O-CG 3.38Å; E956-L960 PolarHBondContact O-N 3.02Å
957I74.8Confident75Confident76 Ų7698.7 Ų98.739%0.3949%0.485SS..Hα-helixtrans-68.9-35173.7-76.7159.1000110.1Y953 N954 L960 N961Y953-I957 WeakPolarHBondContact O-CA 3.44Å; Y953-I957 WeakPolarHBondContact O-CB 3.49Å; Y953-I957 WeakPolarHBondContact O-CD1 3.45Å; Y953-I957 WeakPolarHBondContact O-CG1 3.45Å; Y953-I957 PolarHBondContact O-N 3.02Å; N954-I957 PolarHBondContact O-N 3.44Å; I957-L960 PolarHBondContact O-N 2.84Å; I957-N961 WeakPolarHBondContact O-CA 3.29Å; I957-N961 WeakPolarHBondContact O-CB 3.39Å; I957-N961 PolarHBondContact O-N 3.06Å; I957-N961 PolarHBondContact O-ND2 3.34Å; I957-N961 PolarHBondContact O-OD1 2.78Å
958Q75.8Confident75.5Confident140 Ų140101.3 Ų101.365%0.65450%0.495SS*.Hα-helixtrans-65.5-40.9171.1-81.7-175.3-24.300111.9N954 I955 N961 T962N954-Q958 WeakPolarHBondContact O-CB 3.41Å; N954-Q958 WeakPolarHBondContact O-CG 3.47Å; N954-Q958 PolarHBondContact O-N 3Å; I955-Q958 PolarHBondContact O-N 3.27Å; Q958-N961 PolarHBondContact O-N 3.49Å; Q958-T962 PolarHBondContact O-N 2.83Å; Q958-T962 PolarHBondContact O-OG1 2.89Å
959K77.5Confident76.1Confident132 Ų132101.6 Ų101.657%0.57449%0.491SS*.Hα-helixtrans-64.3-46.3172.3-70.5173.9-179.1-179.60111.8I955 E956 N961 T962 I963I955-K959 WeakPolarHBondContact O-CG 3.16Å; I955-K959 PolarHBondContact O-N 2.71Å; I955-K959 VanDerWaalsContact O-N 3.1Å; E956-K959 CarbonylContact O-C 3.59Å; E956-K959 PolarHBondContact O-N 2.74Å; K959-N961 VanDerWaalsContact C-N 3.31Å; K959-N961 PolarHBondContact O-N 3.44Å; K959-T962 WeakPolarHBondContact CA-OG1 3.46Å; K959-T962 PolarHBondContact O-N 3.12Å; K959-T962 PolarHBondContact O-OG1 2.96Å; K959-I963 VanDerWaalsContact O-CG1 3.3Å; K959-I963 WeakPolarHBondContact O-CG1 3.33Å; K959-I963 PolarHBondContact O-N 3.22Å
960L75.6Confident76.6Confident91 Ų91103 Ų10348%0.47650%0.499SS..Hα-helixtrans-64.3-34.8176.1-76.5163.8000111.4E956 I957 I963 I964E956-L960 VanDerWaalsContact O-CB 3.28Å; E956-L960 WeakPolarHBondContact O-CB 3.42Å; E956-L960 VanDerWaalsContact O-CG 3.29Å; E956-L960 WeakPolarHBondContact O-CG 3.38Å; E956-L960 PolarHBondContact O-N 3.02Å; I957-L960 PolarHBondContact O-N 2.84Å; L960-I963 CarbonylContact O-C 3.58Å; L960-I963 PolarHBondContact O-N 2.89Å; L960-I964 VanDerWaalsContact O-CB 3.32Å; L960-I964 WeakPolarHBondContact O-CB 3.19Å; L960-I964 WeakPolarHBondContact O-CD1 3.47Å; L960-I964 WeakPolarHBondContact O-CG1 3.5Å; L960-I964 PolarHBondContact O-N 2.97Å
961N75.4Confident77Confident89 Ų89102.5 Ų102.548%0.47650%0.501SS..Hα-helixtrans-71.9-32.3176.2-74-9.9000112I957 Q958 K959 I963 F965I957-N961 WeakPolarHBondContact O-CA 3.29Å; I957-N961 WeakPolarHBondContact O-CB 3.39Å; I957-N961 PolarHBondContact O-N 3.06Å; I957-N961 PolarHBondContact O-ND2 3.34Å; I957-N961 PolarHBondContact O-OD1 2.78Å; Q958-N961 PolarHBondContact O-N 3.49Å; K959-N961 VanDerWaalsContact C-N 3.31Å; K959-N961 PolarHBondContact O-N 3.44Å; N961-I963 VanDerWaalsContact C-N 3.33Å; N961-F965 VanDerWaalsContact O-CB 3.28Å; N961-F965 WeakPolarHBondContact O-CB 3.31Å; N961-F965 PolarHBondContact O-N 2.87Å
962T78Confident77.4Confident89 Ų89105 Ų10555%0.54651%0.509SS..Hα-helixtrans-68.9-34.2168.919.40000111.8Q958 K959 N966Q958-T962 PolarHBondContact O-N 2.83Å; Q958-T962 PolarHBondContact O-OG1 2.89Å; K959-T962 WeakPolarHBondContact CA-OG1 3.46Å; K959-T962 PolarHBondContact O-N 3.12Å; K959-T962 PolarHBondContact O-OG1 2.96Å; T962-N966 PolarHBondContact O-N 3.14Å; T962-N966 PolarHBondContact O-ND2 2.94Å
963I77.4Confident77.7Confident90 Ų90103 Ų10346%0.46251%0.505SS..Hα-helixtrans-70.7-43.9173.2-65.4162.7000110.9K959 L960 N961 N966 L967K959-I963 VanDerWaalsContact O-CG1 3.3Å; K959-I963 WeakPolarHBondContact O-CG1 3.33Å; K959-I963 PolarHBondContact O-N 3.22Å; L960-I963 CarbonylContact O-C 3.58Å; L960-I963 PolarHBondContact O-N 2.89Å; N961-I963 VanDerWaalsContact C-N 3.33Å; I963-N966 PolarHBondContact O-N 3.13Å; I963-L967 HydrophobicContact CG2-CD1 3.83Å; I963-L967 HydrophobicContact CG2-CG 4.33Å; I963-L967 WeakPolarHBondContact O-CB 3.29Å; I963-L967 VanDerWaalsContact O-CG 3.32Å; I963-L967 WeakPolarHBondContact O-CG 3.33Å; I963-L967 PolarHBondContact O-N 2.74Å
964I77.9Confident78.1Confident71 Ų71101 Ų10136%0.36450%0.503SS..Hα-helixtrans-63.2-43.8177.1-72.2161.1000110.1L960 N966 L967 E968L960-I964 VanDerWaalsContact O-CB 3.32Å; L960-I964 WeakPolarHBondContact O-CB 3.19Å; L960-I964 WeakPolarHBondContact O-CD1 3.47Å; L960-I964 WeakPolarHBondContact O-CG1 3.5Å; L960-I964 PolarHBondContact O-N 2.97Å; I964-N966 VanDerWaalsContact C-N 3.28Å; I964-N966 PolarHBondContact O-N 2.76Å; I964-L967 CarbonylContact O-C 3.4Å; I964-L967 PolarHBondContact O-N 2.79Å; I964-L967 VanDerWaalsContact O-N 3.08Å; I964-E968 HydrophobicContact CG2-CG 3.99Å; I964-E968 WeakPolarHBondContact O-CB 3.29Å; I964-E968 WeakPolarHBondContact O-CG 3.43Å; I964-E968 PolarHBondContact O-N 2.89Å
965F79.7Confident78.4Confident134 Ų134104.1 Ų104.159%0.58852%0.516SS*.Hα-helixtrans-59.8-38.1176.3-178.7-101.1000112.6N961 K969N961-F965 VanDerWaalsContact O-CB 3.28Å; N961-F965 WeakPolarHBondContact O-CB 3.31Å; N961-F965 PolarHBondContact O-N 2.87Å; F965-K969 PolarHBondContact O-N 3.21Å; F965-K969 VanDerWaalsContact O-N 3.15Å
966N81.3Confident78.7Confident93 Ų93105.9 Ų105.950%0.49752%0.52SS..Hα-helixtrans-68.9-43.7172.7-68.9-22.9000111.3T962 I963 I964 E968 K969 D970T962-N966 PolarHBondContact O-N 3.14Å; T962-N966 PolarHBondContact O-ND2 2.94Å; I963-N966 PolarHBondContact O-N 3.13Å; I964-N966 VanDerWaalsContact C-N 3.28Å; I964-N966 PolarHBondContact O-N 2.76Å; N966-E968 VanDerWaalsContact C-N 3.34Å; N966-E968 PolarHBondContact O-N 2.81Å; N966-K969 WeakPolarHBondContact O-CB 3.37Å; N966-K969 PolarHBondContact O-N 2.61Å; N966-D970 PolarHBondContact O-N 3.06Å
967L80.7Confident79.1Confident96 Ų96105.2 Ų105.250%0.50352%0.519SS..Hα-helixtrans-66.1-30176.2-70.5170.9000113.6I963 I964 L971I963-L967 HydrophobicContact CG2-CD1 3.83Å; I963-L967 HydrophobicContact CG2-CG 4.33Å; I963-L967 WeakPolarHBondContact O-CB 3.29Å; I963-L967 VanDerWaalsContact O-CG 3.32Å; I963-L967 WeakPolarHBondContact O-CG 3.33Å; I963-L967 PolarHBondContact O-N 2.74Å; I964-L967 CarbonylContact O-C 3.4Å; I964-L967 PolarHBondContact O-N 2.79Å; I964-L967 VanDerWaalsContact O-N 3.08Å; L967-L971 VanDerWaalsContact O-CB 3.24Å; L967-L971 WeakPolarHBondContact O-CB 3.34Å; L967-L971 VanDerWaalsContact O-CG 3.32Å; L967-L971 WeakPolarHBondContact O-CG 3.21Å; L967-L971 PolarHBondContact O-N 3.07Å
968E79.6Confident79.5Confident110 Ų110105.4 Ų105.451%0.51452%0.52SS..Hα-helixtrans-70.8-39.3173.9-79.2178.2159.300110.6I964 N966 L971 Q972I964-E968 HydrophobicContact CG2-CG 3.99Å; I964-E968 WeakPolarHBondContact O-CB 3.29Å; I964-E968 WeakPolarHBondContact O-CG 3.43Å; I964-E968 PolarHBondContact O-N 2.89Å; N966-E968 VanDerWaalsContact C-N 3.34Å; N966-E968 PolarHBondContact O-N 2.81Å; E968-L971 PolarHBondContact O-N 3.43Å; E968-Q972 PolarHBondContact O-N 3.01Å
969K82.5Confident79.8Confident127 Ų127104.9 Ų104.955%0.55252%0.518SS*.Hα-helixtrans-66.3-40.6172.5-167.3-178.6-178.6-174.40111.6F965 N966 Q972 N973F965-K969 PolarHBondContact O-N 3.21Å; F965-K969 VanDerWaalsContact O-N 3.15Å; N966-K969 WeakPolarHBondContact O-CB 3.37Å; N966-K969 PolarHBondContact O-N 2.61Å; K969-Q972 PolarHBondContact O-N 3.46Å; K969-N973 PolarHBondContact O-N 2.84Å; K969-N973 VanDerWaalsContact O-N 3.1Å; K969-N973 PolarHBondContact O-ND2 2.83Å
970D81.3Confident80.1Confident85 Ų85104.2 Ų104.246%0.45552%0.517SS..Hα-helixtrans-68.5-35.6173.5-68.8-21.2000111.6N966 N973 L974N966-D970 PolarHBondContact O-N 3.06Å; D970-N973 PolarHBondContact O-N 3.43Å; D970-L974 WeakPolarHBondContact O-CB 3.39Å; D970-L974 WeakPolarHBondContact O-CG 3.36Å; D970-L974 PolarHBondContact O-N 2.84Å
971L78.3Confident80.4Confident99 Ų99104.5 Ų104.552%0.51851%0.511SS..Hα-helixtrans-64.9-36.7171.4-88.4168.2000112.6L967 E968 L974 H975L967-L971 VanDerWaalsContact O-CB 3.24Å; L967-L971 WeakPolarHBondContact O-CB 3.34Å; L967-L971 VanDerWaalsContact O-CG 3.32Å; L967-L971 WeakPolarHBondContact O-CG 3.21Å; L967-L971 PolarHBondContact O-N 3.07Å; E968-L971 PolarHBondContact O-N 3.43Å; L971-L974 PolarHBondContact O-N 2.86Å; L971-H975 WeakPolarHBondContact O-CB 3.24Å; L971-H975 PolarHBondContact O-N 3.36Å
972Q79.6Confident80.7Confident149 Ų149104.4 Ų104.470%0.69651%0.511SS*.Hα-helixtrans-65.6-42.6173.2-81.5-171.5-19.300111.9E968 K969 H975 K976E968-Q972 PolarHBondContact O-N 3.01Å; K969-Q972 PolarHBondContact O-N 3.46Å; Q972-H975 PolarHBondContact O-N 2.95Å; Q972-K976 PolarHBondContact O-N 2.88Å
973N80.9Confident81Confident93 Ų93105.1 Ų105.150%0.49751%0.511SS..Hα-helixtrans-62.9-47.2173.7-68.3-30.1000110.9K969 D970 H975 K976 D977K969-N973 PolarHBondContact O-N 2.84Å; K969-N973 VanDerWaalsContact O-N 3.1Å; K969-N973 PolarHBondContact O-ND2 2.83Å; D970-N973 PolarHBondContact O-N 3.43Å; N973-H975 VanDerWaalsContact C-N 3.31Å; N973-H975 PolarHBondContact O-N 2.93Å; N973-K976 WeakPolarHBondContact O-CB 3.47Å; N973-K976 PolarHBondContact O-N 2.81Å; N973-K976 VanDerWaalsContact O-N 3.11Å; N973-D977 PolarHBondContact O-N 2.79Å
974L81.4Confident81.3Confident94 Ų94104.2 Ų104.249%0.49251%0.51SS..Hα-helixtrans-60.7-35.4175.1-83.5161.7000112.9D970 L971 K976 D977 I978D970-L974 WeakPolarHBondContact O-CB 3.39Å; D970-L974 WeakPolarHBondContact O-CG 3.36Å; D970-L974 PolarHBondContact O-N 2.84Å; L971-L974 PolarHBondContact O-N 2.86Å; L974-K976 VanDerWaalsContact C-N 3.31Å; L974-K976 PolarHBondContact O-N 2.98Å; L974-D977 PolarHBondContact O-N 3.24Å; L974-I978 WeakPolarHBondContact O-CB 3.34Å; L974-I978 WeakPolarHBondContact O-CD1 3.5Å; L974-I978 WeakPolarHBondContact O-CG1 3.27Å; L974-I978 PolarHBondContact O-N 2.86Å
975H79.9Confident81.6Confident128 Ų128104.4 Ų104.459%0.59351%0.511SS*.Hα-helixtrans-63-39.2174.6-116.466.8000111.7L971 Q972 N973 I978 Q979L971-H975 WeakPolarHBondContact O-CB 3.24Å; L971-H975 PolarHBondContact O-N 3.36Å; Q972-H975 PolarHBondContact O-N 2.95Å; N973-H975 VanDerWaalsContact C-N 3.31Å; N973-H975 PolarHBondContact O-N 2.93Å; H975-I978 PolarHBondContact O-N 3.45Å; H975-Q979 WeakPolarHBondContact O-CB 3.36Å; H975-Q979 PolarHBondContact O-N 2.81Å
976K83Confident81.6Confident135 Ų135104.5 Ų104.559%0.58751%0.514SS*.Hα-helixtrans-68.1-43.9177.1-162.6-176.4176.9-166.20111.6Q972 N973 L974 I978 Q979 E980Q972-K976 PolarHBondContact O-N 2.88Å; N973-K976 WeakPolarHBondContact O-CB 3.47Å; N973-K976 PolarHBondContact O-N 2.81Å; N973-K976 VanDerWaalsContact O-N 3.11Å; L974-K976 VanDerWaalsContact C-N 3.31Å; L974-K976 PolarHBondContact O-N 2.98Å; K976-I978 VanDerWaalsContact C-N 3.32Å; K976-I978 PolarHBondContact O-N 3.13Å; K976-Q979 PolarHBondContact O-N 3.2Å; K976-E980 PolarHBondContact O-N 3.48Å
977D81.3Confident81.7Confident88 Ų88105.6 Ų105.647%0.47152%0.519SS..Hα-helixtrans-64-34.8173.8-77.416.9000112.5N973 L974 R981N973-D977 PolarHBondContact O-N 2.79Å; L974-D977 PolarHBondContact O-N 3.24Å; D977-R981 WeakPolarHBondContact O-CB 3.19Å; D977-R981 VanDerWaalsContact O-CG 3.24Å; D977-R981 WeakPolarHBondContact O-CG 3.24Å; D977-R981 PolarHBondContact O-N 2.84Å
978I82.9Confident81.9Confident80 Ų80107.3 Ų107.341%0.4152%0.523SS..Hα-helixtrans-65.9-43.8172.7-74.5163.3000109.9L974 H975 K976 R981 D982L974-I978 WeakPolarHBondContact O-CB 3.34Å; L974-I978 WeakPolarHBondContact O-CD1 3.5Å; L974-I978 WeakPolarHBondContact O-CG1 3.27Å; L974-I978 PolarHBondContact O-N 2.86Å; H975-I978 PolarHBondContact O-N 3.45Å; K976-I978 VanDerWaalsContact C-N 3.32Å; K976-I978 PolarHBondContact O-N 3.13Å; I978-R981 CarbonylContact O-C 3.59Å; I978-R981 WeakPolarHBondContact O-CA 3.4Å; I978-R981 WeakPolarHBondContact O-CB 3.46Å; I978-R981 PolarHBondContact O-N 2.87Å; I978-R981 VanDerWaalsContact O-N 3.09Å; I978-D982 PolarHBondContact O-N 2.62Å
979Q82.3Confident82Confident130 Ų130107.4 Ų107.461%0.60752%0.523SS*.Hα-helixtrans-66.5-41.4-179.2-167.3163.30.800112.4H975 K976 R981 D982 D983H975-Q979 WeakPolarHBondContact O-CB 3.36Å; H975-Q979 PolarHBondContact O-N 2.81Å; K976-Q979 PolarHBondContact O-N 3.2Å; Q979-R981 VanDerWaalsContact C-N 3.27Å; Q979-R981 PolarHBondContact O-N 2.84Å; Q979-D982 PolarHBondContact O-N 2.96Å; Q979-D983 PolarHBondContact O-N 3.05Å; Q979-D983 VanDerWaalsContact O-N 3.15Å
980E82.9Confident82Confident117 Ų117108.4 Ų108.455%0.54753%0.528SS..Hα-helixtrans-63.3-33.2170.7-70.9-176.3-167.800112K976 T984K976-E980 PolarHBondContact O-N 3.48Å; E980-T984 WeakPolarHBondContact O-CG2 3.23Å; E980-T984 PolarHBondContact O-N 3.37Å
981R82.2Confident82.2Confident97 Ų97113.5 Ų113.537%0.36654%0.54SS..Hα-helixtrans-70.5-41.8173.3-78176.2-176.3-153.5-0.3112.5D977 I978 Q979 D983 T984 I985D977-R981 WeakPolarHBondContact O-CB 3.19Å; D977-R981 VanDerWaalsContact O-CG 3.24Å; D977-R981 WeakPolarHBondContact O-CG 3.24Å; D977-R981 PolarHBondContact O-N 2.84Å; I978-R981 CarbonylContact O-C 3.59Å; I978-R981 WeakPolarHBondContact O-CA 3.4Å; I978-R981 WeakPolarHBondContact O-CB 3.46Å; I978-R981 PolarHBondContact O-N 2.87Å; I978-R981 VanDerWaalsContact O-N 3.09Å; Q979-R981 VanDerWaalsContact C-N 3.27Å; Q979-R981 PolarHBondContact O-N 2.84Å; R981-D983 VanDerWaalsContact C-N 3.32Å; R981-D983 PolarHBondContact O-N 3.12Å; R981-T984 CarbonylContact O-C 3.54Å; R981-T984 PolarHBondContact O-N 2.84Å; R981-T984 VanDerWaalsContact O-N 3.12Å; R981-T984 PolarHBondContact O-OG1 3.15Å; R981-I985 WeakPolarHBondContact O-CB 3.47Å; R981-I985 VanDerWaalsContact O-CG1 3.27Å; R981-I985 WeakPolarHBondContact O-CG1 3.49Å; R981-I985 PolarHBondContact O-N 2.73Å
982D82.8Confident82.3Confident87 Ų87112.9 Ų112.947%0.46554%0.537SS..Hα-helixtrans-61.7-39.8179.6-76.9-18.6000111.3I978 Q979 T984 I985 Q986I978-D982 PolarHBondContact O-N 2.62Å; Q979-D982 PolarHBondContact O-N 2.96Å; D982-T984 PolarHBondContact O-N 2.59Å; D982-I985 WeakPolarHBondContact O-CB 3.05Å; D982-I985 PolarHBondContact O-N 3.26Å; D982-Q986 WeakPolarHBondContact O-CB 3.37Å; D982-Q986 PolarHBondContact O-N 3.34Å
983D83.6Confident82.3Confident104 Ų104111.2 Ų111.256%0.55653%0.532SS*.Hα-helixtrans-60.1-46.2171.7-72.9-18.5000111.4Q979 R981 I985 Q986 D987Q979-D983 PolarHBondContact O-N 3.05Å; Q979-D983 VanDerWaalsContact O-N 3.15Å; R981-D983 VanDerWaalsContact C-N 3.32Å; R981-D983 PolarHBondContact O-N 3.12Å; D983-I985 VanDerWaalsContact C-N 3.31Å; D983-I985 PolarHBondContact O-N 2.87Å; D983-Q986 PolarHBondContact O-N 2.96Å; D983-D987 PolarHBondContact O-N 2.59Å
984T84.1Confident82.3Confident72 Ų72111.8 Ų111.844%0.44254%0.535SS..Hα-helixtrans-70.4-24.5175.868.70000114E980 R981 D982 K988E980-T984 WeakPolarHBondContact O-CG2 3.23Å; E980-T984 PolarHBondContact O-N 3.37Å; R981-T984 CarbonylContact O-C 3.54Å; R981-T984 PolarHBondContact O-N 2.84Å; R981-T984 VanDerWaalsContact O-N 3.12Å; R981-T984 PolarHBondContact O-OG1 3.15Å; D982-T984 PolarHBondContact O-N 2.59Å; T984-K988 WeakPolarHBondContact O-CB 3.28Å; T984-K988 WeakPolarHBondContact O-CD 3.47Å; T984-K988 VanDerWaalsContact O-CG 3.27Å; T984-K988 WeakPolarHBondContact O-CG 3.41Å; T984-K988 PolarHBondContact O-N 2.91Å
985I82.7Confident82.4Confident75 Ų75112.5 Ų112.539%0.38554%0.539SS..Hα-helixtrans-70.5-44.3171.9-73.8163.7000108.6R981 D982 D983 D987 K988 E989R981-I985 WeakPolarHBondContact O-CB 3.47Å; R981-I985 VanDerWaalsContact O-CG1 3.27Å; R981-I985 WeakPolarHBondContact O-CG1 3.49Å; R981-I985 PolarHBondContact O-N 2.73Å; D982-I985 WeakPolarHBondContact O-CB 3.05Å; D982-I985 PolarHBondContact O-N 3.26Å; D983-I985 VanDerWaalsContact C-N 3.31Å; D983-I985 PolarHBondContact O-N 2.87Å; I985-D987 VanDerWaalsContact C-N 3.34Å; I985-D987 PolarHBondContact O-N 3.04Å; I985-K988 CarbonylContact O-C 3.49Å; I985-K988 WeakPolarHBondContact O-CA 3.41Å; I985-K988 WeakPolarHBondContact O-CB 3.48Å; I985-K988 PolarHBondContact O-N 3.17Å; I985-E989 HydrophobicContact CG2-CG 4.1Å; I985-E989 WeakPolarHBondContact O-CG 3.21Å; I985-E989 PolarHBondContact O-N 3.09Å
986Q81.4Confident82.4Confident135 Ų135112.7 Ų112.763%0.63154%0.538SS*.Hα-helixtrans-61.6-40.3-179.7-159.8174.780.200112.1D982 D983 E989 K990D982-Q986 WeakPolarHBondContact O-CB 3.37Å; D982-Q986 PolarHBondContact O-N 3.34Å; D983-Q986 PolarHBondContact O-N 2.96Å; Q986-E989 PolarHBondContact O-N 3.36Å; Q986-K990 PolarHBondContact O-N 3.23Å
987D83.1Confident82.4Confident116 Ų116112.9 Ų112.962%0.6254%0.539SS*.Hα-helixtrans-65.4-39.2171.8-100-7.6000112.8D983 I985 R991D983-D987 PolarHBondContact O-N 2.59Å; I985-D987 VanDerWaalsContact C-N 3.34Å; I985-D987 PolarHBondContact O-N 3.04Å; D987-R991 PolarHBondContact O-N 3.17Å
988K84.4Confident82.4Confident132 Ų132115.4 Ų115.457%0.57455%0.546SS*.Hα-helixtrans-67.5-38.9174.1-77170.6176.5171.70112T984 I985 R991 I992T984-K988 WeakPolarHBondContact O-CB 3.28Å; T984-K988 WeakPolarHBondContact O-CD 3.47Å; T984-K988 VanDerWaalsContact O-CG 3.27Å; T984-K988 WeakPolarHBondContact O-CG 3.41Å; T984-K988 PolarHBondContact O-N 2.91Å; I985-K988 CarbonylContact O-C 3.49Å; I985-K988 WeakPolarHBondContact O-CA 3.41Å; I985-K988 WeakPolarHBondContact O-CB 3.48Å; I985-K988 PolarHBondContact O-N 3.17Å; K988-R991 CarbonylContact O-C 3.44Å; K988-R991 WeakPolarHBondContact O-CB 3.39Å; K988-R991 PolarHBondContact O-N 3.14Å; K988-I992 WeakPolarHBondContact O-CB 3.46Å; K988-I992 WeakPolarHBondContact O-CD1 3.26Å; K988-I992 VanDerWaalsContact O-CG1 3.23Å; K988-I992 WeakPolarHBondContact O-CG1 3.48Å; K988-I992 PolarHBondContact O-N 3.35Å
989E81.2Confident82.2Confident113 Ų113115.9 Ų115.953%0.52855%0.549SS..Hα-helixtrans-62.5-41.9176.1-77.2-170.3150.900111.5I985 Q986 R991 I992 L993I985-E989 HydrophobicContact CG2-CG 4.1Å; I985-E989 WeakPolarHBondContact O-CG 3.21Å; I985-E989 PolarHBondContact O-N 3.09Å; Q986-E989 PolarHBondContact O-N 3.36Å; E989-R991 VanDerWaalsContact C-N 3.32Å; E989-R991 PolarHBondContact O-N 3.44Å; E989-I992 CarbonylContact O-C 3.58Å; E989-I992 PolarHBondContact O-N 2.89Å; E989-I992 VanDerWaalsContact O-N 3.17Å; E989-L993 PolarHBondContact O-N 2.94Å
990K83.2Confident82Confident147 Ų147115.3 Ų115.364%0.63955%0.547SS*.Hα-helixtrans-57.9-45.3172.9-140.5173.6-170.9173.20111.3Q986 L993 D994Q986-K990 PolarHBondContact O-N 3.23Å; K990-L993 WeakPolarHBondContact O-CB 3.24Å; K990-L993 PolarHBondContact O-N 3.12Å; K990-D994 PolarHBondContact O-N 3.4Å
991R84.1Confident81.7Confident192 Ų192115.2 Ų115.273%0.72555%0.546SS*.Hα-helixtrans-66.1-35.5175.2-130.6172.5-167.6156.83.7113.1D987 K988 E989 L993 L995D987-R991 PolarHBondContact O-N 3.17Å; K988-R991 CarbonylContact O-C 3.44Å; K988-R991 WeakPolarHBondContact O-CB 3.39Å; K988-R991 PolarHBondContact O-N 3.14Å; E989-R991 VanDerWaalsContact C-N 3.32Å; E989-R991 PolarHBondContact O-N 3.44Å; R991-L993 VanDerWaalsContact C-N 3.33Å; R991-L995 WeakPolarHBondContact O-CB 3.49Å; R991-L995 WeakPolarHBondContact O-CG 3.26Å; R991-L995 PolarHBondContact O-N 2.82Å
992I80.3Confident81.5Confident87 Ų87115.7 Ų115.745%0.44656%0.555SS.*Hα-helixtrans-68.5-32.5174.2-72.4162.3000111K988 E989 K996K988-I992 WeakPolarHBondContact O-CB 3.46Å; K988-I992 WeakPolarHBondContact O-CD1 3.26Å; K988-I992 VanDerWaalsContact O-CG1 3.23Å; K988-I992 WeakPolarHBondContact O-CG1 3.48Å; K988-I992 PolarHBondContact O-N 3.35Å; E989-I992 CarbonylContact O-C 3.58Å; E989-I992 PolarHBondContact O-N 2.89Å; E989-I992 VanDerWaalsContact O-N 3.17Å; I992-K996 HydrophobicContact CG2-CD 4.43Å; I992-K996 HydrophobicContact CG2-CG 4.45Å; I992-K996 VanDerWaalsContact O-CB 3.27Å; I992-K996 WeakPolarHBondContact O-CB 3.49Å; I992-K996 WeakPolarHBondContact O-CG 3.29Å; I992-K996 PolarHBondContact O-N 3.22Å
993L79.9Confident81.2Confident114 Ų114116.2 Ų116.260%0.59756%0.555SS**Hα-helixtrans-65.4-44.8174.5-108.4160000112E989 K990 R991 K996 K997E989-L993 PolarHBondContact O-N 2.94Å; K990-L993 WeakPolarHBondContact O-CB 3.24Å; K990-L993 PolarHBondContact O-N 3.12Å; R991-L993 VanDerWaalsContact C-N 3.33Å; L993-K996 PolarHBondContact O-N 3.19Å; L993-K997 PolarHBondContact O-N 2.83Å; L993-K997 VanDerWaalsContact O-N 3.08Å
994D82.2Confident80.9Confident105 Ų105118.3 Ų118.356%0.56156%0.559SS**Hα-helixtrans-67.2-41.1174.6-71.7-26.9000112.1K990 K996 K997 K998K990-D994 PolarHBondContact O-N 3.4Å; D994-K996 VanDerWaalsContact C-N 3.33Å; D994-K996 PolarHBondContact O-N 3.47Å; D994-K997 PolarHBondContact O-N 3.42Å; D994-K998 PolarHBondContact O-N 2.66Å; D994-K998 VanDerWaalsContact O-N 3.14Å
995L82Confident80.6Confident109 Ų109121.4 Ų121.457%0.57157%0.567SS**Hα-helixtrans-64.7-35.5173-74.8169.2000112.1R991 K998 N999R991-L995 WeakPolarHBondContact O-CB 3.49Å; R991-L995 WeakPolarHBondContact O-CG 3.26Å; R991-L995 PolarHBondContact O-N 2.82Å; L995-K998 PolarHBondContact O-N 2.75Å; L995-N999 VanDerWaalsContact O-CB 3.26Å; L995-N999 WeakPolarHBondContact O-CB 3.48Å; L995-N999 PolarHBondContact O-N 2.92Å
