A0A087XL59_POEFO Loading...

Peroxisomal ATPase PEX1

AlphaFold DB , UniProt , Accession A0A087XL59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,240 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
1M38.1Very low64.6Low221 Ų221104.3 Ų104.3100%1.08951%0.51SS*.  0-29.30-86.3-177167.700113.3
2F41.5Very low66.6Low141 Ų14195.7 Ų95.762%0.61847%0.468SS*.G310 helixtrans-81-21.8-179.5-64-76.6000116.4R4 Q5F2-R4 VanDerWaalsContact C-N 3.26Å; F2-R4 PolarHBondContact O-N 3.07Å; F2-Q5 PolarHBondContact O-N 2.91Å
3S45.8Very low68.3Low113 Ų11390.9 Ų90.979%0.7945%0.448SS*.G310 helixtrans-69.4-16.5-176.971.60000115Q5S3-Q5 VanDerWaalsContact C-N 3.32Å
4R48.3Very low69.9Low241 Ų24186.6 Ų86.691%0.90943%0.425SS*.G310 helixtrans-80.4-10.6176.1-76.9-170177-172.3-1113.7F2F2-R4 VanDerWaalsContact C-N 3.26Å; F2-R4 PolarHBondContact O-N 3.07Å
5Q52.2Low71Confident139 Ų13984.7 Ų84.765%0.6542%0.418SS*.G310 helixtrans-105.76.3-179.7-69.8179.9-18.800113.1F2 S3 I7F2-Q5 PolarHBondContact O-N 2.91Å; S3-Q5 VanDerWaalsContact C-N 3.32Å; Q5-I7 VanDerWaalsContact C-N 3.26Å; Q5-I7 HydrophobicContact CB-CD1 4.29Å; Q5-I7 HydrophobicContact CB-CG1 4.35Å; Q5-I7 PolarHBondContact O-N 3.16Å
6G63Low71.9Confident23 Ų2387.9 Ų87.924%0.23744%0.437CS..THydrogen-bonded Turntrans70.916.7-178.100000114.5L32 P90G6-L32 VanDerWaalsContact O-CD2 3.27Å; G6-L32 WeakPolarHBondContact O-CD2 3.37Å; G6-P90 WeakPolarHBondContact O-CD 3.35Å
7I78.1Confident72.7Confident41 Ų4183.9 Ų83.921%0.2142%0.421CS..  trans-99.5120.8-179.1-56.7173.3000109.2Q5 F87 L88 K89Q5-I7 VanDerWaalsContact C-N 3.26Å; Q5-I7 HydrophobicContact CB-CD1 4.29Å; Q5-I7 HydrophobicContact CB-CG1 4.35Å; Q5-I7 PolarHBondContact O-N 3.16Å; I7-F87 HydrophobicContact CG2-CB 3.95Å; I7-F87 HydrophobicContact CG2-CD1 4.04Å; I7-F87 HydrophobicContact CG2-CG 4.35Å; I7-L88 WeakPolarHBondContact CA-O 3.21Å; I7-K89 HydrophobicContact CD1-CD 4.29Å; I7-K89 HydrophobicContact CG1-CB 4.24Å; I7-K89 HydrophobicContact CG1-CD 4.09Å; I7-K89 HydrophobicContact CG1-CG 4.12Å
8Q81.6Confident73.4Confident36 Ų3685.1 Ų85.117%0.16842%0.423CS..EExtended strand (participates in β ladder)trans-117.8126.6-179.1-171.1126.5-8.200111M28 L32 N66 F87 L88Q8-M28 HydrophobicContact CG-CE 4.24Å; Q8-L32 HydrophobicContact CB-CD1 4.2Å; Q8-L32 HydrophobicContact CB-CD2 4.02Å; Q8-L32 HydrophobicContact CB-CG 4.39Å; Q8-N66 PolarHBondContact NE2-OD1 3.48Å; Q8-F87 WeakPolarHBondContact O-CA 3.25Å; Q8-L88 PolarHBondContact N-O 2.79Å; Q8-L88 PolarHBondContact O-N 2.93Å
9P85.3Confident74.3Confident74 Ų7482.3 Ų82.348%0.48141%0.41SS..EExtended strand (participates in β ladder)trans-71138.1171.130-34.1000110.2G86 F87P9-G86 CarbonylContact C-O 3.56Å; P9-G86 WeakPolarHBondContact CA-O 3.37Å; P9-F87 HydrophobicContact CB-CD1 4.21Å; P9-F87 HydrophobicContact CB-CE1 4.11Å
10I88.9Confident74.9Confident7 Ų778.3 Ų78.34%0.03639%0.39CS..EExtended strand (participates in β ladder)trans-137.3161.3-176.161.9147.3000111.6V12 M28 L42 N66 V68 Q85 G86 L88I10-V12 HydrophobicContact CD1-CG2 3.92Å; I10-M28 HydrophobicContact CG2-CE 3.38Å; I10-M28 HydrophobicContact CG2-SD 4.33Å; I10-L42 HydrophobicContact CD1-CD1 3.7Å; I10-L42 HydrophobicContact CG1-CD1 4.46Å; I10-N66 WeakPolarHBondContact CA-O 3.38Å; I10-V68 HydrophobicContact CB-CG2 3.83Å; I10-V68 HydrophobicContact CD1-CB 3.77Å; I10-V68 HydrophobicContact CD1-CG1 4.26Å; I10-V68 HydrophobicContact CD1-CG2 3.72Å; I10-V68 HydrophobicContact CG1-CG2 4.41Å; I10-V68 HydrophobicContact CG2-CG2 3.73Å; I10-Q85 WeakPolarHBondContact O-CA 3.4Å; I10-G86 WeakPolarHBondContact CG1-O 3.33Å; I10-G86 PolarHBondContact N-O 2.99Å; I10-G86 PolarHBondContact O-N 2.66Å; I10-L88 HydrophobicContact CD1-CD1 3.97Å; I10-L88 HydrophobicContact CD1-CD2 4.19Å; I10-L88 HydrophobicContact CD1-CG 3.67Å; I10-L88 HydrophobicContact CG1-CD1 4.49Å; I10-L88 HydrophobicContact CG1-CG 4.04Å; I10-L88 HydrophobicContact CG2-CB 4.42Å; I10-L88 HydrophobicContact CG2-CD1 3.84Å; I10-L88 HydrophobicContact CG2-CG 4Å
11R88.1Confident75.7Confident111 Ų11175.1 Ų75.142%0.41937%0.374SS..EExtended strand (participates in β ladder)trans-113.2126.3166.5-173.817973.2-169.97.4109N66 D67 V68 E84R11-N66 PolarHBondContact N-O 2.69Å; R11-D67 IonicContact CZ-OD1 2.83Å; R11-D67 IonicContact CZ-OD2 3.15Å; R11-D67 IonicContact NE-OD1 2.81Å; R11-D67 PolarHBondContact NE-OD1 3.28Å; R11-D67 IonicContact NE-OD2 3.52Å; R11-D67 IonicContact NH2-OD1 3.31Å; R11-D67 PolarHBondContact NH2-OD1 2.95Å; R11-D67 VanDerWaalsContact NH2-OD1 3.08Å; R11-D67 IonicContact NH2-OD2 3.32Å; R11-D67 PolarHBondContact NH2-OD2 2.96Å; R11-D67 WeakPolarHBondContact O-CA 3.4Å; R11-V68 PolarHBondContact O-N 2.99Å; R11-E84 WeakPolarHBondContact CA-O 3.34Å
12V88.1Confident78.1Confident1 Ų164.6 Ų64.61%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-84126.9179.5-177.10000110I10 F14 V68 L70 G83 E84I10-V12 HydrophobicContact CD1-CG2 3.92Å; V12-F14 HydrophobicContact CG1-CD1 4.36Å; V12-F14 HydrophobicContact CG1-CE1 4.05Å; V12-V68 CarbonylContact C-O 3.58Å; V12-V68 WeakPolarHBondContact CA-O 3.36Å; V12-L70 HydrophobicContact CG1-CB 4.15Å; V12-G83 WeakPolarHBondContact O-CA 3.44Å; V12-G83 PolarHBondContact O-N 2.96Å; V12-E84 PolarHBondContact N-O 3.41Å
13V89.4Confident80.3Confident34 Ų3459 Ų5921%0.20630%0.298CS..EExtended strand (participates in β ladder)trans-118141.4176.7-179.60000108.8D67 V68 E69 L70V13-D67 HydrophobicContact CG2-CB 4.07Å; V13-V68 PolarHBondContact N-O 3.08Å; V13-E69 HydrophobicContact CB-CG 4.3Å; V13-E69 CarbonylContact O-C 3.33Å; V13-E69 VanDerWaalsContact O-CA 3.25Å; V13-E69 WeakPolarHBondContact O-CA 3.34Å; V13-L70 PolarHBondContact O-N 2.87Å
14F90.2Very high82.3Confident30 Ų3053.6 Ų53.613%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-91.2134.3-179.7-66.9-25.3000112.7V12 L70 R72 L80 E82V12-F14 HydrophobicContact CG1-CD1 4.36Å; V12-F14 HydrophobicContact CG1-CE1 4.05Å; F14-L70 CarbonylContact C-O 3.53Å; F14-L70 VanDerWaalsContact CA-O 3.29Å; F14-L70 WeakPolarHBondContact CA-O 3.31Å; F14-R72 HydrophobicContact CB-CB 4.02Å; F14-R72 HydrophobicContact CB-CG 4.33Å; F14-R72 HydrophobicContact CD2-CG 4.16Å; F14-R72 HydrophobicContact CG-CB 4.37Å; F14-R72 HydrophobicContact CG-CG 4.43Å; F14-L80 HydrophobicContact CE1-CB 4.22Å; F14-L80 HydrophobicContact CZ-CB 3.96Å; F14-L80 WeakPolarHBondContact CZ-O 3.38Å; F14-E82 HydrophobicContact CB-CG 4.48Å; F14-E82 HydrophobicContact CD2-CB 3.76Å; F14-E82 HydrophobicContact CD2-CG 4.25Å; F14-E82 HydrophobicContact CE2-CB 4.04Å; F14-E82 HydrophobicContact CG-CB 4.39Å; F14-E82 HydrophobicContact CG-CG 4.46Å
15N87.2Confident84Confident59 Ų5942.2 Ų42.232%0.31622%0.218SC..EExtended strand (participates in β ladder)trans-119.7161.4174.8-170.1-12.9000109.8A17 E69 L70 C71 R72N15-A17 VanDerWaalsContact C-N 3.27Å; N15-A17 PolarHBondContact OD1-N 3.33Å; N15-E69 HydrophobicContact CB-CB 4.32Å; N15-E69 PolarHBondContact ND2-OE2 3.31Å; N15-L70 PolarHBondContact N-O 3.4Å; N15-C71 CarbonylContact O-C 3.52Å; N15-C71 WeakPolarHBondContact O-CA 3.34Å; N15-R72 PolarHBondContact O-N 3.42Å
16N84.7Confident85.3Confident136 Ų13638.6 Ų38.673%0.72721%0.208SC*.  trans-9020173.7-65.5-25.7000112.9
17A84.8Confident86Confident20 Ų2039.2 Ų39.217%0.16521%0.207CC..  trans-62.1137.6175.800000111N15 N19 C71N15-A17 VanDerWaalsContact C-N 3.27Å; N15-A17 PolarHBondContact OD1-N 3.33Å; A17-N19 PolarHBondContact O-N 3.43Å; A17-C71 WeakPolarHBondContact O-CB 3.44Å; A17-C71 PolarHBondContact O-SG 2.94Å
18K86.7Confident86Confident105 Ų10537.3 Ų37.346%0.45720%0.197SC..SBendtrans-91.247.4-179.6-57.6-175.8-170.2-176.60111.7W140 S143K18-W140 VanDerWaalsContact C-CZ3 3.45Å; K18-W140 HydrophobicContact CB-CB 4.45Å; K18-W140 HydrophobicContact CB-CD2 3.86Å; K18-W140 HydrophobicContact CB-CE3 4.29Å; K18-W140 HydrophobicContact CB-CG 3.87Å; K18-W140 HydrophobicContact CG-CG 4.29Å; K18-W140 VanDerWaalsContact O-CE3 3.28Å; K18-S143 PolarHBondContact NZ-O 3.14Å
19N89.4Confident86Confident31 Ų3136.8 Ų36.817%0.16620%0.195CC..SBendtrans-147.4160.1175.658.521.9000110.8A17 F21 H23 C71A17-N19 PolarHBondContact O-N 3.43Å; N19-F21 VanDerWaalsContact C-N 3.31Å; N19-F21 HydrophobicContact CB-CD2 3.85Å; N19-F21 HydrophobicContact CB-CE2 4.18Å; N19-F21 HydrophobicContact CB-CG 4.41Å; N19-H23 PolarHBondContact OD1-NE2 2.86Å; N19-C71 VanDerWaalsContact O-CB 3.26Å; N19-C71 WeakPolarHBondContact O-CB 3.38Å
20C87.4Confident85.7Confident3 Ų337.4 Ų37.42%0.0220%0.201CC..SBendtrans-95.122.9179.6-63.60000112.7M74 Q127 I128 F137 P138C20-M74 HydrophobicContact CB-CE 3.8Å; C20-Q127 WeakPolarHBondContact CB-O 3.41Å; C20-Q127 PolarHBondContact N-O 2.98Å; C20-I128 HydrophobicContact CB-CG1 4.18Å; C20-F137 HydrophobicContact CB-CD1 4.44Å; C20-P138 PolarHBondContact SG-O 3.2Å; C20-P138 VanDerWaalsContact SG-O 3.41Å
21F91.4Very high85Confident11 Ų1143.6 Ų43.65%0.04823%0.23CC..  trans-91.8151.2-177.5-54.3-39.6000112.3N19 T53 T55 D126 R129N19-F21 VanDerWaalsContact C-N 3.31Å; N19-F21 HydrophobicContact CB-CD2 3.85Å; N19-F21 HydrophobicContact CB-CE2 4.18Å; N19-F21 HydrophobicContact CB-CG 4.41Å; F21-T53 WeakPolarHBondContact CA-O 3.49Å; F21-T53 WeakPolarHBondContact CD1-OG1 3.46Å; F21-T53 VanDerWaalsContact CE1-OG1 3.27Å; F21-T53 WeakPolarHBondContact CE1-OG1 3.49Å; F21-T55 HydrophobicContact CB-CG2 3.92Å; F21-T55 HydrophobicContact CD2-CG2 3.52Å; F21-T55 HydrophobicContact CE2-CG2 4.29Å; F21-T55 HydrophobicContact CG-CG2 3.92Å; F21-D126 WeakPolarHBondContact CE2-O 3.36Å; F21-D126 WeakPolarHBondContact CZ-O 3.46Å; F21-R129 HydrophobicContact CE1-CB 4.13Å; F21-R129 HydrophobicContact CE1-CG 3.75Å; F21-R129 HydrophobicContact CZ-CG 3.85Å
22L88.9Confident84.4Confident0 Ų038.8 Ų38.80%021%0.212CC..EExtended strand (participates in β ladder)trans-83.4117.2169.9-69.3170.6000109.8L24 L40 L42 L52 T53 W54 T55 V68 L70 L88L22-L24 PolarHBondContact O-N 3.23Å; L22-L40 HydrophobicContact CD1-CB 4.4Å; L22-L40 HydrophobicContact CD1-CD1 4.39Å; L22-L42 HydrophobicContact CD2-CD2 4.45Å; L22-L52 HydrophobicContact CD1-CB 3.78Å; L22-L52 HydrophobicContact CD1-CD1 4.16Å; L22-L52 HydrophobicContact CD2-CD1 3.92Å; L22-L52 HydrophobicContact CG-CB 3.9Å; L22-L52 HydrophobicContact CG-CD1 3.86Å; L22-T53 PolarHBondContact N-O 2.79Å; L22-W54 HydrophobicContact CB-CB 4.3Å; L22-W54 CarbonylContact O-C 3.57Å; L22-W54 WeakPolarHBondContact O-CA 3.42Å; L22-W54 WeakPolarHBondContact O-CB 3.38Å; L22-T55 PolarHBondContact O-N 2.87Å; L22-V68 HydrophobicContact CB-CG1 4.13Å; L22-V68 HydrophobicContact CD2-CG1 3.81Å; L22-V68 HydrophobicContact CG-CG1 4.48Å; L22-L70 HydrophobicContact CD2-CB 4.28Å; L22-L70 HydrophobicContact CD2-CD1 3.97Å; L22-L88 HydrophobicContact CD1-CD2 3.94Å
23H87.6Confident83.8Confident23 Ų2343.5 Ų43.511%0.10625%0.245CC..EExtended strand (participates in β ladder)trans-86.8112.4177.6-68.3-85.2000109.9N19 T55 N57 E69N19-H23 PolarHBondContact OD1-NE2 2.86Å; H23-T55 WeakPolarHBondContact CA-O 3.46Å; H23-T55 PolarHBondContact CE1-OG1 3.27Å; H23-T55 PolarHBondContact ND1-OG1 2.87Å; H23-N57 HydrophobicContact CB-CB 4.24Å; H23-E69 HydrophobicContact CB-CB 3.79Å; H23-E69 PolarHBondContact N-O 3.5Å; H23-E69 PolarHBondContact O-N 2.75Å
24L87.6Confident83.3Confident0 Ų042.7 Ų42.70%024%0.239CC..EExtended strand (participates in β ladder)trans-107.8142.1-174.6-62.2-179.6000112.6L22 M28 I29 L34 L40 W54 T55 N57 V68 L88L22-L24 PolarHBondContact O-N 3.23Å; L24-M28 HydrophobicContact CD2-CE 4.12Å; L24-I29 HydrophobicContact CB-CD1 4.18Å; L24-I29 HydrophobicContact CB-CG1 3.97Å; L24-I29 HydrophobicContact CD1-CG1 4.47Å; L24-L34 HydrophobicContact CD1-CD1 3.53Å; L24-L40 HydrophobicContact CD1-CD1 3.63Å; L24-W54 HydrophobicContact CD1-CB 3.65Å; L24-W54 HydrophobicContact CD1-CD2 4.1Å; L24-W54 HydrophobicContact CD1-CE3 4.27Å; L24-W54 HydrophobicContact CD1-CG 3.84Å; L24-W54 HydrophobicContact CG-CB 4.03Å; L24-T55 PolarHBondContact N-O 3.38Å; L24-N57 PolarHBondContact O-N 3.37Å; L24-V68 HydrophobicContact CD2-CB 4.11Å; L24-V68 HydrophobicContact CD2-CG1 3.61Å; L24-V68 HydrophobicContact CD2-CG2 3.44Å; L24-V68 VanDerWaalsContact CD2-CG2 3.44Å; L24-L88 HydrophobicContact CD2-CD1 3.72Å
25P84.1Confident82.5Confident3 Ų348.6 Ų48.62%0.01927%0.267CS..  trans-63.9149.2168.2-2031.5000112.8T27 M28 I29 D67P25-T27 PolarHBondContact O-N 3.23Å; P25-M28 HydrophobicContact CG-SD 4.32Å; P25-M28 PolarHBondContact O-N 3.18Å; P25-M28 VanDerWaalsContact O-N 3.16Å; P25-I29 WeakPolarHBondContact O-CG1 3.48Å; P25-I29 PolarHBondContact O-N 3.46Å; P25-I29 VanDerWaalsContact O-N 3.16Å; P25-D67 WeakPolarHBondContact CD-O 3.39Å; P25-D67 WeakPolarHBondContact CG-O 3.5Å
26S79.5Confident81.7Confident63 Ų6353.7 Ų53.744%0.44129%0.29SS..Hα-helixtrans-59.3-32.4179.356.20000113.6I29 S30S26-I29 PolarHBondContact O-N 3.33Å; S26-S30 PolarHBondContact O-N 3.03Å; S26-S30 VanDerWaalsContact O-N 3.11Å
27T77.6Confident80.8Confident36 Ų3650 Ų5022%0.22127%0.27CS..Hα-helixtrans-64.8-46.5176.150.40000111.4P25 I29 S30 H31 P63P25-T27 PolarHBondContact O-N 3.23Å; T27-I29 PolarHBondContact O-N 3.46Å; T27-S30 PolarHBondContact O-N 2.93Å; T27-S30 PolarHBondContact O-OG 3.01Å; T27-H31 PolarHBondContact O-CD2 2.88Å; T27-H31 PolarHBondContact O-N 2.95Å; T27-P63 WeakPolarHBondContact CB-O 3.49Å; T27-P63 HydrophobicContact CG2-CB 4.44Å; T27-P63 WeakPolarHBondContact CG2-O 3.33Å; T27-P63 PolarHBondContact OG1-O 2.89Å
28M78.1Confident80.7Confident0 Ų050.5 Ų50.50%027%0.269CS..Hα-helixtrans-64.4-38.6176.7-77.4-176.958.600113Q8 I10 L24 P25 S30 H31 L32 V68 L88Q8-M28 HydrophobicContact CG-CE 4.24Å; I10-M28 HydrophobicContact CG2-CE 3.38Å; I10-M28 HydrophobicContact CG2-SD 4.33Å; L24-M28 HydrophobicContact CD2-CE 4.12Å; P25-M28 HydrophobicContact CG-SD 4.32Å; P25-M28 PolarHBondContact O-N 3.18Å; P25-M28 VanDerWaalsContact O-N 3.16Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3.4Å; M28-H31 PolarHBondContact O-N 3.07Å; M28-L32 HydrophobicContact CE-CD1 4.49Å; M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 PolarHBondContact O-N 2.94Å; M28-V68 HydrophobicContact CE-CG2 3.8Å; M28-V68 HydrophobicContact SD-CG2 4.15Å; M28-L88 HydrophobicContact CE-CD1 3.98Å
29I81.4Confident80.7Confident25 Ų2545.7 Ų45.713%0.12825%0.248CC..Hα-helixtrans-59.6-44.6175.8-66.5160.3000110.2L24 P25 S26 T27 S33 L34 W54 Q56L24-I29 HydrophobicContact CB-CD1 4.18Å; L24-I29 HydrophobicContact CB-CG1 3.97Å; L24-I29 HydrophobicContact CD1-CG1 4.47Å; P25-I29 WeakPolarHBondContact O-CG1 3.48Å; P25-I29 PolarHBondContact O-N 3.46Å; P25-I29 VanDerWaalsContact O-N 3.16Å; S26-I29 PolarHBondContact O-N 3.33Å; T27-I29 PolarHBondContact O-N 3.46Å; I29-S33 PolarHBondContact O-N 2.86Å; I29-L34 HydrophobicContact CG2-CB 4.39Å; I29-L34 PolarHBondContact O-N 3.15Å; I29-W54 HydrophobicContact CD1-CE3 3.92Å; I29-W54 HydrophobicContact CD1-CH2 3.99Å; I29-W54 HydrophobicContact CD1-CZ3 3.31Å; I29-W54 HydrophobicContact CG1-CE3 4.03Å; I29-W54 HydrophobicContact CG1-CH2 4.02Å; I29-W54 HydrophobicContact CG1-CZ3 3.64Å; I29-W54 HydrophobicContact CG2-CH2 3.72Å; I29-W54 HydrophobicContact CG2-CZ2 4.3Å; I29-W54 HydrophobicContact CG2-CZ3 4.2Å; I29-Q56 HydrophobicContact CD1-CB 4.04Å; I29-Q56 HydrophobicContact CD1-CG 3.91Å
30S77.8Confident80.6Confident87 Ų8744.2 Ų44.261%0.60824%0.24SC*.Hα-helixtrans-67.6-36.8176.672.60000113.2S26 T27 M28S26-S30 PolarHBondContact O-N 3.03Å; S26-S30 VanDerWaalsContact O-N 3.11Å; T27-S30 PolarHBondContact O-N 2.93Å; T27-S30 PolarHBondContact O-OG 3.01Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3.4Å
31H75.8Confident80.7Confident138 Ų13845.9 Ų45.964%0.63925%0.248SC*.Hα-helixtrans-70.4-36.6178.4-83.3-64000113.3T27 M28T27-H31 PolarHBondContact O-CD2 2.88Å; T27-H31 PolarHBondContact O-N 2.95Å; M28-H31 PolarHBondContact O-N 3.07Å
32L74.9Confident80.6Confident10 Ų1045.4 Ų45.45%0.05225%0.245CC..Hα-helixtrans-90.6-2.7179.6-71172.5000113G6 Q8 M28 L34G6-L32 VanDerWaalsContact O-CD2 3.27Å; G6-L32 WeakPolarHBondContact O-CD2 3.37Å; Q8-L32 HydrophobicContact CB-CD1 4.2Å; Q8-L32 HydrophobicContact CB-CD2 4.02Å; Q8-L32 HydrophobicContact CB-CG 4.39Å; M28-L32 HydrophobicContact CE-CD1 4.49Å; M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 PolarHBondContact O-N 2.94Å; L32-L34 VanDerWaalsContact C-N 3.26Å; L32-L34 HydrophobicContact CB-CD1 4.13Å; L32-L34 HydrophobicContact CB-CD2 3.87Å; L32-L34 HydrophobicContact CB-CG 3.67Å; L32-L34 HydrophobicContact CD1-CD1 4.29Å; L32-L34 PolarHBondContact O-N 2.83Å
33S75.3Confident80.6Confident100 Ų10047.1 Ų47.170%0.69926%0.258SS*.THydrogen-bonded Turntrans50.743-177.758.50000113.2I29I29-S33 PolarHBondContact O-N 2.86Å
34L78.9Confident80.6Confident16 Ų1647.1 Ų47.18%0.08426%0.257CS..PPolyproline II helixtrans-75134.8-173.7-59.5177.3000111.5L24 I29 L32 L40 W54 P90L24-L34 HydrophobicContact CD1-CD1 3.53Å; I29-L34 HydrophobicContact CG2-CB 4.39Å; I29-L34 PolarHBondContact O-N 3.15Å; L32-L34 VanDerWaalsContact C-N 3.26Å; L32-L34 HydrophobicContact CB-CD1 4.13Å; L32-L34 HydrophobicContact CB-CD2 3.87Å; L32-L34 HydrophobicContact CB-CG 3.67Å; L32-L34 HydrophobicContact CD1-CD1 4.29Å; L32-L34 PolarHBondContact O-N 2.83Å; L34-L40 HydrophobicContact CD1-CD1 4.12Å; L34-L40 HydrophobicContact CD1-CD2 4.07Å; L34-L40 HydrophobicContact CD2-CD2 3.58Å; L34-L40 HydrophobicContact CG-CD2 4.48Å; L34-W54 HydrophobicContact CB-CH2 4.44Å; L34-W54 HydrophobicContact CB-CZ2 3.51Å; L34-W54 HydrophobicContact CD1-CD2 4.2Å; L34-W54 HydrophobicContact CD1-CG 4.27Å; L34-W54 HydrophobicContact CD1-CZ2 4.49Å; L34-P90 HydrophobicContact CD2-CB 3.86Å
35Q73.8Confident79.7Confident154 Ų15453.2 Ų53.272%0.7229%0.289SS*.PPolyproline II helixtrans-89.3154.9168.7-65.7-165.7-17.100111.1N37 Q38 W54Q35-N37 PolarHBondContact O-N 3.14Å; Q35-Q38 VanDerWaalsContact N-OE1 3.14Å; Q35-Q38 VanDerWaalsContact O-CB 3.23Å; Q35-Q38 WeakPolarHBondContact O-CB 3.37Å; Q35-Q38 PolarHBondContact O-N 3.46Å; Q35-Q38 VanDerWaalsContact O-N 3.15Å; Q35-W54 VanDerWaalsContact O-CZ2 3.26Å; Q35-W54 WeakPolarHBondContact O-CZ2 3.45Å; Q35-W54 PolarHBondContact O-NE1 3.2Å
36E69.2Low78.9Confident167 Ų16761.7 Ų61.778%0.7833%0.334SS*.THydrogen-bonded Turntrans-56.9134.1176.3-70.6-173.8169.400110.9Q38E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 3.05Å
37N67.5Low78.7Confident58 Ų5860.2 Ų60.231%0.3133%0.326SS..THydrogen-bonded Turntrans66.219.1-177.1-51.3-61.8000115.8Q35Q35-N37 PolarHBondContact O-N 3.14Å
38Q81.8Confident78.8Confident31 Ų3163.4 Ų63.415%0.14535%0.347CS..  trans-72.5140.7172.1-168.617210.400111.7Q35 E36 C91Q35-Q38 VanDerWaalsContact N-OE1 3.14Å; Q35-Q38 VanDerWaalsContact O-CB 3.23Å; Q35-Q38 WeakPolarHBondContact O-CB 3.37Å; Q35-Q38 PolarHBondContact O-N 3.46Å; Q35-Q38 VanDerWaalsContact O-N 3.15Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 3.05Å; Q38-C91 PolarHBondContact NE2-O 2.91Å
39T85.9Confident79.1Confident3 Ų366 Ų662%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-82.7138.7176.1-500000111F51 C91 V94 V130T39-F51 HydrophobicContact CG2-CB 4Å; T39-C91 WeakPolarHBondContact O-CB 3.29Å; T39-C91 PolarHBondContact O-N 3.39Å; T39-V94 WeakPolarHBondContact OG1-CG2 3.02Å; T39-V130 HydrophobicContact CG2-CB 4.46Å; T39-V130 HydrophobicContact CG2-CG1 3.94Å; T39-V130 HydrophobicContact CG2-CG2 4.11Å; T39-V130 WeakPolarHBondContact OG1-CG2 3.19Å
40L89.1Confident79.4Confident0 Ų065.1 Ų65.10%036%0.36CS..EExtended strand (participates in β ladder)trans-115.7137.8176.1-56.2179.9000110.3L22 L24 L34 F51 L52 W54 L88 P90L22-L40 HydrophobicContact CD1-CB 4.4Å; L22-L40 HydrophobicContact CD1-CD1 4.39Å; L24-L40 HydrophobicContact CD1-CD1 3.63Å; L34-L40 HydrophobicContact CD1-CD1 4.12Å; L34-L40 HydrophobicContact CD1-CD2 4.07Å; L34-L40 HydrophobicContact CD2-CD2 3.58Å; L34-L40 HydrophobicContact CG-CD2 4.48Å; L40-F51 WeakPolarHBondContact O-CA 3.34Å; L40-L52 PolarHBondContact N-O 2.81Å; L40-L52 PolarHBondContact O-N 2.96Å; L40-W54 HydrophobicContact CD1-CB 3.76Å; L40-W54 HydrophobicContact CD1-CG 3.98Å; L40-L88 HydrophobicContact CB-CD2 4.32Å; L40-L88 HydrophobicContact CD1-CD1 4.4Å; L40-P90 HydrophobicContact CD2-CB 4.13Å
41E89.2Confident80Confident39 Ų3962.2 Ų62.218%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-87.8117.4168.5-175.8-176.3176.200108.2P49 F51 L88 K89E41-P49 HydrophobicContact CG-CB 3.78Å; E41-F51 HydrophobicContact CB-CD1 4.23Å; E41-F51 HydrophobicContact CB-CE1 4.05Å; E41-F51 HydrophobicContact CG-CD1 4.44Å; E41-F51 HydrophobicContact CG-CE1 3.89Å; E41-L88 WeakPolarHBondContact O-CA 3.47Å; E41-K89 HydrophobicContact CB-CB 4.29Å; E41-K89 PolarHBondContact N-O 2.86Å; E41-K89 PolarHBondContact O-N 3.19Å; E41-K89 IonicContact OE2-NZ 3.72Å; E41-K89 PolarHBondContact OE2-NZ 3.11Å
42L89.6Confident80.6Confident0 Ų055.8 Ų55.80%031%0.307CS..EExtended strand (participates in β ladder)trans-102.6121.9172.6177.163.2000109I10 L22 W44 P49 V50 L80 L88I10-L42 HydrophobicContact CD1-CD1 3.7Å; I10-L42 HydrophobicContact CG1-CD1 4.46Å; L22-L42 HydrophobicContact CD2-CD2 4.45Å; L42-W44 HydrophobicContact CD2-CE3 4.42Å; L42-W44 HydrophobicContact CD2-CZ3 4.4Å; L42-W44 HydrophobicContact CG-CE3 4.05Å; L42-W44 HydrophobicContact CG-CZ3 4.26Å; L42-P49 WeakPolarHBondContact O-CA 3.39Å; L42-V50 PolarHBondContact N-O 3.14Å; L42-V50 PolarHBondContact O-N 3.25Å; L42-L80 HydrophobicContact CD2-CD1 4.07Å; L42-L88 HydrophobicContact CB-CD2 4.07Å; L42-L88 HydrophobicContact CD1-CD2 3.8Å; L42-L88 HydrophobicContact CD1-CG 4.45Å
43S88.1Confident81.3Confident37 Ų3755.6 Ų55.626%0.25931%0.306SS..EExtended strand (participates in β ladder)trans-125.8134.9177.756.70000111.1G86 F87S43-G86 CarbonylContact O-C 3.6Å; S43-G86 VanDerWaalsContact O-CA 3.24Å; S43-G86 WeakPolarHBondContact O-CA 3.38Å; S43-F87 PolarHBondContact N-O 2.93Å; S43-F87 PolarHBondContact O-N 2.94Å; S43-F87 PolarHBondContact OG-O 2.8Å
44W88.1Confident82Confident23 Ų2352 Ų529%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-146.4155.7178.671.5100.5000110.4L42 N46 A47 V50 L78 L80 E84L42-W44 HydrophobicContact CD2-CE3 4.42Å; L42-W44 HydrophobicContact CD2-CZ3 4.4Å; L42-W44 HydrophobicContact CG-CE3 4.05Å; L42-W44 HydrophobicContact CG-CZ3 4.26Å; W44-N46 PolarHBondContact O-N 3.41Å; W44-A47 HydrophobicContact CD2-CB 4.14Å; W44-A47 HydrophobicContact CZ2-CB 3.92Å; W44-A47 WeakPolarHBondContact O-CB 3.21Å; W44-A47 PolarHBondContact O-N 3.25Å; W44-V50 HydrophobicContact CH2-CB 4.26Å; W44-V50 HydrophobicContact CH2-CG2 3.46Å; W44-V50 VanDerWaalsContact CH2-CG2 3.46Å; W44-V50 HydrophobicContact CZ3-CB 3.95Å; W44-V50 HydrophobicContact CZ3-CG2 3.61Å; W44-L78 HydrophobicContact CH2-CB 4.29Å; W44-L78 WeakPolarHBondContact CZ2-O 3.35Å; W44-L80 HydrophobicContact CB-CD2 4.36Å; W44-L80 HydrophobicContact CD2-CD2 3.39Å; W44-L80 HydrophobicContact CD2-CG 4.18Å; W44-L80 VanDerWaalsContact CE2-CD2 3.44Å; W44-L80 HydrophobicContact CE3-CD2 3.91Å; W44-L80 HydrophobicContact CG-CD2 3.58Å; W44-L80 HydrophobicContact CH2-CD1 4.49Å; W44-L80 HydrophobicContact CH2-CD2 4.46Å; W44-L80 HydrophobicContact CH2-CG 4.26Å; W44-L80 HydrophobicContact CZ2-CD2 4.02Å; W44-L80 HydrophobicContact CZ2-CG 3.88Å; W44-L80 HydrophobicContact CZ3-CD2 4.41Å; W44-E84 VanDerWaalsContact CD1-OE1 3.28Å
45D68.2Low82.4Confident127 Ų12753.1 Ų53.168%0.67929%0.285SS*.THydrogen-bonded Turntrans10.677.5174-76.7-5.7000117.8A47D45-A47 PolarHBondContact O-N 3.43Å
46N66.7Low82.8Confident181 Ų18150.7 Ų50.797%0.96827%0.273SS*.THydrogen-bonded Turntrans50.713.2176.9-71.5-23.7000116.3W44W44-N46 PolarHBondContact O-N 3.41Å
47A75.9Confident83.1Confident32 Ų3243.6 Ų43.626%0.26424%0.241SC..PPolyproline II helixtrans-82.2155.6175.600000110.9W44 D45W44-A47 HydrophobicContact CD2-CB 4.14Å; W44-A47 HydrophobicContact CZ2-CB 3.92Å; W44-A47 WeakPolarHBondContact O-CB 3.21Å; W44-A47 PolarHBondContact O-N 3.25Å; D45-A47 PolarHBondContact O-N 3.43Å
48P79.1Confident82.8Confident103 Ų10351.9 Ų51.967%0.66927%0.268SS*.PPolyproline II helixtrans-61140.3172.726.2-33.6000110.4
49P84.3Confident81.4Confident54 Ų5454.7 Ų54.735%0.35130%0.296SS..PPolyproline II helixtrans-64.1138.8179.227-33.8000110.6E41 L42 F51E41-P49 HydrophobicContact CG-CB 3.78Å; L42-P49 WeakPolarHBondContact O-CA 3.39Å; P49-F51 HydrophobicContact CG-CZ 4.45Å
50V87.8Confident79.8Confident8 Ų856.9 Ų56.95%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-108.6142.1179.2175.90000110L42 W44 L52 L78 F132L42-V50 PolarHBondContact N-O 3.14Å; L42-V50 PolarHBondContact O-N 3.25Å; W44-V50 HydrophobicContact CH2-CB 4.26Å; W44-V50 HydrophobicContact CH2-CG2 3.46Å; W44-V50 VanDerWaalsContact CH2-CG2 3.46Å; W44-V50 HydrophobicContact CZ3-CB 3.95Å; W44-V50 HydrophobicContact CZ3-CG2 3.61Å; V50-L52 HydrophobicContact CG1-CD1 4.34Å; V50-L52 HydrophobicContact CG1-CD2 4.25Å; V50-L52 HydrophobicContact CG1-CG 3.99Å; V50-L78 HydrophobicContact CG1-CD1 4.01Å; V50-L78 HydrophobicContact CG1-CD2 4.11Å; V50-L78 HydrophobicContact CG2-CD2 4.17Å; V50-F132 HydrophobicContact CG1-CD1 4.43Å; V50-F132 HydrophobicContact CG1-CE1 3.55Å; V50-F132 HydrophobicContact CG1-CZ 3.65Å; V50-F132 HydrophobicContact CG2-CZ 4.3Å
51F90.1Very high77.8Confident26 Ų2662.8 Ų62.811%0.11435%0.353CS..EExtended strand (participates in β ladder)trans-108.4115.2-177.1-56.2-81.3000109.9T39 L40 E41 P49 V130 F132 Y160T39-F51 HydrophobicContact CG2-CB 4Å; L40-F51 WeakPolarHBondContact O-CA 3.34Å; E41-F51 HydrophobicContact CB-CD1 4.23Å; E41-F51 HydrophobicContact CB-CE1 4.05Å; E41-F51 HydrophobicContact CG-CD1 4.44Å; E41-F51 HydrophobicContact CG-CE1 3.89Å; P49-F51 HydrophobicContact CG-CZ 4.45Å; F51-V130 HydrophobicContact CB-CG1 4.16Å; F51-F132 HydrophobicContact CD2-CB 4.23Å; F51-Y160 HydrophobicContact CB-CD2 4.48Å; F51-Y160 HydrophobicContact CB-CG 4.15Å; F51-Y160 AromaticContact CD1-CD1 3.69Å; F51-Y160 HydrophobicContact CD1-CD1 3.69Å; F51-Y160 HydrophobicContact CD1-CD2 4.28Å; F51-Y160 AromaticContact CD1-CE1 3.8Å; F51-Y160 HydrophobicContact CD1-CE1 3.8Å; F51-Y160 HydrophobicContact CD1-CE2 4.38Å; F51-Y160 AromaticContact CD1-CG 3.94Å; F51-Y160 HydrophobicContact CD1-CG 3.94Å; F51-Y160 AromaticContact CD2-CD1 3.6Å; F51-Y160 HydrophobicContact CD2-CD1 3.6Å; F51-Y160 HydrophobicContact CD2-CE1 4.43Å; F51-Y160 AromaticContact CD2-CG 3.82Å; F51-Y160 HydrophobicContact CD2-CG 3.82Å; F51-Y160 AromaticContact CE1-CD1 3.6Å; F51-Y160 HydrophobicContact CE1-CD1 3.6Å; F51-Y160 AromaticContact CE1-CE1 3.43Å; F51-Y160 HydrophobicContact CE1-CE1 3.43Å; F51-Y160 VanDerWaalsContact CE1-CE1 3.43Å; F51-Y160 HydrophobicContact CE1-CG 4.32Å; F51-Y160 AromaticContact CE2-CD1 3.51Å; F51-Y160 HydrophobicContact CE2-CD1 3.51Å; F51-Y160 HydrophobicContact CE2-CE1 4.13Å; F51-Y160 HydrophobicContact CE2-CG 4.21Å; F51-Y160 AromaticContact CG-CD1 3.69Å; F51-Y160 HydrophobicContact CG-CD1 3.69Å; F51-Y160 HydrophobicContact CG-CD2 4.26Å; F51-Y160 HydrophobicContact CG-CE1 4.29Å; F51-Y160 AromaticContact CG-CG 3.67Å; F51-Y160 HydrophobicContact CG-CG 3.67Å; F51-Y160 AromaticContact CZ-CD1 3.51Å; F51-Y160 HydrophobicContact CZ-CD1 3.51Å; F51-Y160 AromaticContact CZ-CE1 3.61Å; F51-Y160 HydrophobicContact CZ-CE1 3.61Å; F51-Y160 HydrophobicContact CZ-CG 4.45Å
52L89.3Confident76.2Confident3 Ų365.7 Ų65.72%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-130.2157.8-179.6-63172.8000110.5L22 L40 V50 L70 M74 L78L22-L52 HydrophobicContact CD1-CB 3.78Å; L22-L52 HydrophobicContact CD1-CD1 4.16Å; L22-L52 HydrophobicContact CD2-CD1 3.92Å; L22-L52 HydrophobicContact CG-CB 3.9Å; L22-L52 HydrophobicContact CG-CD1 3.86Å; L40-L52 PolarHBondContact N-O 2.81Å; L40-L52 PolarHBondContact O-N 2.96Å; V50-L52 HydrophobicContact CG1-CD1 4.34Å; V50-L52 HydrophobicContact CG1-CD2 4.25Å; V50-L52 HydrophobicContact CG1-CG 3.99Å; L52-L70 HydrophobicContact CD1-CD1 3.99Å; L52-M74 HydrophobicContact CD2-CE 4.25Å; L52-L78 HydrophobicContact CD1-CD1 4.4Å
53T89.4Confident74.7Confident6 Ų668.8 Ų68.84%0.03739%0.39CS..EExtended strand (participates in β ladder)trans-94.5163.2169.539.60000109.8F21 L22 R129 V130F21-T53 WeakPolarHBondContact CA-O 3.49Å; F21-T53 WeakPolarHBondContact CD1-OG1 3.46Å; F21-T53 VanDerWaalsContact CE1-OG1 3.27Å; F21-T53 WeakPolarHBondContact CE1-OG1 3.49Å; L22-T53 PolarHBondContact N-O 2.79Å; T53-R129 HydrophobicContact CG2-CB 3.95Å; T53-V130 HydrophobicContact CG2-CB 4.29Å; T53-V130 HydrophobicContact CG2-CG2 3.54Å
54W90.1Very high73.1Confident23 Ų2374.6 Ų74.69%0.08741%0.413CS..EExtended strand (participates in β ladder)trans-119.5154.7-176.169.7-88.6000112.7L22 L24 I29 L34 Q35 L40 Q56L22-W54 HydrophobicContact CB-CB 4.3Å; L22-W54 CarbonylContact O-C 3.57Å; L22-W54 WeakPolarHBondContact O-CA 3.42Å; L22-W54 WeakPolarHBondContact O-CB 3.38Å; L24-W54 HydrophobicContact CD1-CB 3.65Å; L24-W54 HydrophobicContact CD1-CD2 4.1Å; L24-W54 HydrophobicContact CD1-CE3 4.27Å; L24-W54 HydrophobicContact CD1-CG 3.84Å; L24-W54 HydrophobicContact CG-CB 4.03Å; I29-W54 HydrophobicContact CD1-CE3 3.92Å; I29-W54 HydrophobicContact CD1-CH2 3.99Å; I29-W54 HydrophobicContact CD1-CZ3 3.31Å; I29-W54 HydrophobicContact CG1-CE3 4.03Å; I29-W54 HydrophobicContact CG1-CH2 4.02Å; I29-W54 HydrophobicContact CG1-CZ3 3.64Å; I29-W54 HydrophobicContact CG2-CH2 3.72Å; I29-W54 HydrophobicContact CG2-CZ2 4.3Å; I29-W54 HydrophobicContact CG2-CZ3 4.2Å; L34-W54 HydrophobicContact CB-CH2 4.44Å; L34-W54 HydrophobicContact CB-CZ2 3.51Å; L34-W54 HydrophobicContact CD1-CD2 4.2Å; L34-W54 HydrophobicContact CD1-CG 4.27Å; L34-W54 HydrophobicContact CD1-CZ2 4.49Å; Q35-W54 VanDerWaalsContact O-CZ2 3.26Å; Q35-W54 WeakPolarHBondContact O-CZ2 3.45Å; Q35-W54 PolarHBondContact O-NE1 3.2Å; L40-W54 HydrophobicContact CD1-CB 3.76Å; L40-W54 HydrophobicContact CD1-CG 3.98Å; W54-Q56 HydrophobicContact CZ3-CB 4.42Å
55T86.6Confident72.4Confident40 Ų4074.7 Ų74.725%0.24542%0.417CS..EExtended strand (participates in β ladder)trans-132.2152.3171.946.30000110.2F21 L22 H23 L24 N57F21-T55 HydrophobicContact CB-CG2 3.92Å; F21-T55 HydrophobicContact CD2-CG2 3.52Å; F21-T55 HydrophobicContact CE2-CG2 4.29Å; F21-T55 HydrophobicContact CG-CG2 3.92Å; L22-T55 PolarHBondContact O-N 2.87Å; H23-T55 WeakPolarHBondContact CA-O 3.46Å; H23-T55 PolarHBondContact CE1-OG1 3.27Å; H23-T55 PolarHBondContact ND1-OG1 2.87Å; L24-T55 PolarHBondContact N-O 3.38Å; T55-N57 PolarHBondContact O-N 3.26Å
56Q82.7Confident73Confident103 Ų10372.2 Ų72.248%0.48140%0.404SS..EExtended strand (participates in β ladder)trans-75.9125.9179.7-174.5179.411.700110.9I29 W54 R58I29-Q56 HydrophobicContact CD1-CB 4.04Å; I29-Q56 HydrophobicContact CD1-CG 3.91Å; W54-Q56 HydrophobicContact CZ3-CB 4.42Å; Q56-R58 PolarHBondContact O-N 2.76Å
57N75.3Confident73.9Confident18 Ų1865.5 Ų65.510%0.09637%0.368CS..  trans-74.2116.7172.6-167.5-10.1000109.9H23 L24 T55 A59 E69H23-N57 HydrophobicContact CB-CB 4.24Å; L24-N57 PolarHBondContact O-N 3.37Å; T55-N57 PolarHBondContact O-N 3.26Å; N57-A59 PolarHBondContact OD1-N 3.45Å; N57-E69 PolarHBondContact ND2-OE1 2.76Å
58R61.6Low74.4Confident233 Ų23364 Ų6488%0.87936%0.355SS*.SBendtrans-94.6-6.9177.3-65.4-174.3179.8-175.20.7113.3Q56Q56-R58 PolarHBondContact O-N 2.76Å
59A52.4Low74.9Confident90 Ų9060.9 Ų60.974%0.74433%0.332SS*.SBendtrans-109.6-8.4-166.100000114.9N57N57-A59 PolarHBondContact OD1-N 3.45Å
60S52Low75.2Confident48 Ų4858.3 Ų58.334%0.33632%0.315SS..  trans-82.4130.5-178.674.20000112.5D62S60-D62 VanDerWaalsContact C-N 3.31Å
61S47.2Very low75.3Confident125 Ų12558.1 Ų58.187%0.87431%0.314SS*.SBendtrans-80.9-6.718045.70000114
62D56.3Low75.2Confident100 Ų10062.9 Ų62.954%0.53533%0.331SS..  trans-122.295.5-173.2-143.3-9.5000111.2S60 H64 S65S60-D62 VanDerWaalsContact C-N 3.31Å; D62-H64 PolarHBondContact O-N 3.29Å; D62-H64 VanDerWaalsContact O-N 3.17Å; D62-S65 PolarHBondContact O-OG 3.33Å
63P57.5Low75.2Confident64 Ų6465.8 Ų65.842%0.41635%0.345SS..THydrogen-bonded Turntrans-71.5-7.6-17326.1-32.8000114.2T27T27-P63 WeakPolarHBondContact CB-O 3.49Å; T27-P63 HydrophobicContact CG2-CB 4.44Å; T27-P63 WeakPolarHBondContact CG2-O 3.33Å; T27-P63 PolarHBondContact OG1-O 2.89Å
64H55.4Low75.2Confident159 Ų15965.5 Ų65.574%0.73634%0.343SS*.THydrogen-bonded Turntrans-106.20.7-176.2-67.6-56.8000114.7D62D62-H64 PolarHBondContact O-N 3.29Å; D62-H64 VanDerWaalsContact O-N 3.17Å
65S73.2Confident75Confident26 Ų2664.4 Ų64.418%0.18234%0.339CS..  trans-78.7138.3176.868.60000111.2D62 D67D62-S65 PolarHBondContact O-OG 3.33Å; S65-D67 PolarHBondContact O-N 3.41Å
66N80.2Confident75Confident75 Ų7567.4 Ų67.440%0.40135%0.35SS..  trans-84.833.9169.5-68.5-45.8000110.9Q8 I10 R11Q8-N66 PolarHBondContact NE2-OD1 3.48Å; I10-N66 WeakPolarHBondContact CA-O 3.38Å; R11-N66 PolarHBondContact N-O 2.69Å
67D85.4Confident75.1Confident39 Ų3967.3 Ų67.321%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-87.6129.4-178.4-69.4-15.4000109.5R11 V13 P25 S65R11-D67 IonicContact CZ-OD1 2.83Å; R11-D67 IonicContact CZ-OD2 3.15Å; R11-D67 IonicContact NE-OD1 2.81Å; R11-D67 PolarHBondContact NE-OD1 3.28Å; R11-D67 IonicContact NE-OD2 3.52Å; R11-D67 IonicContact NH2-OD1 3.31Å; R11-D67 PolarHBondContact NH2-OD1 2.95Å; R11-D67 VanDerWaalsContact NH2-OD1 3.08Å; R11-D67 IonicContact NH2-OD2 3.32Å; R11-D67 PolarHBondContact NH2-OD2 2.96Å; R11-D67 WeakPolarHBondContact O-CA 3.4Å; V13-D67 HydrophobicContact CG2-CB 4.07Å; P25-D67 WeakPolarHBondContact CD-O 3.39Å; P25-D67 WeakPolarHBondContact CG-O 3.5Å; S65-D67 PolarHBondContact O-N 3.41Å
68V87Confident75.5Confident0 Ų067.9 Ų67.90%035%0.351CS..EExtended strand (participates in β ladder)trans-116.61221781750000108.4I10 R11 V12 V13 L22 L24 M28 L88I10-V68 HydrophobicContact CB-CG2 3.83Å; I10-V68 HydrophobicContact CD1-CB 3.77Å; I10-V68 HydrophobicContact CD1-CG1 4.26Å; I10-V68 HydrophobicContact CD1-CG2 3.72Å; I10-V68 HydrophobicContact CG1-CG2 4.41Å; I10-V68 HydrophobicContact CG2-CG2 3.73Å; R11-V68 PolarHBondContact O-N 2.99Å; V12-V68 CarbonylContact C-O 3.58Å; V12-V68 WeakPolarHBondContact CA-O 3.36Å; V13-V68 PolarHBondContact N-O 3.08Å; L22-V68 HydrophobicContact CB-CG1 4.13Å; L22-V68 HydrophobicContact CD2-CG1 3.81Å; L22-V68 HydrophobicContact CG-CG1 4.48Å; L24-V68 HydrophobicContact CD2-CB 4.11Å; L24-V68 HydrophobicContact CD2-CG1 3.61Å; L24-V68 HydrophobicContact CD2-CG2 3.44Å; L24-V68 VanDerWaalsContact CD2-CG2 3.44Å; M28-V68 HydrophobicContact CE-CG2 3.8Å; M28-V68 HydrophobicContact SD-CG2 4.15Å; V68-L88 HydrophobicContact CG2-CD1 3.97Å
69E88.9Confident76.4Confident39 Ų3959.1 Ų59.118%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-89.8131.9-177.2-77.5173.5-145.500110.8V13 N15 H23 N57V13-E69 HydrophobicContact CB-CG 4.3Å; V13-E69 CarbonylContact O-C 3.33Å; V13-E69 VanDerWaalsContact O-CA 3.25Å; V13-E69 WeakPolarHBondContact O-CA 3.34Å; N15-E69 HydrophobicContact CB-CB 4.32Å; N15-E69 PolarHBondContact ND2-OE2 3.31Å; H23-E69 HydrophobicContact CB-CB 3.79Å; H23-E69 PolarHBondContact N-O 3.5Å; H23-E69 PolarHBondContact O-N 2.75Å; N57-E69 PolarHBondContact ND2-OE1 2.76Å
70L90.6Very high78Confident0 Ų055.1 Ų55.10%030%0.299CS..EExtended strand (participates in β ladder)trans-129.6146.9176.118064.2000109.6V12 V13 F14 N15 L22 L52 R72 M74 L78 L80V12-L70 HydrophobicContact CG1-CB 4.15Å; V13-L70 PolarHBondContact O-N 2.87Å; F14-L70 CarbonylContact C-O 3.53Å; F14-L70 VanDerWaalsContact CA-O 3.29Å; F14-L70 WeakPolarHBondContact CA-O 3.31Å; N15-L70 PolarHBondContact N-O 3.4Å; L22-L70 HydrophobicContact CD2-CB 4.28Å; L22-L70 HydrophobicContact CD2-CD1 3.97Å; L52-L70 HydrophobicContact CD1-CD1 3.99Å; L70-R72 PolarHBondContact O-N 3.38Å; L70-M74 HydrophobicContact CD1-CB 4.5Å; L70-M74 HydrophobicContact CD1-CG 4.18Å; L70-L78 HydrophobicContact CD2-CD1 4.4Å; L70-L80 HydrophobicContact CD2-CD1 3.73Å
71C90.1Very high79.5Confident3 Ų360.4 Ų60.42%0.0232%0.316CS..EExtended strand (participates in β ladder)trans-56.4130.3173.8176.90000111.4N15 A17 N19 Q73 M74 G75 W140N15-C71 CarbonylContact O-C 3.52Å; N15-C71 WeakPolarHBondContact O-CA 3.34Å; A17-C71 WeakPolarHBondContact O-CB 3.44Å; A17-C71 PolarHBondContact O-SG 2.94Å; N19-C71 VanDerWaalsContact O-CB 3.26Å; N19-C71 WeakPolarHBondContact O-CB 3.38Å; C71-Q73 VanDerWaalsContact C-N 3.33Å; C71-Q73 PolarHBondContact O-N 3.12Å; C71-M74 HydrophobicContact CB-CB 4.15Å; C71-M74 PolarHBondContact O-N 2.74Å; C71-M74 VanDerWaalsContact O-N 3.11Å; C71-G75 PolarHBondContact O-N 3.04Å; C71-W140 HydrophobicContact CB-CH2 4.32Å; C71-W140 WeakPolarHBondContact SG-CZ2 3.18Å
72R88.9Confident81.3Confident126 Ų12660.4 Ų60.448%0.47530%0.302SS..Hα-helixtrans-53.1-46.5179.1-175.8176.4175.71453.7113F14 N15 L70 M74 G75 E76F14-R72 HydrophobicContact CB-CB 4.02Å; F14-R72 HydrophobicContact CB-CG 4.33Å; F14-R72 HydrophobicContact CD2-CG 4.16Å; F14-R72 HydrophobicContact CG-CB 4.37Å; F14-R72 HydrophobicContact CG-CG 4.43Å; N15-R72 PolarHBondContact O-N 3.42Å; L70-R72 PolarHBondContact O-N 3.38Å; R72-M74 VanDerWaalsContact C-N 3.26Å; R72-M74 PolarHBondContact O-N 2.77Å; R72-G75 PolarHBondContact O-N 2.95Å; R72-E76 HydrophobicContact CG-CG 4.38Å; R72-E76 IonicContact CZ-OE1 3.59Å; R72-E76 IonicContact NE-OE1 3.78Å; R72-E76 PolarHBondContact NE-OE1 3.1Å; R72-E76 IonicContact NH2-OE1 3.58Å; R72-E76 PolarHBondContact NH2-OE1 2.93Å; R72-E76 WeakPolarHBondContact O-CB 3.21Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 2.82Å
73Q88.4Confident82.4Confident65 Ų6557.3 Ų57.330%0.30429%0.294SS..Hα-helixtrans-64.1-33.6-178.4-67.2177.6-22.300112C71 K77 P138 W140C71-Q73 VanDerWaalsContact C-N 3.33Å; C71-Q73 PolarHBondContact O-N 3.12Å; Q73-K77 VanDerWaalsContact O-CG 3.3Å; Q73-K77 WeakPolarHBondContact O-CG 3.44Å; Q73-P138 HydrophobicContact CB-CB 4.38Å; Q73-P138 HydrophobicContact CB-CG 4.35Å; Q73-W140 HydrophobicContact CB-CZ2 4.42Å; Q73-W140 VanDerWaalsContact OE1-CE2 3.28Å; Q73-W140 VanDerWaalsContact OE1-CZ2 3.24Å
74M89.7Confident83.8Confident0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-75.4-47.2175.5-179.351.1128.600111.1C20 L52 L70 C71 R72 E76 K77 L78 F137 P138C20-M74 HydrophobicContact CB-CE 3.8Å; L52-M74 HydrophobicContact CD2-CE 4.25Å; L70-M74 HydrophobicContact CD1-CB 4.5Å; L70-M74 HydrophobicContact CD1-CG 4.18Å; C71-M74 HydrophobicContact CB-CB 4.15Å; C71-M74 PolarHBondContact O-N 2.74Å; C71-M74 VanDerWaalsContact O-N 3.11Å; R72-M74 VanDerWaalsContact C-N 3.26Å; R72-M74 PolarHBondContact O-N 2.77Å; M74-E76 PolarHBondContact O-N 2.84Å; M74-K77 PolarHBondContact O-N 2.78Å; M74-K77 VanDerWaalsContact O-N 3.15Å; M74-L78 HydrophobicContact CG-CD1 3.95Å; M74-L78 HydrophobicContact CG-CG 4.44Å; M74-L78 WeakPolarHBondContact O-CG 2.88Å; M74-L78 PolarHBondContact O-N 2.86Å; M74-L78 HydrophobicContact SD-CD1 3.94Å; M74-L78 HydrophobicContact SD-CD2 4.35Å; M74-L78 HydrophobicContact SD-CG 3.93Å; M74-F137 HydrophobicContact CE-CB 4.33Å; M74-F137 HydrophobicContact CE-CD1 3.11Å; M74-F137 HydrophobicContact CE-CE1 3.43Å; M74-F137 VanDerWaalsContact CE-CE1 3.43Å; M74-F137 HydrophobicContact CE-CG 3.85Å; M74-F137 HydrophobicContact CE-CZ 4.39Å; M74-P138 HydrophobicContact CB-CG 4Å; M74-P138 HydrophobicContact SD-CG 4.41Å
75G86.5Confident85.3Confident0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-56.7-46178.100000113.3C71 R72 K77 L78 G79 L80C71-G75 PolarHBondContact O-N 3.04Å; R72-G75 PolarHBondContact O-N 2.95Å; G75-K77 VanDerWaalsContact C-N 3.31Å; G75-K77 PolarHBondContact O-N 3.2Å; G75-L78 PolarHBondContact O-N 2.82Å; G75-G79 PolarHBondContact O-N 2.66Å; G75-G79 VanDerWaalsContact O-N 3.11Å; G75-L80 PolarHBondContact O-N 3.12Å
76E85.8Confident86Confident103 Ų10354.6 Ų54.648%0.48127%0.274SS..Hα-helixtrans-62.3-35.4177.5-72.8176.9-178.500112.5R72 M74 G79R72-E76 HydrophobicContact CG-CG 4.38Å; R72-E76 IonicContact CZ-OE1 3.59Å; R72-E76 IonicContact NE-OE1 3.78Å; R72-E76 PolarHBondContact NE-OE1 3.1Å; R72-E76 IonicContact NH2-OE1 3.58Å; R72-E76 PolarHBondContact NH2-OE1 2.93Å; R72-E76 WeakPolarHBondContact O-CB 3.21Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 2.82Å; M74-E76 PolarHBondContact O-N 2.84Å; E76-G79 PolarHBondContact O-N 2.8Å
77K85Confident86.3Confident100 Ų10056.1 Ų56.144%0.43528%0.277SS..Hα-helixtrans-76.9-31178.3-70.1-63.4-176.9-175.70113.6Q73 M74 G75 G79 Y148Q73-K77 VanDerWaalsContact O-CG 3.3Å; Q73-K77 WeakPolarHBondContact O-CG 3.44Å; M74-K77 PolarHBondContact O-N 2.78Å; M74-K77 VanDerWaalsContact O-N 3.15Å; G75-K77 VanDerWaalsContact C-N 3.31Å; G75-K77 PolarHBondContact O-N 3.2Å; K77-G79 PolarHBondContact O-N 3.48Å; K77-Y148 HydrophobicContact CD-CD1 4.45Å; K77-Y148 HydrophobicContact CD-CE1 4.25Å; K77-Y148 VanDerWaalsContact CE-CE1 3.42Å; K77-Y148 HydrophobicContact CG-CD1 4.24Å; K77-Y148 HydrophobicContact CG-CE1 3.89Å
78L83.8Confident86.5Confident30 Ų3054.2 Ų54.216%0.15727%0.267CS..Hα-helixtrans-74.8-13.8171.6-63.7174.9000112.1W44 V50 L52 L70 M74 G75 L80 F132W44-L78 HydrophobicContact CH2-CB 4.29Å; W44-L78 WeakPolarHBondContact CZ2-O 3.35Å; V50-L78 HydrophobicContact CG1-CD1 4.01Å; V50-L78 HydrophobicContact CG1-CD2 4.11Å; V50-L78 HydrophobicContact CG2-CD2 4.17Å; L52-L78 HydrophobicContact CD1-CD1 4.4Å; L70-L78 HydrophobicContact CD2-CD1 4.4Å; M74-L78 HydrophobicContact CG-CD1 3.95Å; M74-L78 HydrophobicContact CG-CG 4.44Å; M74-L78 WeakPolarHBondContact O-CG 2.88Å; M74-L78 PolarHBondContact O-N 2.86Å; M74-L78 HydrophobicContact SD-CD1 3.94Å; M74-L78 HydrophobicContact SD-CD2 4.35Å; M74-L78 HydrophobicContact SD-CG 3.93Å; G75-L78 PolarHBondContact O-N 2.82Å; L78-L80 HydrophobicContact CB-CD1 4.29Å; L78-L80 HydrophobicContact CD1-CD1 4.4Å; L78-F132 HydrophobicContact CD2-CZ 4Å
79G80.6Confident86.5Confident49 Ų4958.2 Ų58.251%0.50528%0.284SS..THydrogen-bonded Turntrans8716-179.500000114.2G75 E76 K77G75-G79 PolarHBondContact O-N 2.66Å; G75-G79 VanDerWaalsContact O-N 3.11Å; E76-G79 PolarHBondContact O-N 2.8Å; K77-G79 PolarHBondContact O-N 3.48Å
80L84.9Confident86.3Confident7 Ų756.9 Ų56.94%0.03728%0.279CS..  trans-77.1148175.3-72.9160.2000110.9F14 L42 W44 L70 G75 L78 E84F14-L80 HydrophobicContact CE1-CB 4.22Å; F14-L80 HydrophobicContact CZ-CB 3.96Å; F14-L80 WeakPolarHBondContact CZ-O 3.38Å; L42-L80 HydrophobicContact CD2-CD1 4.07Å; W44-L80 HydrophobicContact CB-CD2 4.36Å; W44-L80 HydrophobicContact CD2-CD2 3.39Å; W44-L80 HydrophobicContact CD2-CG 4.18Å; W44-L80 VanDerWaalsContact CE2-CD2 3.44Å; W44-L80 HydrophobicContact CE3-CD2 3.91Å; W44-L80 HydrophobicContact CG-CD2 3.58Å; W44-L80 HydrophobicContact CH2-CD1 4.49Å; W44-L80 HydrophobicContact CH2-CD2 4.46Å; W44-L80 HydrophobicContact CH2-CG 4.26Å; W44-L80 HydrophobicContact CZ2-CD2 4.02Å; W44-L80 HydrophobicContact CZ2-CG 3.88Å; W44-L80 HydrophobicContact CZ3-CD2 4.41Å; L70-L80 HydrophobicContact CD2-CD1 3.73Å; G75-L80 PolarHBondContact O-N 3.12Å; L78-L80 HydrophobicContact CB-CD1 4.29Å; L78-L80 HydrophobicContact CD1-CD1 4.4Å; L80-E84 WeakPolarHBondContact CA-OE2 3.34Å