996K80.4Confident80.3Confident132 Ų132123.7 Ų123.757%0.57457%0.574SS**Hα-helixtrans-63.9-39.3173.4-89.7-177.5174.6179.50112I992 L993 D994 N999 Q1000I992-K996 HydrophobicContact CG2-CD 4.43Å; I992-K996 HydrophobicContact CG2-CG 4.45Å; I992-K996 VanDerWaalsContact O-CB 3.27Å; I992-K996 WeakPolarHBondContact O-CB 3.49Å; I992-K996 WeakPolarHBondContact O-CG 3.29Å; I992-K996 PolarHBondContact O-N 3.22Å; L993-K996 PolarHBondContact O-N 3.19Å; D994-K996 VanDerWaalsContact C-N 3.33Å; D994-K996 PolarHBondContact O-N 3.47Å; K996-N999 PolarHBondContact O-N 3.34Å; K996-Q1000 WeakPolarHBondContact O-CG 3.17Å; K996-Q1000 PolarHBondContact O-N 3.19Å
997K82.9Confident80.2Confident138 Ų138125.7 Ų125.760%0.658%0.577SS**Hα-helixtrans-61.1-49.6173-86.2-177.3173.2177.20111.8L993 D994 N999 Q1000 E1001L993-K997 PolarHBondContact O-N 2.83Å; L993-K997 VanDerWaalsContact O-N 3.08Å; D994-K997 PolarHBondContact O-N 3.42Å; K997-N999 VanDerWaalsContact C-N 3.28Å; K997-N999 PolarHBondContact O-N 2.86Å; K997-Q1000 PolarHBondContact O-N 2.83Å; K997-E1001 PolarHBondContact O-N 2.74Å; K997-E1001 VanDerWaalsContact O-N 3.08Å
998K82.5Confident79.9Confident141 Ų141124.9 Ų124.961%0.61358%0.576SS**Hα-helixtrans-61.6-36174.2-80.1-173.3172.5-177.50112.7D994 L995 E1001 L1002D994-K998 PolarHBondContact O-N 2.66Å; D994-K998 VanDerWaalsContact O-N 3.14Å; L995-K998 PolarHBondContact O-N 2.75Å; K998-E1001 PolarHBondContact O-N 3.32Å; K998-L1002 WeakPolarHBondContact O-CG 3.3Å; K998-L1002 PolarHBondContact O-N 2.75Å
999N78.3Confident79.4Confident90 Ų90123.5 Ų123.548%0.48157%0.574SS.*Hα-helixtrans-69.9-33.4177-15729.7000111.9L995 K996 K997 L1002 E1003L995-N999 VanDerWaalsContact O-CB 3.26Å; L995-N999 WeakPolarHBondContact O-CB 3.48Å; L995-N999 PolarHBondContact O-N 2.92Å; K996-N999 PolarHBondContact O-N 3.34Å; K997-N999 VanDerWaalsContact C-N 3.28Å; K997-N999 PolarHBondContact O-N 2.86Å; N999-L1002 CarbonylContact O-C 3.59Å; N999-L1002 PolarHBondContact O-N 3.45Å; N999-E1003 WeakPolarHBondContact O-CB 3.39Å; N999-E1003 WeakPolarHBondContact O-CG 3.22Å; N999-E1003 PolarHBondContact O-N 3.15Å
1000Q77.4Confident79.2Confident119 Ų119121.3 Ų121.356%0.55657%0.566SS**Hα-helixtrans-68-32.8171.1-77.8-177.8-22.500112.8K996 K997 K1004K996-Q1000 WeakPolarHBondContact O-CG 3.17Å; K996-Q1000 PolarHBondContact O-N 3.19Å; K997-Q1000 PolarHBondContact O-N 2.83Å; Q1000-K1004 WeakPolarHBondContact O-CG 3.33Å; Q1000-K1004 PolarHBondContact O-N 3.05Å; Q1000-K1004 VanDerWaalsContact O-N 3.11Å
1001E77.9Confident79Confident114 Ų114122.5 Ų122.553%0.53357%0.568SS.*Hα-helixtrans-68.4-44.3170.6-69.7173.116800111K997 K998 E1003 K1004 F1005K997-E1001 PolarHBondContact O-N 2.74Å; K997-E1001 VanDerWaalsContact O-N 3.08Å; K998-E1001 PolarHBondContact O-N 3.32Å; E1001-E1003 VanDerWaalsContact C-N 3.33Å; E1001-E1003 PolarHBondContact O-N 3.44Å; E1001-K1004 WeakPolarHBondContact O-CB 3.47Å; E1001-K1004 PolarHBondContact O-N 3.19Å; E1001-K1004 VanDerWaalsContact O-N 3.16Å; E1001-F1005 VanDerWaalsContact O-CD2 3.24Å; E1001-F1005 WeakPolarHBondContact O-CD2 3.31Å; E1001-F1005 PolarHBondContact O-N 3.24Å
1002L76.9Confident78.7Confident108 Ų108118.2 Ų118.257%0.56555%0.554SS**Hα-helixtrans-64.7-32.8173.6-70.7169.6000112.8K998 N999 F1005 K1006K998-L1002 WeakPolarHBondContact O-CG 3.3Å; K998-L1002 PolarHBondContact O-N 2.75Å; N999-L1002 CarbonylContact O-C 3.59Å; N999-L1002 PolarHBondContact O-N 3.45Å; L1002-F1005 PolarHBondContact O-N 3.44Å; L1002-K1006 VanDerWaalsContact O-CB 3.31Å; L1002-K1006 WeakPolarHBondContact O-CB 3.19Å; L1002-K1006 PolarHBondContact O-N 2.75Å
1003E76.3Confident78.5Confident98 Ų98117.8 Ų117.846%0.45855%0.552SS.*Hα-helixtrans-66-38.5171.3-82.6-178.4146.300111.3N999 E1001 K1006 Y1007N999-E1003 WeakPolarHBondContact O-CB 3.39Å; N999-E1003 WeakPolarHBondContact O-CG 3.22Å; N999-E1003 PolarHBondContact O-N 3.15Å; E1001-E1003 VanDerWaalsContact C-N 3.33Å; E1001-E1003 PolarHBondContact O-N 3.44Å; E1003-K1006 CarbonylContact O-C 3.53Å; E1003-K1006 WeakPolarHBondContact O-CB 3.38Å; E1003-K1006 PolarHBondContact O-N 3.25Å; E1003-Y1007 VanDerWaalsContact O-CD2 3.27Å; E1003-Y1007 WeakPolarHBondContact O-CD2 3.3Å; E1003-Y1007 PolarHBondContact O-N 2.73Å
1004K78Confident78.4Confident147 Ų147119.7 Ų119.764%0.63956%0.556SS**Hα-helixtrans-63.6-43.9172.3-70.9171.1-176.2177.60111.5Q1000 E1001 K1006 Y1007 V1008Q1000-K1004 WeakPolarHBondContact O-CG 3.33Å; Q1000-K1004 PolarHBondContact O-N 3.05Å; Q1000-K1004 VanDerWaalsContact O-N 3.11Å; E1001-K1004 WeakPolarHBondContact O-CB 3.47Å; E1001-K1004 PolarHBondContact O-N 3.19Å; E1001-K1004 VanDerWaalsContact O-N 3.16Å; K1004-K1006 VanDerWaalsContact C-N 3.31Å; K1004-K1006 PolarHBondContact O-N 3.49Å; K1004-Y1007 PolarHBondContact O-N 2.95Å; K1004-V1008 WeakPolarHBondContact O-CG2 3.24Å; K1004-V1008 PolarHBondContact O-N 2.58Å; K1004-V1008 VanDerWaalsContact O-N 3.08Å
1005F76.7Confident78.1Confident137 Ų137118 Ų11860%0.60154%0.544SS*.Hα-helixtrans-62.1-39.1171.9-78.2-68.4000112.1E1001 L1002 V1008 L1009E1001-F1005 VanDerWaalsContact O-CD2 3.24Å; E1001-F1005 WeakPolarHBondContact O-CD2 3.31Å; E1001-F1005 PolarHBondContact O-N 3.24Å; L1002-F1005 PolarHBondContact O-N 3.44Å; F1005-V1008 PolarHBondContact O-N 2.81Å; F1005-L1009 WeakPolarHBondContact O-CB 3.31Å; F1005-L1009 WeakPolarHBondContact O-CG 3.47Å; F1005-L1009 PolarHBondContact O-N 2.71Å
1006K78.1Confident77.7Confident123 Ų123116.6 Ų116.654%0.53554%0.537SS..Hα-helixtrans-62.7-42.3174.3-172.3-166.6169.1-164.60111.4L1002 E1003 K1004 V1008 L1009 D1010L1002-K1006 VanDerWaalsContact O-CB 3.31Å; L1002-K1006 WeakPolarHBondContact O-CB 3.19Å; L1002-K1006 PolarHBondContact O-N 2.75Å; E1003-K1006 CarbonylContact O-C 3.53Å; E1003-K1006 WeakPolarHBondContact O-CB 3.38Å; E1003-K1006 PolarHBondContact O-N 3.25Å; K1004-K1006 VanDerWaalsContact C-N 3.31Å; K1004-K1006 PolarHBondContact O-N 3.49Å; K1006-V1008 VanDerWaalsContact C-N 3.34Å; K1006-V1008 PolarHBondContact O-N 3.02Å; K1006-L1009 CarbonylContact O-C 3.56Å; K1006-L1009 PolarHBondContact O-N 3.35Å; K1006-D1010 VanDerWaalsContact CE-OD2 3.27Å; K1006-D1010 WeakPolarHBondContact CE-OD2 3.4Å; K1006-D1010 VanDerWaalsContact O-CB 3.28Å; K1006-D1010 WeakPolarHBondContact O-CB 3.27Å; K1006-D1010 PolarHBondContact O-N 2.88Å
1007Y79.3Confident77.4Confident177 Ų177116.8 Ų116.869%0.69454%0.538SS*.Hα-helixtrans-62.7-39175-90.3-73.3000112.4E1003 K1004 Y1011E1003-Y1007 VanDerWaalsContact O-CD2 3.27Å; E1003-Y1007 WeakPolarHBondContact O-CD2 3.3Å; E1003-Y1007 PolarHBondContact O-N 2.73Å; K1004-Y1007 PolarHBondContact O-N 2.95Å; Y1007-Y1011 WeakPolarHBondContact O-CB 3.39Å; Y1007-Y1011 PolarHBondContact O-N 3.27Å
1008V76.9Confident77Confident99 Ų99117 Ų11760%0.654%0.541SS*.Hα-helixtrans-66.6-42.4173.9174.70000111.1K1004 F1005 K1006 Y1011 K1012K1004-V1008 WeakPolarHBondContact O-CG2 3.24Å; K1004-V1008 PolarHBondContact O-N 2.58Å; K1004-V1008 VanDerWaalsContact O-N 3.08Å; F1005-V1008 PolarHBondContact O-N 2.81Å; K1006-V1008 VanDerWaalsContact C-N 3.34Å; K1006-V1008 PolarHBondContact O-N 3.02Å; V1008-Y1011 PolarHBondContact O-N 2.79Å; V1008-K1012 WeakPolarHBondContact O-CB 3.46Å; V1008-K1012 PolarHBondContact O-N 2.94Å
1009L73.6Confident76.5Confident104 Ų104115.7 Ų115.755%0.54554%0.537SS..Hα-helixtrans-68.5-39.7176.1-72.7169000112.5F1005 K1006 Y1011 K1012 I1013F1005-L1009 WeakPolarHBondContact O-CB 3.31Å; F1005-L1009 WeakPolarHBondContact O-CG 3.47Å; F1005-L1009 PolarHBondContact O-N 2.71Å; K1006-L1009 CarbonylContact O-C 3.56Å; K1006-L1009 PolarHBondContact O-N 3.35Å; L1009-Y1011 VanDerWaalsContact C-N 3.33Å; L1009-K1012 CarbonylContact O-C 3.46Å; L1009-K1012 PolarHBondContact O-N 3.36Å; L1009-I1013 VanDerWaalsContact O-CB 3.28Å; L1009-I1013 WeakPolarHBondContact O-CB 3.15Å; L1009-I1013 WeakPolarHBondContact O-CD1 3.5Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.28Å; L1009-I1013 PolarHBondContact O-N 3.39Å
1010D75.6Confident76.3Confident67 Ų67115 Ų11536%0.35853%0.533SS..Hα-helixtrans-66.6-35.1175.5-80.3-23.5000110.8K1006 K1014K1006-D1010 VanDerWaalsContact CE-OD2 3.27Å; K1006-D1010 WeakPolarHBondContact CE-OD2 3.4Å; K1006-D1010 VanDerWaalsContact O-CB 3.28Å; K1006-D1010 WeakPolarHBondContact O-CB 3.27Å; K1006-D1010 PolarHBondContact O-N 2.88Å; D1010-K1014 WeakPolarHBondContact O-CB 3.45Å; D1010-K1014 WeakPolarHBondContact O-CG 3.26Å; D1010-K1014 PolarHBondContact O-N 2.7Å
1011Y79.2Confident76Confident171 Ų171115.4 Ų115.467%0.67153%0.534SS*.Hα-helixtrans-66.1-46.5170.2-170.1-88.9000111.1Y1007 V1008 L1009 I1013 K1014 E1015Y1007-Y1011 WeakPolarHBondContact O-CB 3.39Å; Y1007-Y1011 PolarHBondContact O-N 3.27Å; V1008-Y1011 PolarHBondContact O-N 2.79Å; L1009-Y1011 VanDerWaalsContact C-N 3.33Å; Y1011-I1013 VanDerWaalsContact C-N 3.35Å; Y1011-I1013 PolarHBondContact O-N 3.5Å; Y1011-K1014 PolarHBondContact O-N 2.87Å; Y1011-E1015 WeakPolarHBondContact O-CB 3.36Å; Y1011-E1015 PolarHBondContact O-N 2.96Å
1012K77.5Confident75.8Confident102 Ų102113.2 Ų113.244%0.44353%0.53SS..Hα-helixtrans-63.6-37.7176.4-156.975.4-168.4157.70112.4V1008 L1009 E1015 L1016V1008-K1012 WeakPolarHBondContact O-CB 3.46Å; V1008-K1012 PolarHBondContact O-N 2.94Å; L1009-K1012 CarbonylContact O-C 3.46Å; L1009-K1012 PolarHBondContact O-N 3.36Å; K1012-E1015 WeakPolarHBondContact CD-OE2 3.45Å; K1012-E1015 WeakPolarHBondContact CE-OE2 3.2Å; K1012-E1015 IonicContact NZ-OE2 2.66Å; K1012-E1015 PolarHBondContact NZ-OE2 3.33Å; K1012-E1015 PolarHBondContact O-N 3.24Å; K1012-L1016 HydrophobicContact CG-CD1 4.31Å; K1012-L1016 VanDerWaalsContact O-CB 3.29Å; K1012-L1016 WeakPolarHBondContact O-CB 3.42Å; K1012-L1016 WeakPolarHBondContact O-CD1 3.36Å; K1012-L1016 WeakPolarHBondContact O-CG 3.44Å; K1012-L1016 PolarHBondContact O-N 3.12Å
1013I76.1Confident75.8Confident78 Ų78114.7 Ų114.740%0.453%0.528SS..Hα-helixtrans-69.3-37.2174.8-71.9163.4000110.5L1009 Y1011 K1017L1009-I1013 VanDerWaalsContact O-CB 3.28Å; L1009-I1013 WeakPolarHBondContact O-CB 3.15Å; L1009-I1013 WeakPolarHBondContact O-CD1 3.5Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.28Å; L1009-I1013 PolarHBondContact O-N 3.39Å; Y1011-I1013 VanDerWaalsContact C-N 3.35Å; Y1011-I1013 PolarHBondContact O-N 3.5Å; I1013-K1017 HydrophobicContact CG2-CD 4.13Å; I1013-K1017 HydrophobicContact CG2-CG 4.45Å; I1013-K1017 VanDerWaalsContact O-CB 3.25Å; I1013-K1017 WeakPolarHBondContact O-CB 3.41Å; I1013-K1017 WeakPolarHBondContact O-CG 3.46Å; I1013-K1017 PolarHBondContact O-N 2.79Å
1014K77.9Confident75.8Confident154 Ų154115.6 Ų115.667%0.6753%0.533SS*.Hα-helixtrans-65.5-46.8171.7-86.1-175.8172.3-175.50112D1010 Y1011 K1017 Q1018D1010-K1014 WeakPolarHBondContact O-CB 3.45Å; D1010-K1014 WeakPolarHBondContact O-CG 3.26Å; D1010-K1014 PolarHBondContact O-N 2.7Å; Y1011-K1014 PolarHBondContact O-N 2.87Å; K1014-K1017 PolarHBondContact O-N 3.29Å; K1014-Q1018 WeakPolarHBondContact O-CB 3.2Å; K1014-Q1018 PolarHBondContact O-N 2.86Å
1015E76Confident75.8Confident69 Ų69113.3 Ų113.332%0.32253%0.528SS..Hα-helixtrans-57.8-48.6175.8-176-176.6-149.500110.9Y1011 K1012 Q1018 Q1019Y1011-E1015 WeakPolarHBondContact O-CB 3.36Å; Y1011-E1015 PolarHBondContact O-N 2.96Å; K1012-E1015 WeakPolarHBondContact CD-OE2 3.45Å; K1012-E1015 WeakPolarHBondContact CE-OE2 3.2Å; K1012-E1015 IonicContact NZ-OE2 2.66Å; K1012-E1015 PolarHBondContact NZ-OE2 3.33Å; K1012-E1015 PolarHBondContact O-N 3.24Å; E1015-Q1018 PolarHBondContact O-N 3.32Å; E1015-Q1019 WeakPolarHBondContact O-CG 3.31Å; E1015-Q1019 PolarHBondContact O-N 3.09Å
1016L74.5Confident75.8Confident81 Ų81110.6 Ų110.642%0.42452%0.519SS..Hα-helixtrans-62.8-42.9175.1-73.2166.8000112.1K1012 Q1018 Q1019 I1020K1012-L1016 HydrophobicContact CG-CD1 4.31Å; K1012-L1016 VanDerWaalsContact O-CB 3.29Å; K1012-L1016 WeakPolarHBondContact O-CB 3.42Å; K1012-L1016 WeakPolarHBondContact O-CD1 3.36Å; K1012-L1016 WeakPolarHBondContact O-CG 3.44Å; K1012-L1016 PolarHBondContact O-N 3.12Å; L1016-Q1018 VanDerWaalsContact C-N 3.32Å; L1016-Q1018 PolarHBondContact O-N 2.91Å; L1016-Q1019 CarbonylContact O-C 3.52Å; L1016-Q1019 PolarHBondContact O-N 3.3Å; L1016-I1020 WeakPolarHBondContact O-CB 3.45Å; L1016-I1020 WeakPolarHBondContact O-CD1 3.42Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.49Å; L1016-I1020 PolarHBondContact O-N 2.92Å
1017K74.3Confident75.8Confident135 Ų135108.7 Ų108.759%0.58751%0.514SS*.Hα-helixtrans-60.7-40.4174.9-81.4179.2175.8-170.50112.3I1013 K1014 Q1019 I1020 E1021I1013-K1017 HydrophobicContact CG2-CD 4.13Å; I1013-K1017 HydrophobicContact CG2-CG 4.45Å; I1013-K1017 VanDerWaalsContact O-CB 3.25Å; I1013-K1017 WeakPolarHBondContact O-CB 3.41Å; I1013-K1017 WeakPolarHBondContact O-CG 3.46Å; I1013-K1017 PolarHBondContact O-N 2.79Å; K1014-K1017 PolarHBondContact O-N 3.29Å; K1017-Q1019 VanDerWaalsContact C-N 3.25Å; K1017-Q1019 PolarHBondContact O-N 2.92Å; K1017-I1020 PolarHBondContact O-N 2.86Å; K1017-I1020 VanDerWaalsContact O-N 3.12Å; K1017-E1021 PolarHBondContact O-N 2.88Å
1018Q74.4Confident75.9Confident144 Ų144105.8 Ų105.867%0.67351%0.505SS*.Hα-helixtrans-71.3-20.7178.8-156.3166.616.500112.7K1014 E1015 L1016 P1022K1014-Q1018 WeakPolarHBondContact O-CB 3.2Å; K1014-Q1018 PolarHBondContact O-N 2.86Å; E1015-Q1018 PolarHBondContact O-N 3.32Å; L1016-Q1018 VanDerWaalsContact C-N 3.32Å; L1016-Q1018 PolarHBondContact O-N 2.91Å; Q1018-P1022 WeakPolarHBondContact O-CD 3.22Å
1019Q72.2Confident75.8Confident112 Ų112105.1 Ų105.152%0.52350%0.498SS..Hα-helixtrans-87-25.6167.6-66.5178.415.500113.4E1015 L1016 K1017E1015-Q1019 WeakPolarHBondContact O-CG 3.31Å; E1015-Q1019 PolarHBondContact O-N 3.09Å; L1016-Q1019 CarbonylContact O-C 3.52Å; L1016-Q1019 PolarHBondContact O-N 3.3Å; K1017-Q1019 VanDerWaalsContact C-N 3.25Å; K1017-Q1019 PolarHBondContact O-N 2.92Å
1020I72.7Confident76.1Confident76 Ų76105.2 Ų105.239%0.3949%0.492SS..Hα-helixtrans-77.6-38.1176.7-72.2163.1000110.9L1016 K1017 R1023 E1024L1016-I1020 WeakPolarHBondContact O-CB 3.45Å; L1016-I1020 WeakPolarHBondContact O-CD1 3.42Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.49Å; L1016-I1020 PolarHBondContact O-N 2.92Å; K1017-I1020 PolarHBondContact O-N 2.86Å; K1017-I1020 VanDerWaalsContact O-N 3.12Å; I1020-R1023 CarbonylContact O-C 3.6Å; I1020-R1023 WeakPolarHBondContact O-CA 3.47Å; I1020-R1023 WeakPolarHBondContact O-CB 3.47Å; I1020-R1023 PolarHBondContact O-N 3.25Å; I1020-E1024 HydrophobicContact CG2-CG 3.67Å; I1020-E1024 WeakPolarHBondContact CG2-OE1 3.31Å; I1020-E1024 PolarHBondContact O-N 3.08Å
1021E71.6Confident76.2Confident127 Ų127105.5 Ų105.559%0.59349%0.49SS*.Hα-helixtrans-54.4-46.9-178.7-120.9178.1168.500114.3K1017 E1024 N1025K1017-E1021 PolarHBondContact O-N 2.88Å; E1021-E1024 PolarHBondContact O-N 3.2Å; E1021-N1025 PolarHBondContact O-N 2.85Å; E1021-N1025 VanDerWaalsContact O-N 3.15Å
1022P74.4Confident76.2Confident69 Ų69101.6 Ų101.645%0.44848%0.478SS..Hα-helixtrans-63.1-42.8173.1-22.233.9000111.9Q1018 E1024 N1025 D1026Q1018-P1022 WeakPolarHBondContact O-CD 3.22Å; P1022-E1024 VanDerWaalsContact C-N 3.33Å; P1022-E1024 PolarHBondContact O-N 2.88Å; P1022-N1025 PolarHBondContact O-N 2.84Å; P1022-D1026 PolarHBondContact O-N 3.11Å
1023R76.2Confident76.1Confident138 Ų138102.2 Ų102.252%0.52148%0.482SS..Hα-helixtrans-66.2-32177.9-76.2-178161.8-170.8-7.4112.9L390 I1020 D1026 I1027L390-R1023 VanDerWaalsContact CD2-NH2 3.26Å; I1020-R1023 CarbonylContact O-C 3.6Å; I1020-R1023 WeakPolarHBondContact O-CA 3.47Å; I1020-R1023 WeakPolarHBondContact O-CB 3.47Å; I1020-R1023 PolarHBondContact O-N 3.25Å; R1023-D1026 PolarHBondContact O-N 3.17Å; R1023-I1027 WeakPolarHBondContact O-CB 3.45Å; R1023-I1027 WeakPolarHBondContact O-CD1 3.4Å; R1023-I1027 WeakPolarHBondContact O-CG1 3.38Å; R1023-I1027 PolarHBondContact O-N 3.08Å
1024E76.6Confident76.3Confident118 Ų118101.7 Ų101.755%0.55148%0.479SS*.Hα-helixtrans-70-36.9174.2-80.3-176.7170.500111.3I1020 E1021 P1022 K1028I1020-E1024 HydrophobicContact CG2-CG 3.67Å; I1020-E1024 WeakPolarHBondContact CG2-OE1 3.31Å; I1020-E1024 PolarHBondContact O-N 3.08Å; E1021-E1024 PolarHBondContact O-N 3.2Å; P1022-E1024 VanDerWaalsContact C-N 3.33Å; P1022-E1024 PolarHBondContact O-N 2.88Å; E1024-K1028 WeakPolarHBondContact O-CB 3.45Å; E1024-K1028 PolarHBondContact O-N 3.06Å
1025N78Confident76.3Confident99 Ų9999.1 Ų99.153%0.52947%0.47SS..Hα-helixtrans-67.9-42.1170.4-81.2-36.8000112.3E1021 P1022 K1028 N1029E1021-N1025 PolarHBondContact O-N 2.85Å; E1021-N1025 VanDerWaalsContact O-N 3.15Å; P1022-N1025 PolarHBondContact O-N 2.84Å; N1025-K1028 WeakPolarHBondContact O-CA 3.49Å; N1025-K1028 WeakPolarHBondContact O-CB 3.49Å; N1025-K1028 PolarHBondContact O-N 3.12Å; N1025-K1028 VanDerWaalsContact O-N 3.11Å; N1025-N1029 PolarHBondContact O-N 2.9Å
1026D77.3Confident76.4Confident79 Ų79102.4 Ų102.442%0.42249%0.485SS..Hα-helixtrans-63.8-42.9174.1-67.5-26.2000111P1022 R1023 K1028 N1029 Y1030P1022-D1026 PolarHBondContact O-N 3.11Å; R1023-D1026 PolarHBondContact O-N 3.17Å; D1026-K1028 PolarHBondContact O-N 3.49Å; D1026-N1029 PolarHBondContact O-N 2.64Å; D1026-Y1030 HydrophobicContact CB-CD2 4.38Å; D1026-Y1030 HydrophobicContact CB-CE2 4.23Å; D1026-Y1030 WeakPolarHBondContact O-CB 3.43Å; D1026-Y1030 WeakPolarHBondContact O-CD2 3.48Å; D1026-Y1030 PolarHBondContact O-N 2.88Å
1027I77.6Confident76.3Confident83 Ų83103.9 Ų103.943%0.42649%0.491SS..Hα-helixtrans-63.7-29.3173-73.8164.9000111.5R1023 K1031R1023-I1027 WeakPolarHBondContact O-CB 3.45Å; R1023-I1027 WeakPolarHBondContact O-CD1 3.4Å; R1023-I1027 WeakPolarHBondContact O-CG1 3.38Å; R1023-I1027 PolarHBondContact O-N 3.08Å; I1027-K1031 HydrophobicContact CG2-CD 4.03Å; I1027-K1031 VanDerWaalsContact O-CB 3.26Å; I1027-K1031 WeakPolarHBondContact O-CB 3.42Å; I1027-K1031 WeakPolarHBondContact O-CD 3.32Å; I1027-K1031 WeakPolarHBondContact O-CG 3.42Å; I1027-K1031 PolarHBondContact O-N 3.15Å
1028K80.4Confident76.5Confident117 Ų117101.9 Ų101.951%0.50948%0.484SS..Hα-helixtrans-71.9-48.4173.5-169.4-171175.5-140.40110.8E1024 N1025 D1026 Y1030 K1031 E1032E1024-K1028 WeakPolarHBondContact O-CB 3.45Å; E1024-K1028 PolarHBondContact O-N 3.06Å; N1025-K1028 WeakPolarHBondContact O-CA 3.49Å; N1025-K1028 WeakPolarHBondContact O-CB 3.49Å; N1025-K1028 PolarHBondContact O-N 3.12Å; N1025-K1028 VanDerWaalsContact O-N 3.11Å; D1026-K1028 PolarHBondContact O-N 3.49Å; K1028-Y1030 VanDerWaalsContact C-N 3.35Å; K1028-Y1030 PolarHBondContact O-N 2.98Å; K1028-K1031 CarbonylContact O-C 3.58Å; K1028-K1031 WeakPolarHBondContact O-CA 3.27Å; K1028-K1031 WeakPolarHBondContact O-CB 3.46Å; K1028-K1031 PolarHBondContact O-N 2.76Å; K1028-E1032 WeakPolarHBondContact CE-OE1 3.18Å; K1028-E1032 IonicContact NZ-OE1 3.89Å; K1028-E1032 PolarHBondContact NZ-OE1 3.12Å; K1028-E1032 PolarHBondContact O-N 2.8Å
1029N76.7Confident76.6Confident84 Ų8498.9 Ų98.945%0.44948%0.475SS..Hα-helixtrans-60.8-43.1175.5-66.1-12.5000111.4N1025 D1026 K1031 E1032 Q1033N1025-N1029 PolarHBondContact O-N 2.9Å; D1026-N1029 PolarHBondContact O-N 2.64Å; N1029-K1031 VanDerWaalsContact C-N 3.3Å; N1029-K1031 PolarHBondContact O-N 3.25Å; N1029-E1032 PolarHBondContact O-N 2.84Å; N1029-Q1033 PolarHBondContact O-N 2.95Å
1030Y79.9Confident76.9Confident106 Ų10698.6 Ų98.642%0.41647%0.474SS..Hα-helixtrans-66.5-28.9173.3-69.7-45.8000112.5K386 D1026 K1028 I1034K386-Y1030 PolarHBondContact NZ-OH 3.11Å; D1026-Y1030 HydrophobicContact CB-CD2 4.38Å; D1026-Y1030 HydrophobicContact CB-CE2 4.23Å; D1026-Y1030 WeakPolarHBondContact O-CB 3.43Å; D1026-Y1030 WeakPolarHBondContact O-CD2 3.48Å; D1026-Y1030 PolarHBondContact O-N 2.88Å; K1028-Y1030 VanDerWaalsContact C-N 3.35Å; K1028-Y1030 PolarHBondContact O-N 2.98Å; Y1030-I1034 VanDerWaalsContact O-CB 3.23Å; Y1030-I1034 WeakPolarHBondContact O-CB 3.21Å; Y1030-I1034 WeakPolarHBondContact O-CD1 3.46Å; Y1030-I1034 WeakPolarHBondContact O-CG1 3.48Å; Y1030-I1034 PolarHBondContact O-N 3.35Å
1031K77.5Confident77.1Confident74 Ų7499.6 Ų99.632%0.32248%0.48SS..Hα-helixtrans-73.6-35.2171.5-84.3167.9176.61430112.7I1027 K1028 N1029 Q1035I1027-K1031 HydrophobicContact CG2-CD 4.03Å; I1027-K1031 VanDerWaalsContact O-CB 3.26Å; I1027-K1031 WeakPolarHBondContact O-CB 3.42Å; I1027-K1031 WeakPolarHBondContact O-CD 3.32Å; I1027-K1031 WeakPolarHBondContact O-CG 3.42Å; I1027-K1031 PolarHBondContact O-N 3.15Å; K1028-K1031 CarbonylContact O-C 3.58Å; K1028-K1031 WeakPolarHBondContact O-CA 3.27Å; K1028-K1031 WeakPolarHBondContact O-CB 3.46Å; K1028-K1031 PolarHBondContact O-N 2.76Å; N1029-K1031 VanDerWaalsContact C-N 3.3Å; N1029-K1031 PolarHBondContact O-N 3.25Å; K1031-Q1035 WeakPolarHBondContact O-CB 3.32Å; K1031-Q1035 WeakPolarHBondContact O-CG 3.4Å; K1031-Q1035 PolarHBondContact O-N 3.03Å
1032E78.2Confident77.4Confident88 Ų8899.2 Ų99.241%0.41148%0.478SS..Hα-helixtrans-66.2-45.6172.3-71.3170.7-166.900109.8K1028 N1029 I1034 Q1035 E1036K1028-E1032 WeakPolarHBondContact CE-OE1 3.18Å; K1028-E1032 IonicContact NZ-OE1 3.89Å; K1028-E1032 PolarHBondContact NZ-OE1 3.12Å; K1028-E1032 PolarHBondContact O-N 2.8Å; N1029-E1032 PolarHBondContact O-N 2.84Å; E1032-I1034 PolarHBondContact O-N 3.39Å; E1032-Q1035 PolarHBondContact O-N 2.81Å; E1032-E1036 PolarHBondContact O-N 2.85Å
1033Q76.6Confident77.7Confident116 Ų116104.1 Ų104.154%0.54249%0.488SS..Hα-helixtrans-62.7-40.4171.9-74.9-174.8-27.200113.6N1029 Q1035 E1036 M1037N1029-Q1033 PolarHBondContact O-N 2.95Å; Q1033-Q1035 VanDerWaalsContact C-N 3.34Å; Q1033-E1036 PolarHBondContact O-N 2.82Å; Q1033-M1037 VanDerWaalsContact O-CB 3.25Å; Q1033-M1037 WeakPolarHBondContact O-CB 3.18Å; Q1033-M1037 PolarHBondContact O-N 2.68Å
1034I79.5Confident77.9Confident66 Ų66103 Ų10334%0.33849%0.487SS..Hα-helixtrans-65.8-37.7174.7-74.3163.9000110.3Y1030 E1032 M1037 E1038Y1030-I1034 VanDerWaalsContact O-CB 3.23Å; Y1030-I1034 WeakPolarHBondContact O-CB 3.21Å; Y1030-I1034 WeakPolarHBondContact O-CD1 3.46Å; Y1030-I1034 WeakPolarHBondContact O-CG1 3.48Å; Y1030-I1034 PolarHBondContact O-N 3.35Å; E1032-I1034 PolarHBondContact O-N 3.39Å; I1034-M1037 HydrophobicContact CG1-CE 4.45Å; I1034-M1037 PolarHBondContact O-N 3.39Å; I1034-E1038 HydrophobicContact CG2-CG 4.19Å; I1034-E1038 WeakPolarHBondContact CG2-OE1 3.41Å; I1034-E1038 VanDerWaalsContact O-CB 3.24Å; I1034-E1038 WeakPolarHBondContact O-CB 3.48Å; I1034-E1038 VanDerWaalsContact O-CG 3.22Å; I1034-E1038 WeakPolarHBondContact O-CG 3.49Å; I1034-E1038 PolarHBondContact O-N 3.39Å
1035Q77.9Confident78.1Confident101 Ų101102.4 Ų102.447%0.47248%0.484SS..Hα-helixtrans-66.4-42.6174.2-80.1-174.7-33.400112.3K1031 E1032 Q1033 E1038 T1039K1031-Q1035 WeakPolarHBondContact O-CB 3.32Å; K1031-Q1035 WeakPolarHBondContact O-CG 3.4Å; K1031-Q1035 PolarHBondContact O-N 3.03Å; E1032-Q1035 PolarHBondContact O-N 2.81Å; Q1033-Q1035 VanDerWaalsContact C-N 3.34Å; Q1035-E1038 PolarHBondContact O-N 2.81Å; Q1035-T1039 WeakPolarHBondContact O-CG2 3.41Å; Q1035-T1039 PolarHBondContact O-N 3.38Å
1036E78Confident78.2Confident137 Ų137104.4 Ų104.464%0.6449%0.488SS*.Hα-helixtrans-59.6-50.7172.8-72.1-175.6154.400110.7E1032 Q1033 E1038 T1039 E1040E1032-E1036 PolarHBondContact O-N 2.85Å; Q1033-E1036 PolarHBondContact O-N 2.82Å; E1036-E1038 VanDerWaalsContact C-N 3.32Å; E1036-E1038 PolarHBondContact O-N 2.66Å; E1036-T1039 WeakPolarHBondContact O-CA 3.45Å; E1036-T1039 PolarHBondContact O-N 3.38Å; E1036-T1039 PolarHBondContact O-OG1 3.19Å; E1036-E1040 PolarHBondContact O-N 2.91Å
1037M73.3Confident78.4Confident112 Ų112105.9 Ų105.955%0.55249%0.492SS*.Hα-helixtrans-61.8-34.5176.6-171.3178.365.100112.7Q1033 I1034 E1040 L1041Q1033-M1037 VanDerWaalsContact O-CB 3.25Å; Q1033-M1037 WeakPolarHBondContact O-CB 3.18Å; Q1033-M1037 PolarHBondContact O-N 2.68Å; I1034-M1037 HydrophobicContact CG1-CE 4.45Å; I1034-M1037 PolarHBondContact O-N 3.39Å; M1037-E1040 PolarHBondContact O-N 3.16Å; M1037-L1041 VanDerWaalsContact O-CB 3.25Å; M1037-L1041 WeakPolarHBondContact O-CB 3.47Å; M1037-L1041 PolarHBondContact O-N 2.85Å
1038E77.2Confident78.4Confident94 Ų94106 Ų10644%0.43949%0.494SS..Hα-helixtrans-67-37.2172-81.7173.6-175.900111.5I1034 Q1035 E1036 L1041 Q1042I1034-E1038 HydrophobicContact CG2-CG 4.19Å; I1034-E1038 WeakPolarHBondContact CG2-OE1 3.41Å; I1034-E1038 VanDerWaalsContact O-CB 3.24Å; I1034-E1038 WeakPolarHBondContact O-CB 3.48Å; I1034-E1038 VanDerWaalsContact O-CG 3.22Å; I1034-E1038 WeakPolarHBondContact O-CG 3.49Å; I1034-E1038 PolarHBondContact O-N 3.39Å; Q1035-E1038 PolarHBondContact O-N 2.81Å; E1036-E1038 VanDerWaalsContact C-N 3.32Å; E1036-E1038 PolarHBondContact O-N 2.66Å; E1038-L1041 PolarHBondContact O-N 3.03Å; E1038-Q1042 WeakPolarHBondContact O-CB 3.48Å; E1038-Q1042 WeakPolarHBondContact O-CG 3.45Å; E1038-Q1042 PolarHBondContact O-N 2.93Å
1039T77.2Confident78.4Confident80 Ų80104.5 Ų104.549%0.49149%0.491SS..Hα-helixtrans-70.1-34173.666.90000112.4Q1035 E1036 R1043Q1035-T1039 WeakPolarHBondContact O-CG2 3.41Å; Q1035-T1039 PolarHBondContact O-N 3.38Å; E1036-T1039 WeakPolarHBondContact O-CA 3.45Å; E1036-T1039 PolarHBondContact O-N 3.38Å; E1036-T1039 PolarHBondContact O-OG1 3.19Å; T1039-R1043 WeakPolarHBondContact O-CG 3.2Å; T1039-R1043 PolarHBondContact O-N 2.83Å
1040E77.2Confident78.5Confident106 Ų106105.4 Ų105.450%0.49549%0.493SS..Hα-helixtrans-68.9-44.1170.6-67-162.3148.400111.5E1036 M1037 Q1042 R1043 F1044E1036-E1040 PolarHBondContact O-N 2.91Å; M1037-E1040 PolarHBondContact O-N 3.16Å; E1040-Q1042 VanDerWaalsContact C-N 3.31Å; E1040-Q1042 PolarHBondContact O-N 2.88Å; E1040-R1043 CarbonylContact O-C 3.55Å; E1040-R1043 WeakPolarHBondContact O-CA 3.27Å; E1040-R1043 WeakPolarHBondContact O-CB 3.32Å; E1040-R1043 PolarHBondContact O-N 3.02Å; E1040-F1044 HydrophobicContact CB-CD2 4.43Å; E1040-F1044 HydrophobicContact CB-CE2 4.26Å; E1040-F1044 WeakPolarHBondContact O-CD2 3.34Å; E1040-F1044 PolarHBondContact O-N 3.3Å
1041L77.9Confident78.5Confident97 Ų97104.6 Ų104.651%0.50850%0.495SS..Hα-helixtrans-62.8-36.6175.8-158.1101.6000111.4M1037 E1038 F1044 H1045M1037-L1041 VanDerWaalsContact O-CB 3.25Å; M1037-L1041 WeakPolarHBondContact O-CB 3.47Å; M1037-L1041 PolarHBondContact O-N 2.85Å; E1038-L1041 PolarHBondContact O-N 3.03Å; L1041-F1044 PolarHBondContact O-N 3.18Å; L1041-H1045 WeakPolarHBondContact O-CB 3.45Å; L1041-H1045 PolarHBondContact O-CD2 3.22Å; L1041-H1045 PolarHBondContact O-N 3.43Å
1042Q77.3Confident78.7Confident119 Ų119107.3 Ų107.356%0.55651%0.509SS*.Hα-helixtrans-67.6-32.6170.8-78.7-171.916.500113E1038 E1040 K1046E1038-Q1042 WeakPolarHBondContact O-CB 3.48Å; E1038-Q1042 WeakPolarHBondContact O-CG 3.45Å; E1038-Q1042 PolarHBondContact O-N 2.93Å; E1040-Q1042 VanDerWaalsContact C-N 3.31Å; E1040-Q1042 PolarHBondContact O-N 2.88Å; Q1042-K1046 WeakPolarHBondContact O-CB 3.33Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.22Å; Q1042-K1046 PolarHBondContact O-N 2.97Å; Q1042-K1046 VanDerWaalsContact O-N 3.08Å
1043R80.4Confident78.8Confident173 Ų173107 Ų10765%0.65351%0.51SS*.Hα-helixtrans-68.3-45.7171.1-78.3176.1172.8177.50.9110.9T1039 E1040 K1046 Q1047T1039-R1043 WeakPolarHBondContact O-CG 3.2Å; T1039-R1043 PolarHBondContact O-N 2.83Å; E1040-R1043 CarbonylContact O-C 3.55Å; E1040-R1043 WeakPolarHBondContact O-CA 3.27Å; E1040-R1043 WeakPolarHBondContact O-CB 3.32Å; E1040-R1043 PolarHBondContact O-N 3.02Å; R1043-K1046 PolarHBondContact O-N 3.35Å; R1043-Q1047 WeakPolarHBondContact O-CB 3.45Å; R1043-Q1047 WeakPolarHBondContact O-CG 3.21Å; R1043-Q1047 PolarHBondContact O-N 2.8Å
1044F82.3Confident79.1Confident115 Ų115104.5 Ų104.550%0.50450%0.5SS..Hα-helixtrans-65-39.5176.7-71.2-54.7000112.1E1040 L1041 Q1047 N1048E1040-F1044 HydrophobicContact CB-CD2 4.43Å; E1040-F1044 HydrophobicContact CB-CE2 4.26Å; E1040-F1044 WeakPolarHBondContact O-CD2 3.34Å; E1040-F1044 PolarHBondContact O-N 3.3Å; L1041-F1044 PolarHBondContact O-N 3.18Å; F1044-Q1047 CarbonylContact O-C 3.5Å; F1044-Q1047 PolarHBondContact O-N 2.96Å; F1044-N1048 VanDerWaalsContact O-CB 3.28Å; F1044-N1048 WeakPolarHBondContact O-CB 3.37Å; F1044-N1048 VanDerWaalsContact O-CG 3.24Å; F1044-N1048 PolarHBondContact O-N 3.05Å
1045H79.2Confident79Confident105 Ų105105.2 Ų105.249%0.48650%0.503SS..Hα-helixtrans-60.9-49171.2-92.5-69.7000111.6L1041 Q1047 N1048 D1049L1041-H1045 WeakPolarHBondContact O-CB 3.45Å; L1041-H1045 PolarHBondContact O-CD2 3.22Å; L1041-H1045 PolarHBondContact O-N 3.43Å; H1045-Q1047 VanDerWaalsContact C-N 3.26Å; H1045-Q1047 PolarHBondContact O-N 2.88Å; H1045-N1048 PolarHBondContact O-N 2.85Å; H1045-N1048 VanDerWaalsContact O-N 3.12Å; H1045-D1049 WeakPolarHBondContact O-CB 3.25Å; H1045-D1049 PolarHBondContact O-N 2.83Å
1046K80.9Confident79.2Confident140 Ų140104 Ų10461%0.60950%0.503SS*.Hα-helixtrans-61-34.3175.7-74.9171.8-179.1168.50113.1Q1042 R1043 Q1050Q1042-K1046 WeakPolarHBondContact O-CB 3.33Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.22Å; Q1042-K1046 PolarHBondContact O-N 2.97Å; Q1042-K1046 VanDerWaalsContact O-N 3.08Å; R1043-K1046 PolarHBondContact O-N 3.35Å; K1046-Q1050 WeakPolarHBondContact O-CB 3.35Å; K1046-Q1050 PolarHBondContact O-N 3.32Å; K1046-Q1050 VanDerWaalsContact O-N 3.16Å
1047Q81Confident79.3Confident110 Ų110101.9 Ų101.951%0.51449%0.493SS..Hα-helixtrans-71.7-40.2174-74.7176.9-4.100111.8R1043 F1044 H1045 Q1050 L1051R1043-Q1047 WeakPolarHBondContact O-CB 3.45Å; R1043-Q1047 WeakPolarHBondContact O-CG 3.21Å; R1043-Q1047 PolarHBondContact O-N 2.8Å; F1044-Q1047 CarbonylContact O-C 3.5Å; F1044-Q1047 PolarHBondContact O-N 2.96Å; H1045-Q1047 VanDerWaalsContact C-N 3.26Å; H1045-Q1047 PolarHBondContact O-N 2.88Å; Q1047-Q1050 PolarHBondContact O-N 2.88Å; Q1047-L1051 WeakPolarHBondContact O-CB 3.5Å; Q1047-L1051 VanDerWaalsContact O-CG 3.22Å; Q1047-L1051 WeakPolarHBondContact O-CG 3.47Å; Q1047-L1051 PolarHBondContact O-N 2.88Å
1048N78.4Confident79.5Confident86 Ų86101.8 Ų101.846%0.4649%0.494SS..Hα-helixtrans-67.1-44.5176.4-76.2-12.3000111.3F1044 H1045 Q1050 L1051 E1052F1044-N1048 VanDerWaalsContact O-CB 3.28Å; F1044-N1048 WeakPolarHBondContact O-CB 3.37Å; F1044-N1048 VanDerWaalsContact O-CG 3.24Å; F1044-N1048 PolarHBondContact O-N 3.05Å; H1045-N1048 PolarHBondContact O-N 2.85Å; H1045-N1048 VanDerWaalsContact O-N 3.12Å; N1048-Q1050 VanDerWaalsContact C-N 3.29Å; N1048-Q1050 PolarHBondContact O-N 2.84Å; N1048-L1051 CarbonylContact O-C 3.58Å; N1048-L1051 PolarHBondContact O-N 2.83Å; N1048-L1051 VanDerWaalsContact O-N 3.1Å; N1048-E1052 WeakPolarHBondContact O-CG 3.41Å; N1048-E1052 PolarHBondContact O-N 2.8Å
1049D80.1Confident79.8Confident86 Ų86104.1 Ų104.146%0.4650%0.503SS..Hα-helixtrans-56.7-44.6172.8-63.2-15.9000110.6H1045 E1052 I1053H1045-D1049 WeakPolarHBondContact O-CB 3.25Å; H1045-D1049 PolarHBondContact O-N 2.83Å; D1049-E1052 PolarHBondContact O-N 3.04Å; D1049-I1053 VanDerWaalsContact O-CG1 3.31Å; D1049-I1053 WeakPolarHBondContact O-CG1 3.35Å; D1049-I1053 PolarHBondContact O-N 2.94Å
1050Q78.9Confident79.9Confident102 Ų102107.3 Ų107.348%0.47751%0.512SS..Hα-helixtrans-67.3-36.3176.2-173.66265.900112.4K1046 Q1047 N1048 N1054K1046-Q1050 WeakPolarHBondContact O-CB 3.35Å; K1046-Q1050 PolarHBondContact O-N 3.32Å; K1046-Q1050 VanDerWaalsContact O-N 3.16Å; Q1047-Q1050 PolarHBondContact O-N 2.88Å; N1048-Q1050 VanDerWaalsContact C-N 3.29Å; N1048-Q1050 PolarHBondContact O-N 2.84Å; Q1050-N1054 PolarHBondContact NE2-OD1 3.48Å; Q1050-N1054 WeakPolarHBondContact O-CB 3.47Å; Q1050-N1054 PolarHBondContact O-N 2.95Å; Q1050-N1054 PolarHBondContact O-ND2 3.5Å; Q1050-N1054 PolarHBondContact O-OD1 2.81Å
1051L80Confident80.1Confident89 Ų89108.1 Ų108.147%0.46651%0.514SS..Hα-helixtrans-71.5-35.2175-75.3169.7000111.8Q1047 N1048 N1054 I1055Q1047-L1051 WeakPolarHBondContact O-CB 3.5Å; Q1047-L1051 VanDerWaalsContact O-CG 3.22Å; Q1047-L1051 WeakPolarHBondContact O-CG 3.47Å; Q1047-L1051 PolarHBondContact O-N 2.88Å; N1048-L1051 CarbonylContact O-C 3.58Å; N1048-L1051 PolarHBondContact O-N 2.83Å; N1048-L1051 VanDerWaalsContact O-N 3.1Å; L1051-N1054 CarbonylContact O-C 3.55Å; L1051-N1054 PolarHBondContact O-N 3.01Å; L1051-I1055 VanDerWaalsContact O-CB 3.25Å; L1051-I1055 WeakPolarHBondContact O-CB 3.49Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.46Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.4Å; L1051-I1055 PolarHBondContact O-N 2.88Å
1052E80.7Confident80.2Confident131 Ų131111.3 Ų111.361%0.61252%0.52SS*.Hα-helixtrans-65.1-41.9172-77-162.5166.700111.4N1048 D1049 I1055 T1056N1048-E1052 WeakPolarHBondContact O-CG 3.41Å; N1048-E1052 PolarHBondContact O-N 2.8Å; D1049-E1052 PolarHBondContact O-N 3.04Å; E1052-I1055 PolarHBondContact O-N 3.23Å; E1052-T1056 WeakPolarHBondContact O-CB 3.31Å; E1052-T1056 WeakPolarHBondContact O-CG2 3.17Å; E1052-T1056 PolarHBondContact O-N 2.87Å; E1052-T1056 PolarHBondContact O-OG1 3.03Å
1053I81.8Confident80.4Confident83 Ų83112 Ų11243%0.42652%0.522SS..Hα-helixtrans-60-49.1171.3-68.1163.5000109.7D1049 I1055 T1056 E1057D1049-I1053 VanDerWaalsContact O-CG1 3.31Å; D1049-I1053 WeakPolarHBondContact O-CG1 3.35Å; D1049-I1053 PolarHBondContact O-N 2.94Å; I1053-I1055 VanDerWaalsContact C-N 3.33Å; I1053-I1055 PolarHBondContact O-N 3.26Å; I1053-T1056 WeakPolarHBondContact CA-OG1 3.34Å; I1053-T1056 PolarHBondContact O-N 2.77Å; I1053-T1056 PolarHBondContact O-OG1 3.32Å; I1053-E1057 PolarHBondContact O-N 2.9Å
1054N81.2Confident80.4Confident63 Ų63106.5 Ų106.534%0.33751%0.51SS..Hα-helixtrans-61.9-39177.9-65.9-11.1000112.3Q1050 L1051 L1058Q1050-N1054 PolarHBondContact NE2-OD1 3.48Å; Q1050-N1054 WeakPolarHBondContact O-CB 3.47Å; Q1050-N1054 PolarHBondContact O-N 2.95Å; Q1050-N1054 PolarHBondContact O-ND2 3.5Å; Q1050-N1054 PolarHBondContact O-OD1 2.81Å; L1051-N1054 CarbonylContact O-C 3.55Å; L1051-N1054 PolarHBondContact O-N 3.01Å; N1054-L1058 VanDerWaalsContact O-CB 3.26Å; N1054-L1058 WeakPolarHBondContact O-CB 3.38Å; N1054-L1058 WeakPolarHBondContact O-CD1 3.3Å; N1054-L1058 WeakPolarHBondContact O-CG 3.26Å; N1054-L1058 PolarHBondContact O-N 3.34Å
1055I79.2Confident80.4Confident81 Ų81105 Ų10542%0.41551%0.51SS..Hα-helixtrans-69.9-38.5177.9-74.8164.9000110.9L1051 E1052 I1053 L1058 K1059L1051-I1055 VanDerWaalsContact O-CB 3.25Å; L1051-I1055 WeakPolarHBondContact O-CB 3.49Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.46Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.4Å; L1051-I1055 PolarHBondContact O-N 2.88Å; E1052-I1055 PolarHBondContact O-N 3.23Å; I1053-I1055 VanDerWaalsContact C-N 3.33Å; I1053-I1055 PolarHBondContact O-N 3.26Å; I1055-L1058 PolarHBondContact O-N 2.9Å; I1055-K1059 HydrophobicContact CG2-CD 3.9Å; I1055-K1059 HydrophobicContact CG2-CG 4.39Å; I1055-K1059 VanDerWaalsContact O-CB 3.27Å; I1055-K1059 WeakPolarHBondContact O-CB 3.28Å; I1055-K1059 WeakPolarHBondContact O-CG 3.22Å; I1055-K1059 PolarHBondContact O-N 3.03Å
1056T80.5Confident80.5Confident76 Ų76103.2 Ų103.247%0.46650%0.502SS..Hα-helixtrans-70.3-40176.350.20000111.4E1052 I1053 K1059 Q1060E1052-T1056 WeakPolarHBondContact O-CB 3.31Å; E1052-T1056 WeakPolarHBondContact O-CG2 3.17Å; E1052-T1056 PolarHBondContact O-N 2.87Å; E1052-T1056 PolarHBondContact O-OG1 3.03Å; I1053-T1056 WeakPolarHBondContact CA-OG1 3.34Å; I1053-T1056 PolarHBondContact O-N 2.77Å; I1053-T1056 PolarHBondContact O-OG1 3.32Å; T1056-K1059 PolarHBondContact O-N 3.25Å; T1056-Q1060 WeakPolarHBondContact O-CG 3.37Å; T1056-Q1060 PolarHBondContact O-N 2.66Å
1057E80Confident80.4Confident91 Ų91100.7 Ų100.743%0.42550%0.495SS..Hα-helixtrans-60.7-46.6169.2-76.1-167.6-165.600112.4I1053 Q1060 K1061I1053-E1057 PolarHBondContact O-N 2.9Å; E1057-Q1060 PolarHBondContact O-N 3.07Å; E1057-K1061 WeakPolarHBondContact O-CB 3.34Å; E1057-K1061 WeakPolarHBondContact O-CG 3.46Å; E1057-K1061 PolarHBondContact O-N 2.91Å; E1057-K1061 IonicContact OE2-NZ 2.71Å; E1057-K1061 PolarHBondContact OE2-NZ 2.85Å
1058L78.8Confident80.4Confident111 Ų111100.8 Ų100.858%0.58150%0.495SS*.Hα-helixtrans-65.3-37.3178.1-77.5167.3000111.9N1054 I1055 K1061 Y1062N1054-L1058 VanDerWaalsContact O-CB 3.26Å; N1054-L1058 WeakPolarHBondContact O-CB 3.38Å; N1054-L1058 WeakPolarHBondContact O-CD1 3.3Å; N1054-L1058 WeakPolarHBondContact O-CG 3.26Å; N1054-L1058 PolarHBondContact O-N 3.34Å; I1055-L1058 PolarHBondContact O-N 2.9Å; L1058-K1061 PolarHBondContact O-N 3.18Å; L1058-Y1062 VanDerWaalsContact O-CB 3.23Å; L1058-Y1062 WeakPolarHBondContact O-CB 3.34Å; L1058-Y1062 PolarHBondContact O-N 3.44Å
1059K81.9Confident80.5Confident143 Ų14399.8 Ų99.862%0.62249%0.49SS*.Hα-helixtrans-65.8-39172.8-78.3172178.51740111.9I1055 T1056 K1063I1055-K1059 HydrophobicContact CG2-CD 3.9Å; I1055-K1059 HydrophobicContact CG2-CG 4.39Å; I1055-K1059 VanDerWaalsContact O-CB 3.27Å; I1055-K1059 WeakPolarHBondContact O-CB 3.28Å; I1055-K1059 WeakPolarHBondContact O-CG 3.22Å; I1055-K1059 PolarHBondContact O-N 3.03Å; T1056-K1059 PolarHBondContact O-N 3.25Å; K1059-K1063 WeakPolarHBondContact O-CB 3.41Å; K1059-K1063 PolarHBondContact O-N 2.91Å
1060Q79.9Confident80.5Confident147 Ų147100.5 Ų100.569%0.68749%0.489SS*.Hα-helixtrans-66.5-45.7174-74.9-178.25.700111.7T1056 E1057 K1063 S1064T1056-Q1060 WeakPolarHBondContact O-CG 3.37Å; T1056-Q1060 PolarHBondContact O-N 2.66Å; E1057-Q1060 PolarHBondContact O-N 3.07Å; Q1060-K1063 PolarHBondContact O-N 3.31Å; Q1060-S1064 PolarHBondContact O-N 3.49Å
1061K82.2Confident80.6Confident122 Ų122102.9 Ų102.953%0.5350%0.499SS..Hα-helixtrans-60-45.6174.1-74.2168.5-179.5158.30111.6E1057 L1058 K1063 S1064 V1065E1057-K1061 WeakPolarHBondContact O-CB 3.34Å; E1057-K1061 WeakPolarHBondContact O-CG 3.46Å; E1057-K1061 PolarHBondContact O-N 2.91Å; E1057-K1061 IonicContact OE2-NZ 2.71Å; E1057-K1061 PolarHBondContact OE2-NZ 2.85Å; L1058-K1061 PolarHBondContact O-N 3.18Å; K1061-K1063 VanDerWaalsContact C-N 3.33Å; K1061-K1063 PolarHBondContact O-N 3.42Å; K1061-S1064 WeakPolarHBondContact O-CB 2.97Å; K1061-S1064 PolarHBondContact O-N 3.33Å; K1061-V1065 WeakPolarHBondContact O-CG2 3.34Å; K1061-V1065 PolarHBondContact O-N 3.43Å
1062Y79.9Confident80.6Confident164 Ų164105 Ų10564%0.64351%0.507SS*.Hα-helixtrans-57.5-45.4174.5-178.6-90.7000111.4L1058 S1064 V1065 E1066L1058-Y1062 VanDerWaalsContact O-CB 3.23Å; L1058-Y1062 WeakPolarHBondContact O-CB 3.34Å; L1058-Y1062 PolarHBondContact O-N 3.44Å; Y1062-S1064 VanDerWaalsContact C-N 3.34Å; Y1062-S1064 PolarHBondContact O-N 2.84Å; Y1062-V1065 PolarHBondContact O-N 2.91Å; Y1062-E1066 HydrophobicContact CE1-CB 4.5Å; Y1062-E1066 VanDerWaalsContact O-CB 3.26Å; Y1062-E1066 WeakPolarHBondContact O-CB 3.34Å; Y1062-E1066 PolarHBondContact O-N 3.33Å
1063K81.6Confident80.6Confident134 Ų134105.7 Ų105.758%0.58350%0.504SS*.Hα-helixtrans-67.4-30.8178.1-164.7173.4-175.4176.90113.1K1059 Q1060 K1061 N1067K1059-K1063 WeakPolarHBondContact O-CB 3.41Å; K1059-K1063 PolarHBondContact O-N 2.91Å; Q1060-K1063 PolarHBondContact O-N 3.31Å; K1061-K1063 VanDerWaalsContact C-N 3.33Å; K1061-K1063 PolarHBondContact O-N 3.42Å; K1063-N1067 WeakPolarHBondContact O-CB 3.43Å; K1063-N1067 PolarHBondContact O-N 2.89Å; K1063-N1067 PolarHBondContact O-ND2 3.09Å
1064S80.2Confident80.5Confident58 Ų58105.6 Ų105.641%0.40650%0.502SS..Hα-helixtrans-64.3-56.2170-1620000110.6Q1060 K1061 Y1062 E1066 N1067 E1068Q1060-S1064 PolarHBondContact O-N 3.49Å; K1061-S1064 WeakPolarHBondContact O-CB 2.97Å; K1061-S1064 PolarHBondContact O-N 3.33Å; Y1062-S1064 VanDerWaalsContact C-N 3.34Å; Y1062-S1064 PolarHBondContact O-N 2.84Å; S1064-E1066 VanDerWaalsContact C-N 3.28Å; S1064-E1066 PolarHBondContact O-N 2.92Å; S1064-N1067 WeakPolarHBondContact O-CA 3.34Å; S1064-N1067 WeakPolarHBondContact O-CB 3.38Å; S1064-N1067 PolarHBondContact O-N 2.73Å; S1064-E1068 WeakPolarHBondContact O-CG 3.44Å; S1064-E1068 PolarHBondContact O-N 2.92Å; S1064-E1068 PolarHBondContact OG-OE1 3.28Å
1065V81.5Confident80.4Confident84 Ų84105.8 Ų105.851%0.50951%0.508SS..Hα-helixtrans-61.4-35.3-179.8174.60000111.6K1061 Y1062 L1069K1061-V1065 WeakPolarHBondContact O-CG2 3.34Å; K1061-V1065 PolarHBondContact O-N 3.43Å; Y1062-V1065 PolarHBondContact O-N 2.91Å; V1065-L1069 WeakPolarHBondContact O-CB 3.49Å; V1065-L1069 PolarHBondContact O-N 3.47Å
1066E81.4Confident80.4Confident67 Ų67105.4 Ų105.431%0.31351%0.51SS..Hα-helixtrans-66.3-36.8174.8-162-156.7159.600111.9Y1062 S1064 K1070Y1062-E1066 HydrophobicContact CE1-CB 4.5Å; Y1062-E1066 VanDerWaalsContact O-CB 3.26Å; Y1062-E1066 WeakPolarHBondContact O-CB 3.34Å; Y1062-E1066 PolarHBondContact O-N 3.33Å; S1064-E1066 VanDerWaalsContact C-N 3.28Å; S1064-E1066 PolarHBondContact O-N 2.92Å; E1066-K1070 WeakPolarHBondContact O-CB 3.36Å; E1066-K1070 WeakPolarHBondContact O-CD 3.27Å; E1066-K1070 WeakPolarHBondContact O-CG 3.44Å; E1066-K1070 PolarHBondContact O-N 3.35Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.25Å; E1066-K1070 IonicContact OE1-NZ 3.67Å; E1066-K1070 PolarHBondContact OE1-NZ 3.11Å; E1066-K1070 IonicContact OE2-NZ 2.81Å
1067N79.4Confident80.4Confident86 Ų86109.5 Ų109.546%0.4652%0.516SS..Hα-helixtrans-73.3-42.1175.7-72.8-22.1000111.8K1063 S1064 K1070 H1071K1063-N1067 WeakPolarHBondContact O-CB 3.43Å; K1063-N1067 PolarHBondContact O-N 2.89Å; K1063-N1067 PolarHBondContact O-ND2 3.09Å; S1064-N1067 WeakPolarHBondContact O-CA 3.34Å; S1064-N1067 WeakPolarHBondContact O-CB 3.38Å; S1064-N1067 PolarHBondContact O-N 2.73Å; N1067-K1070 WeakPolarHBondContact O-CB 3.32Å; N1067-K1070 PolarHBondContact O-N 3.5Å; N1067-H1071 PolarHBondContact O-N 3.21Å
1068E81Confident80.5Confident112 Ų112108.8 Ų108.852%0.52352%0.516SS..Hα-helixtrans-58.3-49.8172-71.8157.7-136.200110.5S1064 K1070 H1071 E1072S1064-E1068 WeakPolarHBondContact O-CG 3.44Å; S1064-E1068 PolarHBondContact O-N 2.92Å; S1064-E1068 PolarHBondContact OG-OE1 3.28Å; E1068-K1070 VanDerWaalsContact C-N 3.31Å; E1068-K1070 PolarHBondContact O-N 3.06Å; E1068-H1071 CarbonylContact O-C 3.58Å; E1068-H1071 WeakPolarHBondContact O-CA 3.47Å; E1068-H1071 WeakPolarHBondContact O-CB 3.34Å; E1068-H1071 PolarHBondContact O-N 2.87Å; E1068-E1072 WeakPolarHBondContact O-CB 3.29Å; E1068-E1072 PolarHBondContact O-N 3.17Å