81K84.1Confident85.9Confident158 Ų15857.4 Ų57.469%0.68728%0.283SS*.  trans-107.6149169.4-66.6177.8-176.6170.50110.7G83 E84K81-G83 PolarHBondContact O-N 2.98Å; K81-E84 PolarHBondContact N-OE2 3.08Å; K81-E84 WeakPolarHBondContact O-CB 3.4Å; K81-E84 PolarHBondContact O-N 3.13Å; K81-E84 VanDerWaalsContact O-N 3.15Å
82E84.2Confident85Confident125 Ų12565 Ų6558%0.58432%0.318SS*.THydrogen-bonded Turntrans-62.1126176.6-168.3173.9-178.600110.5F14F14-E82 HydrophobicContact CB-CG 4.48Å; F14-E82 HydrophobicContact CD2-CB 3.76Å; F14-E82 HydrophobicContact CD2-CG 4.25Å; F14-E82 HydrophobicContact CE2-CB 4.04Å; F14-E82 HydrophobicContact CG-CB 4.39Å; F14-E82 HydrophobicContact CG-CG 4.46Å
83G81.1Confident84Confident36 Ų3667 Ų6737%0.37133%0.333SS..THydrogen-bonded Turntrans876.7-177.500000115.4V12 K81V12-G83 WeakPolarHBondContact O-CA 3.44Å; V12-G83 PolarHBondContact O-N 2.96Å; K81-G83 PolarHBondContact O-N 2.98Å
84E85.9Confident83.6Confident33 Ų3366.1 Ų66.115%0.15433%0.332CS..  trans-68142.7178.1-167.7162.7-16100111.9R11 V12 W44 L80 K81R11-E84 WeakPolarHBondContact CA-O 3.34Å; V12-E84 PolarHBondContact N-O 3.41Å; W44-E84 VanDerWaalsContact CD1-OE1 3.28Å; L80-E84 WeakPolarHBondContact CA-OE2 3.34Å; K81-E84 PolarHBondContact N-OE2 3.08Å; K81-E84 WeakPolarHBondContact O-CB 3.4Å; K81-E84 PolarHBondContact O-N 3.13Å; K81-E84 VanDerWaalsContact O-N 3.15Å
85Q87.1Confident83.2Confident156 Ų15668.7 Ų68.773%0.72935%0.349SS*.EExtended strand (participates in β ladder)trans-91.2131.9-179.8-66.5-172.8-1.400110.2I10I10-Q85 WeakPolarHBondContact O-CA 3.4Å
86G87Confident83.1Confident2 Ų270.8 Ų70.82%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-139.1175-179.900000112.6P9 I10 S43P9-G86 CarbonylContact C-O 3.56Å; P9-G86 WeakPolarHBondContact CA-O 3.37Å; I10-G86 WeakPolarHBondContact CG1-O 3.33Å; I10-G86 PolarHBondContact N-O 2.99Å; I10-G86 PolarHBondContact O-N 2.66Å; S43-G86 CarbonylContact O-C 3.6Å; S43-G86 VanDerWaalsContact O-CA 3.24Å; S43-G86 WeakPolarHBondContact O-CA 3.38Å
87F88.3Confident83Confident107 Ų10766 Ų6647%0.46934%0.341SS..EExtended strand (participates in β ladder)trans-117.6130.1173.4-59.2-84.4000109.9I7 Q8 P9 S43I7-F87 HydrophobicContact CG2-CB 3.95Å; I7-F87 HydrophobicContact CG2-CD1 4.04Å; I7-F87 HydrophobicContact CG2-CG 4.35Å; Q8-F87 WeakPolarHBondContact O-CA 3.25Å; P9-F87 HydrophobicContact CB-CD1 4.21Å; P9-F87 HydrophobicContact CB-CE1 4.11Å; S43-F87 PolarHBondContact N-O 2.93Å; S43-F87 PolarHBondContact O-N 2.94Å; S43-F87 PolarHBondContact OG-O 2.8Å
88L88.6Confident82.8Confident0 Ų065.9 Ų65.90%035%0.346CS..EExtended strand (participates in β ladder)trans-98.2136.6169.7-75.2-178.7000110.8I7 Q8 I10 L22 L24 M28 L40 E41 L42 V68I7-L88 WeakPolarHBondContact CA-O 3.21Å; Q8-L88 PolarHBondContact N-O 2.79Å; Q8-L88 PolarHBondContact O-N 2.93Å; I10-L88 HydrophobicContact CD1-CD1 3.97Å; I10-L88 HydrophobicContact CD1-CD2 4.19Å; I10-L88 HydrophobicContact CD1-CG 3.67Å; I10-L88 HydrophobicContact CG1-CD1 4.49Å; I10-L88 HydrophobicContact CG1-CG 4.04Å; I10-L88 HydrophobicContact CG2-CB 4.42Å; I10-L88 HydrophobicContact CG2-CD1 3.84Å; I10-L88 HydrophobicContact CG2-CG 4Å; L22-L88 HydrophobicContact CD1-CD2 3.94Å; L24-L88 HydrophobicContact CD2-CD1 3.72Å; M28-L88 HydrophobicContact CE-CD1 3.98Å; L40-L88 HydrophobicContact CB-CD2 4.32Å; L40-L88 HydrophobicContact CD1-CD1 4.4Å; E41-L88 WeakPolarHBondContact O-CA 3.47Å; L42-L88 HydrophobicContact CB-CD2 4.07Å; L42-L88 HydrophobicContact CD1-CD2 3.8Å; L42-L88 HydrophobicContact CD1-CG 4.45Å; V68-L88 HydrophobicContact CG2-CD1 3.97Å
89K86.4Confident82.5Confident83 Ų8370.1 Ų70.136%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-137.9129.2175.5177.4178.7155.8-136.30110.3I7 E41I7-K89 HydrophobicContact CD1-CD 4.29Å; I7-K89 HydrophobicContact CG1-CB 4.24Å; I7-K89 HydrophobicContact CG1-CD 4.09Å; I7-K89 HydrophobicContact CG1-CG 4.12Å; E41-K89 HydrophobicContact CB-CB 4.29Å; E41-K89 PolarHBondContact N-O 2.86Å; E41-K89 PolarHBondContact O-N 3.19Å; E41-K89 IonicContact OE2-NZ 3.72Å; E41-K89 PolarHBondContact OE2-NZ 3.11Å
90P85.6Confident82.7Confident12 Ų1267.8 Ų67.88%0.07834%0.336CS..EExtended strand (participates in β ladder)trans-71.6134.6177.727.3-31.2000111.3G6 L34 L40G6-P90 WeakPolarHBondContact O-CD 3.35Å; L34-P90 HydrophobicContact CD2-CB 3.86Å; L40-P90 HydrophobicContact CD2-CB 4.13Å
91C81.8Confident82.6Confident11 Ų1170.9 Ų70.97%0.07435%0.349CS..  trans-92130.4170.8-57.40000109.2Q38 T39 V94Q38-C91 PolarHBondContact NE2-O 2.91Å; T39-C91 WeakPolarHBondContact O-CB 3.29Å; T39-C91 PolarHBondContact O-N 3.39Å; C91-V94 HydrophobicContact CB-CG2 4.49Å
92H70.7Confident82.7Confident163 Ų16363.4 Ų63.476%0.75532%0.316SS*.SBendtrans-99.5-9.6-179-63.5-65.4000113.7
93Q68.8Low82.8Confident168 Ų16860.7 Ų60.779%0.78530%0.304SS*.  trans-132.8104.5-176.3-165169.13.500109.7Y160Q93-Y160 PolarHBondContact O-OH 3.46Å
94V80.3Confident83.1Confident46 Ų4659 Ų5928%0.27929%0.287SS..  trans-127.5121.3-179.9-170.30000107.5T39 C91 Y160 R162T39-V94 WeakPolarHBondContact OG1-CG2 3.02Å; C91-V94 HydrophobicContact CB-CG2 4.49Å; V94-Y160 HydrophobicContact CG1-CD2 4.3Å; V94-Y160 HydrophobicContact CG1-CE2 4.31Å; V94-Y160 HydrophobicContact CG2-CE2 4.14Å; V94-R162 HydrophobicContact CG1-CB 3.87Å
95S80.9Confident83Confident54 Ų5461 Ų6138%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-85.4139.5176.6-57.90000110.6G161 R162S95-G161 VanDerWaalsContact O-CA 3.3Å; S95-G161 WeakPolarHBondContact O-CA 3.42Å; S95-R162 PolarHBondContact O-N 3.42Å
96S84.9Confident82.9Confident43 Ų4355.8 Ų55.830%0.30128%0.278SS..EExtended strand (participates in β ladder)trans-72.6139.3170.9-52.70000110.6E164S96-E164 VanDerWaalsContact CB-OE1 3.23Å; S96-E164 WeakPolarHBondContact CB-OE1 3.49Å; S96-E164 PolarHBondContact OG-OE1 2.74Å
97L83.7Confident82.5Confident2 Ų257.3 Ų57.31%0.0129%0.289CS..PPolyproline II helixtrans-93.9136.5-178.9-62.9176.4000110.7V100 V131 V154 V158 R162 L163 T167L97-V100 HydrophobicContact CB-CG2 4Å; L97-V100 HydrophobicContact CD1-CG2 3.65Å; L97-V100 HydrophobicContact CG-CG2 4.44Å; L97-V131 HydrophobicContact CD1-CG2 3.35Å; L97-V154 HydrophobicContact CD1-CB 4.11Å; L97-V154 HydrophobicContact CD1-CG1 3.93Å; L97-V154 HydrophobicContact CD2-CB 3.9Å; L97-V154 HydrophobicContact CD2-CG2 4.26Å; L97-V158 HydrophobicContact CD2-CG2 3.63Å; L97-R162 PolarHBondContact N-O 3.02Å; L97-L163 HydrophobicContact CD1-CD2 4.39Å; L97-T167 HydrophobicContact CB-CG2 4.09Å; L97-T167 WeakPolarHBondContact O-CB 3.39Å; L97-T167 VanDerWaalsContact O-CG2 3.29Å; L97-T167 WeakPolarHBondContact O-CG2 3.31Å; L97-T167 PolarHBondContact O-OG1 2.63Å
98N79.6Confident82.1Confident99 Ų9956 Ų5653%0.52929%0.286SS..SBendtrans-91-39.2174.7-65.73000110.9Y155 E168N98-Y155 HydrophobicContact CB-CD1 4.23Å; N98-Y155 PolarHBondContact N-O 3.35Å; N98-E168 PolarHBondContact O-N 2.8Å
99R77.6Confident81.9Confident118 Ų11856.6 Ų56.645%0.44529%0.29SS..EExtended strand (participates in β ladder)trans-139.1140.5179.2-54.5-172.7161.1165.9-7.5111.5Y155 E168R99-Y155 PolarHBondContact N-O 2.87Å; R99-Y155 PolarHBondContact O-N 2.92Å; R99-E168 CarbonylContact C-O 3.6Å; R99-E168 VanDerWaalsContact CA-O 3.29Å; R99-E168 WeakPolarHBondContact CA-O 3.39Å; R99-E168 HydrophobicContact CG-CB 4.18Å; R99-E168 IonicContact CZ-OE2 2.87Å; R99-E168 IonicContact NE-OE2 3.54Å; R99-E168 PolarHBondContact NE-OE2 3.07Å; R99-E168 IonicContact NH2-OE1 3.65Å; R99-E168 IonicContact NH2-OE2 3.7Å; R99-E168 PolarHBondContact NH2-OE2 3.17Å
100V85.6Confident81.7Confident0 Ų054.4 Ų54.40%028%0.279CS..EExtended strand (participates in β ladder)trans-130.3123.1177-179.50000109.3L97 V102 V131 I151 V154 L163 T167 E168 L169 V170L97-V100 HydrophobicContact CB-CG2 4Å; L97-V100 HydrophobicContact CD1-CG2 3.65Å; L97-V100 HydrophobicContact CG-CG2 4.44Å; V100-V102 HydrophobicContact CG1-CG2 3.77Å; V100-V131 HydrophobicContact CG1-CG2 4.33Å; V100-V131 HydrophobicContact CG2-CG2 4.28Å; V100-I151 HydrophobicContact CG1-CD1 3.97Å; V100-I151 HydrophobicContact CG1-CG2 4Å; V100-V154 HydrophobicContact CG1-CG1 4.27Å; V100-V154 HydrophobicContact CG2-CG1 4.35Å; V100-L163 HydrophobicContact CG2-CD2 3.69Å; V100-T167 HydrophobicContact CG2-CG2 3.83Å; V100-E168 PolarHBondContact N-O 3.03Å; V100-L169 HydrophobicContact CB-CD1 4.09Å; V100-L169 HydrophobicContact CG1-CD1 4.17Å; V100-V170 PolarHBondContact O-N 3.04Å
101F82.6Confident81.4Confident73 Ų7357.7 Ų57.732%0.3229%0.294SS..EExtended strand (participates in β ladder)trans-92.3127176.4-65-90.5000109.6T152 S153 V170F101-T152 PolarHBondContact O-N 3.34Å; F101-T152 PolarHBondContact O-OG1 2.81Å; F101-S153 WeakPolarHBondContact CD2-OG 3.41Å; F101-S153 PolarHBondContact N-O 2.81Å; F101-V170 CarbonylContact C-O 3.34Å; F101-V170 WeakPolarHBondContact CA-O 3.34Å; F101-V170 HydrophobicContact CD1-CB 3.71Å; F101-V170 HydrophobicContact CD1-CG1 3.74Å; F101-V170 HydrophobicContact CD1-CG2 4.38Å; F101-V170 HydrophobicContact CE1-CB 3.91Å; F101-V170 HydrophobicContact CE1-CG1 3.8Å; F101-V170 HydrophobicContact CE1-CG2 4.15Å; F101-V170 HydrophobicContact CG-CB 4.42Å
102V86.5Confident81.4Confident0 Ų059.4 Ų59.40%030%0.302CS..EExtended strand (participates in β ladder)trans-131.2141.1-171.8-179.50000110.3V100 I149 I150 I151 L169 V170 V171 S172V100-V102 HydrophobicContact CG1-CG2 3.77Å; V102-I149 HydrophobicContact CG1-CB 3.49Å; V102-I149 VanDerWaalsContact CG1-CB 3.49Å; V102-I149 HydrophobicContact CG1-CD1 4.07Å; V102-I149 HydrophobicContact CG1-CG1 4.23Å; V102-I149 HydrophobicContact CG1-CG2 3.95Å; V102-I150 CarbonylContact C-O 3.26Å; V102-I150 WeakPolarHBondContact CA-O 3.3Å; V102-I151 HydrophobicContact CG2-CD1 3.61Å; V102-L169 HydrophobicContact CB-CD1 4.42Å; V102-L169 HydrophobicContact CG2-CD1 3.42Å; V102-L169 VanDerWaalsContact CG2-CD1 3.42Å; V102-L169 HydrophobicContact CG2-CG 4.09Å; V102-V170 PolarHBondContact N-O 3.08Å; V102-V171 CarbonylContact O-C 3.48Å; V102-V171 VanDerWaalsContact O-CA 3.27Å; V102-V171 WeakPolarHBondContact O-CA 3.44Å; V102-S172 PolarHBondContact O-N 3.1Å
103E85.9Confident81.9Confident69 Ų6952.4 Ų52.432%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-120.2139.3170-59.4-170.4164.100110.2I150 T152 S172E103-I150 HydrophobicContact CB-CG2 3.76Å; E103-I150 PolarHBondContact N-O 3.45Å; E103-I150 VanDerWaalsContact O-CG2 3.31Å; E103-I150 WeakPolarHBondContact O-CG2 3.37Å; E103-I150 PolarHBondContact O-N 3.37Å; E103-T152 WeakPolarHBondContact CG-OG1 3.37Å; E103-S172 PolarHBondContact OE1-OG 3.35Å
104P86.8Confident82.3Confident1 Ų149.9 Ų49.91%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-69.3147.8169.530-34.1000110.1D109 W110 S172 K174P104-D109 HydrophobicContact CB-CB 3.9Å; P104-W110 HydrophobicContact CB-CB 4.31Å; P104-W110 HydrophobicContact CG-CB 3.83Å; P104-W110 HydrophobicContact CG-CE3 4.06Å; P104-S172 VanDerWaalsContact CD-O 3.31Å; P104-S172 WeakPolarHBondContact CD-O 3.44Å; P104-K174 HydrophobicContact CG-CB 3.96Å; P104-K174 HydrophobicContact CG-CD 4.35Å; P104-K174 WeakPolarHBondContact O-CD 3.49Å; P104-K174 PolarHBondContact O-NZ 3.13Å
105L84.7Confident82.2Confident75 Ų7554.2 Ų54.239%0.39328%0.279SS..SBendtrans-69.5-45.8-179.1-170.466.1000111.3Y148 K174L105-Y148 HydrophobicContact CD2-CG 4.3Å; L105-Y148 PolarHBondContact N-O 3.12Å; L105-K174 PolarHBondContact O-NZ 3.09Å
106S84.3Confident82Confident45 Ų4555 Ų5532%0.31528%0.276SS..SBendtrans-117.8168.617873.90000113.5D108 D109 W110S106-D108 VanDerWaalsContact C-N 3.28Å; S106-D108 PolarHBondContact OG-N 3.01Å; S106-D109 VanDerWaalsContact CB-OD2 3.29Å; S106-D109 WeakPolarHBondContact CB-OD2 3.46Å; S106-D109 PolarHBondContact N-OD2 2.8Å; S106-D109 PolarHBondContact O-N 2.79Å; S106-D109 PolarHBondContact OG-N 3.29Å; S106-D109 PolarHBondContact OG-OD2 2.95Å; S106-W110 PolarHBondContact O-N 2.92Å
107S79Confident81.5Confident34 Ų3456.2 Ų56.224%0.23829%0.285CS..Hα-helixtrans-67.7-30.1172.1570000112.5W110 E111S107-W110 WeakPolarHBondContact O-CB 3.49Å; S107-W110 PolarHBondContact O-N 2.86Å; S107-E111 PolarHBondContact O-N 3.18Å; S107-E111 VanDerWaalsContact O-N 3.12Å
108D80.6Confident80.9Confident79 Ų7959.8 Ų59.842%0.42231%0.31SS..Hα-helixtrans-74.5-34.6179.6-57.4-12.8000109.7S106 W110 E111 I112 R176S106-D108 VanDerWaalsContact C-N 3.28Å; S106-D108 PolarHBondContact OG-N 3.01Å; D108-W110 VanDerWaalsContact C-N 3.25Å; D108-W110 PolarHBondContact O-N 2.81Å; D108-E111 PolarHBondContact O-N 2.99Å; D108-I112 WeakPolarHBondContact O-CD1 3.47Å; D108-I112 VanDerWaalsContact O-CG1 3.25Å; D108-I112 WeakPolarHBondContact O-CG1 3.41Å; D108-I112 PolarHBondContact O-N 3.38Å; D108-R176 IonicContact OD1-CZ 3.38Å; D108-R176 IonicContact OD1-NH2 3.23Å; D108-R176 PolarHBondContact OD1-NH2 3.3Å
109D84.9Confident80.6Confident14 Ų1456.1 Ų56.18%0.07529%0.293CS..Hα-helixtrans-60.8-34.3169.5-64.4-54.2000111.8P104 S106 L113 I147 Y148P104-D109 HydrophobicContact CB-CB 3.9Å; S106-D109 VanDerWaalsContact CB-OD2 3.29Å; S106-D109 WeakPolarHBondContact CB-OD2 3.46Å; S106-D109 PolarHBondContact N-OD2 2.8Å; S106-D109 PolarHBondContact O-N 2.79Å; S106-D109 PolarHBondContact OG-N 3.29Å; S106-D109 PolarHBondContact OG-OD2 2.95Å; D109-L113 WeakPolarHBondContact O-CB 3.44Å; D109-L113 PolarHBondContact O-N 3.36Å; D109-I147 HydrophobicContact CB-CB 4.41Å; D109-I147 WeakPolarHBondContact OD1-CA 3.22Å; D109-Y148 PolarHBondContact OD1-N 3.5Å
110W82.1Confident80.6Confident36 Ų3651.2 Ų51.214%0.13628%0.276CS..Hα-helixtrans-67.2-49.3174.6172.3-97.2000111.7P104 S106 S107 D108 I112 L113 E114 V171 Q173P104-W110 HydrophobicContact CB-CB 4.31Å; P104-W110 HydrophobicContact CG-CB 3.83Å; P104-W110 HydrophobicContact CG-CE3 4.06Å; S106-W110 PolarHBondContact O-N 2.92Å; S107-W110 WeakPolarHBondContact O-CB 3.49Å; S107-W110 PolarHBondContact O-N 2.86Å; D108-W110 VanDerWaalsContact C-N 3.25Å; D108-W110 PolarHBondContact O-N 2.81Å; W110-I112 VanDerWaalsContact C-N 3.3Å; W110-I112 PolarHBondContact O-N 3.33Å; W110-L113 PolarHBondContact O-N 3.37Å; W110-E114 PolarHBondContact NE1-OE2 2.92Å; W110-E114 VanDerWaalsContact NE1-OE2 3.13Å; W110-E114 WeakPolarHBondContact O-CB 3.49Å; W110-E114 PolarHBondContact O-N 3.12Å; W110-V171 HydrophobicContact CE3-CG1 4.12Å; W110-V171 HydrophobicContact CZ3-CB 4.18Å; W110-V171 HydrophobicContact CZ3-CG1 3.68Å; W110-Q173 HydrophobicContact CH2-CB 4.22Å; W110-Q173 HydrophobicContact CH2-CG 3.59Å; W110-Q173 HydrophobicContact CZ2-CB 4.09Å; W110-Q173 HydrophobicContact CZ2-CG 3.61Å; W110-Q173 HydrophobicContact CZ3-CG 4.29Å
111E79.1Confident80Confident82 Ų8258.8 Ų58.838%0.38331%0.311SS..Hα-helixtrans-59.1-42.2179-71176.8-173.400111.1S107 D108 E114 L115 R176S107-E111 PolarHBondContact O-N 3.18Å; S107-E111 VanDerWaalsContact O-N 3.12Å; D108-E111 PolarHBondContact O-N 2.99Å; E111-E114 PolarHBondContact O-N 3.48Å; E111-L115 VanDerWaalsContact O-CG 3.27Å; E111-L115 WeakPolarHBondContact O-CG 3.43Å; E111-L115 PolarHBondContact O-N 2.88Å; E111-L115 VanDerWaalsContact O-N 3.09Å; E111-R176 IonicContact OE1-CZ 3.79Å; E111-R176 VanDerWaalsContact OE1-CZ 3.26Å; E111-R176 IonicContact OE1-NE 3.85Å; E111-R176 IonicContact OE1-NH1 2.66Å; E111-R176 PolarHBondContact OE1-NH1 3.44Å; E111-R176 IonicContact OE1-NH2 3.7Å; E111-R176 PolarHBondContact OE1-NH2 3.48Å; E111-R176 IonicContact OE2-NH2 2.64Å
112I81.6Confident79.7Confident47 Ų4762.7 Ų62.724%0.24133%0.331CS..Hα-helixtrans-67.3-41.6177.4-64.1165.1000111.3D108 W110 E114 L115 H116 V141 T145 I147D108-I112 WeakPolarHBondContact O-CD1 3.47Å; D108-I112 VanDerWaalsContact O-CG1 3.25Å; D108-I112 WeakPolarHBondContact O-CG1 3.41Å; D108-I112 PolarHBondContact O-N 3.38Å; W110-I112 VanDerWaalsContact C-N 3.3Å; W110-I112 PolarHBondContact O-N 3.33Å; I112-E114 VanDerWaalsContact C-N 3.34Å; I112-L115 PolarHBondContact O-N 2.77Å; I112-H116 PolarHBondContact O-CD2 3.37Å; I112-H116 PolarHBondContact O-N 2.96Å; I112-H116 VanDerWaalsContact O-N 3.1Å; I112-V141 HydrophobicContact CG2-CG2 4.23Å; I112-T145 HydrophobicContact CD1-CG2 4.15Å; I112-T145 HydrophobicContact CG2-CG2 3.88Å; I112-I147 HydrophobicContact CB-CG2 3.86Å; I112-I147 HydrophobicContact CD1-CG2 4.47Å; I112-I147 HydrophobicContact CG2-CG2 3.49Å; I112-I147 VanDerWaalsContact CG2-CG2 3.49Å
113L80.4Confident79.4Confident15 Ų1567.2 Ų67.28%0.07935%0.35CS..Hα-helixtrans-63.9-40.4177.5-171.8157000111.4D109 W110 H116 S117 L120 I147 I149 V171D109-L113 WeakPolarHBondContact O-CB 3.44Å; D109-L113 PolarHBondContact O-N 3.36Å; W110-L113 PolarHBondContact O-N 3.37Å; L113-H116 PolarHBondContact O-N 2.86Å; L113-S117 WeakPolarHBondContact O-CA 3.4Å; L113-S117 PolarHBondContact O-N 3.35Å; L113-L120 HydrophobicContact CD1-CD2 4.18Å; L113-L120 HydrophobicContact CG-CD2 3.95Å; L113-I147 HydrophobicContact CB-CD1 4.18Å; L113-I147 HydrophobicContact CD1-CD1 4.09Å; L113-I147 HydrophobicContact CG-CD1 4.27Å; L113-I149 HydrophobicContact CD1-CG2 4.37Å; L113-V171 HydrophobicContact CD1-CG1 4.03Å; L113-V171 HydrophobicContact CD1-CG2 4.46Å; L113-V171 HydrophobicContact CD2-CG1 4.3Å; L113-V171 HydrophobicContact CD2-CG2 4.37Å
114E77Confident79.3Confident115 Ų11565 Ų6554%0.53734%0.34SS..Hα-helixtrans-64.1-45.6177.7-174.4168.7-165.600111.6W110 E111 I112 H116W110-E114 PolarHBondContact NE1-OE2 2.92Å; W110-E114 VanDerWaalsContact NE1-OE2 3.13Å; W110-E114 WeakPolarHBondContact O-CB 3.49Å; W110-E114 PolarHBondContact O-N 3.12Å; E111-E114 PolarHBondContact O-N 3.48Å; I112-E114 VanDerWaalsContact C-N 3.34Å; E114-H116 VanDerWaalsContact C-N 3.34Å; E114-H116 PolarHBondContact O-N 3.41Å
115L78.2Confident79.1Confident138 Ų13867.2 Ų67.272%0.72335%0.352SS*.Hα-helixtrans-67.9-29.4179.7-70.5170.6000113.6E111 I112E111-L115 VanDerWaalsContact O-CG 3.27Å; E111-L115 WeakPolarHBondContact O-CG 3.43Å; E111-L115 PolarHBondContact O-N 2.88Å; E111-L115 VanDerWaalsContact O-N 3.09Å; I112-L115 PolarHBondContact O-N 2.77Å
116H77.8Confident79.1Confident70 Ų7068.3 Ų68.332%0.32436%0.358SS..THydrogen-bonded Turntrans-120.326.7-173.2-63.6-87.3000114.4I112 L113 E114 S118 A119 L120 V141I112-H116 PolarHBondContact O-CD2 3.37Å; I112-H116 PolarHBondContact O-N 2.96Å; I112-H116 VanDerWaalsContact O-N 3.1Å; L113-H116 PolarHBondContact O-N 2.86Å; E114-H116 VanDerWaalsContact C-N 3.34Å; E114-H116 PolarHBondContact O-N 3.41Å; H116-S118 VanDerWaalsContact C-N 3.31Å; H116-S118 PolarHBondContact O-N 3.45Å; H116-A119 PolarHBondContact O-N 2.56Å; H116-L120 PolarHBondContact O-N 2.85Å; H116-L120 VanDerWaalsContact O-N 3.1Å; H116-V141 HydrophobicContact CB-CG1 3.38Å
117S74.1Confident79.3Confident68 Ų6866.9 Ų66.948%0.47635%0.347SS..Hα-helixtrans-56.6-37.2-176.6520000114.4L113 L120 E121L113-S117 WeakPolarHBondContact O-CA 3.4Å; L113-S117 PolarHBondContact O-N 3.35Å; S117-L120 WeakPolarHBondContact O-CB 3.21Å; S117-L120 PolarHBondContact O-N 2.72Å; S117-E121 PolarHBondContact O-N 3.39Å
118S70.8Confident79.7Confident78 Ų7865.4 Ų65.455%0.54534%0.336SS..Hα-helixtrans-69.7-39.3178.357.40000113.5H116 L120 E121 Q122H116-S118 VanDerWaalsContact C-N 3.31Å; H116-S118 PolarHBondContact O-N 3.45Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-E121 PolarHBondContact O-N 3.43Å; S118-Q122 PolarHBondContact O-N 3.06Å
119A73.9Confident80Confident22 Ų2264.9 Ų64.918%0.18233%0.328CS..Hα-helixtrans-68.7-35.5176.500000111.4H116 K123H116-A119 PolarHBondContact O-N 2.56Å; A119-K123 WeakPolarHBondContact O-CB 3.43Å; A119-K123 WeakPolarHBondContact O-CG 3.38Å; A119-K123 PolarHBondContact O-N 3.24Å
120L75.9Confident80.3Confident15 Ų1564.3 Ų64.38%0.07933%0.325CS..Hα-helixtrans-63.9-47.3173.8-173.870.9000111.1L113 H116 S117 S118 Q122 K123 L124 V139 I147L113-L120 HydrophobicContact CD1-CD2 4.18Å; L113-L120 HydrophobicContact CG-CD2 3.95Å; H116-L120 PolarHBondContact O-N 2.85Å; H116-L120 VanDerWaalsContact O-N 3.1Å; S117-L120 WeakPolarHBondContact O-CB 3.21Å; S117-L120 PolarHBondContact O-N 2.72Å; S118-L120 VanDerWaalsContact C-N 3.32Å; L120-Q122 VanDerWaalsContact C-N 3.3Å; L120-Q122 PolarHBondContact O-N 3.1Å; L120-K123 PolarHBondContact O-N 3.29Å; L120-L124 HydrophobicContact CD1-CD1 4.08Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 PolarHBondContact O-N 3.16Å; L120-V139 HydrophobicContact CD1-CB 4.31Å; L120-V139 HydrophobicContact CD1-CG1 3.34Å; L120-I147 HydrophobicContact CD1-CD1 4.25Å
121E74.3Confident80.6Confident159 Ų15962.8 Ų62.874%0.74332%0.32SS*.Hα-helixtrans-55.9-43.8179.8-173.8179.2177.500112.3S117 S118S117-E121 PolarHBondContact O-N 3.39Å; S118-E121 PolarHBondContact O-N 3.43Å
122Q76.8Confident81.1Confident155 Ų15560 Ų6072%0.72431%0.306SS*.Hα-helixtrans-71.9-33.6-179.5-67.9179.2-5.900113.3S118 L120S118-Q122 PolarHBondContact O-N 3.06Å; L120-Q122 VanDerWaalsContact C-N 3.3Å; L120-Q122 PolarHBondContact O-N 3.1Å
123K78.9Confident81.3Confident95 Ų9560.8 Ų60.841%0.41331%0.309SS..Hα-helixtrans-107.3-7.7-168.9-62.9179.9-177.4172.30114.9A119 L120 L125 D126 Q127A119-K123 WeakPolarHBondContact O-CB 3.43Å; A119-K123 WeakPolarHBondContact O-CG 3.38Å; A119-K123 PolarHBondContact O-N 3.24Å; L120-K123 PolarHBondContact O-N 3.29Å; K123-L125 PolarHBondContact O-N 3.34Å; K123-D126 PolarHBondContact O-N 3.19Å; K123-Q127 WeakPolarHBondContact O-CG 3.43Å; K123-Q127 PolarHBondContact O-NE2 3.35Å
124L83.4Confident81.5Confident21 Ų2166.3 Ų66.311%0.1133%0.334CS..Hα-helixtrans-63.5-43.2-174-174.369.9000112.6L120 D126 Q127 I128 V139 L169L120-L124 HydrophobicContact CD1-CD1 4.08Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 PolarHBondContact O-N 3.16Å; L124-D126 PolarHBondContact O-N 2.83Å; L124-Q127 PolarHBondContact O-N 2.96Å; L124-I128 HydrophobicContact CD1-CD1 4.3Å; L124-I128 PolarHBondContact O-N 3.5Å; L124-V139 HydrophobicContact CD1-CG1 3.9Å; L124-V139 HydrophobicContact CD1-CG2 4.14Å; L124-L169 HydrophobicContact CD2-CD2 3.99Å
125L83.6Confident81.9Confident48 Ų4861 Ų6125%0.25131%0.31SS..Hα-helixtrans-68.7-21.1-178.8-69.1175.8000113.4K123 Q127 R129 L163 Q165K123-L125 PolarHBondContact O-N 3.34Å; L125-Q127 VanDerWaalsContact C-N 3.27Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-L163 HydrophobicContact CD2-CB 3.68Å; L125-Q165 HydrophobicContact CD1-CB 4.4Å
126D83.4Confident82.4Confident99 Ų9955.9 Ų55.953%0.52929%0.285SS..Hα-helixtrans-78.8-14.3173.6-66.9-22.5000112.4F21 K123 L124F21-D126 WeakPolarHBondContact CE2-O 3.36Å; F21-D126 WeakPolarHBondContact CZ-O 3.46Å; K123-D126 PolarHBondContact O-N 3.19Å; L124-D126 PolarHBondContact O-N 2.83Å
127Q88.4Confident83Confident15 Ų1552.6 Ų52.67%0.0727%0.269CS..Hα-helixtrans-109.3-37.5-177.4-61177.239.500112.4C20 K123 L124 L125 V139 W140C20-Q127 WeakPolarHBondContact CB-O 3.41Å; C20-Q127 PolarHBondContact N-O 2.98Å; K123-Q127 WeakPolarHBondContact O-CG 3.43Å; K123-Q127 PolarHBondContact O-NE2 3.35Å; L124-Q127 PolarHBondContact O-N 2.96Å; L125-Q127 VanDerWaalsContact C-N 3.27Å; Q127-V139 VanDerWaalsContact OE1-CG1 3.32Å; Q127-W140 HydrophobicContact CG-CE3 4.42Å; Q127-W140 PolarHBondContact NE2-O 2.87Å; Q127-W140 VanDerWaalsContact OE1-CE3 3.28Å; Q127-W140 PolarHBondContact OE1-O 2.88Å
128I89.3Confident83.8Confident3 Ų349.3 Ų49.32%0.01525%0.247CC..  trans-137.8123.8-176.4-54.6169.9000109.3C20 L124 V131 F137 V139 I149 L163C20-I128 HydrophobicContact CB-CG1 4.18Å; L124-I128 HydrophobicContact CD1-CD1 4.3Å; L124-I128 PolarHBondContact O-N 3.5Å; I128-V131 HydrophobicContact CG2-CG1 3.76Å; I128-F137 HydrophobicContact CD1-CB 3.54Å; I128-F137 HydrophobicContact CD1-CD1 3.84Å; I128-F137 HydrophobicContact CD1-CG 3.91Å; I128-F137 HydrophobicContact CG1-CD1 4.05Å; I128-F137 HydrophobicContact CG2-CD1 3.94Å; I128-F137 HydrophobicContact CG2-CE1 4.02Å; I128-V139 HydrophobicContact CD1-CG2 3.76Å; I128-I149 HydrophobicContact CD1-CD1 4.31Å; I128-L163 HydrophobicContact CB-CD1 4.48Å; I128-L163 HydrophobicContact CG2-CD1 4.05Å
129R87Confident84.7Confident67 Ų6745.6 Ų45.625%0.25322%0.221SC..SBendtrans-113.8-21176.5-69.8-179.3-174.9-77-2.4113.9F21 T53 L125 R162 L163F21-R129 HydrophobicContact CE1-CB 4.13Å; F21-R129 HydrophobicContact CE1-CG 3.75Å; F21-R129 HydrophobicContact CZ-CG 3.85Å; T53-R129 HydrophobicContact CG2-CB 3.95Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; R129-R162 WeakPolarHBondContact O-CA 3.34Å; R129-L163 PolarHBondContact O-N 3.27Å
130V89.4Confident85.4Confident3 Ų345.4 Ų45.42%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-134.4135.8-179171.70000108.5T39 F51 T53 G161T39-V130 HydrophobicContact CG2-CB 4.46Å; T39-V130 HydrophobicContact CG2-CG1 3.94Å; T39-V130 HydrophobicContact CG2-CG2 4.11Å; T39-V130 WeakPolarHBondContact OG1-CG2 3.19Å; F51-V130 HydrophobicContact CB-CG1 4.16Å; T53-V130 HydrophobicContact CG2-CB 4.29Å; T53-V130 HydrophobicContact CG2-CG2 3.54Å; V130-G161 WeakPolarHBondContact CA-O 3.49Å
131V89.4Confident85.8Confident3 Ų344.9 Ų44.92%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-126.1151.1177.7-67.60000110.1L97 V100 I128 F137 I151 V154 Y160 G161 L163L97-V131 HydrophobicContact CD1-CG2 3.35Å; V100-V131 HydrophobicContact CG1-CG2 4.33Å; V100-V131 HydrophobicContact CG2-CG2 4.28Å; I128-V131 HydrophobicContact CG2-CG1 3.76Å; V131-F137 HydrophobicContact CB-CE2 4.44Å; V131-F137 HydrophobicContact CB-CZ 4.47Å; V131-F137 HydrophobicContact CG1-CE2 4.25Å; V131-F137 HydrophobicContact CG1-CZ 4.27Å; V131-I151 HydrophobicContact CB-CD1 4.31Å; V131-I151 HydrophobicContact CB-CG1 4.09Å; V131-I151 HydrophobicContact CG1-CD1 4.03Å; V131-I151 HydrophobicContact CG1-CG1 4.22Å; V131-V154 HydrophobicContact CG2-CG1 4.23Å; V131-Y160 CarbonylContact O-C 3.6Å; V131-Y160 VanDerWaalsContact O-CA 3.29Å; V131-Y160 WeakPolarHBondContact O-CA 3.34Å; V131-G161 PolarHBondContact N-O 2.95Å; V131-G161 PolarHBondContact O-N 2.99Å; V131-L163 HydrophobicContact CG1-CD1 3.89Å; V131-L163 HydrophobicContact CG1-CD2 4.47Å; V131-L163 HydrophobicContact CG1-CG 4.26Å; V131-L163 HydrophobicContact CG2-CD2 3.98Å; V131-L163 HydrophobicContact CG2-CG 4.3Å
132F89.5Confident85.9Confident24 Ų2440.9 Ų40.911%0.10520%0.196CC..EExtended strand (participates in β ladder)trans-133.7153.7176.256.7-88.4000109.5V50 F51 L78 H134 G135 F137V50-F132 HydrophobicContact CG1-CD1 4.43Å; V50-F132 HydrophobicContact CG1-CE1 3.55Å; V50-F132 HydrophobicContact CG1-CZ 3.65Å; V50-F132 HydrophobicContact CG2-CZ 4.3Å; F51-F132 HydrophobicContact CD2-CB 4.23Å; L78-F132 HydrophobicContact CD2-CZ 4Å; F132-H134 PolarHBondContact O-N 3.35Å; F132-G135 PolarHBondContact O-N 2.98Å; F132-G135 VanDerWaalsContact O-N 3.15Å; F132-F137 HydrophobicContact CD1-CE2 4.4Å; F132-F137 AromaticContact CD1-CZ 3.82Å; F132-F137 HydrophobicContact CD1-CZ 3.82Å; F132-F137 HydrophobicContact CE1-CE1 4.31Å; F132-F137 HydrophobicContact CE1-CE2 4.08Å; F132-F137 AromaticContact CE1-CZ 3.47Å; F132-F137 HydrophobicContact CE1-CZ 3.47Å; F132-F137 VanDerWaalsContact CE1-CZ 3.47Å; F132-F137 HydrophobicContact CZ-CE2 4.44Å; F132-F137 HydrophobicContact CZ-CZ 4.2Å
133Q84.9Confident85.8Confident63 Ų6336.9 Ų36.929%0.29419%0.186SC..THydrogen-bonded Turntrans-61.7137.7-174.9-63.8-177.214.300111G135 V154 V158 P159Q133-G135 PolarHBondContact O-N 3.26Å; Q133-G135 VanDerWaalsContact O-N 3.16Å; Q133-V154 HydrophobicContact CG-CG2 4.03Å; Q133-V158 PolarHBondContact NE2-O 3.15Å; Q133-V158 VanDerWaalsContact NE2-O 3.1Å; Q133-P159 PolarHBondContact N-O 2.73Å
134H84.7Confident85.7Confident131 Ų13140.7 Ų40.761%0.60620%0.204SC*.THydrogen-bonded Turntrans62.69.1-176.3-50-59.3000115.5F132 I151F132-H134 PolarHBondContact O-N 3.35Å; H134-I151 VanDerWaalsContact CA-O 3.24Å; H134-I151 WeakPolarHBondContact CA-O 3.5Å; H134-I151 PolarHBondContact N-O 3.32Å
135G85.6Confident85.7Confident3 Ų342 Ų423%0.03121%0.214CC..  trans-69.3137.517300000112F132 Q133 I150 I151F132-G135 PolarHBondContact O-N 2.98Å; F132-G135 VanDerWaalsContact O-N 3.15Å; Q133-G135 PolarHBondContact O-N 3.26Å; Q133-G135 VanDerWaalsContact O-N 3.16Å; G135-I150 WeakPolarHBondContact O-CA 3.26Å; G135-I151 PolarHBondContact O-N 2.72Å
136V89.7Confident85.9Confident31 Ų3141.3 Ų41.319%0.18821%0.211CC..EExtended strand (participates in β ladder)trans-103.3122.7174-177.80000108.7Y148 I149 I150V136-Y148 HydrophobicContact CG1-CD1 4.47Å; V136-I149 CarbonylContact C-O 3.5Å; V136-I149 WeakPolarHBondContact CA-O 3.46Å; V136-I150 HydrophobicContact CG2-CB 4.28Å; V136-I150 HydrophobicContact CG2-CD1 4.08Å; V136-I150 HydrophobicContact CG2-CG1 4.04Å
137F91.1Very high86.2Confident1 Ų136.6 Ų36.60%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-119.2130.6-177-66.8-100.3000110.9C20 M74 I128 V131 F132 I149 I151C20-F137 HydrophobicContact CB-CD1 4.44Å; M74-F137 HydrophobicContact CE-CB 4.33Å; M74-F137 HydrophobicContact CE-CD1 3.11Å; M74-F137 HydrophobicContact CE-CE1 3.43Å; M74-F137 VanDerWaalsContact CE-CE1 3.43Å; M74-F137 HydrophobicContact CE-CG 3.85Å; M74-F137 HydrophobicContact CE-CZ 4.39Å; I128-F137 HydrophobicContact CD1-CB 3.54Å; I128-F137 HydrophobicContact CD1-CD1 3.84Å; I128-F137 HydrophobicContact CD1-CG 3.91Å; I128-F137 HydrophobicContact CG1-CD1 4.05Å; I128-F137 HydrophobicContact CG2-CD1 3.94Å; I128-F137 HydrophobicContact CG2-CE1 4.02Å; V131-F137 HydrophobicContact CB-CE2 4.44Å; V131-F137 HydrophobicContact CB-CZ 4.47Å; V131-F137 HydrophobicContact CG1-CE2 4.25Å; V131-F137 HydrophobicContact CG1-CZ 4.27Å; F132-F137 HydrophobicContact CD1-CE2 4.4Å; F132-F137 AromaticContact CD1-CZ 3.82Å; F132-F137 HydrophobicContact CD1-CZ 3.82Å; F132-F137 HydrophobicContact CE1-CE1 4.31Å; F132-F137 HydrophobicContact CE1-CE2 4.08Å; F132-F137 AromaticContact CE1-CZ 3.47Å; F132-F137 HydrophobicContact CE1-CZ 3.47Å; F132-F137 VanDerWaalsContact CE1-CZ 3.47Å; F132-F137 HydrophobicContact CZ-CE2 4.44Å; F132-F137 HydrophobicContact CZ-CZ 4.2Å; F137-I149 HydrophobicContact CB-CG1 3.99Å; F137-I149 PolarHBondContact N-O 3.32Å; F137-I149 PolarHBondContact O-N 2.95Å; F137-I151 HydrophobicContact CD2-CG1 3.98Å; F137-I151 HydrophobicContact CE2-CG1 3.89Å
138P90.5Very high86.3Confident0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-75.5135.216529.7-30.5000110.4C20 Q73 M74 W140 V146 Y148C20-P138 PolarHBondContact SG-O 3.2Å; C20-P138 VanDerWaalsContact SG-O 3.41Å; Q73-P138 HydrophobicContact CB-CB 4.38Å; Q73-P138 HydrophobicContact CB-CG 4.35Å; M74-P138 HydrophobicContact CB-CG 4Å; M74-P138 HydrophobicContact SD-CG 4.41Å; P138-W140 HydrophobicContact CB-CH2 4.08Å; P138-W140 HydrophobicContact CB-CZ2 4.1Å; P138-W140 HydrophobicContact CG-CH2 3.7Å; P138-W140 HydrophobicContact CG-CZ2 4.09Å; P138-W140 HydrophobicContact CG-CZ3 4.37Å; P138-W140 WeakPolarHBondContact O-CZ3 3.39Å; P138-V146 HydrophobicContact CB-CG1 3.83Å; P138-Y148 HydrophobicContact CB-CD1 4.09Å; P138-Y148 HydrophobicContact CB-CE1 3.79Å
139V88.1Confident86.3Confident0 Ų038.5 Ų38.50%019%0.193CC..EExtended strand (participates in β ladder)trans-125.7128174.7-168.30000109.3L120 L124 Q127 I128 V146 I147 I149L120-V139 HydrophobicContact CD1-CB 4.31Å; L120-V139 HydrophobicContact CD1-CG1 3.34Å; L124-V139 HydrophobicContact CD1-CG1 3.9Å; L124-V139 HydrophobicContact CD1-CG2 4.14Å; Q127-V139 VanDerWaalsContact OE1-CG1 3.32Å; I128-V139 HydrophobicContact CD1-CG2 3.76Å; V139-V146 WeakPolarHBondContact O-CA 3.25Å; V139-I147 HydrophobicContact CB-CD1 4.32Å; V139-I147 HydrophobicContact CB-CG1 3.81Å; V139-I147 PolarHBondContact N-O 3.4Å; V139-I147 WeakPolarHBondContact O-CG1 3.37Å; V139-I147 PolarHBondContact O-N 3.21Å; V139-I149 HydrophobicContact CG2-CD1 3.7Å; V139-I149 HydrophobicContact CG2-CG1 3.84Å
140W89.8Confident86.4Confident17 Ų1737.5 Ų37.56%0.06419%0.193CC..EExtended strand (participates in β ladder)trans-93.1114.4-178.7-61.8-92.2000109.3K18 C71 Q73 Q127 P138 V146K18-W140 VanDerWaalsContact C-CZ3 3.45Å; K18-W140 HydrophobicContact CB-CB 4.45Å; K18-W140 HydrophobicContact CB-CD2 3.86Å; K18-W140 HydrophobicContact CB-CE3 4.29Å; K18-W140 HydrophobicContact CB-CG 3.87Å; K18-W140 HydrophobicContact CG-CG 4.29Å; K18-W140 VanDerWaalsContact O-CE3 3.28Å; C71-W140 HydrophobicContact CB-CH2 4.32Å; C71-W140 WeakPolarHBondContact SG-CZ2 3.18Å; Q73-W140 HydrophobicContact CB-CZ2 4.42Å; Q73-W140 VanDerWaalsContact OE1-CE2 3.28Å; Q73-W140 VanDerWaalsContact OE1-CZ2 3.24Å; Q127-W140 HydrophobicContact CG-CE3 4.42Å; Q127-W140 PolarHBondContact NE2-O 2.87Å; Q127-W140 VanDerWaalsContact OE1-CE3 3.28Å; Q127-W140 PolarHBondContact OE1-O 2.88Å; P138-W140 HydrophobicContact CB-CH2 4.08Å; P138-W140 HydrophobicContact CB-CZ2 4.1Å; P138-W140 HydrophobicContact CG-CH2 3.7Å; P138-W140 HydrophobicContact CG-CZ2 4.09Å; P138-W140 HydrophobicContact CG-CZ3 4.37Å; P138-W140 WeakPolarHBondContact O-CZ3 3.39Å; W140-V146 HydrophobicContact CG-CG2 4.25Å
141V83.3Confident86.4Confident4 Ų437.5 Ų37.52%0.02419%0.192CC..SBendtrans-79.1-45.6174.6177.80000109.8I112 H116 T145 I147I112-V141 HydrophobicContact CG2-CG2 4.23Å; H116-V141 HydrophobicContact CB-CG1 3.38Å; V141-T145 PolarHBondContact N-O 3.42Å; V141-T145 VanDerWaalsContact N-O 3.16Å; V141-I147 HydrophobicContact CG2-CD1 4.13Å; V141-I147 HydrophobicContact CG2-CG1 4.28Å; V141-I147 HydrophobicContact CG2-CG2 4.21Å
142D77.1Confident86.3Confident75 Ų7539.7 Ų39.740%0.40121%0.206SC..SBendtrans-138.6-175.7-178.7-76.5-38.2000111.5H144D142-H144 PolarHBondContact O-N 3.32Å
143S75.7Confident86.1Confident72 Ų7240.9 Ų40.950%0.50322%0.217SC..SBendtrans-61-26.9-179.656.40000114K18K18-S143 PolarHBondContact NZ-O 3.14Å
144H75.5Confident86.2Confident174 Ų17438 Ų3881%0.80620%0.204SC*.SBendtrans-118.2-11.3-173.5-61.8-69.9000114.7D142D142-H144 PolarHBondContact O-N 3.32Å
145T83.9Confident85.8Confident50 Ų5038.4 Ų38.431%0.30720%0.201SC..  trans-113.2125.1-171.3-49.30000110.9I112 V141I112-T145 HydrophobicContact CD1-CG2 4.15Å; I112-T145 HydrophobicContact CG2-CG2 3.88Å; V141-T145 PolarHBondContact N-O 3.42Å; V141-T145 VanDerWaalsContact N-O 3.16Å
146V87.5Confident85.6Confident32 Ų3240.6 Ų40.619%0.19422%0.215CC..EExtended strand (participates in β ladder)trans-124.8127.5179.1-173.80000109.1P138 V139 W140 Y148P138-V146 HydrophobicContact CB-CG1 3.83Å; V139-V146 WeakPolarHBondContact O-CA 3.25Å; W140-V146 HydrophobicContact CG-CG2 4.25Å; V146-Y148 HydrophobicContact CG1-CE2 4.29Å
147I89.4Confident85.1Confident1 Ų146.2 Ų46.21%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-104.7149.8171.663.3175.1000109.7D109 I112 L113 L120 V139 V141D109-I147 HydrophobicContact CB-CB 4.41Å; D109-I147 WeakPolarHBondContact OD1-CA 3.22Å; I112-I147 HydrophobicContact CB-CG2 3.86Å; I112-I147 HydrophobicContact CD1-CG2 4.47Å; I112-I147 HydrophobicContact CG2-CG2 3.49Å; I112-I147 VanDerWaalsContact CG2-CG2 3.49Å; L113-I147 HydrophobicContact CB-CD1 4.18Å; L113-I147 HydrophobicContact CD1-CD1 4.09Å; L113-I147 HydrophobicContact CG-CD1 4.27Å; L120-I147 HydrophobicContact CD1-CD1 4.25Å; V139-I147 HydrophobicContact CB-CD1 4.32Å; V139-I147 HydrophobicContact CB-CG1 3.81Å; V139-I147 PolarHBondContact N-O 3.4Å; V139-I147 WeakPolarHBondContact O-CG1 3.37Å; V139-I147 PolarHBondContact O-N 3.21Å; V141-I147 HydrophobicContact CG2-CD1 4.13Å; V141-I147 HydrophobicContact CG2-CG1 4.28Å; V141-I147 HydrophobicContact CG2-CG2 4.21Å
148Y89.9Confident84.8Confident48 Ų4847.3 Ų47.319%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-111.3126.3175.3-65.4-89000110.9K77 L105 D109 V136 P138 V146K77-Y148 HydrophobicContact CD-CD1 4.45Å; K77-Y148 HydrophobicContact CD-CE1 4.25Å; K77-Y148 VanDerWaalsContact CE-CE1 3.42Å; K77-Y148 HydrophobicContact CG-CD1 4.24Å; K77-Y148 HydrophobicContact CG-CE1 3.89Å; L105-Y148 HydrophobicContact CD2-CG 4.3Å; L105-Y148 PolarHBondContact N-O 3.12Å; D109-Y148 PolarHBondContact OD1-N 3.5Å; V136-Y148 HydrophobicContact CG1-CD1 4.47Å; P138-Y148 HydrophobicContact CB-CD1 4.09Å; P138-Y148 HydrophobicContact CB-CE1 3.79Å; V146-Y148 HydrophobicContact CG1-CE2 4.29Å
149I89.7Confident84.3Confident9 Ų951.8 Ų51.85%0.04628%0.279CS..EExtended strand (participates in β ladder)trans-114.7139.417864.8169.5000110.9V102 L113 I128 V136 F137 V139V102-I149 HydrophobicContact CG1-CB 3.49Å; V102-I149 VanDerWaalsContact CG1-CB 3.49Å; V102-I149 HydrophobicContact CG1-CD1 4.07Å; V102-I149 HydrophobicContact CG1-CG1 4.23Å; V102-I149 HydrophobicContact CG1-CG2 3.95Å; L113-I149 HydrophobicContact CD1-CG2 4.37Å; I128-I149 HydrophobicContact CD1-CD1 4.31Å; V136-I149 CarbonylContact C-O 3.5Å; V136-I149 WeakPolarHBondContact CA-O 3.46Å; F137-I149 HydrophobicContact CB-CG1 3.99Å; F137-I149 PolarHBondContact N-O 3.32Å; F137-I149 PolarHBondContact O-N 2.95Å; V139-I149 HydrophobicContact CG2-CD1 3.7Å; V139-I149 HydrophobicContact CG2-CG1 3.84Å
150I89.8Confident84.2Confident47 Ų4753.7 Ų53.724%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-110.8133.4172.3-171170.1000110.1V102 E103 G135 V136 T152V102-I150 CarbonylContact C-O 3.26Å; V102-I150 WeakPolarHBondContact CA-O 3.3Å; E103-I150 HydrophobicContact CB-CG2 3.76Å; E103-I150 PolarHBondContact N-O 3.45Å; E103-I150 VanDerWaalsContact O-CG2 3.31Å; E103-I150 WeakPolarHBondContact O-CG2 3.37Å; E103-I150 PolarHBondContact O-N 3.37Å; G135-I150 WeakPolarHBondContact O-CA 3.26Å; V136-I150 HydrophobicContact CG2-CB 4.28Å; V136-I150 HydrophobicContact CG2-CD1 4.08Å; V136-I150 HydrophobicContact CG2-CG1 4.04Å; I150-T152 PolarHBondContact O-N 3Å
151I90.1Very high84Confident2 Ų252.9 Ų52.91%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-85.3112178.2-51.5-58.8000109.3V100 V102 V131 H134 G135 F137 V154V100-I151 HydrophobicContact CG1-CD1 3.97Å; V100-I151 HydrophobicContact CG1-CG2 4Å; V102-I151 HydrophobicContact CG2-CD1 3.61Å; V131-I151 HydrophobicContact CB-CD1 4.31Å; V131-I151 HydrophobicContact CB-CG1 4.09Å; V131-I151 HydrophobicContact CG1-CD1 4.03Å; V131-I151 HydrophobicContact CG1-CG1 4.22Å; H134-I151 VanDerWaalsContact CA-O 3.24Å; H134-I151 WeakPolarHBondContact CA-O 3.5Å; H134-I151 PolarHBondContact N-O 3.32Å; G135-I151 PolarHBondContact O-N 2.72Å; F137-I151 HydrophobicContact CD2-CG1 3.98Å; F137-I151 HydrophobicContact CE2-CG1 3.89Å; I151-V154 HydrophobicContact CG2-CG1 3.75Å
152T86.3Confident84.3Confident50 Ų5056.9 Ų56.931%0.30730%0.298SS..EExtended strand (participates in β ladder)trans-83.1-45.9-177.2-14.40000111.5F101 E103 I150F101-T152 PolarHBondContact O-N 3.34Å; F101-T152 PolarHBondContact O-OG1 2.81Å; E103-T152 WeakPolarHBondContact CG-OG1 3.37Å; I150-T152 PolarHBondContact O-N 3Å
153S85.3Confident84.7Confident48 Ų4854 Ų5434%0.33628%0.282SS..EExtended strand (participates in β ladder)trans-157.6158.1177.765.50000111.7F101F101-S153 WeakPolarHBondContact CD2-OG 3.41Å; F101-S153 PolarHBondContact N-O 2.81Å
154V88.1Confident84.9Confident4 Ų455 Ų552%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-128.9147.3-179-630000110.5L97 V100 V131 Q133 I151 P156 V158L97-V154 HydrophobicContact CD1-CB 4.11Å; L97-V154 HydrophobicContact CD1-CG1 3.93Å; L97-V154 HydrophobicContact CD2-CB 3.9Å; L97-V154 HydrophobicContact CD2-CG2 4.26Å; V100-V154 HydrophobicContact CG1-CG1 4.27Å; V100-V154 HydrophobicContact CG2-CG1 4.35Å; V131-V154 HydrophobicContact CG2-CG1 4.23Å; Q133-V154 HydrophobicContact CG-CG2 4.03Å; I151-V154 HydrophobicContact CG2-CG1 3.75Å; V154-P156 CarbonylContact C-O 3.57Å; V154-P156 CarbonylContact O-C 3.56Å; V154-V158 HydrophobicContact CG2-CG2 4.23Å; V154-V158 VanDerWaalsContact CG2-O 3.24Å; V154-V158 WeakPolarHBondContact CG2-O 3.43Å
155Y75.8Confident84.9Confident138 Ų13854.4 Ų54.454%0.54128%0.277SS..EExtended strand (participates in β ladder)trans-127.4125.9176.6-172.3-94.7000110.7N98 R99N98-Y155 HydrophobicContact CB-CD1 4.23Å; N98-Y155 PolarHBondContact N-O 3.35Å; R99-Y155 PolarHBondContact N-O 2.87Å; R99-Y155 PolarHBondContact O-N 2.92Å
156P79.9Confident84.4Confident49 Ų4960.7 Ų60.732%0.31830%0.3SS..SBendcis-62.7158.9-1.127.5-35.5000113V154 V158V154-P156 CarbonylContact C-O 3.57Å; V154-P156 CarbonylContact O-C 3.56Å; P156-V158 VanDerWaalsContact C-N 3.35Å; P156-V158 WeakPolarHBondContact O-CG2 3.48Å; P156-V158 PolarHBondContact O-N 2.84Å
157L81.1Confident83.9Confident150 Ų15060.3 Ų60.379%0.78530%0.298SS*.  trans-72.786.9-174.7-125.1140.2000110.4
158V83.9Confident83.4Confident23 Ų2365 Ų6514%0.13932%0.32CS..  trans-119.1153.2178-670000110.3L97 Q133 V154 P156 Y160L97-V158 HydrophobicContact CD2-CG2 3.63Å; Q133-V158 PolarHBondContact NE2-O 3.15Å; Q133-V158 VanDerWaalsContact NE2-O 3.1Å; V154-V158 HydrophobicContact CG2-CG2 4.23Å; V154-V158 VanDerWaalsContact CG2-O 3.24Å; V154-V158 WeakPolarHBondContact CG2-O 3.43Å; P156-V158 VanDerWaalsContact C-N 3.35Å; P156-V158 WeakPolarHBondContact O-CG2 3.48Å; P156-V158 PolarHBondContact O-N 2.84Å; V158-Y160 VanDerWaalsContact C-N 3.27Å; V158-Y160 WeakPolarHBondContact CG2-O 3.4Å; V158-Y160 PolarHBondContact O-N 3.25Å
159P79.4Confident83Confident94 Ų9465.7 Ų65.761%0.6133%0.326SS*.SBendtrans-64.6-33.8179.324.5-33.7000112.5Q133Q133-P159 PolarHBondContact N-O 2.73Å
160Y87Confident82.4Confident41 Ų4167.9 Ų67.916%0.16134%0.34CS..EExtended strand (participates in β ladder)trans-148.1152.1173.159.1-89.4000108.9F51 Q93 V94 V131 V158F51-Y160 HydrophobicContact CB-CD2 4.48Å; F51-Y160 HydrophobicContact CB-CG 4.15Å; F51-Y160 AromaticContact CD1-CD1 3.69Å; F51-Y160 HydrophobicContact CD1-CD1 3.69Å; F51-Y160 HydrophobicContact CD1-CD2 4.28Å; F51-Y160 AromaticContact CD1-CE1 3.8Å; F51-Y160 HydrophobicContact CD1-CE1 3.8Å; F51-Y160 HydrophobicContact CD1-CE2 4.38Å; F51-Y160 AromaticContact CD1-CG 3.94Å; F51-Y160 HydrophobicContact CD1-CG 3.94Å; F51-Y160 AromaticContact CD2-CD1 3.6Å; F51-Y160 HydrophobicContact CD2-CD1 3.6Å; F51-Y160 HydrophobicContact CD2-CE1 4.43Å; F51-Y160 AromaticContact CD2-CG 3.82Å; F51-Y160 HydrophobicContact CD2-CG 3.82Å; F51-Y160 AromaticContact CE1-CD1 3.6Å; F51-Y160 HydrophobicContact CE1-CD1 3.6Å; F51-Y160 AromaticContact CE1-CE1 3.43Å; F51-Y160 HydrophobicContact CE1-CE1 3.43Å; F51-Y160 VanDerWaalsContact CE1-CE1 3.43Å; F51-Y160 HydrophobicContact CE1-CG 4.32Å; F51-Y160 AromaticContact CE2-CD1 3.51Å; F51-Y160 HydrophobicContact CE2-CD1 3.51Å; F51-Y160 HydrophobicContact CE2-CE1 4.13Å; F51-Y160 HydrophobicContact CE2-CG 4.21Å; F51-Y160 AromaticContact CG-CD1 3.69Å; F51-Y160 HydrophobicContact CG-CD1 3.69Å; F51-Y160 HydrophobicContact CG-CD2 4.26Å; F51-Y160 HydrophobicContact CG-CE1 4.29Å; F51-Y160 AromaticContact CG-CG 3.67Å; F51-Y160 HydrophobicContact CG-CG 3.67Å; F51-Y160 AromaticContact CZ-CD1 3.51Å; F51-Y160 HydrophobicContact CZ-CD1 3.51Å; F51-Y160 AromaticContact CZ-CE1 3.61Å; F51-Y160 HydrophobicContact CZ-CE1 3.61Å; F51-Y160 HydrophobicContact CZ-CG 4.45Å; Q93-Y160 PolarHBondContact O-OH 3.46Å; V94-Y160 HydrophobicContact CG1-CD2 4.3Å; V94-Y160 HydrophobicContact CG1-CE2 4.31Å; V94-Y160 HydrophobicContact CG2-CE2 4.14Å; V131-Y160 CarbonylContact O-C 3.6Å; V131-Y160 VanDerWaalsContact O-CA 3.29Å; V131-Y160 WeakPolarHBondContact O-CA 3.34Å; V158-Y160 VanDerWaalsContact C-N 3.27Å; V158-Y160 WeakPolarHBondContact CG2-O 3.4Å; V158-Y160 PolarHBondContact O-N 3.25Å