1069L79.5Confident80.5Confident65 Ų65107.3 Ų107.334%0.3451%0.511SS..Hα-helixtrans-62.2-34.3176.4-172.3103.7000112.4V1065 R1073V1065-L1069 WeakPolarHBondContact O-CB 3.49Å; V1065-L1069 PolarHBondContact O-N 3.47Å; L1069-R1073 VanDerWaalsContact CD2-CZ 3.49Å; L1069-R1073 WeakPolarHBondContact O-CB 3.47Å; L1069-R1073 WeakPolarHBondContact O-CD 3.46Å; L1069-R1073 WeakPolarHBondContact O-CG 3.2Å; L1069-R1073 PolarHBondContact O-N 2.85Å
1070K82Confident80.4Confident102 Ų102105 Ų10544%0.44350%0.503SS..Hα-helixtrans-66.1-41.4171.2-79.8166-171.8163.90111.4E1066 N1067 E1068 Q1074E1066-K1070 WeakPolarHBondContact O-CB 3.36Å; E1066-K1070 WeakPolarHBondContact O-CD 3.27Å; E1066-K1070 WeakPolarHBondContact O-CG 3.44Å; E1066-K1070 PolarHBondContact O-N 3.35Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.25Å; E1066-K1070 IonicContact OE1-NZ 3.67Å; E1066-K1070 PolarHBondContact OE1-NZ 3.11Å; E1066-K1070 IonicContact OE2-NZ 2.81Å; N1067-K1070 WeakPolarHBondContact O-CB 3.32Å; N1067-K1070 PolarHBondContact O-N 3.5Å; E1068-K1070 VanDerWaalsContact C-N 3.31Å; E1068-K1070 PolarHBondContact O-N 3.06Å; K1070-Q1074 WeakPolarHBondContact O-CB 3.15Å; K1070-Q1074 PolarHBondContact O-N 3.1Å
1071H80.3Confident80.5Confident151 Ų151101 Ų10170%0.69949%0.491SS*.Hα-helixtrans-69.5-44.8179.4-149.360.3000111.6N1067 E1068 Q1074 S1075N1067-H1071 PolarHBondContact O-N 3.21Å; E1068-H1071 CarbonylContact O-C 3.58Å; E1068-H1071 WeakPolarHBondContact O-CA 3.47Å; E1068-H1071 WeakPolarHBondContact O-CB 3.34Å; E1068-H1071 PolarHBondContact O-N 2.87Å; H1071-Q1074 PolarHBondContact O-N 3.23Å; H1071-S1075 PolarHBondContact O-N 2.98Å
1072E78.6Confident80.5Confident133 Ų13399.9 Ų99.962%0.62149%0.489SS*.Hα-helixtrans-61.3-46.1174.3-169.7-171.9-159.900111.2E1068 Q1074 S1075 T1076E1068-E1072 WeakPolarHBondContact O-CB 3.29Å; E1068-E1072 PolarHBondContact O-N 3.17Å; E1072-Q1074 VanDerWaalsContact C-N 3.29Å; E1072-Q1074 PolarHBondContact O-N 2.99Å; E1072-S1075 CarbonylContact O-C 3.56Å; E1072-S1075 WeakPolarHBondContact O-CB 3.49Å; E1072-S1075 PolarHBondContact O-N 3.4Å; E1072-T1076 PolarHBondContact O-N 3.04Å; E1072-T1076 PolarHBondContact O-OG1 3.17Å
1073R80.8Confident80.6Confident147 Ų14795.4 Ų95.456%0.55548%0.479SS*.Hα-helixtrans-61.6-34.7174.4-78.6172171.8-175.4-0.8113.1L1069 T1076 R1077L1069-R1073 VanDerWaalsContact CD2-CZ 3.49Å; L1069-R1073 WeakPolarHBondContact O-CB 3.47Å; L1069-R1073 WeakPolarHBondContact O-CD 3.46Å; L1069-R1073 WeakPolarHBondContact O-CG 3.2Å; L1069-R1073 PolarHBondContact O-N 2.85Å; R1073-T1076 WeakPolarHBondContact CA-OG1 3.48Å; R1073-R1077 WeakPolarHBondContact O-CD 3.4Å; R1073-R1077 VanDerWaalsContact O-CG 3.24Å; R1073-R1077 WeakPolarHBondContact O-CG 3.28Å; R1073-R1077 PolarHBondContact O-N 2.91Å
1074Q80.1Confident80.6Confident80 Ų8096.4 Ų96.437%0.37448%0.479SS..Hα-helixtrans-69.6-45.8175.1-171.756.338.500110.1K1070 H1071 E1072 T1076 R1077 D1078K1070-Q1074 WeakPolarHBondContact O-CB 3.15Å; K1070-Q1074 PolarHBondContact O-N 3.1Å; H1071-Q1074 PolarHBondContact O-N 3.23Å; E1072-Q1074 VanDerWaalsContact C-N 3.29Å; E1072-Q1074 PolarHBondContact O-N 2.99Å; Q1074-T1076 VanDerWaalsContact C-N 3.33Å; Q1074-T1076 PolarHBondContact O-N 2.82Å; Q1074-R1077 WeakPolarHBondContact O-CB 3.36Å; Q1074-R1077 PolarHBondContact O-N 2.86Å; Q1074-R1077 VanDerWaalsContact O-N 3.09Å; Q1074-D1078 PolarHBondContact NE2-OD1 3.42Å; Q1074-D1078 PolarHBondContact NE2-OD2 2.99Å; Q1074-D1078 PolarHBondContact O-N 3.15Å
1075S79.6Confident80.7Confident68 Ų68101.3 Ų101.348%0.47649%0.489SS..Hα-helixtrans-57-42.5172.3-174.70000112.5H1071 E1072 R1077 D1078 V1079H1071-S1075 PolarHBondContact O-N 2.98Å; E1072-S1075 CarbonylContact O-C 3.56Å; E1072-S1075 WeakPolarHBondContact O-CB 3.49Å; E1072-S1075 PolarHBondContact O-N 3.4Å; S1075-R1077 PolarHBondContact O-N 2.64Å; S1075-D1078 PolarHBondContact O-N 3.32Å; S1075-V1079 WeakPolarHBondContact O-CB 3.3Å; S1075-V1079 WeakPolarHBondContact O-CG2 3.5Å; S1075-V1079 PolarHBondContact O-N 2.86Å
1076T80Confident80.8Confident73 Ų73100.2 Ų100.245%0.44848%0.48SS..Hα-helixtrans-64-39.2175.2-1.10000112.1E1072 R1073 Q1074 E1080E1072-T1076 PolarHBondContact O-N 3.04Å; E1072-T1076 PolarHBondContact O-OG1 3.17Å; R1073-T1076 WeakPolarHBondContact CA-OG1 3.48Å; Q1074-T1076 VanDerWaalsContact C-N 3.33Å; Q1074-T1076 PolarHBondContact O-N 2.82Å; T1076-E1080 VanDerWaalsContact O-CB 3.29Å; T1076-E1080 WeakPolarHBondContact O-CB 3.33Å; T1076-E1080 WeakPolarHBondContact O-CG 3.31Å; T1076-E1080 PolarHBondContact O-N 2.81Å
1077R79.5Confident80.9Confident161 Ų161104 Ų10461%0.60850%0.495SS*.Hα-helixtrans-65.1-40.5174.9-74.6166.4174.4-174.8-3112.1R1073 Q1074 S1075 E1080 S1081R1073-R1077 WeakPolarHBondContact O-CD 3.4Å; R1073-R1077 VanDerWaalsContact O-CG 3.24Å; R1073-R1077 WeakPolarHBondContact O-CG 3.28Å; R1073-R1077 PolarHBondContact O-N 2.91Å; Q1074-R1077 WeakPolarHBondContact O-CB 3.36Å; Q1074-R1077 PolarHBondContact O-N 2.86Å; Q1074-R1077 VanDerWaalsContact O-N 3.09Å; S1075-R1077 PolarHBondContact O-N 2.64Å; R1077-E1080 PolarHBondContact O-N 3.5Å; R1077-S1081 WeakPolarHBondContact O-CB 3.45Å; R1077-S1081 PolarHBondContact O-N 2.98Å
1078D81.6Confident81.1Confident76 Ų76103.7 Ų103.741%0.40650%0.497SS..Hα-helixtrans-69.1-44.4-179.4-63.7-23.2000110Q1074 S1075 S1081 I1082Q1074-D1078 PolarHBondContact NE2-OD1 3.42Å; Q1074-D1078 PolarHBondContact NE2-OD2 2.99Å; Q1074-D1078 PolarHBondContact O-N 3.15Å; S1075-D1078 PolarHBondContact O-N 3.32Å; D1078-S1081 WeakPolarHBondContact O-CB 2.99Å; D1078-S1081 PolarHBondContact O-N 3.35Å; D1078-S1081 VanDerWaalsContact O-N 3.15Å; D1078-S1081 PolarHBondContact O-OG 2.87Å; D1078-I1082 WeakPolarHBondContact O-CG1 3.17Å; D1078-I1082 PolarHBondContact O-N 3.01Å
1079V79.3Confident81.2Confident80 Ų8099.6 Ų99.649%0.48548%0.479SS..Hα-helixtrans-61.5-44.7170.8172.70000111.8S1075 S1081 I1082 V1083S1075-V1079 WeakPolarHBondContact O-CB 3.3Å; S1075-V1079 WeakPolarHBondContact O-CG2 3.5Å; S1075-V1079 PolarHBondContact O-N 2.86Å; V1079-S1081 VanDerWaalsContact C-N 3.25Å; V1079-S1081 PolarHBondContact O-N 3.28Å; V1079-I1082 PolarHBondContact O-N 3.24Å; V1079-V1083 HydrophobicContact CG1-CG2 4.34Å; V1079-V1083 WeakPolarHBondContact O-CG2 3.45Å; V1079-V1083 PolarHBondContact O-N 2.7Å
1080E80.4Confident81.4Confident96 Ų96100.7 Ų100.745%0.44948%0.484SS..Hα-helixtrans-59.1-37.4173.3-86.1-168.4-157.700111.9T1076 R1077 V1083 R1084T1076-E1080 VanDerWaalsContact O-CB 3.29Å; T1076-E1080 WeakPolarHBondContact O-CB 3.33Å; T1076-E1080 WeakPolarHBondContact O-CG 3.31Å; T1076-E1080 PolarHBondContact O-N 2.81Å; R1077-E1080 PolarHBondContact O-N 3.5Å; E1080-V1083 PolarHBondContact O-N 2.83Å; E1080-R1084 WeakPolarHBondContact O-CB 3.43Å; E1080-R1084 WeakPolarHBondContact O-CG 3.32Å; E1080-R1084 PolarHBondContact O-N 3.12Å; E1080-R1084 IonicContact OE2-CZ 3.5Å; E1080-R1084 IonicContact OE2-NE 3.74Å; E1080-R1084 IonicContact OE2-NH2 2.66Å; E1080-R1084 PolarHBondContact OE2-NH2 3.02Å
1081S82.3Confident81.5Confident63 Ų63103.3 Ų103.344%0.44150%0.496SS..Hα-helixtrans-65.1-40.6177.2870000111.5R1077 D1078 V1079 R1084 R1085R1077-S1081 WeakPolarHBondContact O-CB 3.45Å; R1077-S1081 PolarHBondContact O-N 2.98Å; D1078-S1081 WeakPolarHBondContact O-CB 2.99Å; D1078-S1081 PolarHBondContact O-N 3.35Å; D1078-S1081 VanDerWaalsContact O-N 3.15Å; D1078-S1081 PolarHBondContact O-OG 2.87Å; V1079-S1081 VanDerWaalsContact C-N 3.25Å; V1079-S1081 PolarHBondContact O-N 3.28Å; S1081-R1084 PolarHBondContact O-N 2.85Å; S1081-R1085 WeakPolarHBondContact O-CB 3.41Å; S1081-R1085 PolarHBondContact O-N 2.96Å
1082I81.3Confident81.5Confident97 Ų97100.8 Ų100.850%0.49749%0.487SS..Hα-helixtrans-65.4-47174.9-65.1164.5000110D1078 V1079 R1084 R1085 L1086D1078-I1082 WeakPolarHBondContact O-CG1 3.17Å; D1078-I1082 PolarHBondContact O-N 3.01Å; V1079-I1082 PolarHBondContact O-N 3.24Å; I1082-R1084 PolarHBondContact O-N 3.39Å; I1082-R1085 PolarHBondContact O-N 3.01Å; I1082-L1086 WeakPolarHBondContact O-CB 3.16Å; I1082-L1086 PolarHBondContact O-N 2.86Å
1083V81.7Confident81.6Confident71 Ų7195.4 Ų95.443%0.4346%0.464SS..Hα-helixtrans-62.6-40.1177.5171.10000111.8V1079 E1080 K1087V1079-V1083 HydrophobicContact CG1-CG2 4.34Å; V1079-V1083 WeakPolarHBondContact O-CG2 3.45Å; V1079-V1083 PolarHBondContact O-N 2.7Å; E1080-V1083 PolarHBondContact O-N 2.83Å; V1083-K1087 WeakPolarHBondContact O-CB 3.41Å; V1083-K1087 WeakPolarHBondContact O-CG 3.4Å; V1083-K1087 PolarHBondContact O-N 3Å
1084R82.2Confident81.6Confident155 Ų15591.9 Ų91.959%0.58546%0.458SS*.Hα-helixtrans-63.8-46.9173.4-72.3175.6-149.5173.76.5110.9E1080 S1081 I1082 L1086 K1087 T1088E1080-R1084 WeakPolarHBondContact O-CB 3.43Å; E1080-R1084 WeakPolarHBondContact O-CG 3.32Å; E1080-R1084 PolarHBondContact O-N 3.12Å; E1080-R1084 IonicContact OE2-CZ 3.5Å; E1080-R1084 IonicContact OE2-NE 3.74Å; E1080-R1084 IonicContact OE2-NH2 2.66Å; E1080-R1084 PolarHBondContact OE2-NH2 3.02Å; S1081-R1084 PolarHBondContact O-N 2.85Å; I1082-R1084 PolarHBondContact O-N 3.39Å; R1084-L1086 VanDerWaalsContact C-N 3.34Å; R1084-L1086 PolarHBondContact O-N 3.26Å; R1084-K1087 WeakPolarHBondContact O-CB 3.49Å; R1084-K1087 PolarHBondContact O-N 3.14Å; R1084-T1088 PolarHBondContact O-N 3.49Å; R1084-T1088 PolarHBondContact O-OG1 3.16Å; R1084-T1088 VanDerWaalsContact O-OG1 3.07Å
1085R82.8Confident81.5Confident160 Ų16091.2 Ų91.260%0.60447%0.473SS*.Hα-helixtrans-59.7-42.8177.5-168-179.6-168.5-173.92.9111.9S1081 I1082 T1088 D1089S1081-R1085 WeakPolarHBondContact O-CB 3.41Å; S1081-R1085 PolarHBondContact O-N 2.96Å; I1082-R1085 PolarHBondContact O-N 3.01Å; R1085-T1088 PolarHBondContact O-N 2.93Å; R1085-D1089 WeakPolarHBondContact O-CB 3.46Å; R1085-D1089 PolarHBondContact O-N 3.32Å
1086L83Confident81.5Confident62 Ų6290.4 Ų90.433%0.32546%0.463SS..Hα-helixtrans-65.7-41.1175.4-172.3150.4000111.6I1082 R1084 T1088 D1089 L1090 H1114I1082-L1086 WeakPolarHBondContact O-CB 3.16Å; I1082-L1086 PolarHBondContact O-N 2.86Å; R1084-L1086 VanDerWaalsContact C-N 3.34Å; R1084-L1086 PolarHBondContact O-N 3.26Å; L1086-T1088 PolarHBondContact O-N 3.24Å; L1086-D1089 PolarHBondContact O-N 2.85Å; L1086-L1090 HydrophobicContact CD2-CD1 4.46Å; L1086-L1090 WeakPolarHBondContact O-CB 3.43Å; L1086-L1090 PolarHBondContact O-N 2.98Å; L1086-H1114 HydrophobicContact CD1-CB 4.17Å
1087K83.5Confident81.4Confident145 Ų14592.5 Ų92.563%0.6347%0.47SS*.Hα-helixtrans-60.2-42.4172.1-80.2-178.1177.3-178.40112.3V1083 R1084 L1090 F1091V1083-K1087 WeakPolarHBondContact O-CB 3.41Å; V1083-K1087 WeakPolarHBondContact O-CG 3.4Å; V1083-K1087 PolarHBondContact O-N 3Å; R1084-K1087 WeakPolarHBondContact O-CB 3.49Å; R1084-K1087 PolarHBondContact O-N 3.14Å; K1087-L1090 PolarHBondContact O-N 2.94Å; K1087-F1091 WeakPolarHBondContact O-CB 3.48Å; K1087-F1091 PolarHBondContact O-N 3.42Å
1088T83.9Confident81.3Confident80 Ų8093.6 Ų93.649%0.49148%0.482SS..Hα-helixtrans-66.4-45.6176.9-51.80000111.7R1084 R1085 L1086 L1090 F1091 N1092R1084-T1088 PolarHBondContact O-N 3.49Å; R1084-T1088 PolarHBondContact O-OG1 3.16Å; R1084-T1088 VanDerWaalsContact O-OG1 3.07Å; R1085-T1088 PolarHBondContact O-N 2.93Å; L1086-T1088 PolarHBondContact O-N 3.24Å; T1088-L1090 VanDerWaalsContact C-N 3.34Å; T1088-L1090 PolarHBondContact O-N 3.5Å; T1088-F1091 PolarHBondContact O-N 2.84Å; T1088-N1092 VanDerWaalsContact O-CG 3.24Å; T1088-N1092 PolarHBondContact O-N 2.96Å; T1088-N1092 PolarHBondContact O-ND2 3.22Å
1089D82.9Confident81.3Confident27 Ų2794.8 Ų94.814%0.14449%0.486CS..Hα-helixtrans-62-41.4176-74.4-32.4000111.7R1085 L1086 N1092 V1093 L1110 K1113 H1114R1085-D1089 WeakPolarHBondContact O-CB 3.46Å; R1085-D1089 PolarHBondContact O-N 3.32Å; L1086-D1089 PolarHBondContact O-N 2.85Å; D1089-N1092 PolarHBondContact O-N 3.45Å; D1089-V1093 WeakPolarHBondContact O-CG2 3.47Å; D1089-V1093 PolarHBondContact O-N 2.89Å; D1089-L1110 HydrophobicContact CB-CD1 4.13Å; D1089-K1113 IonicContact OD1-NZ 3.79Å; D1089-K1113 PolarHBondContact OD1-NZ 3.26Å; D1089-K1113 WeakPolarHBondContact OD2-CD 3.41Å; D1089-K1113 VanDerWaalsContact OD2-CE 3.27Å; D1089-K1113 WeakPolarHBondContact OD2-CE 3.42Å; D1089-K1113 IonicContact OD2-NZ 2.63Å; D1089-K1113 PolarHBondContact OD2-NZ 2.92Å; D1089-H1114 IonicContact OD2-CD2 3.42Å; D1089-H1114 IonicContact OD2-CE1 3.96Å; D1089-H1114 PolarHBondContact OD2-CE1 3.13Å; D1089-H1114 IonicContact OD2-NE2 3.53Å; D1089-H1114 PolarHBondContact OD2-NE2 3.36Å
1090L84.3Confident81.3Confident87 Ų8795.8 Ų95.846%0.45549%0.494SS..Hα-helixtrans-67.3-40.3177.5-169.4150.1000111.6L1086 K1087 T1088 N1092 V1093 V1094 L1110L1086-L1090 HydrophobicContact CD2-CD1 4.46Å; L1086-L1090 WeakPolarHBondContact O-CB 3.43Å; L1086-L1090 PolarHBondContact O-N 2.98Å; K1087-L1090 PolarHBondContact O-N 2.94Å; T1088-L1090 VanDerWaalsContact C-N 3.34Å; T1088-L1090 PolarHBondContact O-N 3.5Å; L1090-N1092 VanDerWaalsContact C-N 3.33Å; L1090-N1092 PolarHBondContact O-N 2.54Å; L1090-V1093 PolarHBondContact O-N 2.93Å; L1090-V1094 HydrophobicContact CD2-CG2 3.93Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.12Å; L1090-V1094 PolarHBondContact O-N 2.92Å; L1090-L1110 HydrophobicContact CB-CD1 4.22Å
1091F84.2Confident81.4Confident157 Ų157100.1 Ų100.169%0.68951%0.511SS*.Hα-helixtrans-59.8-42.5173.3-176-94.7000111.9K1087 T1088 V1093 V1094 G1095K1087-F1091 WeakPolarHBondContact O-CB 3.48Å; K1087-F1091 PolarHBondContact O-N 3.42Å; T1088-F1091 PolarHBondContact O-N 2.84Å; F1091-V1093 VanDerWaalsContact C-N 3.34Å; F1091-V1093 PolarHBondContact O-N 3.4Å; F1091-V1094 PolarHBondContact O-N 3.29Å; F1091-G1095 PolarHBondContact O-N 2.85Å
1092N80.1Confident81.2Confident98 Ų98101.5 Ų101.552%0.52451%0.511SS..Hα-helixtrans-63.2-38.2174.9-66.3-22.9000112.1T1088 D1089 L1090 G1095T1088-N1092 VanDerWaalsContact O-CG 3.24Å; T1088-N1092 PolarHBondContact O-N 2.96Å; T1088-N1092 PolarHBondContact O-ND2 3.22Å; D1089-N1092 PolarHBondContact O-N 3.45Å; L1090-N1092 VanDerWaalsContact C-N 3.33Å; L1090-N1092 PolarHBondContact O-N 2.54Å; N1092-G1095 PolarHBondContact O-N 2.85Å
1093V80.5Confident81.2Confident21 Ų2199 Ų9913%0.12750%0.498CS..Hα-helixtrans-72-32.9176.6172.90000112.3D1089 L1090 F1091 G1095 L1096 L1103 I1107 L1110D1089-V1093 WeakPolarHBondContact O-CG2 3.47Å; D1089-V1093 PolarHBondContact O-N 2.89Å; L1090-V1093 PolarHBondContact O-N 2.93Å; F1091-V1093 VanDerWaalsContact C-N 3.34Å; F1091-V1093 PolarHBondContact O-N 3.4Å; V1093-G1095 PolarHBondContact O-N 2.95Å; V1093-L1096 WeakPolarHBondContact O-CB 3.2Å; V1093-L1096 PolarHBondContact O-N 2.86Å; V1093-L1103 HydrophobicContact CG1-CD1 3.81Å; V1093-L1103 WeakPolarHBondContact O-CD1 3.31Å; V1093-I1107 HydrophobicContact CG1-CG1 3.9Å; V1093-L1110 HydrophobicContact CG2-CD1 4.26Å
1094V80.4Confident81.2Confident72 Ų72102.7 Ų102.744%0.43651%0.508SS..Hα-helixtrans-61.3-30.6174165.40000111.9L1090 F1091 L1096 I1097L1090-V1094 HydrophobicContact CD2-CG2 3.93Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.12Å; L1090-V1094 PolarHBondContact O-N 2.92Å; F1091-V1094 PolarHBondContact O-N 3.29Å; V1094-L1096 PolarHBondContact O-N 2.78Å; V1094-L1096 VanDerWaalsContact O-N 3.15Å; V1094-I1097 HydrophobicContact CG1-CD1 4.03Å; V1094-I1097 WeakPolarHBondContact O-CB 3.33Å; V1094-I1097 WeakPolarHBondContact O-CG1 3.34Å; V1094-I1097 PolarHBondContact O-N 3.47Å
1095G78Confident81.2Confident67 Ų6798.1 Ų98.169%0.69150%0.503SS*.THydrogen-bonded Turntrans-60.3-19.2171.800000114.7F1091 N1092 V1093F1091-G1095 PolarHBondContact O-N 2.85Å; N1092-G1095 PolarHBondContact O-N 2.85Å; V1093-G1095 PolarHBondContact O-N 2.95Å
1096L80.5Confident81.1Confident51 Ų5191.2 Ų91.227%0.26748%0.483SS..THydrogen-bonded Turntrans-9210.1-179.6-56.6173000113.5V1093 V1094 Q1098 E1099 Q1102 L1103V1093-L1096 WeakPolarHBondContact O-CB 3.2Å; V1093-L1096 PolarHBondContact O-N 2.86Å; V1094-L1096 PolarHBondContact O-N 2.78Å; V1094-L1096 VanDerWaalsContact O-N 3.15Å; L1096-Q1098 PolarHBondContact O-N 2.94Å; L1096-Q1098 VanDerWaalsContact O-N 3.09Å; L1096-E1099 PolarHBondContact O-N 3.22Å; L1096-Q1102 HydrophobicContact CD1-CB 4.36Å; L1096-Q1102 HydrophobicContact CD2-CB 4.33Å; L1096-L1103 HydrophobicContact CB-CB 4.43Å; L1096-L1103 HydrophobicContact CB-CD1 4.31Å
1097I77.1Confident81Confident116 Ų11692.8 Ų92.860%0.59549%0.49SS*.THydrogen-bonded Turntrans-53.7-30.9-177-92.3174.6000114V1094 E1099V1094-I1097 HydrophobicContact CG1-CD1 4.03Å; V1094-I1097 WeakPolarHBondContact O-CB 3.33Å; V1094-I1097 WeakPolarHBondContact O-CG1 3.34Å; V1094-I1097 PolarHBondContact O-N 3.47Å; I1097-E1099 VanDerWaalsContact C-N 3.31Å; I1097-E1099 PolarHBondContact O-N 3.23Å
1098Q77.7Confident80.9Confident184 Ų18490.6 Ų90.686%0.8649%0.485SS*.THydrogen-bonded Turntrans-79.1-11.9-179.9-62.4-174.4-0.500113.6L1096L1096-Q1098 PolarHBondContact O-N 2.94Å; L1096-Q1098 VanDerWaalsContact O-N 3.09Å
1099E80.9Confident80.7Confident102 Ų10289.6 Ų89.648%0.47749%0.485SS..  trans-123.986.9-174.1-71.7-157-131.800112.3L1096 I1097 K1101 Q1102 L1103L1096-E1099 PolarHBondContact O-N 3.22Å; I1097-E1099 VanDerWaalsContact C-N 3.31Å; I1097-E1099 PolarHBondContact O-N 3.23Å; E1099-K1101 PolarHBondContact O-N 3.46Å; E1099-Q1102 HydrophobicContact CB-CB 4.03Å; E1099-Q1102 HydrophobicContact CB-CG 4.07Å; E1099-Q1102 VanDerWaalsContact CD-NE2 3.29Å; E1099-Q1102 PolarHBondContact O-N 2.75Å; E1099-Q1102 PolarHBondContact OE1-NE2 3.37Å; E1099-Q1102 WeakPolarHBondContact OE2-CG 3.33Å; E1099-Q1102 PolarHBondContact OE2-NE2 2.82Å; E1099-L1103 PolarHBondContact O-N 3.5Å
1100P80.1Confident80.6Confident101 Ų10190.1 Ų90.166%0.65649%0.487SS*.Hα-helixtrans-61.9-25.6-169.221.9-33.5000114.6K1104P1100-K1104 WeakPolarHBondContact O-CB 3.37Å; P1100-K1104 PolarHBondContact O-N 3.02Å
1101K81.1Confident80.2Confident187 Ų18793 Ų9381%0.81349%0.493SS*.Hα-helixtrans-71.6-42.8173.5-68.8-177.2-179.4176.70111.9E1099 A1105E1099-K1101 PolarHBondContact O-N 3.46Å; K1101-A1105 PolarHBondContact O-N 3.1Å
1102Q79.3Confident79.9Confident92 Ų9293.7 Ų93.743%0.4350%0.496SS..Hα-helixtrans-71.8-40.9177.9-60.4-156.63400111.2L1096 E1099 K1104 A1105 G1106L1096-Q1102 HydrophobicContact CD1-CB 4.36Å; L1096-Q1102 HydrophobicContact CD2-CB 4.33Å; E1099-Q1102 HydrophobicContact CB-CB 4.03Å; E1099-Q1102 HydrophobicContact CB-CG 4.07Å; E1099-Q1102 VanDerWaalsContact CD-NE2 3.29Å; E1099-Q1102 PolarHBondContact O-N 2.75Å; E1099-Q1102 PolarHBondContact OE1-NE2 3.37Å; E1099-Q1102 WeakPolarHBondContact OE2-CG 3.33Å; E1099-Q1102 PolarHBondContact OE2-NE2 2.82Å; Q1102-K1104 VanDerWaalsContact C-N 3.34Å; Q1102-K1104 PolarHBondContact O-N 3.03Å; Q1102-A1105 WeakPolarHBondContact O-CB 3.33Å; Q1102-A1105 PolarHBondContact O-N 2.99Å; Q1102-A1105 VanDerWaalsContact O-N 3.12Å; Q1102-G1106 PolarHBondContact O-N 2.9Å
1103L80.7Confident79.6Confident45 Ų4593.3 Ų93.324%0.23649%0.489CS..Hα-helixtrans-55.6-46.8174.1-173.569.8000111.8V1093 L1096 E1099 A1105 G1106 I1107V1093-L1103 HydrophobicContact CG1-CD1 3.81Å; V1093-L1103 WeakPolarHBondContact O-CD1 3.31Å; L1096-L1103 HydrophobicContact CB-CB 4.43Å; L1096-L1103 HydrophobicContact CB-CD1 4.31Å; E1099-L1103 PolarHBondContact O-N 3.5Å; L1103-A1105 VanDerWaalsContact C-N 3.33Å; L1103-A1105 PolarHBondContact O-N 2.96Å; L1103-G1106 PolarHBondContact O-N 2.79Å; L1103-I1107 HydrophobicContact CD1-CD1 4.31Å; L1103-I1107 HydrophobicContact CG-CD1 3.99Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.5Å; L1103-I1107 PolarHBondContact O-N 3.47Å
1104K81.5Confident79.2Confident148 Ų14894.5 Ų94.564%0.64349%0.494SS*.Hα-helixtrans-60.2-41176.2-176.3176.3179.3178.10112.3P1100 Q1102 L1108P1100-K1104 WeakPolarHBondContact O-CB 3.37Å; P1100-K1104 PolarHBondContact O-N 3.02Å; Q1102-K1104 VanDerWaalsContact C-N 3.34Å; Q1102-K1104 PolarHBondContact O-N 3.03Å; K1104-L1108 HydrophobicContact CG-CD1 4.23Å; K1104-L1108 WeakPolarHBondContact O-CB 3.45Å; K1104-L1108 WeakPolarHBondContact O-CG 3.44Å; K1104-L1108 PolarHBondContact O-N 3.12Å; K1104-L1108 VanDerWaalsContact O-N 3.11Å
1105A82.6Confident78.5Confident58 Ų5895.2 Ų95.248%0.47949%0.494SS..Hα-helixtrans-67.3-42176.200000112.1K1101 Q1102 L1103 L1108 A1109K1101-A1105 PolarHBondContact O-N 3.1Å; Q1102-A1105 WeakPolarHBondContact O-CB 3.33Å; Q1102-A1105 PolarHBondContact O-N 2.99Å; Q1102-A1105 VanDerWaalsContact O-N 3.12Å; L1103-A1105 VanDerWaalsContact C-N 3.33Å; L1103-A1105 PolarHBondContact O-N 2.96Å; A1105-L1108 PolarHBondContact O-N 3.16Å; A1105-A1109 WeakPolarHBondContact O-CB 3.47Å; A1105-A1109 PolarHBondContact O-N 2.96Å