161G86.3Confident81.9Confident0 Ų067.3 Ų67.30%034%0.339CS..EExtended strand (participates in β ladder)trans-153.5160.4179.700000113.1S95 V130 V131S95-G161 VanDerWaalsContact O-CA 3.3Å; S95-G161 WeakPolarHBondContact O-CA 3.42Å; V130-G161 WeakPolarHBondContact CA-O 3.49Å; V131-G161 PolarHBondContact N-O 2.95Å; V131-G161 PolarHBondContact O-N 2.99Å
162R88.2Confident81.2Confident87 Ų8769.3 Ų69.333%0.32835%0.353SS..EExtended strand (participates in β ladder)trans-89.7136.9-178-178.6176.5176.7167.9-0.9110.7V94 S95 L97 R129V94-R162 HydrophobicContact CG1-CB 3.87Å; S95-R162 PolarHBondContact O-N 3.42Å; L97-R162 PolarHBondContact N-O 3.02Å; R129-R162 WeakPolarHBondContact O-CA 3.34Å
163L85.6Confident80.3Confident14 Ų1473.3 Ų73.37%0.07337%0.368CS..  trans-83.6132.8170.3-60.7176.9000109.8L97 V100 L125 I128 R129 V131 T167L97-L163 HydrophobicContact CD1-CD2 4.39Å; V100-L163 HydrophobicContact CG2-CD2 3.69Å; L125-L163 HydrophobicContact CD2-CB 3.68Å; I128-L163 HydrophobicContact CB-CD1 4.48Å; I128-L163 HydrophobicContact CG2-CD1 4.05Å; R129-L163 PolarHBondContact O-N 3.27Å; V131-L163 HydrophobicContact CG1-CD1 3.89Å; V131-L163 HydrophobicContact CG1-CD2 4.47Å; V131-L163 HydrophobicContact CG1-CG 4.26Å; V131-L163 HydrophobicContact CG2-CD2 3.98Å; V131-L163 HydrophobicContact CG2-CG 4.3Å; L163-T167 HydrophobicContact CD2-CG2 3.92Å
164E79.9Confident79.3Confident95 Ų9574.9 Ų74.944%0.44437%0.369SS..  trans-119.6168.8175.2-66.8-170172.700110.8S96 F166 T167S96-E164 VanDerWaalsContact CB-OE1 3.23Å; S96-E164 WeakPolarHBondContact CB-OE1 3.49Å; S96-E164 PolarHBondContact OG-OE1 2.74Å; E164-F166 PolarHBondContact O-N 2.9Å; E164-T167 PolarHBondContact N-OG1 2.81Å; E164-T167 PolarHBondContact O-N 2.85Å; E164-T167 PolarHBondContact O-OG1 2.87Å
165Q76.4Confident77.7Confident160 Ų16080.8 Ų80.875%0.74840%0.399SS*.THydrogen-bonded Turntrans-60.1-15.3-175.1-165.8172.62.100114.5L125L125-Q165 HydrophobicContact CD1-CB 4.4Å
166F72.3Confident76.4Confident182 Ų18280.8 Ų80.880%0.79840%0.398SS*.THydrogen-bonded Turntrans-119.915179.4-55.8-67.3000113.4E164 E168E164-F166 PolarHBondContact O-N 2.9Å; F166-E168 PolarHBondContact O-N 3.27Å
167T78.1Confident74.8Confident25 Ų2586 Ų8615%0.15343%0.429CS..  trans-70.6121.3174.5-58.10000109.9L97 V100 L163 E164 L169L97-T167 HydrophobicContact CB-CG2 4.09Å; L97-T167 WeakPolarHBondContact O-CB 3.39Å; L97-T167 VanDerWaalsContact O-CG2 3.29Å; L97-T167 WeakPolarHBondContact O-CG2 3.31Å; L97-T167 PolarHBondContact O-OG1 2.63Å; V100-T167 HydrophobicContact CG2-CG2 3.83Å; L163-T167 HydrophobicContact CD2-CG2 3.92Å; E164-T167 PolarHBondContact N-OG1 2.81Å; E164-T167 PolarHBondContact O-N 2.85Å; E164-T167 PolarHBondContact O-OG1 2.87Å; T167-L169 PolarHBondContact O-N 2.85Å
168E77.8Confident72.9Confident100 Ų10081.8 Ų81.847%0.46742%0.422SS..EExtended strand (participates in β ladder)trans-75.3118.9178.1-64.1176.517700110.6N98 R99 V100 F166N98-E168 PolarHBondContact O-N 2.8Å; R99-E168 CarbonylContact C-O 3.6Å; R99-E168 VanDerWaalsContact CA-O 3.29Å; R99-E168 WeakPolarHBondContact CA-O 3.39Å; R99-E168 HydrophobicContact CG-CB 4.18Å; R99-E168 IonicContact CZ-OE2 2.87Å; R99-E168 IonicContact NE-OE2 3.54Å; R99-E168 PolarHBondContact NE-OE2 3.07Å; R99-E168 IonicContact NH2-OE1 3.65Å; R99-E168 IonicContact NH2-OE2 3.7Å; R99-E168 PolarHBondContact NH2-OE2 3.17Å; V100-E168 PolarHBondContact N-O 3.03Å; F166-E168 PolarHBondContact O-N 3.27Å
169L81.6Confident70.3Confident61 Ų6189.6 Ų89.632%0.31946%0.459SS..EExtended strand (participates in β ladder)trans-92.1110.3174.1-164.477.5000109.8V100 V102 L124 T167 V171V100-L169 HydrophobicContact CB-CD1 4.09Å; V100-L169 HydrophobicContact CG1-CD1 4.17Å; V102-L169 HydrophobicContact CB-CD1 4.42Å; V102-L169 HydrophobicContact CG2-CD1 3.42Å; V102-L169 VanDerWaalsContact CG2-CD1 3.42Å; V102-L169 HydrophobicContact CG2-CG 4.09Å; L124-L169 HydrophobicContact CD2-CD2 3.99Å; T167-L169 PolarHBondContact O-N 2.85Å; L169-V171 HydrophobicContact CD2-CG2 4.05Å; L169-V171 HydrophobicContact CG-CG2 4.21Å
170V78Confident67.7Low56 Ų5690 Ų9034%0.33946%0.464SS..EExtended strand (participates in β ladder)trans-98.6106.6178.5-176.20000108.9V100 F101 V102V100-V170 PolarHBondContact O-N 3.04Å; F101-V170 CarbonylContact C-O 3.34Å; F101-V170 WeakPolarHBondContact CA-O 3.34Å; F101-V170 HydrophobicContact CD1-CB 3.71Å; F101-V170 HydrophobicContact CD1-CG1 3.74Å; F101-V170 HydrophobicContact CD1-CG2 4.38Å; F101-V170 HydrophobicContact CE1-CB 3.91Å; F101-V170 HydrophobicContact CE1-CG1 3.8Å; F101-V170 HydrophobicContact CE1-CG2 4.15Å; F101-V170 HydrophobicContact CG-CB 4.42Å; V102-V170 PolarHBondContact N-O 3.08Å
171V79.8Confident64.8Low35 Ų3597.1 Ų97.121%0.21250%0.496CS..EExtended strand (participates in β ladder)trans-95.8122.4-178.9-167.40000110.5V102 W110 L113 L169V102-V171 CarbonylContact O-C 3.48Å; V102-V171 VanDerWaalsContact O-CA 3.27Å; V102-V171 WeakPolarHBondContact O-CA 3.44Å; W110-V171 HydrophobicContact CE3-CG1 4.12Å; W110-V171 HydrophobicContact CZ3-CB 4.18Å; W110-V171 HydrophobicContact CZ3-CG1 3.68Å; L113-V171 HydrophobicContact CD1-CG1 4.03Å; L113-V171 HydrophobicContact CD1-CG2 4.46Å; L113-V171 HydrophobicContact CD2-CG1 4.3Å; L113-V171 HydrophobicContact CD2-CG2 4.37Å; L169-V171 HydrophobicContact CD2-CG2 4.05Å; L169-V171 HydrophobicContact CG-CG2 4.21Å
172S75.4Confident62.1Low43 Ų43105.3 Ų105.330%0.30154%0.538SS..PPolyproline II helixtrans-76.2134.8174.8-45.70000110.9V102 E103 P104V102-S172 PolarHBondContact O-N 3.1Å; E103-S172 PolarHBondContact OE1-OG 3.35Å; P104-S172 VanDerWaalsContact CD-O 3.31Å; P104-S172 WeakPolarHBondContact CD-O 3.44Å
173Q67.2Low59.1Low135 Ų135105.9 Ų105.963%0.63156%0.555SS**PPolyproline II helixtrans-68.8136.7176.7-56.2-169.7-28.900111.3W110W110-Q173 HydrophobicContact CH2-CB 4.22Å; W110-Q173 HydrophobicContact CH2-CG 3.59Å; W110-Q173 HydrophobicContact CZ2-CB 4.09Å; W110-Q173 HydrophobicContact CZ2-CG 3.61Å; W110-Q173 HydrophobicContact CZ3-CG 4.29Å
174K63.5Low56.2Low81 Ų81113.6 Ų113.635%0.35260%0.597SS.*  trans-119.582.6174.7-137.2176.6-165.1170.70109.7P104 L105P104-K174 HydrophobicContact CG-CB 3.96Å; P104-K174 HydrophobicContact CG-CD 4.35Å; P104-K174 WeakPolarHBondContact O-CD 3.49Å; P104-K174 PolarHBondContact O-NZ 3.13Å; L105-K174 PolarHBondContact O-NZ 3.09Å
175I53.6Low53.6Low127 Ų127113 Ų11365%0.65161%0.608SS**  trans-71.2135.8-178.7-54.1171.1000108.9T177I175-T177 PolarHBondContact O-N 2.68Å
176R50.1Low51.2Low138 Ų138111.7 Ų111.752%0.52161%0.611SS.*  trans-52.5127.4171.2-78.2-175.3176.1140.27.7109.2D108 E111 G178D108-R176 IonicContact OD1-CZ 3.38Å; D108-R176 IonicContact OD1-NH2 3.23Å; D108-R176 PolarHBondContact OD1-NH2 3.3Å; E111-R176 IonicContact OE1-CZ 3.79Å; E111-R176 VanDerWaalsContact OE1-CZ 3.26Å; E111-R176 IonicContact OE1-NE 3.85Å; E111-R176 IonicContact OE1-NH1 2.66Å; E111-R176 PolarHBondContact OE1-NH1 3.44Å; E111-R176 IonicContact OE1-NH2 3.7Å; E111-R176 PolarHBondContact OE1-NH2 3.48Å; E111-R176 IonicContact OE2-NH2 2.64Å; R176-G178 PolarHBondContact O-N 2.75Å
177T45.9Very low48.9Very low158 Ų158112.8 Ų112.897%0.96961%0.61SS**SBendtrans-66.284.2173.4260000109.6I175I175-T177 PolarHBondContact O-N 2.68Å
178G40.9Very low46.2Very low63 Ų63122 Ų12265%0.64964%0.641SS**SBendtrans170.847.4-174.700000112R176R176-G178 PolarHBondContact O-N 2.75Å
179M28.5Very low43.7Very low186 Ų186123.4 Ų123.492%0.91666%0.657SS**  trans179.395.8151.9-97.51629400108.1
180S25Very low40.8Very low102 Ų102127 Ų12771%0.71368%0.676SS**  trans-98.2142.1169.867.70000109.5
181K26.7Very low38.2Very low192 Ų192129.9 Ų129.984%0.83569%0.689SS**  trans91.199.6161.6-54.4177.2-176.9-179.30116.8
182I29.9Very low35.5Very low171 Ų171134.2 Ų134.288%0.87771%0.711SS**SBend-170.7122126.2-76.7135.7000101.5
183S25Very low33Very low99 Ų99138.7 Ų138.769%0.69273%0.727SS**  cis-162.1119.420.839.80000108.4A185S183-A185 PolarHBondContact O-N 2.95Å
184D25.5Very low30.9Very low177 Ų177139.2 Ų139.295%0.94773%0.73SS**  trans-68.4113.8142.8-96.1-38000107
185A24.2Very low28.9Very low83 Ų83139.5 Ų139.569%0.68674%0.742SS**  trans-163.2135153.300000111.6S183S183-A185 PolarHBondContact O-N 2.95Å
186V27.1Very low27.4Very low132 Ų132141 Ų14180%0.875%0.746SS**  trans89.677.7168.9-161.80000114
187R22.4Very low26.1Very low205 Ų205143.8 Ų143.877%0.77476%0.762SS**  66107.284.2-72.2-173.7175.2-179.41.1112.9
188R23Very low25Very low217 Ų217144.1 Ų144.182%0.81975%0.753SS**  69121.2100.6-73-176.8-178.6171.2-0.6113.8
189V24.3Very low24.5Very low131 Ų131146.2 Ų146.279%0.79476%0.755SS**  -170110.7124169.20000103.8
190N21.5Very low24.2Very low135 Ų135143.9 Ų143.972%0.72275%0.746SS**  53.8140.599.4-85.22.1000112.6
191L23.3Very low24.3Very low117 Ų117143.6 Ų143.661%0.61374%0.744SS**  cis-177.6152.710.7-103.9154.7000103.9
192D22.5Very low24.1Very low126 Ų126140.5 Ų140.567%0.67474%0.742SS**  trans64.4146.2139.8-64.1-10000119.2
193E23Very low23.9Very low137 Ų137139.5 Ų139.564%0.6474%0.737SS**  cis-173.2156.110.7-118178.2152.400108.3
194Q23.1Very low23.8Very low147 Ų147139.8 Ų139.869%0.68774%0.739SS**  trans61.1110.7142.8-66.3176.429.900119.7
195S22.3Very low23.7Very low87 Ų87135.9 Ų135.961%0.60873%0.726SS**  90.4136.370.978.70000115.4
196H22.2Very low23.7Very low157 Ų157137 Ų13773%0.72773%0.728SS**  trans74.5114.8159.3-64-70.3000120.7
197F21.8Very low23.7Very low197 Ų197136 Ų13686%0.86473%0.727SS**  173.4122.888.4-103.2-81.3000110.2
198Q22Very low23.7Very low165 Ų165134.7 Ų134.777%0.77173%0.73SS**  trans-81.1162.1148.1-107.3-179.2-10.800107.4
199P31.5Very low24Very low107 Ų107130 Ų13070%0.69573%0.728SS**  cis-152.3167.448.337.6-14.2000118.5
200D21.2Very low24Very low137 Ų137128.6 Ų128.673%0.73372%0.724SS**  trans65.6118.2136.6-62-14.6000124.5
201S27.6Very low24.8Very low97 Ų97127.1 Ų127.168%0.67872%0.721SS**  trans-40155143.355.10000117.2
202T22.6Very low24.7Very low127 Ų127130.1 Ų130.178%0.77973%0.733SS**  trans-146.3115.3137.9410000107.8
203L25.9Very low24.9Very low149 Ų149129.9 Ų129.978%0.7874%0.735SS**  69.7108.691.1-75.2162.6000112.4
204S23Very low24.9Very low105 Ų105129.3 Ų129.373%0.73474%0.741SS**  111.3152.786.573.20000107.9
205S24.1Very low24.9Very low95 Ų95128 Ų12866%0.66475%0.748SS**  cis-175.6152.927.741.80000110.6
206S24.3Very low25.1Very low106 Ų106132.8 Ų132.874%0.74176%0.761SS**  trans60.2145.9133.366.50000121.1
207S25.2Very low25.6Very low111 Ų111131.6 Ų131.678%0.77677%0.767SS**  cis178.5153.5239.50000108.8
208E23.3Very low25.6Very low178 Ų178125.6 Ų125.683%0.83276%0.76SS**  trans-56.7164.8163.1-97.6178.8-17100114.5
209P30.2Very low25.7Very low120 Ų120125.9 Ų125.978%0.77977%0.767SS**  -150.1168.265.636.8-13.2000120.1
210S22.7Very low25.3Very low101 Ų101126 Ų12671%0.70677%0.77SS**  trans-55.9-179.1168.155.20000115.7
211P39.1Very low25.5Very low103 Ų103127.8 Ų127.867%0.66977%0.774SS**  cis-151.4173.225.340.6-16.3000120.6
212E22Very low25.3Very low181 Ų181130.2 Ų130.285%0.84678%0.775SS**  trans50.5152137.7-67.5177.8-171.100122.5
213V24.8Very low25.4Very low120 Ų120135.4 Ų135.473%0.72778%0.78SS**  cis-167.4161.9-1.5137.30000108.8
214T23.3Very low25.2Very low125 Ų125132.4 Ų132.477%0.76779%0.785SS**  trans-59159.8-177.845.60000118.9
215S22.9Very low25.2Very low120 Ų120130.8 Ų130.884%0.83979%0.785SS**  -176.3134.9128.443.70000114.3
216H27Very low25.2Very low188 Ų188134.5 Ų134.587%0.8780%0.796SS**  trans-86.6163.9160-74.1-65.8000109
217P33.3Very low25.1Very low131 Ų131133.6 Ų133.685%0.85179%0.794SS**  -159.3167.464.238.7-14.3000119.9
218G22.3Very low25.1Very low71 Ų71135.9 Ų135.973%0.73280%0.798SS**  65.7109124.300000125.1
219L24.1Very low25.4Very low172 Ų172134.5 Ų134.590%0.90180%0.796SS**  trans48.1122.2131.6-84.2135.8000123.6
220S22.9Very low25.3Very low110 Ų110140.6 Ų140.677%0.76980%0.803SS**  149.3139.7105.9610000116.3
221Q25Very low25.5Very low174 Ų174141.7 Ų141.781%0.81381%0.811SS**  trans22.1127153-69.9-176-11.600122
222Q24Very low25.1Very low148 Ų148144 Ų14469%0.69282%0.817SS**  94.2120.668.2-154.7-165.9-100113.6
223W22.8Very low25.4Very low235 Ų235143.5 Ų143.589%0.8982%0.818SS**  158.9136.2128.3-96.251.6000115.2
224G22.2Very low25.6Very low86 Ų86145.9 Ų145.989%0.88782%0.821SS**  trans75.5139.4154.400000117.8
225G22.6Very low25.9Very low71 Ų71148.9 Ų148.973%0.73283%0.826SS**  cis163.9135.52.900000109.7
226I25Very low26.3Very low173 Ų173150.7 Ų150.789%0.88783%0.825SS**  trans69131.4148.8-55.8172.2000121.5
227A23.2Very low26.4Very low87 Ų87149.5 Ų149.572%0.71982%0.823SS**  trans78.3113.4158.300000118.7
228D24.4Very low26.1Very low159 Ų159155 Ų15585%0.8583%0.827SS**  -158.4141.698.7-136.3-12000113.7
229L29.4Very low26.2Very low150 Ų150155 Ų15579%0.78583%0.826SS**  trans-79.5109.4179.9-88140.7000110
230R27.2Very low26.6Very low247 Ų247152 Ų15293%0.93282%0.817SS**  trans-163.653.5165.1-117172.8-164.1-167.95.8116.7
231S28.8Very low26.8Very low125 Ų125158 Ų15887%0.87483%0.825SS**SBendtrans-145.87.3159.1520000114.5
232L30.6Very low27Very low152 Ų152157.4 Ų157.480%0.79683%0.827SS**SBendtrans-115.790.8171.4-92.4155.1000108.2
233I28.2Very low27.5Very low169 Ų169159.4 Ų159.487%0.86784%0.836SS**  trans171.382.6147.7-78.5145.8000105.2
234H28.5Very low28.1Very low171 Ų171150.7 Ų150.779%0.79281%0.814SS**SBendtrans-149.422.6154-145.9-53.5000113.5
235H28.7Very low28.8Very low188 Ų188152.5 Ų152.587%0.8781%0.81SS**  trans-13860.9172.5-76.2-54.8000111.7
236I31.1Very low29.9Very low158 Ų158152.3 Ų152.381%0.8180%0.795SS**SBendtrans-131.7125.3154.2-58.9179.7000104.7
237I30Very low31.1Very low163 Ų163145.3 Ų145.384%0.83676%0.76SS**SBendtrans95.477.6-172.7-45.9159.8000114.2
238R27.5Very low32.2Very low247 Ų247148.6 Ų148.693%0.93277%0.766SS**  -169.4135.3119.8-104.3178.7-179.4-177.50.7110.5
239G24.9Very low33.6Very low70 Ų70142.8 Ų142.872%0.72274%0.735SS**  trans-76.7-169.4-179.100000114.6
240P30.8Very low34.7Very low109 Ų109138.1 Ų138.171%0.70871%0.713SS**  -99.9132.5-123.435-31.8000113.4
241Y27.4Very low36Very low236 Ų236131.9 Ų131.993%0.92570%0.702SS**  trans-159.1101.8149.1-90.7-73.1000106.9
242D28.9Very low37.3Very low162 Ų162127.6 Ų127.687%0.86667%0.671SS**PPolyproline II helixtrans-76.8123.1-169.8-73.7-38.8000112.9
243H34.4Very low38.7Very low189 Ų189120.6 Ų120.688%0.87563%0.634SS**PPolyproline II helixtrans-101.9128.6154.3-76.2-62.8000108.4
244A36.4Very low40.2Very low52 Ų52116.2 Ų116.243%0.4362%0.616SS.*PPolyproline II helixtrans-64142.9177.400000111.5V246A244-V246 PolarHBondContact O-N 2.72Å
245P36.7Very low42.1Very low124 Ų124111.4 Ų111.481%0.80560%0.596SS**PPolyproline II helixtrans-66.8126.818026.4-32.2000110.9
246V46.8Very low44.1Very low68 Ų68103.1 Ų103.141%0.41256%0.56SS.*PPolyproline II helixtrans-82.8128.5-179.6179.70000109.9A244 T405A244-V246 PolarHBondContact O-N 2.72Å; V246-T405 WeakPolarHBondContact CG1-OG1 3.42Å
247P48.8Very low46.3Very low25 Ų2597.1 Ų97.116%0.16253%0.53CS..PPolyproline II helixtrans-73.9135.2179.426.7-31.3000112.5P443 L484P247-P443 HydrophobicContact CB-CB 4.08Å; P247-P443 HydrophobicContact CG-CB 4.19Å; P247-L484 HydrophobicContact CG-CD1 4.48Å
248N45.8Very low48.6Very low157 Ų15789.4 Ų89.484%0.8449%0.491SS*.PPolyproline II helixtrans-77.6131.9172.8-77.3-33.8000110.8
249I55.7Low51Low37 Ų3777.6 Ų77.619%0.1945%0.446CS..PPolyproline II helixtrans-82.2124.1178.3-57.3170.1000109.2V251 T405 L447 L482I249-V251 PolarHBondContact O-N 2.98Å; I249-T405 HydrophobicContact CD1-CG2 4.36Å; I249-L447 HydrophobicContact CD1-CD1 4.46Å; I249-L447 HydrophobicContact CG1-CD1 4.32Å; I249-L482 HydrophobicContact CD1-CD1 3.49Å; I249-L482 VanDerWaalsContact CD1-CD1 3.49Å
250P50.8Low53.5Low52 Ų5274.5 Ų74.534%0.33841%0.413SS..PPolyproline II helixtrans-72128.4177.623.1-24.8000111.1V252 T300P250-V252 HydrophobicContact CB-CG2 4.02Å; P250-V252 HydrophobicContact CG-CG2 4.46Å; P250-V252 PolarHBondContact O-N 3.38Å; P250-T300 HydrophobicContact CG-CG2 4.11Å; P250-T300 WeakPolarHBondContact O-CG2 3.34Å
251V54.9Low55.4Low115 Ų11569.7 Ų69.770%0.69738%0.382SS*.  trans-84.494.4174.9-1760000108.2I249 P400I249-V251 PolarHBondContact O-N 2.98Å; V251-P400 HydrophobicContact CG1-CB 4.29Å; V251-P400 HydrophobicContact CG1-CG 4.46Å
252V56.3Low57.2Low36 Ų3660.5 Ų60.522%0.21836%0.36CS..  trans-98.3-19.5-172.6-178.50000112.9P250 V298 T300 A363P250-V252 HydrophobicContact CB-CG2 4.02Å; P250-V252 HydrophobicContact CG-CG2 4.46Å; P250-V252 PolarHBondContact O-N 3.38Å; V252-V298 HydrophobicContact CG2-CG1 3.86Å; V252-T300 HydrophobicContact CB-CG2 3.98Å; V252-T300 HydrophobicContact CG2-CG2 3.52Å; V252-A363 HydrophobicContact CG1-CB 3.72Å
253F60.2Low58.8Low5 Ų555.4 Ų55.42%0.02234%0.34CS..SBendtrans-134.2143.3-177.358.9-91000112.5L366 I398 P400F253-L366 HydrophobicContact CB-CD2 4.48Å; F253-I398 HydrophobicContact CE2-CB 4.27Å; F253-I398 HydrophobicContact CE2-CG2 3.58Å; F253-I398 HydrophobicContact CZ-CG2 3.76Å; F253-P400 HydrophobicContact CE2-CB 4.06Å; F253-P400 HydrophobicContact CZ-CB 4.24Å
254P59.5Low60.1Low76 Ų7649 Ų4949%0.49432%0.315SS..  trans-73.4163.9170.128.3-30.2000111.9S256P254-S256 WeakPolarHBondContact O-CB 3.47Å; P254-S256 PolarHBondContact O-N 2.81Å; P254-S256 PolarHBondContact O-OG 3.29Å
255D69.2Low61.3Low70 Ų7048.4 Ų48.437%0.37431%0.306SS..SBendtrans-59.9110.9171.9-179.13.7000109.2R397 K399D255-R397 IonicContact OD1-CZ 3.47Å; D255-R397 IonicContact OD1-NE 3.48Å; D255-R397 PolarHBondContact OD1-NE 3.47Å; D255-R397 IonicContact OD1-NH2 2.68Å; D255-R397 PolarHBondContact OD1-NH2 2.8Å; D255-R397 IonicContact OD2-CZ 3.99Å; D255-R397 IonicContact OD2-NE 3.44Å; D255-R397 PolarHBondContact OD2-NE 2.79Å; D255-R397 IonicContact OD2-NH2 3.52Å; D255-R397 PolarHBondContact OD2-NH2 2.97Å; D255-K399 WeakPolarHBondContact OD1-CG 3.38Å
256S70.3Confident62.1Low14 Ų1449.2 Ų49.210%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-150.4152-163.7-70.40000112.5P254 Y258 C375 R397 I398P254-S256 WeakPolarHBondContact O-CB 3.47Å; P254-S256 PolarHBondContact O-N 2.81Å; P254-S256 PolarHBondContact O-OG 3.29Å; S256-Y258 WeakPolarHBondContact O-CD2 3.39Å; S256-Y258 WeakPolarHBondContact O-CE2 3.38Å; S256-C375 VanDerWaalsContact CB-SG 3.55Å; S256-C375 PolarHBondContact OG-SG 3.32Å; S256-R397 WeakPolarHBondContact O-CA 3.33Å; S256-I398 PolarHBondContact O-N 3.1Å
257V77.5Confident62.2Low32 Ų3253.4 Ų53.419%0.19431%0.312CS..EExtended strand (participates in β ladder)trans-97134.2177.8-175.90000109.2C375 R397V257-C375 PolarHBondContact O-N 3.46Å; V257-R397 HydrophobicContact CG2-CB 4.27Å; V257-R397 HydrophobicContact CG2-CG 4.35Å
258Y76.8Confident62.3Low1 Ų152.8 Ų52.80%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-127.3151.9-178.1-62.2-89.9000110.8S256 I281 L366 C375 V378 S395 V396 I398S256-Y258 WeakPolarHBondContact O-CD2 3.39Å; S256-Y258 WeakPolarHBondContact O-CE2 3.38Å; Y258-I281 HydrophobicContact CD1-CG2 3.84Å; Y258-I281 HydrophobicContact CE1-CD1 4.44Å; Y258-I281 HydrophobicContact CE1-CG2 3.52Å; Y258-I281 HydrophobicContact CE2-CD1 4.47Å; Y258-L366 HydrophobicContact CE1-CD2 3.97Å; Y258-L366 WeakPolarHBondContact OH-CD2 3.42Å; Y258-C375 HydrophobicContact CE1-CB 4.16Å; Y258-V378 HydrophobicContact CD1-CG2 3.81Å; Y258-V378 HydrophobicContact CD2-CG2 4.32Å; Y258-V378 HydrophobicContact CG-CG2 3.56Å; Y258-S395 WeakPolarHBondContact O-CA 3.31Å; Y258-V396 PolarHBondContact N-O 3.41Å; Y258-V396 PolarHBondContact O-N 2.87Å; Y258-I398 HydrophobicContact CD2-CB 4.14Å; Y258-I398 HydrophobicContact CD2-CD1 3.79Å; Y258-I398 HydrophobicContact CD2-CG1 3.87Å; Y258-I398 HydrophobicContact CE2-CB 4.05Å; Y258-I398 HydrophobicContact CE2-CD1 4.18Å; Y258-I398 HydrophobicContact CE2-CG1 4.26Å; Y258-I398 HydrophobicContact CG-CD1 4.4Å
259R78.1Confident62.2Low0 Ų049.5 Ų49.50%030%0.296CS..EExtended strand (participates in β ladder)trans-93.4135.2177.7-177.7-180-172.6-117.416.7111.6W284 G376 K377 V378 D589 G622 Q623 P624R259-W284 HydrophobicContact CB-CZ3 4.02Å; R259-G376 PolarHBondContact N-O 3.47Å; R259-G376 VanDerWaalsContact N-O 3.08Å; R259-K377 CarbonylContact O-C 3.58Å; R259-V378 PolarHBondContact O-N 3.23Å; R259-D589 VanDerWaalsContact CZ-O 3.24Å; R259-D589 PolarHBondContact NH1-O 2.94Å; R259-D589 IonicContact NH1-OD2 3.88Å; R259-D589 PolarHBondContact NH1-OD2 2.91Å; R259-D589 VanDerWaalsContact NH1-OD2 3.11Å; R259-D589 PolarHBondContact NH2-O 3.4Å; R259-G622 PolarHBondContact NE-O 3.21Å; R259-G622 PolarHBondContact NH2-O 2.8Å; R259-Q623 WeakPolarHBondContact CD-O 3.12Å; R259-Q623 PolarHBondContact NE-O 3.14Å; R259-P624 PolarHBondContact NH2-O 3.01Å; R259-P624 VanDerWaalsContact NH2-O 3.1Å
260V78.2Confident61.3Low5 Ų553.8 Ų53.83%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-80.5122.3175.8-177.60000110.7V378 I380 I390 H393 S394 V396V260-V378 CarbonylContact C-O 3.45Å; V260-V378 VanDerWaalsContact CA-O 3.26Å; V260-V378 WeakPolarHBondContact CA-O 3.49Å; V260-I380 HydrophobicContact CG1-CD1 4.33Å; V260-I380 HydrophobicContact CG1-CG1 4.4Å; V260-I380 HydrophobicContact CG2-CD1 3.84Å; V260-I390 HydrophobicContact CG1-CG2 4.46Å; V260-I390 HydrophobicContact CG2-CG2 3.89Å; V260-H393 WeakPolarHBondContact O-CA 3.21Å; V260-H393 PolarHBondContact O-N 3.45Å; V260-S394 WeakPolarHBondContact CB-O 3.43Å; V260-S394 WeakPolarHBondContact CG2-O 3.37Å; V260-S394 PolarHBondContact N-O 2.97Å; V260-V396 HydrophobicContact CG2-CB 4.31Å; V260-V396 HydrophobicContact CG2-CG2 3.43Å; V260-V396 VanDerWaalsContact CG2-CG2 3.43Å
261C71Confident60.8Low7 Ų756 Ų565%0.04733%0.332CS..PPolyproline II helixtrans-77.4139.5173.2-73.70000111.5V378 D589C261-V378 PolarHBondContact N-O 3.06Å; C261-D589 PolarHBondContact SG-OD2 3.29Å
262G64.2Low59.8Low44 Ų4456.2 Ų56.245%0.45434%0.339SS..SBendtrans-76-31.8175.600000113.5D589G262-D589 PolarHBondContact N-OD1 3.36Å
263A63.1Low59.1Low54 Ų5461.9 Ų61.945%0.44636%0.363SS..SBendtrans-119.4150178.400000111.9
264P61.9Low58.6Low54 Ų5466.6 Ų66.635%0.35139%0.387SS..  trans-65.6132.7171.827.4-32.2000109.9W379P264-W379 HydrophobicContact CB-CZ2 4.17Å
265P61.5Low58.3Low40 Ų4065.5 Ų65.526%0.2639%0.385SS..  trans-59.9144.7174.2-24.533.9000112.1R267 L268 F282P265-R267 PolarHBondContact O-N 3.19Å; P265-L268 PolarHBondContact O-N 3.07Å; P265-F282 HydrophobicContact CG-CD2 4.1Å; P265-F282 HydrophobicContact CG-CE2 3.74Å; P265-F282 HydrophobicContact CG-CZ 4.02Å
266D53.6Low57.3Low142 Ų14263.9 Ų63.976%0.75938%0.381SS*.THydrogen-bonded Turntrans-51.1-27.8-177.6-66.4-33.7000114.7L268 C269D266-L268 VanDerWaalsContact C-N 3.26Å; D266-L268 PolarHBondContact O-N 3.02Å; D266-C269 PolarHBondContact O-N 3.05Å
267R49.4Very low56.6Low155 Ų15564.4 Ų64.459%0.58539%0.389SS*.THydrogen-bonded Turntrans-66.6-22.1176.3-67.8-172.8179.2-174.90.2113.9P265 D362P265-R267 PolarHBondContact O-N 3.19Å; R267-D362 IonicContact NH1-OD2 2.75Å
268L50.4Low56.1Low13 Ų1363.6 Ų63.67%0.06838%0.384CS..THydrogen-bonded Turntrans-89.2-23.1176.8-69.5-177.6000112.9P265 D266 T270 I271 H280 F282 W379P265-L268 PolarHBondContact O-N 3.07Å; D266-L268 VanDerWaalsContact C-N 3.26Å; D266-L268 PolarHBondContact O-N 3.02Å; L268-T270 PolarHBondContact O-N 3.45Å; L268-T270 VanDerWaalsContact O-N 3.1Å; L268-I271 HydrophobicContact CD2-CD1 4.45Å; L268-I271 PolarHBondContact O-N 3.02Å; L268-H280 HydrophobicContact CD1-CB 4.29Å; L268-F282 HydrophobicContact CD1-CE2 4.21Å; L268-F282 HydrophobicContact CD1-CZ 3.76Å; L268-F282 HydrophobicContact CD2-CZ 4.21Å; L268-F282 HydrophobicContact CG-CZ 3.88Å; L268-W379 HydrophobicContact CD1-CD2 4.42Å; L268-W379 HydrophobicContact CD1-CE3 4.12Å
269C43.2Very low55.8Low88 Ų8863.6 Ų63.660%0.59538%0.384SS*.THydrogen-bonded Turntrans-63.3-18-177.8-62.30000113.2D266D266-C269 PolarHBondContact O-N 3.05Å
270T37.5Very low55.6Low126 Ų12664.8 Ų64.877%0.77339%0.389SS*.THydrogen-bonded Turntrans-90.5-10177.8-20.70000113.8L268L268-T270 PolarHBondContact O-N 3.45Å; L268-T270 VanDerWaalsContact O-N 3.1Å
271I40.9Very low55.5Low99 Ų9964.5 Ų64.551%0.50839%0.388SS..  trans-101.5113.3-175-56.3174.8000109.5L268 Q273L268-I271 HydrophobicContact CD2-CD1 4.45Å; L268-I271 PolarHBondContact O-N 3.02Å; I271-Q273 PolarHBondContact O-N 3.14Å
272S32.8Very low55.5Low120 Ų12065.3 Ų65.384%0.83939%0.391SS*.SBendtrans-72.812.3-169.556.90000116.7
273Q41Very low55.5Low154 Ų15464.5 Ų64.572%0.7238%0.377SS*.  trans-137.876.1-175.7-67.2-172.9-2.300112.3I271 A275I271-Q273 PolarHBondContact O-N 3.14Å; Q273-A275 PolarHBondContact O-N 3.48Å
274I49.7Very low55.4Low104 Ų10464.7 Ų64.753%0.53337%0.366SS..  trans-77.5102.7164-61.4172.3000107.4W379I274-W379 HydrophobicContact CD1-CH2 4.27Å; I274-W379 HydrophobicContact CG2-CH2 3.61Å; I274-W379 HydrophobicContact CG2-CZ3 4.05Å
275A53.4Low55Low53 Ų5365.7 Ų65.744%0.43837%0.374SS..  trans-82.1131.9173.800000110.1Q273 G277 V278Q273-A275 PolarHBondContact O-N 3.48Å; A275-G277 PolarHBondContact O-N 3.03Å; A275-V278 HydrophobicContact CB-CG2 3.89Å; A275-V278 PolarHBondContact O-N 3.46Å
276A49.7Very low54.4Low36 Ų3667 Ų6730%0.29838%0.383SS..THydrogen-bonded Turntrans-64.512-174.300000116.1P383 L384A276-P383 HydrophobicContact CB-CG 4.24Å; A276-L384 WeakPolarHBondContact O-CG 3.48Å
277G55.8Low53.6Low25 Ų2563 Ų6326%0.25837%0.366SS..THydrogen-bonded Turntrans-136.55.9-173.900000114.9A275A275-G277 PolarHBondContact O-N 3.03Å
278V65.2Low53.1Low16 Ų1663.2 Ų63.210%0.09738%0.378CS..EExtended strand (participates in β ladder)trans-117.6131.1-170.3-176.40000111A275 R357 V359 P381A275-V278 HydrophobicContact CB-CG2 3.89Å; A275-V278 PolarHBondContact O-N 3.46Å; V278-R357 WeakPolarHBondContact CA-O 3.48Å; V278-R357 HydrophobicContact CG1-CG 4.45Å; V278-R357 HydrophobicContact CG2-CB 4.3Å; V278-R357 HydrophobicContact CG2-CG 4.3Å; V278-V359 HydrophobicContact CG1-CB 4.4Å; V278-V359 HydrophobicContact CG1-CG2 3.49Å; V278-V359 VanDerWaalsContact CG1-CG2 3.49Å; V278-P381 WeakPolarHBondContact O-CD 3.47Å; V278-P381 WeakPolarHBondContact O-CG 3.42Å
279I71.4Confident52.2Low1 Ų167.3 Ų67.31%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-101.8140.2177-60-173000109.4L304 V356 R357 V358 V359 V378 I380I279-L304 HydrophobicContact CD1-CD1 3.81Å; I279-L304 HydrophobicContact CD1-CD2 3.87Å; I279-L304 HydrophobicContact CD1-CG 4.45Å; I279-V356 HydrophobicContact CD1-CB 3.9Å; I279-V356 HydrophobicContact CD1-CG1 4.1Å; I279-V356 HydrophobicContact CD1-CG2 3.55Å; I279-V356 HydrophobicContact CG1-CB 4.31Å; I279-V356 HydrophobicContact CG1-CG2 4.32Å; I279-R357 PolarHBondContact N-O 3.15Å; I279-V358 CarbonylContact O-C 3.51Å; I279-V358 WeakPolarHBondContact O-CA 3.18Å; I279-V359 PolarHBondContact O-N 3.27Å; I279-V378 HydrophobicContact CG2-CG1 3.28Å; I279-I380 HydrophobicContact CD1-CG1 4.25Å; I279-I380 HydrophobicContact CG2-CG1 4.37Å
280H72.9Confident51.7Low24 Ų2466.7 Ų66.711%0.11140%0.402CS..EExtended strand (participates in β ladder)trans-111.5130178.4-67.3-86.2000111.3L268 F282 V359 H361 V378 W379L268-H280 HydrophobicContact CD1-CB 4.29Å; H280-F282 HydrophobicContact CB-CE2 3.72Å; H280-F282 HydrophobicContact CB-CZ 3.91Å; H280-V359 WeakPolarHBondContact CA-O 3.44Å; H280-H361 AromaticContact ND1-NE2 3.29Å; H280-H361 PolarHBondContact ND1-NE2 2.73Å; H280-V378 CarbonylContact O-C 3.52Å; H280-V378 WeakPolarHBondContact O-CA 3.49Å; H280-W379 AromaticContact CD2-CE3 3.78Å; H280-W379 AromaticContact CD2-CZ3 3.99Å; H280-W379 PolarHBondContact N-O 2.83Å; H280-W379 PolarHBondContact O-N 3.09Å
281I76.1Confident51.5Low0 Ų064.8 Ų64.80%040%0.399CS..EExtended strand (participates in β ladder)trans-108.4136.9177.6-47.1-163000110.3Y258 V358 V359 H361 L366 K377 V378 I398Y258-I281 HydrophobicContact CD1-CG2 3.84Å; Y258-I281 HydrophobicContact CE1-CD1 4.44Å; Y258-I281 HydrophobicContact CE1-CG2 3.52Å; Y258-I281 HydrophobicContact CE2-CD1 4.47Å; I281-V358 HydrophobicContact CD1-CG1 3.34Å; I281-V358 HydrophobicContact CG1-CG1 3.49Å; I281-V358 VanDerWaalsContact CG1-CG1 3.49Å; I281-V359 PolarHBondContact N-O 2.88Å; I281-H361 PolarHBondContact O-N 3.43Å; I281-H361 VanDerWaalsContact O-N 3.15Å; I281-L366 HydrophobicContact CG2-CD2 4.18Å; I281-K377 WeakPolarHBondContact CA-O 3.16Å; I281-V378 HydrophobicContact CB-CG2 4.36Å; I281-V378 HydrophobicContact CD1-CG2 4.31Å; I281-V378 HydrophobicContact CG1-CG2 3.96Å; I281-V378 HydrophobicContact CG2-CG2 4.16Å; I281-I398 HydrophobicContact CD1-CD1 3.75Å
282F70.8Confident51.2Low24 Ų2466.8 Ų66.811%0.10542%0.416CS..EExtended strand (participates in β ladder)trans-130147.1179.2-56.8-81.8000111.8P265 L268 H280 H361 G376 K377 W379P265-F282 HydrophobicContact CG-CD2 4.1Å; P265-F282 HydrophobicContact CG-CE2 3.74Å; P265-F282 HydrophobicContact CG-CZ 4.02Å; L268-F282 HydrophobicContact CD1-CE2 4.21Å; L268-F282 HydrophobicContact CD1-CZ 3.76Å; L268-F282 HydrophobicContact CD2-CZ 4.21Å; L268-F282 HydrophobicContact CG-CZ 3.88Å; H280-F282 HydrophobicContact CB-CE2 3.72Å; H280-F282 HydrophobicContact CB-CZ 3.91Å; F282-H361 HydrophobicContact CD1-CB 4.04Å; F282-H361 AromaticContact CD1-CD2 3.97Å; F282-H361 HydrophobicContact CE1-CB 4.14Å; F282-H361 AromaticContact CE1-CD2 3.34Å; F282-H361 WeakPolarHBondContact CE1-CD2 3.37Å; F282-H361 AromaticContact CE1-CG 3.82Å; F282-H361 AromaticContact CE1-NE2 3.94Å; F282-H361 AromaticContact CZ-CD2 3.72Å; F282-G376 CarbonylContact O-C 3.52Å; F282-G376 WeakPolarHBondContact O-CA 3.47Å; F282-K377 HydrophobicContact CB-CB 4.33Å; F282-K377 PolarHBondContact N-O 3.38Å; F282-K377 PolarHBondContact O-N 3.36Å; F282-W379 HydrophobicContact CE2-CB 4.34Å
283P65Low51.2Low26 Ų2671.9 Ų71.917%0.16942%0.416CS..  trans-67.5153.8170.628.1-33.2000112S285 M365P283-S285 PolarHBondContact O-N 3.04Å; P283-M365 HydrophobicContact CB-CB 4.44Å
284W60.6Low50.9Low58 Ų5868.5 Ų68.522%0.2242%0.423CS..SBendtrans-66.3-35.7-176.3-165.3-98.4000113.8R259 H374 K377 Q623R259-W284 HydrophobicContact CB-CZ3 4.02Å; W284-H374 HydrophobicContact CE3-CB 4.2Å; W284-H374 HydrophobicContact CH2-CB 4.22Å; W284-H374 HydrophobicContact CZ3-CB 3.72Å; W284-K377 HydrophobicContact CE3-CG 4.08Å; W284-K377 HydrophobicContact CZ3-CG 4.28Å; W284-Q623 WeakPolarHBondContact CH2-O 3.36Å
285S54.8Low50.5Low75 Ų7565.7 Ų65.752%0.52442%0.42SS..SBendtrans-119.7113.5175.351.40000110.4P283 S287P283-S285 PolarHBondContact O-N 3.04Å; S285-S287 PolarHBondContact O-N 2.87Å
286P47.5Very low50.2Low68 Ų6871.8 Ų71.844%0.44244%0.439SS..  trans-75.4104.4164.728.2-28.2000107.4
287S37.9Very low50.4Low57 Ų5773.4 Ų73.440%0.39945%0.448SS..  trans-65.9138.216756.10000108.9S285 S289S285-S287 PolarHBondContact O-N 2.87Å; S287-S289 PolarHBondContact O-N 3.06Å
288L37.9Very low50.6Low161 Ų16174.4 Ų74.484%0.84345%0.449SS*.G310 helixtrans-70.84.7-177.5-148.788.8000113.2T290L288-T290 PolarHBondContact O-N 3.22Å
289S31.6Very low50.5Low98 Ų9875.3 Ų75.369%0.68545%0.454SS*.G310 helixtrans-91.99.3-168.862.70000115.8S287S287-S289 PolarHBondContact O-N 3.06Å
290T32.8Very low50.4Low76 Ų7675.3 Ų75.347%0.46645%0.454SS..G310 helixtrans-129.542.8173.256.20000113.4L288 T292L288-T290 PolarHBondContact O-N 3.22Å; T290-T292 PolarHBondContact O-N 3.13Å
291A34.5Very low50.2Low86 Ų8674.7 Ų74.771%0.71145%0.451SS*.THydrogen-bonded Turntrans-61.5120.8142.500000106.6
292T34.6Very low49.9Very low141 Ų14174.7 Ų74.787%0.86545%0.451SS*.THydrogen-bonded Turntrans91.935.5170.5-4.50000120.5T290T290-T292 PolarHBondContact O-N 3.13Å
293R32.8Very low49.9Very low226 Ų22673.5 Ų73.585%0.85345%0.446SS*.  trans-141.2121.5146.7-86.4-168.7176.4-175.5-1.5110.3G295R293-G295 VanDerWaalsContact C-N 3.34Å; R293-G295 PolarHBondContact O-N 3.49Å
294G34.8Very low50.3Low83 Ų8372.6 Ų72.686%0.85644%0.439SS*.  trans-60.592.117500000111.2Q296G294-Q296 PolarHBondContact O-N 2.86Å
295G40.3Very low51Low46 Ų4671 Ų7147%0.47443%0.434SS..PPolyproline II helixtrans-65.3117.416600000108.3R293 C297R293-G295 VanDerWaalsContact C-N 3.34Å; R293-G295 PolarHBondContact O-N 3.49Å; G295-C297 PolarHBondContact O-N 3.3Å
296Q47Very low52Low181 Ų18172.6 Ų72.685%0.84643%0.431SS*.PPolyproline II helixtrans-61122.1174.5-75.8178.4-32.500109G294 V298G294-Q296 PolarHBondContact O-N 2.86Å; Q296-V298 PolarHBondContact O-N 3.3Å
297C53.7Low53.4Low70 Ų7071.1 Ų71.147%0.47342%0.421SS..PPolyproline II helixtrans-62.8125.1169.6-57.30000108.5G295 V359 H361G295-C297 PolarHBondContact O-N 3.3Å; C297-V359 HydrophobicContact CB-CG1 4.03Å; C297-H361 VanDerWaalsContact SG-CE1 3.55Å; C297-H361 PolarHBondContact SG-ND1 3.49Å
298V60.2Low55Low46 Ų4670.9 Ų70.928%0.27942%0.419SS..EExtended strand (participates in β ladder)trans-98.6124.1-179.6-172.20000109V252 Q296 T300 C360V252-V298 HydrophobicContact CG2-CG1 3.86Å; Q296-V298 PolarHBondContact O-N 3.3Å; V298-T300 HydrophobicContact CG1-CG2 4.26Å; V298-C360 PolarHBondContact N-O 3.38Å; V298-C360 VanDerWaalsContact N-O 3.16Å; V298-C360 PolarHBondContact O-N 2.95Å
299V64.1Low56.9Low34 Ų3463.8 Ų63.821%0.20638%0.383CS..EExtended strand (participates in β ladder)trans-90.5128177.7-176.10000109.3R357 V359V299-R357 HydrophobicContact CG1-CG 4.07Å; V299-R357 VanDerWaalsContact CG1-NE 3.3Å; V299-V359 HydrophobicContact CG2-CG2 4.37Å
300T67.5Low58.9Low1 Ų161.1 Ų61.11%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-139.4175.2179.3550000111.1P250 V252 V298 V358P250-T300 HydrophobicContact CG-CG2 4.11Å; P250-T300 WeakPolarHBondContact O-CG2 3.34Å; V252-T300 HydrophobicContact CB-CG2 3.98Å; V252-T300 HydrophobicContact CG2-CG2 3.52Å; V298-T300 HydrophobicContact CG1-CG2 4.26Å; T300-V358 PolarHBondContact N-O 3.19Å; T300-V358 PolarHBondContact O-N 3.2Å; T300-V358 VanDerWaalsContact O-O 3.06Å; T300-V358 PolarHBondContact OG1-O 3.45Å
301Y69.3Low60.8Low11 Ų1159.1 Ų59.14%0.04335%0.348CS..EExtended strand (participates in β ladder)trans-124.6139.8177.2-75.1-94.6000110.1R357 L444 L447 L482Y301-R357 HydrophobicContact CD1-CB 4.46Å; Y301-R357 HydrophobicContact CE1-CB 4.05Å; Y301-R357 HydrophobicContact CE1-CG 4.37Å; Y301-L444 WeakPolarHBondContact CE2-O 3.36Å; Y301-L444 PolarHBondContact OH-O 3.42Å; Y301-L447 HydrophobicContact CD2-CD1 4.35Å; Y301-L447 HydrophobicContact CE1-CB 4.38Å; Y301-L447 HydrophobicContact CE2-CB 3.96Å; Y301-L447 HydrophobicContact CE2-CD1 4.01Å; Y301-L447 PolarHBondContact OH-O 3.25Å; Y301-L482 HydrophobicContact CD1-CD1 4.31Å; Y301-L482 HydrophobicContact CD1-CD2 3.97Å; Y301-L482 HydrophobicContact CE1-CD2 4.32Å; Y301-L482 HydrophobicContact CG-CD1 4.02Å
302G70.3Confident62.7Low0 Ų060.7 Ų60.70%034%0.339CS..EExtended strand (participates in β ladder)trans-145.1155.3-179.700000112.6V356 K399G302-V356 PolarHBondContact N-O 3.19Å; G302-V356 WeakPolarHBondContact O-CG2 3.34Å; G302-V356 PolarHBondContact O-N 3.04Å; G302-K399 CarbonylContact C-O 3.57Å; G302-K399 WeakPolarHBondContact CA-O 3.43Å
303S71Confident64.5Low0 Ų055.8 Ų55.80%031%0.313CS..EExtended strand (participates in β ladder)trans-92.9124.8172.2-55.90000109.5I398 K399 D480S303-I398 WeakPolarHBondContact O-CA 2.75Å; S303-K399 PolarHBondContact N-O 2.9Å; S303-K399 PolarHBondContact O-N 3.16Å; S303-D480 WeakPolarHBondContact CB-OD1 3.44Å; S303-D480 VanDerWaalsContact OG-CG 3.23Å; S303-D480 PolarHBondContact OG-OD1 3.42Å
304L73.9Confident66.4Low6 Ų648.6 Ų48.63%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-95128.3-174.5-163.375.9000110.9I279 T354 V356 I380 L388 I390 V396 I398I279-L304 HydrophobicContact CD1-CD1 3.81Å; I279-L304 HydrophobicContact CD1-CD2 3.87Å; I279-L304 HydrophobicContact CD1-CG 4.45Å; L304-T354 WeakPolarHBondContact CB-O 3.37Å; L304-T354 PolarHBondContact N-O 3.5Å; L304-T354 PolarHBondContact O-N 3.46Å; L304-V356 HydrophobicContact CB-CG2 4.01Å; L304-V356 HydrophobicContact CD1-CG2 4.39Å; L304-I380 HydrophobicContact CD2-CD1 4.45Å; L304-L388 HydrophobicContact CD2-CD1 3.7Å; L304-I390 HydrophobicContact CD2-CD1 4.02Å; L304-V396 HydrophobicContact CD1-CG1 3.21Å; L304-V396 HydrophobicContact CD2-CG1 4.34Å; L304-V396 HydrophobicContact CG-CG1 3.54Å; L304-I398 HydrophobicContact CD1-CD1 4.17Å; L304-I398 HydrophobicContact CD1-CG1 3.82Å
305F74.2Confident68.3Low26 Ų2648.3 Ų48.311%0.11427%0.267CS..EExtended strand (participates in β ladder)trans-126131176.8-59.7-94.3000110.9A353 V396 R397 K399F305-A353 HydrophobicContact CD1-CB 4.32Å; F305-A353 HydrophobicContact CE1-CB 3.6Å; F305-A353 HydrophobicContact CZ-CB 3.81Å; F305-V396 CarbonylContact O-C 3.59Å; F305-V396 WeakPolarHBondContact O-CA 3.13Å; F305-V396 VanDerWaalsContact O-CG1 3.3Å; F305-V396 WeakPolarHBondContact O-CG1 3.18Å; F305-R397 HydrophobicContact CB-CB 4.26Å; F305-R397 PolarHBondContact N-O 2.97Å; F305-R397 PolarHBondContact O-N 3.35Å; F305-K399 HydrophobicContact CD2-CD 4.36Å; F305-K399 HydrophobicContact CD2-CG 4.32Å; F305-K399 HydrophobicContact CE2-CB 4.12Å; F305-K399 HydrophobicContact CE2-CD 3.64Å; F305-K399 HydrophobicContact CE2-CG 3.88Å; F305-K399 HydrophobicContact CZ-CD 4.15Å
306K76.2Confident69.7Low108 Ų10853.1 Ų53.147%0.4728%0.275SS..EExtended strand (participates in β ladder)trans-77.1126.1173.1-178.5176.8175.1178.40110.2N389K306-N389 PolarHBondContact NZ-O 3.4Å
307V77.4Confident70.9Confident37 Ų3747.6 Ų47.622%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-102.2123.4176.8-173.70000109.2S395 R397 W621V307-S395 WeakPolarHBondContact CB-O 2.97Å; V307-S395 PolarHBondContact N-O 3.38Å; V307-S395 VanDerWaalsContact N-O 3.08Å; V307-R397 HydrophobicContact CG2-CB 3.74Å; V307-W621 HydrophobicContact CG1-CH2 4.37Å; V307-W621 HydrophobicContact CG1-CZ2 3.79Å
308S71.8Confident71.9Confident52 Ų5249.9 Ų49.936%0.36426%0.255SS..PPolyproline II helixtrans-75.9143.7176.354.90000111.7
309S76.1Confident72.2Confident12 Ų1253.7 Ų53.78%0.08427%0.27CS..PPolyproline II helixtrans-66.7155.8175.867.60000111.7K311 K312 A313 E618S309-K311 VanDerWaalsContact C-N 3.29Å; S309-K311 PolarHBondContact O-N 3.48Å; S309-K312 PolarHBondContact O-N 2.7Å; S309-K312 VanDerWaalsContact O-N 3.1Å; S309-K312 WeakPolarHBondContact OG-CG 3.25Å; S309-A313 PolarHBondContact O-N 2.83Å; S309-E618 PolarHBondContact OG-OE1 3.06Å
310P74.5Confident72.5Confident42 Ų4255.4 Ų55.427%0.27328%0.281SS..Hα-helixtrans-54.4-41.5-178.3-26.633.9000113.7A313 K314 W621P310-A313 PolarHBondContact O-N 3.27Å; P310-K314 WeakPolarHBondContact O-CG 3.4Å; P310-K314 PolarHBondContact O-N 2.92Å; P310-W621 HydrophobicContact CG-CD2 4.48Å; P310-W621 HydrophobicContact CG-CE3 4.37Å
311K72.8Confident72.5Confident33 Ų3361.3 Ų61.314%0.14331%0.311CS..Hα-helixtrans-60.8-50.9174.2-70.6-161.6-161.6156.70112.5S309 A313 K314 D315 D614 E618S309-K311 VanDerWaalsContact C-N 3.29Å; S309-K311 PolarHBondContact O-N 3.48Å; K311-A313 PolarHBondContact O-N 3.11Å; K311-K314 CarbonylContact O-C 3.59Å; K311-K314 WeakPolarHBondContact O-CA 3.39Å; K311-K314 WeakPolarHBondContact O-CB 3.43Å; K311-K314 PolarHBondContact O-N 3.08Å; K311-D315 PolarHBondContact O-N 2.96Å; K311-D614 HydrophobicContact CD-CB 4.17Å; K311-D614 WeakPolarHBondContact CE-O 3.45Å; K311-D614 HydrophobicContact CG-CB 4.23Å; K311-E618 HydrophobicContact CD-CB 4.24Å; K311-E618 WeakPolarHBondContact CD-OE2 2.99Å; K311-E618 WeakPolarHBondContact CE-OE2 3.44Å; K311-E618 HydrophobicContact CG-CB 4.37Å; K311-E618 IonicContact NZ-OE2 3.38Å; K311-E618 PolarHBondContact NZ-OE2 3.24Å
312K73.2Confident72.2Confident119 Ų11966.9 Ų66.952%0.51734%0.338SS..Hα-helixtrans-61.4-33.8179-69.9-179.3-176.5179.20111.6S309 K316S309-K312 PolarHBondContact O-N 2.7Å; S309-K312 VanDerWaalsContact O-N 3.1Å; S309-K312 WeakPolarHBondContact OG-CG 3.25Å; K312-K316 WeakPolarHBondContact O-CB 3.29Å; K312-K316 PolarHBondContact O-N 3.43Å
313A73.4Confident72Confident39 Ų3973.8 Ų73.832%0.32237%0.368SS..Hα-helixtrans-66.8-46.5172.300000111.9S309 P310 K311 D315 K316 T317S309-A313 PolarHBondContact O-N 2.83Å; P310-A313 PolarHBondContact O-N 3.27Å; K311-A313 PolarHBondContact O-N 3.11Å; A313-D315 VanDerWaalsContact C-N 3.34Å; A313-D315 PolarHBondContact O-N 3.37Å; A313-K316 PolarHBondContact O-N 2.86Å; A313-T317 WeakPolarHBondContact O-CG2 3.35Å; A313-T317 PolarHBondContact O-N 2.96Å; A313-T317 PolarHBondContact O-OG1 2.85Å; A313-T317 VanDerWaalsContact O-OG1 3.05Å
314K73.4Confident71.3Confident75 Ų7583.1 Ų83.133%0.32640%0.403SS..Hα-helixtrans-57.6-45.3174-71.2175-170.7170.70110.6P310 K311 T317 K318 D614 E617P310-K314 WeakPolarHBondContact O-CG 3.4Å; P310-K314 PolarHBondContact O-N 2.92Å; K311-K314 CarbonylContact O-C 3.59Å; K311-K314 WeakPolarHBondContact O-CA 3.39Å; K311-K314 WeakPolarHBondContact O-CB 3.43Å; K311-K314 PolarHBondContact O-N 3.08Å; K314-T317 WeakPolarHBondContact CA-OG1 3.31Å; K314-T317 PolarHBondContact O-N 3.48Å; K314-T317 PolarHBondContact O-OG1 2.93Å; K314-K318 WeakPolarHBondContact O-CG 3Å; K314-K318 PolarHBondContact O-N 3.41Å; K314-D614 IonicContact NZ-OD1 2.65Å; K314-D614 PolarHBondContact NZ-OD1 3.04Å; K314-E617 IonicContact NZ-OE1 2.9Å; K314-E617 IonicContact NZ-OE2 3.59Å; K314-E617 PolarHBondContact NZ-OE2 2.97Å
315D73.1Confident70.5Confident76 Ų7691.4 Ų91.441%0.40644%0.439SS..Hα-helixtrans-69.9-41.8-179.5-68.7-23.7000112.8K311 A313 T317 K318 Q319K311-D315 PolarHBondContact O-N 2.96Å; A313-D315 VanDerWaalsContact C-N 3.34Å; A313-D315 PolarHBondContact O-N 3.37Å; D315-T317 VanDerWaalsContact C-N 3.27Å; D315-T317 PolarHBondContact O-N 2.86Å; D315-K318 PolarHBondContact O-N 2.75Å; D315-K318 VanDerWaalsContact O-N 3.13Å; D315-Q319 WeakPolarHBondContact O-CB 3.39Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.24Å
316K71.8Confident69.4Low148 Ų14897.2 Ų97.264%0.64347%0.471SS*.Hα-helixtrans-62.8-36.2173.9-163.3174.7-176-178.30111K312 A313 T320K312-K316 WeakPolarHBondContact O-CB 3.29Å; K312-K316 PolarHBondContact O-N 3.43Å; A313-K316 PolarHBondContact O-N 2.86Å; K316-T320 WeakPolarHBondContact O-CB 3.48Å; K316-T320 VanDerWaalsContact O-CG2 3.31Å; K316-T320 WeakPolarHBondContact O-CG2 3.43Å; K316-T320 PolarHBondContact O-N 3.24Å; K316-T320 PolarHBondContact O-OG1 2.84Å
317T71.1Confident68Low65 Ų6599.6 Ų99.640%0.39948%0.484SS..Hα-helixtrans-68.6-38171.751.60000113.3A313 K314 D315 T320 L321A313-T317 WeakPolarHBondContact O-CG2 3.35Å; A313-T317 PolarHBondContact O-N 2.96Å; A313-T317 PolarHBondContact O-OG1 2.85Å; A313-T317 VanDerWaalsContact O-OG1 3.05Å; K314-T317 WeakPolarHBondContact CA-OG1 3.31Å; K314-T317 PolarHBondContact O-N 3.48Å; K314-T317 PolarHBondContact O-OG1 2.93Å; D315-T317 VanDerWaalsContact C-N 3.27Å; D315-T317 PolarHBondContact O-N 2.86Å; T317-T320 WeakPolarHBondContact CA-OG1 3.34Å; T317-T320 PolarHBondContact O-OG1 3.05Å; T317-T320 VanDerWaalsContact O-OG1 3.07Å; T317-L321 VanDerWaalsContact O-CB 3.29Å; T317-L321 WeakPolarHBondContact O-CB 3.31Å; T317-L321 PolarHBondContact O-N 2.93Å
318K74.6Confident66.3Low117 Ų117101.1 Ų101.151%0.50951%0.507SS..Hα-helixtrans-64.4-48173.9-74.5175.6-178.2171.40111.3K314 D315 T320 L321 E322K314-K318 WeakPolarHBondContact O-CG 3Å; K314-K318 PolarHBondContact O-N 3.41Å; D315-K318 PolarHBondContact O-N 2.75Å; D315-K318 VanDerWaalsContact O-N 3.13Å; K318-T320 PolarHBondContact O-N 2.92Å; K318-L321 WeakPolarHBondContact O-CB 3.49Å; K318-L321 PolarHBondContact O-N 3.27Å; K318-E322 WeakPolarHBondContact O-CG 3.39Å; K318-E322 PolarHBondContact O-N 2.94Å