1106G81.2Confident77.5Confident16 Ų1698.9 Ų98.917%0.16549%0.493CS..Hα-helixtrans-62.7-42.6176.500000113.2Q1102 L1103 A1109 L1110Q1102-G1106 PolarHBondContact O-N 2.9Å; L1103-G1106 PolarHBondContact O-N 2.79Å; G1106-A1109 PolarHBondContact O-N 2.84Å; G1106-L1110 WeakPolarHBondContact O-CB 3.27Å; G1106-L1110 PolarHBondContact O-N 2.99Å
1107I80.7Confident76Confident94 Ų94105.5 Ų105.548%0.48252%0.522SS..Hα-helixtrans-65.8-41.8175.5-66.7169.1000111.1V1093 L1103 A1109 L1110 Y1111V1093-I1107 HydrophobicContact CG1-CG1 3.9Å; L1103-I1107 HydrophobicContact CD1-CD1 4.31Å; L1103-I1107 HydrophobicContact CG-CD1 3.99Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.5Å; L1103-I1107 PolarHBondContact O-N 3.47Å; I1107-A1109 VanDerWaalsContact C-N 3.33Å; I1107-A1109 PolarHBondContact O-N 3.13Å; I1107-L1110 PolarHBondContact O-N 3.06Å; I1107-Y1111 WeakPolarHBondContact O-CB 3.34Å; I1107-Y1111 PolarHBondContact O-N 2.92Å
1108L80.8Confident74.4Confident99 Ų99107.5 Ų107.552%0.51853%0.534SS..Hα-helixtrans-63.9-36.5175-77.4167.3000112.6K1104 A1105 K1112K1104-L1108 HydrophobicContact CG-CD1 4.23Å; K1104-L1108 WeakPolarHBondContact O-CB 3.45Å; K1104-L1108 WeakPolarHBondContact O-CG 3.44Å; K1104-L1108 PolarHBondContact O-N 3.12Å; K1104-L1108 VanDerWaalsContact O-N 3.11Å; A1105-L1108 PolarHBondContact O-N 3.16Å; L1108-K1112 PolarHBondContact O-N 3Å
1109A80.6Confident72.6Confident59 Ų59107.1 Ų107.149%0.48854%0.535SS..Hα-helixtrans-68.2-41173.900000111.9A1105 G1106 I1107 K1112 K1113A1105-A1109 WeakPolarHBondContact O-CB 3.47Å; A1105-A1109 PolarHBondContact O-N 2.96Å; G1106-A1109 PolarHBondContact O-N 2.84Å; I1107-A1109 VanDerWaalsContact C-N 3.33Å; I1107-A1109 PolarHBondContact O-N 3.13Å; A1109-K1112 PolarHBondContact O-N 2.8Å; A1109-K1113 VanDerWaalsContact O-CB 3.24Å; A1109-K1113 WeakPolarHBondContact O-CB 3.2Å; A1109-K1113 PolarHBondContact O-N 3.07Å
1110L81.3Confident70.7Confident38 Ų38106.4 Ų106.420%0.19955%0.546CS..Hα-helixtrans-64.2-43.7177-165.6155.6000111.2D1089 L1090 V1093 G1106 I1107 K1113 H1114D1089-L1110 HydrophobicContact CB-CD1 4.13Å; L1090-L1110 HydrophobicContact CB-CD1 4.22Å; V1093-L1110 HydrophobicContact CG2-CD1 4.26Å; G1106-L1110 WeakPolarHBondContact O-CB 3.27Å; G1106-L1110 PolarHBondContact O-N 2.99Å; I1107-L1110 PolarHBondContact O-N 3.06Å; L1110-K1113 PolarHBondContact O-N 2.77Å; L1110-H1114 PolarHBondContact O-N 3.2Å; L1110-H1114 VanDerWaalsContact O-N 3.15Å
1111Y75.4Confident68.8Low149 Ų149107.9 Ų107.958%0.58455%0.553SS**Hα-helixtrans-56.8-50.3174.7-174.1-89.8000111.7I1107 K1113 I1115I1107-Y1111 WeakPolarHBondContact O-CB 3.34Å; I1107-Y1111 PolarHBondContact O-N 2.92Å; Y1111-K1113 VanDerWaalsContact C-N 3.27Å; Y1111-K1113 PolarHBondContact O-N 3.39Å; Y1111-I1115 HydrophobicContact CD2-CD1 3.54Å; Y1111-I1115 HydrophobicContact CE1-CD1 4.46Å; Y1111-I1115 HydrophobicContact CE2-CD1 3.39Å; Y1111-I1115 HydrophobicContact CG-CD1 4.14Å; Y1111-I1115 WeakPolarHBondContact O-CB 3.34Å; Y1111-I1115 PolarHBondContact O-N 2.87Å
1112K77.3Confident66.7Low171 Ų171106.8 Ų106.874%0.74356%0.556SS**Hα-helixtrans-66.3-23177.4-75-173.6172.1-169.70114.8L1108 A1109L1108-K1112 PolarHBondContact O-N 3Å; A1109-K1112 PolarHBondContact O-N 2.8Å
1113K74.1Confident64.8Low89 Ų89106.8 Ų106.839%0.38757%0.572SS.*Hα-helixtrans-86.9-33.7-175.1-174.8-178-178.3-1730113D1089 A1109 L1110 Y1111D1089-K1113 IonicContact OD1-NZ 3.79Å; D1089-K1113 PolarHBondContact OD1-NZ 3.26Å; D1089-K1113 WeakPolarHBondContact OD2-CD 3.41Å; D1089-K1113 VanDerWaalsContact OD2-CE 3.27Å; D1089-K1113 WeakPolarHBondContact OD2-CE 3.42Å; D1089-K1113 IonicContact OD2-NZ 2.63Å; D1089-K1113 PolarHBondContact OD2-NZ 2.92Å; A1109-K1113 VanDerWaalsContact O-CB 3.24Å; A1109-K1113 WeakPolarHBondContact O-CB 3.2Å; A1109-K1113 PolarHBondContact O-N 3.07Å; L1110-K1113 PolarHBondContact O-N 2.77Å; Y1111-K1113 VanDerWaalsContact C-N 3.27Å; Y1111-K1113 PolarHBondContact O-N 3.39Å
1114H72.5Confident62.9Low47 Ų47109.7 Ų109.722%0.21859%0.591CS.*Hα-helixtrans-110-7.5-172.6-69.3-76.3000114.7L1086 D1089 L1110L1086-H1114 HydrophobicContact CD1-CB 4.17Å; D1089-H1114 IonicContact OD2-CD2 3.42Å; D1089-H1114 IonicContact OD2-CE1 3.96Å; D1089-H1114 PolarHBondContact OD2-CE1 3.13Å; D1089-H1114 IonicContact OD2-NE2 3.53Å; D1089-H1114 PolarHBondContact OD2-NE2 3.36Å; L1110-H1114 PolarHBondContact O-N 3.2Å; L1110-H1114 VanDerWaalsContact O-N 3.15Å
1115I64.8Low61.2Low86 Ų86106.5 Ų106.544%0.44159%0.593SS.*  trans-111.4124.2172.8-63.6166000108Y1111Y1111-I1115 HydrophobicContact CD2-CD1 3.54Å; Y1111-I1115 HydrophobicContact CE1-CD1 4.46Å; Y1111-I1115 HydrophobicContact CE2-CD1 3.39Å; Y1111-I1115 HydrophobicContact CG-CD1 4.14Å; Y1111-I1115 WeakPolarHBondContact O-CB 3.34Å; Y1111-I1115 PolarHBondContact O-N 2.87Å
1116H57.4Low59.7Low144 Ų144109.6 Ų109.667%0.66760%0.601SS**  trans-122.3141.5168.6-69.415.4000107.1D1118H1116-D1118 VanDerWaalsContact C-N 3.31Å; H1116-D1118 PolarHBondContact O-N 2.76Å; H1116-D1118 VanDerWaalsContact O-N 3.16Å
1117E50.1Low58.5Low190 Ų190110.8 Ų110.889%0.88861%0.609SS**THydrogen-bonded Turntrans-79.98.1-158.5-72-179.812900116.4
1118D43Very low57.5Low158 Ų158110.9 Ų110.985%0.84561%0.611SS**THydrogen-bonded Turntrans-95.76.8-169.6-73.5-37.1000116.5H1116 A1120H1116-D1118 VanDerWaalsContact C-N 3.31Å; H1116-D1118 PolarHBondContact O-N 2.76Å; H1116-D1118 VanDerWaalsContact O-N 3.16Å; D1118-A1120 VanDerWaalsContact C-N 3.34Å; D1118-A1120 PolarHBondContact O-N 2.83Å
1119M40.4Very low56.5Low177 Ų177110.8 Ų110.887%0.87261%0.61SS**  trans-86.360.7-177-71.7-77.2-81.300113.2
1120A40.1Very low55.7Low86 Ų86114.7 Ų114.771%0.71162%0.618SS**  trans-13420.8-170.300000116.8D1118D1118-A1120 VanDerWaalsContact C-N 3.34Å; D1118-A1120 PolarHBondContact O-N 2.83Å
1121V40.5Very low55.2Low133 Ų133119 Ų11981%0.80664%0.635SS**  trans-143.964.9172.4-162.80000112.9
1122D36.5Very low54.6Low163 Ų163117.8 Ų117.887%0.87264%0.635SS**  trans-128.975.5170.2-91.1-41.6000111.2
1123A39.6Very low54.2Low93 Ų93116.5 Ų116.577%0.76963%0.63SS**  trans-149.628.2179.700000114.3
1124T40.1Very low54.1Low105 Ų105118.5 Ų118.564%0.64464%0.638SS**  trans-14545.1174.5490000114D1126 A1127T1124-D1126 PolarHBondContact O-N 3.46Å; T1124-D1126 VanDerWaalsContact O-N 3.13Å; T1124-A1127 PolarHBondContact O-N 3.12Å; T1124-A1127 VanDerWaalsContact O-N 3.08Å
1125A46.6Very low54.3Low81 Ų81125.5 Ų125.567%0.66966%0.663SS**Hα-helixtrans-59.8-21.5-178.700000115.1A1127 I1129A1125-A1127 VanDerWaalsContact C-N 3.32Å; A1125-A1127 PolarHBondContact O-N 3.12Å; A1125-I1129 WeakPolarHBondContact O-CG1 3.44Å
1126D50.6Low54.5Low124 Ų124126.8 Ų126.866%0.66367%0.667SS**Hα-helixtrans-68.4-25.9174.3-86.8-40.2000113.8T1124 Q1130T1124-D1126 PolarHBondContact O-N 3.46Å; T1124-D1126 VanDerWaalsContact O-N 3.13Å; D1126-Q1130 WeakPolarHBondContact O-CB 3.41Å; D1126-Q1130 WeakPolarHBondContact O-CG 3.37Å; D1126-Q1130 PolarHBondContact O-N 3.03Å; D1126-Q1130 VanDerWaalsContact O-N 3.11Å
1127A56.8Low55.5Low40 Ų40126.5 Ų126.533%0.33166%0.66SS.*Hα-helixtrans-74-36.4-172.200000112.8T1124 A1125 K1131T1124-A1127 PolarHBondContact O-N 3.12Å; T1124-A1127 VanDerWaalsContact O-N 3.08Å; A1125-A1127 VanDerWaalsContact C-N 3.32Å; A1125-A1127 PolarHBondContact O-N 3.12Å; A1127-K1131 WeakPolarHBondContact O-CG 3.2Å; A1127-K1131 PolarHBondContact O-N 2.85Å; A1127-K1131 VanDerWaalsContact O-N 3.08Å
1128D58.3Low56.8Low97 Ų97121 Ų12152%0.51964%0.635SS.*Hα-helixtrans-84-31.4-179.5-70.9-29.3000112.2Q1130 K1131 E1132D1128-Q1130 VanDerWaalsContact C-N 3.31Å; D1128-Q1130 PolarHBondContact O-N 3.24Å; D1128-K1131 PolarHBondContact O-N 2.76Å; D1128-K1131 WeakPolarHBondContact OD1-CD 3.27Å; D1128-K1131 IonicContact OD1-NZ 2.73Å; D1128-K1131 PolarHBondContact OD1-NZ 3.2Å; D1128-E1132 WeakPolarHBondContact O-CB 3.33Å; D1128-E1132 PolarHBondContact O-N 3.22Å
1129I59.7Low58.4Low97 Ų97119.7 Ų119.750%0.49762%0.623SS.*Hα-helixtrans-59.3-43.6166.9-62.9172000110.2A1125 E1132 F1133A1125-I1129 WeakPolarHBondContact O-CG1 3.44Å; I1129-E1132 PolarHBondContact O-N 3.4Å; I1129-F1133 HydrophobicContact CG2-CD2 4.04Å; I1129-F1133 HydrophobicContact CG2-CE2 4.37Å; I1129-F1133 WeakPolarHBondContact O-CB 3.36Å; I1129-F1133 PolarHBondContact O-N 3.45Å
1130Q64.6Low59.8Low140 Ų140116.5 Ų116.565%0.65461%0.609SS**Hα-helixtrans-64.8-41.1174.7-77-173.87.400113.1D1126 D1128 F1134D1126-Q1130 WeakPolarHBondContact O-CB 3.41Å; D1126-Q1130 WeakPolarHBondContact O-CG 3.37Å; D1126-Q1130 PolarHBondContact O-N 3.03Å; D1126-Q1130 VanDerWaalsContact O-N 3.11Å; D1128-Q1130 VanDerWaalsContact C-N 3.31Å; D1128-Q1130 PolarHBondContact O-N 3.24Å; Q1130-F1134 WeakPolarHBondContact O-CB 3.47Å; Q1130-F1134 PolarHBondContact O-N 3.07Å
1131K70.9Confident61.6Low129 Ų129117 Ų11756%0.56160%0.597SS**Hα-helixtrans-65-37.7175.1-74.5176.4-157149.50112.5A1127 D1128 F1134 R1135A1127-K1131 WeakPolarHBondContact O-CG 3.2Å; A1127-K1131 PolarHBondContact O-N 2.85Å; A1127-K1131 VanDerWaalsContact O-N 3.08Å; D1128-K1131 PolarHBondContact O-N 2.76Å; D1128-K1131 WeakPolarHBondContact OD1-CD 3.27Å; D1128-K1131 IonicContact OD1-NZ 2.73Å; D1128-K1131 PolarHBondContact OD1-NZ 3.2Å; K1131-F1134 PolarHBondContact O-N 2.67Å; K1131-R1135 WeakPolarHBondContact O-CB 3.48Å; K1131-R1135 PolarHBondContact O-N 3.03Å
1132E63.5Low63.4Low124 Ų124118.5 Ų118.558%0.57959%0.588SS**Hα-helixtrans-72.2-41.2179.6-167.8156.5-13200111.2D1128 I1129 F1134 R1135 Q1136D1128-E1132 WeakPolarHBondContact O-CB 3.33Å; D1128-E1132 PolarHBondContact O-N 3.22Å; I1129-E1132 PolarHBondContact O-N 3.4Å; E1132-F1134 VanDerWaalsContact C-N 3.32Å; E1132-F1134 PolarHBondContact O-N 3.36Å; E1132-R1135 PolarHBondContact O-N 3.47Å; E1132-Q1136 WeakPolarHBondContact O-CG 3.32Å; E1132-Q1136 PolarHBondContact O-N 2.9Å
1133F69.2Low65.3Low144 Ų144113.1 Ų113.163%0.63256%0.563SS**Hα-helixtrans-57.5-43.1166.5-102.1-81.2000112.1I1129 Q1136 R1137I1129-F1133 HydrophobicContact CG2-CD2 4.04Å; I1129-F1133 HydrophobicContact CG2-CE2 4.37Å; I1129-F1133 WeakPolarHBondContact O-CB 3.36Å; I1129-F1133 PolarHBondContact O-N 3.45Å; F1133-Q1136 PolarHBondContact O-N 3.5Å; F1133-R1137 VanDerWaalsContact O-CB 3.28Å; F1133-R1137 WeakPolarHBondContact O-CB 3.04Å; F1133-R1137 PolarHBondContact O-N 3.04Å
1134F70.6Confident67Low130 Ų130112 Ų11257%0.5755%0.546SS*.Hα-helixtrans-64.7-40.4178.2-150.3-82.5000111.6Q1130 K1131 E1132 R1137 E1138Q1130-F1134 WeakPolarHBondContact O-CB 3.47Å; Q1130-F1134 PolarHBondContact O-N 3.07Å; K1131-F1134 PolarHBondContact O-N 2.67Å; E1132-F1134 VanDerWaalsContact C-N 3.32Å; E1132-F1134 PolarHBondContact O-N 3.36Å; F1134-R1137 PolarHBondContact O-N 3.45Å; F1134-E1138 WeakPolarHBondContact O-CB 3.33Å; F1134-E1138 PolarHBondContact O-N 3.18Å
1135R76.4Confident68.8Low195 Ų195109.7 Ų109.774%0.73654%0.538SS*.Hα-helixtrans-63.2-46173-96.7-177.2162.9-175.9-3.6112.8K1131 E1132 R1137 E1138 H1139K1131-R1135 WeakPolarHBondContact O-CB 3.48Å; K1131-R1135 PolarHBondContact O-N 3.03Å; E1132-R1135 PolarHBondContact O-N 3.47Å; R1135-R1137 VanDerWaalsContact C-N 3.35Å; R1135-E1138 PolarHBondContact O-N 3.35Å; R1135-H1139 WeakPolarHBondContact O-CB 3.29Å; R1135-H1139 PolarHBondContact O-N 3.43Å
1136Q70.4Confident70.3Confident112 Ų112107.6 Ų107.652%0.52352%0.524SS..Hα-helixtrans-64.7-40.9177.3-71.1-176.417.400111E1132 F1133 H1139 L1140E1132-Q1136 WeakPolarHBondContact O-CG 3.32Å; E1132-Q1136 PolarHBondContact O-N 2.9Å; F1133-Q1136 PolarHBondContact O-N 3.5Å; Q1136-H1139 PolarHBondContact O-N 3.35Å; Q1136-L1140 WeakPolarHBondContact O-CB 3.28Å; Q1136-L1140 WeakPolarHBondContact O-CG 3.44Å; Q1136-L1140 PolarHBondContact O-N 3.46Å
1137R77.1Confident71.4Confident138 Ų138107.3 Ų107.352%0.52152%0.522SS..Hα-helixtrans-63-45.3175-153.1-171.297.4-171.34.6111.6F1133 F1134 R1135 L1140 E1141F1133-R1137 VanDerWaalsContact O-CB 3.28Å; F1133-R1137 WeakPolarHBondContact O-CB 3.04Å; F1133-R1137 PolarHBondContact O-N 3.04Å; F1134-R1137 PolarHBondContact O-N 3.45Å; R1135-R1137 VanDerWaalsContact C-N 3.35Å; R1137-L1140 PolarHBondContact O-N 2.88Å; R1137-E1141 IonicContact CZ-OE1 3.45Å; R1137-E1141 VanDerWaalsContact CZ-OE1 3.22Å; R1137-E1141 IonicContact NE-OE1 3.27Å; R1137-E1141 PolarHBondContact NE-OE1 2.84Å; R1137-E1141 IonicContact NH2-OE1 3.9Å; R1137-E1141 PolarHBondContact NH2-OE1 3.26Å; R1137-E1141 IonicContact NH2-OE2 2.75Å; R1137-E1141 WeakPolarHBondContact O-CB 3.33Å; R1137-E1141 VanDerWaalsContact O-CG 3.32Å; R1137-E1141 WeakPolarHBondContact O-CG 3.49Å; R1137-E1141 PolarHBondContact O-N 2.92Å
1138E76.9Confident72.2Confident76 Ų76114.1 Ų114.136%0.35554%0.539SS..Hα-helixtrans-66.3-37.4177.5-165.3-176.2-16900112F1134 R1135 R1142F1134-E1138 WeakPolarHBondContact O-CB 3.33Å; F1134-E1138 PolarHBondContact O-N 3.18Å; R1135-E1138 PolarHBondContact O-N 3.35Å; E1138-R1142 WeakPolarHBondContact O-CB 3.49Å; E1138-R1142 WeakPolarHBondContact O-CG 3.3Å; E1138-R1142 PolarHBondContact O-N 3.12Å; E1138-R1142 IonicContact OE1-CZ 3.16Å; E1138-R1142 VanDerWaalsContact OE1-CZ 3.31Å; E1138-R1142 IonicContact OE1-NE 3.86Å; E1138-R1142 PolarHBondContact OE1-NE 3.42Å; E1138-R1142 IonicContact OE1-NH2 2.69Å; E1138-R1142 PolarHBondContact OE1-NH2 3.4Å; E1138-R1142 IonicContact OE2-NH2 2.74Å
1139H76.6Confident73.1Confident129 Ų129115 Ų11560%0.59754%0.54SS*.Hα-helixtrans-64-42.6173.5-176-82.7000112R1135 Q1136 S1143R1135-H1139 WeakPolarHBondContact O-CB 3.29Å; R1135-H1139 PolarHBondContact O-N 3.43Å; Q1136-H1139 PolarHBondContact O-N 3.35Å; H1139-S1143 VanDerWaalsContact O-CB 3.3Å; H1139-S1143 WeakPolarHBondContact O-CB 3.47Å; H1139-S1143 PolarHBondContact O-N 3.19Å; H1139-S1143 PolarHBondContact O-OG 3.3Å
1140L71.5Confident74Confident110 Ų110116.3 Ų116.358%0.57654%0.542SS*.Hα-helixtrans-67.5-44.5175.3-75.8167.4000111.8Q1136 R1137 R1142 S1143 V1144Q1136-L1140 WeakPolarHBondContact O-CB 3.28Å; Q1136-L1140 WeakPolarHBondContact O-CG 3.44Å; Q1136-L1140 PolarHBondContact O-N 3.46Å; R1137-L1140 PolarHBondContact O-N 2.88Å; L1140-R1142 PolarHBondContact O-N 3.29Å; L1140-S1143 PolarHBondContact O-N 3.48Å; L1140-V1144 WeakPolarHBondContact O-CB 3.47Å; L1140-V1144 VanDerWaalsContact O-CG2 3.29Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.43Å; L1140-V1144 PolarHBondContact O-N 3Å
1141E76.9Confident74.7Confident97 Ų97115.4 Ų115.445%0.45354%0.541SS..Hα-helixtrans-59.1-45175-77.4175.4-167.800111.3R1137 A1145R1137-E1141 IonicContact CZ-OE1 3.45Å; R1137-E1141 VanDerWaalsContact CZ-OE1 3.22Å; R1137-E1141 IonicContact NE-OE1 3.27Å; R1137-E1141 PolarHBondContact NE-OE1 2.84Å; R1137-E1141 IonicContact NH2-OE1 3.9Å; R1137-E1141 PolarHBondContact NH2-OE1 3.26Å; R1137-E1141 IonicContact NH2-OE2 2.75Å; R1137-E1141 WeakPolarHBondContact O-CB 3.33Å; R1137-E1141 VanDerWaalsContact O-CG 3.32Å; R1137-E1141 WeakPolarHBondContact O-CG 3.49Å; R1137-E1141 PolarHBondContact O-N 2.92Å; E1141-A1145 WeakPolarHBondContact O-CB 3.37Å; E1141-A1145 PolarHBondContact O-N 2.99Å
1142R78Confident75Confident165 Ų165111.9 Ų111.962%0.62354%0.536SS*.Hα-helixtrans-65.3-39.1175.1-71.5174.1-176.1-162.14.7112.4E1138 L1140 G1146E1138-R1142 WeakPolarHBondContact O-CB 3.49Å; E1138-R1142 WeakPolarHBondContact O-CG 3.3Å; E1138-R1142 PolarHBondContact O-N 3.12Å; E1138-R1142 IonicContact OE1-CZ 3.16Å; E1138-R1142 VanDerWaalsContact OE1-CZ 3.31Å; E1138-R1142 IonicContact OE1-NE 3.86Å; E1138-R1142 PolarHBondContact OE1-NE 3.42Å; E1138-R1142 IonicContact OE1-NH2 2.69Å; E1138-R1142 PolarHBondContact OE1-NH2 3.4Å; E1138-R1142 IonicContact OE2-NH2 2.74Å; L1140-R1142 PolarHBondContact O-N 3.29Å; R1142-G1146 PolarHBondContact O-N 2.56Å
1143S77.3Confident75.7Confident49 Ų49111 Ų11134%0.34353%0.528SS..Hα-helixtrans-68.2-43.8177.5-61.50000112.1H1139 L1140 G1146 L1147H1139-S1143 VanDerWaalsContact O-CB 3.3Å; H1139-S1143 WeakPolarHBondContact O-CB 3.47Å; H1139-S1143 PolarHBondContact O-N 3.19Å; H1139-S1143 PolarHBondContact O-OG 3.3Å; L1140-S1143 PolarHBondContact O-N 3.48Å; S1143-G1146 PolarHBondContact O-N 2.65Å; S1143-L1147 WeakPolarHBondContact O-CG 3.43Å; S1143-L1147 PolarHBondContact O-N 3Å
1144V74.8Confident76.1Confident69 Ų69107.4 Ų107.442%0.41852%0.515SS..Hα-helixtrans-66.7-38.5175.3171.60000111.1L1140 L1147 R1148L1140-V1144 WeakPolarHBondContact O-CB 3.47Å; L1140-V1144 VanDerWaalsContact O-CG2 3.29Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.43Å; L1140-V1144 PolarHBondContact O-N 3Å; V1144-L1147 PolarHBondContact O-N 3.38Å; V1144-R1148 HydrophobicContact CG1-CG 4.46Å; V1144-R1148 WeakPolarHBondContact O-CB 3.47Å; V1144-R1148 WeakPolarHBondContact O-CG 3.31Å; V1144-R1148 PolarHBondContact O-N 3.46Å
1145A77.9Confident76.4Confident57 Ų57104.5 Ų104.547%0.47151%0.511SS..Hα-helixtrans-62.9-43172.200000111.6E1141 R1148 Q1149E1141-A1145 WeakPolarHBondContact O-CB 3.37Å; E1141-A1145 PolarHBondContact O-N 2.99Å; A1145-R1148 PolarHBondContact O-N 3.2Å; A1145-Q1149 WeakPolarHBondContact O-CB 3.43Å; A1145-Q1149 PolarHBondContact O-N 2.8Å
1146G78.5Confident76.5Confident37 Ų37101.8 Ų101.838%0.38151%0.507SS..Hα-helixtrans-60.4-46.417400000112.8R1142 S1143 Q1149 K1150R1142-G1146 PolarHBondContact O-N 2.56Å; S1143-G1146 PolarHBondContact O-N 2.65Å; G1146-Q1149 PolarHBondContact O-N 3.41Å; G1146-K1150 WeakPolarHBondContact O-CB 3.34Å; G1146-K1150 PolarHBondContact O-N 3.45Å
1147L74.1Confident76.8Confident118 Ų118101.8 Ų101.862%0.61851%0.508SS*.Hα-helixtrans-64-43176-73.7170.2000112.2S1143 V1144 Q1149 K1150 L1151S1143-L1147 WeakPolarHBondContact O-CG 3.43Å; S1143-L1147 PolarHBondContact O-N 3Å; V1144-L1147 PolarHBondContact O-N 3.38Å; L1147-Q1149 PolarHBondContact O-N 2.87Å; L1147-K1150 PolarHBondContact O-N 3.12Å; L1147-L1151 WeakPolarHBondContact O-CB 3.29Å; L1147-L1151 PolarHBondContact O-N 2.82Å
1148R74Confident76.8Confident183 Ų183101.7 Ų101.769%0.69151%0.513SS*.Hα-helixtrans-62-41.1174.3-77.1179.7176.1-168.7-0.3112.2V1144 A1145 K1150 L1151 A1152V1144-R1148 HydrophobicContact CG1-CG 4.46Å; V1144-R1148 WeakPolarHBondContact O-CB 3.47Å; V1144-R1148 WeakPolarHBondContact O-CG 3.31Å; V1144-R1148 PolarHBondContact O-N 3.46Å; A1145-R1148 PolarHBondContact O-N 3.2Å; R1148-K1150 VanDerWaalsContact C-N 3.29Å; R1148-K1150 PolarHBondContact O-N 3.03Å; R1148-L1151 PolarHBondContact O-N 3.28Å; R1148-A1152 WeakPolarHBondContact O-CB 3.32Å; R1148-A1152 PolarHBondContact O-N 3.41Å
1149Q76.9Confident76.9Confident117 Ų117107.3 Ų107.355%0.54753%0.531SS..Hα-helixtrans-72.2-24.3177.8-155.9-165.75000112.6A1145 G1146 L1147 R1153A1145-Q1149 WeakPolarHBondContact O-CB 3.43Å; A1145-Q1149 PolarHBondContact O-N 2.8Å; G1146-Q1149 PolarHBondContact O-N 3.41Å; L1147-Q1149 PolarHBondContact O-N 2.87Å; Q1149-R1153 PolarHBondContact O-N 2.92Å; Q1149-R1153 PolarHBondContact O-NE 2.96Å
1150K78.9Confident77Confident123 Ų123104.2 Ų104.254%0.53552%0.524SS..Hα-helixtrans-75.6-49.5171.2-159.1179.6-179.6-170.10110.8G1146 L1147 R1148 A1152 R1153 D1154G1146-K1150 WeakPolarHBondContact O-CB 3.34Å; G1146-K1150 PolarHBondContact O-N 3.45Å; L1147-K1150 PolarHBondContact O-N 3.12Å; R1148-K1150 VanDerWaalsContact C-N 3.29Å; R1148-K1150 PolarHBondContact O-N 3.03Å; K1150-A1152 VanDerWaalsContact C-N 3.29Å; K1150-A1152 PolarHBondContact O-N 3.02Å; K1150-R1153 PolarHBondContact O-N 3.32Å; K1150-D1154 VanDerWaalsContact O-CG 3.32Å; K1150-D1154 PolarHBondContact O-N 3.5Å
1151L77.5Confident77.3Confident121 Ų121101.5 Ų101.563%0.63451%0.51SS*.Hα-helixtrans-54.9-42.1173.9-169.984.1000112.5L1147 R1148 S1155L1147-L1151 WeakPolarHBondContact O-CB 3.29Å; L1147-L1151 PolarHBondContact O-N 2.82Å; R1148-L1151 PolarHBondContact O-N 3.28Å; L1151-S1155 VanDerWaalsContact O-CB 3.28Å; L1151-S1155 WeakPolarHBondContact O-CB 3.49Å; L1151-S1155 PolarHBondContact O-N 3.42Å; L1151-S1155 PolarHBondContact O-OG 3.44Å
1152A77.8Confident77.4Confident56 Ų56104.8 Ų104.846%0.46352%0.52SS..Hα-helixtrans-62.9-46175.100000112R1148 K1150 S1155 E1156R1148-A1152 WeakPolarHBondContact O-CB 3.32Å; R1148-A1152 PolarHBondContact O-N 3.41Å; K1150-A1152 VanDerWaalsContact C-N 3.29Å; K1150-A1152 PolarHBondContact O-N 3.02Å; A1152-S1155 PolarHBondContact O-N 2.85Å; A1152-E1156 WeakPolarHBondContact O-CB 3.49Å; A1152-E1156 PolarHBondContact O-N 2.87Å
1153R78.8Confident77.5Confident104 Ų104100.1 Ų100.139%0.39251%0.509SS..Hα-helixtrans-64.5-42.3176.5-84.4-177.3-89.3162.9-15.7112.6Q1149 K1150 S1155 E1156 M1157Q1149-R1153 PolarHBondContact O-N 2.92Å; Q1149-R1153 PolarHBondContact O-NE 2.96Å; K1150-R1153 PolarHBondContact O-N 3.32Å; R1153-S1155 VanDerWaalsContact C-N 3.33Å; R1153-E1156 PolarHBondContact O-N 2.85Å; R1153-M1157 WeakPolarHBondContact O-CG 3.43Å; R1153-M1157 PolarHBondContact O-N 2.86Å
1154D76.5Confident77.9Confident69 Ų69103 Ų10337%0.36951%0.513SS..Hα-helixtrans-67.2-37.5178.3-63.7-19.9000110.5K1150 M1157 H1158K1150-D1154 VanDerWaalsContact O-CG 3.32Å; K1150-D1154 PolarHBondContact O-N 3.5Å; D1154-M1157 PolarHBondContact O-N 2.95Å; D1154-H1158 WeakPolarHBondContact O-CB 3.37Å; D1154-H1158 PolarHBondContact O-CD2 3.13Å; D1154-H1158 PolarHBondContact O-N 2.65Å
1155S76.9Confident78.3Confident69 Ų69103.8 Ų103.848%0.48351%0.513SS..Hα-helixtrans-66.4-36.3173.2-58.70000112.7L1151 A1152 R1153 R1159L1151-S1155 VanDerWaalsContact O-CB 3.28Å; L1151-S1155 WeakPolarHBondContact O-CB 3.49Å; L1151-S1155 PolarHBondContact O-N 3.42Å; L1151-S1155 PolarHBondContact O-OG 3.44Å; A1152-S1155 PolarHBondContact O-N 2.85Å; R1153-S1155 VanDerWaalsContact C-N 3.33Å; S1155-R1159 WeakPolarHBondContact O-CB 3.22Å; S1155-R1159 PolarHBondContact O-N 2.62Å
1156E78.4Confident78.4Confident139 Ų139106.4 Ų106.465%0.6552%0.517SS*.Hα-helixtrans-74.3-37.1177.6-164.3163-136.600111.7A1152 R1153 R1159 S1160A1152-E1156 WeakPolarHBondContact O-CB 3.49Å; A1152-E1156 PolarHBondContact O-N 2.87Å; R1153-E1156 PolarHBondContact O-N 2.85Å; E1156-R1159 PolarHBondContact O-N 2.91Å; E1156-S1160 PolarHBondContact O-N 3.26Å
1157M77.2Confident78.5Confident112 Ų112110.6 Ų110.655%0.55253%0.527SS*.Hα-helixtrans-62.4-51.2168.4-71.1-149.4-46.500111.2R1153 D1154 R1159 S1160 D1161R1153-M1157 WeakPolarHBondContact O-CG 3.43Å; R1153-M1157 PolarHBondContact O-N 2.86Å; D1154-M1157 PolarHBondContact O-N 2.95Å; M1157-R1159 PolarHBondContact O-N 2.91Å; M1157-S1160 CarbonylContact O-C 3.6Å; M1157-S1160 PolarHBondContact O-N 3.22Å; M1157-S1160 PolarHBondContact O-OG 2.92Å; M1157-D1161 WeakPolarHBondContact O-CB 3.26Å; M1157-D1161 PolarHBondContact O-N 2.84Å
1158H76.6Confident78.9Confident136 Ų136109.4 Ų109.463%0.6352%0.518SS*.Hα-helixtrans-57.2-36.4176-84.8-62.2000112.3D1154 Y1162D1154-H1158 WeakPolarHBondContact O-CB 3.37Å; D1154-H1158 PolarHBondContact O-CD2 3.13Å; D1154-H1158 PolarHBondContact O-N 2.65Å; H1158-Y1162 WeakPolarHBondContact O-CB 3.33Å; H1158-Y1162 PolarHBondContact O-N 2.85Å
1159R79.6Confident79.2Confident193 Ų193104.6 Ų104.673%0.72851%0.506SS*.Hα-helixtrans-68.3-40.4174-169.4175.7-176.2133.21112.3S1155 E1156 M1157 V1163S1155-R1159 WeakPolarHBondContact O-CB 3.22Å; S1155-R1159 PolarHBondContact O-N 2.62Å; E1156-R1159 PolarHBondContact O-N 2.91Å; M1157-R1159 PolarHBondContact O-N 2.91Å; R1159-V1163 WeakPolarHBondContact O-CB 3.05Å; R1159-V1163 VanDerWaalsContact O-CG2 3.27Å; R1159-V1163 WeakPolarHBondContact O-CG2 3.48Å; R1159-V1163 PolarHBondContact O-N 3.48Å
1160S79.1Confident79.5Confident65 Ų65102.5 Ų102.546%0.45550%0.501SS..Hα-helixtrans-69-38.5176.674.70000112.6E1156 M1157 V1163 R1164E1156-S1160 PolarHBondContact O-N 3.26Å; M1157-S1160 CarbonylContact O-C 3.6Å; M1157-S1160 PolarHBondContact O-N 3.22Å; M1157-S1160 PolarHBondContact O-OG 2.92Å; S1160-V1163 PolarHBondContact O-N 3.33Å; S1160-R1164 WeakPolarHBondContact O-CB 3.45Å; S1160-R1164 PolarHBondContact O-N 2.8Å
1161D77.9Confident79.7Confident53 Ų53100.1 Ų100.128%0.28350%0.497SS..Hα-helixtrans-66.3-43.6174-74.6-23.7000110.9M1157 V1163 R1164 I1165M1157-D1161 WeakPolarHBondContact O-CB 3.26Å; M1157-D1161 PolarHBondContact O-N 2.84Å; D1161-V1163 PolarHBondContact O-N 3.33Å; D1161-R1164 PolarHBondContact O-N 2.87Å; D1161-R1164 IonicContact OD1-CZ 3.76Å; D1161-R1164 IonicContact OD1-NH1 3.97Å; D1161-R1164 PolarHBondContact OD1-NH1 2.61Å; D1161-R1164 IonicContact OD1-NH2 3.94Å; D1161-R1164 PolarHBondContact OD1-NH2 2.71Å; D1161-I1165 WeakPolarHBondContact O-CB 2.96Å; D1161-I1165 VanDerWaalsContact O-CG1 3.29Å; D1161-I1165 WeakPolarHBondContact O-CG1 3.46Å; D1161-I1165 PolarHBondContact O-N 3.25Å
1162Y77.8Confident79.9Confident166 Ų16698.5 Ų98.565%0.65149%0.489SS*.Hα-helixtrans-63.1-41.1175.2-171.2-87.7000111.9H1158 M1166H1158-Y1162 WeakPolarHBondContact O-CB 3.33Å; H1158-Y1162 PolarHBondContact O-N 2.85Å; Y1162-M1166 HydrophobicContact CE1-SD 4.42Å; Y1162-M1166 WeakPolarHBondContact O-CB 3.34Å; Y1162-M1166 PolarHBondContact O-N 2.67Å
1163V81.5Confident80.2Confident67 Ų67100.4 Ų100.441%0.40649%0.49SS..Hα-helixtrans-66.2-40.2174.6169.70000111.4R1159 S1160 D1161 M1166 Q1167R1159-V1163 WeakPolarHBondContact O-CB 3.05Å; R1159-V1163 VanDerWaalsContact O-CG2 3.27Å; R1159-V1163 WeakPolarHBondContact O-CG2 3.48Å; R1159-V1163 PolarHBondContact O-N 3.48Å; S1160-V1163 PolarHBondContact O-N 3.33Å; D1161-V1163 PolarHBondContact O-N 3.33Å; V1163-M1166 PolarHBondContact O-N 3.07Å; V1163-Q1167 WeakPolarHBondContact O-CB 3.33Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.48Å; V1163-Q1167 PolarHBondContact O-N 3.21Å
1164R85.2Confident80.5Confident110 Ų110101.1 Ų101.142%0.41550%0.498SS..Hα-helixtrans-62.5-49.9175-176.9-179.764.9-105.4-4.3111.4S1160 D1161 M1166 Q1167 E1168S1160-R1164 WeakPolarHBondContact O-CB 3.45Å; S1160-R1164 PolarHBondContact O-N 2.8Å; D1161-R1164 PolarHBondContact O-N 2.87Å; D1161-R1164 IonicContact OD1-CZ 3.76Å; D1161-R1164 IonicContact OD1-NH1 3.97Å; D1161-R1164 PolarHBondContact OD1-NH1 2.61Å; D1161-R1164 IonicContact OD1-NH2 3.94Å; D1161-R1164 PolarHBondContact OD1-NH2 2.71Å; R1164-M1166 VanDerWaalsContact C-N 3.26Å; R1164-M1166 PolarHBondContact O-N 2.73Å; R1164-Q1167 WeakPolarHBondContact O-CB 3.41Å; R1164-Q1167 PolarHBondContact O-N 3.02Å; R1164-Q1167 VanDerWaalsContact O-N 3.09Å; R1164-E1168 HydrophobicContact CG-CG 4.47Å; R1164-E1168 WeakPolarHBondContact CG-OE1 3.48Å; R1164-E1168 IonicContact NE-OE1 2.89Å; R1164-E1168 WeakPolarHBondContact O-CG 3.22Å; R1164-E1168 PolarHBondContact O-N 2.84Å
1165I82.6Confident80.8Confident84 Ų84103.5 Ų103.543%0.43151%0.507SS..Hα-helixtrans-61.8-36.4177-67.7165.5000110.7D1161 N1169D1161-I1165 WeakPolarHBondContact O-CB 2.96Å; D1161-I1165 VanDerWaalsContact O-CG1 3.29Å; D1161-I1165 WeakPolarHBondContact O-CG1 3.46Å; D1161-I1165 PolarHBondContact O-N 3.25Å; I1165-N1169 VanDerWaalsContact O-CB 3.27Å; I1165-N1169 WeakPolarHBondContact O-CB 3.33Å; I1165-N1169 PolarHBondContact O-N 3.22Å; I1165-N1169 PolarHBondContact O-ND2 2.94Å
1166M79.4Confident81.2Confident112 Ų112104.1 Ų104.155%0.55250%0.504SS*.Hα-helixtrans-67.6-37.4174.6-170175.7-175.100112.2Y1162 V1163 R1164 V1170Y1162-M1166 HydrophobicContact CE1-SD 4.42Å; Y1162-M1166 WeakPolarHBondContact O-CB 3.34Å; Y1162-M1166 PolarHBondContact O-N 2.67Å; V1163-M1166 PolarHBondContact O-N 3.07Å; R1164-M1166 VanDerWaalsContact C-N 3.26Å; R1164-M1166 PolarHBondContact O-N 2.73Å; M1166-V1170 WeakPolarHBondContact O-CB 3.39Å; M1166-V1170 VanDerWaalsContact O-CG2 3.27Å; M1166-V1170 WeakPolarHBondContact O-CG2 3.38Å; M1166-V1170 PolarHBondContact O-N 2.85Å
1167Q80.6Confident81.4Confident125 Ų125101.2 Ų101.258%0.58449%0.493SS*.Hα-helixtrans-68.3-45.2173.5-75.7175.5-18.400111.8V1163 R1164 N1169 V1170 T1171V1163-Q1167 WeakPolarHBondContact O-CB 3.33Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.48Å; V1163-Q1167 PolarHBondContact O-N 3.21Å; R1164-Q1167 WeakPolarHBondContact O-CB 3.41Å; R1164-Q1167 PolarHBondContact O-N 3.02Å; R1164-Q1167 VanDerWaalsContact O-N 3.09Å; Q1167-N1169 VanDerWaalsContact C-N 3.33Å; Q1167-N1169 PolarHBondContact O-N 3.44Å; Q1167-V1170 PolarHBondContact O-N 2.94Å; Q1167-V1170 VanDerWaalsContact O-N 3.14Å; Q1167-T1171 PolarHBondContact O-N 2.83Å; Q1167-T1171 PolarHBondContact O-OG1 3.12Å; Q1167-T1171 VanDerWaalsContact O-OG1 3.08Å
1168E82.9Confident81.8Confident94 Ų94101 Ų10144%0.43949%0.494SS..Hα-helixtrans-57.6-45.3173.8-73.8169.6-173.600110.8R1164 V1170 T1171 L1172R1164-E1168 HydrophobicContact CG-CG 4.47Å; R1164-E1168 WeakPolarHBondContact CG-OE1 3.48Å; R1164-E1168 IonicContact NE-OE1 2.89Å; R1164-E1168 WeakPolarHBondContact O-CG 3.22Å; R1164-E1168 PolarHBondContact O-N 2.84Å; E1168-V1170 PolarHBondContact O-N 3.29Å; E1168-T1171 WeakPolarHBondContact CA-OG1 3.42Å; E1168-T1171 PolarHBondContact O-N 3.35Å; E1168-T1171 PolarHBondContact O-OG1 3.2Å; E1168-L1172 WeakPolarHBondContact O-CB 3.5Å; E1168-L1172 VanDerWaalsContact O-CG 3.24Å; E1168-L1172 WeakPolarHBondContact O-CG 2.92Å; E1168-L1172 PolarHBondContact O-N 2.91Å
1169N80.2Confident82.1Confident82 Ų8299.4 Ų99.444%0.43949%0.489SS..Hα-helixtrans-64.4-38.1174.6-74.9-22.4000112.8I1165 Q1167 L1172 I1173I1165-N1169 VanDerWaalsContact O-CB 3.27Å; I1165-N1169 WeakPolarHBondContact O-CB 3.33Å; I1165-N1169 PolarHBondContact O-N 3.22Å; I1165-N1169 PolarHBondContact O-ND2 2.94Å; Q1167-N1169 VanDerWaalsContact C-N 3.33Å; Q1167-N1169 PolarHBondContact O-N 3.44Å; N1169-L1172 PolarHBondContact O-N 3.39Å; N1169-I1173 WeakPolarHBondContact O-CB 3.31Å; N1169-I1173 WeakPolarHBondContact O-CD1 3.41Å; N1169-I1173 WeakPolarHBondContact O-CG1 3.48Å; N1169-I1173 PolarHBondContact O-N 3.03Å
1170V84.2Confident82.3Confident72 Ų7297.8 Ų97.844%0.43648%0.483SS..Hα-helixtrans-67-40.7175.1166.20000111.4M1166 Q1167 E1168 I1173 Q1174M1166-V1170 WeakPolarHBondContact O-CB 3.39Å; M1166-V1170 VanDerWaalsContact O-CG2 3.27Å; M1166-V1170 WeakPolarHBondContact O-CG2 3.38Å; M1166-V1170 PolarHBondContact O-N 2.85Å; Q1167-V1170 PolarHBondContact O-N 2.94Å; Q1167-V1170 VanDerWaalsContact O-N 3.14Å; E1168-V1170 PolarHBondContact O-N 3.29Å; V1170-I1173 PolarHBondContact O-N 2.77Å; V1170-Q1174 WeakPolarHBondContact O-CG 3.32Å; V1170-Q1174 PolarHBondContact O-N 3.02Å
1171T82.7Confident82.5Confident74 Ų7497.7 Ų97.745%0.45448%0.482SS..Hα-helixtrans-67.5-40.2175.246.80000111.9Q1167 E1168 I1173 Q1174 E1175Q1167-T1171 PolarHBondContact O-N 2.83Å; Q1167-T1171 PolarHBondContact O-OG1 3.12Å; Q1167-T1171 VanDerWaalsContact O-OG1 3.08Å; E1168-T1171 WeakPolarHBondContact CA-OG1 3.42Å; E1168-T1171 PolarHBondContact O-N 3.35Å; E1168-T1171 PolarHBondContact O-OG1 3.2Å; T1171-I1173 VanDerWaalsContact C-N 3.35Å; T1171-I1173 PolarHBondContact O-N 3.12Å; T1171-Q1174 PolarHBondContact O-N 2.96Å; T1171-E1175 PolarHBondContact O-N 2.84Å
1172L82.4Confident82.7Confident86 Ų86100.8 Ų100.845%0.4550%0.495SS..Hα-helixtrans-65.2-36.7174-73.1168.5000112E1168 N1169 E1175 I1176E1168-L1172 WeakPolarHBondContact O-CB 3.5Å; E1168-L1172 VanDerWaalsContact O-CG 3.24Å; E1168-L1172 WeakPolarHBondContact O-CG 2.92Å; E1168-L1172 PolarHBondContact O-N 2.91Å; N1169-L1172 PolarHBondContact O-N 3.39Å; L1172-E1175 PolarHBondContact O-N 2.88Å; L1172-I1176 WeakPolarHBondContact O-CB 3.45Å; L1172-I1176 WeakPolarHBondContact O-CD1 3.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.18Å; L1172-I1176 PolarHBondContact O-N 3.49Å
1173I83.7Confident83Confident97 Ų9797.1 Ų97.150%0.49749%0.487SS..Hα-helixtrans-65.7-41.1172.6-72.4163.8000110.6N1169 V1170 T1171 I1176 D1177N1169-I1173 WeakPolarHBondContact O-CB 3.31Å; N1169-I1173 WeakPolarHBondContact O-CD1 3.41Å; N1169-I1173 WeakPolarHBondContact O-CG1 3.48Å; N1169-I1173 PolarHBondContact O-N 3.03Å; V1170-I1173 PolarHBondContact O-N 2.77Å; T1171-I1173 VanDerWaalsContact C-N 3.35Å; T1171-I1173 PolarHBondContact O-N 3.12Å; I1173-I1176 PolarHBondContact O-N 2.81Å; I1173-D1177 WeakPolarHBondContact O-CB 3.42Å; I1173-D1177 PolarHBondContact O-N 2.86Å
1174Q83.9Confident83Confident119 Ų119100.8 Ų100.856%0.55650%0.497SS*.Hα-helixtrans-64.5-40.5174-76-178.4-20.500112.5V1170 T1171 D1177 N1178V1170-Q1174 WeakPolarHBondContact O-CG 3.32Å; V1170-Q1174 PolarHBondContact O-N 3.02Å; T1171-Q1174 PolarHBondContact O-N 2.96Å; Q1174-D1177 PolarHBondContact O-N 2.72Å; Q1174-N1178 VanDerWaalsContact O-CB 3.28Å; Q1174-N1178 WeakPolarHBondContact O-CB 3.17Å; Q1174-N1178 PolarHBondContact O-N 2.94Å; Q1174-N1178 PolarHBondContact O-ND2 2.74Å
1175E84.4Confident82.8Confident119 Ų119100.9 Ų100.956%0.55651%0.505SS*.Hα-helixtrans-63.2-43.9171.9-76-173.1158.100111.5T1171 L1172 D1177 N1178 L1179T1171-E1175 PolarHBondContact O-N 2.84Å; L1172-E1175 PolarHBondContact O-N 2.88Å; E1175-D1177 PolarHBondContact O-N 3.36Å; E1175-N1178 PolarHBondContact O-N 2.98Å; E1175-L1179 VanDerWaalsContact O-CB 3.3Å; E1175-L1179 WeakPolarHBondContact O-CB 3.44Å; E1175-L1179 VanDerWaalsContact O-CG 3.22Å; E1175-L1179 WeakPolarHBondContact O-CG 3.4Å; E1175-L1179 PolarHBondContact O-N 3.07Å
1176I84.7Confident82.6Confident81 Ų81100 Ų10042%0.41551%0.507SS..Hα-helixtrans-62.5-41.4176.5-73.7165.5000111.3L1172 I1173 R1180L1172-I1176 WeakPolarHBondContact O-CB 3.45Å; L1172-I1176 WeakPolarHBondContact O-CD1 3.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.18Å; L1172-I1176 PolarHBondContact O-N 3.49Å; I1173-I1176 PolarHBondContact O-N 2.81Å; I1176-R1180 WeakPolarHBondContact O-CB 2.94Å; I1176-R1180 WeakPolarHBondContact O-CD 3.32Å; I1176-R1180 WeakPolarHBondContact O-CG 3.45Å; I1176-R1180 PolarHBondContact O-N 2.8Å
1177D83.4Confident82.6Confident79 Ų79102.9 Ų102.942%0.42251%0.511SS..Hα-helixtrans-75-32.3178.5-78.2-18.7000112.6I1173 Q1174 E1175 R1180 S1181I1173-D1177 WeakPolarHBondContact O-CB 3.42Å; I1173-D1177 PolarHBondContact O-N 2.86Å; Q1174-D1177 PolarHBondContact O-N 2.72Å; E1175-D1177 PolarHBondContact O-N 3.36Å; D1177-R1180 PolarHBondContact O-N 3.42Å; D1177-R1180 VanDerWaalsContact OD1-CD 3.3Å; D1177-R1180 WeakPolarHBondContact OD1-CD 3.44Å; D1177-R1180 IonicContact OD1-CZ 3.8Å; D1177-R1180 IonicContact OD1-NE 2.82Å; D1177-R1180 IonicContact OD1-NH1 3.31Å; D1177-R1180 PolarHBondContact OD1-NH1 3.13Å; D1177-S1181 WeakPolarHBondContact O-CB 3.02Å; D1177-S1181 PolarHBondContact O-N 3.21Å
1178N84.2Confident82.6Confident106 Ų106101.2 Ų101.257%0.56751%0.506SS*.Hα-helixtrans-63.3-49.4167.7-76.4-21.4000110.9Q1174 E1175 R1180 S1181 E1182Q1174-N1178 VanDerWaalsContact O-CB 3.28Å; Q1174-N1178 WeakPolarHBondContact O-CB 3.17Å; Q1174-N1178 PolarHBondContact O-N 2.94Å; Q1174-N1178 PolarHBondContact O-ND2 2.74Å; E1175-N1178 PolarHBondContact O-N 2.98Å; N1178-R1180 VanDerWaalsContact C-N 3.3Å; N1178-R1180 PolarHBondContact O-N 3Å; N1178-S1181 CarbonylContact O-C 3.52Å; N1178-S1181 WeakPolarHBondContact O-CA 3.43Å; N1178-S1181 VanDerWaalsContact O-CB 3.3Å; N1178-S1181 WeakPolarHBondContact O-CB 3.33Å; N1178-S1181 PolarHBondContact O-N 2.51Å; N1178-E1182 PolarHBondContact O-N 2.82Å
1179L84.3Confident82.3Confident103 Ų103102.5 Ų102.554%0.53951%0.512SS..Hα-helixtrans-60.2-37.7175.1-73.7168.3000111.8E1175 S1181 L1183E1175-L1179 VanDerWaalsContact O-CB 3.3Å; E1175-L1179 WeakPolarHBondContact O-CB 3.44Å; E1175-L1179 VanDerWaalsContact O-CG 3.22Å; E1175-L1179 WeakPolarHBondContact O-CG 3.4Å; E1175-L1179 PolarHBondContact O-N 3.07Å; L1179-S1181 VanDerWaalsContact C-N 3.35Å; L1179-L1183 WeakPolarHBondContact O-CB 3.29Å; L1179-L1183 PolarHBondContact O-N 2.81Å
1180R84.2Confident82Confident160 Ų160103 Ų10360%0.60451%0.514SS*.Hα-helixtrans-65.3-37.4171.9-76.5162.5171.3179.4-1.7112I1176 D1177 N1178 K1184I1176-R1180 WeakPolarHBondContact O-CB 2.94Å; I1176-R1180 WeakPolarHBondContact O-CD 3.32Å; I1176-R1180 WeakPolarHBondContact O-CG 3.45Å; I1176-R1180 PolarHBondContact O-N 2.8Å; D1177-R1180 PolarHBondContact O-N 3.42Å; D1177-R1180 VanDerWaalsContact OD1-CD 3.3Å; D1177-R1180 WeakPolarHBondContact OD1-CD 3.44Å; D1177-R1180 IonicContact OD1-CZ 3.8Å; D1177-R1180 IonicContact OD1-NE 2.82Å; D1177-R1180 IonicContact OD1-NH1 3.31Å; D1177-R1180 PolarHBondContact OD1-NH1 3.13Å; N1178-R1180 VanDerWaalsContact C-N 3.3Å; N1178-R1180 PolarHBondContact O-N 3Å; R1180-K1184 VanDerWaalsContact O-CB 3.26Å; R1180-K1184 WeakPolarHBondContact O-CB 3.39Å; R1180-K1184 PolarHBondContact O-N 2.99Å
1181S81.9Confident81.5Confident62 Ų62107 Ų10743%0.43452%0.522SS..Hα-helixtrans-67.7-45.8175.5-164.10000111.5D1177 N1178 L1179 L1183 K1184 L1185D1177-S1181 WeakPolarHBondContact O-CB 3.02Å; D1177-S1181 PolarHBondContact O-N 3.21Å; N1178-S1181 CarbonylContact O-C 3.52Å; N1178-S1181 WeakPolarHBondContact O-CA 3.43Å; N1178-S1181 VanDerWaalsContact O-CB 3.3Å; N1178-S1181 WeakPolarHBondContact O-CB 3.33Å; N1178-S1181 PolarHBondContact O-N 2.51Å; L1179-S1181 VanDerWaalsContact C-N 3.35Å; S1181-L1183 PolarHBondContact O-N 2.8Å; S1181-K1184 CarbonylContact O-C 3.55Å; S1181-K1184 WeakPolarHBondContact O-CB 3.47Å; S1181-K1184 PolarHBondContact O-N 2.8Å; S1181-L1185 WeakPolarHBondContact O-CB 3.42Å; S1181-L1185 WeakPolarHBondContact O-CG 3.42Å; S1181-L1185 PolarHBondContact O-N 3.17Å
1182E82.9Confident81.1Confident119 Ų119107.7 Ų107.756%0.55652%0.523SS*.Hα-helixtrans-63.1-39.4173.6-72.3-171.6159.500112.5N1178 K1184 L1185 S1186N1178-E1182 PolarHBondContact O-N 2.82Å; E1182-K1184 VanDerWaalsContact C-N 3.34Å; E1182-L1185 PolarHBondContact O-N 2.9Å; E1182-S1186 WeakPolarHBondContact O-CB 3.36Å; E1182-S1186 PolarHBondContact O-N 3.18Å; E1182-S1186 PolarHBondContact O-OG 2.91Å
1183L82.7Confident80.5Confident89 Ų89107 Ų10747%0.46652%0.52SS..Hα-helixtrans-69.1-34.6175.7-160.7162000110.6L1179 S1181 R1187L1179-L1183 WeakPolarHBondContact O-CB 3.29Å; L1179-L1183 PolarHBondContact O-N 2.81Å; S1181-L1183 PolarHBondContact O-N 2.8Å; L1183-R1187 HydrophobicContact CD2-CG 4.1Å; L1183-R1187 VanDerWaalsContact CD2-CZ 3.42Å; L1183-R1187 VanDerWaalsContact CD2-NE 3.33Å; L1183-R1187 VanDerWaalsContact O-CB 3.28Å; L1183-R1187 WeakPolarHBondContact O-CB 3.45Å; L1183-R1187 VanDerWaalsContact O-CG 3.3Å; L1183-R1187 WeakPolarHBondContact O-CG 3.29Å; L1183-R1187 PolarHBondContact O-N 2.84Å
1184K82.7Confident79.5Confident143 Ų143106 Ų10662%0.62251%0.513SS*.Hα-helixtrans-69.7-41.4171.9-171.9179.9-178.4-177.10112.1R1180 S1181 E1182 R1187 N1188R1180-K1184 VanDerWaalsContact O-CB 3.26Å; R1180-K1184 WeakPolarHBondContact O-CB 3.39Å; R1180-K1184 PolarHBondContact O-N 2.99Å; S1181-K1184 CarbonylContact O-C 3.55Å; S1181-K1184 WeakPolarHBondContact O-CB 3.47Å; S1181-K1184 PolarHBondContact O-N 2.8Å; E1182-K1184 VanDerWaalsContact C-N 3.34Å; K1184-R1187 PolarHBondContact O-N 3.31Å; K1184-N1188 WeakPolarHBondContact O-CB 3.36Å; K1184-N1188 PolarHBondContact O-N 2.98Å
1185L80.2Confident78.8Confident112 Ų112103.6 Ų103.659%0.58651%0.513SS*.Hα-helixtrans-64.3-44.9173.7-79.1166.8000111S1181 E1182 N1188 H1189S1181-L1185 WeakPolarHBondContact O-CB 3.42Å; S1181-L1185 WeakPolarHBondContact O-CG 3.42Å; S1181-L1185 PolarHBondContact O-N 3.17Å; E1182-L1185 PolarHBondContact O-N 2.9Å; L1185-N1188 CarbonylContact O-C 3.54Å; L1185-N1188 PolarHBondContact O-N 2.97Å; L1185-H1189 WeakPolarHBondContact O-CB 3.37Å; L1185-H1189 PolarHBondContact O-N 2.87Å
1186S78.8Confident78Confident66 Ų66104.5 Ų104.546%0.46252%0.52SS..Hα-helixtrans-64-40.3175.3-62.30000111.6E1182 H1189 I1190E1182-S1186 WeakPolarHBondContact O-CB 3.36Å; E1182-S1186 PolarHBondContact O-N 3.18Å; E1182-S1186 PolarHBondContact O-OG 2.91Å; S1186-H1189 PolarHBondContact O-N 3.44Å; S1186-I1190 WeakPolarHBondContact O-CB 3.36Å; S1186-I1190 VanDerWaalsContact O-CG1 3.23Å; S1186-I1190 WeakPolarHBondContact O-CG1 3.21Å; S1186-I1190 PolarHBondContact O-N 2.77Å
1187R80.2Confident76.4Confident173 Ų173106 Ų10665%0.65353%0.529SS*.Hα-helixtrans-65-39.1171.8-81.4179.2176.8167.22.8112.6L1183 K1184 H1189 Y1191L1183-R1187 HydrophobicContact CD2-CG 4.1Å; L1183-R1187 VanDerWaalsContact CD2-CZ 3.42Å; L1183-R1187 VanDerWaalsContact CD2-NE 3.33Å; L1183-R1187 VanDerWaalsContact O-CB 3.28Å; L1183-R1187 WeakPolarHBondContact O-CB 3.45Å; L1183-R1187 VanDerWaalsContact O-CG 3.3Å; L1183-R1187 WeakPolarHBondContact O-CG 3.29Å; L1183-R1187 PolarHBondContact O-N 2.84Å; K1184-R1187 PolarHBondContact O-N 3.31Å; R1187-H1189 VanDerWaalsContact C-N 3.35Å; R1187-Y1191 VanDerWaalsContact O-CB 3.24Å; R1187-Y1191 WeakPolarHBondContact O-CB 3.4Å; R1187-Y1191 PolarHBondContact O-N 2.83Å
1188N79.2Confident74.8Confident89 Ų89105.1 Ų105.148%0.47654%0.538SS..Hα-helixtrans-68.5-33.8172.9-83.9-2.2000112K1184 L1185 Y1191 N1192K1184-N1188 WeakPolarHBondContact O-CB 3.36Å; K1184-N1188 PolarHBondContact O-N 2.98Å; L1185-N1188 CarbonylContact O-C 3.54Å; L1185-N1188 PolarHBondContact O-N 2.97Å; N1188-Y1191 PolarHBondContact O-N 3.19Å; N1188-N1192 VanDerWaalsContact O-CB 3.24Å; N1188-N1192 WeakPolarHBondContact O-CB 3.48Å; N1188-N1192 PolarHBondContact O-N 2.87Å; N1188-N1192 PolarHBondContact O-ND2 3.37Å
1189H76.8Confident73.2Confident122 Ų122104.1 Ų104.157%0.56553%0.532SS*.Hα-helixtrans-72.7-40.2176.4-157.971.6000111L1185 S1186 R1187 N1192 L1193L1185-H1189 WeakPolarHBondContact O-CB 3.37Å; L1185-H1189 PolarHBondContact O-N 2.87Å; S1186-H1189 PolarHBondContact O-N 3.44Å; R1187-H1189 VanDerWaalsContact C-N 3.35Å; H1189-N1192 PolarHBondContact O-N 2.65Å; H1189-L1193 VanDerWaalsContact O-CB 3.3Å; H1189-L1193 WeakPolarHBondContact O-CB 3.25Å; H1189-L1193 VanDerWaalsContact O-CG 3.23Å; H1189-L1193 WeakPolarHBondContact O-CG 3.35Å; H1189-L1193 PolarHBondContact O-N 3.32Å
1190I74.2Confident71.6Confident93 Ų93106.5 Ų106.548%0.47755%0.545SS..Hα-helixtrans-61.8-45.6169.2-70.2164.7000110.3S1186 N1192 L1193 E1194S1186-I1190 WeakPolarHBondContact O-CB 3.36Å; S1186-I1190 VanDerWaalsContact O-CG1 3.23Å; S1186-I1190 WeakPolarHBondContact O-CG1 3.21Å; S1186-I1190 PolarHBondContact O-N 2.77Å; I1190-N1192 PolarHBondContact O-N 3.46Å; I1190-L1193 CarbonylContact O-C 3.53Å; I1190-L1193 PolarHBondContact O-N 3.22Å; I1190-E1194 HydrophobicContact CG2-CG 4.26Å; I1190-E1194 WeakPolarHBondContact O-CB 3.49Å; I1190-E1194 WeakPolarHBondContact O-CG 3.46Å; I1190-E1194 PolarHBondContact O-N 3.3Å