319Q66.3Low64.7Low127 Ų127102.1 Ų102.159%0.59353%0.526SS*.Hα-helixtrans-64.3-38.1179-72.41803.600113D315 E322 K323D315-Q319 WeakPolarHBondContact O-CB 3.39Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.24Å; Q319-E322 PolarHBondContact O-N 3.2Å; Q319-K323 WeakPolarHBondContact O-CB 3.48Å; Q319-K323 PolarHBondContact O-N 3.26Å
320T69.8Low62.6Low70 Ų70107.7 Ų107.743%0.42957%0.565SS.*Hα-helixtrans-70.5-32.7174.947.30000112.3K316 T317 K318 R324K316-T320 WeakPolarHBondContact O-CB 3.48Å; K316-T320 VanDerWaalsContact O-CG2 3.31Å; K316-T320 WeakPolarHBondContact O-CG2 3.43Å; K316-T320 PolarHBondContact O-N 3.24Å; K316-T320 PolarHBondContact O-OG1 2.84Å; T317-T320 WeakPolarHBondContact CA-OG1 3.34Å; T317-T320 PolarHBondContact O-OG1 3.05Å; T317-T320 VanDerWaalsContact O-OG1 3.07Å; K318-T320 PolarHBondContact O-N 2.92Å; T320-R324 WeakPolarHBondContact O-CB 3.45Å; T320-R324 WeakPolarHBondContact O-CG 3.29Å; T320-R324 PolarHBondContact O-N 3.1Å
321L68.9Low60.8Low124 Ų124114.9 Ų114.965%0.64959%0.592SS**Hα-helixtrans-69.1-40.7172.5-162.775.9000111.6T317 K318 R324 K325T317-L321 VanDerWaalsContact O-CB 3.29Å; T317-L321 WeakPolarHBondContact O-CB 3.31Å; T317-L321 PolarHBondContact O-N 2.93Å; K318-L321 WeakPolarHBondContact O-CB 3.49Å; K318-L321 PolarHBondContact O-N 3.27Å; L321-R324 PolarHBondContact O-N 2.67Å; L321-K325 WeakPolarHBondContact O-CB 3.39Å; L321-K325 PolarHBondContact O-N 3.05Å
322E61.6Low58.9Low128 Ų128120.9 Ų120.960%0.59863%0.626SS**Hα-helixtrans-67.6-42.1175.5-74.9-176.3167.200112.3K318 Q319 R324 K325 N326K318-E322 WeakPolarHBondContact O-CG 3.39Å; K318-E322 PolarHBondContact O-N 2.94Å; Q319-E322 PolarHBondContact O-N 3.2Å; E322-R324 PolarHBondContact O-N 3.36Å; E322-K325 WeakPolarHBondContact O-CB 3.35Å; E322-K325 PolarHBondContact O-N 2.88Å; E322-K325 VanDerWaalsContact O-N 3.14Å; E322-N326 PolarHBondContact O-N 2.82Å
323K66.3Low56.8Low146 Ų146120.5 Ų120.564%0.63564%0.638SS**Hα-helixtrans-59.8-44.7172.1-95.3-175172.8179.60112.2Q319 K325 N326 E327Q319-K323 WeakPolarHBondContact O-CB 3.48Å; Q319-K323 PolarHBondContact O-N 3.26Å; K323-K325 PolarHBondContact O-N 2.82Å; K323-N326 PolarHBondContact O-N 3.13Å; K323-N326 VanDerWaalsContact O-N 3.12Å; K323-E327 PolarHBondContact O-N 3.39Å
324R57.9Low54.7Low195 Ų195122.2 Ų122.274%0.73666%0.66SS**Hα-helixtrans-63.4-29.7175.4-78.8-179177.8-175.81.1113.1T320 L321 E322 G328T320-R324 WeakPolarHBondContact O-CB 3.45Å; T320-R324 WeakPolarHBondContact O-CG 3.29Å; T320-R324 PolarHBondContact O-N 3.1Å; L321-R324 PolarHBondContact O-N 2.67Å; E322-R324 PolarHBondContact O-N 3.36Å; R324-G328 PolarHBondContact O-N 2.93Å
325K55.6Low52.7Low180 Ų180125.7 Ų125.778%0.78369%0.687SS**Hα-helixtrans-74.1-31.1175.6-155.7174.7-179.2-177.40112L321 E322 K323L321-K325 WeakPolarHBondContact O-CB 3.39Å; L321-K325 PolarHBondContact O-N 3.05Å; E322-K325 WeakPolarHBondContact O-CB 3.35Å; E322-K325 PolarHBondContact O-N 2.88Å; E322-K325 VanDerWaalsContact O-N 3.14Å; K323-K325 PolarHBondContact O-N 2.82Å
326N50.8Low50.8Low149 Ų149132.1 Ų132.180%0.79771%0.711SS**Hα-helixtrans-82.6-23.6175.9-73.8-10000113.8E322 K323E322-N326 PolarHBondContact O-N 2.82Å; K323-N326 PolarHBondContact O-N 3.13Å; K323-N326 VanDerWaalsContact O-N 3.12Å
327E48.5Very low48.7Very low157 Ų157128.6 Ų128.673%0.73472%0.717SS**SBendtrans-930.9177.9-71.4178.3172.400114K323 G329K323-E327 PolarHBondContact O-N 3.39Å; E327-G329 PolarHBondContact O-N 3.31Å
328G41.1Very low47.1Very low69 Ų69129.6 Ų129.671%0.71174%0.74SS**  trans-79.974.6-178.100000114.4R324R324-G328 PolarHBondContact O-N 2.93Å
329G37Very low44.8Very low74 Ų74132.5 Ų132.576%0.76375%0.753SS**  trans-145.847.4178.300000115.2E327E327-G329 PolarHBondContact O-N 3.31Å
330S32.3Very low43.1Very low129 Ų129131.2 Ų131.290%0.90275%0.754SS**  trans-164.3141.4155.6-165.50000111.2
331K37.8Very low41.3Very low192 Ų192130.8 Ų130.884%0.83576%0.763SS**  trans-99.7160.8-168.7-91.7-175.5175.3-179.80114.1
332D32.1Very low39.6Very low159 Ų159132.9 Ų132.985%0.8577%0.767SS**  trans74.5140.7159.8-82.6-14.1000117.9
333S28.8Very low38Very low111 Ų111132.1 Ų132.178%0.77676%0.763SS**  cis-155.3157.617.851.80000110.4
334G30.6Very low36.3Very low76 Ų76128.6 Ų128.678%0.78476%0.762SS**  trans-74.3174.1-161.900000119.8
335V30.4Very low35.3Very low147 Ų147125.9 Ų125.989%0.89176%0.755SS**  trans-169140.4140.91530000107.8
336K34.3Very low34.2Very low212 Ų212123.2 Ų123.292%0.92275%0.745SS**  trans-62.7143.5179.1-72.4174171.6177.80112.7
337G27.8Very low33.3Very low74 Ų74119 Ų11976%0.76373%0.731SS**  trans171.997.6161.100000112K339G337-K339 PolarHBondContact O-N 3.44Å
338G35.9Very low32.6Very low86 Ų86118.9 Ų118.989%0.88773%0.731SS**  trans-67.8120.6172.400000111
339K27.8Very low32.6Very low177 Ų177121.1 Ų121.177%0.7772%0.722SS**  trans-130.8131.5154.8-83.9-169.7173.5-168.70108G337G337-K339 PolarHBondContact O-N 3.44Å
340T30.6Very low32.6Very low101 Ų101123.1 Ų123.162%0.6271%0.712SS**  trans-58.6132.1-175.8410000110.7K342 E343T340-K342 PolarHBondContact O-N 3.47Å; T340-E343 PolarHBondContact O-N 2.9Å
341G31.4Very low33Very low60 Ų60124.9 Ų124.962%0.61971%0.706SS**THydrogen-bonded Turntrans-6513.2179.500000116
342K33.3Very low33.5Very low169 Ų169123.3 Ų123.374%0.73570%0.702SS**THydrogen-bonded Turntrans-85.8-38.3172.5-116.9179.9176-177.10111.5T340 K345T340-K342 PolarHBondContact O-N 3.47Å; K342-K345 PolarHBondContact O-N 2.95Å
343E28.4Very low34.6Very low112 Ų112116.9 Ų116.952%0.52367%0.67SS.*Hα-helixtrans-73.3-30.5-178.3-68.4-179.1171.800112.8T340 K345 A347T340-E343 PolarHBondContact O-N 2.9Å; E343-K345 VanDerWaalsContact C-N 3.33Å; E343-K345 PolarHBondContact O-N 3.44Å; E343-A347 PolarHBondContact O-N 2.86Å
344A29.1Very low36.3Very low72 Ų72114.1 Ų114.160%0.59565%0.649SS**Hα-helixtrans-75.5-19.317700000113.6
345K37.8Very low38Very low137 Ų137111.2 Ų111.260%0.59662%0.616SS**Hα-helixtrans-79.4-36.6175.2-82.6-173.9173.1-173.30112K342 E343K342-K345 PolarHBondContact O-N 2.95Å; E343-K345 VanDerWaalsContact C-N 3.33Å; E343-K345 PolarHBondContact O-N 3.44Å
346E33Very low39.8Very low125 Ų125104.6 Ų104.658%0.58458%0.576SS**Hα-helixtrans-69.6-37.5177.2-72.2179.4160.800111.8Q348 E349 E350E346-Q348 PolarHBondContact O-N 2.96Å; E346-E349 PolarHBondContact O-N 2.85Å; E346-E350 PolarHBondContact O-N 3.43Å
347A30.3Very low41.4Very low60 Ų6097.6 Ų97.650%0.49654%0.544SS..Hα-helixtrans-65.9-20.9-179.500000114.7E343E343-A347 PolarHBondContact O-N 2.86Å
348Q35.6Very low43.4Very low155 Ų15594.1 Ų94.172%0.72451%0.507SS*.Hα-helixtrans-94.8-18.2-179-136.9176.24.800113E346E346-Q348 PolarHBondContact O-N 2.96Å
349E39.5Very low45.1Very low115 Ų11590.7 Ų90.754%0.53747%0.47SS..Hα-helixtrans-84.4-17.4172.4-73.6-178.9172.200112.3E346 E351E346-E349 PolarHBondContact O-N 2.85Å; E349-E351 VanDerWaalsContact C-N 3.34Å
350E37.2Very low46.9Very low116 Ų11682.3 Ų82.354%0.54243%0.433SS..G310 helixtrans-76.6-13.2178-75-175.3165.800114.4E346 E352E346-E350 PolarHBondContact O-N 3.43Å; E350-E352 PolarHBondContact O-N 3.12Å
351E40.5Very low48.5Very low166 Ų16679 Ų7978%0.77641%0.41SS*.G310 helixtrans-75.4-12.6-175.9-78.7-172.6150.100115E349E349-E351 VanDerWaalsContact C-N 3.34Å
352E49.3Very low49.7Very low160 Ų16078.8 Ų78.875%0.74840%0.395SS*.G310 helixtrans-119.226.6-179.3-73.3-172.916300114.2E350 T354E350-E352 PolarHBondContact O-N 3.12Å; E352-T354 PolarHBondContact O-N 3.11Å
353A55.8Low50.5Low23 Ų2372.3 Ų72.319%0.1937%0.373CS..  trans-70.2121.9179.300000112.1F305F305-A353 HydrophobicContact CD1-CB 4.32Å; F305-A353 HydrophobicContact CE1-CB 3.6Å; F305-A353 HydrophobicContact CZ-CB 3.81Å
354T63.1Low51.3Low53 Ų5369.8 Ų69.833%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-114.1126.3175.4-55.90000111L304 E352 V356 L388L304-T354 WeakPolarHBondContact CB-O 3.37Å; L304-T354 PolarHBondContact N-O 3.5Å; L304-T354 PolarHBondContact O-N 3.46Å; E352-T354 PolarHBondContact O-N 3.11Å; T354-V356 HydrophobicContact CG2-CG1 4.24Å; T354-L388 WeakPolarHBondContact OG1-CD2 3.11Å
355V66Low52.1Low16 Ų1670 Ų7010%0.09737%0.367CS..EExtended strand (participates in β ladder)trans-82.1125.6177.4-179.20000110V401 P449 P479 L482V355-V401 HydrophobicContact CG1-CG2 4.3Å; V355-P449 HydrophobicContact CB-CB 4.11Å; V355-P449 HydrophobicContact CG1-CB 4.49Å; V355-P479 WeakPolarHBondContact CG2-O 3.12Å; V355-L482 HydrophobicContact CG1-CD2 3.75Å; V355-L482 HydrophobicContact CG1-CG 4.4Å
356V68.3Low52.7Low8 Ų864.1 Ų64.15%0.04834%0.342CS..EExtended strand (participates in β ladder)trans-129.8151.5-172.9-68.30000111.5I279 G302 L304 T354 V358I279-V356 HydrophobicContact CD1-CB 3.9Å; I279-V356 HydrophobicContact CD1-CG1 4.1Å; I279-V356 HydrophobicContact CD1-CG2 3.55Å; I279-V356 HydrophobicContact CG1-CB 4.31Å; I279-V356 HydrophobicContact CG1-CG2 4.32Å; G302-V356 PolarHBondContact N-O 3.19Å; G302-V356 WeakPolarHBondContact O-CG2 3.34Å; G302-V356 PolarHBondContact O-N 3.04Å; L304-V356 HydrophobicContact CB-CG2 4.01Å; L304-V356 HydrophobicContact CD1-CG2 4.39Å; T354-V356 HydrophobicContact CG2-CG1 4.24Å; V356-V358 HydrophobicContact CG2-CG2 4.24Å
357R68.3Low53.2Low65 Ų6566.3 Ų66.325%0.24535%0.352CS..EExtended strand (participates in β ladder)trans-81128.6173.2-177.1173.2174.6-1793.1109V278 I279 V299 Y301 E442V278-R357 WeakPolarHBondContact CA-O 3.48Å; V278-R357 HydrophobicContact CG1-CG 4.45Å; V278-R357 HydrophobicContact CG2-CB 4.3Å; V278-R357 HydrophobicContact CG2-CG 4.3Å; I279-R357 PolarHBondContact N-O 3.15Å; V299-R357 HydrophobicContact CG1-CG 4.07Å; V299-R357 VanDerWaalsContact CG1-NE 3.3Å; Y301-R357 HydrophobicContact CD1-CB 4.46Å; Y301-R357 HydrophobicContact CE1-CB 4.05Å; Y301-R357 HydrophobicContact CE1-CG 4.37Å; R357-E442 IonicContact NH2-OE2 3.16Å
358V70.9Confident53.8Low0 Ų071.7 Ų71.70%036%0.359CS..EExtended strand (participates in β ladder)trans-118127-173.1-177.50000109.9I279 I281 T300 V356I279-V358 CarbonylContact O-C 3.51Å; I279-V358 WeakPolarHBondContact O-CA 3.18Å; I281-V358 HydrophobicContact CD1-CG1 3.34Å; I281-V358 HydrophobicContact CG1-CG1 3.49Å; I281-V358 VanDerWaalsContact CG1-CG1 3.49Å; T300-V358 PolarHBondContact N-O 3.19Å; T300-V358 PolarHBondContact O-N 3.2Å; T300-V358 VanDerWaalsContact O-O 3.06Å; T300-V358 PolarHBondContact OG1-O 3.45Å; V356-V358 HydrophobicContact CG2-CG2 4.24Å
359V70.8Confident54Low15 Ų1566.7 Ų66.79%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-109112.4173.1178.50000108.4V278 I279 H280 I281 C297 V299V278-V359 HydrophobicContact CG1-CB 4.4Å; V278-V359 HydrophobicContact CG1-CG2 3.49Å; V278-V359 VanDerWaalsContact CG1-CG2 3.49Å; I279-V359 PolarHBondContact O-N 3.27Å; H280-V359 WeakPolarHBondContact CA-O 3.44Å; I281-V359 PolarHBondContact N-O 2.88Å; C297-V359 HydrophobicContact CB-CG1 4.03Å; V299-V359 HydrophobicContact CG2-CG2 4.37Å
360C65.2Low54.2Low1 Ų169.9 Ų69.91%0.00736%0.364CS..EExtended strand (participates in β ladder)trans-93122.7178.3-66.10000110.3V298V298-C360 PolarHBondContact N-O 3.38Å; V298-C360 VanDerWaalsContact N-O 3.16Å; V298-C360 PolarHBondContact O-N 2.95Å
361H65.4Low54.7Low30 Ų3066.1 Ų66.114%0.13935%0.351CS..SBendtrans-94.8128.5172-64.8-82.4000109.3H280 I281 F282 C297H280-H361 AromaticContact ND1-NE2 3.29Å; H280-H361 PolarHBondContact ND1-NE2 2.73Å; I281-H361 PolarHBondContact O-N 3.43Å; I281-H361 VanDerWaalsContact O-N 3.15Å; F282-H361 HydrophobicContact CD1-CB 4.04Å; F282-H361 AromaticContact CD1-CD2 3.97Å; F282-H361 HydrophobicContact CE1-CB 4.14Å; F282-H361 AromaticContact CE1-CD2 3.34Å; F282-H361 WeakPolarHBondContact CE1-CD2 3.37Å; F282-H361 AromaticContact CE1-CG 3.82Å; F282-H361 AromaticContact CE1-NE2 3.94Å; F282-H361 AromaticContact CZ-CD2 3.72Å; C297-H361 VanDerWaalsContact SG-CE1 3.55Å; C297-H361 PolarHBondContact SG-ND1 3.49Å
362D55.5Low55.4Low57 Ų5768.3 Ų68.331%0.30536%0.357SS..  trans57.861.6179.6-65.6-37.4000116R267 G364 M365R267-D362 IonicContact NH1-OD2 2.75Å; D362-G364 PolarHBondContact O-N 3.44Å; D362-M365 PolarHBondContact O-N 3.18Å
363A51.1Low55.9Low33 Ų3363.1 Ų63.127%0.27334%0.335SS..Hα-helixtrans-53.2-29.4-177.100000115.7V252 M365 L366V252-A363 HydrophobicContact CG1-CB 3.72Å; A363-M365 VanDerWaalsContact C-N 3.28Å; A363-M365 PolarHBondContact O-N 3.13Å; A363-L366 PolarHBondContact O-N 3.19Å
364G45.4Very low56.2Low58 Ų5862.2 Ų62.260%0.59833%0.326SS*.Hα-helixtrans-72.1-11.9-177.500000115.8D362D362-G364 PolarHBondContact O-N 3.44Å
365M45.5Very low55.9Low77 Ų7761.7 Ų61.738%0.37933%0.325SS..Hα-helixtrans-102.8-16.1178.6-69.8-97.679.400113.1P283 D362 A363 E367 R368P283-M365 HydrophobicContact CB-CB 4.44Å; D362-M365 PolarHBondContact O-N 3.18Å; A363-M365 VanDerWaalsContact C-N 3.28Å; A363-M365 PolarHBondContact O-N 3.13Å; M365-E367 PolarHBondContact O-N 3.48Å; M365-R368 PolarHBondContact O-N 2.95Å; M365-R368 VanDerWaalsContact O-N 3.14Å
366L50.9Low56.1Low14 Ų1461 Ų617%0.07332%0.32CS..Hα-helixtrans-63.9-25.7176.7-100108.2000113F253 Y258 I281 A363 R368F253-L366 HydrophobicContact CB-CD2 4.48Å; Y258-L366 HydrophobicContact CE1-CD2 3.97Å; Y258-L366 WeakPolarHBondContact OH-CD2 3.42Å; I281-L366 HydrophobicContact CG2-CD2 4.18Å; A363-L366 PolarHBondContact O-N 3.19Å; L366-R368 VanDerWaalsContact C-N 3.28Å; L366-R368 PolarHBondContact O-N 3.08Å
367E42.4Very low56.3Low170 Ų17063.1 Ų63.179%0.79433%0.329SS*.THydrogen-bonded Turntrans-74.3-14.7176.4-65.4-174.6162.400113.6M365M365-E367 PolarHBondContact O-N 3.48Å
368R42.1Very low56.8Low173 Ų17360 Ų6065%0.65332%0.317SS*.  trans-112.555.7-179.9-85.9-173-94.7-166.9-7.9111.7M365 L366 H370M365-R368 PolarHBondContact O-N 2.95Å; M365-R368 VanDerWaalsContact O-N 3.14Å; L366-R368 VanDerWaalsContact C-N 3.28Å; L366-R368 PolarHBondContact O-N 3.08Å; R368-H370 PolarHBondContact O-N 3.45Å
369G40.6Very low57.1Low50 Ų5061.1 Ų61.152%0.51532%0.321SS..  trans-71.5114.3176.200000112.5
370H43.9Very low57.3Low182 Ų18260.9 Ų60.984%0.84332%0.319SS*.  trans-91.212.8-179.7-82.4-78.1000114.8R368R368-H370 PolarHBondContact O-N 3.45Å
371S48.3Very low57.7Low38 Ų3861.1 Ų61.127%0.26632%0.321SS..  trans-118.6134.1176111.70000110.4I373 H374S371-I373 PolarHBondContact O-N 3.09Å; S371-H374 PolarHBondContact OG-N 3.27Å; S371-H374 VanDerWaalsContact OG-N 3.09Å; S371-H374 PolarHBondContact OG-O 3.25Å
372K53.7Low57.7Low211 Ų21167.5 Ų67.592%0.91735%0.351SS*.SBendtrans-67.5-20.6-176.9-77.2178.7180170.50113.5
373I60.3Low58Low52 Ų5267.8 Ų67.827%0.26736%0.356SS..SBendtrans-109.4-46.3-169.3-54.6175.6000112.1S371 E620 W621S371-I373 PolarHBondContact O-N 3.09Å; I373-E620 HydrophobicContact CD1-CG 4.02Å; I373-W621 HydrophobicContact CG2-CE3 3.92Å; I373-W621 HydrophobicContact CG2-CZ3 3.93Å
374H63.2Low58.8Low3 Ų367.3 Ų67.31%0.01435%0.348CS..  trans-119.6133.2-176.1-62.1-58.3000112.3W284 S371 S395 W621W284-H374 HydrophobicContact CE3-CB 4.2Å; W284-H374 HydrophobicContact CH2-CB 4.22Å; W284-H374 HydrophobicContact CZ3-CB 3.72Å; S371-H374 PolarHBondContact OG-N 3.27Å; S371-H374 VanDerWaalsContact OG-N 3.09Å; S371-H374 PolarHBondContact OG-O 3.25Å; H374-S395 PolarHBondContact CE1-OG 2.84Å; H374-S395 VanDerWaalsContact CE1-OG 3.24Å; H374-W621 PolarHBondContact NE2-O 3.29Å
375C56.9Low59.8Low43 Ų4365.4 Ų65.429%0.29133%0.327SS..SBendtrans-82.6-20.1178.2-61.70000112.8S256 V257 Y258S256-C375 VanDerWaalsContact CB-SG 3.55Å; S256-C375 PolarHBondContact OG-SG 3.32Å; V257-C375 PolarHBondContact O-N 3.46Å; Y258-C375 HydrophobicContact CE1-CB 4.16Å
376G69.6Low60.8Low0 Ų065.3 Ų65.30%033%0.334CS..EExtended strand (participates in β ladder)trans177.9-174.918000000114R259 F282R259-G376 PolarHBondContact N-O 3.47Å; R259-G376 VanDerWaalsContact N-O 3.08Å; F282-G376 CarbonylContact O-C 3.52Å; F282-G376 WeakPolarHBondContact O-CA 3.47Å
377K73.1Confident61.4Low53 Ų5369.4 Ų69.423%0.2335%0.351CS..EExtended strand (participates in β ladder)trans-100.1144.1176.1-68.9-176.5175.4-157.30110.3R259 I281 F282 W284 D589R259-K377 CarbonylContact O-C 3.58Å; I281-K377 WeakPolarHBondContact CA-O 3.16Å; F282-K377 HydrophobicContact CB-CB 4.33Å; F282-K377 PolarHBondContact N-O 3.38Å; F282-K377 PolarHBondContact O-N 3.36Å; W284-K377 HydrophobicContact CE3-CG 4.08Å; W284-K377 HydrophobicContact CZ3-CG 4.28Å; K377-D589 IonicContact NZ-OD2 3.48Å
378V77.4Confident62.5Low0 Ų063.5 Ų63.50%033%0.325CS..EExtended strand (participates in β ladder)trans-130.7131.4179.8167.80000109.3Y258 R259 V260 C261 I279 H280 I281 I380 I398Y258-V378 HydrophobicContact CD1-CG2 3.81Å; Y258-V378 HydrophobicContact CD2-CG2 4.32Å; Y258-V378 HydrophobicContact CG-CG2 3.56Å; R259-V378 PolarHBondContact O-N 3.23Å; V260-V378 CarbonylContact C-O 3.45Å; V260-V378 VanDerWaalsContact CA-O 3.26Å; V260-V378 WeakPolarHBondContact CA-O 3.49Å; C261-V378 PolarHBondContact N-O 3.06Å; I279-V378 HydrophobicContact CG2-CG1 3.28Å; H280-V378 CarbonylContact O-C 3.52Å; H280-V378 WeakPolarHBondContact O-CA 3.49Å; I281-V378 HydrophobicContact CB-CG2 4.36Å; I281-V378 HydrophobicContact CD1-CG2 4.31Å; I281-V378 HydrophobicContact CG1-CG2 3.96Å; I281-V378 HydrophobicContact CG2-CG2 4.16Å; V378-I380 HydrophobicContact CG1-CD1 4.44Å; V378-I380 HydrophobicContact CG1-CG1 3.91Å; V378-I398 HydrophobicContact CG2-CD1 3.96Å
379W77.6Confident63.5Low24 Ų2460.7 Ų60.79%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-107.9126.4173.4-178.478.8000110.1P264 L268 I274 H280 F282 P381P264-W379 HydrophobicContact CB-CZ2 4.17Å; L268-W379 HydrophobicContact CD1-CD2 4.42Å; L268-W379 HydrophobicContact CD1-CE3 4.12Å; I274-W379 HydrophobicContact CD1-CH2 4.27Å; I274-W379 HydrophobicContact CG2-CH2 3.61Å; I274-W379 HydrophobicContact CG2-CZ3 4.05Å; H280-W379 AromaticContact CD2-CE3 3.78Å; H280-W379 AromaticContact CD2-CZ3 3.99Å; H280-W379 PolarHBondContact N-O 2.83Å; H280-W379 PolarHBondContact O-N 3.09Å; F282-W379 HydrophobicContact CE2-CB 4.34Å; W379-P381 HydrophobicContact CE3-CG 4.48Å; W379-P381 HydrophobicContact CH2-CB 4.3Å; W379-P381 HydrophobicContact CH2-CG 4.02Å; W379-P381 HydrophobicContact CZ3-CG 3.8Å
380I75.7Confident65Low10 Ų1059 Ų595%0.05130%0.301CS..  trans-116.1126.2-178.5-54179.9000108.1V260 I279 L304 V378 L384 A385 I390 V396V260-I380 HydrophobicContact CG1-CD1 4.33Å; V260-I380 HydrophobicContact CG1-CG1 4.4Å; V260-I380 HydrophobicContact CG2-CD1 3.84Å; I279-I380 HydrophobicContact CD1-CG1 4.25Å; I279-I380 HydrophobicContact CG2-CG1 4.37Å; L304-I380 HydrophobicContact CD2-CD1 4.45Å; V378-I380 HydrophobicContact CG1-CD1 4.44Å; V378-I380 HydrophobicContact CG1-CG1 3.91Å; I380-L384 HydrophobicContact CG2-CB 3.87Å; I380-A385 HydrophobicContact CG2-CB 4.21Å; I380-I390 HydrophobicContact CD1-CD1 4.03Å; I380-I390 HydrophobicContact CD1-CG2 4.25Å; I380-V396 HydrophobicContact CD1-CG2 4.43Å
381P72.8Confident66Low5 Ų555.1 Ų55.13%0.03229%0.287CS..  trans-58.5140.6174.4-24.432.7000112.9V278 W379 P383 L384 A385V278-P381 WeakPolarHBondContact O-CD 3.47Å; V278-P381 WeakPolarHBondContact O-CG 3.42Å; W379-P381 HydrophobicContact CE3-CG 4.48Å; W379-P381 HydrophobicContact CH2-CB 4.3Å; W379-P381 HydrophobicContact CH2-CG 4.02Å; W379-P381 HydrophobicContact CZ3-CG 3.8Å; P381-P383 VanDerWaalsContact C-CD 3.44Å; P381-P383 HydrophobicContact CB-CG 4.32Å; P381-L384 HydrophobicContact CG-CD1 4.35Å; P381-L384 WeakPolarHBondContact O-CA 3.3Å; P381-L384 WeakPolarHBondContact O-CB 3.15Å; P381-L384 PolarHBondContact O-N 3.33Å; P381-A385 PolarHBondContact O-N 3.14Å
382E64.8Low66.9Low165 Ų16556.8 Ų56.877%0.77130%0.297SS*.Hα-helixtrans-47.9-41.9178.7-158.2175.2-158.800115.5L384 A385 S386E382-L384 VanDerWaalsContact C-N 3.3Å; E382-L384 PolarHBondContact O-N 3.44Å; E382-A385 PolarHBondContact O-N 2.72Å; E382-S386 WeakPolarHBondContact O-CB 3.42Å; E382-S386 PolarHBondContact O-N 2.89Å; E382-S386 PolarHBondContact O-OG 3.44Å
383P62.9Low67.7Low63 Ų6347.8 Ų47.841%0.40926%0.258SS..Hα-helixtrans-69.8-21.5176.325.7-35000114.4A276 P381 S386 K387A276-P383 HydrophobicContact CB-CG 4.24Å; P381-P383 VanDerWaalsContact C-CD 3.44Å; P381-P383 HydrophobicContact CB-CG 4.32Å; P383-S386 WeakPolarHBondContact CA-OG 3.45Å; P383-S386 PolarHBondContact O-OG 3.21Å; P383-K387 WeakPolarHBondContact O-CD 3.38Å; P383-K387 VanDerWaalsContact O-CG 3.25Å; P383-K387 WeakPolarHBondContact O-CG 3.37Å
384L66.7Low68.3Low22 Ų2246.5 Ų46.512%0.11525%0.253CS..Hα-helixtrans-86-38.8171.7-77.1173.4000111.3A276 I380 P381 E382 K387 L388A276-L384 WeakPolarHBondContact O-CG 3.48Å; I380-L384 HydrophobicContact CG2-CB 3.87Å; P381-L384 HydrophobicContact CG-CD1 4.35Å; P381-L384 WeakPolarHBondContact O-CA 3.3Å; P381-L384 WeakPolarHBondContact O-CB 3.15Å; P381-L384 PolarHBondContact O-N 3.33Å; E382-L384 VanDerWaalsContact C-N 3.3Å; E382-L384 PolarHBondContact O-N 3.44Å; L384-K387 PolarHBondContact O-N 3Å; L384-L388 WeakPolarHBondContact O-CB 3.38Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 2.87Å; L384-L388 VanDerWaalsContact O-N 3.12Å
385A67.7Low68.9Low18 Ų1846.4 Ų46.415%0.14925%0.253CS..Hα-helixtrans-63.3-43178.300000111.8I380 P381 E382 L388 N389 I390I380-A385 HydrophobicContact CG2-CB 4.21Å; P381-A385 PolarHBondContact O-N 3.14Å; E382-A385 PolarHBondContact O-N 2.72Å; A385-L388 CarbonylContact O-C 3.55Å; A385-L388 PolarHBondContact O-N 3.43Å; A385-N389 PolarHBondContact O-N 3.5Å; A385-I390 PolarHBondContact O-N 2.91Å
386S65.4Low69.9Low76 Ų7644.4 Ų44.453%0.53124%0.239SC..Hα-helixtrans-65-40.9174.850.40000112.9E382 P383 L388 N389E382-S386 WeakPolarHBondContact O-CB 3.42Å; E382-S386 PolarHBondContact O-N 2.89Å; E382-S386 PolarHBondContact O-OG 3.44Å; P383-S386 WeakPolarHBondContact CA-OG 3.45Å; P383-S386 PolarHBondContact O-OG 3.21Å; S386-L388 VanDerWaalsContact C-N 3.28Å; S386-L388 PolarHBondContact O-N 3.45Å; S386-N389 PolarHBondContact O-N 3.29Å
387K65.1Low70.3Confident100 Ų10048.6 Ų48.644%0.43526%0.255SS..Hα-helixtrans-63-32.5175.1-78.4177.2-176.5176.80113.5P383 L384P383-K387 WeakPolarHBondContact O-CD 3.38Å; P383-K387 VanDerWaalsContact O-CG 3.25Å; P383-K387 WeakPolarHBondContact O-CG 3.37Å; L384-K387 PolarHBondContact O-N 3Å
388L63.9Low70.4Confident46 Ų4646.1 Ų46.124%0.24124%0.244CC..THydrogen-bonded Turntrans-102.34.5-176.1-64.5171.1000113.4L304 T354 L384 A385 S386 I390L304-L388 HydrophobicContact CD2-CD1 3.7Å; T354-L388 WeakPolarHBondContact OG1-CD2 3.11Å; L384-L388 WeakPolarHBondContact O-CB 3.38Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 2.87Å; L384-L388 VanDerWaalsContact O-N 3.12Å; A385-L388 CarbonylContact O-C 3.55Å; A385-L388 PolarHBondContact O-N 3.43Å; S386-L388 VanDerWaalsContact C-N 3.28Å; S386-L388 PolarHBondContact O-N 3.45Å; L388-I390 HydrophobicContact CB-CD1 3.75Å; L388-I390 HydrophobicContact CB-CG1 3.79Å; L388-I390 HydrophobicContact CD1-CD1 4.07Å; L388-I390 PolarHBondContact O-N 3.3Å
389N64.4Low70.1Confident114 Ų11448.7 Ų48.761%0.6126%0.256SS*.THydrogen-bonded Turntrans50.241.1-174.6-66.6-39.6000113.3K306 A385 S386K306-N389 PolarHBondContact NZ-O 3.4Å; A385-N389 PolarHBondContact O-N 3.5Å; S386-N389 PolarHBondContact O-N 3.29Å
390I70.6Confident69.7Low13 Ų1348.6 Ų48.67%0.06726%0.258CS..  trans-95.2115.8179.9-60.8176.7000108.6V260 L304 I380 A385 L388 S394 V396V260-I390 HydrophobicContact CG1-CG2 4.46Å; V260-I390 HydrophobicContact CG2-CG2 3.89Å; L304-I390 HydrophobicContact CD2-CD1 4.02Å; I380-I390 HydrophobicContact CD1-CD1 4.03Å; I380-I390 HydrophobicContact CD1-CG2 4.25Å; A385-I390 PolarHBondContact O-N 2.91Å; L388-I390 HydrophobicContact CB-CD1 3.75Å; L388-I390 HydrophobicContact CB-CG1 3.79Å; L388-I390 HydrophobicContact CD1-CD1 4.07Å; L388-I390 PolarHBondContact O-N 3.3Å; I390-S394 VanDerWaalsContact CG2-OG 3.22Å; I390-S394 WeakPolarHBondContact CG2-OG 3.28Å; I390-V396 HydrophobicContact CD1-CG2 4.27Å; I390-V396 HydrophobicContact CG2-CG2 4.07Å
391L66.2Low69.4Low102 Ų10248.6 Ų48.653%0.53426%0.259SS..  trans-78.9150.7176.2-69.2169.9000111S394L391-S394 VanDerWaalsContact O-CB 3.25Å; L391-S394 WeakPolarHBondContact O-CB 3.09Å; L391-S394 PolarHBondContact O-N 3.03Å; L391-S394 PolarHBondContact O-OG 3.01Å
392P67Low68.6Low73 Ų7357.5 Ų57.547%0.47430%0.297SS..THydrogen-bonded Turntrans-58.4147.5170.326.5-34.2000110.7S394P392-S394 PolarHBondContact O-N 3.1Å
393H70.2Confident68.5Low21 Ų2151.1 Ų51.110%0.09727%0.27CS..THydrogen-bonded Turntrans66.67.1-174.6-39.7-71.1000116V260 D589 H591V260-H393 WeakPolarHBondContact O-CA 3.21Å; V260-H393 PolarHBondContact O-N 3.45Å; H393-D589 IonicContact CE1-OD1 3.55Å; H393-D589 PolarHBondContact CE1-OD1 3.06Å; H393-D589 PolarHBondContact ND1-O 3.33Å; H393-D589 IonicContact ND1-OD1 2.68Å; H393-D589 PolarHBondContact ND1-OD1 2.66Å; H393-H591 HydrophobicContact CB-CB 4.22Å
394S73.4Confident68.3Low25 Ų2554 Ų5418%0.17529%0.286CS..  trans-78.2164.3171.567.90000112.7V260 I390 L391 P392V260-S394 WeakPolarHBondContact CB-O 3.43Å; V260-S394 WeakPolarHBondContact CG2-O 3.37Å; V260-S394 PolarHBondContact N-O 2.97Å; I390-S394 VanDerWaalsContact CG2-OG 3.22Å; I390-S394 WeakPolarHBondContact CG2-OG 3.28Å; L391-S394 VanDerWaalsContact O-CB 3.25Å; L391-S394 WeakPolarHBondContact O-CB 3.09Å; L391-S394 PolarHBondContact O-N 3.03Å; L391-S394 PolarHBondContact O-OG 3.01Å; P392-S394 PolarHBondContact O-N 3.1Å
395S75.8Confident67.9Low2 Ų253.9 Ų53.91%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-103.7134.6-177.9-50.50000110.7Y258 V307 H374 W621Y258-S395 WeakPolarHBondContact O-CA 3.31Å; V307-S395 WeakPolarHBondContact CB-O 2.97Å; V307-S395 PolarHBondContact N-O 3.38Å; V307-S395 VanDerWaalsContact N-O 3.08Å; H374-S395 PolarHBondContact CE1-OG 2.84Å; H374-S395 VanDerWaalsContact CE1-OG 3.24Å; S395-W621 PolarHBondContact OG-NE1 3.05Å
396V77.8Confident67.8Low0 Ų056.7 Ų56.70%030%0.295CS..EExtended strand (participates in β ladder)trans-132.1133.8-174.9-179.20000109.1Y258 V260 L304 F305 I380 I390Y258-V396 PolarHBondContact N-O 3.41Å; Y258-V396 PolarHBondContact O-N 2.87Å; V260-V396 HydrophobicContact CG2-CB 4.31Å; V260-V396 HydrophobicContact CG2-CG2 3.43Å; V260-V396 VanDerWaalsContact CG2-CG2 3.43Å; L304-V396 HydrophobicContact CD1-CG1 3.21Å; L304-V396 HydrophobicContact CD2-CG1 4.34Å; L304-V396 HydrophobicContact CG-CG1 3.54Å; F305-V396 CarbonylContact O-C 3.59Å; F305-V396 WeakPolarHBondContact O-CA 3.13Å; F305-V396 VanDerWaalsContact O-CG1 3.3Å; F305-V396 WeakPolarHBondContact O-CG1 3.18Å; I380-V396 HydrophobicContact CD1-CG2 4.43Å; I390-V396 HydrophobicContact CD1-CG2 4.27Å; I390-V396 HydrophobicContact CG2-CG2 4.07Å
397R77.1Confident67.9Low89 Ų8955.9 Ų55.934%0.33629%0.287SS..EExtended strand (participates in β ladder)trans-97.7132177.5-176.3176.8-177.5171.12.6109.4D255 S256 V257 F305 V307D255-R397 IonicContact OD1-CZ 3.47Å; D255-R397 IonicContact OD1-NE 3.48Å; D255-R397 PolarHBondContact OD1-NE 3.47Å; D255-R397 IonicContact OD1-NH2 2.68Å; D255-R397 PolarHBondContact OD1-NH2 2.8Å; D255-R397 IonicContact OD2-CZ 3.99Å; D255-R397 IonicContact OD2-NE 3.44Å; D255-R397 PolarHBondContact OD2-NE 2.79Å; D255-R397 IonicContact OD2-NH2 3.52Å; D255-R397 PolarHBondContact OD2-NH2 2.97Å; S256-R397 WeakPolarHBondContact O-CA 3.33Å; V257-R397 HydrophobicContact CG2-CB 4.27Å; V257-R397 HydrophobicContact CG2-CG 4.35Å; F305-R397 HydrophobicContact CB-CB 4.26Å; F305-R397 PolarHBondContact N-O 2.97Å; F305-R397 PolarHBondContact O-N 3.35Å; V307-R397 HydrophobicContact CG2-CB 3.74Å
398I75.6Confident68.1Low0 Ų051.1 Ų51.10%027%0.267CS..EExtended strand (participates in β ladder)trans-118.3119.1179.8-53178.3000108.5F253 S256 Y258 I281 S303 L304 V378F253-I398 HydrophobicContact CE2-CB 4.27Å; F253-I398 HydrophobicContact CE2-CG2 3.58Å; F253-I398 HydrophobicContact CZ-CG2 3.76Å; S256-I398 PolarHBondContact O-N 3.1Å; Y258-I398 HydrophobicContact CD2-CB 4.14Å; Y258-I398 HydrophobicContact CD2-CD1 3.79Å; Y258-I398 HydrophobicContact CD2-CG1 3.87Å; Y258-I398 HydrophobicContact CE2-CB 4.05Å; Y258-I398 HydrophobicContact CE2-CD1 4.18Å; Y258-I398 HydrophobicContact CE2-CG1 4.26Å; Y258-I398 HydrophobicContact CG-CD1 4.4Å; I281-I398 HydrophobicContact CD1-CD1 3.75Å; S303-I398 WeakPolarHBondContact O-CA 2.75Å; L304-I398 HydrophobicContact CD1-CD1 4.17Å; L304-I398 HydrophobicContact CD1-CG1 3.82Å; V378-I398 HydrophobicContact CG2-CD1 3.96Å
399K70.9Confident68Low55 Ų5551.3 Ų51.324%0.23927%0.272CS..EExtended strand (participates in β ladder)trans-101.7136.5175.5-68.9-176.3-177.51690110.7D255 G302 S303 F305D255-K399 WeakPolarHBondContact OD1-CG 3.38Å; G302-K399 CarbonylContact C-O 3.57Å; G302-K399 WeakPolarHBondContact CA-O 3.43Å; S303-K399 PolarHBondContact N-O 2.9Å; S303-K399 PolarHBondContact O-N 3.16Å; F305-K399 HydrophobicContact CD2-CD 4.36Å; F305-K399 HydrophobicContact CD2-CG 4.32Å; F305-K399 HydrophobicContact CE2-CB 4.12Å; F305-K399 HydrophobicContact CE2-CD 3.64Å; F305-K399 HydrophobicContact CE2-CG 3.88Å; F305-K399 HydrophobicContact CZ-CD 4.15Å
400P69.6Low68.2Low21 Ų2146.1 Ų46.114%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-70136.9174.328-33.3000110.8V251 F253 K402V251-P400 HydrophobicContact CG1-CB 4.29Å; V251-P400 HydrophobicContact CG1-CG 4.46Å; F253-P400 HydrophobicContact CE2-CB 4.06Å; F253-P400 HydrophobicContact CZ-CB 4.24Å; P400-K402 PolarHBondContact O-N 2.93Å
401V70.2Confident68.5Low11 Ų1145.6 Ų45.67%0.06724%0.243CC..PPolyproline II helixtrans-71.5122.9179.9176.80000110.3V355 D480 L482V355-V401 HydrophobicContact CG1-CG2 4.3Å; V401-D480 HydrophobicContact CG1-CB 4.35Å; V401-D480 WeakPolarHBondContact CG1-O 3.32Å; V401-L482 HydrophobicContact CB-CD1 4.43Å; V401-L482 HydrophobicContact CG1-CD1 3.97Å; V401-L482 HydrophobicContact CG1-CG 4.45Å
402K56.5Low69.1Low192 Ų19244.6 Ų44.684%0.83523%0.232SC*.  trans-104.1-2.6179.2-64-179.6-177.4175.60114P400P400-K402 PolarHBondContact O-N 2.93Å
403S62.5Low69.5Low31 Ų3141.1 Ų41.122%0.21721%0.209CC..SBendtrans-77144.6-172.9-50.50000112.9D480S403-D480 VanDerWaalsContact CB-O 3.29Å; S403-D480 WeakPolarHBondContact CB-O 3.48Å; S403-D480 WeakPolarHBondContact OG-CB 3.37Å; S403-D480 PolarHBondContact OG-O 3.29Å; S403-D480 VanDerWaalsContact OG-O 3.1Å
404V57.4Low69.7Low122 Ų12241.7 Ų41.774%0.73921%0.212SC*.PPolyproline II helixtrans-71.6130.4174.7-1730000110.2Q481V404-Q481 PolarHBondContact O-NE2 3.4Å
405T59.2Low69.5Low20 Ų2040.7 Ų40.712%0.12321%0.205CC..PPolyproline II helixtrans-71.4132.9179.136.80000111.6V246 I249 L447 L482V246-T405 WeakPolarHBondContact CG1-OG1 3.42Å; I249-T405 HydrophobicContact CD1-CG2 4.36Å; T405-L447 HydrophobicContact CG2-CD2 3.81Å; T405-L482 WeakPolarHBondContact CA-O 3.44Å; T405-L482 HydrophobicContact CG2-CB 3.84Å
406K65.9Low68.9Low77 Ų7743 Ų4334%0.33522%0.217SC..EExtended strand (participates in β ladder)trans-106.3153.1175.9-71.2177.9179.9159.90110.3P472 D477 Q481 L482 F483 L484K406-P472 HydrophobicContact CD-CG 4.19Å; K406-D477 IonicContact NZ-OD1 2.66Å; K406-D477 PolarHBondContact NZ-OD1 3.22Å; K406-Q481 VanDerWaalsContact CD-NE2 3.35Å; K406-L482 PolarHBondContact N-O 3.06Å; K406-L482 VanDerWaalsContact N-O 3.11Å; K406-F483 HydrophobicContact CB-CD1 4Å; K406-F483 HydrophobicContact CB-CE1 4.13Å; K406-F483 HydrophobicContact CD-CE1 4.42Å; K406-F483 CarbonylContact O-C 3.46Å; K406-F483 WeakPolarHBondContact O-CA 3.15Å; K406-L484 PolarHBondContact O-N 3.28Å
407V66.1Low68Low60 Ų6050.2 Ų50.236%0.36425%0.248SC..EExtended strand (participates in β ladder)trans-86.9129.5175.7-1750000110.1A486 V489V407-A486 HydrophobicContact CG1-CB 4.13Å; V407-V489 HydrophobicContact CG1-CB 4.46Å; V407-V489 HydrophobicContact CG1-CG1 4.48Å; V407-V489 HydrophobicContact CG1-CG2 4.23Å
408A70.1Confident67.1Low0 Ų051.2 Ų51.20%027%0.266CS..  trans-74.8131.1176.600000110.8I411 V469 F483 L484 L485A408-I411 HydrophobicContact CB-CD1 4.4Å; A408-I411 HydrophobicContact CB-CG1 4.41Å; A408-V469 HydrophobicContact CB-CG1 3.87Å; A408-V469 HydrophobicContact CB-CG2 4.36Å; A408-F483 HydrophobicContact CB-CB 4.25Å; A408-L484 PolarHBondContact N-O 3.3Å; A408-L485 HydrophobicContact CB-CD2 4.01Å
409S62.5Low66.4Low49 Ų4953.7 Ų53.734%0.34328%0.279SS..  trans-111.9-7.518052.80000114K471S409-K471 PolarHBondContact N-O 2.79Å; S409-K471 WeakPolarHBondContact OG-CB 3.39Å; S409-K471 PolarHBondContact OG-O 3.17Å
410G66.6Low65.9Low6 Ų655.2 Ų55.26%0.06229%0.294CS..EExtended strand (participates in β ladder)trans-163.7138174.500000111.6L470 K471 N494G410-L470 PolarHBondContact O-N 3.22Å; G410-K471 PolarHBondContact O-N 3.03Å; G410-N494 WeakPolarHBondContact CA-O 3.08Å
411I78.4Confident65.3Low1 Ų163.1 Ų63.11%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-136.1148.2-167.9-60.1172.7000109.8A408 L413 L467 T468 L485 L490 N494 I495 Q496A408-I411 HydrophobicContact CB-CD1 4.4Å; A408-I411 HydrophobicContact CB-CG1 4.41Å; I411-L413 HydrophobicContact CG2-CD2 4.47Å; I411-L467 HydrophobicContact CG2-CD1 3.96Å; I411-L467 HydrophobicContact CG2-CD2 3.92Å; I411-L467 HydrophobicContact CG2-CG 3.54Å; I411-T468 CarbonylContact C-O 3.53Å; I411-T468 WeakPolarHBondContact CA-O 3.33Å; I411-L485 HydrophobicContact CD1-CD2 3.25Å; I411-L485 HydrophobicContact CG1-CD2 4.39Å; I411-L490 HydrophobicContact CD1-CD1 3.5Å; I411-L490 HydrophobicContact CD1-CD2 3.52Å; I411-L490 HydrophobicContact CD1-CG 4.16Å; I411-L490 HydrophobicContact CG1-CD2 3.9Å; I411-N494 PolarHBondContact N-O 2.95Å; I411-I495 WeakPolarHBondContact O-CA 3.41Å; I411-Q496 PolarHBondContact O-N 3.02Å
412R77.4Confident64.6Low82 Ų8269.8 Ų69.831%0.30937%0.365SS..EExtended strand (participates in β ladder)trans-118133.2169.4174.5-172.2-57.5172.41.5111.2Q414 T468 L470 Q496 D498R412-Q414 HydrophobicContact CG-CG 4.42Å; R412-T468 WeakPolarHBondContact CB-OG1 3.37Å; R412-T468 PolarHBondContact N-O 2.81Å; R412-T468 PolarHBondContact O-N 2.97Å; R412-T468 PolarHBondContact O-OG1 3.29Å; R412-L470 HydrophobicContact CB-CD1 3.9Å; R412-L470 HydrophobicContact CB-CD2 4.37Å; R412-L470 HydrophobicContact CB-CG 4.08Å; R412-Q496 CarbonylContact C-O 3.48Å; R412-Q496 WeakPolarHBondContact CA-O 3.44Å; R412-Q496 HydrophobicContact CB-CB 4.23Å; R412-Q496 HydrophobicContact CG-CB 4.37Å; R412-D498 HydrophobicContact CG-CB 4.38Å
413L76.3Confident64.9Low0 Ų063.8 Ų63.80%034%0.342CS..EExtended strand (participates in β ladder)trans-107.9127.1175-61.7174.9000109.1I411 F432 L465 S466 L467 I495 Q496 D498I411-L413 HydrophobicContact CG2-CD2 4.47Å; L413-F432 HydrophobicContact CD1-CB 4.06Å; L413-F432 HydrophobicContact CD1-CD1 4.26Å; L413-F432 HydrophobicContact CD1-CD2 3.93Å; L413-F432 HydrophobicContact CD1-CG 3.8Å; L413-F432 HydrophobicContact CD2-CD2 4.12Å; L413-F432 HydrophobicContact CD2-CE2 4.01Å; L413-F432 HydrophobicContact CD2-CZ 4.49Å; L413-L465 HydrophobicContact CB-CD1 4.37Å; L413-L465 HydrophobicContact CD1-CD1 4.38Å; L413-S466 WeakPolarHBondContact CA-O 3.38Å; L413-L467 HydrophobicContact CD2-CB 4.04Å; L413-L467 HydrophobicContact CD2-CD1 4.11Å; L413-L467 HydrophobicContact CD2-CG 4.11Å; L413-I495 HydrophobicContact CD1-CG2 3.73Å; L413-I495 HydrophobicContact CG-CG2 4.14Å; L413-Q496 PolarHBondContact N-O 3.44Å; L413-D498 PolarHBondContact O-N 3.39Å
414Q74.3Confident65.2Low32 Ų3268 Ų6815%0.1536%0.362CS..EExtended strand (participates in β ladder)trans-127.9136.4177.6-86.6176.7-15.700109.8R412 L465 S466 D498R412-Q414 HydrophobicContact CG-CG 4.42Å; Q414-L465 CarbonylContact O-C 3.52Å; Q414-L465 WeakPolarHBondContact O-CA 3.43Å; Q414-S466 WeakPolarHBondContact CB-OG 3.5Å; Q414-S466 PolarHBondContact N-O 3.4Å; Q414-S466 PolarHBondContact O-N 3.25Å; Q414-S466 PolarHBondContact O-OG 2.9Å; Q414-S466 VanDerWaalsContact O-OG 3.12Å; Q414-D498 HydrophobicContact CG-CB 3.71Å; Q414-D498 PolarHBondContact NE2-OD2 3Å
415P70Confident65.8Low5 Ų564.9 Ų64.93%0.03234%0.341CS..EExtended strand (participates in β ladder)trans-83.5139.4-179.234.1-35.2000113.2K417 L419 L465 D498P415-K417 WeakPolarHBondContact CB-O 3.38Å; P415-L419 HydrophobicContact CB-CD1 3.12Å; P415-L419 HydrophobicContact CG-CD1 3.46Å; P415-L419 VanDerWaalsContact CG-CD1 3.46Å; P415-L465 HydrophobicContact CB-CD2 3.7Å; P415-D498 WeakPolarHBondContact CD-O 3.49Å
416L62.3Low66.3Low49 Ų4970.5 Ų70.526%0.25737%0.366SS..SBendtrans-80.5-18.5177.9-71.1173000113.2T453 E464L416-T453 HydrophobicContact CD1-CG2 4.04Å; L416-E464 HydrophobicContact CD1-CB 4.23Å; L416-E464 PolarHBondContact N-O 3.12Å; L416-E464 VanDerWaalsContact N-O 3.1Å
417K58.5Low66.6Low152 Ų15269 Ų6966%0.66137%0.368SS*.SBendtrans-124.4145.9173.6-67.8178.6-178.61740108.9P415 L419P415-K417 WeakPolarHBondContact CB-O 3.38Å; K417-L419 PolarHBondContact O-N 2.9Å
418P58.2Low67Low110 Ų11066.6 Ų66.671%0.71435%0.353SS*.PPolyproline II helixtrans-61.1124.8178.724.2-31.4000109.9T501P418-T501 HydrophobicContact CB-CG2 4.04Å
419L61.8Low67.2Low53 Ų5368.1 Ų68.128%0.27736%0.36SS..PPolyproline II helixtrans-73.1148.8176.1-89.493.1000110.8P415 K417 D423 I428 L463P415-L419 HydrophobicContact CB-CD1 3.12Å; P415-L419 HydrophobicContact CG-CD1 3.46Å; P415-L419 VanDerWaalsContact CG-CD1 3.46Å; K417-L419 PolarHBondContact O-N 2.9Å; L419-D423 HydrophobicContact CD2-CB 3.91Å; L419-I428 HydrophobicContact CD2-CD1 3.68Å; L419-L463 HydrophobicContact CD2-CD2 4.25Å; L419-L463 HydrophobicContact CG-CD2 4.33Å
420P60.7Low67.8Low86 Ų8668 Ų6856%0.55836%0.357SS*.PPolyproline II helixtrans-59.8151.8164.7-14.228.3000111D422P420-D422 PolarHBondContact O-N 2.78Å; P420-D422 VanDerWaalsContact O-N 3.08Å
421E56.8Low68.1Low188 Ų18869.7 Ų69.788%0.87937%0.367SS*.THydrogen-bonded Turntrans-66.9-8.2-177-65.4-165.8157.100114.6
422D56Low68.1Low151 Ų15169.7 Ų69.781%0.80737%0.366SS*.THydrogen-bonded Turntrans-90.4-7.2-172.3-68.6-35.9000115.4P420P420-D422 PolarHBondContact O-N 2.78Å; P420-D422 VanDerWaalsContact O-N 3.08Å
423D62.7Low67.9Low66 Ų6666.8 Ų66.835%0.35336%0.357SS..  trans-87.9120-179.1-79.2-30.7000112.2L419 R499L419-D423 HydrophobicContact CD2-CB 3.91Å; D423-R499 PolarHBondContact O-NH2 2.91Å
424D68.1Low67.7Low120 Ų12072 Ų7264%0.64239%0.385SS*.  trans-71.6133.7175.7-78.4-35.3000111.9E426 A427 I428D424-E426 PolarHBondContact O-N 3.1Å; D424-E426 VanDerWaalsContact O-N 3.14Å; D424-A427 HydrophobicContact CB-CB 4.25Å; D424-A427 WeakPolarHBondContact O-CB 3.49Å; D424-A427 PolarHBondContact O-N 2.93Å; D424-I428 PolarHBondContact O-N 3.32Å
425D69.6Low67.9Low56 Ų5673.1 Ų73.130%0.29939%0.388SS..Hα-helixtrans-58.5-31.5179.1-69.4-7.7000112I428 Q429 R499D425-I428 PolarHBondContact O-N 2.82Å; D425-Q429 WeakPolarHBondContact O-CG 3.36Å; D425-Q429 PolarHBondContact O-N 2.64Å; D425-R499 IonicContact OD1-CZ 3.24Å; D425-R499 VanDerWaalsContact OD1-CZ 3.24Å; D425-R499 IonicContact OD1-NE 2.87Å; D425-R499 PolarHBondContact OD1-NE 3.07Å; D425-R499 IonicContact OD1-NH2 2.75Å; D425-R499 PolarHBondContact OD1-NH2 2.89Å; D425-R499 IonicContact OD2-NE 3.6Å; D425-R499 IonicContact OD2-NH2 3.72Å
426E71Confident68Low138 Ų13872.9 Ų72.965%0.64539%0.386SS*.Hα-helixtrans-67.5-34.5175.6-66.7-166-18000112.8D424 Q429 T430D424-E426 PolarHBondContact O-N 3.1Å; D424-E426 VanDerWaalsContact O-N 3.14Å; E426-Q429 PolarHBondContact O-N 3.09Å; E426-T430 WeakPolarHBondContact O-CG2 3.26Å; E426-T430 PolarHBondContact O-N 2.71Å; E426-T430 PolarHBondContact O-OG1 3.4Å
427A71.9Confident68.3Low44 Ų4475.2 Ų75.236%0.36440%0.396SS..Hα-helixtrans-69.9-36.2178.900000111.4D424 T430 T431D424-A427 HydrophobicContact CB-CB 4.25Å; D424-A427 WeakPolarHBondContact O-CB 3.49Å; D424-A427 PolarHBondContact O-N 2.93Å; A427-T430 WeakPolarHBondContact CA-OG1 3.42Å; A427-T430 PolarHBondContact O-OG1 3.02Å; A427-T431 WeakPolarHBondContact O-CB 3.49Å; A427-T431 PolarHBondContact O-N 3.03Å; A427-T431 PolarHBondContact O-OG1 3.22Å
428I73.8Confident68.8Low11 Ų1172 Ų726%0.05639%0.393CS..Hα-helixtrans-67.4-42.4175.2-60.4172000110.3L419 D424 D425 T431 F432 L465 V497L419-I428 HydrophobicContact CD2-CD1 3.68Å; D424-I428 PolarHBondContact O-N 3.32Å; D425-I428 PolarHBondContact O-N 2.82Å; I428-T431 PolarHBondContact O-N 3.28Å; I428-F432 WeakPolarHBondContact O-CB 3.27Å; I428-F432 PolarHBondContact O-N 3.28Å; I428-L465 HydrophobicContact CG2-CD1 3.8Å; I428-V497 HydrophobicContact CD1-CG1 4.42Å; I428-V497 HydrophobicContact CG2-CG2 4.5Å
429Q75.1Confident68.8Low31 Ų3170.4 Ų70.415%0.14537%0.374CS..Hα-helixtrans-64.3-41.8176.4-69.7175.410.800112.5D425 E426 F432 L433 I495 V497D425-Q429 WeakPolarHBondContact O-CG 3.36Å; D425-Q429 PolarHBondContact O-N 2.64Å; E426-Q429 PolarHBondContact O-N 3.09Å; Q429-F432 PolarHBondContact O-N 3.04Å; Q429-L433 WeakPolarHBondContact O-CG 3.32Å; Q429-L433 PolarHBondContact O-N 3.42Å; Q429-I495 HydrophobicContact CG-CB 4.39Å; Q429-I495 HydrophobicContact CG-CG2 4.09Å; Q429-I495 PolarHBondContact NE2-O 3.33Å; Q429-V497 HydrophobicContact CG-CG2 3.82Å
430T74.4Confident68.7Low47 Ų4770.3 Ų70.329%0.28838%0.378SS..Hα-helixtrans-66.4-44.3175.848.70000111.6E426 A427 F432 L433 D434 K492E426-T430 WeakPolarHBondContact O-CG2 3.26Å; E426-T430 PolarHBondContact O-N 2.71Å; E426-T430 PolarHBondContact O-OG1 3.4Å; A427-T430 WeakPolarHBondContact CA-OG1 3.42Å; A427-T430 PolarHBondContact O-OG1 3.02Å; T430-F432 VanDerWaalsContact C-N 3.27Å; T430-F432 PolarHBondContact O-N 3.49Å; T430-L433 PolarHBondContact O-N 3.33Å; T430-L433 VanDerWaalsContact O-N 3.15Å; T430-D434 VanDerWaalsContact O-CG 3.31Å; T430-D434 PolarHBondContact O-N 3.45Å; T430-K492 VanDerWaalsContact CG2-CE 3.43Å; T430-K492 VanDerWaalsContact CG2-NZ 3.26Å
431T73.9Confident68.2Low42 Ų4274.2 Ų74.226%0.25839%0.388SS..Hα-helixtrans-61.6-37177.8-520000111.5A427 I428 W435 L456A427-T431 WeakPolarHBondContact O-CB 3.49Å; A427-T431 PolarHBondContact O-N 3.03Å; A427-T431 PolarHBondContact O-OG1 3.22Å; I428-T431 PolarHBondContact O-N 3.28Å; T431-W435 WeakPolarHBondContact O-CB 3.28Å; T431-W435 PolarHBondContact O-N 3.47Å; T431-L456 HydrophobicContact CG2-CB 4.49Å
432F76.9Confident68.3Low0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-67.5-42.1174.3178.6-97000112.8L413 I428 Q429 T430 W435 L436 V454 L456 L467 I495L413-F432 HydrophobicContact CD1-CB 4.06Å; L413-F432 HydrophobicContact CD1-CD1 4.26Å; L413-F432 HydrophobicContact CD1-CD2 3.93Å; L413-F432 HydrophobicContact CD1-CG 3.8Å; L413-F432 HydrophobicContact CD2-CD2 4.12Å; L413-F432 HydrophobicContact CD2-CE2 4.01Å; L413-F432 HydrophobicContact CD2-CZ 4.49Å; I428-F432 WeakPolarHBondContact O-CB 3.27Å; I428-F432 PolarHBondContact O-N 3.28Å; Q429-F432 PolarHBondContact O-N 3.04Å; T430-F432 VanDerWaalsContact C-N 3.27Å; T430-F432 PolarHBondContact O-N 3.49Å; F432-W435 HydrophobicContact CD2-CE3 4.35Å; F432-W435 HydrophobicContact CE2-CE3 4.09Å; F432-W435 HydrophobicContact CE2-CZ3 4.08Å; F432-W435 HydrophobicContact CZ-CZ3 4.49Å; F432-W435 WeakPolarHBondContact O-CB 3.46Å; F432-W435 PolarHBondContact O-N 3.42Å; F432-L436 WeakPolarHBondContact O-CB 3.28Å; F432-L436 PolarHBondContact O-N 2.66Å; F432-V454 HydrophobicContact CE2-CG1 4.43Å; F432-L456 HydrophobicContact CB-CD1 3.93Å; F432-L456 HydrophobicContact CB-CD2 4.49Å; F432-L456 HydrophobicContact CD2-CD1 4.18Å; F432-L456 HydrophobicContact CD2-CD2 4.09Å; F432-L467 HydrophobicContact CE2-CD1 3.65Å; F432-L467 HydrophobicContact CZ-CD1 3.53Å; F432-I495 HydrophobicContact CD1-CD1 3.92Å; F432-I495 HydrophobicContact CE1-CD1 4.29Å
433L74.1Confident68.1Low22 Ų2266.8 Ų66.812%0.11536%0.355CS..Hα-helixtrans-66.5-40.9176.4-73.1170.7000111.5Q429 T430 W435 L436 H437 K492 I495Q429-L433 WeakPolarHBondContact O-CG 3.32Å; Q429-L433 PolarHBondContact O-N 3.42Å; T430-L433 PolarHBondContact O-N 3.33Å; T430-L433 VanDerWaalsContact O-N 3.15Å; L433-W435 VanDerWaalsContact C-N 3.32Å; L433-W435 PolarHBondContact O-N 3.46Å; L433-L436 WeakPolarHBondContact O-CB 3.4Å; L433-L436 PolarHBondContact O-N 3.28Å; L433-L436 VanDerWaalsContact O-N 3.14Å; L433-H437 WeakPolarHBondContact O-CB 3.43Å; L433-H437 PolarHBondContact O-CD2 3.47Å; L433-H437 PolarHBondContact O-N 3.28Å; L433-K492 HydrophobicContact CD1-CG 3.82Å; L433-I495 HydrophobicContact CD1-CD1 4.42Å; L433-I495 HydrophobicContact CD2-CD1 3.97Å; L433-I495 HydrophobicContact CG-CD1 4.06Å
434D71.6Confident67.7Low108 Ų10865.5 Ų65.558%0.57835%0.349SS*.Hα-helixtrans-62.9-39.5175.2-69.8-24.8000111.5T430 H437 S438T430-D434 VanDerWaalsContact O-CG 3.31Å; T430-D434 PolarHBondContact O-N 3.45Å; D434-H437 PolarHBondContact O-N 3.41Å; D434-S438 WeakPolarHBondContact O-CB 3.45Å; D434-S438 PolarHBondContact O-N 3.08Å
435W77.8Confident67Low56 Ų5660.4 Ų60.421%0.21232%0.323CS..Hα-helixtrans-61.5-44.4170.8174.691.1000112.1T431 F432 L433 S438 K439 V454 L456T431-W435 WeakPolarHBondContact O-CB 3.28Å; T431-W435 PolarHBondContact O-N 3.47Å; F432-W435 HydrophobicContact CD2-CE3 4.35Å; F432-W435 HydrophobicContact CE2-CE3 4.09Å; F432-W435 HydrophobicContact CE2-CZ3 4.08Å; F432-W435 HydrophobicContact CZ-CZ3 4.49Å; F432-W435 WeakPolarHBondContact O-CB 3.46Å; F432-W435 PolarHBondContact O-N 3.42Å; L433-W435 VanDerWaalsContact C-N 3.32Å; L433-W435 PolarHBondContact O-N 3.46Å; W435-S438 WeakPolarHBondContact O-CB 3.45Å; W435-S438 PolarHBondContact O-N 3.01Å; W435-K439 HydrophobicContact CD2-CG 4.34Å; W435-K439 HydrophobicContact CZ2-CG 4.16Å; W435-K439 WeakPolarHBondContact O-CG 3.38Å; W435-K439 PolarHBondContact O-N 2.91Å; W435-V454 HydrophobicContact CD2-CG1 4.11Å; W435-V454 HydrophobicContact CE3-CG1 4.16Å; W435-V454 HydrophobicContact CH2-CG1 3.73Å; W435-V454 HydrophobicContact CH2-CG2 4.3Å; W435-V454 HydrophobicContact CZ2-CG1 3.63Å; W435-V454 HydrophobicContact CZ3-CG1 3.98Å; W435-L456 HydrophobicContact CB-CD2 3.61Å; W435-L456 HydrophobicContact CD2-CD2 4.01Å; W435-L456 HydrophobicContact CG-CD2 3.59Å
436L72.9Confident66.3Low0 Ų058 Ų580%031%0.311CS..Hα-helixtrans-65-40.8178.4-171.271.1000111.6F432 L433 K439 S440 L485 P487 L490F432-L436 WeakPolarHBondContact O-CB 3.28Å; F432-L436 PolarHBondContact O-N 2.66Å; L433-L436 WeakPolarHBondContact O-CB 3.4Å; L433-L436 PolarHBondContact O-N 3.28Å; L433-L436 VanDerWaalsContact O-N 3.14Å; L436-K439 PolarHBondContact O-N 2.92Å; L436-S440 PolarHBondContact O-N 2.87Å; L436-L485 HydrophobicContact CD1-CB 3.68Å; L436-L485 HydrophobicContact CD1-CD1 4.22Å; L436-P487 HydrophobicContact CD2-CB 4.1Å; L436-P487 HydrophobicContact CG-CB 4.5Å; L436-L490 HydrophobicContact CD2-CD1 4.15Å
437H68.4Low65.9Low98 Ų9851.7 Ų51.745%0.45428%0.281SS..Hα-helixtrans-64.4-41.8174.1-78.9-66000111.7L433 D434 K439 S440L433-H437 WeakPolarHBondContact O-CB 3.43Å; L433-H437 PolarHBondContact O-CD2 3.47Å; L433-H437 PolarHBondContact O-N 3.28Å; D434-H437 PolarHBondContact O-N 3.41Å; H437-K439 VanDerWaalsContact C-N 3.3Å; H437-K439 PolarHBondContact O-N 3.25Å; H437-S440 WeakPolarHBondContact O-CB 3.41Å; H437-S440 PolarHBondContact O-N 3.22Å; H437-S440 PolarHBondContact O-OG 2.94Å
438S68.7Low65.3Low86 Ų8650.2 Ų50.260%0.60127%0.268SS*.Hα-helixtrans-61.8-36.3174.5-179.80000112.4D434 W435D434-S438 WeakPolarHBondContact O-CB 3.45Å; D434-S438 PolarHBondContact O-N 3.08Å; W435-S438 WeakPolarHBondContact O-CB 3.45Å; W435-S438 PolarHBondContact O-N 3.01Å
439K59.5Low64.9Low76 Ų7651 Ų5133%0.3327%0.274SS..Hα-helixtrans-86.3-9.3179.5-66.5-61.7-177.1-173.70115.3W435 L436 H437 H441 E442W435-K439 HydrophobicContact CD2-CG 4.34Å; W435-K439 HydrophobicContact CZ2-CG 4.16Å; W435-K439 WeakPolarHBondContact O-CG 3.38Å; W435-K439 PolarHBondContact O-N 2.91Å; L436-K439 PolarHBondContact O-N 2.92Å; H437-K439 VanDerWaalsContact C-N 3.3Å; H437-K439 PolarHBondContact O-N 3.25Å; K439-H441 PolarHBondContact O-N 3.48Å; K439-H441 VanDerWaalsContact O-N 3.12Å; K439-E442 PolarHBondContact O-N 3.4Å; K439-E442 VanDerWaalsContact O-N 3.08Å
440S58Low64.5Low50 Ų5052.9 Ų52.935%0.3528%0.279SS..THydrogen-bonded Turntrans-61.2-19.8-179.271.20000114.8L436 H437 E442L436-S440 PolarHBondContact O-N 2.87Å; H437-S440 WeakPolarHBondContact O-CB 3.41Å; H437-S440 PolarHBondContact O-N 3.22Å; H437-S440 PolarHBondContact O-OG 2.94Å; S440-E442 VanDerWaalsContact C-N 3.27Å; S440-E442 PolarHBondContact O-N 3.47Å
441H52Low64Low168 Ų16854.8 Ų54.878%0.77830%0.295SS*.THydrogen-bonded Turntrans-73.1-13.3175.8-66.4-68.8000113.8K439K439-H441 PolarHBondContact O-N 3.48Å; K439-H441 VanDerWaalsContact O-N 3.12Å
442E57.1Low63.4Low105 Ų10553.6 Ų53.649%0.49129%0.291SS..  trans-117101.6173.1-74.8-174.9176.500110.6R357 K439 S440 L444 A445R357-E442 IonicContact NH2-OE2 3.16Å; K439-E442 PolarHBondContact O-N 3.4Å; K439-E442 VanDerWaalsContact O-N 3.08Å; S440-E442 VanDerWaalsContact C-N 3.27Å; S440-E442 PolarHBondContact O-N 3.47Å; E442-L444 PolarHBondContact O-N 2.86Å; E442-L444 VanDerWaalsContact O-N 3.13Å; E442-A445 HydrophobicContact CB-CB 3.77Å; E442-A445 WeakPolarHBondContact O-CB 3.41Å; E442-A445 PolarHBondContact O-N 3.47Å
443P52.8Low62.5Low78 Ų7856.4 Ų56.451%0.50631%0.308SS..THydrogen-bonded Turntrans-64.6-24.1-172.524.4-33.7000113.8P247P247-P443 HydrophobicContact CB-CB 4.08Å; P247-P443 HydrophobicContact CG-CB 4.19Å
444L54.4Low61.9Low40 Ų4055.9 Ų55.921%0.20931%0.306CS..THydrogen-bonded Turntrans-82.3-17.9175.7-66172.8000113.1Y301 E442 C446 L447Y301-L444 WeakPolarHBondContact CE2-O 3.36Å; Y301-L444 PolarHBondContact OH-O 3.42Å; E442-L444 PolarHBondContact O-N 2.86Å; E442-L444 VanDerWaalsContact O-N 3.13Å; L444-C446 VanDerWaalsContact C-N 3.33Å; L444-L447 HydrophobicContact CD2-CD1 4.08Å
445A53.3Low61.1Low12 Ų1253.3 Ų53.310%0.09929%0.292CS..THydrogen-bonded Turntrans-79.7-17.3178.800000113.1E442 L447E442-A445 HydrophobicContact CB-CB 3.77Å; E442-A445 WeakPolarHBondContact O-CB 3.41Å; E442-A445 PolarHBondContact O-N 3.47Å; A445-L447 VanDerWaalsContact C-N 3.34Å
446C54.5Low60.4Low7 Ų750.7 Ų50.75%0.04728%0.282CS..THydrogen-bonded Turntrans-91.48.9-179.3-59.50000113.5L444 L484 L485L444-C446 VanDerWaalsContact C-N 3.33Å; C446-L484 HydrophobicContact CB-CD1 4.17Å; C446-L485 WeakPolarHBondContact O-CB 3.33Å; C446-L485 PolarHBondContact O-N 3.3Å
447L63.3Low59.4Low4 Ų456.8 Ų56.82%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-93.9124.6176.1-67.3173.2000110I249 Y301 T405 L444 A445 F483 L484I249-L447 HydrophobicContact CD1-CD1 4.46Å; I249-L447 HydrophobicContact CG1-CD1 4.32Å; Y301-L447 HydrophobicContact CD2-CD1 4.35Å; Y301-L447 HydrophobicContact CE1-CB 4.38Å; Y301-L447 HydrophobicContact CE2-CB 3.96Å; Y301-L447 HydrophobicContact CE2-CD1 4.01Å; Y301-L447 PolarHBondContact OH-O 3.25Å; T405-L447 HydrophobicContact CG2-CD2 3.81Å; L444-L447 HydrophobicContact CD2-CD1 4.08Å; A445-L447 VanDerWaalsContact C-N 3.34Å; L447-F483 WeakPolarHBondContact CA-O 3.5Å; L447-L484 HydrophobicContact CD2-CB 4.02Å; L447-L484 HydrophobicContact CD2-CD1 3.85Å; L447-L484 HydrophobicContact CG-CD1 4.45Å
448T59.5Low58.7Low13 Ų1353.4 Ų53.48%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-124.7144177.455.90000111.5F483 L485T448-F483 PolarHBondContact N-O 3.21Å; T448-F483 PolarHBondContact O-N 2.9Å; T448-L485 HydrophobicContact CG2-CD1 3.63Å; T448-L485 HydrophobicContact CG2-CG 4.28Å
449P64.8Low57.6Low29 Ų2957.4 Ų57.419%0.18832%0.316CS..  trans-64.2172.5162.929.8-34.1000110.5V355 S451V355-P449 HydrophobicContact CB-CB 4.11Å; V355-P449 HydrophobicContact CG1-CB 4.49Å; P449-S451 WeakPolarHBondContact CG-O 3.37Å; P449-S451 PolarHBondContact O-N 3.42Å
450R67.6Low57Low69 Ų6962 Ų6226%0.2634%0.344SS..SBendtrans-56.3-35.4-178.8-164.5174.2-158.7121.214.6113.1T468 V469 P472 K473 P474 D477 F483R450-T468 CarbonylContact O-C 3.6Å; R450-T468 WeakPolarHBondContact O-CA 3.33Å; R450-V469 PolarHBondContact O-N 3.46Å; R450-P472 PolarHBondContact NH2-O 2.89Å; R450-K473 VanDerWaalsContact NH2-C 3.32Å; R450-P474 VanDerWaalsContact CZ-CA 3.49Å; R450-D477 IonicContact CZ-OD2 3.8Å; R450-D477 IonicContact NH1-OD2 2.86Å; R450-D477 PolarHBondContact NH1-OD2 3.17Å; R450-D477 IonicContact NH2-OD2 3.91Å; R450-F483 HydrophobicContact CB-CE2 3.92Å; R450-F483 HydrophobicContact CG-CE2 4.12Å
451S63.4Low56.8Low87 Ų8762.6 Ų62.661%0.60835%0.352SS*.EExtended strand (participates in β ladder)trans-128.6119.3170.8480000109P449 L467P449-S451 WeakPolarHBondContact CG-O 3.37Å; P449-S451 PolarHBondContact O-N 3.42Å; S451-L467 CarbonylContact C-O 3.48Å; S451-L467 VanDerWaalsContact CA-O 3.31Å; S451-L467 WeakPolarHBondContact CA-O 3.46Å
452G61.2Low57.1Low17 Ų1761.9 Ų61.918%0.17535%0.347CS..EExtended strand (participates in β ladder)trans-131.4172.317900000111.4S466 L467G452-S466 CarbonylContact O-C 3.49Å; G452-S466 WeakPolarHBondContact O-CA 3.39Å; G452-L467 PolarHBondContact N-O 3.2Å; G452-L467 PolarHBondContact O-N 3.19Å
453T58.3Low57.4Low59 Ų5958.5 Ų58.536%0.36233%0.332SS..EExtended strand (participates in β ladder)trans-114.6137.2171.149.60000109.2L416L416-T453 HydrophobicContact CD1-CG2 4.04Å
454V60.7Low57.9Low11 Ų1158.5 Ų58.57%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-127.4133.7-178.8-179.40000107.8F432 W435 L456 L465 L467F432-V454 HydrophobicContact CE2-CG1 4.43Å; W435-V454 HydrophobicContact CD2-CG1 4.11Å; W435-V454 HydrophobicContact CE3-CG1 4.16Å; W435-V454 HydrophobicContact CH2-CG1 3.73Å; W435-V454 HydrophobicContact CH2-CG2 4.3Å; W435-V454 HydrophobicContact CZ2-CG1 3.63Å; W435-V454 HydrophobicContact CZ3-CG1 3.98Å; V454-L456 HydrophobicContact CG1-CD2 3.99Å; V454-L456 HydrophobicContact CG1-CG 4.39Å; V454-L465 PolarHBondContact N-O 3.06Å; V454-L465 PolarHBondContact O-N 2.87Å; V454-L465 VanDerWaalsContact O-O 3.08Å; V454-L467 HydrophobicContact CG2-CB 3.94Å; V454-L467 HydrophobicContact CG2-CD1 3.97Å
455L55.8Low58.5Low55 Ų5556.9 Ų56.929%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-104115.9176.3-170.1141.8000108.9H457 K462 E464L455-H457 WeakPolarHBondContact CD2-CE1 3.25Å; L455-K462 HydrophobicContact CD2-CD 4.48Å; L455-K462 HydrophobicContact CD2-CG 4.45Å; L455-E464 HydrophobicContact CD1-CG 3.77Å; L455-E464 HydrophobicContact CG-CG 4.27Å
456L61.9Low59Low1 Ų156.8 Ų56.81%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-101.6139.7177.7-62.1-179.3000109.8T431 F432 W435 V454 L463 L465T431-L456 HydrophobicContact CG2-CB 4.49Å; F432-L456 HydrophobicContact CB-CD1 3.93Å; F432-L456 HydrophobicContact CB-CD2 4.49Å; F432-L456 HydrophobicContact CD2-CD1 4.18Å; F432-L456 HydrophobicContact CD2-CD2 4.09Å; W435-L456 HydrophobicContact CB-CD2 3.61Å; W435-L456 HydrophobicContact CD2-CD2 4.01Å; W435-L456 HydrophobicContact CG-CD2 3.59Å; V454-L456 HydrophobicContact CG1-CD2 3.99Å; V454-L456 HydrophobicContact CG1-CG 4.39Å; L456-L463 HydrophobicContact CB-CB 4.47Å; L456-L463 PolarHBondContact N-O 3.01Å; L456-L463 PolarHBondContact O-N 3.2Å; L456-L465 HydrophobicContact CD1-CD1 3.49Å; L456-L465 VanDerWaalsContact CD1-CD1 3.49Å; L456-L465 HydrophobicContact CD1-CG 4.46Å; L456-L465 HydrophobicContact CG-CD1 4.36Å
457H52.2Low59.8Low128 Ų12856.5 Ų56.559%0.59331%0.313SS*.EExtended strand (participates in β ladder)trans-101.6102.3175.2-67.379.7000107.9L455L455-H457 WeakPolarHBondContact CD2-CE1 3.25Å
458G53.4Low60Low26 Ų2658 Ų5827%0.26832%0.322SS..  trans-96.8-178.1171.200000112D460 A461G458-D460 VanDerWaalsContact C-N 3.25Å; G458-D460 PolarHBondContact O-N 2.84Å; G458-A461 PolarHBondContact N-O 3.45Å
459N46.9Very low60.4Low170 Ų17057.6 Ų57.691%0.90932%0.32SS*.SBendtrans-6768.3-174.3-73.6-16.6000114
460D45.3Very low60.2Low173 Ų17359 Ų5993%0.92533%0.326SS*.SBendtrans107.41.5171-58.3-27.7000117G458G458-D460 VanDerWaalsContact C-N 3.25Å; G458-D460 PolarHBondContact O-N 2.84Å
461A53.7Low59.6Low62 Ų6261.7 Ų61.751%0.51234%0.339SS..SBendtrans-133.5135.9169.300000112.8G458 L463G458-A461 PolarHBondContact N-O 3.45Å; A461-L463 PolarHBondContact O-N 3.27Å
462K58.3Low59.4Low153 Ų15359.8 Ų59.867%0.66533%0.325SS*.EExtended strand (participates in β ladder)trans-73.3109.4169.8-71.2-179.5178.7177.20108.6L455L455-K462 HydrophobicContact CD2-CD 4.48Å; L455-K462 HydrophobicContact CD2-CG 4.45Å
463L63.8Low59.3Low35 Ų3566.9 Ų66.918%0.18335%0.351CS..EExtended strand (participates in β ladder)trans-91.3116.2178.3-69.3170.8000109.5L419 L456 A461L419-L463 HydrophobicContact CD2-CD2 4.25Å; L419-L463 HydrophobicContact CG-CD2 4.33Å; L456-L463 HydrophobicContact CB-CB 4.47Å; L456-L463 PolarHBondContact N-O 3.01Å; L456-L463 PolarHBondContact O-N 3.2Å; A461-L463 PolarHBondContact O-N 3.27Å
464E63Low59.2Low78 Ų7867.8 Ų67.836%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-95.4111.9173.4-75.7-177.4-178.900110.2L416 L455L416-E464 HydrophobicContact CD1-CB 4.23Å; L416-E464 PolarHBondContact N-O 3.12Å; L416-E464 VanDerWaalsContact N-O 3.1Å; L455-E464 HydrophobicContact CD1-CG 3.77Å; L455-E464 HydrophobicContact CG-CG 4.27Å
465L68.5Low58.7Low5 Ų573.8 Ų73.83%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-114.6137.9180-57.3179.1000110.1L413 Q414 P415 I428 V454 L456L413-L465 HydrophobicContact CB-CD1 4.37Å; L413-L465 HydrophobicContact CD1-CD1 4.38Å; Q414-L465 CarbonylContact O-C 3.52Å; Q414-L465 WeakPolarHBondContact O-CA 3.43Å; P415-L465 HydrophobicContact CB-CD2 3.7Å; I428-L465 HydrophobicContact CG2-CD1 3.8Å; V454-L465 PolarHBondContact N-O 3.06Å; V454-L465 PolarHBondContact O-N 2.87Å; V454-L465 VanDerWaalsContact O-O 3.08Å; L456-L465 HydrophobicContact CD1-CD1 3.49Å; L456-L465 VanDerWaalsContact CD1-CD1 3.49Å; L456-L465 HydrophobicContact CD1-CG 4.46Å; L456-L465 HydrophobicContact CG-CD1 4.36Å
466S63.1Low58.4Low11 Ų1179 Ų798%0.07742%0.418CS..EExtended strand (participates in β ladder)trans-83.1127.2163.359.20000110.2L413 Q414 G452 I502L413-S466 WeakPolarHBondContact CA-O 3.38Å; Q414-S466 WeakPolarHBondContact CB-OG 3.5Å; Q414-S466 PolarHBondContact N-O 3.4Å; Q414-S466 PolarHBondContact O-N 3.25Å; Q414-S466 PolarHBondContact O-OG 2.9Å; Q414-S466 VanDerWaalsContact O-OG 3.12Å; G452-S466 CarbonylContact O-C 3.49Å; G452-S466 WeakPolarHBondContact O-CA 3.39Å; S466-I502 WeakPolarHBondContact OG-CD1 3.37Å
467L71.9Confident58.2Low1 Ų180.8 Ų80.81%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-99.2126177.1-177.1150.5000109.5I411 L413 F432 S451 G452 V454 V469 L485I411-L467 HydrophobicContact CG2-CD1 3.96Å; I411-L467 HydrophobicContact CG2-CD2 3.92Å; I411-L467 HydrophobicContact CG2-CG 3.54Å; L413-L467 HydrophobicContact CD2-CB 4.04Å; L413-L467 HydrophobicContact CD2-CD1 4.11Å; L413-L467 HydrophobicContact CD2-CG 4.11Å; F432-L467 HydrophobicContact CE2-CD1 3.65Å; F432-L467 HydrophobicContact CZ-CD1 3.53Å; S451-L467 CarbonylContact C-O 3.48Å; S451-L467 VanDerWaalsContact CA-O 3.31Å; S451-L467 WeakPolarHBondContact CA-O 3.46Å; G452-L467 PolarHBondContact N-O 3.2Å; G452-L467 PolarHBondContact O-N 3.19Å; V454-L467 HydrophobicContact CG2-CB 3.94Å; V454-L467 HydrophobicContact CG2-CD1 3.97Å; L467-V469 HydrophobicContact CD2-CG2 4.15Å; L467-L485 HydrophobicContact CD1-CD1 4.07Å
468T66.3Low58.5Low34 Ų3477.9 Ų77.921%0.20942%0.42CS..EExtended strand (participates in β ladder)trans-124.8130.6176.354.10000111.2I411 R412 R450I411-T468 CarbonylContact C-O 3.53Å; I411-T468 WeakPolarHBondContact CA-O 3.33Å; R412-T468 WeakPolarHBondContact CB-OG1 3.37Å; R412-T468 PolarHBondContact N-O 2.81Å; R412-T468 PolarHBondContact O-N 2.97Å; R412-T468 PolarHBondContact O-OG1 3.29Å; R450-T468 CarbonylContact O-C 3.6Å; R450-T468 WeakPolarHBondContact O-CA 3.33Å
469V69.3Low58.7Low6 Ų681 Ų814%0.03644%0.436CS..EExtended strand (participates in β ladder)trans-86.1117.7179.4-1780000109.7A408 R450 L467 F483A408-V469 HydrophobicContact CB-CG1 3.87Å; A408-V469 HydrophobicContact CB-CG2 4.36Å; R450-V469 PolarHBondContact O-N 3.46Å; L467-V469 HydrophobicContact CD2-CG2 4.15Å; V469-F483 HydrophobicContact CB-CD2 4.35Å; V469-F483 HydrophobicContact CB-CG 4.44Å; V469-F483 HydrophobicContact CG1-CD1 4.06Å; V469-F483 HydrophobicContact CG1-CD2 4.43Å; V469-F483 HydrophobicContact CG1-CE1 4.34Å; V469-F483 HydrophobicContact CG1-CG 4.11Å; V469-F483 HydrophobicContact CG2-CB 4.18Å; V469-F483 HydrophobicContact CG2-CD2 4.15Å; V469-F483 HydrophobicContact CG2-CG 4.17Å
470L59.8Low59.2Low58 Ų5874.9 Ų74.930%0.30440%0.403SS..EExtended strand (participates in β ladder)trans-90.2-33.6-176.7-67.3177000113.5G410 R412 Q496G410-L470 PolarHBondContact O-N 3.22Å; R412-L470 HydrophobicContact CB-CD1 3.9Å; R412-L470 HydrophobicContact CB-CD2 4.37Å; R412-L470 HydrophobicContact CB-CG 4.08Å; L470-Q496 HydrophobicContact CD1-CG 4.42Å; L470-Q496 VanDerWaalsContact CD1-OE1 3.27Å
471K55.5Low60.2Low125 Ų12567.5 Ų67.554%0.54336%0.363SS..EExtended strand (participates in β ladder)trans-128.1126.8-179.1-68.5-179.7-179171.80110.2S409 G410S409-K471 PolarHBondContact N-O 2.79Å; S409-K471 WeakPolarHBondContact OG-CB 3.39Å; S409-K471 PolarHBondContact OG-O 3.17Å; G410-K471 PolarHBondContact O-N 3.03Å
472P59.3Low60.8Low47 Ų4764.5 Ų64.531%0.30534%0.338SS..SBendcis-74.4163.19.128.8-34.9000116K406 R450 F483K406-P472 HydrophobicContact CD-CG 4.19Å; R450-P472 PolarHBondContact NH2-O 2.89Å; P472-F483 HydrophobicContact CG-CE1 3.96Å
473K57.8Low61.2Low167 Ų16757.3 Ų57.373%0.72631%0.307SS*.  trans-68153.8-177.6-72.5-176.5179.5-177.90113.1R450 D475R450-K473 VanDerWaalsContact NH2-C 3.32Å; K473-D475 PolarHBondContact O-N 3.42Å
474P57.6Low61.5Low78 Ų7856.3 Ų56.351%0.50630%0.301SS..SBendtrans-79.3-10.8-166.529.1-35.5000118.3R450 N476R450-P474 VanDerWaalsContact CZ-CA 3.49Å; P474-N476 PolarHBondContact O-N 3.13Å
475D49.6Very low61.6Low137 Ų13752.7 Ų52.773%0.73329%0.285SS*.THydrogen-bonded Turntrans-68.59.1-157.5-64.2-29.8000117.4K473K473-D475 PolarHBondContact O-N 3.42Å
476N49.1Very low61.6Low164 Ų16452.7 Ų52.788%0.87729%0.286SS*.THydrogen-bonded Turntrans-163.620.3176.3-107.1-20.5000116P474P474-N476 PolarHBondContact O-N 3.13Å
477D57Low61.4Low38 Ų3854.4 Ų54.420%0.20330%0.296CS..  trans-90.4135.1-175.2-66.3-28.5000111.9K406 R450 Q481K406-D477 IonicContact NZ-OD1 2.66Å; K406-D477 PolarHBondContact NZ-OD1 3.22Å; R450-D477 IonicContact CZ-OD2 3.8Å; R450-D477 IonicContact NH1-OD2 2.86Å; R450-D477 PolarHBondContact NH1-OD2 3.17Å; R450-D477 IonicContact NH2-OD2 3.91Å; D477-Q481 PolarHBondContact OD1-OE1 3.22Å
478P59Low60.8Low68 Ų6859.6 Ų59.644%0.44233%0.328SS..  trans-65.3151173.127.7-33.4000111.3D480 Q481P478-D480 PolarHBondContact O-N 3.49Å; P478-D480 VanDerWaalsContact O-N 3.09Å; P478-Q481 HydrophobicContact CG-CB 4.44Å; P478-Q481 WeakPolarHBondContact O-CB 3.25Å; P478-Q481 PolarHBondContact O-N 2.85Å; P478-Q481 VanDerWaalsContact O-N 3.13Å
479P58.2Low60.7Low92 Ų9260.9 Ų60.960%0.59734%0.336SS*.THydrogen-bonded Turntrans-61.1-22.6-177.624.9-34.2000113.3V355 Q481V355-P479 WeakPolarHBondContact CG2-O 3.12Å; P479-Q481 VanDerWaalsContact C-N 3.28Å; P479-Q481 PolarHBondContact O-N 3.42Å
480D56.2Low60.6Low40 Ų4060.8 Ų60.821%0.21434%0.335CS..THydrogen-bonded Turntrans-85.315.7179.4-61.8-19.9000113.7S303 V401 S403 P478S303-D480 WeakPolarHBondContact CB-OD1 3.44Å; S303-D480 VanDerWaalsContact OG-CG 3.23Å; S303-D480 PolarHBondContact OG-OD1 3.42Å; V401-D480 HydrophobicContact CG1-CB 4.35Å; V401-D480 WeakPolarHBondContact CG1-O 3.32Å; S403-D480 VanDerWaalsContact CB-O 3.29Å; S403-D480 WeakPolarHBondContact CB-O 3.48Å; S403-D480 WeakPolarHBondContact OG-CB 3.37Å; S403-D480 PolarHBondContact OG-O 3.29Å; S403-D480 VanDerWaalsContact OG-O 3.1Å; P478-D480 PolarHBondContact O-N 3.49Å; P478-D480 VanDerWaalsContact O-N 3.09Å
481Q68.1Low60.8Low18 Ų1863.8 Ų63.88%0.08435%0.348CS..  trans-82.1123.8-175.7-176138.562.700113.2V404 K406 D477 P478 P479 F483V404-Q481 PolarHBondContact O-NE2 3.4Å; K406-Q481 VanDerWaalsContact CD-NE2 3.35Å; D477-Q481 PolarHBondContact OD1-OE1 3.22Å; P478-Q481 HydrophobicContact CG-CB 4.44Å; P478-Q481 WeakPolarHBondContact O-CB 3.25Å; P478-Q481 PolarHBondContact O-N 2.85Å; P478-Q481 VanDerWaalsContact O-N 3.13Å; P479-Q481 VanDerWaalsContact C-N 3.28Å; P479-Q481 PolarHBondContact O-N 3.42Å; Q481-F483 HydrophobicContact CG-CE2 4.25Å; Q481-F483 HydrophobicContact CG-CZ 4.06Å
482L65.3Low61.2Low0 Ų062.2 Ų62.20%034%0.341CS..  trans-101.2143.5176.6-72.3168.3000112.1I249 Y301 V355 V401 T405 K406I249-L482 HydrophobicContact CD1-CD1 3.49Å; I249-L482 VanDerWaalsContact CD1-CD1 3.49Å; Y301-L482 HydrophobicContact CD1-CD1 4.31Å; Y301-L482 HydrophobicContact CD1-CD2 3.97Å; Y301-L482 HydrophobicContact CE1-CD2 4.32Å; Y301-L482 HydrophobicContact CG-CD1 4.02Å; V355-L482 HydrophobicContact CG1-CD2 3.75Å; V355-L482 HydrophobicContact CG1-CG 4.4Å; V401-L482 HydrophobicContact CB-CD1 4.43Å; V401-L482 HydrophobicContact CG1-CD1 3.97Å; V401-L482 HydrophobicContact CG1-CG 4.45Å; T405-L482 WeakPolarHBondContact CA-O 3.44Å; T405-L482 HydrophobicContact CG2-CB 3.84Å; K406-L482 PolarHBondContact N-O 3.06Å; K406-L482 VanDerWaalsContact N-O 3.11Å
483F66.9Low61.4Low1 Ų168.3 Ų68.30%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-114.6133.3177.7-60.6-87000111.7K406 A408 L447 T448 R450 V469 P472 Q481K406-F483 HydrophobicContact CB-CD1 4Å; K406-F483 HydrophobicContact CB-CE1 4.13Å; K406-F483 HydrophobicContact CD-CE1 4.42Å; K406-F483 CarbonylContact O-C 3.46Å; K406-F483 WeakPolarHBondContact O-CA 3.15Å; A408-F483 HydrophobicContact CB-CB 4.25Å; L447-F483 WeakPolarHBondContact CA-O 3.5Å; T448-F483 PolarHBondContact N-O 3.21Å; T448-F483 PolarHBondContact O-N 2.9Å; R450-F483 HydrophobicContact CB-CE2 3.92Å; R450-F483 HydrophobicContact CG-CE2 4.12Å; V469-F483 HydrophobicContact CB-CD2 4.35Å; V469-F483 HydrophobicContact CB-CG 4.44Å; V469-F483 HydrophobicContact CG1-CD1 4.06Å; V469-F483 HydrophobicContact CG1-CD2 4.43Å; V469-F483 HydrophobicContact CG1-CE1 4.34Å; V469-F483 HydrophobicContact CG1-CG 4.11Å; V469-F483 HydrophobicContact CG2-CB 4.18Å; V469-F483 HydrophobicContact CG2-CD2 4.15Å; V469-F483 HydrophobicContact CG2-CG 4.17Å; P472-F483 HydrophobicContact CG-CE1 3.96Å; Q481-F483 HydrophobicContact CG-CE2 4.25Å; Q481-F483 HydrophobicContact CG-CZ 4.06Å
484L69Low61.9Low14 Ų1463 Ų637%0.07335%0.345CS..EExtended strand (participates in β ladder)trans-87.9124.6174.1-17868000110.4P247 K406 A408 C446 L447 A486P247-L484 HydrophobicContact CG-CD1 4.48Å; K406-L484 PolarHBondContact O-N 3.28Å; A408-L484 PolarHBondContact N-O 3.3Å; C446-L484 HydrophobicContact CB-CD1 4.17Å; L447-L484 HydrophobicContact CD2-CB 4.02Å; L447-L484 HydrophobicContact CD2-CD1 3.85Å; L447-L484 HydrophobicContact CG-CD1 4.45Å; L484-A486 PolarHBondContact O-N 2.79Å
485L67.1Low62.6Low2 Ų259.6 Ų59.61%0.0132%0.322CS..  trans-87.393.9172.8-58.3-179.8000109.6A408 I411 L436 C446 T448 L467 L490A408-L485 HydrophobicContact CB-CD2 4.01Å; I411-L485 HydrophobicContact CD1-CD2 3.25Å; I411-L485 HydrophobicContact CG1-CD2 4.39Å; L436-L485 HydrophobicContact CD1-CB 3.68Å; L436-L485 HydrophobicContact CD1-CD1 4.22Å; C446-L485 WeakPolarHBondContact O-CB 3.33Å; C446-L485 PolarHBondContact O-N 3.3Å; T448-L485 HydrophobicContact CG2-CD1 3.63Å; T448-L485 HydrophobicContact CG2-CG 4.28Å; L467-L485 HydrophobicContact CD1-CD1 4.07Å; L485-L490 HydrophobicContact CB-CD1 4.08Å; L485-L490 HydrophobicContact CD2-CD1 3.9Å
486A66.9Low63.7Low6 Ų658 Ų585%0.0531%0.31CS..  trans-91.5121.9178.500000110.9V407 L484 T488 V489 L490V407-A486 HydrophobicContact CG1-CB 4.13Å; L484-A486 PolarHBondContact O-N 2.79Å; A486-T488 PolarHBondContact O-N 3.02Å; A486-T488 VanDerWaalsContact O-N 3.14Å; A486-V489 HydrophobicContact CB-CB 4.37Å; A486-V489 HydrophobicContact CB-CG2 4.1Å; A486-V489 PolarHBondContact O-N 3.32Å; A486-L490 PolarHBondContact O-N 3.49Å
487P60Low64.8Low46 Ų4651.7 Ų51.730%0.29928%0.278SS..THydrogen-bonded Turntrans-64.3-17.3178.622.5-30.5000113.4L436L436-P487 HydrophobicContact CD2-CB 4.1Å; L436-P487 HydrophobicContact CG-CB 4.5Å
488T58.5Low65.4Low110 Ų11051.9 Ų51.968%0.67528%0.279SS*.THydrogen-bonded Turntrans-76.6-19.1174.142.20000114.1A486A486-T488 PolarHBondContact O-N 3.02Å; A486-T488 VanDerWaalsContact O-N 3.14Å
489V63.8Low65.7Low62 Ų6255.9 Ų55.938%0.37629%0.285SS..THydrogen-bonded Turntrans-108.8-28.6-174.7-178.10000112V407 A486 N494V407-V489 HydrophobicContact CG1-CB 4.46Å; V407-V489 HydrophobicContact CG1-CG1 4.48Å; V407-V489 HydrophobicContact CG1-CG2 4.23Å; A486-V489 HydrophobicContact CB-CB 4.37Å; A486-V489 HydrophobicContact CB-CG2 4.1Å; A486-V489 PolarHBondContact O-N 3.32Å; V489-N494 PolarHBondContact O-ND2 3.34Å
490L67.2Low65.4Low3 Ų358.5 Ų58.52%0.01629%0.29CS..  trans-92.9101.2-179.3-67.2165.5000110.8I411 L436 L485 A486I411-L490 HydrophobicContact CD1-CD1 3.5Å; I411-L490 HydrophobicContact CD1-CD2 3.52Å; I411-L490 HydrophobicContact CD1-CG 4.16Å; I411-L490 HydrophobicContact CG1-CD2 3.9Å; L436-L490 HydrophobicContact CD2-CD1 4.15Å; L485-L490 HydrophobicContact CB-CD1 4.08Å; L485-L490 HydrophobicContact CD2-CD1 3.9Å; A486-L490 PolarHBondContact O-N 3.49Å
491Q64.5Low65.1Low121 Ų12159.2 Ų59.257%0.56530%0.295SS*.  trans-100.1165.6170.6-62.1-176.91.900110.2E493 N494Q491-E493 PolarHBondContact O-N 3.5Å; Q491-E493 VanDerWaalsContact O-N 3.07Å; Q491-N494 WeakPolarHBondContact O-CB 3.41Å; Q491-N494 PolarHBondContact O-N 3.26Å
492K64.6Low64.3Low92 Ų9262 Ų6240%0.431%0.31SS..G310 helixtrans-49-38.2-179.3-70.5-172175.6-168.80113.1T430 L433 N494 I495T430-K492 VanDerWaalsContact CG2-CE 3.43Å; T430-K492 VanDerWaalsContact CG2-NZ 3.26Å; L433-K492 HydrophobicContact CD1-CG 3.82Å; K492-N494 PolarHBondContact O-N 2.86Å; K492-I495 PolarHBondContact O-N 3.18Å
493E62.8Low63.2Low176 Ų17668 Ų6882%0.82235%0.347SS*.G310 helixtrans-64.8-21.2179.1-59.2177.6-17200114.3Q491Q491-E493 PolarHBondContact O-N 3.5Å; Q491-E493 VanDerWaalsContact O-N 3.07Å
494N67.5Low62Low56 Ų5673.6 Ų73.630%0.29937%0.373SS..G310 helixtrans-93.11.4-178.7-65.9-30000113G410 I411 V489 Q491 K492G410-N494 WeakPolarHBondContact CA-O 3.08Å; I411-N494 PolarHBondContact N-O 2.95Å; V489-N494 PolarHBondContact O-ND2 3.34Å; Q491-N494 WeakPolarHBondContact O-CB 3.41Å; Q491-N494 PolarHBondContact O-N 3.26Å; K492-N494 PolarHBondContact O-N 2.86Å
495I73.4Confident60.3Low6 Ų678.7 Ų78.73%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-113.2111.1-177.1-55.2171.7000109.3I411 L413 Q429 F432 L433 K492I411-I495 WeakPolarHBondContact O-CA 3.41Å; L413-I495 HydrophobicContact CD1-CG2 3.73Å; L413-I495 HydrophobicContact CG-CG2 4.14Å; Q429-I495 HydrophobicContact CG-CB 4.39Å; Q429-I495 HydrophobicContact CG-CG2 4.09Å; Q429-I495 PolarHBondContact NE2-O 3.33Å; F432-I495 HydrophobicContact CD1-CD1 3.92Å; F432-I495 HydrophobicContact CE1-CD1 4.29Å; L433-I495 HydrophobicContact CD1-CD1 4.42Å; L433-I495 HydrophobicContact CD2-CD1 3.97Å; L433-I495 HydrophobicContact CG-CD1 4.06Å; K492-I495 PolarHBondContact O-N 3.18Å
496Q72.4Confident58.5Low102 Ų10282.5 Ų82.548%0.47744%0.439SS..EExtended strand (participates in β ladder)trans-92.8122.7174-67.8-177.5-6.700110.1I411 R412 L413 L470I411-Q496 PolarHBondContact O-N 3.02Å; R412-Q496 CarbonylContact C-O 3.48Å; R412-Q496 WeakPolarHBondContact CA-O 3.44Å; R412-Q496 HydrophobicContact CB-CB 4.23Å; R412-Q496 HydrophobicContact CG-CB 4.37Å; L413-Q496 PolarHBondContact N-O 3.44Å; L470-Q496 HydrophobicContact CD1-CG 4.42Å; L470-Q496 VanDerWaalsContact CD1-OE1 3.27Å
497V73.3Confident57Low32 Ų3287.6 Ų87.619%0.19447%0.471CS..EExtended strand (participates in β ladder)trans-98.5121.9171.6-178.30000107.8I428 Q429I428-V497 HydrophobicContact CD1-CG1 4.42Å; I428-V497 HydrophobicContact CG2-CG2 4.5Å; Q429-V497 HydrophobicContact CG-CG2 3.82Å
498D69Low55.4Low43 Ų4394.8 Ų94.823%0.2350%0.498CS..  trans-113.4118.9178179.110.3000109.1R412 L413 Q414 P415 Q500R412-D498 HydrophobicContact CG-CB 4.38Å; L413-D498 PolarHBondContact O-N 3.39Å; Q414-D498 HydrophobicContact CG-CB 3.71Å; Q414-D498 PolarHBondContact NE2-OD2 3Å; P415-D498 WeakPolarHBondContact CD-O 3.49Å; D498-Q500 VanDerWaalsContact C-N 3.28Å; D498-Q500 PolarHBondContact O-N 3.37Å; D498-Q500 PolarHBondContact OD1-N 2.9Å
499R66Low53.9Low151 Ų15194.2 Ų94.257%0.5750%0.504SS*.  trans-78-9.5-173.5-65.1-178.1176.6-154.3-9.2113.3D423 D425 T501D423-R499 PolarHBondContact O-NH2 2.91Å; D425-R499 IonicContact OD1-CZ 3.24Å; D425-R499 VanDerWaalsContact OD1-CZ 3.24Å; D425-R499 IonicContact OD1-NE 2.87Å; D425-R499 PolarHBondContact OD1-NE 3.07Å; D425-R499 IonicContact OD1-NH2 2.75Å; D425-R499 PolarHBondContact OD1-NH2 2.89Å; D425-R499 IonicContact OD2-NE 3.6Å; D425-R499 IonicContact OD2-NH2 3.72Å; R499-T501 PolarHBondContact O-N 3.28Å
500Q51.4Low52.3Low148 Ų14898.8 Ų98.869%0.69252%0.521SS*.SBendtrans-73.9121.1177.9-63.5-174.4-3.400110.4D498D498-Q500 VanDerWaalsContact C-N 3.28Å; D498-Q500 PolarHBondContact O-N 3.37Å; D498-Q500 PolarHBondContact OD1-N 2.9Å
501T49Very low50.5Low55 Ų55104.6 Ų104.634%0.33756%0.559SS.*  trans-64.3137.4173.152.20000110.1P418 R499 V503P418-T501 HydrophobicContact CB-CG2 4.04Å; R499-T501 PolarHBondContact O-N 3.28Å; T501-V503 PolarHBondContact O-N 2.87Å
502I52.6Low48.7Very low75 Ų75107.4 Ų107.439%0.38557%0.572SS.*  trans-62.1106.2170-63170.7000107.7S466 Q504S466-I502 WeakPolarHBondContact OG-CD1 3.37Å; I502-Q504 VanDerWaalsContact C-N 3.27Å; I502-Q504 HydrophobicContact CG2-CG 4.32Å; I502-Q504 PolarHBondContact O-N 3.25Å
503V41.8Very low47.2Very low128 Ų128107 Ų10778%0.77659%0.587SS**  trans-66.694.7164.6179.70000105.8T501T501-V503 PolarHBondContact O-N 2.87Å
504Q41.8Very low45.7Very low117 Ų117104.3 Ų104.355%0.54758%0.584SS.*PPolyproline II helixtrans-60130.8167.8-69.5-176.42.600106.8I502 A506I502-Q504 VanDerWaalsContact C-N 3.27Å; I502-Q504 HydrophobicContact CG2-CG 4.32Å; I502-Q504 PolarHBondContact O-N 3.25Å; Q504-A506 PolarHBondContact O-N 2.92Å
505P31.9Very low44.4Very low121 Ų121110 Ų11079%0.78661%0.609SS**PPolyproline II helixtrans-55.4121.4165.415.9-18000106.3
506A29.3Very low43.1Very low83 Ų83113.3 Ų113.369%0.68663%0.625SS**PPolyproline II helixtrans-46.6133.8173.300000107.6Q504 K508Q504-A506 PolarHBondContact O-N 2.92Å; A506-K508 PolarHBondContact O-N 3.45Å
507P35.5Very low42Very low113 Ų113117.5 Ų117.573%0.73465%0.645SS**PPolyproline II helixtrans-49.6124178.420.6-30.9000106.9A509P507-A509 VanDerWaalsContact C-N 3.29Å; P507-A509 PolarHBondContact O-N 3.03Å
508K26.3Very low41.4Very low196 Ų196116.2 Ų116.285%0.85264%0.637SS**  trans-57.2108.8164.7-77.9-180178.8174.80103.9A506 E510A506-K508 PolarHBondContact O-N 3.45Å; K508-E510 PolarHBondContact O-N 3.25Å
509A28.7Very low41Very low98 Ų98115.7 Ų115.781%0.8164%0.635SS**  trans-62.782.8168.600000106.6P507P507-A509 VanDerWaalsContact C-N 3.29Å; P507-A509 PolarHBondContact O-N 3.03Å
510E29.3Very low41Very low158 Ų158110.3 Ų110.374%0.73862%0.621SS**  trans-57.2141.6148.8-67.6-170.2169.200106K508 E512K508-E510 PolarHBondContact O-N 3.25Å; E510-E512 PolarHBondContact O-N 2.9Å
511P29.1Very low41.5Very low125 Ų125104.8 Ų104.881%0.81260%0.596SS**  trans-55.7114.1-176.38.4-7.3000107.6A513P511-A513 PolarHBondContact O-N 3.35Å
512E27.3Very low42Very low181 Ų181109.9 Ų109.985%0.84662%0.616SS**  trans-48114172-74.3174.6164.400106.4E510 P514E510-E512 PolarHBondContact O-N 2.9Å; E512-P514 VanDerWaalsContact O-N 3.17Å
513A32.2Very low42.4Very low84 Ų84109 Ų10969%0.69461%0.612SS**  trans-55.3125.9165.800000105.2P511 E515P511-A513 PolarHBondContact O-N 3.35Å; A513-E515 PolarHBondContact O-N 3.15Å
514P33.1Very low43.8Very low119 Ų119104.7 Ų104.777%0.77358%0.583SS**  trans-54.4113.4-163.520.1-32.1000108.8E512 M516E512-P514 VanDerWaalsContact O-N 3.17Å; P514-M516 VanDerWaalsContact C-N 3.31Å; P514-M516 PolarHBondContact O-N 3.15Å
515E38.2Very low45Very low175 Ų17599.4 Ų99.482%0.81856%0.56SS**  trans-57.6107.6165.5-79.7-165.7160.800106A513 E517A513-E515 PolarHBondContact O-N 3.15Å; E515-E517 VanDerWaalsContact C-N 3.33Å; E515-E517 PolarHBondContact O-N 2.85Å
516M46.1Very low46.9Very low76 Ų7694.8 Ų94.837%0.37453%0.534SS..  trans-69.896.1-175-160.7173.747.500106.2P514 L518 V594P514-M516 VanDerWaalsContact C-N 3.31Å; P514-M516 PolarHBondContact O-N 3.15Å; M516-L518 HydrophobicContact CE-CD1 4.25Å; M516-L518 HydrophobicContact CE-CD2 4.06Å; M516-L518 HydrophobicContact CE-CG 4.27Å; M516-L518 HydrophobicContact CG-CD2 4.39Å; M516-L518 PolarHBondContact O-N 2.97Å; M516-V594 HydrophobicContact CE-CB 4.06Å; M516-V594 HydrophobicContact CE-CG2 3.49Å; M516-V594 VanDerWaalsContact CE-CG2 3.49Å; M516-V594 HydrophobicContact SD-CB 3.9Å; M516-V594 HydrophobicContact SD-CG2 3.89Å
517E50.8Low49.4Very low189 Ų18992.1 Ų92.188%0.88351%0.508SS*.  trans-62.582.6174.5-73.8-171.7167.100109.2E515E515-E517 VanDerWaalsContact C-N 3.33Å; E515-E517 PolarHBondContact O-N 2.85Å
518L59.4Low51.6Low6 Ų691.1 Ų91.13%0.03150%0.497CS..PPolyproline II helixtrans-70.6139.1175-66165.6000108.6M516 R578 R582M516-L518 HydrophobicContact CE-CD1 4.25Å; M516-L518 HydrophobicContact CE-CD2 4.06Å; M516-L518 HydrophobicContact CE-CG 4.27Å; M516-L518 HydrophobicContact CG-CD2 4.39Å; M516-L518 PolarHBondContact O-N 2.97Å; L518-R578 HydrophobicContact CD2-CB 3.68Å; L518-R578 HydrophobicContact CD2-CG 3.87Å; L518-R582 HydrophobicContact CB-CB 3.74Å; L518-R582 HydrophobicContact CB-CG 4.28Å; L518-R582 HydrophobicContact CD1-CB 4.19Å; L518-R582 WeakPolarHBondContact O-CD 3.49Å; L518-R582 PolarHBondContact O-NH1 3.41Å
519P61.4Low54.5Low31 Ų3187.2 Ų87.220%0.20149%0.485CS..PPolyproline II helixtrans-68.2142.9179.825.9-32.1000111.9L523 R578 A579P519-L523 HydrophobicContact CB-CD1 3.95Å; P519-R578 HydrophobicContact CG-CB 4.3Å; P519-A579 HydrophobicContact CG-CB 4.27Å; P519-A579 WeakPolarHBondContact O-CA 3.25Å; P519-A579 WeakPolarHBondContact O-CB 3.47Å
520S65.3Low57.2Low38 Ų3885 Ų8527%0.26646%0.459SS..PPolyproline II helixtrans-73.9151172.463.80000112.2Q522 L523S520-Q522 PolarHBondContact O-N 2.9Å; S520-L523 WeakPolarHBondContact O-CB 3.5Å; S520-L523 WeakPolarHBondContact O-CD1 3.48Å; S520-L523 PolarHBondContact O-N 3.01Å; S520-L523 WeakPolarHBondContact OG-CD1 3.25Å
521L61.6Low59.9Low32 Ų3278 Ų7817%0.16843%0.427CS..G310 helixtrans-68-20.2-178.6-75.3172.5000114.2L523 F524 I531 A579 K583L521-L523 PolarHBondContact O-N 2.66Å; L521-L523 VanDerWaalsContact O-N 3.09Å; L521-F524 HydrophobicContact CD2-CD2 4.46Å; L521-F524 PolarHBondContact O-N 2.96Å; L521-I531 HydrophobicContact CD1-CG2 3.9Å; L521-I531 HydrophobicContact CD2-CD1 4.13Å; L521-I531 HydrophobicContact CD2-CG1 4.22Å; L521-I531 HydrophobicContact CD2-CG2 3.88Å; L521-I531 HydrophobicContact CG-CG2 4.48Å; L521-A579 HydrophobicContact CD2-CB 3.52Å; L521-A579 HydrophobicContact CG-CB 4.14Å; L521-K583 HydrophobicContact CD1-CB 3.47Å; L521-K583 VanDerWaalsContact CD1-CB 3.47Å; L521-K583 HydrophobicContact CD1-CD 3.27Å; L521-K583 HydrophobicContact CD1-CG 3.45Å; L521-K583 VanDerWaalsContact CD1-CG 3.45Å; L521-K583 HydrophobicContact CG-CB 4.31Å
522Q60.3Low62.7Low162 Ų16277.4 Ų77.476%0.75741%0.412SS*.G310 helixtrans-66.6-8.9177-61.8-179.8-0.700113.3S520S520-Q522 PolarHBondContact O-N 2.9Å
523L60.8Low65.6Low58 Ų5872.1 Ų72.130%0.30439%0.392SS..G310 helixtrans-83.8-15.1179.1-72153.3000113.6P519 S520 L521 R723P519-L523 HydrophobicContact CB-CD1 3.95Å; S520-L523 WeakPolarHBondContact O-CB 3.5Å; S520-L523 WeakPolarHBondContact O-CD1 3.48Å; S520-L523 PolarHBondContact O-N 3.01Å; S520-L523 WeakPolarHBondContact OG-CD1 3.25Å; L521-L523 PolarHBondContact O-N 2.66Å; L521-L523 VanDerWaalsContact O-N 3.09Å; L523-R723 HydrophobicContact CD2-CB 4.2Å; L523-R723 HydrophobicContact CD2-CG 3.76Å
524F71.7Confident68.3Low36 Ų3668.1 Ų68.116%0.15836%0.359CS..  trans-93.9146.7-178.3-61.2-88.7000110.9L521 I531 S575 A579L521-F524 HydrophobicContact CD2-CD2 4.46Å; L521-F524 PolarHBondContact O-N 2.96Å; F524-I531 HydrophobicContact CB-CD1 4.13Å; F524-S575 VanDerWaalsContact CZ-C 3.46Å; F524-S575 WeakPolarHBondContact CZ-O 3.47Å; F524-A579 HydrophobicContact CD2-CB 4.22Å; F524-A579 HydrophobicContact CE2-CB 3.34Å; F524-A579 HydrophobicContact CZ-CB 3.91Å
525G66.8Low70.9Confident7 Ų763.9 Ų63.97%0.07233%0.328CS..  trans-125.1140.7176.600000110.5I527 I716G525-I527 VanDerWaalsContact C-N 3.27Å; G525-I527 PolarHBondContact O-N 3.22Å; G525-I716 VanDerWaalsContact O-CG1 3.3Å; G525-I716 WeakPolarHBondContact O-CG1 3.44Å
526G72.1Confident73.3Confident24 Ų2460.7 Ų60.725%0.24731%0.314CS..SBendtrans75.91172.200000116.5Q712G526-Q712 PolarHBondContact O-NE2 3.06Å
527I81.5Confident75.3Confident26 Ų2659.1 Ų59.113%0.13331%0.305CS..  trans-117.520.8-175.1-55.7173.8000111.6G525 D529 L530 I531G525-I527 VanDerWaalsContact C-N 3.27Å; G525-I527 PolarHBondContact O-N 3.22Å; I527-D529 VanDerWaalsContact C-N 3.28Å; I527-D529 PolarHBondContact O-N 2.84Å; I527-L530 HydrophobicContact CG2-CB 3.67Å; I527-L530 HydrophobicContact CG2-CD1 3.82Å; I527-L530 HydrophobicContact CG2-CG 4.03Å; I527-L530 PolarHBondContact O-N 2.68Å; I527-I531 WeakPolarHBondContact O-CG1 3.34Å; I527-I531 PolarHBondContact O-N 3.28Å
528D82.6Confident77Confident92 Ų9250.1 Ų50.149%0.49226%0.263SS..Hα-helixtrans-61.5-34.7-172.1-62.4-40.2000113.2I531 K532D528-I531 PolarHBondContact O-N 3Å; D528-K532 VanDerWaalsContact O-CG 3.31Å; D528-K532 WeakPolarHBondContact O-CG 3.28Å; D528-K532 PolarHBondContact O-N 3.29Å
529D85.3Confident78.3Confident114 Ų11450.9 Ų50.961%0.6127%0.268SS*.Hα-helixtrans-71.5-40.4-179.9-64.6-24.7000112.1I527 I531 K532 T533I527-D529 VanDerWaalsContact C-N 3.28Å; I527-D529 PolarHBondContact O-N 2.84Å; D529-I531 VanDerWaalsContact C-N 3.3Å; D529-I531 PolarHBondContact O-N 2.79Å; D529-K532 PolarHBondContact O-N 3.42Å; D529-K532 IonicContact OD1-NZ 2.71Å; D529-K532 PolarHBondContact OD1-NZ 3.26Å; D529-T533 WeakPolarHBondContact O-CG2 3.49Å; D529-T533 PolarHBondContact O-N 3.29Å; D529-T533 PolarHBondContact O-OG1 3.47Å
530L85.7Confident79.4Confident52 Ų5253.9 Ų53.927%0.27228%0.28SS..Hα-helixtrans-67.7-33.2174.7-56.7-177000111.6I527 T533 G534 V703 I705I527-L530 HydrophobicContact CG2-CB 3.67Å; I527-L530 HydrophobicContact CG2-CD1 3.82Å; I527-L530 HydrophobicContact CG2-CG 4.03Å; I527-L530 PolarHBondContact O-N 2.68Å; L530-T533 WeakPolarHBondContact CA-OG1 3.31Å; L530-T533 PolarHBondContact O-OG1 3.09Å; L530-T533 VanDerWaalsContact O-OG1 3.14Å; L530-G534 PolarHBondContact O-N 2.98Å; L530-V703 HydrophobicContact CB-CG1 4.09Å; L530-V703 HydrophobicContact CD1-CG1 4.33Å; L530-V703 HydrophobicContact CD2-CG1 4.24Å; L530-V703 HydrophobicContact CG-CG1 4.46Å; L530-I705 HydrophobicContact CD1-CG1 4.25Å
531I87.5Confident80.3Confident12 Ų1252.4 Ų52.46%0.06227%0.27CS..Hα-helixtrans-65-42.7174.5-69.9164.4000110.4L521 F524 I527 D528 D529 F535 L576 L580L521-I531 HydrophobicContact CD1-CG2 3.9Å; L521-I531 HydrophobicContact CD2-CD1 4.13Å; L521-I531 HydrophobicContact CD2-CG1 4.22Å; L521-I531 HydrophobicContact CD2-CG2 3.88Å; L521-I531 HydrophobicContact CG-CG2 4.48Å; F524-I531 HydrophobicContact CB-CD1 4.13Å; I527-I531 WeakPolarHBondContact O-CG1 3.34Å; I527-I531 PolarHBondContact O-N 3.28Å; D528-I531 PolarHBondContact O-N 3Å; D529-I531 VanDerWaalsContact C-N 3.3Å; D529-I531 PolarHBondContact O-N 2.79Å; I531-F535 VanDerWaalsContact O-CB 3.24Å; I531-F535 WeakPolarHBondContact O-CB 3.42Å; I531-F535 PolarHBondContact O-N 2.93Å; I531-L576 HydrophobicContact CD1-CD1 4.23Å; I531-L576 HydrophobicContact CG1-CD1 3.54Å; I531-L580 HydrophobicContact CG2-CD2 4.34Å
532K87.8Confident81.2Confident111 Ų11151.4 Ų51.448%0.48327%0.265SS..Hα-helixtrans-63.6-51.7177.4-71.8168.5-165.7160.10111.2D528 D529 G534 F535 E536D528-K532 VanDerWaalsContact O-CG 3.31Å; D528-K532 WeakPolarHBondContact O-CG 3.28Å; D528-K532 PolarHBondContact O-N 3.29Å; D529-K532 PolarHBondContact O-N 3.42Å; D529-K532 IonicContact OD1-NZ 2.71Å; D529-K532 PolarHBondContact OD1-NZ 3.26Å; K532-G534 PolarHBondContact O-N 3.4Å; K532-F535 PolarHBondContact O-N 2.71Å; K532-E536 WeakPolarHBondContact O-CB 3.25Å; K532-E536 WeakPolarHBondContact O-CG 3.49Å; K532-E536 PolarHBondContact O-N 2.89Å
533T88.1Confident81.8Confident70 Ų7044.9 Ų44.943%0.42924%0.235SC..Hα-helixtrans-62.5-43.3-178.956.60000112D529 L530 F535 E536 F537D529-T533 WeakPolarHBondContact O-CG2 3.49Å; D529-T533 PolarHBondContact O-N 3.29Å; D529-T533 PolarHBondContact O-OG1 3.47Å; L530-T533 WeakPolarHBondContact CA-OG1 3.31Å; L530-T533 PolarHBondContact O-OG1 3.09Å; L530-T533 VanDerWaalsContact O-OG1 3.14Å; T533-F535 PolarHBondContact O-N 3.29Å; T533-E536 PolarHBondContact O-N 2.88Å; T533-F537 WeakPolarHBondContact O-CB 3.3Å; T533-F537 PolarHBondContact O-N 2.79Å
534G87.9Confident82Confident1 Ų143.3 Ų43.31%0.0123%0.233CC..Hα-helixtrans-62.3-42176.100000112.5L530 K532 I538L530-G534 PolarHBondContact O-N 2.98Å; K532-G534 PolarHBondContact O-N 3.4Å; G534-I538 WeakPolarHBondContact O-CD1 3.49Å; G534-I538 VanDerWaalsContact O-CG1 3.29Å; G534-I538 WeakPolarHBondContact O-CG1 3.43Å; G534-I538 PolarHBondContact O-N 2.8Å; G534-I538 VanDerWaalsContact O-N 3.14Å
535F88.6Confident81.9Confident29 Ų2942.5 Ų42.513%0.12723%0.231CC..Hα-helixtrans-72-38.8178.2-177.6-108.7000113.4I531 K532 T533 F537 I538 S539 L580 K583 D587 L588I531-F535 VanDerWaalsContact O-CB 3.24Å; I531-F535 WeakPolarHBondContact O-CB 3.42Å; I531-F535 PolarHBondContact O-N 2.93Å; K532-F535 PolarHBondContact O-N 2.71Å; T533-F535 PolarHBondContact O-N 3.29Å; F535-F537 VanDerWaalsContact C-N 3.31Å; F535-F537 PolarHBondContact O-N 3.04Å; F535-I538 PolarHBondContact O-N 2.93Å; F535-S539 WeakPolarHBondContact O-CB 3.2Å; F535-S539 PolarHBondContact O-N 3.42Å; F535-L580 HydrophobicContact CB-CD2 4.25Å; F535-K583 HydrophobicContact CB-CD 4.43Å; F535-K583 HydrophobicContact CD1-CD 4.15Å; F535-K583 VanDerWaalsContact CD1-NZ 3.34Å; F535-K583 HydrophobicContact CD2-CD 3.47Å; F535-K583 VanDerWaalsContact CD2-CD 3.47Å; F535-K583 HydrophobicContact CD2-CG 4.36Å; F535-K583 HydrophobicContact CE1-CD 4.24Å; F535-K583 HydrophobicContact CE2-CB 4.48Å; F535-K583 HydrophobicContact CE2-CD 3.58Å; F535-K583 HydrophobicContact CE2-CG 4.14Å; F535-K583 HydrophobicContact CG-CD 3.74Å; F535-K583 HydrophobicContact CZ-CD 3.95Å; F535-D587 HydrophobicContact CE2-CB 4.32Å; F535-D587 HydrophobicContact CZ-CB 3.77Å; F535-D587 VanDerWaalsContact CZ-OD2 3.31Å; F535-D587 WeakPolarHBondContact CZ-OD2 3.31Å; F535-L588 HydrophobicContact CE2-CD1 4.25Å; F535-L588 HydrophobicContact CE2-CG 4.47Å; F535-L588 HydrophobicContact CZ-CG 4.46Å