1191Y73.9Confident70.2Confident155 Ų155110 Ų11061%0.60856%0.559SS**Hα-helixtrans-65.2-38.5177.9-170-94.9000112.1R1187 N1188 E1194 A1195R1187-Y1191 VanDerWaalsContact O-CB 3.24Å; R1187-Y1191 WeakPolarHBondContact O-CB 3.4Å; R1187-Y1191 PolarHBondContact O-N 2.83Å; N1188-Y1191 PolarHBondContact O-N 3.19Å; Y1191-E1194 PolarHBondContact O-N 3.09Å; Y1191-A1195 VanDerWaalsContact O-CB 3.27Å; Y1191-A1195 WeakPolarHBondContact O-CB 3.34Å; Y1191-A1195 PolarHBondContact O-N 2.96Å
1192N75.2Confident68.9Low89 Ų89116.4 Ų116.448%0.47658%0.579SS.*Hα-helixtrans-68.2-36.4172.8-75.2-12.6000111.7N1188 H1189 I1190 A1195 I1196N1188-N1192 VanDerWaalsContact O-CB 3.24Å; N1188-N1192 WeakPolarHBondContact O-CB 3.48Å; N1188-N1192 PolarHBondContact O-N 2.87Å; N1188-N1192 PolarHBondContact O-ND2 3.37Å; H1189-N1192 PolarHBondContact O-N 2.65Å; I1190-N1192 PolarHBondContact O-N 3.46Å; N1192-A1195 PolarHBondContact O-N 3Å; N1192-I1196 VanDerWaalsContact O-CB 3.26Å; N1192-I1196 WeakPolarHBondContact O-CB 3.34Å; N1192-I1196 WeakPolarHBondContact O-CD1 3.26Å; N1192-I1196 WeakPolarHBondContact O-CG1 3.48Å; N1192-I1196 PolarHBondContact O-N 3.42Å
1193L68.6Low67.3Low72 Ų72115.7 Ų115.738%0.37758%0.579SS.*Hα-helixtrans-69-41.7172.9-76.1166.2000111.4H1189 I1190 A1195 I1196 L1197H1189-L1193 VanDerWaalsContact O-CB 3.3Å; H1189-L1193 WeakPolarHBondContact O-CB 3.25Å; H1189-L1193 VanDerWaalsContact O-CG 3.23Å; H1189-L1193 WeakPolarHBondContact O-CG 3.35Å; H1189-L1193 PolarHBondContact O-N 3.32Å; I1190-L1193 CarbonylContact O-C 3.53Å; I1190-L1193 PolarHBondContact O-N 3.22Å; L1193-A1195 VanDerWaalsContact C-N 3.27Å; L1193-A1195 PolarHBondContact O-N 2.71Å; L1193-I1196 PolarHBondContact O-N 3.15Å; L1193-L1197 HydrophobicContact CB-CD1 4.41Å; L1193-L1197 WeakPolarHBondContact O-CB 3.48Å; L1193-L1197 WeakPolarHBondContact O-CD1 3.09Å; L1193-L1197 VanDerWaalsContact O-CG 3.22Å; L1193-L1197 WeakPolarHBondContact O-CG 3.42Å; L1193-L1197 PolarHBondContact O-N 2.89Å
1194E63.7Low66Low76 Ų76114 Ų11436%0.35558%0.583SS.*Hα-helixtrans-60.1-38172.1-75.2179.2159.100110.9I1190 Y1191 G1198 L1199I1190-E1194 HydrophobicContact CG2-CG 4.26Å; I1190-E1194 WeakPolarHBondContact O-CB 3.49Å; I1190-E1194 WeakPolarHBondContact O-CG 3.46Å; I1190-E1194 PolarHBondContact O-N 3.3Å; Y1191-E1194 PolarHBondContact O-N 3.09Å; E1194-G1198 CarbonylContact O-C 3.55Å; E1194-G1198 PolarHBondContact O-N 2.96Å; E1194-L1199 PolarHBondContact O-N 3.08Å
1195A68.5Low64.9Low68 Ų68113.3 Ų113.356%0.56259%0.586SS**Hα-helixtrans-73.4-41.8175.400000113.6Y1191 N1192 L1193 G1198Y1191-A1195 VanDerWaalsContact O-CB 3.27Å; Y1191-A1195 WeakPolarHBondContact O-CB 3.34Å; Y1191-A1195 PolarHBondContact O-N 2.96Å; N1192-A1195 PolarHBondContact O-N 3Å; L1193-A1195 VanDerWaalsContact C-N 3.27Å; L1193-A1195 PolarHBondContact O-N 2.71Å; A1195-G1198 PolarHBondContact O-N 3.05Å
1196I67.2Low63.7Low138 Ų138112.8 Ų112.871%0.70858%0.581SS**Hα-helixtrans-71.5-34.5178.3-71.3164.1000111.2N1192 L1193N1192-I1196 VanDerWaalsContact O-CB 3.26Å; N1192-I1196 WeakPolarHBondContact O-CB 3.34Å; N1192-I1196 WeakPolarHBondContact O-CD1 3.26Å; N1192-I1196 WeakPolarHBondContact O-CG1 3.48Å; N1192-I1196 PolarHBondContact O-N 3.42Å; L1193-I1196 PolarHBondContact O-N 3.15Å
1197L52.8Low62.5Low112 Ų112112.1 Ų112.159%0.58657%0.574SS**THydrogen-bonded Turntrans-89.3-2.6177.5-62.9165.1000113L1193 L1199L1193-L1197 HydrophobicContact CB-CD1 4.41Å; L1193-L1197 WeakPolarHBondContact O-CB 3.48Å; L1193-L1197 WeakPolarHBondContact O-CD1 3.09Å; L1193-L1197 VanDerWaalsContact O-CG 3.22Å; L1193-L1197 WeakPolarHBondContact O-CG 3.42Å; L1193-L1197 PolarHBondContact O-N 2.89Å; L1197-L1199 VanDerWaalsContact C-N 3.25Å; L1197-L1199 HydrophobicContact CB-CD1 3.67Å; L1197-L1199 HydrophobicContact CB-CG 3.75Å; L1197-L1199 HydrophobicContact CD1-CD1 3.92Å; L1197-L1199 HydrophobicContact CG-CD1 4.44Å; L1197-L1199 PolarHBondContact O-N 3.07Å
1198G49.8Very low61.5Low60 Ų60110.7 Ų110.762%0.61957%0.572SS**THydrogen-bonded Turntrans62.825.4178.100000114.9E1194 A1195 N1200E1194-G1198 CarbonylContact O-C 3.55Å; E1194-G1198 PolarHBondContact O-N 2.96Å; A1195-G1198 PolarHBondContact O-N 3.05Å; G1198-N1200 PolarHBondContact O-N 2.84Å
1199L48.8Very low60.6Low85 Ų85113 Ų11345%0.44558%0.58SS.*  trans-80.277.9-165.7-73.9170000113.1E1194 L1197E1194-L1199 PolarHBondContact O-N 3.08Å; L1197-L1199 VanDerWaalsContact C-N 3.25Å; L1197-L1199 HydrophobicContact CB-CD1 3.67Å; L1197-L1199 HydrophobicContact CB-CG 3.75Å; L1197-L1199 HydrophobicContact CD1-CD1 3.92Å; L1197-L1199 HydrophobicContact CG-CD1 4.44Å; L1197-L1199 PolarHBondContact O-N 3.07Å
1200N52.5Low59.8Low153 Ų153112 Ų11282%0.81858%0.579SS**  trans-68.2134.5167.1-114.2-42000111.1G1198 K1202G1198-N1200 PolarHBondContact O-N 2.84Å; N1200-K1202 PolarHBondContact O-N 3.47Å
1201R53.2Low59.1Low233 Ų233112.6 Ų112.688%0.87958%0.582SS**THydrogen-bonded Turntrans-61.925.7-162.9-69.4-178.3168.2179.8-3.2119
1202K56Low58.5Low198 Ų198110.1 Ų110.186%0.86158%0.578SS**THydrogen-bonded Turntrans-100-23.8-169.6-78.5-171.4171.5-1760117.6N1200N1200-K1202 PolarHBondContact O-N 3.47Å
1203N48.4Very low57.8Low104 Ų104112.3 Ų112.356%0.55659%0.586SS**  trans-125.998.5-178.6-68.5-17.1000111T1207N1203-T1207 PolarHBondContact O-OG1 2.99Å
1204G55.8Low57.1Low54 Ų54114.2 Ų114.256%0.55760%0.596SS**  trans-94.1-25.1-175.900000116.5T1207 K1208G1204-T1207 PolarHBondContact O-OG1 2.85Å; G1204-K1208 PolarHBondContact O-N 2.67Å
1205D59.2Low56.8Low128 Ų128116.7 Ų116.768%0.68461%0.611SS**Hα-helixtrans-84.2-36.2-169.7-72.1-32.8000113.8T1207 K1208 Q1209D1205-T1207 VanDerWaalsContact C-N 3.32Å; D1205-T1207 PolarHBondContact O-N 3.09Å; D1205-K1208 WeakPolarHBondContact O-CB 3.37Å; D1205-K1208 PolarHBondContact O-N 2.8Å; D1205-Q1209 PolarHBondContact O-N 3.3Å
1206Q54.6Low56.1Low101 Ų101121.8 Ų121.847%0.47262%0.621SS.*Hα-helixtrans-66.9-35.3175.3-72.3-177.5-65.100111.6K1208 Q1209 L1210Q1206-K1208 VanDerWaalsContact C-N 3.29Å; Q1206-K1208 PolarHBondContact O-N 3.43Å; Q1206-Q1209 PolarHBondContact O-N 2.87Å; Q1206-L1210 PolarHBondContact O-N 3.35Å
1207T54.3Low55.5Low51 Ų51118.9 Ų118.931%0.31361%0.613SS.*Hα-helixtrans-61.3-38.2174.9-13.30000111.3N1203 G1204 D1205 L1210 L1211N1203-T1207 PolarHBondContact O-OG1 2.99Å; G1204-T1207 PolarHBondContact O-OG1 2.85Å; D1205-T1207 VanDerWaalsContact C-N 3.32Å; D1205-T1207 PolarHBondContact O-N 3.09Å; T1207-L1210 PolarHBondContact O-N 2.78Å; T1207-L1211 WeakPolarHBondContact O-CB 3.24Å; T1207-L1211 PolarHBondContact O-N 3.1Å
1208K59.5Low55.3Low143 Ų143120.1 Ų120.162%0.62262%0.62SS**Hα-helixtrans-61.8-42.7174-114176.9-179.1175.60112.4G1204 D1205 Q1206 I1212G1204-K1208 PolarHBondContact O-N 2.67Å; D1205-K1208 WeakPolarHBondContact O-CB 3.37Å; D1205-K1208 PolarHBondContact O-N 2.8Å; Q1206-K1208 VanDerWaalsContact C-N 3.29Å; Q1206-K1208 PolarHBondContact O-N 3.43Å; K1208-I1212 WeakPolarHBondContact O-CD1 3.47Å; K1208-I1212 VanDerWaalsContact O-CG1 3.23Å; K1208-I1212 WeakPolarHBondContact O-CG1 3.31Å; K1208-I1212 PolarHBondContact O-N 2.92Å; K1208-I1212 VanDerWaalsContact O-N 3.08Å
1209Q60.6Low55Low138 Ų138121.3 Ų121.365%0.64562%0.619SS**Hα-helixtrans-69-41.2178.4-72.8-176.2-17.500112.4D1205 Q1206 I1212 Q1213D1205-Q1209 PolarHBondContact O-N 3.3Å; Q1206-Q1209 PolarHBondContact O-N 2.87Å; Q1209-I1212 PolarHBondContact O-N 3.06Å; Q1209-Q1213 PolarHBondContact O-N 3.49Å
1210L58.9Low55.2Low102 Ų102122.6 Ų122.653%0.53463%0.626SS.*Hα-helixtrans-64.7-39.9175.3-82.2162.9000112.6Q1206 T1207 I1212 Q1213 L1214Q1206-L1210 PolarHBondContact O-N 3.35Å; T1207-L1210 PolarHBondContact O-N 2.78Å; L1210-I1212 VanDerWaalsContact C-N 3.34Å; L1210-I1212 PolarHBondContact O-N 3.21Å; L1210-Q1213 PolarHBondContact O-N 3.31Å; L1210-L1214 WeakPolarHBondContact O-CB 3.28Å; L1210-L1214 PolarHBondContact O-N 3.27Å
1211L59.1Low55.4Low104 Ų104119.7 Ų119.755%0.54562%0.616SS.*Hα-helixtrans-61.4-39.6172-100.7144.3000112.5T1207 Q1213 N1215T1207-L1211 WeakPolarHBondContact O-CB 3.24Å; T1207-L1211 PolarHBondContact O-N 3.1Å; L1211-Q1213 VanDerWaalsContact C-N 3.35Å; L1211-N1215 WeakPolarHBondContact O-CB 3.27Å; L1211-N1215 PolarHBondContact O-N 2.92Å
1212I62.9Low55.9Low103 Ų103114.5 Ų114.553%0.52860%0.604SS.*Hα-helixtrans-70.3-30.3177-69.4164.9000112K1208 Q1209 L1210K1208-I1212 WeakPolarHBondContact O-CD1 3.47Å; K1208-I1212 VanDerWaalsContact O-CG1 3.23Å; K1208-I1212 WeakPolarHBondContact O-CG1 3.31Å; K1208-I1212 PolarHBondContact O-N 2.92Å; K1208-I1212 VanDerWaalsContact O-N 3.08Å; Q1209-I1212 PolarHBondContact O-N 3.06Å; L1210-I1212 VanDerWaalsContact C-N 3.34Å; L1210-I1212 PolarHBondContact O-N 3.21Å
1213Q58.9Low56.1Low135 Ų135111.6 Ų111.663%0.63159%0.594SS**Hα-helixtrans-75.6-44.2173.4-78.8-178.2-46.900112.4Q1209 L1210 L1211 N1215 K1216Q1209-Q1213 PolarHBondContact O-N 3.49Å; L1210-Q1213 PolarHBondContact O-N 3.31Å; L1211-Q1213 VanDerWaalsContact C-N 3.35Å; Q1213-N1215 PolarHBondContact O-N 3.41Å; Q1213-K1216 PolarHBondContact O-N 2.91Å; Q1213-K1216 VanDerWaalsContact O-N 3.1Å
1214L55.3Low56.7Low112 Ų112112.4 Ų112.459%0.58659%0.594SS**Hα-helixtrans-64.8-38.3178.9-82.9156.8000112.8L1210 K1216 S1217L1210-L1214 WeakPolarHBondContact O-CB 3.28Å; L1210-L1214 PolarHBondContact O-N 3.27Å; L1214-K1216 PolarHBondContact O-N 3.43Å; L1214-S1217 PolarHBondContact O-N 3.02Å; L1214-S1217 PolarHBondContact O-OG 3.37Å
1215N56.8Low57.4Low129 Ų129113.7 Ų113.769%0.6959%0.591SS**THydrogen-bonded Turntrans-70.5-8.9174.3-82.18.2000114.2L1211 Q1213L1211-N1215 WeakPolarHBondContact O-CB 3.27Å; L1211-N1215 PolarHBondContact O-N 2.92Å; Q1213-N1215 PolarHBondContact O-N 3.41Å
1216K53.9Low58.1Low174 Ų174113.1 Ų113.176%0.75759%0.585SS**THydrogen-bonded Turntrans-92.9-11.3172.7-79.5-175.4174.6-173.90113.9Q1213 L1214Q1213-K1216 PolarHBondContact O-N 2.91Å; Q1213-K1216 VanDerWaalsContact O-N 3.1Å; L1214-K1216 PolarHBondContact O-N 3.43Å
1217S53.6Low59.1Low78 Ų78115.2 Ų115.255%0.54559%0.589SS.*THydrogen-bonded Turntrans-97.8-18.8-179.841.50000114.9L1214L1214-S1217 PolarHBondContact O-N 3.02Å; L1214-S1217 PolarHBondContact O-OG 3.37Å
1218N49Very low60.1Low138 Ų138117.7 Ų117.774%0.73860%0.6SS**  trans-115.677.9176.4-77.11.7000110.7
1219S43.4Very low60.9Low84 Ų84117.4 Ų117.459%0.58760%0.601SS**  trans-9389.7170.457.90000110.4
1220D53.4Low61.6Low112 Ų112115.9 Ų115.960%0.59960%0.597SS**  trans-69.5126.1167.8-86.2-37.5000109.6I1222 Q1223D1220-I1222 PolarHBondContact O-N 2.95Å; D1220-Q1223 PolarHBondContact O-N 3.22Å
1221P57.1Low62.6Low93 Ų93116.2 Ų116.260%0.60460%0.596SS**Hα-helixtrans-57.1-28.9-175.3-26.634.1000114.1Q1224 T1225P1221-Q1224 PolarHBondContact O-N 2.86Å; P1221-T1225 PolarHBondContact O-N 2.67Å; P1221-T1225 PolarHBondContact O-OG1 3.46Å
1222I63.1Low63.6Low123 Ų123119.9 Ų119.963%0.63160%0.604SS**Hα-helixtrans-68-44-173.6-60.8173.2000111.3D1220 Q1224 T1225 E1226D1220-I1222 PolarHBondContact O-N 2.95Å; I1222-Q1224 VanDerWaalsContact C-N 3.28Å; I1222-Q1224 PolarHBondContact O-N 2.98Å; I1222-T1225 WeakPolarHBondContact CA-OG1 3.43Å; I1222-T1225 PolarHBondContact O-N 2.83Å; I1222-T1225 PolarHBondContact O-OG1 3.04Å; I1222-E1226 PolarHBondContact O-N 2.88Å
1223Q60.4Low64.4Low137 Ų137118.6 Ų118.664%0.6460%0.601SS**Hα-helixtrans-68-29.9178.5-73.1-171.8-10.100112.2D1220 Y1227D1220-Q1223 PolarHBondContact O-N 3.22Å; Q1223-Y1227 WeakPolarHBondContact O-CB 3.37Å; Q1223-Y1227 PolarHBondContact O-N 2.79Å
1224Q61Low65.4Low122 Ų122116.4 Ų116.457%0.5759%0.592SS**Hα-helixtrans-67.1-42.9173.3-116.8171.4-15.900111.3P1221 I1222 Y1227 D1228P1221-Q1224 PolarHBondContact O-N 2.86Å; I1222-Q1224 VanDerWaalsContact C-N 3.28Å; I1222-Q1224 PolarHBondContact O-N 2.98Å; Q1224-Y1227 PolarHBondContact O-N 3.17Å; Q1224-D1228 WeakPolarHBondContact O-CB 3.35Å; Q1224-D1228 PolarHBondContact O-N 3.24Å
1225T71.3Confident66.7Low81 Ų81117.2 Ų117.250%0.49759%0.591SS.*Hα-helixtrans-64.7-36.6173.634.40000114.1P1221 I1222 Q1229P1221-T1225 PolarHBondContact O-N 2.67Å; P1221-T1225 PolarHBondContact O-OG1 3.46Å; I1222-T1225 WeakPolarHBondContact CA-OG1 3.43Å; I1222-T1225 PolarHBondContact O-N 2.83Å; I1222-T1225 PolarHBondContact O-OG1 3.04Å; T1225-Q1229 WeakPolarHBondContact O-CB 3.37Å; T1225-Q1229 WeakPolarHBondContact O-CG 3.5Å; T1225-Q1229 PolarHBondContact O-N 2.79Å
1226E73.7Confident67.8Low116 Ų116113.5 Ų113.554%0.54258%0.579SS.*Hα-helixtrans-67.9-40.2174.1-73.3-173.9145.100111.9I1222 Q1229 L1230I1222-E1226 PolarHBondContact O-N 2.88Å; E1226-Q1229 PolarHBondContact O-N 2.81Å; E1226-L1230 WeakPolarHBondContact O-CB 3.46Å; E1226-L1230 WeakPolarHBondContact O-CG 3.32Å; E1226-L1230 PolarHBondContact O-N 3.42Å
1227Y74.2Confident69.1Low144 Ų144111.5 Ų111.557%0.56557%0.572SS**Hα-helixtrans-64-41.6175.7-169.7-93.6000112.1Q1223 Q1224 L1230 Q1231Q1223-Y1227 WeakPolarHBondContact O-CB 3.37Å; Q1223-Y1227 PolarHBondContact O-N 2.79Å; Q1224-Y1227 PolarHBondContact O-N 3.17Å; Y1227-L1230 PolarHBondContact O-N 3.32Å; Y1227-Q1231 HydrophobicContact CD1-CG 4.09Å; Y1227-Q1231 HydrophobicContact CE1-CG 3.77Å; Y1227-Q1231 WeakPolarHBondContact O-CB 3.49Å; Y1227-Q1231 WeakPolarHBondContact O-CG 3.33Å; Y1227-Q1231 PolarHBondContact O-N 2.84Å
1228D75.6Confident70.4Confident103 Ų103113.5 Ų113.555%0.55157%0.573SS**Hα-helixtrans-67.4-36.3175.8-76.2-16000112.1Q1224 Q1231 Y1232Q1224-D1228 WeakPolarHBondContact O-CB 3.35Å; Q1224-D1228 PolarHBondContact O-N 3.24Å; D1228-Q1231 PolarHBondContact O-N 2.78Å; D1228-Y1232 WeakPolarHBondContact O-CB 3.16Å; D1228-Y1232 PolarHBondContact O-N 2.86Å
1229Q76.2Confident72Confident138 Ų138111.4 Ų111.465%0.64556%0.561SS**Hα-helixtrans-67-38172.7-76.7-178.14.800112.6T1225 E1226 Y1232 T1233T1225-Q1229 WeakPolarHBondContact O-CB 3.37Å; T1225-Q1229 WeakPolarHBondContact O-CG 3.5Å; T1225-Q1229 PolarHBondContact O-N 2.79Å; E1226-Q1229 PolarHBondContact O-N 2.81Å; Q1229-Y1232 PolarHBondContact O-N 3.11Å; Q1229-T1233 PolarHBondContact O-N 3.48Å; Q1229-T1233 PolarHBondContact O-OG1 3.42Å
1230L76.2Confident73.8Confident106 Ų106111.5 Ų111.556%0.55555%0.551SS**Hα-helixtrans-67-41.8173.4-78.7165.1000111.9E1226 Y1227 Y1232 T1233 I1234E1226-L1230 WeakPolarHBondContact O-CB 3.46Å; E1226-L1230 WeakPolarHBondContact O-CG 3.32Å; E1226-L1230 PolarHBondContact O-N 3.42Å; Y1227-L1230 PolarHBondContact O-N 3.32Å; L1230-Y1232 VanDerWaalsContact C-N 3.33Å; L1230-Y1232 PolarHBondContact O-N 3.36Å; L1230-T1233 WeakPolarHBondContact CA-OG1 3.43Å; L1230-T1233 PolarHBondContact O-N 3.05Å; L1230-T1233 PolarHBondContact O-OG1 2.72Å; L1230-T1233 VanDerWaalsContact O-OG1 3.11Å; L1230-I1234 WeakPolarHBondContact O-CB 3.18Å; L1230-I1234 VanDerWaalsContact O-CG1 3.25Å; L1230-I1234 WeakPolarHBondContact O-CG1 3.38Å; L1230-I1234 PolarHBondContact O-N 2.73Å
1231Q78.9Confident75.1Confident108 Ų108110.5 Ų110.551%0.50555%0.545SS..Hα-helixtrans-57.9-44.5170.1-80.2-102.1-21.600111.7Y1227 D1228 K1235Y1227-Q1231 HydrophobicContact CD1-CG 4.09Å; Y1227-Q1231 HydrophobicContact CE1-CG 3.77Å; Y1227-Q1231 WeakPolarHBondContact O-CB 3.49Å; Y1227-Q1231 WeakPolarHBondContact O-CG 3.33Å; Y1227-Q1231 PolarHBondContact O-N 2.84Å; D1228-Q1231 PolarHBondContact O-N 2.78Å; Q1231-K1235 WeakPolarHBondContact O-CB 3.26Å; Q1231-K1235 PolarHBondContact O-N 3.46Å
1232Y80.3Confident76.3Confident182 Ų182110.9 Ų110.971%0.71454%0.538SS*.Hα-helixtrans-67.1-40.1-178.6-153.5-82.3000112.6D1228 Q1229 L1230 K1235 A1236D1228-Y1232 WeakPolarHBondContact O-CB 3.16Å; D1228-Y1232 PolarHBondContact O-N 2.86Å; Q1229-Y1232 PolarHBondContact O-N 3.11Å; L1230-Y1232 VanDerWaalsContact C-N 3.33Å; L1230-Y1232 PolarHBondContact O-N 3.36Å; Y1232-K1235 PolarHBondContact O-N 3.4Å; Y1232-A1236 WeakPolarHBondContact O-CB 3.25Å; Y1232-A1236 PolarHBondContact O-N 3.36Å
1233T79.4Confident77.1Confident75 Ų75108.5 Ų108.546%0.4653%0.53SS..Hα-helixtrans-70.4-39.8176.641.40000112.6Q1229 L1230 K1235 A1236 Q1237Q1229-T1233 PolarHBondContact O-N 3.48Å; Q1229-T1233 PolarHBondContact O-OG1 3.42Å; L1230-T1233 WeakPolarHBondContact CA-OG1 3.43Å; L1230-T1233 PolarHBondContact O-N 3.05Å; L1230-T1233 PolarHBondContact O-OG1 2.72Å; L1230-T1233 VanDerWaalsContact O-OG1 3.11Å; T1233-K1235 VanDerWaalsContact C-N 3.32Å; T1233-K1235 PolarHBondContact O-N 3.26Å; T1233-A1236 PolarHBondContact O-N 3.02Å; T1233-Q1237 WeakPolarHBondContact O-CG 3.47Å; T1233-Q1237 PolarHBondContact O-N 2.78Å
1234I81.1Confident77.9Confident89 Ų89105.4 Ų105.446%0.45652%0.517SS..Hα-helixtrans-60.2-43.6171.9-70.6167.5000110.6L1230 Q1237 Q1238L1230-I1234 WeakPolarHBondContact O-CB 3.18Å; L1230-I1234 VanDerWaalsContact O-CG1 3.25Å; L1230-I1234 WeakPolarHBondContact O-CG1 3.38Å; L1230-I1234 PolarHBondContact O-N 2.73Å; I1234-Q1237 PolarHBondContact O-N 3.5Å; I1234-Q1238 WeakPolarHBondContact O-CG 3.48Å; I1234-Q1238 PolarHBondContact O-N 3.06Å
1235K82.1Confident78.7Confident129 Ų129104.8 Ų104.856%0.56151%0.514SS*.Hα-helixtrans-65.2-43.6178.9-166.8171.7-175.5176.80112.4Q1231 Y1232 T1233 Q1237 Q1238 D1239Q1231-K1235 WeakPolarHBondContact O-CB 3.26Å; Q1231-K1235 PolarHBondContact O-N 3.46Å; Y1232-K1235 PolarHBondContact O-N 3.4Å; T1233-K1235 VanDerWaalsContact C-N 3.32Å; T1233-K1235 PolarHBondContact O-N 3.26Å; K1235-Q1237 VanDerWaalsContact C-N 3.3Å; K1235-Q1237 PolarHBondContact O-N 2.82Å; K1235-Q1238 PolarHBondContact O-N 2.59Å; K1235-Q1238 VanDerWaalsContact O-N 3.15Å; K1235-D1239 PolarHBondContact O-N 3.13Å
1236A80.7Confident79Confident52 Ų52105.9 Ų105.943%0.4352%0.515SS..Hα-helixtrans-60.7-37.4174.800000112.7Y1232 T1233 F1240Y1232-A1236 WeakPolarHBondContact O-CB 3.25Å; Y1232-A1236 PolarHBondContact O-N 3.36Å; T1233-A1236 PolarHBondContact O-N 3.02Å; A1236-F1240 WeakPolarHBondContact O-CB 3.34Å; A1236-F1240 PolarHBondContact O-N 2.85Å; A1236-F1240 VanDerWaalsContact O-N 3.08Å
1237Q79.7Confident79Confident131 Ų131107 Ų10761%0.61252%0.518SS*.Hα-helixtrans-67.2-39.6173.5-72.9178.6-400112.3T1233 I1234 K1235 F1240 I1241T1233-Q1237 WeakPolarHBondContact O-CG 3.47Å; T1233-Q1237 PolarHBondContact O-N 2.78Å; I1234-Q1237 PolarHBondContact O-N 3.5Å; K1235-Q1237 VanDerWaalsContact C-N 3.3Å; K1235-Q1237 PolarHBondContact O-N 2.82Å; Q1237-F1240 PolarHBondContact O-N 2.94Å; Q1237-I1241 VanDerWaalsContact O-CG1 3.28Å; Q1237-I1241 WeakPolarHBondContact O-CG1 3.46Å; Q1237-I1241 PolarHBondContact O-N 3.48Å
1238Q82.4Confident78.9Confident121 Ų121104.7 Ų104.757%0.56552%0.515SS*.Hα-helixtrans-63.3-45.2175.3-73.5176.6-13.700112I1234 K1235 F1240 I1241 H1242I1234-Q1238 WeakPolarHBondContact O-CG 3.48Å; I1234-Q1238 PolarHBondContact O-N 3.06Å; K1235-Q1238 PolarHBondContact O-N 2.59Å; K1235-Q1238 VanDerWaalsContact O-N 3.15Å; Q1238-F1240 VanDerWaalsContact C-N 3.32Å; Q1238-F1240 PolarHBondContact O-N 3.49Å; Q1238-I1241 PolarHBondContact O-N 2.99Å; Q1238-H1242 WeakPolarHBondContact O-CB 3.44Å; Q1238-H1242 PolarHBondContact O-N 2.8Å
1239D81.7Confident78.7Confident94 Ų94104.9 Ų104.950%0.50352%0.516SS..Hα-helixtrans-63.2-37.3177.1-71.5-26000111.8K1235 T1243K1235-D1239 PolarHBondContact O-N 3.13Å; D1239-T1243 WeakPolarHBondContact O-CB 3.37Å; D1239-T1243 PolarHBondContact O-N 2.78Å; D1239-T1243 PolarHBondContact O-OG1 2.9Å
1240F81.8Confident78.4Confident85 Ų85105.3 Ų105.337%0.37352%0.518SS..Hα-helixtrans-67.2-44.3174.7-176.3-109.1000112.7A1236 Q1237 Q1238 H1242 T1243 L1244 E1271A1236-F1240 WeakPolarHBondContact O-CB 3.34Å; A1236-F1240 PolarHBondContact O-N 2.85Å; A1236-F1240 VanDerWaalsContact O-N 3.08Å; Q1237-F1240 PolarHBondContact O-N 2.94Å; Q1238-F1240 VanDerWaalsContact C-N 3.32Å; Q1238-F1240 PolarHBondContact O-N 3.49Å; F1240-H1242 VanDerWaalsContact C-N 3.33Å; F1240-H1242 PolarHBondContact O-N 3.2Å; F1240-T1243 WeakPolarHBondContact O-CB 3.39Å; F1240-T1243 PolarHBondContact O-N 2.85Å; F1240-L1244 HydrophobicContact CD1-CD1 3.89Å; F1240-L1244 HydrophobicContact CE1-CD1 3.45Å; F1240-L1244 VanDerWaalsContact CE1-CD1 3.45Å; F1240-L1244 HydrophobicContact CE1-CG 4.22Å; F1240-L1244 HydrophobicContact CZ-CD1 3.92Å; F1240-L1244 HydrophobicContact CZ-CG 4.28Å; F1240-L1244 PolarHBondContact O-N 3.01Å; F1240-E1271 WeakPolarHBondContact CE1-OE2 3.18Å; F1240-E1271 WeakPolarHBondContact CZ-OE2 3.3Å
1241I81Confident77.5Confident91 Ų91102.8 Ų102.847%0.46751%0.507SS..Hα-helixtrans-60.2-43.7174.8-70.6165.6000110.6Q1237 Q1238 T1243 L1244 Q1245Q1237-I1241 VanDerWaalsContact O-CG1 3.28Å; Q1237-I1241 WeakPolarHBondContact O-CG1 3.46Å; Q1237-I1241 PolarHBondContact O-N 3.48Å; Q1238-I1241 PolarHBondContact O-N 2.99Å; I1241-T1243 VanDerWaalsContact C-N 3.32Å; I1241-T1243 PolarHBondContact O-N 2.85Å; I1241-L1244 PolarHBondContact O-N 3.21Å; I1241-Q1245 WeakPolarHBondContact O-CG 3.49Å; I1241-Q1245 PolarHBondContact O-N 3.12Å