536E87.5Confident81.9Confident109 Ų10946.3 Ų46.351%0.50926%0.255SS..Hα-helixtrans-58.4-45.6173.5-77.8173.6-177.500110.6K532 T533 I538 S539 H540K532-E536 WeakPolarHBondContact O-CB 3.25Å; K532-E536 WeakPolarHBondContact O-CG 3.49Å; K532-E536 PolarHBondContact O-N 2.89Å; T533-E536 PolarHBondContact O-N 2.88Å; E536-I538 PolarHBondContact O-N 3.28Å; E536-S539 WeakPolarHBondContact O-CB 3.33Å; E536-S539 PolarHBondContact O-N 3.42Å; E536-H540 PolarHBondContact O-CD2 3.24Å; E536-H540 VanDerWaalsContact O-CG 3.32Å; E536-H540 PolarHBondContact O-N 3.44Å
537F88.1Confident82Confident42 Ų4250.9 Ų50.918%0.18427%0.273CS..Hα-helixtrans-57.5-49.4174.8-179.7-90000112.3T533 F535 S539 H540 A541 L563 Q700T533-F537 WeakPolarHBondContact O-CB 3.3Å; T533-F537 PolarHBondContact O-N 2.79Å; F535-F537 VanDerWaalsContact C-N 3.31Å; F535-F537 PolarHBondContact O-N 3.04Å; F537-S539 VanDerWaalsContact C-N 3.31Å; F537-S539 PolarHBondContact O-N 3.26Å; F537-H540 PolarHBondContact O-N 3.46Å; F537-A541 WeakPolarHBondContact O-CB 3.48Å; F537-A541 PolarHBondContact O-N 3.38Å; F537-L563 HydrophobicContact CD1-CB 3.82Å; F537-L563 HydrophobicContact CD1-CD1 3.94Å; F537-L563 HydrophobicContact CD1-CD2 4.35Å; F537-L563 HydrophobicContact CD1-CG 4.26Å; F537-L563 HydrophobicContact CE1-CB 3.73Å; F537-L563 HydrophobicContact CE1-CD1 4.37Å; F537-L563 HydrophobicContact CG-CD1 4.19Å; F537-Q700 HydrophobicContact CE2-CB 3.94Å; F537-Q700 HydrophobicContact CZ-CB 3.91Å
538I88Confident81.6Confident0 Ų050.2 Ų50.20%027%0.271CS..Hα-helixtrans-62.2-40.4178.5-63.8161.3000111G534 F535 E536 H540 A541 L542 L563 L580 S584 L588 V626 I677G534-I538 WeakPolarHBondContact O-CD1 3.49Å; G534-I538 VanDerWaalsContact O-CG1 3.29Å; G534-I538 WeakPolarHBondContact O-CG1 3.43Å; G534-I538 PolarHBondContact O-N 2.8Å; G534-I538 VanDerWaalsContact O-N 3.14Å; F535-I538 PolarHBondContact O-N 2.93Å; E536-I538 PolarHBondContact O-N 3.28Å; I538-H540 VanDerWaalsContact C-N 3.33Å; I538-H540 PolarHBondContact O-N 2.89Å; I538-A541 PolarHBondContact O-N 2.92Å; I538-L542 HydrophobicContact CG2-CD1 3.81Å; I538-L542 HydrophobicContact CG2-CG 4.31Å; I538-L542 WeakPolarHBondContact O-CB 3.37Å; I538-L542 WeakPolarHBondContact O-CG 3.24Å; I538-L542 PolarHBondContact O-N 3.01Å; I538-L563 HydrophobicContact CD1-CD2 4.39Å; I538-L563 HydrophobicContact CG1-CD2 4.38Å; I538-L580 HydrophobicContact CD1-CB 4.16Å; I538-S584 WeakPolarHBondContact CG2-OG 3.43Å; I538-L588 HydrophobicContact CG2-CD1 4.24Å; I538-V626 HydrophobicContact CG2-CG2 4.29Å; I538-I677 HydrophobicContact CD1-CD1 3.7Å; I538-I677 HydrophobicContact CG1-CD1 4.37Å
539S85.9Confident81.1Confident22 Ų2251 Ų5115%0.15427%0.267CS..Hα-helixtrans-63-39176.9-1750000112.1F535 E536 F537 L543 G544F535-S539 WeakPolarHBondContact O-CB 3.2Å; F535-S539 PolarHBondContact O-N 3.42Å; E536-S539 WeakPolarHBondContact O-CB 3.33Å; E536-S539 PolarHBondContact O-N 3.42Å; F537-S539 VanDerWaalsContact C-N 3.31Å; F537-S539 PolarHBondContact O-N 3.26Å; S539-L543 PolarHBondContact O-N 3.45Å; S539-G544 WeakPolarHBondContact O-CA 3.45Å; S539-G544 PolarHBondContact O-N 3.45Å
540H84.8Confident80.3Confident94 Ų9452.1 Ų52.144%0.43527%0.268SS..Hα-helixtrans-67.8-44.9174.1-67.5-49.4000112E536 F537 I538 L542 L543 S545E536-H540 PolarHBondContact O-CD2 3.24Å; E536-H540 VanDerWaalsContact O-CG 3.32Å; E536-H540 PolarHBondContact O-N 3.44Å; F537-H540 PolarHBondContact O-N 3.46Å; I538-H540 VanDerWaalsContact C-N 3.33Å; I538-H540 PolarHBondContact O-N 2.89Å; H540-L542 VanDerWaalsContact C-N 3.34Å; H540-L542 PolarHBondContact O-N 3.02Å; H540-L543 PolarHBondContact O-N 3.02Å; H540-S545 PolarHBondContact ND1-OG 3.28Å
541A82.9Confident79.5Confident7 Ų754.8 Ų54.86%0.05828%0.282CS..Hα-helixtrans-64.4-34-179.600000113.5F537 I538 G560 C675F537-A541 WeakPolarHBondContact O-CB 3.48Å; F537-A541 PolarHBondContact O-N 3.38Å; I538-A541 PolarHBondContact O-N 2.92Å; A541-G560 PolarHBondContact O-N 3.43Å; A541-C675 HydrophobicContact CB-CB 4.26Å
542L81.1Confident78.3Confident12 Ų1254.8 Ų54.86%0.06328%0.284CS..THydrogen-bonded Turntrans-91.58.8178.7-64.3-179.8000114.1I538 H540 G544 L588 A590 P624 V626 C675I538-L542 HydrophobicContact CG2-CD1 3.81Å; I538-L542 HydrophobicContact CG2-CG 4.31Å; I538-L542 WeakPolarHBondContact O-CB 3.37Å; I538-L542 WeakPolarHBondContact O-CG 3.24Å; I538-L542 PolarHBondContact O-N 3.01Å; H540-L542 VanDerWaalsContact C-N 3.34Å; H540-L542 PolarHBondContact O-N 3.02Å; L542-G544 PolarHBondContact O-N 2.84Å; L542-L588 HydrophobicContact CD1-CD1 3.96Å; L542-A590 HydrophobicContact CD1-CB 4.05Å; L542-P624 HydrophobicContact CD2-CB 4.23Å; L542-V626 HydrophobicContact CD1-CG2 3.76Å; L542-C675 HydrophobicContact CD2-CB 3.81Å; L542-C675 HydrophobicContact CG-CB 4.08Å
543L72.1Confident77Confident24 Ų2455.2 Ų55.213%0.12630%0.296CS..THydrogen-bonded Turntrans56.835-176.7-51.4180000113.5S539 H540 R549 C552 L673S539-L543 PolarHBondContact O-N 3.45Å; H540-L543 PolarHBondContact O-N 3.02Å; L543-R549 HydrophobicContact CB-CG 3.94Å; L543-R549 WeakPolarHBondContact O-CG 3.45Å; L543-R549 PolarHBondContact O-NE 3.25Å; L543-R549 PolarHBondContact O-NH2 3.49Å; L543-C552 HydrophobicContact CD1-CB 4.33Å; L543-C552 HydrophobicContact CD2-CB 3.58Å; L543-L673 HydrophobicContact CD1-CD2 3.58Å; L543-L673 HydrophobicContact CG-CD2 3.88Å
544G65Low75.4Confident26 Ų2657.2 Ų57.227%0.26831%0.312SS..  trans-66.2-40.9172.800000111.7S539 L542S539-G544 WeakPolarHBondContact O-CA 3.45Å; S539-G544 PolarHBondContact O-N 3.45Å; L542-G544 PolarHBondContact O-N 2.84Å
545S71Confident73.9Confident18 Ų1858.3 Ų58.313%0.12632%0.324CS..SBendtrans-79.7145.1-178.583.10000112.8H540 L547 S548 R549H540-S545 PolarHBondContact ND1-OG 3.28Å; S545-L547 VanDerWaalsContact C-N 3.3Å; S545-L547 PolarHBondContact O-N 2.64Å; S545-S548 PolarHBondContact N-OG 3.34Å; S545-S548 PolarHBondContact O-N 2.73Å; S545-S548 PolarHBondContact O-OG 3.42Å; S545-S548 VanDerWaalsContact OG-CB 3.25Å; S545-S548 WeakPolarHBondContact OG-CB 3.29Å; S545-S548 PolarHBondContact OG-N 3.34Å; S545-S548 VanDerWaalsContact OG-N 3.09Å; S545-S548 PolarHBondContact OG-OG 3.25Å; S545-R549 PolarHBondContact O-N 3.25Å
546P67.1Low72.4Confident88 Ų8865.5 Ų65.557%0.57136%0.358SS*.Hα-helixtrans-63.2-37.8177.824.8-32.9000111.9R549 E550P546-R549 WeakPolarHBondContact O-CB 3.45Å; P546-R549 PolarHBondContact O-N 3.25Å; P546-E550 PolarHBondContact O-N 3.22Å
547L74Confident70.9Confident119 Ų11962.7 Ų62.762%0.62336%0.358SS*.Hα-helixtrans-62.3-44.8176.2-76.1164.8000112.2S545 R549 E550 L551S545-L547 VanDerWaalsContact C-N 3.3Å; S545-L547 PolarHBondContact O-N 2.64Å; L547-R549 VanDerWaalsContact C-N 3.25Å; L547-R549 PolarHBondContact O-N 3.28Å; L547-E550 PolarHBondContact O-N 3.33Å; L547-L551 WeakPolarHBondContact O-CG 3.07Å; L547-L551 PolarHBondContact O-N 2.89Å
548S73.4Confident69.6Low12 Ų1264.9 Ų64.98%0.08437%0.371CS..Hα-helixtrans-61.1-35.8176.650.60000111.8S545 E550 C552S545-S548 PolarHBondContact N-OG 3.34Å; S545-S548 PolarHBondContact O-N 2.73Å; S545-S548 PolarHBondContact O-OG 3.42Å; S545-S548 VanDerWaalsContact OG-CB 3.25Å; S545-S548 WeakPolarHBondContact OG-CB 3.29Å; S545-S548 PolarHBondContact OG-N 3.34Å; S545-S548 VanDerWaalsContact OG-N 3.09Å; S545-S548 PolarHBondContact OG-OG 3.25Å; S548-E550 PolarHBondContact O-N 2.88Å; S548-C552 WeakPolarHBondContact O-CB 3.48Å; S548-C552 PolarHBondContact O-N 3.09Å
549R71.1Confident68.5Low110 Ų11067.8 Ų67.842%0.41538%0.384SS..Hα-helixtrans-65.4-38.4178.2-70.6177-171.7163.39.9112.8L543 S545 P546 L547L543-R549 HydrophobicContact CB-CG 3.94Å; L543-R549 WeakPolarHBondContact O-CG 3.45Å; L543-R549 PolarHBondContact O-NE 3.25Å; L543-R549 PolarHBondContact O-NH2 3.49Å; S545-R549 PolarHBondContact O-N 3.25Å; P546-R549 WeakPolarHBondContact O-CB 3.45Å; P546-R549 PolarHBondContact O-N 3.25Å; L547-R549 VanDerWaalsContact C-N 3.25Å; L547-R549 PolarHBondContact O-N 3.28Å
550E68.8Low67.7Low136 Ų13667.1 Ų67.164%0.63638%0.38SS*.Hα-helixtrans-73-46.9178.2-69.6-173.7169.800111.5P546 L547 S548 C552 T553P546-E550 PolarHBondContact O-N 3.22Å; L547-E550 PolarHBondContact O-N 3.33Å; S548-E550 PolarHBondContact O-N 2.88Å; E550-C552 VanDerWaalsContact C-N 3.28Å; E550-C552 PolarHBondContact O-N 3.47Å; E550-T553 PolarHBondContact O-N 3.3Å; E550-T553 PolarHBondContact O-OG1 3.06Å
551L68.7Low67.3Low108 Ų10863 Ų6357%0.56536%0.364SS*.Hα-helixtrans-64.9-32.7179.7-68.6171.2000112.8L547 T553 S554 G555 L558L547-L551 WeakPolarHBondContact O-CG 3.07Å; L547-L551 PolarHBondContact O-N 2.89Å; L551-T553 PolarHBondContact O-N 3.32Å; L551-S554 PolarHBondContact O-N 2.83Å; L551-G555 PolarHBondContact O-N 3.25Å; L551-L558 HydrophobicContact CB-CD1 3.98Å
552C62.9Low67.5Low13 Ų1362.8 Ų62.89%0.08836%0.362CS..THydrogen-bonded Turntrans-65.4-20.1179.2-173.90000113.8L543 S548 E550 S554 K559L543-C552 HydrophobicContact CD1-CB 4.33Å; L543-C552 HydrophobicContact CD2-CB 3.58Å; S548-C552 WeakPolarHBondContact O-CB 3.48Å; S548-C552 PolarHBondContact O-N 3.09Å; E550-C552 VanDerWaalsContact C-N 3.28Å; E550-C552 PolarHBondContact O-N 3.47Å; C552-S554 PolarHBondContact O-N 3.24Å; C552-K559 WeakPolarHBondContact SG-CE 2.96Å; C552-K559 WeakPolarHBondContact SG-CG 3.17Å
553T59.3Low68Low120 Ų12062.3 Ų62.374%0.73636%0.359SS*.THydrogen-bonded Turntrans-66.8-17.1171.664.20000113.1E550 L551E550-T553 PolarHBondContact O-N 3.3Å; E550-T553 PolarHBondContact O-OG1 3.06Å; L551-T553 PolarHBondContact O-N 3.32Å
554S55.2Low68.9Low111 Ų11161.2 Ų61.278%0.77635%0.353SS*.THydrogen-bonded Turntrans-114.7-7.9-172.5-56.10000114.2L551 C552L551-S554 PolarHBondContact O-N 2.83Å; C552-S554 PolarHBondContact O-N 3.24Å
555G56.5Low70.2Confident25 Ų2560 Ų6026%0.25834%0.34SS..  trans-144.8120.2-17600000114.1L551 G557L551-G555 PolarHBondContact O-N 3.25Å; G555-G557 VanDerWaalsContact C-N 3.3Å; G555-G557 PolarHBondContact O-N 2.99Å
556E56.2Low71.1Confident180 Ų18059.3 Ų59.384%0.84134%0.336SS*.G310 helixtrans-72-17.3-177.6-67.4-176.915500113.8
557G56.3Low72.1Confident49 Ų4955.3 Ų55.351%0.50531%0.31SS..G310 helixtrans-91.41.6179.900000116.2G555G555-G557 VanDerWaalsContact C-N 3.3Å; G555-G557 PolarHBondContact O-N 2.99Å
558L60.6Low72.4Confident89 Ų8952.1 Ų52.147%0.46630%0.301SS..G310 helixtrans-90.8-10.9178.8-70.5169.1000113.1L551L551-L558 HydrophobicContact CB-CD1 3.98Å
559K64.6Low72.7Confident61 Ų6158.1 Ų58.127%0.26533%0.326SS..SBendtrans-94.8117.4178.2-65.7-176.5-175.2174.20109.4C552C552-K559 WeakPolarHBondContact SG-CE 2.96Å; C552-K559 WeakPolarHBondContact SG-CG 3.17Å
560G69.5Low73.1Confident7 Ų753.8 Ų53.87%0.07232%0.315CS..SBendtrans72143.2-175.200000111.7A541 V674A541-G560 PolarHBondContact O-N 3.43Å; G560-V674 WeakPolarHBondContact CA-O 3.32Å
561G77.9Confident73.7Confident9 Ų948 Ų489%0.09329%0.29CS..  trans-169.6152.4-177.500000109.4C675 L676G561-C675 PolarHBondContact O-SG 3.19Å; G561-L676 PolarHBondContact O-N 3.47Å
562A87.2Confident74.5Confident2 Ų244.1 Ų44.12%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-100.2130.7175.900000111.9L676 I678 L698 I699 Q700 G701A562-L676 CarbonylContact C-O 3.58Å; A562-L676 VanDerWaalsContact CA-O 3.23Å; A562-L676 WeakPolarHBondContact CA-O 3.39Å; A562-L676 HydrophobicContact CB-CB 3.9Å; A562-L676 HydrophobicContact CB-CD2 3.96Å; A562-L676 HydrophobicContact CB-CG 4.17Å; A562-I678 HydrophobicContact CB-CD1 4.26Å; A562-L698 WeakPolarHBondContact CB-O 3.27Å; A562-L698 PolarHBondContact N-O 3.3Å; A562-I699 HydrophobicContact CB-CG1 4.4Å; A562-Q700 PolarHBondContact O-N 2.85Å; A562-G701 PolarHBondContact O-N 2.94Å
563L90.6Very high75.7Confident2 Ų244.1 Ų44.11%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-102.7118.1171.9-178.764.8000109.1F537 I538 I565 L676 I677 I678 V703F537-L563 HydrophobicContact CD1-CB 3.82Å; F537-L563 HydrophobicContact CD1-CD1 3.94Å; F537-L563 HydrophobicContact CD1-CD2 4.35Å; F537-L563 HydrophobicContact CD1-CG 4.26Å; F537-L563 HydrophobicContact CE1-CB 3.73Å; F537-L563 HydrophobicContact CE1-CD1 4.37Å; F537-L563 HydrophobicContact CG-CD1 4.19Å; I538-L563 HydrophobicContact CD1-CD2 4.39Å; I538-L563 HydrophobicContact CG1-CD2 4.38Å; L563-I565 HydrophobicContact CG-CG1 4.43Å; L563-L676 PolarHBondContact N-O 2.87Å; L563-I677 WeakPolarHBondContact O-CA 3.36Å; L563-I678 PolarHBondContact O-N 3.21Å; L563-V703 HydrophobicContact CD1-CG2 3.81Å
564L91.4Very high77.1Confident0 Ų039.4 Ų39.40%025%0.246CC..EExtended strand (participates in β ladder)trans-95.8122.2173.9-177.668.3000110.6T566 I678 E683 L686 I699 G701 F702 V703L564-T566 HydrophobicContact CD1-CG2 4.45Å; L564-T566 HydrophobicContact CD2-CG2 3.7Å; L564-T566 HydrophobicContact CG-CG2 3.76Å; L564-I678 WeakPolarHBondContact CA-O 3.32Å; L564-I678 HydrophobicContact CD1-CB 3.87Å; L564-I678 HydrophobicContact CD1-CG2 3.65Å; L564-E683 HydrophobicContact CD2-CG 4.33Å; L564-L686 HydrophobicContact CD1-CD1 3.71Å; L564-L686 HydrophobicContact CD2-CD1 4.14Å; L564-I699 HydrophobicContact CB-CD1 4.25Å; L564-I699 HydrophobicContact CB-CG2 3.52Å; L564-I699 HydrophobicContact CD1-CD1 4.5Å; L564-I699 HydrophobicContact CD2-CD1 4.1Å; L564-G701 PolarHBondContact N-O 2.74Å; L564-F702 HydrophobicContact CB-CD1 4.4Å; L564-F702 HydrophobicContact CD2-CD1 4.08Å; L564-F702 HydrophobicContact CD2-CE1 4.08Å; L564-V703 PolarHBondContact O-N 3.36Å
565I92.6Very high78.7Confident0 Ų036.7 Ų36.70%023%0.228CC..EExtended strand (participates in β ladder)trans-104.3113173.6-57.4173.1000108.7L563 K573 L576 A577 L580 I677 I678 T679 S680 V703 I705L563-I565 HydrophobicContact CG-CG1 4.43Å; I565-K573 HydrophobicContact CG2-CB 4.36Å; I565-K573 HydrophobicContact CG2-CG 4.44Å; I565-L576 HydrophobicContact CG2-CD2 4.32Å; I565-A577 HydrophobicContact CD1-CB 3.94Å; I565-L580 HydrophobicContact CD1-CD1 4.12Å; I565-I677 HydrophobicContact CD1-CG2 3.88Å; I565-I677 HydrophobicContact CG1-CG2 4.5Å; I565-I678 PolarHBondContact N-O 3.4Å; I565-T679 HydrophobicContact CB-CG2 4.27Å; I565-T679 WeakPolarHBondContact O-CA 3.43Å; I565-S680 PolarHBondContact O-N 3.14Å; I565-V703 CarbonylContact C-O 3.57Å; I565-V703 VanDerWaalsContact CA-O 3.31Å; I565-V703 WeakPolarHBondContact CA-O 3.29Å; I565-V703 HydrophobicContact CG1-CB 4.34Å; I565-I705 HydrophobicContact CG2-CD1 3.99Å; I565-I705 HydrophobicContact CG2-CG1 4.23Å
566T89.7Confident80.3Confident4 Ų435.7 Ų35.73%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-107.9161.6-179.858.80000112.4L564 S680 E683 V703 N704 I705L564-T566 HydrophobicContact CD1-CG2 4.45Å; L564-T566 HydrophobicContact CD2-CG2 3.7Å; L564-T566 HydrophobicContact CG-CG2 3.76Å; T566-S680 WeakPolarHBondContact CA-O 3.45Å; T566-E683 HydrophobicContact CG2-CG 3.93Å; T566-V703 PolarHBondContact N-O 2.88Å; T566-N704 WeakPolarHBondContact OG1-CA 3.19Å; T566-N704 WeakPolarHBondContact OG1-CB 3.09Å; T566-N704 PolarHBondContact OG1-OD1 3.25Å; T566-I705 WeakPolarHBondContact O-CB 3.47Å; T566-I705 PolarHBondContact O-N 3.24Å
567G86.9Confident81.9Confident4 Ų427.1 Ų27.14%0.04118%0.176CC..EExtended strand (participates in β ladder)trans154.1166.5175.200000114.1K573 S680 Q681G567-K573 PolarHBondContact O-NZ 3.47Å; G567-S680 PolarHBondContact N-O 3.39Å; G567-Q681 CarbonylContact C-O 3.59Å; G567-Q681 VanDerWaalsContact C-O 3.26Å; G567-Q681 PolarHBondContact N-O 2.91Å; G567-Q681 CarbonylContact O-C 3.58Å; G567-Q681 WeakPolarHBondContact O-CA 3.39Å
568A80.4Confident83.5Confident53 Ų5327.7 Ų27.744%0.43816%0.163SC..  trans-58157.7-178.100000113.7G570 S571 K573A568-G570 PolarHBondContact O-N 3.47Å; A568-S571 WeakPolarHBondContact O-CB 3.46Å; A568-S571 PolarHBondContact O-N 3.48Å; A568-S571 PolarHBondContact O-OG 2.86Å; A568-K573 PolarHBondContact O-NZ 2.9Å
569K80.9Confident84.7Confident138 Ų13823.4 Ų23.460%0.614%0.141SC*.THydrogen-bonded Turntrans-59.5135.3171.9-65.1-179.5-177.6175.70108.9S571 Q681K569-S571 VanDerWaalsContact C-N 3.32Å; K569-S571 PolarHBondContact O-N 3.46Å; K569-Q681 HydrophobicContact CG-CG 4.41Å
570G78.1Confident85.9Confident18 Ų1820.6 Ų20.619%0.18613%0.129CC..THydrogen-bonded Turntrans79.22.9-178.700000116.3A568 G572 Q750A568-G570 PolarHBondContact O-N 3.47Å; G570-G572 PolarHBondContact O-N 3.48Å; G570-Q750 WeakPolarHBondContact O-CB 3.36Å; G570-Q750 PolarHBondContact O-N 2.84Å
571S82Confident86.7Confident15 Ų1520.3 Ų20.311%0.10513%0.125CC..SBendtrans-71.6-12.5175.767.90000114.5A568 K569 K573A568-S571 WeakPolarHBondContact O-CB 3.46Å; A568-S571 PolarHBondContact O-N 3.48Å; A568-S571 PolarHBondContact O-OG 2.86Å; K569-S571 VanDerWaalsContact C-N 3.32Å; K569-S571 PolarHBondContact O-N 3.46Å; S571-K573 WeakPolarHBondContact OG-CG 3.47Å
572G84.9Confident87.1Confident27 Ų2724 Ų2428%0.27814%0.137SC..  trans94.218.9178.900000115.6G570 S574 S575 L576G570-G572 PolarHBondContact O-N 3.48Å; G572-S574 PolarHBondContact O-N 3.33Å; G572-S575 WeakPolarHBondContact O-CA 3.32Å; G572-S575 WeakPolarHBondContact O-CB 3.47Å; G572-S575 PolarHBondContact O-N 2.93Å; G572-L576 PolarHBondContact O-N 3.4Å
573K88.9Confident87Confident13 Ų1326.4 Ų26.46%0.05715%0.147CC..Hα-helixtrans-47.7-54.2178.9-58.9-177.3-70.1-810113.9I565 G567 A568 S571 S575 L576 A577 T679 S680 I705I565-K573 HydrophobicContact CG2-CB 4.36Å; I565-K573 HydrophobicContact CG2-CG 4.44Å; G567-K573 PolarHBondContact O-NZ 3.47Å; A568-K573 PolarHBondContact O-NZ 2.9Å; S571-K573 WeakPolarHBondContact OG-CG 3.47Å; K573-S575 PolarHBondContact O-N 3.24Å; K573-L576 WeakPolarHBondContact O-CB 3.49Å; K573-L576 PolarHBondContact O-N 2.98Å; K573-L576 VanDerWaalsContact O-N 3.14Å; K573-A577 WeakPolarHBondContact O-CB 3.46Å; K573-A577 PolarHBondContact O-N 3.4Å; K573-T679 HydrophobicContact CB-CG2 4.5Å; K573-S680 WeakPolarHBondContact CD-O 3.26Å; K573-S680 WeakPolarHBondContact CE-O 3.49Å; K573-I705 HydrophobicContact CB-CD1 4.44Å; K573-I705 HydrophobicContact CG-CD1 3.91Å
574S89.4Confident86.7Confident20 Ų2026.3 Ų26.314%0.1415%0.146CC..Hα-helixtrans-63.5-31.8-178.7-47.40000112.4G572 R578 D630G572-S574 PolarHBondContact O-N 3.33Å; S574-R578 VanDerWaalsContact CB-NH1 3.26Å; S574-R578 WeakPolarHBondContact O-CB 3.12Å; S574-R578 VanDerWaalsContact O-CG 3.25Å; S574-R578 WeakPolarHBondContact O-CG 3.47Å; S574-R578 PolarHBondContact O-N 3.21Å; S574-R578 VanDerWaalsContact O-N 3.15Å; S574-R578 PolarHBondContact O-NH1 3.39Å; S574-D630 WeakPolarHBondContact CB-OD1 3.43Å; S574-D630 VanDerWaalsContact CB-OD2 3.3Å; S574-D630 WeakPolarHBondContact CB-OD2 3.42Å; S574-D630 PolarHBondContact OG-OD1 3.21Å; S574-D630 PolarHBondContact OG-OD2 2.67Å
575S88.2Confident86.3Confident55 Ų5530.2 Ų30.239%0.38516%0.161SC..Hα-helixtrans-71.1-44174.8-56.80000110.9F524 G572 K573 A579F524-S575 VanDerWaalsContact CZ-C 3.46Å; F524-S575 WeakPolarHBondContact CZ-O 3.47Å; G572-S575 WeakPolarHBondContact O-CA 3.32Å; G572-S575 WeakPolarHBondContact O-CB 3.47Å; G572-S575 PolarHBondContact O-N 2.93Å; K573-S575 PolarHBondContact O-N 3.24Å; S575-A579 WeakPolarHBondContact O-CB 3.3Å; S575-A579 PolarHBondContact O-N 2.92Å
576L89.3Confident85.7Confident3 Ų335.6 Ų35.62%0.01619%0.186CC..Hα-helixtrans-60.8-47.7175.617866.4000111.2I531 I565 G572 K573 R578 A579 L580 I705I531-L576 HydrophobicContact CD1-CD1 4.23Å; I531-L576 HydrophobicContact CG1-CD1 3.54Å; I565-L576 HydrophobicContact CG2-CD2 4.32Å; G572-L576 PolarHBondContact O-N 3.4Å; K573-L576 WeakPolarHBondContact O-CB 3.49Å; K573-L576 PolarHBondContact O-N 2.98Å; K573-L576 VanDerWaalsContact O-N 3.14Å; L576-R578 PolarHBondContact O-N 3.24Å; L576-A579 PolarHBondContact O-N 3.5Å; L576-L580 HydrophobicContact CG-CD1 4.35Å; L576-L580 WeakPolarHBondContact O-CG 3.46Å; L576-L580 PolarHBondContact O-N 3.49Å; L576-I705 HydrophobicContact CD2-CD1 3.68Å; L576-I705 HydrophobicContact CD2-CG1 4.3Å
577A89.9Confident85.2Confident0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-62.4-43.9-179.200000112.2I565 K573 A579 L580 C581 L628 I677 T679I565-A577 HydrophobicContact CD1-CB 3.94Å; K573-A577 WeakPolarHBondContact O-CB 3.46Å; K573-A577 PolarHBondContact O-N 3.4Å; A577-A579 VanDerWaalsContact C-N 3.32Å; A577-A579 PolarHBondContact O-N 3.17Å; A577-L580 PolarHBondContact O-N 3.48Å; A577-C581 PolarHBondContact O-N 3.45Å; A577-C581 PolarHBondContact O-SG 3.41Å; A577-L628 HydrophobicContact CB-CD1 3.62Å; A577-L628 HydrophobicContact CB-CD2 4.03Å; A577-I677 HydrophobicContact CB-CG2 4.19Å; A577-T679 HydrophobicContact CB-CG2 3.6Å
578R90.1Very high84.6Confident61 Ų6141.2 Ų41.223%0.2322%0.215CC..Hα-helixtrans-63.1-37174.3-75.2-175.3-172.393.92.6112.4L518 P519 S574 L576 C581 R582 D596 L628 D630L518-R578 HydrophobicContact CD2-CB 3.68Å; L518-R578 HydrophobicContact CD2-CG 3.87Å; P519-R578 HydrophobicContact CG-CB 4.3Å; S574-R578 VanDerWaalsContact CB-NH1 3.26Å; S574-R578 WeakPolarHBondContact O-CB 3.12Å; S574-R578 VanDerWaalsContact O-CG 3.25Å; S574-R578 WeakPolarHBondContact O-CG 3.47Å; S574-R578 PolarHBondContact O-N 3.21Å; S574-R578 VanDerWaalsContact O-N 3.15Å; S574-R578 PolarHBondContact O-NH1 3.39Å; L576-R578 PolarHBondContact O-N 3.24Å; R578-C581 WeakPolarHBondContact O-CB 3.08Å; R578-C581 PolarHBondContact O-N 3.44Å; R578-R582 PolarHBondContact O-N 3.21Å; R578-D596 IonicContact NH2-OD1 3.43Å; R578-D596 PolarHBondContact NH2-OD1 3.44Å; R578-L628 HydrophobicContact CG-CD2 3.87Å; R578-D630 IonicContact CZ-OD2 2.83Å; R578-D630 VanDerWaalsContact CZ-OD2 3.27Å; R578-D630 IonicContact NH1-OD2 3.11Å; R578-D630 PolarHBondContact NH1-OD2 2.96Å; R578-D630 IonicContact NH2-OD2 3.06Å; R578-D630 PolarHBondContact NH2-OD2 3.21Å
579A86.9Confident84.4Confident0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-70.9-38.2177.600000112.9P519 L521 F524 S575 L576 A577 C581 R582 K583P519-A579 HydrophobicContact CG-CB 4.27Å; P519-A579 WeakPolarHBondContact O-CA 3.25Å; P519-A579 WeakPolarHBondContact O-CB 3.47Å; L521-A579 HydrophobicContact CD2-CB 3.52Å; L521-A579 HydrophobicContact CG-CB 4.14Å; F524-A579 HydrophobicContact CD2-CB 4.22Å; F524-A579 HydrophobicContact CE2-CB 3.34Å; F524-A579 HydrophobicContact CZ-CB 3.91Å; S575-A579 WeakPolarHBondContact O-CB 3.3Å; S575-A579 PolarHBondContact O-N 2.92Å; L576-A579 PolarHBondContact O-N 3.5Å; A577-A579 VanDerWaalsContact C-N 3.32Å; A577-A579 PolarHBondContact O-N 3.17Å; A579-C581 VanDerWaalsContact C-N 3.33Å; A579-R582 PolarHBondContact O-N 2.84Å; A579-K583 PolarHBondContact O-N 3.15Å
580L88.1Confident84.5Confident2 Ų233.1 Ų33.11%0.0117%0.17CC..Hα-helixtrans-60.4-44170.4-73.5173.2000110.9I531 F535 I538 I565 L576 A577 R582 K583 S584I531-L580 HydrophobicContact CG2-CD2 4.34Å; F535-L580 HydrophobicContact CB-CD2 4.25Å; I538-L580 HydrophobicContact CD1-CB 4.16Å; I565-L580 HydrophobicContact CD1-CD1 4.12Å; L576-L580 HydrophobicContact CG-CD1 4.35Å; L576-L580 WeakPolarHBondContact O-CG 3.46Å; L576-L580 PolarHBondContact O-N 3.49Å; A577-L580 PolarHBondContact O-N 3.48Å; L580-R582 VanDerWaalsContact C-N 3.33Å; L580-R582 PolarHBondContact O-N 3.27Å; L580-K583 PolarHBondContact O-N 3.45Å; L580-S584 PolarHBondContact O-N 3.14Å; L580-S584 PolarHBondContact O-OG 2.93Å; L580-S584 VanDerWaalsContact O-OG 3.07Å
581C87.8Confident84.8Confident0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-59.6-42.2175.7-66.40000112.5A577 R578 A579 S584 R585 V592A577-C581 PolarHBondContact O-N 3.45Å; A577-C581 PolarHBondContact O-SG 3.41Å; R578-C581 WeakPolarHBondContact O-CB 3.08Å; R578-C581 PolarHBondContact O-N 3.44Å; A579-C581 VanDerWaalsContact C-N 3.33Å; C581-S584 PolarHBondContact O-N 2.83Å; C581-R585 PolarHBondContact O-N 3.36Å; C581-V592 HydrophobicContact CB-CG1 3.66Å; C581-V592 HydrophobicContact CB-CG2 4.21Å; C581-V592 WeakPolarHBondContact O-CG2 3.28Å
582R85.8Confident85Confident88 Ų8833.6 Ų33.633%0.33217%0.167SC..Hα-helixtrans-61.3-46.6175.1-178.3167.4176.71625.8111.7L518 R578 A579 L580 S584 R585 E586L518-R582 HydrophobicContact CB-CB 3.74Å; L518-R582 HydrophobicContact CB-CG 4.28Å; L518-R582 HydrophobicContact CD1-CB 4.19Å; L518-R582 WeakPolarHBondContact O-CD 3.49Å; L518-R582 PolarHBondContact O-NH1 3.41Å; R578-R582 PolarHBondContact O-N 3.21Å; A579-R582 PolarHBondContact O-N 2.84Å; L580-R582 VanDerWaalsContact C-N 3.33Å; L580-R582 PolarHBondContact O-N 3.27Å; R582-S584 VanDerWaalsContact C-N 3.3Å; R582-S584 PolarHBondContact O-N 3.02Å; R582-R585 WeakPolarHBondContact O-CB 3.24Å; R582-R585 PolarHBondContact O-N 3.31Å; R582-R585 VanDerWaalsContact O-N 3.1Å; R582-E586 WeakPolarHBondContact CG-OE1 3.12Å; R582-E586 IonicContact CZ-OE1 3.98Å; R582-E586 IonicContact NE-OE1 2.91Å; R582-E586 PolarHBondContact NE-OE1 3.3Å; R582-E586 IonicContact NH2-OE1 3.61Å; R582-E586 PolarHBondContact NH2-OE1 3.11Å; R582-E586 PolarHBondContact O-N 2.87Å
583K84.3Confident85.1Confident52 Ų5233.9 Ų33.923%0.22616%0.161CC..Hα-helixtrans-61.4-40.1177.8-157.3-153.2-164.6-177.80111.8L521 F535 A579 L580 R585 E586 D587L521-K583 HydrophobicContact CD1-CB 3.47Å; L521-K583 VanDerWaalsContact CD1-CB 3.47Å; L521-K583 HydrophobicContact CD1-CD 3.27Å; L521-K583 HydrophobicContact CD1-CG 3.45Å; L521-K583 VanDerWaalsContact CD1-CG 3.45Å; L521-K583 HydrophobicContact CG-CB 4.31Å; F535-K583 HydrophobicContact CB-CD 4.43Å; F535-K583 HydrophobicContact CD1-CD 4.15Å; F535-K583 VanDerWaalsContact CD1-NZ 3.34Å; F535-K583 HydrophobicContact CD2-CD 3.47Å; F535-K583 VanDerWaalsContact CD2-CD 3.47Å; F535-K583 HydrophobicContact CD2-CG 4.36Å; F535-K583 HydrophobicContact CE1-CD 4.24Å; F535-K583 HydrophobicContact CE2-CB 4.48Å; F535-K583 HydrophobicContact CE2-CD 3.58Å; F535-K583 HydrophobicContact CE2-CG 4.14Å; F535-K583 HydrophobicContact CG-CD 3.74Å; F535-K583 HydrophobicContact CZ-CD 3.95Å; A579-K583 PolarHBondContact O-N 3.15Å; L580-K583 PolarHBondContact O-N 3.45Å; K583-R585 VanDerWaalsContact C-N 3.31Å; K583-R585 PolarHBondContact O-N 3.48Å; K583-E586 PolarHBondContact O-N 3.01Å; K583-D587 VanDerWaalsContact CE-OD2 3.31Å; K583-D587 WeakPolarHBondContact CE-OD2 3.35Å; K583-D587 WeakPolarHBondContact CG-OD2 3.38Å; K583-D587 WeakPolarHBondContact O-CB 3.34Å; K583-D587 PolarHBondContact O-N 2.79Å
584S84.8Confident85.2Confident0 Ų034.5 Ų34.50%017%0.166CC..Hα-helixtrans-65-33.5174.4-59.20000112.8I538 L580 C581 R582 L588 D589 A590I538-S584 WeakPolarHBondContact CG2-OG 3.43Å; L580-S584 PolarHBondContact O-N 3.14Å; L580-S584 PolarHBondContact O-OG 2.93Å; L580-S584 VanDerWaalsContact O-OG 3.07Å; C581-S584 PolarHBondContact O-N 2.83Å; R582-S584 VanDerWaalsContact C-N 3.3Å; R582-S584 PolarHBondContact O-N 3.02Å; S584-L588 CarbonylContact O-C 3.54Å; S584-L588 WeakPolarHBondContact O-CA 3.47Å; S584-L588 VanDerWaalsContact O-CB 3.28Å; S584-L588 WeakPolarHBondContact O-CB 3.4Å; S584-L588 PolarHBondContact O-N 2.98Å; S584-D589 PolarHBondContact O-N 3.41Å; S584-A590 PolarHBondContact O-N 3.05Å
585R83.1Confident85.2Confident82 Ų8234.5 Ų34.531%0.30916%0.164SC..Hα-helixtrans-66.2-43.2172.9-172.4-175.5-69175.3-5.4111.7C581 R582 K583 D589 V592C581-R585 PolarHBondContact O-N 3.36Å; R582-R585 WeakPolarHBondContact O-CB 3.24Å; R582-R585 PolarHBondContact O-N 3.31Å; R582-R585 VanDerWaalsContact O-N 3.1Å; K583-R585 VanDerWaalsContact C-N 3.31Å; K583-R585 PolarHBondContact O-N 3.48Å; R585-D589 WeakPolarHBondContact O-CA 3.47Å; R585-D589 PolarHBondContact O-N 3.34Å; R585-V592 HydrophobicContact CB-CG2 4.17Å
586E81.3Confident85.1Confident112 Ų11233.8 Ų33.852%0.52316%0.156SC..Hα-helixtrans-73.4-50.1-178.1-68.8171-17500112.3R582 K583R582-E586 WeakPolarHBondContact CG-OE1 3.12Å; R582-E586 IonicContact CZ-OE1 3.98Å; R582-E586 IonicContact NE-OE1 2.91Å; R582-E586 PolarHBondContact NE-OE1 3.3Å; R582-E586 IonicContact NH2-OE1 3.61Å; R582-E586 PolarHBondContact NH2-OE1 3.11Å; R582-E586 PolarHBondContact O-N 2.87Å; K583-E586 PolarHBondContact O-N 3.01Å
587D78.8Confident85Confident94 Ų9433.7 Ų33.750%0.50316%0.155SC..Hα-helixtrans-85.9-32.9-173.1-68.6-12.9000113.5F535 K583F535-D587 HydrophobicContact CE2-CB 4.32Å; F535-D587 HydrophobicContact CZ-CB 3.77Å; F535-D587 VanDerWaalsContact CZ-OD2 3.31Å; F535-D587 WeakPolarHBondContact CZ-OD2 3.31Å; K583-D587 VanDerWaalsContact CE-OD2 3.31Å; K583-D587 WeakPolarHBondContact CE-OD2 3.35Å; K583-D587 WeakPolarHBondContact CG-OD2 3.38Å; K583-D587 WeakPolarHBondContact O-CB 3.34Å; K583-D587 PolarHBondContact O-N 2.79Å
588L74Confident84.8Confident33 Ų3341.1 Ų41.117%0.17318%0.183CC..Hα-helixtrans-1100.3-174.2-55.6172.4000113.4F535 I538 L542 S584 A590F535-L588 HydrophobicContact CE2-CD1 4.25Å; F535-L588 HydrophobicContact CE2-CG 4.47Å; F535-L588 HydrophobicContact CZ-CG 4.46Å; I538-L588 HydrophobicContact CG2-CD1 4.24Å; L542-L588 HydrophobicContact CD1-CD1 3.96Å; S584-L588 CarbonylContact O-C 3.54Å; S584-L588 WeakPolarHBondContact O-CA 3.47Å; S584-L588 VanDerWaalsContact O-CB 3.28Å; S584-L588 WeakPolarHBondContact O-CB 3.4Å; S584-L588 PolarHBondContact O-N 2.98Å; L588-A590 HydrophobicContact CB-CB 4.49Å; L588-A590 PolarHBondContact O-N 2.99Å
589D76.9Confident84.5Confident20 Ų2045.2 Ų45.211%0.10720%0.203CC..  trans52.736.9-175.5-174.948.9000111.3R259 C261 G262 K377 H393 S584 R585R259-D589 VanDerWaalsContact CZ-O 3.24Å; R259-D589 PolarHBondContact NH1-O 2.94Å; R259-D589 IonicContact NH1-OD2 3.88Å; R259-D589 PolarHBondContact NH1-OD2 2.91Å; R259-D589 VanDerWaalsContact NH1-OD2 3.11Å; R259-D589 PolarHBondContact NH2-O 3.4Å; C261-D589 PolarHBondContact SG-OD2 3.29Å; G262-D589 PolarHBondContact N-OD1 3.36Å; K377-D589 IonicContact NZ-OD2 3.48Å; H393-D589 IonicContact CE1-OD1 3.55Å; H393-D589 PolarHBondContact CE1-OD1 3.06Å; H393-D589 PolarHBondContact ND1-O 3.33Å; H393-D589 IonicContact ND1-OD1 2.68Å; H393-D589 PolarHBondContact ND1-OD1 2.66Å; S584-D589 PolarHBondContact O-N 3.41Å; R585-D589 WeakPolarHBondContact O-CA 3.47Å; R585-D589 PolarHBondContact O-N 3.34Å
590A82.3Confident84.3Confident0 Ų045.5 Ų45.50%020%0.204CC..  trans-86.4138.1-175.800000112.5L542 S584 L588 P624 V626L542-A590 HydrophobicContact CD1-CB 4.05Å; S584-A590 PolarHBondContact O-N 3.05Å; L588-A590 HydrophobicContact CB-CB 4.49Å; L588-A590 PolarHBondContact O-N 2.99Å; A590-P624 CarbonylContact C-O 3.46Å; A590-P624 VanDerWaalsContact CA-O 3.3Å; A590-P624 WeakPolarHBondContact CA-O 3.47Å; A590-V626 HydrophobicContact CB-CG2 4.21Å
591H84.6Confident84Confident38 Ų3851 Ų5118%0.17623%0.23CC..EExtended strand (participates in β ladder)trans-73.1136.2170.8-17959.6000109.6H393 E593 G622 P624 S625 V626H393-H591 HydrophobicContact CB-CB 4.22Å; H591-E593 IonicContact CD2-OE1 3.61Å; H591-E593 IonicContact CE1-OE1 2.87Å; H591-E593 PolarHBondContact CE1-OE1 3.19Å; H591-E593 IonicContact NE2-OE1 3.08Å; H591-E593 PolarHBondContact NE2-OE1 3.37Å; H591-G622 VanDerWaalsContact CB-O 3.28Å; H591-G622 WeakPolarHBondContact CB-O 3.47Å; H591-P624 PolarHBondContact N-O 3.09Å; H591-S625 CarbonylContact O-C 3.58Å; H591-S625 WeakPolarHBondContact O-CA 3.44Å; H591-S625 WeakPolarHBondContact O-CB 3.32Å; H591-V626 PolarHBondContact O-N 2.83Å
592V86.5Confident83.5Confident6 Ų655 Ų554%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-121.5124.9-174.51760000110C581 R585 V594 V626C581-V592 HydrophobicContact CB-CG1 3.66Å; C581-V592 HydrophobicContact CB-CG2 4.21Å; C581-V592 WeakPolarHBondContact O-CG2 3.28Å; R585-V592 HydrophobicContact CB-CG2 4.17Å; V592-V594 HydrophobicContact CG1-CG2 4.01Å; V592-V626 WeakPolarHBondContact CA-O 3.48Å; V592-V626 HydrophobicContact CG2-CB 4.47Å
593E87.1Confident83.5Confident32 Ų3254.9 Ų54.915%0.1527%0.273CS..EExtended strand (participates in β ladder)trans-115.3130.8172.4-73.4-60.9160.300109.8H591 M615 V626 V627 L628H591-E593 IonicContact CD2-OE1 3.61Å; H591-E593 IonicContact CE1-OE1 2.87Å; H591-E593 PolarHBondContact CE1-OE1 3.19Å; H591-E593 IonicContact NE2-OE1 3.08Å; H591-E593 PolarHBondContact NE2-OE1 3.37Å; E593-M615 HydrophobicContact CB-CE 3.61Å; E593-M615 HydrophobicContact CG-CE 3.81Å; E593-M615 WeakPolarHBondContact OE2-CE 3.4Å; E593-V626 PolarHBondContact N-O 3.32Å; E593-V627 CarbonylContact O-C 3.59Å; E593-V627 WeakPolarHBondContact O-CA 3.45Å; E593-L628 PolarHBondContact O-N 2.83Å
594V89.6Confident83.4Confident27 Ų2762 Ų6216%0.16430%0.298CS..EExtended strand (participates in β ladder)trans-121.3127.1-178.5179.20000109.7M516 V592 L628M516-V594 HydrophobicContact CE-CB 4.06Å; M516-V594 HydrophobicContact CE-CG2 3.49Å; M516-V594 VanDerWaalsContact CE-CG2 3.49Å; M516-V594 HydrophobicContact SD-CB 3.9Å; M516-V594 HydrophobicContact SD-CG2 3.89Å; V592-V594 HydrophobicContact CG1-CG2 4.01Å; V594-L628 HydrophobicContact CG1-CB 4.47Å; V594-L628 HydrophobicContact CG1-CD2 4.01Å; V594-L628 HydrophobicContact CG1-CG 4.32Å; V594-L628 HydrophobicContact CG2-CB 4.14Å; V594-L628 HydrophobicContact CG2-CD2 4.12Å
595L89.5Confident83.4Confident19 Ų1962.9 Ų62.910%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-118.8114.3176.5-175.261.4000110.3C597 L600 I611 L612 M615 L628 L629 D630L595-C597 PolarHBondContact O-N 3.41Å; L595-L600 HydrophobicContact CD1-CD1 3.97Å; L595-L600 HydrophobicContact CD2-CD1 3.8Å; L595-L600 HydrophobicContact CG-CD1 4.05Å; L595-I611 HydrophobicContact CD1-CG2 4.33Å; L595-L612 HydrophobicContact CD2-CD2 3.59Å; L595-M615 HydrophobicContact CB-SD 4.16Å; L595-M615 HydrophobicContact CD1-SD 4.1Å; L595-L628 PolarHBondContact N-O 3.04Å; L595-L629 HydrophobicContact CB-CD2 3.96Å; L595-L629 HydrophobicContact CD2-CD2 3.77Å; L595-L629 HydrophobicContact CG-CD2 4.37Å; L595-D630 PolarHBondContact O-N 3.39Å
596D87.7Confident83.6Confident41 Ų4165.1 Ų65.122%0.21932%0.324CS..EExtended strand (participates in β ladder)trans-80.4106.7172-55-47.6000109.6R578 R598 K599R578-D596 IonicContact NH2-OD1 3.43Å; R578-D596 PolarHBondContact NH2-OD1 3.44Å; D596-R598 PolarHBondContact O-N 2.67Å; D596-K599 HydrophobicContact CB-CD 4.14Å; D596-K599 HydrophobicContact CB-CG 4.31Å; D596-K599 PolarHBondContact O-N 2.75Å; D596-K599 VanDerWaalsContact O-N 3.11Å; D596-K599 WeakPolarHBondContact OD2-CE 3.49Å; D596-K599 IonicContact OD2-NZ 3.9Å; D596-K599 PolarHBondContact OD2-NZ 3.26Å
597C85.4Confident83.9Confident1 Ų162.6 Ų62.61%0.00732%0.316CS..G310 helixtrans-64-23.7-177.3-64.60000112.8L595 K599 L600 Q601 D630 D631 L635L595-C597 PolarHBondContact O-N 3.41Å; C597-K599 PolarHBondContact O-N 3.46Å; C597-L600 PolarHBondContact O-N 3.5Å; C597-Q601 PolarHBondContact O-N 3.03Å; C597-D630 WeakPolarHBondContact CB-O 3.41Å; C597-D630 PolarHBondContact N-O 3.35Å; C597-D630 PolarHBondContact SG-O 3.18Å; C597-D630 VanDerWaalsContact SG-O 3.41Å; C597-D631 WeakPolarHBondContact CB-O 3.4Å; C597-L635 HydrophobicContact CB-CD1 3.53Å; C597-L635 HydrophobicContact CB-CG 3.89Å
598R85.6Confident84.3Confident155 Ų15558.2 Ų58.259%0.58529%0.293SS*.G310 helixtrans-57.5-33.9173.4-60.5-175.4-170.7-170.32.2113.3D596 L600 Q601 D631D596-R598 PolarHBondContact O-N 2.67Å; R598-L600 PolarHBondContact O-N 2.93Å; R598-Q601 PolarHBondContact O-N 3.33Å; R598-D631 HydrophobicContact CG-CB 4.49Å; R598-D631 IonicContact CZ-OD2 3.4Å; R598-D631 IonicContact NE-OD2 2.66Å; R598-D631 PolarHBondContact NE-OD2 3.11Å; R598-D631 IonicContact NH2-OD2 3.83Å; R598-D631 PolarHBondContact NH2-OD2 3.18Å
599K85.6Confident85Confident147 Ų14759.4 Ų59.464%0.63930%0.297SS*.G310 helixtrans-74.5-14.4179.2-67173.4180154.40112.9D596 C597 K603D596-K599 HydrophobicContact CB-CD 4.14Å; D596-K599 HydrophobicContact CB-CG 4.31Å; D596-K599 PolarHBondContact O-N 2.75Å; D596-K599 VanDerWaalsContact O-N 3.11Å; D596-K599 WeakPolarHBondContact OD2-CE 3.49Å; D596-K599 IonicContact OD2-NZ 3.9Å; D596-K599 PolarHBondContact OD2-NZ 3.26Å; C597-K599 PolarHBondContact O-N 3.46Å; K599-K603 WeakPolarHBondContact O-CE 3.41Å
600L82.2Confident85.5Confident6 Ų663.7 Ų63.73%0.03132%0.316CS..G310 helixtrans-99.3-7.7-178.4-61.5-177.7000112.6L595 C597 R598 G602 K603 V608 I611 L635L595-L600 HydrophobicContact CD1-CD1 3.97Å; L595-L600 HydrophobicContact CD2-CD1 3.8Å; L595-L600 HydrophobicContact CG-CD1 4.05Å; C597-L600 PolarHBondContact O-N 3.5Å; R598-L600 PolarHBondContact O-N 2.93Å; L600-G602 PolarHBondContact O-N 3.38Å; L600-K603 HydrophobicContact CD2-CD 3.98Å; L600-K603 WeakPolarHBondContact O-CB 3.34Å; L600-K603 PolarHBondContact O-N 3.44Å; L600-V608 HydrophobicContact CB-CG2 4.46Å; L600-V608 HydrophobicContact CD1-CG1 4.42Å; L600-I611 HydrophobicContact CD2-CD1 3.65Å; L600-I611 HydrophobicContact CD2-CG2 4.49Å; L600-L635 HydrophobicContact CB-CD1 4.03Å; L600-L635 HydrophobicContact CB-CD2 3.83Å; L600-L635 HydrophobicContact CD1-CD1 4.11Å
601Q80.9Confident85.9Confident118 Ų11865.8 Ų65.855%0.55133%0.327SS*.THydrogen-bonded Turntrans-59.5130.8177.6-165.3179.36.200110.7C597 R598 K603C597-Q601 PolarHBondContact O-N 3.03Å; R598-Q601 PolarHBondContact O-N 3.33Å; Q601-K603 VanDerWaalsContact C-N 3.34Å; Q601-K603 PolarHBondContact O-N 3.45Å
602G77.3Confident86Confident83 Ų8364.2 Ų64.286%0.85632%0.32SS*.THydrogen-bonded Turntrans81.80.6179.900000115.7L600L600-G602 PolarHBondContact O-N 3.38Å
603K85.2Confident86.2Confident87 Ų8767 Ų6738%0.37833%0.332SS..SBendtrans-79.8157.9171-64.4-173.5-176.6177.90111.1K599 L600 Q601 V608K599-K603 WeakPolarHBondContact O-CE 3.41Å; L600-K603 HydrophobicContact CD2-CD 3.98Å; L600-K603 WeakPolarHBondContact O-CB 3.34Å; L600-K603 PolarHBondContact O-N 3.44Å; Q601-K603 VanDerWaalsContact C-N 3.34Å; Q601-K603 PolarHBondContact O-N 3.45Å; K603-V608 HydrophobicContact CB-CG2 3.99Å
604R83.9Confident86.2Confident200 Ų20067 Ų6776%0.75533%0.333SS*.  trans-66.3144174.6-64.4-176.7-179.6179.9-0.6110.5D606 T607 V608R604-D606 VanDerWaalsContact C-N 3.28Å; R604-D606 PolarHBondContact O-N 2.87Å; R604-T607 WeakPolarHBondContact O-CB 3.46Å; R604-T607 PolarHBondContact O-N 3.28Å; R604-V608 PolarHBondContact O-N 3.46Å; R604-V608 VanDerWaalsContact O-N 3.12Å
605A83.5Confident86Confident19 Ų1966.6 Ų66.616%0.15733%0.33CS..Hα-helixtrans-53-43.3-18000000112.9T607 V608 K609 L652 I656A605-T607 VanDerWaalsContact C-N 3.28Å; A605-T607 PolarHBondContact O-N 2.97Å; A605-V608 PolarHBondContact O-N 3.26Å; A605-V608 VanDerWaalsContact O-N 3.1Å; A605-K609 PolarHBondContact O-N 3.45Å; A605-L652 HydrophobicContact CB-CD1 3.69Å; A605-I656 HydrophobicContact CB-CG1 4.03Å
606D87Confident85.9Confident129 Ų12966.2 Ų66.269%0.6933%0.327SS*.Hα-helixtrans-59.9-38.9179.4-55.7-35.9000112.6R604 Q610R604-D606 VanDerWaalsContact C-N 3.28Å; R604-D606 PolarHBondContact O-N 2.87Å; D606-Q610 WeakPolarHBondContact O-CB 3.5Å; D606-Q610 PolarHBondContact O-N 3.21Å
607T87.9Confident85.8Confident60 Ų6067.8 Ų67.837%0.36833%0.334SS..Hα-helixtrans-70-38.8177.8-500000111R604 A605 Q610 I611R604-T607 WeakPolarHBondContact O-CB 3.46Å; R604-T607 PolarHBondContact O-N 3.28Å; A605-T607 VanDerWaalsContact C-N 3.28Å; A605-T607 PolarHBondContact O-N 2.97Å; T607-Q610 PolarHBondContact O-N 3.39Å; T607-I611 HydrophobicContact CG2-CD1 4.15Å; T607-I611 WeakPolarHBondContact O-CD1 3.43Å; T607-I611 VanDerWaalsContact O-CG1 3.25Å; T607-I611 WeakPolarHBondContact O-CG1 3.44Å; T607-I611 PolarHBondContact O-N 3.12Å
608V87.5Confident85.7Confident1 Ų169.1 Ų69.11%0.00634%0.34CS..Hα-helixtrans-64.8-45.7175.6176.40000110.3L600 K603 R604 A605 Q610 I611 L612 I656L600-V608 HydrophobicContact CB-CG2 4.46Å; L600-V608 HydrophobicContact CD1-CG1 4.42Å; K603-V608 HydrophobicContact CB-CG2 3.99Å; R604-V608 PolarHBondContact O-N 3.46Å; R604-V608 VanDerWaalsContact O-N 3.12Å; A605-V608 PolarHBondContact O-N 3.26Å; A605-V608 VanDerWaalsContact O-N 3.1Å; V608-Q610 PolarHBondContact O-N 3.04Å; V608-I611 PolarHBondContact O-N 3.1Å; V608-L612 HydrophobicContact CG1-CD1 4.04Å; V608-L612 WeakPolarHBondContact O-CG 3.47Å; V608-L612 PolarHBondContact O-N 2.96Å; V608-I656 HydrophobicContact CG1-CG2 4.05Å
609K87.8Confident85.7Confident59 Ų5961.8 Ų61.826%0.25731%0.312SS..Hα-helixtrans-57.4-46.5174.9-176.9169.2-175.4153.90111.6A605 I611 L612 Q613 D662A605-K609 PolarHBondContact O-N 3.45Å; K609-I611 PolarHBondContact O-N 3.47Å; K609-L612 PolarHBondContact O-N 3.3Å; K609-Q613 HydrophobicContact CG-CG 4.46Å; K609-Q613 WeakPolarHBondContact O-CB 3.47Å; K609-Q613 WeakPolarHBondContact O-CG 3.5Å; K609-Q613 PolarHBondContact O-N 2.91Å; K609-D662 IonicContact NZ-OD2 2.68Å; K609-D662 PolarHBondContact NZ-OD2 3.48Å; K609-D662 VanDerWaalsContact NZ-OD2 3.08Å
610Q89.4Confident85.5Confident109 Ų10956.9 Ų56.951%0.50929%0.291SS..Hα-helixtrans-63.1-41.1178.5-171.717218.500112.6D606 T607 V608 Q613 D614D606-Q610 WeakPolarHBondContact O-CB 3.5Å; D606-Q610 PolarHBondContact O-N 3.21Å; T607-Q610 PolarHBondContact O-N 3.39Å; V608-Q610 PolarHBondContact O-N 3.04Å; Q610-Q613 PolarHBondContact O-N 3.3Å; Q610-D614 WeakPolarHBondContact O-CB 3.38Å; Q610-D614 PolarHBondContact O-N 3.25Å
611I88.9Confident85.4Confident44 Ų4459.7 Ų59.723%0.22630%0.302CS..Hα-helixtrans-63.2-44.3176.4-69.7165.9000110.6L595 L600 T607 V608 K609 M615L595-I611 HydrophobicContact CD1-CG2 4.33Å; L600-I611 HydrophobicContact CD2-CD1 3.65Å; L600-I611 HydrophobicContact CD2-CG2 4.49Å; T607-I611 HydrophobicContact CG2-CD1 4.15Å; T607-I611 WeakPolarHBondContact O-CD1 3.43Å; T607-I611 VanDerWaalsContact O-CG1 3.25Å; T607-I611 WeakPolarHBondContact O-CG1 3.44Å; T607-I611 PolarHBondContact O-N 3.12Å; V608-I611 PolarHBondContact O-N 3.1Å; K609-I611 PolarHBondContact O-N 3.47Å; I611-M615 HydrophobicContact CG2-CG 4.39Å; I611-M615 WeakPolarHBondContact O-CB 3.24Å; I611-M615 WeakPolarHBondContact O-CG 3.16Å; I611-M615 PolarHBondContact O-N 3.36Å
612L88.4Confident85.1Confident6 Ų654.2 Ų54.23%0.03128%0.277CS..Hα-helixtrans-62.2-48.6176.9-71.5168.5000111.1L595 V608 K609 D614 M615 F616 L629 V660L595-L612 HydrophobicContact CD2-CD2 3.59Å; V608-L612 HydrophobicContact CG1-CD1 4.04Å; V608-L612 WeakPolarHBondContact O-CG 3.47Å; V608-L612 PolarHBondContact O-N 2.96Å; K609-L612 PolarHBondContact O-N 3.3Å; L612-D614 PolarHBondContact O-N 3.05Å; L612-M615 WeakPolarHBondContact O-CA 3.49Å; L612-M615 WeakPolarHBondContact O-CB 3.38Å; L612-M615 PolarHBondContact O-N 3.49Å; L612-M615 VanDerWaalsContact O-N 3.09Å; L612-F616 VanDerWaalsContact O-CD2 3.31Å; L612-F616 WeakPolarHBondContact O-CD2 3.4Å; L612-F616 PolarHBondContact O-N 3.34Å; L612-L629 HydrophobicContact CD2-CD2 4.1Å; L612-V660 HydrophobicContact CD1-CG2 3.65Å
613Q88.8Confident85Confident65 Ų6551.4 Ų51.430%0.30424%0.241SC..Hα-helixtrans-56.7-50.4176.7-76.1176.3-30.200112K609 Q610 M615 F616 E617 V663K609-Q613 HydrophobicContact CG-CG 4.46Å; K609-Q613 WeakPolarHBondContact O-CB 3.47Å; K609-Q613 WeakPolarHBondContact O-CG 3.5Å; K609-Q613 PolarHBondContact O-N 2.91Å; Q610-Q613 PolarHBondContact O-N 3.3Å; Q613-M615 VanDerWaalsContact C-N 3.26Å; Q613-M615 PolarHBondContact O-N 3Å; Q613-F616 PolarHBondContact O-N 3.22Å; Q613-E617 WeakPolarHBondContact O-CB 3.42Å; Q613-E617 WeakPolarHBondContact O-CG 3.16Å; Q613-E617 PolarHBondContact O-N 3.28Å; Q613-V663 HydrophobicContact CG-CG2 3.71Å
614D87.8Confident84.9Confident32 Ų3247.9 Ų47.917%0.17123%0.227CC..Hα-helixtrans-57.7-42.5177-75.5-35.1000109.9K311 K314 Q610 L612 E617 E618K311-D614 HydrophobicContact CD-CB 4.17Å; K311-D614 WeakPolarHBondContact CE-O 3.45Å; K311-D614 HydrophobicContact CG-CB 4.23Å; K314-D614 IonicContact NZ-OD1 2.65Å; K314-D614 PolarHBondContact NZ-OD1 3.04Å; Q610-D614 WeakPolarHBondContact O-CB 3.38Å; Q610-D614 PolarHBondContact O-N 3.25Å; L612-D614 PolarHBondContact O-N 3.05Å; D614-E617 PolarHBondContact O-N 3.46Å; D614-E618 PolarHBondContact O-N 3.02Å
615M86.1Confident85Confident18 Ų1838.4 Ų38.49%0.08919%0.192CC..Hα-helixtrans-62.1-45.8178.1-68.6-120.560.100113.6E593 L595 I611 L612 Q613 E618 A619E593-M615 HydrophobicContact CB-CE 3.61Å; E593-M615 HydrophobicContact CG-CE 3.81Å; E593-M615 WeakPolarHBondContact OE2-CE 3.4Å; L595-M615 HydrophobicContact CB-SD 4.16Å; L595-M615 HydrophobicContact CD1-SD 4.1Å; I611-M615 HydrophobicContact CG2-CG 4.39Å; I611-M615 WeakPolarHBondContact O-CB 3.24Å; I611-M615 WeakPolarHBondContact O-CG 3.16Å; I611-M615 PolarHBondContact O-N 3.36Å; L612-M615 WeakPolarHBondContact O-CA 3.49Å; L612-M615 WeakPolarHBondContact O-CB 3.38Å; L612-M615 PolarHBondContact O-N 3.49Å; L612-M615 VanDerWaalsContact O-N 3.09Å; Q613-M615 VanDerWaalsContact C-N 3.26Å; Q613-M615 PolarHBondContact O-N 3Å; M615-E618 PolarHBondContact O-N 3.45Å; M615-A619 WeakPolarHBondContact O-CB 3.47Å; M615-A619 PolarHBondContact O-N 3.35Å
616F87.6Confident85.3Confident10 Ų1037.5 Ų37.54%0.04418%0.184CC..Hα-helixtrans-69.4-34.9177.2-82.1-85.2000112L612 Q613 E618 A619 E620 V627 V663 V664 V667 V674 L676L612-F616 VanDerWaalsContact O-CD2 3.31Å; L612-F616 WeakPolarHBondContact O-CD2 3.4Å; L612-F616 PolarHBondContact O-N 3.34Å; Q613-F616 PolarHBondContact O-N 3.22Å; F616-E618 VanDerWaalsContact C-N 3.31Å; F616-E618 PolarHBondContact O-N 3.01Å; F616-A619 PolarHBondContact O-N 3.38Å; F616-E620 WeakPolarHBondContact O-CB 3.23Å; F616-E620 PolarHBondContact O-N 3.28Å; F616-V627 HydrophobicContact CE1-CG2 4.43Å; F616-V627 HydrophobicContact CZ-CG1 4.38Å; F616-V663 HydrophobicContact CB-CG1 3.76Å; F616-V663 HydrophobicContact CD1-CG1 4.32Å; F616-V663 HydrophobicContact CD2-CB 4.46Å; F616-V663 HydrophobicContact CD2-CG1 3.21Å; F616-V663 HydrophobicContact CE2-CG1 3.77Å; F616-V663 HydrophobicContact CG-CG1 3.52Å; F616-V663 HydrophobicContact CZ-CG1 4.49Å; F616-V664 HydrophobicContact CE1-CG2 4.37Å; F616-V664 HydrophobicContact CZ-CG2 3.96Å; F616-V667 HydrophobicContact CB-CG2 4.14Å; F616-V667 HydrophobicContact CD1-CG2 3.67Å; F616-V667 HydrophobicContact CE1-CG2 4.4Å; F616-V667 HydrophobicContact CG-CG2 4.21Å; F616-V674 HydrophobicContact CD1-CG1 4.44Å; F616-L676 HydrophobicContact CE1-CD1 4.44Å; F616-L676 HydrophobicContact CZ-CD1 3.87Å; F616-L676 HydrophobicContact CZ-CD2 4.44Å
617E85.6Confident85.6Confident75 Ų7531.4 Ų31.435%0.3515%0.152SC..Hα-helixtrans-59-41.4170.4-75.5178.1-169.600111.6K314 Q613 D614 E620 W621K314-E617 IonicContact NZ-OE1 2.9Å; K314-E617 IonicContact NZ-OE2 3.59Å; K314-E617 PolarHBondContact NZ-OE2 2.97Å; Q613-E617 WeakPolarHBondContact O-CB 3.42Å; Q613-E617 WeakPolarHBondContact O-CG 3.16Å; Q613-E617 PolarHBondContact O-N 3.28Å; D614-E617 PolarHBondContact O-N 3.46Å; E617-E620 PolarHBondContact O-N 3.28Å; E617-W621 PolarHBondContact O-N 3.11Å
618E83.5Confident85.8Confident29 Ų2928.5 Ų28.514%0.13613%0.134CC..Hα-helixtrans-71.2-38.5176.9-176.2157.8-128.200112.4S309 K311 D614 M615 F616 E620 W621 G622S309-E618 PolarHBondContact OG-OE1 3.06Å; K311-E618 HydrophobicContact CD-CB 4.24Å; K311-E618 WeakPolarHBondContact CD-OE2 2.99Å; K311-E618 WeakPolarHBondContact CE-OE2 3.44Å; K311-E618 HydrophobicContact CG-CB 4.37Å; K311-E618 IonicContact NZ-OE2 3.38Å; K311-E618 PolarHBondContact NZ-OE2 3.24Å; D614-E618 PolarHBondContact O-N 3.02Å; M615-E618 PolarHBondContact O-N 3.45Å; F616-E618 VanDerWaalsContact C-N 3.31Å; F616-E618 PolarHBondContact O-N 3.01Å; E618-E620 VanDerWaalsContact C-N 3.31Å; E618-E620 PolarHBondContact O-N 2.67Å; E618-W621 PolarHBondContact O-N 3.48Å; E618-G622 PolarHBondContact O-N 3.32Å
619A84.5Confident86Confident0 Ų028.5 Ų28.50%013%0.134CC..Hα-helixtrans-63.9-38173.200000111.6M615 F616 W621 G622 Q623 S625 V627 V674M615-A619 WeakPolarHBondContact O-CB 3.47Å; M615-A619 PolarHBondContact O-N 3.35Å; F616-A619 PolarHBondContact O-N 3.38Å; A619-W621 VanDerWaalsContact C-N 3.34Å; A619-G622 PolarHBondContact O-N 2.78Å; A619-Q623 PolarHBondContact O-N 2.97Å; A619-S625 WeakPolarHBondContact O-CB 3.25Å; A619-S625 PolarHBondContact O-OG 3.26Å; A619-V627 HydrophobicContact CB-CG2 3.46Å; A619-V627 VanDerWaalsContact CB-CG2 3.46Å; A619-V674 HydrophobicContact CB-CG1 4.11Å
620E82.1Confident86.2Confident45 Ų4526 Ų2621%0.2112%0.124CC..Hα-helixtrans-64.7-40.3175.4-163.5-175175.800111.2I373 F616 E617 E618 G622 Q623 S672I373-E620 HydrophobicContact CD1-CG 4.02Å; F616-E620 WeakPolarHBondContact O-CB 3.23Å; F616-E620 PolarHBondContact O-N 3.28Å; E617-E620 PolarHBondContact O-N 3.28Å; E618-E620 VanDerWaalsContact C-N 3.31Å; E618-E620 PolarHBondContact O-N 2.67Å; E620-G622 VanDerWaalsContact C-N 3.32Å; E620-G622 PolarHBondContact O-N 3.22Å; E620-Q623 VanDerWaalsContact O-CG 3.25Å; E620-Q623 WeakPolarHBondContact O-CG 3.35Å; E620-Q623 PolarHBondContact O-NE2 3.04Å; E620-S672 PolarHBondContact OE1-OG 3.49Å
621W80.7Confident86.2Confident65 Ų6521.5 Ų21.525%0.24610%0.103CC..Hα-helixtrans-65.2-35.2175.1-169.6-99.6000112.7V307 P310 I373 H374 S395 E617 E618 A619V307-W621 HydrophobicContact CG1-CH2 4.37Å; V307-W621 HydrophobicContact CG1-CZ2 3.79Å; P310-W621 HydrophobicContact CG-CD2 4.48Å; P310-W621 HydrophobicContact CG-CE3 4.37Å; I373-W621 HydrophobicContact CG2-CE3 3.92Å; I373-W621 HydrophobicContact CG2-CZ3 3.93Å; H374-W621 PolarHBondContact NE2-O 3.29Å; S395-W621 PolarHBondContact OG-NE1 3.05Å; E617-W621 PolarHBondContact O-N 3.11Å; E618-W621 PolarHBondContact O-N 3.48Å; A619-W621 VanDerWaalsContact C-N 3.34Å
622G74.3Confident86.2Confident3 Ų319.6 Ų19.63%0.0319%0.093CC..THydrogen-bonded Turntrans-89.46.1-17600000116.6R259 H591 E618 A619 E620R259-G622 PolarHBondContact NE-O 3.21Å; R259-G622 PolarHBondContact NH2-O 2.8Å; H591-G622 VanDerWaalsContact CB-O 3.28Å; H591-G622 WeakPolarHBondContact CB-O 3.47Å; E618-G622 PolarHBondContact O-N 3.32Å; A619-G622 PolarHBondContact O-N 2.78Å; E620-G622 VanDerWaalsContact C-N 3.32Å; E620-G622 PolarHBondContact O-N 3.22Å
623Q74.8Confident86Confident23 Ų2319.6 Ų19.611%0.1079%0.093CC..  trans-47.6146.7-172.5-78.7178.743.500114.7R259 W284 A619 E620 S672 L673 V674R259-Q623 WeakPolarHBondContact CD-O 3.12Å; R259-Q623 PolarHBondContact NE-O 3.14Å; W284-Q623 WeakPolarHBondContact CH2-O 3.36Å; A619-Q623 PolarHBondContact O-N 2.97Å; E620-Q623 VanDerWaalsContact O-CG 3.25Å; E620-Q623 WeakPolarHBondContact O-CG 3.35Å; E620-Q623 PolarHBondContact O-NE2 3.04Å; Q623-S672 PolarHBondContact NE2-OG 3.47Å; Q623-L673 HydrophobicContact CB-CB 4.46Å; Q623-L673 VanDerWaalsContact CD-N 3.33Å; Q623-L673 HydrophobicContact CG-CB 4.34Å; Q623-V674 HydrophobicContact CG-CG2 4.18Å
624P82.4Confident85.7Confident13 Ų1319.7 Ų19.78%0.0849%0.093CC..SBendcis-62.6139.8-12.327.5-35.9000111.3R259 L542 A590 H591 L673R259-P624 PolarHBondContact NH2-O 3.01Å; R259-P624 VanDerWaalsContact NH2-O 3.1Å; L542-P624 HydrophobicContact CD2-CB 4.23Å; A590-P624 CarbonylContact C-O 3.46Å; A590-P624 VanDerWaalsContact CA-O 3.3Å; A590-P624 WeakPolarHBondContact CA-O 3.47Å; H591-P624 PolarHBondContact N-O 3.09Å; P624-L673 WeakPolarHBondContact CA-O 3.36Å; P624-L673 HydrophobicContact CB-CB 4.32Å
625S86.7Confident85.5Confident1 Ų118.6 Ų18.61%0.0079%0.088CC..EExtended strand (participates in β ladder)trans-139152.6-174.258.70000113.5H591 A619 L673 V674 C675H591-S625 CarbonylContact O-C 3.58Å; H591-S625 WeakPolarHBondContact O-CA 3.44Å; H591-S625 WeakPolarHBondContact O-CB 3.32Å; A619-S625 WeakPolarHBondContact O-CB 3.25Å; A619-S625 PolarHBondContact O-OG 3.26Å; S625-L673 PolarHBondContact N-O 3.49Å; S625-V674 WeakPolarHBondContact O-CA 3.44Å; S625-V674 WeakPolarHBondContact OG-CG2 3.48Å; S625-C675 PolarHBondContact O-N 3.23Å
626V90.3Very high85.3Confident0 Ų017.8 Ų17.80%08%0.083CC..EExtended strand (participates in β ladder)trans-119.5124.6175.8-179.40000108.2I538 L542 A590 H591 V592 E593 C675 I677I538-V626 HydrophobicContact CG2-CG2 4.29Å; L542-V626 HydrophobicContact CD1-CG2 3.76Å; A590-V626 HydrophobicContact CB-CG2 4.21Å; H591-V626 PolarHBondContact O-N 2.83Å; V592-V626 WeakPolarHBondContact CA-O 3.48Å; V592-V626 HydrophobicContact CG2-CB 4.47Å; E593-V626 PolarHBondContact N-O 3.32Å; V626-C675 CarbonylContact C-O 3.56Å; V626-C675 WeakPolarHBondContact CA-O 3.45Å; V626-I677 HydrophobicContact CG1-CD1 3.54Å; V626-I677 HydrophobicContact CG1-CG1 3.95Å
627V91.8Very high85Confident1 Ų121 Ų211%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-106.6123.3175.1179.90000108.3E593 F616 A619 L629 V674 C675 L676 I677E593-V627 CarbonylContact O-C 3.59Å; E593-V627 WeakPolarHBondContact O-CA 3.45Å; F616-V627 HydrophobicContact CE1-CG2 4.43Å; F616-V627 HydrophobicContact CZ-CG1 4.38Å; A619-V627 HydrophobicContact CB-CG2 3.46Å; A619-V627 VanDerWaalsContact CB-CG2 3.46Å; V627-L629 HydrophobicContact CG1-CD2 4.42Å; V627-V674 HydrophobicContact CG2-CG1 3.78Å; V627-C675 PolarHBondContact N-O 3.01Å; V627-L676 HydrophobicContact CB-CD1 4.03Å; V627-L676 HydrophobicContact CG1-CD1 3.96Å; V627-L676 CarbonylContact O-C 3.49Å; V627-L676 WeakPolarHBondContact O-CA 3.48Å; V627-I677 PolarHBondContact O-N 3.45Å
628L93.6Very high84.5Confident0 Ų018.3 Ų18.30%09%0.086CC..EExtended strand (participates in β ladder)trans-105.8120176.2173.560.1000110.5A577 R578 E593 V594 L595 I677 T679A577-L628 HydrophobicContact CB-CD1 3.62Å; A577-L628 HydrophobicContact CB-CD2 4.03Å; R578-L628 HydrophobicContact CG-CD2 3.87Å; E593-L628 PolarHBondContact O-N 2.83Å; V594-L628 HydrophobicContact CG1-CB 4.47Å; V594-L628 HydrophobicContact CG1-CD2 4.01Å; V594-L628 HydrophobicContact CG1-CG 4.32Å; V594-L628 HydrophobicContact CG2-CB 4.14Å; V594-L628 HydrophobicContact CG2-CD2 4.12Å; L595-L628 PolarHBondContact N-O 3.04Å; L628-I677 CarbonylContact C-O 3.52Å; L628-I677 WeakPolarHBondContact CA-O 3.3Å; L628-I677 HydrophobicContact CD1-CB 3.87Å; L628-I677 HydrophobicContact CD1-CG2 3.66Å; L628-T679 HydrophobicContact CD1-CG2 4.28Å
629L91.6Very high83.8Confident1 Ų118.6 Ų18.61%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-99103.6168-58.2-177.7000109.1L595 L612 V627 L632 L676 I677 T679L595-L629 HydrophobicContact CB-CD2 3.96Å; L595-L629 HydrophobicContact CD2-CD2 3.77Å; L595-L629 HydrophobicContact CG-CD2 4.37Å; L612-L629 HydrophobicContact CD2-CD2 4.1Å; V627-L629 HydrophobicContact CG1-CD2 4.42Å; L629-L632 HydrophobicContact CD1-CD1 4.37Å; L629-L676 HydrophobicContact CD1-CD1 3.87Å; L629-L676 HydrophobicContact CD1-CD2 4.49Å; L629-L676 HydrophobicContact CG-CD1 3.84Å; L629-I677 PolarHBondContact N-O 2.89Å; L629-T679 PolarHBondContact O-N 3.26Å; L629-T679 VanDerWaalsContact O-N 3.09Å; L629-T679 PolarHBondContact O-OG1 2.81Å
630D91.1Very high82.7Confident7 Ų724 Ų244%0.03713%0.127CC..EExtended strand (participates in β ladder)trans-89.6123.8-176.6-161.624.4000111.8S574 R578 L595 C597 T679S574-D630 WeakPolarHBondContact CB-OD1 3.43Å; S574-D630 VanDerWaalsContact CB-OD2 3.3Å; S574-D630 WeakPolarHBondContact CB-OD2 3.42Å; S574-D630 PolarHBondContact OG-OD1 3.21Å; S574-D630 PolarHBondContact OG-OD2 2.67Å; R578-D630 IonicContact CZ-OD2 2.83Å; R578-D630 VanDerWaalsContact CZ-OD2 3.27Å; R578-D630 IonicContact NH1-OD2 3.11Å; R578-D630 PolarHBondContact NH1-OD2 2.96Å; R578-D630 IonicContact NH2-OD2 3.06Å; R578-D630 PolarHBondContact NH2-OD2 3.21Å; L595-D630 PolarHBondContact O-N 3.39Å; C597-D630 WeakPolarHBondContact CB-O 3.41Å; C597-D630 PolarHBondContact N-O 3.35Å; C597-D630 PolarHBondContact SG-O 3.18Å; C597-D630 VanDerWaalsContact SG-O 3.41Å; D630-T679 VanDerWaalsContact CA-OG1 3.28Å; D630-T679 WeakPolarHBondContact CA-OG1 3.24Å; D630-T679 PolarHBondContact OD1-OG1 2.58Å; D630-T679 VanDerWaalsContact OD1-OG1 3.06Å
631D89.4Confident81.7Confident14 Ų1423.4 Ų23.48%0.07513%0.127CC..THydrogen-bonded Turntrans52.960.1-174.4-60.3-48.7000115.2C597 R598 D633 H634 T679C597-D631 WeakPolarHBondContact CB-O 3.4Å; R598-D631 HydrophobicContact CG-CB 4.49Å; R598-D631 IonicContact CZ-OD2 3.4Å; R598-D631 IonicContact NE-OD2 2.66Å; R598-D631 PolarHBondContact NE-OD2 3.11Å; R598-D631 IonicContact NH2-OD2 3.83Å; R598-D631 PolarHBondContact NH2-OD2 3.18Å; D631-D633 PolarHBondContact O-N 3.42Å; D631-D633 VanDerWaalsContact O-N 3.14Å; D631-H634 PolarHBondContact O-N 3.24Å; D631-T679 PolarHBondContact N-OG1 3.28Å
632L88.4Confident80.6Confident3 Ų325 Ų252%0.01615%0.146CC..G310 helixtrans-61.5-23.3-178-172.863.7000113.4L629 H634 L635 T636 I678 T679 L686 L690L629-L632 HydrophobicContact CD1-CD1 4.37Å; L632-H634 PolarHBondContact O-N 3.41Å; L632-L635 HydrophobicContact CD1-CB 4.4Å; L632-L635 HydrophobicContact CD1-CD1 4.43Å; L632-L635 PolarHBondContact O-N 2.79Å; L632-T636 HydrophobicContact CD1-CG2 4.33Å; L632-T636 HydrophobicContact CG-CG2 4.46Å; L632-T636 WeakPolarHBondContact CG-OG1 3.42Å; L632-T636 PolarHBondContact O-N 2.71Å; L632-T636 PolarHBondContact O-OG1 2.98Å; L632-I678 HydrophobicContact CB-CG2 3.81Å; L632-I678 HydrophobicContact CD2-CD1 4.33Å; L632-I678 HydrophobicContact CD2-CG2 3.59Å; L632-I678 HydrophobicContact CG-CG2 4.34Å; L632-T679 PolarHBondContact N-O 2.99Å; L632-L686 HydrophobicContact CB-CD2 4.27Å; L632-L686 HydrophobicContact CD2-CD2 4.27Å; L632-L686 HydrophobicContact CG-CD2 4.24Å; L632-L690 HydrophobicContact CD2-CD1 4.21Å
633D84.8Confident79.7Confident7 Ų732.6 Ų32.64%0.03718%0.181CC..G310 helixtrans-56.3-23.8177.9-55.9-27.9000114.8D631 L635 R637 S680 Q681 L686D631-D633 PolarHBondContact O-N 3.42Å; D631-D633 VanDerWaalsContact O-N 3.14Å; D633-L635 VanDerWaalsContact C-N 3.25Å; D633-R637 WeakPolarHBondContact O-CB 3.34Å; D633-R637 PolarHBondContact O-NH1 2.82Å; D633-S680 VanDerWaalsContact CG-OG 3.26Å; D633-S680 WeakPolarHBondContact OD1-CB 3.31Å; D633-S680 PolarHBondContact OD1-OG 2.77Å; D633-S680 WeakPolarHBondContact OD2-CA 3.41Å; D633-S680 PolarHBondContact OD2-OG 3.18Å; D633-Q681 WeakPolarHBondContact OD2-CB 3.24Å; D633-Q681 PolarHBondContact OD2-N 3.45Å; D633-L686 VanDerWaalsContact OD1-CD2 3.24Å; D633-L686 WeakPolarHBondContact OD1-CD2 3.33Å
634H83.1Confident79Confident66 Ų6637.5 Ų37.531%0.30620%0.203SC..G310 helixtrans-75.7-17.7177.2-70.7-62.4000112.7D631 L632D631-H634 PolarHBondContact O-N 3.24Å; L632-H634 PolarHBondContact O-N 3.41Å
635L83.5Confident78Confident10 Ų1042.3 Ų42.35%0.05223%0.225CC..THydrogen-bonded Turntrans-106.3-36.2179.5-65.6178000112.9C597 L600 L632 D633 Q653 I656C597-L635 HydrophobicContact CB-CD1 3.53Å; C597-L635 HydrophobicContact CB-CG 3.89Å; L600-L635 HydrophobicContact CB-CD1 4.03Å; L600-L635 HydrophobicContact CB-CD2 3.83Å; L600-L635 HydrophobicContact CD1-CD1 4.11Å; L632-L635 HydrophobicContact CD1-CB 4.4Å; L632-L635 HydrophobicContact CD1-CD1 4.43Å; L632-L635 PolarHBondContact O-N 2.79Å; D633-L635 VanDerWaalsContact C-N 3.25Å; L635-Q653 WeakPolarHBondContact O-CG 3.45Å; L635-I656 HydrophobicContact CB-CG2 4.27Å
636T81.3Confident76.9Confident0 Ų050.5 Ų50.50%026%0.263CS..SBendtrans-126.453.1-173.763.10000111L632 I656 A657 L686 H687 L690L632-T636 HydrophobicContact CD1-CG2 4.33Å; L632-T636 HydrophobicContact CG-CG2 4.46Å; L632-T636 WeakPolarHBondContact CG-OG1 3.42Å; L632-T636 PolarHBondContact O-N 2.71Å; L632-T636 PolarHBondContact O-OG1 2.98Å; T636-I656 HydrophobicContact CG2-CB 4.48Å; T636-I656 HydrophobicContact CG2-CG2 3.96Å; T636-A657 HydrophobicContact CG2-CB 3.82Å; T636-L686 WeakPolarHBondContact O-CA 3.32Å; T636-H687 PolarHBondContact O-N 2.96Å; T636-L690 HydrophobicContact CG2-CD1 4.19Å; T636-L690 WeakPolarHBondContact OG1-CD1 3.34Å
637R82.3Confident76.3Confident77 Ų7751.4 Ų51.429%0.29127%0.272SS..BIsolated β-bridgetrans-69.4142.4-179.9-152.3179.7-152.579.710.3110.9D633 Q653 S685D633-R637 WeakPolarHBondContact O-CB 3.34Å; D633-R637 PolarHBondContact O-NH1 2.82Å; R637-Q653 PolarHBondContact O-OE1 3.41Å; R637-Q653 VanDerWaalsContact O-OE1 3.11Å; R637-S685 CarbonylContact C-O 3.57Å; R637-S685 VanDerWaalsContact CA-O 3.3Å; R637-S685 WeakPolarHBondContact CA-O 3.49Å
638A74.5Confident75.5Confident19 Ų1957 Ų5716%0.15731%0.309CS..PPolyproline II helixtrans-72.3146.716400000110.8T640 H684 S685A638-T640 PolarHBondContact O-N 2.82Å; A638-H684 WeakPolarHBondContact CB-O 3.28Å; A638-S685 PolarHBondContact N-O 3.13Å
639A67.9Low74.7Confident35 Ų3563.3 Ų63.329%0.28934%0.338SS..PPolyproline II helixtrans-67.4130.1170.600000109.6S641 H644 E645A639-S641 VanDerWaalsContact C-N 3.3Å; A639-H644 HydrophobicContact CB-CB 4.47Å; A639-E645 HydrophobicContact CB-CB 4.41Å; A639-E645 HydrophobicContact CB-CG 3.61Å
640T63.2Low74Confident114 Ų11464 Ų6470%0.69934%0.344SS*.SBendtrans-79-14.2-179.5500000113.3A638A638-T640 PolarHBondContact O-N 2.82Å
641S59.3Low73.6Confident32 Ų3267.4 Ų67.422%0.22436%0.362CS..SBendtrans-144.5147.5176.462.60000111.1A639 E643 H644 E645A639-S641 VanDerWaalsContact C-N 3.3Å; S641-E643 PolarHBondContact O-N 2.84Å; S641-H644 PolarHBondContact O-N 3.47Å; S641-E645 PolarHBondContact O-N 3.33Å
642P57.8Low73.3Confident99 Ų9969.8 Ų69.864%0.64337%0.374SS*.THydrogen-bonded Turntrans-62.9-23.6-178.424.4-34.2000113H644 E645P642-H644 VanDerWaalsContact C-N 3.31Å; P642-E645 PolarHBondContact O-N 3.17Å
643E55.2Low73.1Confident163 Ų16370.9 Ų70.976%0.76238%0.379SS*.THydrogen-bonded Turntrans-71.8-24.8174.3-61.6-177.7-178.800112.8S641S641-E643 PolarHBondContact O-N 2.84Å
644H61Low73.2Confident125 Ų12574.1 Ų74.158%0.57939%0.394SS*.THydrogen-bonded Turntrans-88.7-10.9177.5-98.865.8000113.6A639 S641 P642 Q646 G647 A650A639-H644 HydrophobicContact CB-CB 4.47Å; S641-H644 PolarHBondContact O-N 3.47Å; P642-H644 VanDerWaalsContact C-N 3.31Å; H644-Q646 PolarHBondContact O-N 3.38Å; H644-G647 PolarHBondContact O-N 2.92Å; H644-A650 VanDerWaalsContact O-CB 3.24Å; H644-A650 WeakPolarHBondContact O-CB 3.35Å
645E62Low73.4Confident114 Ų11476.3 Ų76.353%0.53340%0.404SS..THydrogen-bonded Turntrans-61.2-29.4178-72.6178.1-178.600112.6A639 S641 P642 A650A639-E645 HydrophobicContact CB-CB 4.41Å; A639-E645 HydrophobicContact CB-CG 3.61Å; S641-E645 PolarHBondContact O-N 3.33Å; P642-E645 PolarHBondContact O-N 3.17Å; E645-A650 WeakPolarHBondContact O-CB 3.24Å
646Q63.6Low73.5Confident174 Ų17476.2 Ų76.281%0.81340%0.404SS*.THydrogen-bonded Turntrans-92.74.4178.2-66.1173.8-4.700113.4H644H644-Q646 PolarHBondContact O-N 3.38Å
647G76Confident73.8Confident18 Ų1876.2 Ų76.219%0.18640%0.404CS..SBendtrans-65.2148.2176.800000111.9H644 E649 A650 L651H644-G647 PolarHBondContact O-N 2.92Å; G647-E649 PolarHBondContact O-N 3.17Å; G647-E649 VanDerWaalsContact O-N 3.15Å; G647-A650 PolarHBondContact O-N 2.82Å; G647-A650 VanDerWaalsContact O-N 3.07Å; G647-L651 PolarHBondContact O-N 3.28Å; G647-L651 VanDerWaalsContact O-N 3.1Å
648P75.9Confident74.1Confident120 Ų12077.5 Ų77.578%0.77941%0.413SS*.Hα-helixtrans-60.9-26.5177.625.7-34.6000112.6L652P648-L652 PolarHBondContact O-N 2.83Å
649E76.3Confident74.7Confident132 Ų13277.3 Ų77.362%0.61741%0.41SS*.Hα-helixtrans-74.2-39.7175-17017517600112.3G647 L652 Q653G647-E649 PolarHBondContact O-N 3.17Å; G647-E649 VanDerWaalsContact O-N 3.15Å; E649-L652 WeakPolarHBondContact O-CB 3.16Å; E649-L652 PolarHBondContact O-N 3.3Å; E649-Q653 VanDerWaalsContact O-CG 3.25Å; E649-Q653 WeakPolarHBondContact O-CG 3.38Å; E649-Q653 PolarHBondContact O-N 2.91Å; E649-Q653 PolarHBondContact OE1-NE2 3.07Å
650A78.1Confident75.6Confident16 Ų1675.7 Ų75.713%0.13240%0.397CS..Hα-helixtrans-65.4-41.5176.600000111.3H644 E645 G647 L652 Q653 Q654H644-A650 VanDerWaalsContact O-CB 3.24Å; H644-A650 WeakPolarHBondContact O-CB 3.35Å; E645-A650 WeakPolarHBondContact O-CB 3.24Å; G647-A650 PolarHBondContact O-N 2.82Å; G647-A650 VanDerWaalsContact O-N 3.07Å; A650-L652 VanDerWaalsContact C-N 3.35Å; A650-L652 PolarHBondContact O-N 3.42Å; A650-Q653 PolarHBondContact O-N 3.1Å; A650-Q654 WeakPolarHBondContact O-CB 3.49Å; A650-Q654 PolarHBondContact O-N 2.87Å
651L81.1Confident76.7Confident77 Ų7771.3 Ų71.340%0.40337%0.371SS..Hα-helixtrans-61.6-41.7173.4-67.3176.3000112G647 Q654 H655G647-L651 PolarHBondContact O-N 3.28Å; G647-L651 VanDerWaalsContact O-N 3.1Å; L651-Q654 PolarHBondContact O-N 3.29Å; L651-H655 PolarHBondContact O-CD2 3.05Å; L651-H655 PolarHBondContact O-N 3.44Å
652L83.8Confident78Confident65 Ų6573 Ų7334%0.3438%0.377SS..Hα-helixtrans-61.5-45.5175.2179.767.8000111.4A605 P648 E649 A650 Q654 H655 I656A605-L652 HydrophobicContact CB-CD1 3.69Å; P648-L652 PolarHBondContact O-N 2.83Å; E649-L652 WeakPolarHBondContact O-CB 3.16Å; E649-L652 PolarHBondContact O-N 3.3Å; A650-L652 VanDerWaalsContact C-N 3.35Å; A650-L652 PolarHBondContact O-N 3.42Å; L652-Q654 VanDerWaalsContact C-N 3.34Å; L652-H655 PolarHBondContact O-N 3.19Å; L652-I656 HydrophobicContact CD1-CD1 4.36Å; L652-I656 HydrophobicContact CG-CD1 4.07Å; L652-I656 VanDerWaalsContact O-CG1 3.3Å; L652-I656 WeakPolarHBondContact O-CG1 3.45Å; L652-I656 PolarHBondContact O-N 3.49Å
653Q84.9Confident79.3Confident26 Ų2668.5 Ų68.512%0.12135%0.348CS..Hα-helixtrans-64.4-38.1178.4-69.8169.8-300111.6L635 R637 E649 A650 I656 A657L635-Q653 WeakPolarHBondContact O-CG 3.45Å; R637-Q653 PolarHBondContact O-OE1 3.41Å; R637-Q653 VanDerWaalsContact O-OE1 3.11Å; E649-Q653 VanDerWaalsContact O-CG 3.25Å; E649-Q653 WeakPolarHBondContact O-CG 3.38Å; E649-Q653 PolarHBondContact O-N 2.91Å; E649-Q653 PolarHBondContact OE1-NE2 3.07Å; A650-Q653 PolarHBondContact O-N 3.1Å; Q653-I656 PolarHBondContact O-N 3.3Å; Q653-A657 WeakPolarHBondContact O-CB 3.39Å; Q653-A657 PolarHBondContact O-N 3.14Å
654Q85.6Confident80.7Confident75 Ų7561.5 Ų61.535%0.3532%0.316SS..Hα-helixtrans-62.8-46.7172.8-177.1-177.30.500111.6A650 L651 L652 I656 A657 Q658A650-Q654 WeakPolarHBondContact O-CB 3.49Å; A650-Q654 PolarHBondContact O-N 2.87Å; L651-Q654 PolarHBondContact O-N 3.29Å; L652-Q654 VanDerWaalsContact C-N 3.34Å; Q654-I656 VanDerWaalsContact C-N 3.3Å; Q654-I656 PolarHBondContact O-N 3.04Å; Q654-A657 PolarHBondContact O-N 3.41Å; Q654-Q658 PolarHBondContact O-N 2.88Å
655H87.4Confident81.7Confident112 Ų11259 Ų5952%0.51931%0.307SS..Hα-helixtrans-61.6-38176.6-76-57.6000112.6L651 L652 S659L651-H655 PolarHBondContact O-CD2 3.05Å; L651-H655 PolarHBondContact O-N 3.44Å; L652-H655 PolarHBondContact O-N 3.19Å; H655-S659 WeakPolarHBondContact O-CB 3.49Å; H655-S659 PolarHBondContact O-N 3.36Å; H655-S659 PolarHBondContact O-OG 3.36Å
656I87.4Confident82.7Confident8 Ų857.8 Ų57.84%0.04130%0.302CS..Hα-helixtrans-67.9-43.7175.1-66166.1000110.4A605 V608 L635 T636 L652 Q653 Q654 Q658 S659 V660A605-I656 HydrophobicContact CB-CG1 4.03Å; V608-I656 HydrophobicContact CG1-CG2 4.05Å; L635-I656 HydrophobicContact CB-CG2 4.27Å; T636-I656 HydrophobicContact CG2-CB 4.48Å; T636-I656 HydrophobicContact CG2-CG2 3.96Å; L652-I656 HydrophobicContact CD1-CD1 4.36Å; L652-I656 HydrophobicContact CG-CD1 4.07Å; L652-I656 VanDerWaalsContact O-CG1 3.3Å; L652-I656 WeakPolarHBondContact O-CG1 3.45Å; L652-I656 PolarHBondContact O-N 3.49Å; Q653-I656 PolarHBondContact O-N 3.3Å; Q654-I656 VanDerWaalsContact C-N 3.3Å; Q654-I656 PolarHBondContact O-N 3.04Å; I656-Q658 VanDerWaalsContact C-N 3.34Å; I656-Q658 PolarHBondContact O-N 3.07Å; I656-S659 WeakPolarHBondContact O-CB 3.49Å; I656-S659 PolarHBondContact O-N 3.17Å; I656-V660 WeakPolarHBondContact O-CG2 3.3Å; I656-V660 PolarHBondContact O-N 2.99Å
657A87.4Confident83.3Confident0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-59.3-45.4177.300000111.6T636 Q653 Q654 S659 V660 C661 H687 L690T636-A657 HydrophobicContact CG2-CB 3.82Å; Q653-A657 WeakPolarHBondContact O-CB 3.39Å; Q653-A657 PolarHBondContact O-N 3.14Å; Q654-A657 PolarHBondContact O-N 3.41Å; A657-S659 VanDerWaalsContact C-N 3.34Å; A657-S659 PolarHBondContact O-N 3.05Å; A657-V660 WeakPolarHBondContact O-CB 3.25Å; A657-V660 PolarHBondContact O-N 3.09Å; A657-V660 VanDerWaalsContact O-N 3.17Å; A657-C661 PolarHBondContact O-N 2.83Å; A657-C661 VanDerWaalsContact O-N 3.08Å; A657-C661 PolarHBondContact O-SG 3.26Å; A657-H687 HydrophobicContact CB-CB 4.11Å; A657-L690 HydrophobicContact CB-CD1 4.22Å; A657-L690 HydrophobicContact CB-CG 4.17Å
658Q87.4Confident83.3Confident104 Ų10452.1 Ų52.149%0.48628%0.275SS..Hα-helixtrans-65.9-37176.5-167.1148.410.200112.2Q654 I656 V660 C661 D662Q654-Q658 PolarHBondContact O-N 2.88Å; I656-Q658 VanDerWaalsContact C-N 3.34Å; I656-Q658 PolarHBondContact O-N 3.07Å; Q658-V660 VanDerWaalsContact C-N 3.27Å; Q658-V660 PolarHBondContact O-N 3.23Å; Q658-C661 WeakPolarHBondContact O-CB 3.49Å; Q658-C661 PolarHBondContact O-N 3.08Å; Q658-D662 PolarHBondContact O-N 2.59Å
659S87.3Confident83.3Confident14 Ų1453.5 Ų53.510%0.09828%0.275CS..Hα-helixtrans-63-32.6173.5-60.20000112.9H655 I656 A657 V663H655-S659 WeakPolarHBondContact O-CB 3.49Å; H655-S659 PolarHBondContact O-N 3.36Å; H655-S659 PolarHBondContact O-OG 3.36Å; I656-S659 WeakPolarHBondContact O-CB 3.49Å; I656-S659 PolarHBondContact O-N 3.17Å; A657-S659 VanDerWaalsContact C-N 3.34Å; A657-S659 PolarHBondContact O-N 3.05Å; S659-V663 VanDerWaalsContact O-CG2 3.24Å; S659-V663 WeakPolarHBondContact O-CG2 3.25Å; S659-V663 PolarHBondContact O-N 3.34Å
660V86.8Confident83.2Confident2 Ų250.9 Ų50.91%0.01226%0.263CS..Hα-helixtrans-69.2-44.7173.4174.10000110.3L612 I656 A657 Q658 V663 V664 L690L612-V660 HydrophobicContact CD1-CG2 3.65Å; I656-V660 WeakPolarHBondContact O-CG2 3.3Å; I656-V660 PolarHBondContact O-N 2.99Å; A657-V660 WeakPolarHBondContact O-CB 3.25Å; A657-V660 PolarHBondContact O-N 3.09Å; A657-V660 VanDerWaalsContact O-N 3.17Å; Q658-V660 VanDerWaalsContact C-N 3.27Å; Q658-V660 PolarHBondContact O-N 3.23Å; V660-V663 PolarHBondContact O-N 3.27Å; V660-V664 WeakPolarHBondContact O-CG2 3.08Å; V660-V664 PolarHBondContact O-N 3Å; V660-V664 VanDerWaalsContact O-N 3.07Å; V660-L690 HydrophobicContact CB-CD2 4.5Å; V660-L690 HydrophobicContact CG1-CD2 4.39Å
661C86.7Confident82.8Confident22 Ų2253.3 Ų53.315%0.14928%0.278CS..Hα-helixtrans-57.5-50.5174.4-63.50000111.3A657 Q658 V663 V664 D665 L690A657-C661 PolarHBondContact O-N 2.83Å; A657-C661 VanDerWaalsContact O-N 3.08Å; A657-C661 PolarHBondContact O-SG 3.26Å; Q658-C661 WeakPolarHBondContact O-CB 3.49Å; Q658-C661 PolarHBondContact O-N 3.08Å; C661-V663 VanDerWaalsContact C-N 3.27Å; C661-V663 PolarHBondContact O-N 3.31Å; C661-V664 PolarHBondContact O-N 2.83Å; C661-V664 VanDerWaalsContact O-N 3.09Å; C661-D665 WeakPolarHBondContact O-CB 3.38Å; C661-D665 PolarHBondContact O-N 2.83Å; C661-L690 VanDerWaalsContact SG-CD2 3.6Å
662D86.5Confident82.5Confident68 Ų6849.9 Ų49.936%0.36426%0.261SS..Hα-helixtrans-52.2-45.9179.4-67-14.3000111.8K609 Q658 E666K609-D662 IonicContact NZ-OD2 2.68Å; K609-D662 PolarHBondContact NZ-OD2 3.48Å; K609-D662 VanDerWaalsContact NZ-OD2 3.08Å; Q658-D662 PolarHBondContact O-N 2.59Å; D662-E666 WeakPolarHBondContact O-CB 3.48Å; D662-E666 PolarHBondContact O-N 2.83Å
663V85.9Confident82.4Confident4 Ų447.9 Ų47.92%0.02425%0.25CS..Hα-helixtrans-70.8-37.1-177.5174.40000111.4Q613 F616 S659 V660 C661 V667Q613-V663 HydrophobicContact CG-CG2 3.71Å; F616-V663 HydrophobicContact CB-CG1 3.76Å; F616-V663 HydrophobicContact CD1-CG1 4.32Å; F616-V663 HydrophobicContact CD2-CB 4.46Å; F616-V663 HydrophobicContact CD2-CG1 3.21Å; F616-V663 HydrophobicContact CE2-CG1 3.77Å; F616-V663 HydrophobicContact CG-CG1 3.52Å; F616-V663 HydrophobicContact CZ-CG1 4.49Å; S659-V663 VanDerWaalsContact O-CG2 3.24Å; S659-V663 WeakPolarHBondContact O-CG2 3.25Å; S659-V663 PolarHBondContact O-N 3.34Å; V660-V663 PolarHBondContact O-N 3.27Å; C661-V663 VanDerWaalsContact C-N 3.27Å; C661-V663 PolarHBondContact O-N 3.31Å; V663-V667 VanDerWaalsContact O-CG2 3.24Å; V663-V667 WeakPolarHBondContact O-CG2 3.3Å; V663-V667 PolarHBondContact O-N 3.17Å
664V83.8Confident82.5Confident16 Ų1647 Ų4710%0.09725%0.247CC..Hα-helixtrans-72.2-40.3177.1178.10000111F616 V660 C661 E666 V667 V668 L676 L698F616-V664 HydrophobicContact CE1-CG2 4.37Å; F616-V664 HydrophobicContact CZ-CG2 3.96Å; V660-V664 WeakPolarHBondContact O-CG2 3.08Å; V660-V664 PolarHBondContact O-N 3Å; V660-V664 VanDerWaalsContact O-N 3.07Å; C661-V664 PolarHBondContact O-N 2.83Å; C661-V664 VanDerWaalsContact O-N 3.09Å; V664-E666 VanDerWaalsContact C-N 3.3Å; V664-E666 PolarHBondContact O-N 3.45Å; V664-V667 WeakPolarHBondContact O-CB 3.37Å; V664-V667 PolarHBondContact O-N 2.84Å; V664-V667 VanDerWaalsContact O-N 3.1Å; V664-V668 HydrophobicContact CG1-CG2 4.36Å; V664-V668 WeakPolarHBondContact O-CG2 3.26Å; V664-V668 PolarHBondContact O-N 2.85Å; V664-L676 HydrophobicContact CG2-CD2 3.8Å; V664-L698 HydrophobicContact CB-CD1 3.51Å; V664-L698 HydrophobicContact CG1-CD1 3.36Å; V664-L698 HydrophobicContact CG2-CD1 3.99Å
665D82.7Confident82.6Confident72 Ų7243.4 Ų43.439%0.38523%0.23SC..Hα-helixtrans-61.2-40175.2-71-22.7000111.1C661 V667 V668 L669C661-D665 WeakPolarHBondContact O-CB 3.38Å; C661-D665 PolarHBondContact O-N 2.83Å; D665-V667 VanDerWaalsContact C-N 3.33Å; D665-V667 PolarHBondContact O-N 2.98Å; D665-V668 PolarHBondContact O-N 3.47Å; D665-L669 WeakPolarHBondContact O-CB 3.39Å; D665-L669 VanDerWaalsContact O-CG 3.25Å; D665-L669 WeakPolarHBondContact O-CG 3.36Å; D665-L669 PolarHBondContact O-N 3.02Å
666E82.3Confident82.7Confident89 Ų8938.3 Ų38.342%0.41621%0.207SC..Hα-helixtrans-59.1-42.4172.5-174.7174.9-174.800112D662 V664 L669 H670D662-E666 WeakPolarHBondContact O-CB 3.48Å; D662-E666 PolarHBondContact O-N 2.83Å; V664-E666 VanDerWaalsContact C-N 3.3Å; V664-E666 PolarHBondContact O-N 3.45Å; E666-L669 PolarHBondContact O-N 3.29Å; E666-H670 VanDerWaalsContact O-CG 3.29Å; E666-H670 PolarHBondContact O-N 3.38Å; E666-H670 PolarHBondContact O-ND1 2.64Å; E666-H670 IonicContact OE1-CE1 3.27Å
667V76.6Confident83Confident13 Ų1337.9 Ų37.98%0.07921%0.205CC..Hα-helixtrans-68.3-37.7178.1173.50000111.9F616 V663 V664 D665 H670 S671 S672 V674F616-V667 HydrophobicContact CB-CG2 4.14Å; F616-V667 HydrophobicContact CD1-CG2 3.67Å; F616-V667 HydrophobicContact CE1-CG2 4.4Å; F616-V667 HydrophobicContact CG-CG2 4.21Å; V663-V667 VanDerWaalsContact O-CG2 3.24Å; V663-V667 WeakPolarHBondContact O-CG2 3.3Å; V663-V667 PolarHBondContact O-N 3.17Å; V664-V667 WeakPolarHBondContact O-CB 3.37Å; V664-V667 PolarHBondContact O-N 2.84Å; V664-V667 VanDerWaalsContact O-N 3.1Å; D665-V667 VanDerWaalsContact C-N 3.33Å; D665-V667 PolarHBondContact O-N 2.98Å; V667-H670 PolarHBondContact O-N 3.04Å; V667-S671 PolarHBondContact O-N 3.31Å; V667-S672 PolarHBondContact O-N 3.28Å; V667-V674 HydrophobicContact CG1-CB 3.92Å; V667-V674 HydrophobicContact CG1-CG2 4.02Å
668V76Confident83.2Confident60 Ų6038 Ų3836%0.36421%0.205SC..Hα-helixtrans-66.5-43.4175.2173.40000110.4V664 D665 H670 S671V664-V668 HydrophobicContact CG1-CG2 4.36Å; V664-V668 WeakPolarHBondContact O-CG2 3.26Å; V664-V668 PolarHBondContact O-N 2.85Å; D665-V668 PolarHBondContact O-N 3.47Å; V668-H670 VanDerWaalsContact C-N 3.26Å; V668-H670 PolarHBondContact O-N 3.11Å; V668-S671 WeakPolarHBondContact O-CA 3.48Å; V668-S671 PolarHBondContact O-N 2.51Å
669L76.5Confident83.4Confident148 Ų14833 Ų3378%0.77518%0.182SC*.Hα-helixtrans-59.7-35.7174.8-74.6169.7000112.5D665 E666 S671D665-L669 WeakPolarHBondContact O-CB 3.39Å; D665-L669 VanDerWaalsContact O-CG 3.25Å; D665-L669 WeakPolarHBondContact O-CG 3.36Å; D665-L669 PolarHBondContact O-N 3.02Å; E666-L669 PolarHBondContact O-N 3.29Å; L669-S671 PolarHBondContact O-N 3.05Å
670H73.3Confident83.6Confident78 Ų7832.3 Ų32.336%0.36118%0.177SC..THydrogen-bonded Turntrans-75-5.1175.3-64.4149.1000113.8E666 V667 V668 S672E666-H670 VanDerWaalsContact O-CG 3.29Å; E666-H670 PolarHBondContact O-N 3.38Å; E666-H670 PolarHBondContact O-ND1 2.64Å; E666-H670 IonicContact OE1-CE1 3.27Å; V667-H670 PolarHBondContact O-N 3.04Å; V668-H670 VanDerWaalsContact C-N 3.26Å; V668-H670 PolarHBondContact O-N 3.11Å; H670-S672 PolarHBondContact O-N 2.92Å
671S69.4Low83.6Confident66 Ų6635.2 Ų35.246%0.46219%0.19SC..THydrogen-bonded Turntrans56.234-178.371.80000113.5V667 V668 L669V667-S671 PolarHBondContact O-N 3.31Å; V668-S671 WeakPolarHBondContact O-CA 3.48Å; V668-S671 PolarHBondContact O-N 2.51Å; L669-S671 PolarHBondContact O-N 3.05Å
672S75.9Confident83.3Confident6 Ų636.4 Ų36.44%0.04220%0.199CC..  trans-79.8144.4-171.9-76.30000112.7E620 Q623 V667 H670 V674E620-S672 PolarHBondContact OE1-OG 3.49Å; Q623-S672 PolarHBondContact NE2-OG 3.47Å; V667-S672 PolarHBondContact O-N 3.28Å; H670-S672 PolarHBondContact O-N 2.92Å; S672-V674 PolarHBondContact O-N 3.08Å
673L80.5Confident83.1Confident22 Ų2237 Ų3712%0.11520%0.2CC..  trans-82.861.9178.7-63.4174000111.8L543 Q623 P624 S625L543-L673 HydrophobicContact CD1-CD2 3.58Å; L543-L673 HydrophobicContact CG-CD2 3.88Å; Q623-L673 HydrophobicContact CB-CB 4.46Å; Q623-L673 VanDerWaalsContact CD-N 3.33Å; Q623-L673 HydrophobicContact CG-CB 4.34Å; P624-L673 WeakPolarHBondContact CA-O 3.36Å; P624-L673 HydrophobicContact CB-CB 4.32Å; S625-L673 PolarHBondContact N-O 3.49Å
674V86.5Confident82.8Confident7 Ų744.8 Ų44.84%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-116.7123.6179.7-172.70000109.2G560 F616 A619 Q623 S625 V627 V667 S672G560-V674 WeakPolarHBondContact CA-O 3.32Å; F616-V674 HydrophobicContact CD1-CG1 4.44Å; A619-V674 HydrophobicContact CB-CG1 4.11Å; Q623-V674 HydrophobicContact CG-CG2 4.18Å; S625-V674 WeakPolarHBondContact O-CA 3.44Å; S625-V674 WeakPolarHBondContact OG-CG2 3.48Å; V627-V674 HydrophobicContact CG2-CG1 3.78Å; V667-V674 HydrophobicContact CG1-CB 3.92Å; V667-V674 HydrophobicContact CG1-CG2 4.02Å; S672-V674 PolarHBondContact O-N 3.08Å
675C88.3Confident82.7Confident0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-103.5133.4173.5-179.70000110.1A541 L542 G561 S625 V626 V627A541-C675 HydrophobicContact CB-CB 4.26Å; L542-C675 HydrophobicContact CD2-CB 3.81Å; L542-C675 HydrophobicContact CG-CB 4.08Å; G561-C675 PolarHBondContact O-SG 3.19Å; S625-C675 PolarHBondContact O-N 3.23Å; V626-C675 CarbonylContact C-O 3.56Å; V626-C675 WeakPolarHBondContact CA-O 3.45Å; V627-C675 PolarHBondContact N-O 3.01Å
676L90.3Very high82.8Confident5 Ų541.3 Ų41.33%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-101.6131.1179.6-175.963.3000109.8G561 A562 L563 F616 V627 L629 V664 I678G561-L676 PolarHBondContact O-N 3.47Å; A562-L676 CarbonylContact C-O 3.58Å; A562-L676 VanDerWaalsContact CA-O 3.23Å; A562-L676 WeakPolarHBondContact CA-O 3.39Å; A562-L676 HydrophobicContact CB-CB 3.9Å; A562-L676 HydrophobicContact CB-CD2 3.96Å; A562-L676 HydrophobicContact CB-CG 4.17Å; L563-L676 PolarHBondContact N-O 2.87Å; F616-L676 HydrophobicContact CE1-CD1 4.44Å; F616-L676 HydrophobicContact CZ-CD1 3.87Å; F616-L676 HydrophobicContact CZ-CD2 4.44Å; V627-L676 HydrophobicContact CB-CD1 4.03Å; V627-L676 HydrophobicContact CG1-CD1 3.96Å; V627-L676 CarbonylContact O-C 3.49Å; V627-L676 WeakPolarHBondContact O-CA 3.48Å; L629-L676 HydrophobicContact CD1-CD1 3.87Å; L629-L676 HydrophobicContact CD1-CD2 4.49Å; L629-L676 HydrophobicContact CG-CD1 3.84Å; V664-L676 HydrophobicContact CG2-CD2 3.8Å; L676-I678 HydrophobicContact CD2-CD1 3.85Å; L676-I678 HydrophobicContact CD2-CG1 4.03Å; L676-I678 HydrophobicContact CG-CD1 4.28Å; L676-I678 HydrophobicContact CG-CG1 3.91Å
677I92.5Very high82.9Confident0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-115.2125.6170.8-57.2176.7000107.4I538 L563 I565 A577 V626 V627 L628 L629I538-I677 HydrophobicContact CD1-CD1 3.7Å; I538-I677 HydrophobicContact CG1-CD1 4.37Å; L563-I677 WeakPolarHBondContact O-CA 3.36Å; I565-I677 HydrophobicContact CD1-CG2 3.88Å; I565-I677 HydrophobicContact CG1-CG2 4.5Å; A577-I677 HydrophobicContact CB-CG2 4.19Å; V626-I677 HydrophobicContact CG1-CD1 3.54Å; V626-I677 HydrophobicContact CG1-CG1 3.95Å; V627-I677 PolarHBondContact O-N 3.45Å; L628-I677 CarbonylContact C-O 3.52Å; L628-I677 WeakPolarHBondContact CA-O 3.3Å; L628-I677 HydrophobicContact CD1-CB 3.87Å; L628-I677 HydrophobicContact CD1-CG2 3.66Å; L629-I677 PolarHBondContact N-O 2.89Å
678I92.1Very high83Confident1 Ų140.3 Ų40.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-117.2135.2-179.9-54.4176.7000107.7A562 L563 L564 I565 L632 L676 I699A562-I678 HydrophobicContact CB-CD1 4.26Å; L563-I678 PolarHBondContact O-N 3.21Å; L564-I678 WeakPolarHBondContact CA-O 3.32Å; L564-I678 HydrophobicContact CD1-CB 3.87Å; L564-I678 HydrophobicContact CD1-CG2 3.65Å; I565-I678 PolarHBondContact N-O 3.4Å; L632-I678 HydrophobicContact CB-CG2 3.81Å; L632-I678 HydrophobicContact CD2-CD1 4.33Å; L632-I678 HydrophobicContact CD2-CG2 3.59Å; L632-I678 HydrophobicContact CG-CG2 4.34Å; L676-I678 HydrophobicContact CD2-CD1 3.85Å; L676-I678 HydrophobicContact CD2-CG1 4.03Å; L676-I678 HydrophobicContact CG-CD1 4.28Å; L676-I678 HydrophobicContact CG-CG1 3.91Å; I678-I699 HydrophobicContact CD1-CG1 4.41Å
679T92.8Very high83.2Confident0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans-113.7137.7170.957.30000110.6I565 K573 A577 L628 L629 D630 D631 L632I565-T679 HydrophobicContact CB-CG2 4.27Å; I565-T679 WeakPolarHBondContact O-CA 3.43Å; K573-T679 HydrophobicContact CB-CG2 4.5Å; A577-T679 HydrophobicContact CB-CG2 3.6Å; L628-T679 HydrophobicContact CD1-CG2 4.28Å; L629-T679 PolarHBondContact O-N 3.26Å; L629-T679 VanDerWaalsContact O-N 3.09Å; L629-T679 PolarHBondContact O-OG1 2.81Å; D630-T679 VanDerWaalsContact CA-OG1 3.28Å; D630-T679 WeakPolarHBondContact CA-OG1 3.24Å; D630-T679 PolarHBondContact OD1-OG1 2.58Å; D630-T679 VanDerWaalsContact OD1-OG1 3.06Å; D631-T679 PolarHBondContact N-OG1 3.28Å; L632-T679 PolarHBondContact N-O 2.99Å
680S90.4Very high83.3Confident0 Ų032.8 Ų32.80%018%0.178CC..  trans-147.8159.7-176.8172.20000110.8I565 T566 G567 K573 D633 S682I565-S680 PolarHBondContact O-N 3.14Å; T566-S680 WeakPolarHBondContact CA-O 3.45Å; G567-S680 PolarHBondContact N-O 3.39Å; K573-S680 WeakPolarHBondContact CD-O 3.26Å; K573-S680 WeakPolarHBondContact CE-O 3.49Å; D633-S680 VanDerWaalsContact CG-OG 3.26Å; D633-S680 WeakPolarHBondContact OD1-CB 3.31Å; D633-S680 PolarHBondContact OD1-OG 2.77Å; D633-S680 WeakPolarHBondContact OD2-CA 3.41Å; D633-S680 PolarHBondContact OD2-OG 3.18Å; S680-S682 PolarHBondContact OG-N 3.25Å; S680-S682 PolarHBondContact OG-O 2.98Å; S680-S682 VanDerWaalsContact OG-O 3.05Å
681Q86Confident83.4Confident63 Ų6332 Ų3229%0.29418%0.178SC..SBendtrans-71.9-45.3174.5-175.5177-700110.9G567 K569 D633G567-Q681 CarbonylContact C-O 3.59Å; G567-Q681 VanDerWaalsContact C-O 3.26Å; G567-Q681 PolarHBondContact N-O 2.91Å; G567-Q681 CarbonylContact O-C 3.58Å; G567-Q681 WeakPolarHBondContact O-CA 3.39Å; K569-Q681 HydrophobicContact CG-CG 4.41Å; D633-Q681 WeakPolarHBondContact OD2-CB 3.24Å; D633-Q681 PolarHBondContact OD2-N 3.45Å
682S82.3Confident83.4Confident47 Ų4734 Ų3433%0.32918%0.18SC..  trans-157.6155.1-179.3570000109.8S680 H684 S685S680-S682 PolarHBondContact OG-N 3.25Å; S680-S682 PolarHBondContact OG-O 2.98Å; S680-S682 VanDerWaalsContact OG-O 3.05Å; S682-H684 PolarHBondContact O-N 2.95Å; S682-S685 VanDerWaalsContact O-CB 3.32Å; S682-S685 WeakPolarHBondContact O-CB 3.47Å; S682-S685 PolarHBondContact O-N 3.49Å; S682-S685 WeakPolarHBondContact OG-CB 3.34Å; S682-S685 PolarHBondContact OG-N 3.18Å
683E81.5Confident82.7Confident80 Ų8039.9 Ų39.937%0.37421%0.21SC..G310 helixtrans-55-42177.5-60.8176-171.500111.4L564 T566 S685 L686L564-E683 HydrophobicContact CD2-CG 4.33Å; T566-E683 HydrophobicContact CG2-CG 3.93Å; E683-S685 PolarHBondContact O-N 2.72Å; E683-L686 PolarHBondContact O-N 3.22Å
684H79.6Confident81.4Confident167 Ų16747 Ų4777%0.77324%0.242SC*.G310 helixtrans-71.5-9.3177-53.1-55.9000115A638 S682 L686A638-H684 WeakPolarHBondContact CB-O 3.28Å; S682-H684 PolarHBondContact O-N 2.95Å; H684-L686 VanDerWaalsContact C-N 3.32Å
685S81.5Confident80.2Confident12 Ų1249.4 Ų49.48%0.08427%0.269CS..G310 helixtrans-80-20.9176.9-173.70000111.7R637 A638 S682 E683R637-S685 CarbonylContact C-O 3.57Å; R637-S685 VanDerWaalsContact CA-O 3.3Å; R637-S685 WeakPolarHBondContact CA-O 3.49Å; A638-S685 PolarHBondContact N-O 3.13Å; S682-S685 VanDerWaalsContact O-CB 3.32Å; S682-S685 WeakPolarHBondContact O-CB 3.47Å; S682-S685 PolarHBondContact O-N 3.49Å; S682-S685 WeakPolarHBondContact OG-CB 3.34Å; S682-S685 PolarHBondContact OG-N 3.18Å; E683-S685 PolarHBondContact O-N 2.72Å
686L84.4Confident78.9Confident3 Ų354 Ų542%0.01630%0.301CS..BIsolated β-bridgetrans-86.7147.3178.6-67.4175.5000110.4L564 L632 D633 T636 E683 H684L564-L686 HydrophobicContact CD1-CD1 3.71Å; L564-L686 HydrophobicContact CD2-CD1 4.14Å; L632-L686 HydrophobicContact CB-CD2 4.27Å; L632-L686 HydrophobicContact CD2-CD2 4.27Å; L632-L686 HydrophobicContact CG-CD2 4.24Å; D633-L686 VanDerWaalsContact OD1-CD2 3.24Å; D633-L686 WeakPolarHBondContact OD1-CD2 3.33Å; T636-L686 WeakPolarHBondContact O-CA 3.32Å; E683-L686 PolarHBondContact O-N 3.22Å; H684-L686 VanDerWaalsContact C-N 3.32Å
687H85.4Confident77.9Confident33 Ų3359 Ų5915%0.15332%0.324CS..  trans-56.7135.6175.7-173.7-88.8000110.9T636 A657 S689 L690T636-H687 PolarHBondContact O-N 2.96Å; A657-H687 HydrophobicContact CB-CB 4.11Å; H687-S689 VanDerWaalsContact ND1-CB 3.32Å; H687-S689 WeakPolarHBondContact ND1-CB 3.05Å; H687-S689 PolarHBondContact ND1-N 2.83Å; H687-S689 VanDerWaalsContact ND1-N 3.14Å; H687-S689 PolarHBondContact ND1-OG 2.81Å; H687-S689 PolarHBondContact O-N 3.35Å; H687-L690 PolarHBondContact O-N 2.62Å
688P78.9Confident77Confident49 Ų4960.2 Ų60.232%0.31833%0.33SS..Hα-helixtrans-56.6-29.4-17418.3-31.9000113.5L690 T691 E692P688-L690 PolarHBondContact O-N 3.3Å; P688-L690 VanDerWaalsContact O-N 3.1Å; P688-T691 WeakPolarHBondContact CA-OG1 3.49Å; P688-T691 CarbonylContact O-C 3.55Å; P688-T691 PolarHBondContact O-N 3.2Å; P688-T691 PolarHBondContact O-OG1 3.03Å; P688-E692 HydrophobicContact CB-CG 4.11Å; P688-E692 VanDerWaalsContact O-CB 3.26Å; P688-E692 WeakPolarHBondContact O-CB 3.45Å; P688-E692 WeakPolarHBondContact O-CG 2.92Å; P688-E692 PolarHBondContact O-N 3.32Å
689S78.9Confident76.5Confident43 Ų4360.5 Ų60.530%0.30133%0.332SS..Hα-helixtrans-59.2-23.1176.6700000115H687H687-S689 VanDerWaalsContact ND1-CB 3.32Å; H687-S689 WeakPolarHBondContact ND1-CB 3.05Å; H687-S689 PolarHBondContact ND1-N 2.83Å; H687-S689 VanDerWaalsContact ND1-N 3.14Å; H687-S689 PolarHBondContact ND1-OG 2.81Å; H687-S689 PolarHBondContact O-N 3.35Å
690L79.4Confident76Confident7 Ų764.7 Ų64.74%0.03735%0.352CS..Hα-helixtrans-83.5-20.4175.2-66.3169.3000112.1L632 T636 A657 V660 C661 H687 P688 L698L632-L690 HydrophobicContact CD2-CD1 4.21Å; T636-L690 HydrophobicContact CG2-CD1 4.19Å; T636-L690 WeakPolarHBondContact OG1-CD1 3.34Å; A657-L690 HydrophobicContact CB-CD1 4.22Å; A657-L690 HydrophobicContact CB-CG 4.17Å; V660-L690 HydrophobicContact CB-CD2 4.5Å; V660-L690 HydrophobicContact CG1-CD2 4.39Å; C661-L690 VanDerWaalsContact SG-CD2 3.6Å; H687-L690 PolarHBondContact O-N 2.62Å; P688-L690 PolarHBondContact O-N 3.3Å; P688-L690 VanDerWaalsContact O-N 3.1Å; L690-L698 HydrophobicContact CD2-CD2 3.55Å