1242H81.6Confident76.5Confident101 Ų101103.8 Ų103.847%0.46852%0.515SS..Hα-helixtrans-63.2-38.2176.1-174.7-97.3000112.1Q1238 F1240 Q1245 M1246Q1238-H1242 WeakPolarHBondContact O-CB 3.44Å; Q1238-H1242 PolarHBondContact O-N 2.8Å; F1240-H1242 VanDerWaalsContact C-N 3.33Å; F1240-H1242 PolarHBondContact O-N 3.2Å; H1242-Q1245 PolarHBondContact O-N 2.89Å; H1242-M1246 WeakPolarHBondContact O-CG 3.39Å; H1242-M1246 PolarHBondContact O-N 3.03Å
1243T80.4Confident75.4Confident74 Ų74104 Ų10445%0.45452%0.522SS..Hα-helixtrans-66.3-38.4175.2-54.90000112.1D1239 F1240 I1241 K1247D1239-T1243 WeakPolarHBondContact O-CB 3.37Å; D1239-T1243 PolarHBondContact O-N 2.78Å; D1239-T1243 PolarHBondContact O-OG1 2.9Å; F1240-T1243 WeakPolarHBondContact O-CB 3.39Å; F1240-T1243 PolarHBondContact O-N 2.85Å; I1241-T1243 VanDerWaalsContact C-N 3.32Å; I1241-T1243 PolarHBondContact O-N 2.85Å; T1243-K1247 PolarHBondContact O-N 3.41Å; T1243-K1247 VanDerWaalsContact O-N 3.08Å
1244L75.5Confident74Confident71 Ų71102.7 Ų102.737%0.37252%0.524SS..Hα-helixtrans-66.2-41.5172.7-77.8171.9000112F1240 I1241 K1247 L1248 L1264F1240-L1244 HydrophobicContact CD1-CD1 3.89Å; F1240-L1244 HydrophobicContact CE1-CD1 3.45Å; F1240-L1244 VanDerWaalsContact CE1-CD1 3.45Å; F1240-L1244 HydrophobicContact CE1-CG 4.22Å; F1240-L1244 HydrophobicContact CZ-CD1 3.92Å; F1240-L1244 HydrophobicContact CZ-CG 4.28Å; F1240-L1244 PolarHBondContact O-N 3.01Å; I1241-L1244 PolarHBondContact O-N 3.21Å; L1244-K1247 PolarHBondContact O-N 2.87Å; L1244-L1248 WeakPolarHBondContact O-CB 3.38Å; L1244-L1248 PolarHBondContact O-N 2.78Å; L1244-L1264 HydrophobicContact CD2-CD2 4.39Å
1245Q78.9Confident72.4Confident109 Ų109106.4 Ų106.451%0.50954%0.544SS..Hα-helixtrans-62.5-42.3175.1-74.1174.9-22.400112.2I1241 H1242 L1248 N1249I1241-Q1245 WeakPolarHBondContact O-CG 3.49Å; I1241-Q1245 PolarHBondContact O-N 3.12Å; H1242-Q1245 PolarHBondContact O-N 2.89Å; Q1245-L1248 PolarHBondContact O-N 2.97Å; Q1245-N1249 WeakPolarHBondContact O-CB 3.29Å; Q1245-N1249 PolarHBondContact O-N 3.26Å
1246M77.6Confident71Confident105 Ų105106 Ų10652%0.51755%0.549SS..Hα-helixtrans-58.4-48.1173.1-83.4-77.9-161.100112.2H1242 N1249 Q1250H1242-M1246 WeakPolarHBondContact O-CG 3.39Å; H1242-M1246 PolarHBondContact O-N 3.03Å; M1246-N1249 PolarHBondContact O-N 2.76Å; M1246-Q1250 PolarHBondContact O-N 3.44Å; M1246-Q1250 VanDerWaalsContact O-N 3.12Å
1247K74.1Confident70Confident139 Ų139112.3 Ų112.360%0.60457%0.566SS**Hα-helixtrans-62.2-45.4176.3-78.8-172.1173.6-173.20112T1243 L1244 N1249 Q1250 T1251T1243-K1247 PolarHBondContact O-N 3.41Å; T1243-K1247 VanDerWaalsContact O-N 3.08Å; L1244-K1247 PolarHBondContact O-N 2.87Å; K1247-N1249 VanDerWaalsContact C-N 3.32Å; K1247-N1249 PolarHBondContact O-N 2.86Å; K1247-Q1250 PolarHBondContact O-N 2.95Å; K1247-T1251 PolarHBondContact O-N 3.31Å; K1247-T1251 VanDerWaalsContact O-N 3.1Å; K1247-T1251 PolarHBondContact O-OG1 2.94Å
1248L70.8Confident69.4Low95 Ų95114.9 Ų114.950%0.49758%0.575SS.*Hα-helixtrans-55.3-49.6178-165.377.7000110.6L1244 Q1245 Q1250 T1251 I1252L1244-L1248 WeakPolarHBondContact O-CB 3.38Å; L1244-L1248 PolarHBondContact O-N 2.78Å; Q1245-L1248 PolarHBondContact O-N 2.97Å; L1248-Q1250 PolarHBondContact O-N 2.94Å; L1248-T1251 PolarHBondContact O-N 2.86Å; L1248-T1251 VanDerWaalsContact O-N 3.15Å; L1248-T1251 PolarHBondContact O-OG1 2.91Å; L1248-I1252 WeakPolarHBondContact O-CG1 2.96Å; L1248-I1252 PolarHBondContact O-N 3Å
1249N73.1Confident68.8Low107 Ų107114 Ų11457%0.57258%0.575SS**Hα-helixtrans-62.7-36.8179.8-74.5-14.1000113.5Q1245 M1246 K1247Q1245-N1249 WeakPolarHBondContact O-CB 3.29Å; Q1245-N1249 PolarHBondContact O-N 3.26Å; M1246-N1249 PolarHBondContact O-N 2.76Å; K1247-N1249 VanDerWaalsContact C-N 3.32Å; K1247-N1249 PolarHBondContact O-N 2.86Å
1250Q69Low67.7Low147 Ų147112.1 Ų112.169%0.68756%0.564SS**Hα-helixtrans-66.9-36.5174.4-73.9-178.7-15.300112.3M1246 K1247 L1248M1246-Q1250 PolarHBondContact O-N 3.44Å; M1246-Q1250 VanDerWaalsContact O-N 3.12Å; K1247-Q1250 PolarHBondContact O-N 2.95Å; L1248-Q1250 PolarHBondContact O-N 2.94Å
1251T56.7Low67.1Low54 Ų54113.2 Ų113.233%0.33157%0.573SS.*Hα-helixtrans-80.7-8.8-178.746.40000115.6K1247 L1248 Q1253 G1254 L1260K1247-T1251 PolarHBondContact O-N 3.31Å; K1247-T1251 VanDerWaalsContact O-N 3.1Å; K1247-T1251 PolarHBondContact O-OG1 2.94Å; L1248-T1251 PolarHBondContact O-N 2.86Å; L1248-T1251 VanDerWaalsContact O-N 3.15Å; L1248-T1251 PolarHBondContact O-OG1 2.91Å; T1251-Q1253 PolarHBondContact O-N 2.94Å; T1251-Q1253 VanDerWaalsContact O-N 3.13Å; T1251-G1254 PolarHBondContact O-N 3.12Å; T1251-L1260 HydrophobicContact CG2-CD1 3.83Å; T1251-L1260 HydrophobicContact CG2-CD2 3.91Å
1252I59Low66.8Low128 Ų128115.6 Ų115.666%0.65658%0.58SS**THydrogen-bonded Turntrans-64.1-14.6174.6-73.5169000112.2L1248L1248-I1252 WeakPolarHBondContact O-CG1 2.96Å; L1248-I1252 PolarHBondContact O-N 3Å
1253Q57.5Low66.4Low187 Ų187117.2 Ų117.287%0.87459%0.588SS**THydrogen-bonded Turntrans-93.910.7178-64.8-174.5-20.500115.3T1251T1251-Q1253 PolarHBondContact O-N 2.94Å; T1251-Q1253 VanDerWaalsContact O-N 3.13Å
1254G49.4Very low65.7Low47 Ų47116.9 Ų116.949%0.48558%0.583SS.*SBendtrans-140.2138.1-177.300000115.8T1251 N1256T1251-G1254 PolarHBondContact O-N 3.12Å; G1254-N1256 VanDerWaalsContact C-N 3.27Å; G1254-N1256 PolarHBondContact O-N 3.03Å; G1254-N1256 VanDerWaalsContact O-N 3.1Å
1255D47.5Very low65.6Low167 Ų167119.2 Ų119.289%0.89359%0.592SS**SBendtrans-68.9-6.6-168-71.9-45.1000116.9K1257D1255-K1257 VanDerWaalsContact C-N 3.27Å; D1255-K1257 PolarHBondContact O-N 3.37Å
1256N51.9Low65.3Low122 Ų122120 Ų12065%0.65260%0.599SS**  trans-84.247.2-170.8-72.4-12.1000114.8G1254 K1258 D1259G1254-N1256 VanDerWaalsContact C-N 3.27Å; G1254-N1256 PolarHBondContact O-N 3.03Å; G1254-N1256 VanDerWaalsContact O-N 3.1Å; N1256-K1258 PolarHBondContact O-N 2.73Å; N1256-K1258 VanDerWaalsContact O-N 3.09Å; N1256-D1259 PolarHBondContact O-N 3Å
1257K60.5Low64.9Low184 Ų184117.3 Ų117.380%0.859%0.594SS**Hα-helixtrans-54.8-28.2-178.3-93.2179.3177.31690115.4D1255D1255-K1257 VanDerWaalsContact C-N 3.27Å; D1255-K1257 PolarHBondContact O-N 3.37Å
1258K66.9Low64.7Low184 Ų184115.4 Ų115.480%0.859%0.589SS**Hα-helixtrans-78.1-38.1-175.8-81.4-176.7175.9175.10114N1256N1256-K1258 PolarHBondContact O-N 2.73Å; N1256-K1258 VanDerWaalsContact O-N 3.09Å
1259D69Low64.6Low103 Ų103117.1 Ų117.155%0.55159%0.594SS**Hα-helixtrans-75.7-35.7-178.4-68.5-34.2000111.4N1256 L1261 K1262 E1263N1256-D1259 PolarHBondContact O-N 3Å; D1259-L1261 VanDerWaalsContact C-N 3.25Å; D1259-L1261 PolarHBondContact O-N 3.19Å; D1259-K1262 WeakPolarHBondContact O-CB 3.35Å; D1259-K1262 PolarHBondContact O-N 3.34Å; D1259-K1262 VanDerWaalsContact O-N 3.14Å; D1259-E1263 PolarHBondContact O-N 2.8Å; D1259-E1263 VanDerWaalsContact O-N 3.09Å
1260L59.5Low64.3Low55 Ų55114.7 Ų114.729%0.28859%0.586SS.*Hα-helixtrans-61-33.8175.6-137.588.3000112.9T1251 K1262 E1263 L1264T1251-L1260 HydrophobicContact CG2-CD1 3.83Å; T1251-L1260 HydrophobicContact CG2-CD2 3.91Å; L1260-K1262 VanDerWaalsContact C-N 3.32Å; L1260-E1263 PolarHBondContact O-N 3.01Å; L1260-L1264 HydrophobicContact CD2-CD1 4.43Å; L1260-L1264 WeakPolarHBondContact O-CB 3.45Å; L1260-L1264 WeakPolarHBondContact O-CG 3.44Å; L1260-L1264 PolarHBondContact O-N 3.42Å
1261L70Confident63.7Low107 Ų107112 Ų11256%0.5657%0.573SS**Hα-helixtrans-70.6-30.3179.5-158.7135.9000111.9D1259 Q1265D1259-L1261 VanDerWaalsContact C-N 3.25Å; D1259-L1261 PolarHBondContact O-N 3.19Å; L1261-Q1265 WeakPolarHBondContact O-CB 3.26Å; L1261-Q1265 WeakPolarHBondContact O-CG 3.31Å; L1261-Q1265 PolarHBondContact O-N 3.1Å
1262K73.5Confident63.6Low141 Ų141118.5 Ų118.561%0.61359%0.591SS**Hα-helixtrans-69.4-45.5168.7-89.5178.3173.5174.70112D1259 L1260 L1264 Q1265 L1266D1259-K1262 WeakPolarHBondContact O-CB 3.35Å; D1259-K1262 PolarHBondContact O-N 3.34Å; D1259-K1262 VanDerWaalsContact O-N 3.14Å; L1260-K1262 VanDerWaalsContact C-N 3.32Å; K1262-L1264 PolarHBondContact O-N 2.87Å; K1262-Q1265 PolarHBondContact O-N 2.83Å; K1262-L1266 WeakPolarHBondContact O-CB 3.31Å; K1262-L1266 WeakPolarHBondContact O-CG 3.35Å; K1262-L1266 PolarHBondContact O-N 2.94Å
1263E72.6Confident63.4Low135 Ų135116.6 Ų116.663%0.63159%0.586SS**Hα-helixtrans-61.3-43.5177.2-75.4-159.8139.300112.1D1259 L1260 L1266 A1267D1259-E1263 PolarHBondContact O-N 2.8Å; D1259-E1263 VanDerWaalsContact O-N 3.09Å; L1260-E1263 PolarHBondContact O-N 3.01Å; E1263-L1266 PolarHBondContact O-N 3.38Å; E1263-A1267 WeakPolarHBondContact O-CB 3.39Å; E1263-A1267 PolarHBondContact O-N 3.28Å
1264L67.2Low63.2Low68 Ų68114.7 Ų114.736%0.35658%0.575SS.*Hα-helixtrans-63-41.9177-76.9165.9000112.4L1244 L1260 K1262 A1267 I1268L1244-L1264 HydrophobicContact CD2-CD2 4.39Å; L1260-L1264 HydrophobicContact CD2-CD1 4.43Å; L1260-L1264 WeakPolarHBondContact O-CB 3.45Å; L1260-L1264 WeakPolarHBondContact O-CG 3.44Å; L1260-L1264 PolarHBondContact O-N 3.42Å; K1262-L1264 PolarHBondContact O-N 2.87Å; L1264-A1267 PolarHBondContact O-N 3.05Å; L1264-I1268 WeakPolarHBondContact O-CD1 3.13Å; L1264-I1268 VanDerWaalsContact O-CG1 3.28Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.48Å; L1264-I1268 PolarHBondContact O-N 3.26Å; L1264-I1268 VanDerWaalsContact O-N 3.09Å
1265Q72.4Confident63.1Low120 Ų120117.2 Ų117.256%0.56159%0.585SS**Hα-helixtrans-64.3-39.5175.1-77.7-178.5-17.800112.6L1261 K1262 H1269L1261-Q1265 WeakPolarHBondContact O-CB 3.26Å; L1261-Q1265 WeakPolarHBondContact O-CG 3.31Å; L1261-Q1265 PolarHBondContact O-N 3.1Å; K1262-Q1265 PolarHBondContact O-N 2.83Å; Q1265-H1269 PolarHBondContact O-N 3.45Å; Q1265-H1269 VanDerWaalsContact O-N 3.16Å
1266L73.4Confident63Low124 Ų124113.9 Ų113.965%0.64958%0.575SS**Hα-helixtrans-66.4-43.3175.6-78163.7000112K1262 E1263 H1269 S1270K1262-L1266 WeakPolarHBondContact O-CB 3.31Å; K1262-L1266 WeakPolarHBondContact O-CG 3.35Å; K1262-L1266 PolarHBondContact O-N 2.94Å; E1263-L1266 PolarHBondContact O-N 3.38Å; L1266-H1269 PolarHBondContact O-N 2.66Å; L1266-S1270 WeakPolarHBondContact O-CB 3.48Å; L1266-S1270 PolarHBondContact O-N 3.39Å
1267A69.8Low62.6Low49 Ų49112.5 Ų112.541%0.40558%0.575SS.*Hα-helixtrans-60.2-49.1177.600000111.5E1263 L1264 H1269 S1270 E1271E1263-A1267 WeakPolarHBondContact O-CB 3.39Å; E1263-A1267 PolarHBondContact O-N 3.28Å; L1264-A1267 PolarHBondContact O-N 3.05Å; A1267-H1269 VanDerWaalsContact C-N 3.32Å; A1267-H1269 PolarHBondContact O-N 2.76Å; A1267-S1270 WeakPolarHBondContact O-CB 3.23Å; A1267-S1270 PolarHBondContact O-N 3.13Å; A1267-S1270 PolarHBondContact O-OG 2.9Å; A1267-E1271 PolarHBondContact O-N 3.12Å
1268I69.6Low61.6Low99 Ų99108.2 Ų108.251%0.50857%0.568SS.*Hα-helixtrans-62.1-37.5179.1-66.5166.3000111.7L1264 R1272L1264-I1268 WeakPolarHBondContact O-CD1 3.13Å; L1264-I1268 VanDerWaalsContact O-CG1 3.28Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.48Å; L1264-I1268 PolarHBondContact O-N 3.26Å; L1264-I1268 VanDerWaalsContact O-N 3.09Å; I1268-R1272 PolarHBondContact O-N 3.14Å
1269H68.2Low60.1Low132 Ų132107.6 Ų107.661%0.61157%0.573SS**Hα-helixtrans-67.9-34.4172.7-97.472000113Q1265 L1266 A1267 E1271 T1273Q1265-H1269 PolarHBondContact O-N 3.45Å; Q1265-H1269 VanDerWaalsContact O-N 3.16Å; L1266-H1269 PolarHBondContact O-N 2.66Å; A1267-H1269 VanDerWaalsContact C-N 3.32Å; A1267-H1269 PolarHBondContact O-N 2.76Å; H1269-E1271 VanDerWaalsContact C-N 3.34Å; H1269-E1271 PolarHBondContact O-N 2.92Å; H1269-T1273 WeakPolarHBondContact O-CG2 3.36Å; H1269-T1273 PolarHBondContact O-N 2.6Å; H1269-T1273 PolarHBondContact O-OG1 3.17Å
1270S66.8Low58.6Low55 Ų55108.2 Ų108.239%0.38559%0.585SS.*Hα-helixtrans-71.6-24.9-179.480.90000113.9L1266 A1267 T1273 K1274L1266-S1270 WeakPolarHBondContact O-CB 3.48Å; L1266-S1270 PolarHBondContact O-N 3.39Å; A1267-S1270 WeakPolarHBondContact O-CB 3.23Å; A1267-S1270 PolarHBondContact O-N 3.13Å; A1267-S1270 PolarHBondContact O-OG 2.9Å; S1270-T1273 PolarHBondContact O-OG1 3.35Å; S1270-K1274 WeakPolarHBondContact O-CG 3.35Å
1271E55.5Low57.5Low92 Ų92111.6 Ų111.643%0.4361%0.61SS.*Hα-helixtrans-89.8-39.5174.8-73-166.7144.900112.7F1240 A1267 H1269 T1273 K1274 S1275F1240-E1271 WeakPolarHBondContact CE1-OE2 3.18Å; F1240-E1271 WeakPolarHBondContact CZ-OE2 3.3Å; A1267-E1271 PolarHBondContact O-N 3.12Å; H1269-E1271 VanDerWaalsContact C-N 3.34Å; H1269-E1271 PolarHBondContact O-N 2.92Å; E1271-T1273 PolarHBondContact O-N 2.87Å; E1271-T1273 VanDerWaalsContact O-N 3.09Å; E1271-K1274 PolarHBondContact O-N 3.1Å; E1271-S1275 PolarHBondContact O-N 3.46Å; E1271-S1275 PolarHBondContact O-OG 2.75Å
1272R55.9Low55.8Low189 Ų189113.1 Ų113.171%0.71362%0.624SS**Hα-helixtrans-57.5-25172.8-84.5-173.3169.1-169.9-3.3113.6I1268 S1275I1268-R1272 PolarHBondContact O-N 3.14Å; R1272-S1275 PolarHBondContact O-OG 2.92Å
1273T53.2Low54.1Low89 Ų89112 Ų11255%0.54663%0.634SS.*THydrogen-bonded Turntrans-87.2-15.4175.246.40000114H1269 S1270 E1271 S1276H1269-T1273 WeakPolarHBondContact O-CG2 3.36Å; H1269-T1273 PolarHBondContact O-N 2.6Å; H1269-T1273 PolarHBondContact O-OG1 3.17Å; S1270-T1273 PolarHBondContact O-OG1 3.35Å; E1271-T1273 PolarHBondContact O-N 2.87Å; E1271-T1273 VanDerWaalsContact O-N 3.09Å; T1273-S1276 PolarHBondContact O-OG 3.5Å
1274K53.6Low52.4Low147 Ų147111 Ų11164%0.63964%0.642SS**THydrogen-bonded Turntrans-89.3-34.7172.8-74.8176.7178.4175.60112.7S1270 E1271 S1276 S1277S1270-K1274 WeakPolarHBondContact O-CG 3.35Å; E1271-K1274 PolarHBondContact O-N 3.1Å; K1274-S1276 PolarHBondContact O-N 2.93Å; K1274-S1277 PolarHBondContact O-OG 2.81Å
1275S47.5Very low51Low100 Ų100112.5 Ų112.570%0.69966%0.658SS**THydrogen-bonded Turntrans-69.2-16179.358.20000114.3E1271 R1272E1271-S1275 PolarHBondContact O-N 3.46Å; E1271-S1275 PolarHBondContact O-OG 2.75Å; R1272-S1275 PolarHBondContact O-OG 2.92Å
1276S47Very low49.4Very low97 Ų97111.9 Ų111.968%0.67867%0.667SS**THydrogen-bonded Turntrans-95.12.1-177.355.20000115.2T1273 K1274T1273-S1276 PolarHBondContact O-OG 3.5Å; K1274-S1276 PolarHBondContact O-N 2.93Å
1277S42.5Very low48.1Very low93 Ų93111.4 Ų111.465%0.6567%0.671SS**SBendtrans-121.812.5-169510000116.2K1274K1274-S1277 PolarHBondContact O-OG 2.81Å
1278S39.4Very low46.6Very low93 Ų93115.3 Ų115.365%0.6569%0.69SS**SBendtrans-149.578.7177.149.80000114.8
1279L36Very low45.1Very low172 Ų172114.7 Ų114.790%0.90170%0.7SS**  trans-173.199.4155-104.3151.8000110.2
1280S36.7Very low43.7Very low115 Ų115114.1 Ų114.180%0.80471%0.706SS**  trans-150.9113.5166.353.60000111.9
1281P37.2Very low42.2Very low126 Ų126117 Ų11782%0.81872%0.721SS**  trans-80.8152.4166.1-1229.3000112.1
1282T33.7Very low41.2Very low139 Ų139118.1 Ų118.185%0.85373%0.734SS**  trans-82.1135.1-167.548.90000116.6
1283S37.1Very low40.2Very low119 Ų119115.5 Ų115.583%0.83274%0.735SS**  trans174.4163.7136.556.20000108.4
1284S37.6Very low39.3Very low114 Ų114117.2 Ų117.280%0.79774%0.744SS**  cis-154.7167.3-39.654.20000105.9
1285S37.8Very low38.5Very low98 Ų98117.4 Ų117.469%0.68575%0.751SS**  cis-156.2124.320.850.80000111.2
1286S39.7Very low37.8Very low108 Ų108121.2 Ų121.276%0.75576%0.758SS**  trans33.7157.713468.30000124.4
1287P44.7Very low37.3Very low113 Ų113121.6 Ų121.673%0.73476%0.76SS**  cis-145.5-163.5-48.738.4-16.9000115.2
1288V38.3Very low36.9Very low131 Ų131127.1 Ų127.179%0.79477%0.772SS**  trans89.794.8161.5-163.40000117.6
1289A39.2Very low36.9Very low87 Ų87127.5 Ų127.572%0.71977%0.773SS**  90.5150.382.300000114
1290T37.5Very low36.9Very low120 Ų120129.7 Ų129.774%0.73677%0.77SS**  cis-161.5169.519.6-24.50000112.6
1291T36.1Very low36.9Very low114 Ų114129.4 Ų129.470%0.69977%0.769SS**  trans66.2113.3154.442.20000120.4
1292T35Very low36.7Very low116 Ų116127 Ų12771%0.71277%0.767SS**  68.9138.68363.40000114.3
1293D34.6Very low36.6Very low135 Ų135125.9 Ų125.972%0.72277%0.765SS**  cis-141.8146.220.3-72.9-68.2000111.3
1294V34.2Very low36.5Very low124 Ų124129.5 Ų129.575%0.75277%0.766SS**  53.1113.683.6-165.30000117.2
1295I36Very low36.4Very low152 Ų152131 Ų13178%0.77976%0.763SS**  178.2131126.2-89161.9000112
1296Q33.9Very low36.2Very low180 Ų180131.5 Ų131.584%0.84176%0.758SS**  trans-4.1156152.6-62169.6-7.600120.3
1297S35.2Very low36.2Very low104 Ų104131.8 Ų131.873%0.72776%0.757SS**  cis-165.8140.213.845.70000114.9
1298K35.3Very low35.9Very low209 Ų209131.7 Ų131.791%0.90976%0.756SS**  trans51.5158.7139.7-79.3-167.1172.2-179.40123
1299P38.8Very low35.6Very low101 Ų101132.5 Ų132.566%0.65676%0.755SS**  trans-121.9175.7-145.544.3-33.6000115.6
1300Y36Very low35.4Very low218 Ų218135.7 Ų135.786%0.85576%0.76SS**  -167.2152.3124.4-109.7-78000111.8
1301S37.7Very low35.2Very low110 Ų110139 Ų13977%0.76977%0.766SS**  trans-54.9157.1-177.149.40000116.4
1302G33.1Very low35.2Very low76 Ų76139.7 Ų139.778%0.78477%0.765SS**  cis16097.6000000112.4
1303S30.8Very low35.2Very low115 Ų115139.4 Ų139.480%0.80476%0.76SS**  trans-155.8130.9176.358.20000112.2
1304K35Very low35.2Very low195 Ų195138.5 Ų138.585%0.84876%0.755SS**  trans154.7141.1170.5-92.9164.4-174.2-176.80106.9
1305I34.7Very low35.2Very low146 Ų146138 Ų13875%0.74975%0.748SS**  cis59.387.126.3-51.3-177.3000113.7
1306L33.9Very low35.2Very low108 Ų108136.6 Ų136.657%0.56574%0.742SS**  trans51.1178.7142.7-70.4164.2000118.6
1307P39.9Very low35.2Very low114 Ų114133.8 Ų133.874%0.7473%0.733SS**  cis-104.2-137.7-3530.8-9.1000106.5
1308P38.4Very low35.2Very low111 Ų111134.9 Ų134.972%0.72173%0.731SS**  cis-132.3178-17.541.7-24.7000115.6
1309I32.5Very low35.1Very low148 Ų148135.3 Ų135.376%0.75973%0.726SS**  trans-79.1143161.8-67.1156.7000109.6
1310N34.9Very low34.8Very low154 Ų154134.8 Ų134.882%0.82473%0.725SS**  trans-163.196.5145.4-109.4-11.7000110.7
1311H33.1Very low34.6Very low190 Ų190131.5 Ų131.588%0.8872%0.721SS**  trans-75.8132.8153.4-99.1-71.6000107.8
1312N36.1Very low34.4Very low127 Ų127131.9 Ų131.968%0.67972%0.719SS**  trans-131.9153.6173.3-147.38.9000110
1313N34.7Very low34.3Very low111 Ų111136.3 Ų136.359%0.59472%0.719SS**  trans76.1100.6154.6-66.7-16.1000120.5
1314N34.7Very low34.5Very low116 Ų116135.7 Ų135.762%0.6272%0.715SS**  104.611595.4-76.9-8.8000120.7
1315N35Very low34.6Very low113 Ų113132.2 Ų132.260%0.60471%0.71SS**  88.5121.8113.6-70.4-6.9000121.3
1316N34.9Very low34.7Very low123 Ų123131.6 Ų131.666%0.65871%0.708SS**  75.4131.7124.9-64.9-2.9000116.8
1317N35.3Very low34.8Very low120 Ų120134.1 Ų134.164%0.64272%0.717SS**  cis-177.5166.328.1-119.1-16.1000109.3
1318N35.5Very low34.8Very low128 Ų128137.2 Ų137.268%0.68472%0.719SS**  trans69.8145.3156.8-60.9-26.6000118.8
1319R31.8Very low34.9Very low217 Ų217137.4 Ų137.482%0.81972%0.718SS**  cis-168.2157.6-30.7-127.5174.8-176.9-177.11.3107.6
1320S32.2Very low35.1Very low90 Ų90137.2 Ų137.263%0.62971%0.712SS**  trans62.3114147.959.50000122.9
1321I31.4Very low35.3Very low150 Ų150137.9 Ų137.977%0.76971%0.708SS**  81.2149.9117-63.8166.4000118.8
1322T35.2Very low35.7Very low118 Ų118132.1 Ų132.172%0.72469%0.689SS**  trans63.5142.2179510000116.7
1323E31Very low35.9Very low169 Ų169131.6 Ų131.679%0.7970%0.702SS**  cis173.8163.8-25.6-118.7175.1174.700105.1
1324S35Very low36Very low102 Ų102132.7 Ų132.771%0.71371%0.708SS**  trans72122.6158.466.40000120.9
1325T35.8Very low36Very low122 Ų122133.5 Ų133.575%0.74871%0.712SS**  trans84.8130.8135.245.10000123.3
1326D36.6Very low36.1Very low132 Ų132134.7 Ų134.771%0.70672%0.718SS**  trans76.994.3155.3-55.1-14.4000118.8
1327Q36.7Very low36.2Very low161 Ų161135.4 Ų135.475%0.75272%0.722SS**  91.8139.854.3-78.3-161.112.500114
1328K40.4Very low36.2Very low179 Ų179136.3 Ų136.378%0.77873%0.727SS**  trans70.7134.5174.7-58.8178.1-175.5174.50113.5
1329T39Very low36.3Very low115 Ų115136.9 Ų136.971%0.70673%0.73SS**  cis168.4151.82.832.50000102.7
1330F36.9Very low36.6Very low145 Ų145131.1 Ų131.164%0.63672%0.723SS**  cis-155.7162.2-1.7-139.7-112.8000108L793L793-F1330 HydrophobicContact CD1-CD1 3.89Å; L793-F1330 HydrophobicContact CD1-CD2 4.15Å; L793-F1330 HydrophobicContact CD1-CE1 3.61Å; L793-F1330 HydrophobicContact CD1-CE2 3.87Å; L793-F1330 HydrophobicContact CD1-CG 4.16Å; L793-F1330 HydrophobicContact CD1-CZ 3.58Å
1331K39.7Very low36.9Very low167 Ų167134.3 Ų134.373%0.72673%0.731SS**  trans-40.4163146.8-73.2172.5176.41780114.2
1332S41.2Very low37.4Very low70 Ų70133 Ų13349%0.4973%0.727SS.*  cis179.7126.9-15.952.60000111.6D789D789-S1332 VanDerWaalsContact OD2-C 3.3Å; D789-S1332 PolarHBondContact OD2-N 2.81Å
1333A40.7Very low37.6Very low116 Ų116134.4 Ų134.496%0.95973%0.728SS**  -1730122.800000110.9K785K785-A1333 HydrophobicContact CD-CB 4.46Å; K785-A1333 WeakPolarHBondContact CE-O 3.25Å; K785-A1333 WeakPolarHBondContact CE-OXT 3.3Å; K785-A1333 PolarHBondContact NZ-O 2.98Å; K785-A1333 PolarHBondContact NZ-OXT 2.89Å

Retrieved 1,333 of 1,333 residues in 2377.8 ms (Link to these results)

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