691T75.8Confident75.6Confident60 Ų6065.1 Ų65.137%0.36836%0.356SS..Hα-helixtrans-109.1-24.2-175.557.40000113.4P688P688-T691 WeakPolarHBondContact CA-OG1 3.49Å; P688-T691 CarbonylContact O-C 3.55Å; P688-T691 PolarHBondContact O-N 3.2Å; P688-T691 PolarHBondContact O-OG1 3.03Å
692E68.6Low75.7Confident109 Ų10967.4 Ų67.451%0.50937%0.365SS..SBendtrans-71.1145.1-176.9-85.2-176.8-171.600111.6P688 Q694P688-E692 HydrophobicContact CB-CG 4.11Å; P688-E692 VanDerWaalsContact O-CB 3.26Å; P688-E692 WeakPolarHBondContact O-CB 3.45Å; P688-E692 WeakPolarHBondContact O-CG 2.92Å; P688-E692 PolarHBondContact O-N 3.32Å; E692-Q694 VanDerWaalsContact C-N 3.28Å; E692-Q694 PolarHBondContact O-N 3.34Å
693I61.4Low76Confident130 Ų13065.7 Ų65.767%0.66735%0.353SS*.  trans-86.768.5-173-48.2170.5000108.9G695I693-G695 PolarHBondContact O-N 3.03Å
694Q52.7Low76.3Confident170 Ų17065.8 Ų65.879%0.79436%0.356SS*.SBendtrans-96.866.7169.5-64.7-168.77.800109.9E692E692-Q694 VanDerWaalsContact C-N 3.28Å; E692-Q694 PolarHBondContact O-N 3.34Å
695G62.4Low76.7Confident58 Ų5858.3 Ų58.360%0.59832%0.321SS*.SBendtrans102.5-128.7177.600000114.2I693I693-G695 PolarHBondContact O-N 3.03Å
696S59.6Low76.6Confident97 Ų9765.2 Ų65.268%0.67835%0.35SS*.SBendtrans-70.8126.5177.446.50000110.5L698S696-L698 PolarHBondContact O-N 2.82Å; S696-L698 VanDerWaalsContact O-N 3.11Å
697H68.9Low76.3Confident109 Ų10970 Ų7051%0.50538%0.381SS..  trans-59.4115.9177.6-60-75.4000110.8I699H697-I699 VanDerWaalsContact C-N 3.31Å
698L74.4Confident76.1Confident26 Ų2669.3 Ų69.314%0.13638%0.38CS..SBendtrans-57.4-49.5171-17677000109.8A562 V664 L690 S696A562-L698 WeakPolarHBondContact CB-O 3.27Å; A562-L698 PolarHBondContact N-O 3.3Å; V664-L698 HydrophobicContact CB-CD1 3.51Å; V664-L698 HydrophobicContact CG1-CD1 3.36Å; V664-L698 HydrophobicContact CG2-CD1 3.99Å; L690-L698 HydrophobicContact CD2-CD2 3.55Å; S696-L698 PolarHBondContact O-N 2.82Å; S696-L698 VanDerWaalsContact O-N 3.11Å
699I82.1Confident76.3Confident8 Ų872.1 Ų72.14%0.04139%0.392CS..EExtended strand (participates in β ladder)trans-97.7113.8177.7-55.5174.4000108.8A562 L564 I678 H697 F702A562-I699 HydrophobicContact CB-CG1 4.4Å; L564-I699 HydrophobicContact CB-CD1 4.25Å; L564-I699 HydrophobicContact CB-CG2 3.52Å; L564-I699 HydrophobicContact CD1-CD1 4.5Å; L564-I699 HydrophobicContact CD2-CD1 4.1Å; I678-I699 HydrophobicContact CD1-CG1 4.41Å; H697-I699 VanDerWaalsContact C-N 3.31Å; I699-F702 HydrophobicContact CB-CE1 4.47Å; I699-F702 HydrophobicContact CB-CZ 4.14Å; I699-F702 HydrophobicContact CG2-CD1 4.23Å; I699-F702 HydrophobicContact CG2-CE1 3.71Å; I699-F702 HydrophobicContact CG2-CE2 4.12Å; I699-F702 HydrophobicContact CG2-CZ 3.65Å
700Q82.7Confident76.4Confident88 Ų8873.3 Ų73.341%0.41139%0.393SS..EExtended strand (participates in β ladder)trans-102.9-29.6-177.6-60.1171.9800111.8F537 A562F537-Q700 HydrophobicContact CE2-CB 3.94Å; F537-Q700 HydrophobicContact CZ-CB 3.91Å; A562-Q700 PolarHBondContact O-N 2.85Å
701G81.8Confident76.6Confident9 Ų976.8 Ų76.89%0.09342%0.422CS..EExtended strand (participates in β ladder)trans-115.3135.8-179.600000112.2A562 L564A562-G701 PolarHBondContact O-N 2.94Å; L564-G701 PolarHBondContact N-O 2.74Å
702F87.5Confident77.1Confident111 Ų11176.8 Ų76.849%0.48742%0.418SS..EExtended strand (participates in β ladder)trans-122125.4177-62.5-92.8000110.2L564 I699L564-F702 HydrophobicContact CB-CD1 4.4Å; L564-F702 HydrophobicContact CD2-CD1 4.08Å; L564-F702 HydrophobicContact CD2-CE1 4.08Å; I699-F702 HydrophobicContact CB-CE1 4.47Å; I699-F702 HydrophobicContact CB-CZ 4.14Å; I699-F702 HydrophobicContact CG2-CD1 4.23Å; I699-F702 HydrophobicContact CG2-CE1 3.71Å; I699-F702 HydrophobicContact CG2-CE2 4.12Å; I699-F702 HydrophobicContact CG2-CZ 3.65Å
703V89.1Confident78Confident10 Ų1072.1 Ų72.16%0.06140%0.396CS..EExtended strand (participates in β ladder)trans-127105.3176.6173.70000108.5L530 L563 L564 I565 T566L530-V703 HydrophobicContact CB-CG1 4.09Å; L530-V703 HydrophobicContact CD1-CG1 4.33Å; L530-V703 HydrophobicContact CD2-CG1 4.24Å; L530-V703 HydrophobicContact CG-CG1 4.46Å; L563-V703 HydrophobicContact CD1-CG2 3.81Å; L564-V703 PolarHBondContact O-N 3.36Å; I565-V703 CarbonylContact C-O 3.57Å; I565-V703 VanDerWaalsContact CA-O 3.31Å; I565-V703 WeakPolarHBondContact CA-O 3.29Å; I565-V703 HydrophobicContact CG1-CB 4.34Å; T566-V703 PolarHBondContact N-O 2.88Å
704N87.4Confident79.2Confident82 Ų8266.7 Ų66.744%0.43937%0.371SS..EExtended strand (participates in β ladder)trans-98117.2179.1-174.88.4000111.4T566 K706T566-N704 WeakPolarHBondContact OG1-CA 3.19Å; T566-N704 WeakPolarHBondContact OG1-CB 3.09Å; T566-N704 PolarHBondContact OG1-OD1 3.25Å; N704-K706 PolarHBondContact O-N 3.35Å
705I86.9Confident80.9Confident11 Ų1160.2 Ų60.26%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-82.8101.3173.8-52.5-178000109.1L530 I565 T566 K573 L576L530-I705 HydrophobicContact CD1-CG1 4.25Å; I565-I705 HydrophobicContact CG2-CD1 3.99Å; I565-I705 HydrophobicContact CG2-CG1 4.23Å; T566-I705 WeakPolarHBondContact O-CB 3.47Å; T566-I705 PolarHBondContact O-N 3.24Å; K573-I705 HydrophobicContact CB-CD1 4.44Å; K573-I705 HydrophobicContact CG-CD1 3.91Å; L576-I705 HydrophobicContact CD2-CD1 3.68Å; L576-I705 HydrophobicContact CD2-CG1 4.3Å
706K81.1Confident82.1Confident156 Ų15658.2 Ų58.268%0.67832%0.322SS*.PPolyproline II helixtrans-69.3157.2172.8-66.6-174.5-178.8-177.10111.7N704N704-K706 PolarHBondContact O-N 3.35Å
707P77.6Confident83.4Confident103 Ų10353.6 Ų53.667%0.66929%0.289SS*.PPolyproline II helixtrans-57139.6170.824.8-34.1000110.2
708P82.1Confident84.2Confident20 Ų2051.7 Ų51.713%0.1328%0.28CS..PPolyproline II helixtrans-72.1132.9-169.528.3-34.9000112.3Q712 R713 I716 Y747P708-Q712 HydrophobicContact CB-CB 4.06Å; P708-R713 HydrophobicContact CB-CG 3.77Å; P708-R713 HydrophobicContact CG-CG 3.71Å; P708-R713 PolarHBondContact O-NH1 2.93Å; P708-I716 HydrophobicContact CB-CD1 3.97Å; P708-I716 HydrophobicContact CG-CD1 4.47Å; P708-Y747 WeakPolarHBondContact CG-O 3.18Å
709D81.4Confident84.7Confident107 Ų10755.6 Ų55.657%0.57229%0.293SS*.PPolyproline II helixtrans-66.1164.7172.7-70.2-30.6000111.9A711 Q712 R713D709-A711 VanDerWaalsContact C-N 3.31Å; D709-A711 PolarHBondContact O-N 3.01Å; D709-Q712 HydrophobicContact CB-CB 4.45Å; D709-Q712 HydrophobicContact CB-CG 4.2Å; D709-Q712 VanDerWaalsContact N-OE1 3.1Å; D709-Q712 CarbonylContact O-C 3.59Å; D709-Q712 WeakPolarHBondContact O-CA 3.47Å; D709-Q712 WeakPolarHBondContact O-CB 3.42Å; D709-Q712 PolarHBondContact O-N 3.14Å; D709-R713 WeakPolarHBondContact O-CG 3.49Å; D709-R713 PolarHBondContact O-N 2.94Å
710Q81.7Confident84.8Confident69 Ų6956.5 Ų56.532%0.32230%0.298SS..Hα-helixtrans-52.8-46.5179.3-172.1-165.9-1800112.8Q712 R713 A714 A741 M742Q710-Q712 VanDerWaalsContact C-N 3.35Å; Q710-Q712 PolarHBondContact O-N 2.9Å; Q710-R713 PolarHBondContact O-N 3.2Å; Q710-A714 PolarHBondContact O-N 2.9Å; Q710-A741 HydrophobicContact CG-CB 3.97Å; Q710-M742 HydrophobicContact CG-CG 4.38Å
711A84.1Confident84.9Confident79 Ų7952.5 Ų52.565%0.65328%0.279SS*.Hα-helixtrans-65.1-38.4177.300000112.2D709 A714 A715D709-A711 VanDerWaalsContact C-N 3.31Å; D709-A711 PolarHBondContact O-N 3.01Å; A711-A714 PolarHBondContact O-N 2.8Å; A711-A715 PolarHBondContact O-N 2.85Å
712Q86.1Confident84.8Confident60 Ų6055.8 Ų55.828%0.2830%0.295SS..Hα-helixtrans-67.3-40.6176.7-65.1176.7-13.500111.2G526 P708 D709 Q710 A715 I716G526-Q712 PolarHBondContact O-NE2 3.06Å; P708-Q712 HydrophobicContact CB-CB 4.06Å; D709-Q712 HydrophobicContact CB-CB 4.45Å; D709-Q712 HydrophobicContact CB-CG 4.2Å; D709-Q712 VanDerWaalsContact N-OE1 3.1Å; D709-Q712 CarbonylContact O-C 3.59Å; D709-Q712 WeakPolarHBondContact O-CA 3.47Å; D709-Q712 WeakPolarHBondContact O-CB 3.42Å; D709-Q712 PolarHBondContact O-N 3.14Å; Q710-Q712 VanDerWaalsContact C-N 3.35Å; Q710-Q712 PolarHBondContact O-N 2.9Å; Q712-A715 PolarHBondContact O-N 3.48Å; Q712-I716 WeakPolarHBondContact O-CB 3.48Å; Q712-I716 WeakPolarHBondContact O-CG1 3.3Å; Q712-I716 PolarHBondContact O-N 3.07Å
713R87.6Confident84.2Confident12 Ų1258.5 Ų58.55%0.04530%0.301CS..Hα-helixtrans-62.5-42.6175.2-68.2-169.7-56.4-97.76.1112P708 D709 Q710 A715 I716 L717 A741 T744 D745 L752P708-R713 HydrophobicContact CB-CG 3.77Å; P708-R713 HydrophobicContact CG-CG 3.71Å; P708-R713 PolarHBondContact O-NH1 2.93Å; D709-R713 WeakPolarHBondContact O-CG 3.49Å; D709-R713 PolarHBondContact O-N 2.94Å; Q710-R713 PolarHBondContact O-N 3.2Å; R713-A715 VanDerWaalsContact C-N 3.35Å; R713-I716 PolarHBondContact O-N 3.47Å; R713-L717 WeakPolarHBondContact O-CB 3.48Å; R713-L717 WeakPolarHBondContact O-CG 3.26Å; R713-L717 PolarHBondContact O-N 3.28Å; R713-A741 HydrophobicContact CB-CB 4.21Å; R713-A741 PolarHBondContact NE-O 3.39Å; R713-A741 PolarHBondContact NH2-O 3.19Å; R713-T744 WeakPolarHBondContact CD-O 3.44Å; R713-T744 PolarHBondContact NE-O 3.11Å; R713-D745 IonicContact CZ-OD1 2.79Å; R713-D745 IonicContact NH1-OD1 2.84Å; R713-D745 IonicContact NH2-OD1 3.34Å; R713-D745 PolarHBondContact NH2-OD1 3.07Å; R713-L752 HydrophobicContact CB-CD1 4.03Å; R713-L752 HydrophobicContact CG-CD1 4.04Å
714A87.1Confident83.5Confident16 Ų1661.9 Ų61.913%0.13232%0.315CS..Hα-helixtrans-60.8-44173.900000111.4Q710 A711 L717 H718 A741Q710-A714 PolarHBondContact O-N 2.9Å; A711-A714 PolarHBondContact O-N 2.8Å; A714-L717 PolarHBondContact O-N 3.31Å; A714-H718 WeakPolarHBondContact O-CB 3.23Å; A714-H718 PolarHBondContact O-N 3.37Å; A714-A741 HydrophobicContact CB-CB 4.07Å
715A86.9Confident82.3Confident34 Ų3463.3 Ų63.328%0.28133%0.329SS..Hα-helixtrans-64.2-39.7176.100000112.9A711 Q712 R713 H718 R719A711-A715 PolarHBondContact O-N 2.85Å; Q712-A715 PolarHBondContact O-N 3.48Å; R713-A715 VanDerWaalsContact C-N 3.35Å; A715-H718 PolarHBondContact O-N 3.46Å; A715-R719 WeakPolarHBondContact O-CG 3.14Å; A715-R719 PolarHBondContact O-N 3.02Å
716I88.7Confident81.2Confident16 Ų1670.1 Ų70.18%0.08236%0.359CS..Hα-helixtrans-63-49.6174.8-69.4163.1000109.9G525 P708 Q712 R713 H718 R719 L720 L752G525-I716 VanDerWaalsContact O-CG1 3.3Å; G525-I716 WeakPolarHBondContact O-CG1 3.44Å; P708-I716 HydrophobicContact CB-CD1 3.97Å; P708-I716 HydrophobicContact CG-CD1 4.47Å; Q712-I716 WeakPolarHBondContact O-CB 3.48Å; Q712-I716 WeakPolarHBondContact O-CG1 3.3Å; Q712-I716 PolarHBondContact O-N 3.07Å; R713-I716 PolarHBondContact O-N 3.47Å; I716-H718 VanDerWaalsContact C-N 3.33Å; I716-H718 PolarHBondContact O-N 3.21Å; I716-R719 PolarHBondContact O-N 3.07Å; I716-L720 HydrophobicContact CG2-CD1 3.69Å; I716-L720 HydrophobicContact CG2-CG 4.11Å; I716-L720 WeakPolarHBondContact O-CB 3.45Å; I716-L720 VanDerWaalsContact O-CG 3.26Å; I716-L720 WeakPolarHBondContact O-CG 3.23Å; I716-L720 PolarHBondContact O-N 3.37Å; I716-L752 HydrophobicContact CB-CD1 4.31Å; I716-L752 HydrophobicContact CG2-CD1 3.99Å
717L86.8Confident80.5Confident0 Ų064 Ų640%033%0.333CS..Hα-helixtrans-59.1-44.2177.6-76.6171.5000111.8R713 A714 R719 L720 I721 L737 V740 L752R713-L717 WeakPolarHBondContact O-CB 3.48Å; R713-L717 WeakPolarHBondContact O-CG 3.26Å; R713-L717 PolarHBondContact O-N 3.28Å; A714-L717 PolarHBondContact O-N 3.31Å; L717-R719 PolarHBondContact O-N 3.15Å; L717-L720 PolarHBondContact O-N 3.1Å; L717-I721 VanDerWaalsContact O-CG1 3.27Å; L717-I721 WeakPolarHBondContact O-CG1 3.28Å; L717-I721 PolarHBondContact O-N 3.44Å; L717-L737 HydrophobicContact CB-CD2 3.91Å; L717-L737 HydrophobicContact CD1-CD2 4.46Å; L717-V740 HydrophobicContact CD1-CB 4.37Å; L717-V740 HydrophobicContact CD1-CG1 3.81Å; L717-L752 HydrophobicContact CD1-CD2 4.33Å; L717-L752 HydrophobicContact CD2-CB 4.08Å; L717-L752 HydrophobicContact CD2-CD2 4.2Å; L717-L752 HydrophobicContact CG-CD1 4.42Å; L717-L752 HydrophobicContact CG-CD2 4.28Å
718H85.9Confident79.8Confident69 Ų6960.1 Ų60.132%0.31931%0.308SS..Hα-helixtrans-56.9-47.5176.1-177-90.8000111.8A714 A715 I716 I721 L722 F732 L737A714-H718 WeakPolarHBondContact O-CB 3.23Å; A714-H718 PolarHBondContact O-N 3.37Å; A715-H718 PolarHBondContact O-N 3.46Å; I716-H718 VanDerWaalsContact C-N 3.33Å; I716-H718 PolarHBondContact O-N 3.21Å; H718-I721 PolarHBondContact O-N 3.48Å; H718-L722 VanDerWaalsContact CE1-CD1 3.48Å; H718-L722 WeakPolarHBondContact CE1-CD1 3.46Å; H718-L722 WeakPolarHBondContact O-CG 3.31Å; H718-L722 PolarHBondContact O-N 3.39Å; H718-F732 AromaticContact CD2-CD1 3.9Å; H718-F732 AromaticContact CD2-CE1 3.39Å; H718-F732 WeakPolarHBondContact CD2-CE1 3.46Å; H718-F732 AromaticContact CD2-CZ 3.85Å; H718-F732 AromaticContact NE2-CE1 3.95Å; H718-L737 HydrophobicContact CB-CD1 3.93Å
719R85.1Confident78.9Confident108 Ų10866.6 Ų66.641%0.40834%0.337SS..Hα-helixtrans-69-36.9178.1-68.8-68.6-174.9-168.6-1.8113.1A715 I716 L717 I721 L722 R723A715-R719 WeakPolarHBondContact O-CG 3.14Å; A715-R719 PolarHBondContact O-N 3.02Å; I716-R719 PolarHBondContact O-N 3.07Å; L717-R719 PolarHBondContact O-N 3.15Å; R719-I721 VanDerWaalsContact C-N 3.35Å; R719-L722 PolarHBondContact O-N 3.48Å; R719-R723 PolarHBondContact O-N 3.02Å; R719-R723 VanDerWaalsContact O-N 3.08Å
720L84.3Confident77.9Confident27 Ų2766.6 Ų66.614%0.14133%0.334CS..Hα-helixtrans-65.5-37.4176.6-73.1175.2000112.1I716 L717 R723 L752 L756I716-L720 HydrophobicContact CG2-CD1 3.69Å; I716-L720 HydrophobicContact CG2-CG 4.11Å; I716-L720 WeakPolarHBondContact O-CB 3.45Å; I716-L720 VanDerWaalsContact O-CG 3.26Å; I716-L720 WeakPolarHBondContact O-CG 3.23Å; I716-L720 PolarHBondContact O-N 3.37Å; L717-L720 PolarHBondContact O-N 3.1Å; L720-R723 PolarHBondContact O-N 3.26Å; L720-L752 HydrophobicContact CD1-CB 4.35Å; L720-L756 HydrophobicContact CB-CD2 3.83Å
721I84.1Confident77Confident3 Ų363.4 Ų63.42%0.01532%0.319CS..Hα-helixtrans-65.2-49.7175.2-69.8165.5000110.1L717 H718 R719 R723 K724 L727 F732 L735 L737 L756L717-I721 VanDerWaalsContact O-CG1 3.27Å; L717-I721 WeakPolarHBondContact O-CG1 3.28Å; L717-I721 PolarHBondContact O-N 3.44Å; H718-I721 PolarHBondContact O-N 3.48Å; R719-I721 VanDerWaalsContact C-N 3.35Å; I721-R723 PolarHBondContact O-N 3.09Å; I721-K724 PolarHBondContact O-N 2.97Å; I721-K724 VanDerWaalsContact O-N 3.13Å; I721-L727 HydrophobicContact CB-CD1 4.27Å; I721-L727 HydrophobicContact CG1-CD1 4.35Å; I721-L727 HydrophobicContact CG2-CB 4.16Å; I721-L727 HydrophobicContact CG2-CD1 3.92Å; I721-F732 HydrophobicContact CB-CE1 4.34Å; I721-F732 HydrophobicContact CB-CZ 4.1Å; I721-F732 HydrophobicContact CD1-CE1 4.22Å; I721-F732 HydrophobicContact CG2-CE1 4.06Å; I721-F732 HydrophobicContact CG2-CE2 4.32Å; I721-F732 HydrophobicContact CG2-CZ 3.6Å; I721-L735 HydrophobicContact CD1-CD2 4.01Å; I721-L737 HydrophobicContact CD1-CD2 3.97Å; I721-L756 HydrophobicContact CG1-CD1 3.84Å; I721-L756 HydrophobicContact CG1-CD2 4.23Å
722L79.5Confident76.2Confident79 Ų7962.1 Ų62.141%0.41430%0.299SS..Hα-helixtrans-61-27178.4-70.6176000113.5H718 R719 F732H718-L722 VanDerWaalsContact CE1-CD1 3.48Å; H718-L722 WeakPolarHBondContact CE1-CD1 3.46Å; H718-L722 WeakPolarHBondContact O-CG 3.31Å; H718-L722 PolarHBondContact O-N 3.39Å; R719-L722 PolarHBondContact O-N 3.48Å; L722-F732 HydrophobicContact CD2-CE2 3.84Å; L722-F732 HydrophobicContact CD2-CZ 4.02Å; L722-F732 HydrophobicContact CG-CE2 4.42Å; L722-F732 HydrophobicContact CG-CZ 4.09Å
723R74.6Confident75.2Confident167 Ų16767.5 Ų67.563%0.6332%0.321SS*.Hα-helixtrans-69.9-30.4177.9-175-177.8177.3-171.9-1.9112.9L523 R719 L720 I721 P725L523-R723 HydrophobicContact CD2-CB 4.2Å; L523-R723 HydrophobicContact CD2-CG 3.76Å; R719-R723 PolarHBondContact O-N 3.02Å; R719-R723 VanDerWaalsContact O-N 3.08Å; L720-R723 PolarHBondContact O-N 3.26Å; I721-R723 PolarHBondContact O-N 3.09Å; R723-P725 WeakPolarHBondContact O-CD 3.34Å
724K75.3Confident74.2Confident81 Ų8173.3 Ų73.335%0.35235%0.353SS..SBendtrans-86.8114.9-173.7-68.5-90.6-173.2170.20108.9I721 F726 L727 E757I721-K724 PolarHBondContact O-N 2.97Å; I721-K724 VanDerWaalsContact O-N 3.13Å; K724-F726 PolarHBondContact O-N 3.18Å; K724-L727 HydrophobicContact CB-CD1 3.82Å; K724-L727 HydrophobicContact CB-CG 4.12Å; K724-L727 HydrophobicContact CG-CD1 4.39Å; K724-L727 PolarHBondContact O-N 3.41Å; K724-L727 VanDerWaalsContact O-N 3.16Å; K724-E757 IonicContact NZ-OE1 3.11Å; K724-E757 PolarHBondContact NZ-OE1 3.47Å
725P60.8Low73.7Confident113 Ų11373 Ų7373%0.73435%0.349SS*.THydrogen-bonded Turntrans-67.8-6.9-169.627.3-36000115.2R723R723-P725 WeakPolarHBondContact O-CD 3.34Å
726F65.1Low73.4Confident153 Ų15375.8 Ų75.867%0.67136%0.359SS*.THydrogen-bonded Turntrans-100.1-3.3-179.7-51.9-76000113.7K724 V774K724-F726 PolarHBondContact O-N 3.18Å; F726-V774 PolarHBondContact O-N 3.16Å
727L65.6Low73.2Confident27 Ų2776 Ų7614%0.14136%0.36CS..BIsolated β-bridgetrans-95.4128.3178.7-65.7176.3000109.4I721 K724 V760 V774 L776I721-L727 HydrophobicContact CB-CD1 4.27Å; I721-L727 HydrophobicContact CG1-CD1 4.35Å; I721-L727 HydrophobicContact CG2-CB 4.16Å; I721-L727 HydrophobicContact CG2-CD1 3.92Å; K724-L727 HydrophobicContact CB-CD1 3.82Å; K724-L727 HydrophobicContact CB-CG 4.12Å; K724-L727 HydrophobicContact CG-CD1 4.39Å; K724-L727 PolarHBondContact O-N 3.41Å; K724-L727 VanDerWaalsContact O-N 3.16Å; L727-V760 HydrophobicContact CD2-CG2 4.26Å; L727-V774 HydrophobicContact CD2-CB 4.09Å; L727-V774 HydrophobicContact CD2-CG1 4.15Å; L727-V774 WeakPolarHBondContact CD2-O 3.3Å; L727-L776 HydrophobicContact CD1-CD1 4.09Å; L727-L776 HydrophobicContact CD2-CD1 3.84Å; L727-L776 HydrophobicContact CD2-CG 3.86Å
728S63.1Low73Confident22 Ų2282.3 Ų82.315%0.15439%0.39CS..  trans-85149179.864.90000111.6E730 S731 C775S728-E730 PolarHBondContact O-N 2.7Å; S728-E730 VanDerWaalsContact O-N 3.09Å; S728-S731 VanDerWaalsContact O-CB 3.31Å; S728-S731 WeakPolarHBondContact O-CB 3.26Å; S728-S731 PolarHBondContact O-N 2.86Å; S728-S731 PolarHBondContact O-OG 3.28Å; S728-C775 PolarHBondContact OG-SG 2.95Å
729E63.1Low72.8Confident156 Ų15680.4 Ų80.473%0.72939%0.386SS*.THydrogen-bonded Turntrans-59.9-15.1170.9-69.6-175.316500112.8S731 F732E729-S731 PolarHBondContact O-N 2.86Å; E729-F732 WeakPolarHBondContact O-CD2 3.48Å; E729-F732 PolarHBondContact O-N 3.34Å
730E60.2Low72.7Confident108 Ų10875.3 Ų75.351%0.50537%0.367SS..THydrogen-bonded Turntrans-68-21.4174-58.5-169.6154.100112.8S728 F732 K733S728-E730 PolarHBondContact O-N 2.7Å; S728-E730 VanDerWaalsContact O-N 3.09Å; E730-F732 PolarHBondContact O-N 2.94Å; E730-F732 VanDerWaalsContact O-N 3.15Å; E730-K733 PolarHBondContact O-N 3.21Å; E730-K733 VanDerWaalsContact O-N 3.11Å
731S62.5Low72.8Confident1 Ų174 Ų741%0.00736%0.36CS..Hα-helixtrans-57.9-27.5175.5-51.60000112.5S728 E729 K733 L735 L776S728-S731 VanDerWaalsContact O-CB 3.31Å; S728-S731 WeakPolarHBondContact O-CB 3.26Å; S728-S731 PolarHBondContact O-N 2.86Å; S728-S731 PolarHBondContact O-OG 3.28Å; E729-S731 PolarHBondContact O-N 2.86Å; S731-K733 VanDerWaalsContact C-N 3.32Å; S731-K733 PolarHBondContact O-N 3.01Å; S731-L735 WeakPolarHBondContact O-CB 3.43Å; S731-L735 PolarHBondContact O-N 3.37Å; S731-L776 PolarHBondContact OG-N 3.24Å
732F67.2Low72.6Confident53 Ų5379.4 Ų79.423%0.23239%0.387CS..Hα-helixtrans-77.5-13.5-179.3-59.5-67.6000114.1H718 I721 L722 E729 E730 L737H718-F732 AromaticContact CD2-CD1 3.9Å; H718-F732 AromaticContact CD2-CE1 3.39Å; H718-F732 WeakPolarHBondContact CD2-CE1 3.46Å; H718-F732 AromaticContact CD2-CZ 3.85Å; H718-F732 AromaticContact NE2-CE1 3.95Å; I721-F732 HydrophobicContact CB-CE1 4.34Å; I721-F732 HydrophobicContact CB-CZ 4.1Å; I721-F732 HydrophobicContact CD1-CE1 4.22Å; I721-F732 HydrophobicContact CG2-CE1 4.06Å; I721-F732 HydrophobicContact CG2-CE2 4.32Å; I721-F732 HydrophobicContact CG2-CZ 3.6Å; L722-F732 HydrophobicContact CD2-CE2 3.84Å; L722-F732 HydrophobicContact CD2-CZ 4.02Å; L722-F732 HydrophobicContact CG-CE2 4.42Å; L722-F732 HydrophobicContact CG-CZ 4.09Å; E729-F732 WeakPolarHBondContact O-CD2 3.48Å; E729-F732 PolarHBondContact O-N 3.34Å; E730-F732 PolarHBondContact O-N 2.94Å; E730-F732 VanDerWaalsContact O-N 3.15Å; F732-L737 HydrophobicContact CD1-CD1 4.03Å; F732-L737 HydrophobicContact CE1-CD1 4.05Å
733K65.8Low72.5Confident173 Ų17381.7 Ų81.775%0.75239%0.394SS*.Hα-helixtrans-79.6-35.2178.4-67.6178.6-177.7168.60112.3E730 S731E730-K733 PolarHBondContact O-N 3.21Å; E730-K733 VanDerWaalsContact O-N 3.11Å; S731-K733 VanDerWaalsContact C-N 3.32Å; S731-K733 PolarHBondContact O-N 3.01Å
734D67.9Low72.7Confident133 Ų13373.8 Ų73.871%0.71136%0.364SS*.Hα-helixtrans-100-14.5-177.8-67.9-23.1000113.1
735L75.3Confident72.7Confident10 Ų1073.1 Ų73.15%0.05236%0.364CS..  trans-103.6112.9-176.7-168.483.8000111.9I721 S731 L737 F781I721-L735 HydrophobicContact CD1-CD2 4.01Å; S731-L735 WeakPolarHBondContact O-CB 3.43Å; S731-L735 PolarHBondContact O-N 3.37Å; L735-L737 HydrophobicContact CD2-CD2 3.43Å; L735-L737 VanDerWaalsContact CD2-CD2 3.43Å; L735-L737 HydrophobicContact CD2-CG 3.99Å; L735-L737 HydrophobicContact CG-CD2 4.37Å; L735-L737 PolarHBondContact O-N 2.65Å; L735-F781 HydrophobicContact CD1-CD2 3.42Å; L735-F781 VanDerWaalsContact CD1-CD2 3.42Å; L735-F781 HydrophobicContact CD1-CE2 3.47Å; L735-F781 VanDerWaalsContact CD1-CE2 3.47Å; L735-F781 HydrophobicContact CD2-CE2 3.87Å; L735-F781 HydrophobicContact CD2-CZ 4.44Å; L735-F781 HydrophobicContact CG-CE2 4.32Å
736D81.9Confident73.3Confident92 Ų9268.8 Ų68.849%0.49234%0.34SS..  trans-81.3100166-174.8-3.4000110.4E738 A739 V740D736-E738 VanDerWaalsContact C-N 3.28Å; D736-E738 PolarHBondContact O-N 2.7Å; D736-E738 WeakPolarHBondContact OD1-CB 3.38Å; D736-E738 PolarHBondContact OD1-N 3.11Å; D736-A739 HydrophobicContact CB-CB 3.98Å; D736-A739 PolarHBondContact O-N 3.27Å; D736-A739 PolarHBondContact OD1-N 3.44Å; D736-A739 WeakPolarHBondContact OD2-CB 3.34Å; D736-V740 PolarHBondContact O-N 3.26Å
737L82.8Confident74.1Confident20 Ų2062.7 Ų62.711%0.10531%0.313CS..Hα-helixtrans-67.2-27.8178.5-73.4171.8000113L717 H718 I721 F732 L735 V740 A741L717-L737 HydrophobicContact CB-CD2 3.91Å; L717-L737 HydrophobicContact CD1-CD2 4.46Å; H718-L737 HydrophobicContact CB-CD1 3.93Å; I721-L737 HydrophobicContact CD1-CD2 3.97Å; F732-L737 HydrophobicContact CD1-CD1 4.03Å; F732-L737 HydrophobicContact CE1-CD1 4.05Å; L735-L737 HydrophobicContact CD2-CD2 3.43Å; L735-L737 VanDerWaalsContact CD2-CD2 3.43Å; L735-L737 HydrophobicContact CD2-CG 3.99Å; L735-L737 HydrophobicContact CG-CD2 4.37Å; L735-L737 PolarHBondContact O-N 2.65Å; L737-V740 PolarHBondContact O-N 3.41Å; L737-A741 VanDerWaalsContact O-CB 3.28Å; L737-A741 WeakPolarHBondContact O-CB 3.47Å; L737-A741 PolarHBondContact O-N 3.05Å
738E82.4Confident75Confident133 Ų13362 Ų6262%0.62131%0.31SS*.Hα-helixtrans-71.7-38.5178.7-64.7-176178.100110.5D736 A741 M742D736-E738 VanDerWaalsContact C-N 3.28Å; D736-E738 PolarHBondContact O-N 2.7Å; D736-E738 WeakPolarHBondContact OD1-CB 3.38Å; D736-E738 PolarHBondContact OD1-N 3.11Å; E738-A741 PolarHBondContact O-N 3.29Å; E738-M742 PolarHBondContact O-N 2.99Å
739A82.1Confident76.1Confident30 Ų3062 Ų6225%0.24831%0.311CS..Hα-helixtrans-64.5-38.6173.500000112.5D736 K743 W778D736-A739 HydrophobicContact CB-CB 3.98Å; D736-A739 PolarHBondContact O-N 3.27Å; D736-A739 PolarHBondContact OD1-N 3.44Å; D736-A739 WeakPolarHBondContact OD2-CB 3.34Å; A739-K743 PolarHBondContact O-N 3.04Å; A739-W778 HydrophobicContact CB-CH2 4.22Å; A739-W778 HydrophobicContact CB-CZ3 4.01Å
740V84.4Confident77.2Confident0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-65.8-46.5173178.90000109.8L717 D736 L737 M742 K743 T744 W778 F781L717-V740 HydrophobicContact CD1-CB 4.37Å; L717-V740 HydrophobicContact CD1-CG1 3.81Å; D736-V740 PolarHBondContact O-N 3.26Å; L737-V740 PolarHBondContact O-N 3.41Å; V740-M742 VanDerWaalsContact C-N 3.29Å; V740-M742 PolarHBondContact O-N 2.9Å; V740-K743 PolarHBondContact O-N 3.08Å; V740-T744 HydrophobicContact CG1-CG2 4.23Å; V740-T744 WeakPolarHBondContact O-CG2 3.29Å; V740-T744 PolarHBondContact O-N 2.77Å; V740-T744 VanDerWaalsContact O-N 3.11Å; V740-T744 PolarHBondContact O-OG1 3.3Å; V740-W778 HydrophobicContact CB-CZ3 4.32Å; V740-W778 HydrophobicContact CG2-CE3 3.75Å; V740-W778 HydrophobicContact CG2-CZ3 3.55Å; V740-F781 HydrophobicContact CG1-CD1 3.86Å; V740-F781 HydrophobicContact CG1-CE1 4.12Å; V740-F781 HydrophobicContact CG1-CG 4.44Å; V740-F781 HydrophobicContact CG2-CB 4.33Å; V740-F781 HydrophobicContact CG2-CD1 4.32Å; V740-F781 HydrophobicContact CG2-CD2 4.41Å; V740-F781 HydrophobicContact CG2-CG 4.1Å
741A84.8Confident78.5Confident0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-62.1-33.8-179.300000113.1Q710 R713 A714 L737 E738 T744Q710-A741 HydrophobicContact CG-CB 3.97Å; R713-A741 HydrophobicContact CB-CB 4.21Å; R713-A741 PolarHBondContact NE-O 3.39Å; R713-A741 PolarHBondContact NH2-O 3.19Å; A714-A741 HydrophobicContact CB-CB 4.07Å; L737-A741 VanDerWaalsContact O-CB 3.28Å; L737-A741 WeakPolarHBondContact O-CB 3.47Å; L737-A741 PolarHBondContact O-N 3.05Å; E738-A741 PolarHBondContact O-N 3.29Å; A741-T744 WeakPolarHBondContact CA-OG1 3.26Å; A741-T744 PolarHBondContact O-N 2.97Å; A741-T744 PolarHBondContact O-OG1 3.32Å
742M80.2Confident79.8Confident116 Ų11654.3 Ų54.357%0.57128%0.275SS*.Hα-helixtrans-63.4-40.9172-81.5-137.7-166.600112.4Q710 E738 V740 T744Q710-M742 HydrophobicContact CG-CG 4.38Å; E738-M742 PolarHBondContact O-N 2.99Å; V740-M742 VanDerWaalsContact C-N 3.29Å; V740-M742 PolarHBondContact O-N 2.9Å; M742-T744 VanDerWaalsContact C-N 3.3Å; M742-T744 PolarHBondContact O-N 3.23Å
743K77.8Confident80.8Confident128 Ų12853.9 Ų53.956%0.55728%0.277SS*.Hα-helixtrans-77-18.1-179.2-69.1-162.5179.6-173.80113.8A739 V740 W778 L785A739-K743 PolarHBondContact O-N 3.04Å; V740-K743 PolarHBondContact O-N 3.08Å; K743-W778 HydrophobicContact CD-CH2 3.59Å; K743-W778 HydrophobicContact CD-CZ2 4.04Å; K743-W778 HydrophobicContact CG-CH2 4.25Å; K743-W778 VanDerWaalsContact NZ-CZ2 3.33Å; K743-L785 HydrophobicContact CB-CD1 4.16Å; K743-L785 HydrophobicContact CD-CD1 4.3Å
744T79.6Confident82Confident0 Ų047.8 Ų47.80%025%0.254CS..THydrogen-bonded Turntrans-100.239.6179.864.10000112R713 V740 A741 M742 Y747 L752 L755 L785R713-T744 WeakPolarHBondContact CD-O 3.44Å; R713-T744 PolarHBondContact NE-O 3.11Å; V740-T744 HydrophobicContact CG1-CG2 4.23Å; V740-T744 WeakPolarHBondContact O-CG2 3.29Å; V740-T744 PolarHBondContact O-N 2.77Å; V740-T744 VanDerWaalsContact O-N 3.11Å; V740-T744 PolarHBondContact O-OG1 3.3Å; A741-T744 WeakPolarHBondContact CA-OG1 3.26Å; A741-T744 PolarHBondContact O-N 2.97Å; A741-T744 PolarHBondContact O-OG1 3.32Å; M742-T744 VanDerWaalsContact C-N 3.3Å; M742-T744 PolarHBondContact O-N 3.23Å; T744-Y747 HydrophobicContact CG2-CD2 4.02Å; T744-Y747 HydrophobicContact CG2-CE2 4.13Å; T744-Y747 WeakPolarHBondContact O-CB 3.33Å; T744-Y747 PolarHBondContact O-N 3.04Å; T744-L752 HydrophobicContact CG2-CD2 4.21Å; T744-L755 HydrophobicContact CG2-CD2 3.46Å; T744-L755 VanDerWaalsContact CG2-CD2 3.46Å; T744-L785 HydrophobicContact CG2-CD2 4.14Å
745D74.5Confident83Confident67 Ų6741.5 Ų41.536%0.35822%0.22SC..THydrogen-bonded Turntrans-60.6138.1172.6-85.4-26.9000110.9R713 Y747R713-D745 IonicContact CZ-OD1 2.79Å; R713-D745 IonicContact NH1-OD1 2.84Å; R713-D745 IonicContact NH2-OD1 3.34Å; R713-D745 PolarHBondContact NH2-OD1 3.07Å; D745-Y747 VanDerWaalsContact C-N 3.25Å; D745-Y747 WeakPolarHBondContact O-CD1 3.37Å; D745-Y747 PolarHBondContact O-N 2.86Å
746G72.9Confident83.7Confident23 Ų2341.1 Ų41.124%0.23722%0.219CC..THydrogen-bonded Turntrans78.9-3.4-177.700000115.4
747Y81.9Confident84Confident25 Ų2541.3 Ų41.310%0.09822%0.217CC..  trans-78.5134.4-178.5-76.535.4000111P708 T744 D745 D751 L752 L755 L785 F788 P790P708-Y747 WeakPolarHBondContact CG-O 3.18Å; T744-Y747 HydrophobicContact CG2-CD2 4.02Å; T744-Y747 HydrophobicContact CG2-CE2 4.13Å; T744-Y747 WeakPolarHBondContact O-CB 3.33Å; T744-Y747 PolarHBondContact O-N 3.04Å; D745-Y747 VanDerWaalsContact C-N 3.25Å; D745-Y747 WeakPolarHBondContact O-CD1 3.37Å; D745-Y747 PolarHBondContact O-N 2.86Å; Y747-D751 HydrophobicContact CD2-CB 3.97Å; Y747-D751 HydrophobicContact CG-CB 4.15Å; Y747-L752 HydrophobicContact CD2-CD2 4.36Å; Y747-L755 HydrophobicContact CE2-CD2 4.43Å; Y747-L785 HydrophobicContact CE2-CD2 4.38Å; Y747-F788 HydrophobicContact CD2-CE1 4.26Å; Y747-F788 AromaticContact CE2-CD1 3.71Å; Y747-F788 HydrophobicContact CE2-CD1 3.71Å; Y747-F788 AromaticContact CE2-CE1 3.48Å; Y747-F788 HydrophobicContact CE2-CE1 3.48Å; Y747-F788 VanDerWaalsContact CE2-CE1 3.48Å; Y747-F788 AromaticContact CZ-CD1 4Å; Y747-P790 HydrophobicContact CD1-CG 4.22Å; Y747-P790 HydrophobicContact CE1-CB 4.41Å; Y747-P790 HydrophobicContact CE1-CG 3.87Å; Y747-P790 HydrophobicContact CE2-CB 4.45Å
748T85.1Confident84.3Confident13 Ų1345.2 Ų45.28%0.0823%0.23CC..  trans-81.4168.4172.769.10000111.5Q750 D751 L752T748-Q750 PolarHBondContact O-N 2.95Å; T748-D751 WeakPolarHBondContact CB-OD2 3.17Å; T748-D751 PolarHBondContact N-OD2 2.68Å; T748-D751 WeakPolarHBondContact O-CB 3.27Å; T748-D751 PolarHBondContact O-N 3.43Å; T748-D751 PolarHBondContact OG1-N 3.37Å; T748-D751 PolarHBondContact OG1-OD2 2.9Å; T748-L752 WeakPolarHBondContact O-CG 3.45Å; T748-L752 PolarHBondContact O-N 3.06Å
749A85.6Confident84.6Confident22 Ų2238.9 Ų38.918%0.18220%0.2CC..Hα-helixtrans-58.2-35.2177.700000113T753A749-T753 PolarHBondContact O-N 3.41Å; A749-T753 VanDerWaalsContact O-N 3.15Å; A749-T753 PolarHBondContact O-OG1 3.11Å
750Q87.2Confident84.9Confident101 Ų10138.9 Ų38.947%0.47220%0.197SC..Hα-helixtrans-65.5-43.1173.5-177.5171.46.900111.6G570 T748 L752 T753 V754G570-Q750 WeakPolarHBondContact O-CB 3.36Å; G570-Q750 PolarHBondContact O-N 2.84Å; T748-Q750 PolarHBondContact O-N 2.95Å; Q750-L752 VanDerWaalsContact C-N 3.33Å; Q750-L752 PolarHBondContact O-N 3.29Å; Q750-T753 WeakPolarHBondContact O-CB 3.39Å; Q750-T753 PolarHBondContact O-N 2.93Å; Q750-T753 VanDerWaalsContact O-N 3.11Å; Q750-V754 WeakPolarHBondContact O-CG2 3.07Å; Q750-V754 PolarHBondContact O-N 3.47Å
751D87.9Confident85Confident1 Ų144.1 Ų44.11%0.00522%0.221CC..Hα-helixtrans-63.9-40.5179.8-53.4-38.6000111.4Y747 T748 T753 V754 L755 P790 P791 S792Y747-D751 HydrophobicContact CD2-CB 3.97Å; Y747-D751 HydrophobicContact CG-CB 4.15Å; T748-D751 WeakPolarHBondContact CB-OD2 3.17Å; T748-D751 PolarHBondContact N-OD2 2.68Å; T748-D751 WeakPolarHBondContact O-CB 3.27Å; T748-D751 PolarHBondContact O-N 3.43Å; T748-D751 PolarHBondContact OG1-N 3.37Å; T748-D751 PolarHBondContact OG1-OD2 2.9Å; D751-T753 VanDerWaalsContact C-N 3.28Å; D751-T753 PolarHBondContact O-N 3.43Å; D751-V754 PolarHBondContact O-N 3.34Å; D751-L755 WeakPolarHBondContact O-CB 3.41Å; D751-L755 PolarHBondContact O-N 2.87Å; D751-P790 HydrophobicContact CB-CB 3.73Å; D751-P790 VanDerWaalsContact CG-CB 3.45Å; D751-P791 WeakPolarHBondContact OD1-CD 3.46Å; D751-S792 PolarHBondContact OD1-N 3.26Å; D751-S792 VanDerWaalsContact OD2-CB 3.24Å; D751-S792 WeakPolarHBondContact OD2-CB 3.47Å; D751-S792 PolarHBondContact OD2-OG 3.47Å
752L88.6Confident85Confident0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-63.2-34.6174.2-65.7175.8000112.4R713 I716 L717 L720 T744 Y747 T748 Q750 L755 L756R713-L752 HydrophobicContact CB-CD1 4.03Å; R713-L752 HydrophobicContact CG-CD1 4.04Å; I716-L752 HydrophobicContact CB-CD1 4.31Å; I716-L752 HydrophobicContact CG2-CD1 3.99Å; L717-L752 HydrophobicContact CD1-CD2 4.33Å; L717-L752 HydrophobicContact CD2-CB 4.08Å; L717-L752 HydrophobicContact CD2-CD2 4.2Å; L717-L752 HydrophobicContact CG-CD1 4.42Å; L717-L752 HydrophobicContact CG-CD2 4.28Å; L720-L752 HydrophobicContact CD1-CB 4.35Å; T744-L752 HydrophobicContact CG2-CD2 4.21Å; Y747-L752 HydrophobicContact CD2-CD2 4.36Å; T748-L752 WeakPolarHBondContact O-CG 3.45Å; T748-L752 PolarHBondContact O-N 3.06Å; Q750-L752 VanDerWaalsContact C-N 3.33Å; Q750-L752 PolarHBondContact O-N 3.29Å; L752-L755 PolarHBondContact O-N 3.15Å; L752-L756 WeakPolarHBondContact O-CB 3.37Å; L752-L756 PolarHBondContact O-N 3.22Å
753T89.3Confident85.2Confident45 Ų4539.2 Ų39.228%0.27620%0.198SC..Hα-helixtrans-66.5-45.1175.3-55.30000110.8A749 Q750 D751 L756 E757A749-T753 PolarHBondContact O-N 3.41Å; A749-T753 VanDerWaalsContact O-N 3.15Å; A749-T753 PolarHBondContact O-OG1 3.11Å; Q750-T753 WeakPolarHBondContact O-CB 3.39Å; Q750-T753 PolarHBondContact O-N 2.93Å; Q750-T753 VanDerWaalsContact O-N 3.11Å; D751-T753 VanDerWaalsContact C-N 3.28Å; D751-T753 PolarHBondContact O-N 3.43Å; T753-L756 PolarHBondContact O-N 3.02Å; T753-E757 WeakPolarHBondContact O-CG 3.39Å; T753-E757 PolarHBondContact O-N 2.67Å
754V90.1Very high85.5Confident45 Ų4539 Ų3927%0.27320%0.197SC..Hα-helixtrans-65.3-39.9176.5177.40000111.1Q750 D751 E757 R758 F788 P791Q750-V754 WeakPolarHBondContact O-CG2 3.07Å; Q750-V754 PolarHBondContact O-N 3.47Å; D751-V754 PolarHBondContact O-N 3.34Å; V754-E757 PolarHBondContact O-N 3.1Å; V754-R758 WeakPolarHBondContact O-CG 3.4Å; V754-R758 PolarHBondContact O-N 3.4Å; V754-F788 HydrophobicContact CB-CE2 4.47Å; V754-F788 HydrophobicContact CB-CZ 4.14Å; V754-F788 HydrophobicContact CG1-CE2 3.64Å; V754-F788 HydrophobicContact CG1-CZ 3.8Å; V754-P791 HydrophobicContact CG2-CG 4.48Å
755L89.8Confident85.5Confident0 Ų045.4 Ų45.40%023%0.228CC..Hα-helixtrans-60.7-45.2175.3179.866.9000111.5T744 Y747 D751 L752 E757 R758 A759 F781 A784 L785 F788T744-L755 HydrophobicContact CG2-CD2 3.46Å; T744-L755 VanDerWaalsContact CG2-CD2 3.46Å; Y747-L755 HydrophobicContact CE2-CD2 4.43Å; D751-L755 WeakPolarHBondContact O-CB 3.41Å; D751-L755 PolarHBondContact O-N 2.87Å; L752-L755 PolarHBondContact O-N 3.15Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-E757 PolarHBondContact O-N 3Å; L755-R758 PolarHBondContact O-N 2.78Å; L755-A759 PolarHBondContact O-N 3.31Å; L755-F781 HydrophobicContact CD2-CD1 4.28Å; L755-F781 HydrophobicContact CD2-CE1 4.43Å; L755-F781 HydrophobicContact CG-CD1 4.26Å; L755-F781 HydrophobicContact CG-CE1 4.36Å; L755-A784 HydrophobicContact CD1-CB 3.82Å; L755-L785 HydrophobicContact CD1-CD2 3.69Å; L755-L785 HydrophobicContact CD1-CG 4Å; L755-L785 HydrophobicContact CD2-CD2 4.06Å; L755-F788 HydrophobicContact CB-CE1 4.29Å; L755-F788 HydrophobicContact CD1-CD1 4.2Å; L755-F788 HydrophobicContact CD1-CE1 4.45Å
756L89.1Confident85.5Confident3 Ų348.1 Ų48.12%0.01624%0.239CC..Hα-helixtrans-61.2-41.5176.2-179.264.5000111.3L720 I721 L752 T753 R758 A759 V760 L776 F781L720-L756 HydrophobicContact CB-CD2 3.83Å; I721-L756 HydrophobicContact CG1-CD1 3.84Å; I721-L756 HydrophobicContact CG1-CD2 4.23Å; L752-L756 WeakPolarHBondContact O-CB 3.37Å; L752-L756 PolarHBondContact O-N 3.22Å; T753-L756 PolarHBondContact O-N 3.02Å; L756-R758 VanDerWaalsContact C-N 3.35Å; L756-R758 PolarHBondContact O-N 3.36Å; L756-A759 PolarHBondContact O-N 2.87Å; L756-V760 VanDerWaalsContact O-CG2 3.29Å; L756-V760 WeakPolarHBondContact O-CG2 3.48Å; L756-V760 PolarHBondContact O-N 3.05Å; L756-L776 HydrophobicContact CD1-CD1 3.51Å; L756-F781 HydrophobicContact CD1-CZ 4.03Å
757E88.8Confident85Confident96 Ų9649.3 Ų49.345%0.44925%0.251SS..Hα-helixtrans-65.3-37.8176.7-71.5-176.8165.500112.5K724 T753 V754 L755 V760 H761K724-E757 IonicContact NZ-OE1 3.11Å; K724-E757 PolarHBondContact NZ-OE1 3.47Å; T753-E757 WeakPolarHBondContact O-CG 3.39Å; T753-E757 PolarHBondContact O-N 2.67Å; V754-E757 PolarHBondContact O-N 3.1Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-E757 PolarHBondContact O-N 3Å; E757-V760 PolarHBondContact O-N 3.26Å; E757-H761 WeakPolarHBondContact O-CB 3.29Å; E757-H761 PolarHBondContact O-N 3.49Å
758R88.8Confident84Confident102 Ų10249.7 Ų49.739%0.38526%0.263SS..Hα-helixtrans-65.4-40.4171.6-73.3177.669.190.1-2.8112.3V754 L755 L756 H761 A762 A784V754-R758 WeakPolarHBondContact O-CG 3.4Å; V754-R758 PolarHBondContact O-N 3.4Å; L755-R758 PolarHBondContact O-N 2.78Å; L756-R758 VanDerWaalsContact C-N 3.35Å; L756-R758 PolarHBondContact O-N 3.36Å; R758-H761 WeakPolarHBondContact O-CB 3.45Å; R758-H761 PolarHBondContact O-N 3.38Å; R758-A762 WeakPolarHBondContact O-CB 3.15Å; R758-A762 PolarHBondContact O-N 3.35Å; R758-A784 HydrophobicContact CB-CB 3.91Å; R758-A784 PolarHBondContact NE-O 3.47Å
759A88.4Confident82.5Confident0 Ų056.9 Ų56.90%030%0.295CS..Hα-helixtrans-64.8-42.3175.800000111.4L755 L756 H761 A762 N763 L776 F781 A784L755-A759 PolarHBondContact O-N 3.31Å; L756-A759 PolarHBondContact O-N 2.87Å; A759-H761 VanDerWaalsContact C-N 3.31Å; A759-H761 PolarHBondContact O-N 3.15Å; A759-A762 PolarHBondContact O-N 3.32Å; A759-N763 WeakPolarHBondContact O-CB 3.42Å; A759-N763 PolarHBondContact O-N 2.85Å; A759-L776 HydrophobicContact CB-CD2 4.32Å; A759-F781 HydrophobicContact CB-CD1 4.09Å; A759-F781 HydrophobicContact CB-CD2 4.28Å; A759-F781 HydrophobicContact CB-CE1 4.03Å; A759-F781 HydrophobicContact CB-CE2 4.23Å; A759-F781 HydrophobicContact CB-CG 4.23Å; A759-F781 HydrophobicContact CB-CZ 4.11Å; A759-A784 HydrophobicContact CB-CB 4.08Å
760V87.2Confident81Confident30 Ų3058.3 Ų58.318%0.18230%0.304CS..Hα-helixtrans-61.6-40.2172.7171.70000111.1L727 L756 E757 N763 K764 L776L727-V760 HydrophobicContact CD2-CG2 4.26Å; L756-V760 VanDerWaalsContact O-CG2 3.29Å; L756-V760 WeakPolarHBondContact O-CG2 3.48Å; L756-V760 PolarHBondContact O-N 3.05Å; E757-V760 PolarHBondContact O-N 3.26Å; V760-N763 PolarHBondContact O-N 2.84Å; V760-K764 HydrophobicContact CG1-CD 4.5Å; V760-K764 WeakPolarHBondContact O-CG 3.47Å; V760-K764 PolarHBondContact O-N 3.43Å; V760-L776 HydrophobicContact CG2-CD1 4.29Å; V760-L776 HydrophobicContact CG2-CD2 4.07Å
761H87.1Confident79.3Confident110 Ų11059.7 Ų59.751%0.50933%0.325SS..Hα-helixtrans-65-45.4174.9179-89.4000112E757 R758 A759 N763 K764 M765E757-H761 WeakPolarHBondContact O-CB 3.29Å; E757-H761 PolarHBondContact O-N 3.49Å; R758-H761 WeakPolarHBondContact O-CB 3.45Å; R758-H761 PolarHBondContact O-N 3.38Å; A759-H761 VanDerWaalsContact C-N 3.31Å; A759-H761 PolarHBondContact O-N 3.15Å; H761-N763 VanDerWaalsContact C-N 3.31Å; H761-N763 PolarHBondContact O-N 3.35Å; H761-K764 WeakPolarHBondContact O-CB 3.42Å; H761-K764 PolarHBondContact O-N 3.1Å; H761-M765 WeakPolarHBondContact O-CG 3.32Å; H761-M765 PolarHBondContact O-N 3.08Å
762A85.5Confident77.6Confident3 Ų367.5 Ų67.53%0.02536%0.361CS..Hα-helixtrans-58.2-45.817600000110.6R758 A759 K764 M765 H766 D780R758-A762 WeakPolarHBondContact O-CB 3.15Å; R758-A762 PolarHBondContact O-N 3.35Å; A759-A762 PolarHBondContact O-N 3.32Å; A762-K764 VanDerWaalsContact C-N 3.34Å; A762-K764 PolarHBondContact O-N 2.77Å; A762-M765 WeakPolarHBondContact O-CB 3.29Å; A762-M765 PolarHBondContact O-N 3.34Å; A762-M765 VanDerWaalsContact O-N 3.1Å; A762-H766 PolarHBondContact O-N 3.31Å; A762-H766 PolarHBondContact O-ND1 2.92Å; A762-D780 HydrophobicContact CB-CB 4.48Å
763N84.9Confident76.2Confident10 Ų1068.6 Ų68.65%0.05337%0.372CS..Hα-helixtrans-61.1-42.2177.6-167-67.3000112.4A759 V760 H761 M765 H766 G767 G768 V774 C775 L776 D780A759-N763 WeakPolarHBondContact O-CB 3.42Å; A759-N763 PolarHBondContact O-N 2.85Å; V760-N763 PolarHBondContact O-N 2.84Å; H761-N763 VanDerWaalsContact C-N 3.31Å; H761-N763 PolarHBondContact O-N 3.35Å; N763-M765 VanDerWaalsContact C-N 3.32Å; N763-M765 PolarHBondContact O-N 2.78Å; N763-H766 PolarHBondContact O-N 3.36Å; N763-G767 PolarHBondContact O-N 3.25Å; N763-G768 PolarHBondContact O-N 3.42Å; N763-V774 HydrophobicContact CB-CG1 4.13Å; N763-C775 PolarHBondContact ND2-O 3.08Å; N763-L776 HydrophobicContact CB-CD2 4.17Å; N763-D780 PolarHBondContact ND2-OD2 3.46Å
764K82.6Confident75.3Confident124 Ų12467.3 Ų67.354%0.53936%0.364SS..Hα-helixtrans-60.7-38.4173.3-76.1179.3178.8-1760112.6V760 H761 A762 G767V760-K764 HydrophobicContact CG1-CD 4.5Å; V760-K764 WeakPolarHBondContact O-CG 3.47Å; V760-K764 PolarHBondContact O-N 3.43Å; H761-K764 WeakPolarHBondContact O-CB 3.42Å; H761-K764 PolarHBondContact O-N 3.1Å; A762-K764 VanDerWaalsContact C-N 3.34Å; A762-K764 PolarHBondContact O-N 2.77Å; K764-G767 PolarHBondContact O-N 3.14Å
765M80.4Confident74.5Confident133 Ų13367.2 Ų67.266%0.65537%0.365SS*.Hα-helixtrans-68.2-35175.8-69.4-68.411900112.3H761 A762 N763 G767H761-M765 WeakPolarHBondContact O-CG 3.32Å; H761-M765 PolarHBondContact O-N 3.08Å; A762-M765 WeakPolarHBondContact O-CB 3.29Å; A762-M765 PolarHBondContact O-N 3.34Å; A762-M765 VanDerWaalsContact O-N 3.1Å; N763-M765 VanDerWaalsContact C-N 3.32Å; N763-M765 PolarHBondContact O-N 2.78Å; M765-G767 PolarHBondContact O-N 3.26Å
766H74.1Confident74Confident124 Ų12467.3 Ų67.357%0.57437%0.366SS*.THydrogen-bonded Turntrans-80.92.1178.3-66.694.9000113.8A762 N763A762-H766 PolarHBondContact O-N 3.31Å; A762-H766 PolarHBondContact O-ND1 2.92Å; N763-H766 PolarHBondContact O-N 3.36Å
767G63.7Low73.8Confident49 Ų4969 Ų6951%0.50538%0.378SS..THydrogen-bonded Turntrans74.625.617200000115.1N763 K764 M765 H769N763-G767 PolarHBondContact O-N 3.25Å; K764-G767 PolarHBondContact O-N 3.14Å; M765-G767 PolarHBondContact O-N 3.26Å; G767-H769 PolarHBondContact O-N 3.48Å
768G60.1Low73.6Confident33 Ų3368.5 Ų68.534%0.3437%0.372SS..  trans-71.566.7178.100000113.8N763N763-G768 PolarHBondContact O-N 3.42Å
769H52.7Low73.3Confident163 Ų16373.3 Ų73.376%0.75539%0.39SS*.  trans-93.6102.1171.5-70.9-60.9000110.5G767G767-H769 PolarHBondContact O-N 3.48Å
770S55.1Low73.3Confident53 Ų5373.7 Ų73.737%0.37139%0.392SS..BIsolated β-bridgetrans-87.8151.1154.983.40000108.8Q772 G773S770-Q772 PolarHBondContact O-N 3.01Å; S770-Q772 PolarHBondContact OG-N 3.37Å; S770-G773 PolarHBondContact O-N 3.47Å; S770-G773 PolarHBondContact OG-N 3.48Å; S770-G773 PolarHBondContact OG-O 3.16Å
771S52.3Low73.2Confident130 Ų13072.3 Ų72.391%0.90938%0.383SS*.THydrogen-bonded Turntrans-65.2-3.1176.550.10000114.1
772Q51.1Low73.2Confident165 Ų16569.1 Ų69.177%0.77138%0.376SS*.THydrogen-bonded Turntrans-124.68.4-175.1-87.5171.6-39.400114.6S770S770-Q772 PolarHBondContact O-N 3.01Å; S770-Q772 PolarHBondContact OG-N 3.37Å
773G60.3Low73.1Confident22 Ų2274 Ų7423%0.22740%0.398CS..BIsolated β-bridgetrans135.9-177.3174.600000114.6S770S770-G773 PolarHBondContact O-N 3.47Å; S770-G773 PolarHBondContact OG-N 3.48Å; S770-G773 PolarHBondContact OG-O 3.16Å
774V69.9Low73.2Confident19 Ų1973.6 Ų73.612%0.11540%0.396CS..BIsolated β-bridgetrans-90.6119.8175.8177.90000108.4F726 L727 N763 L776F726-V774 PolarHBondContact O-N 3.16Å; L727-V774 HydrophobicContact CD2-CB 4.09Å; L727-V774 HydrophobicContact CD2-CG1 4.15Å; L727-V774 WeakPolarHBondContact CD2-O 3.3Å; N763-V774 HydrophobicContact CB-CG1 4.13Å; V774-L776 HydrophobicContact CG1-CD2 4.41Å
775C72.9Confident73.3Confident43 Ų4369.3 Ų69.329%0.29138%0.379SS..  trans-101.4115.7175.7-60.70000109.5S728 N763S728-C775 PolarHBondContact OG-SG 2.95Å; N763-C775 PolarHBondContact ND2-O 3.08Å
776L80.2Confident73.3Confident2 Ų266.3 Ų66.31%0.0137%0.371CS..  trans-82.4135.4-178.9-66172.1000111.5L727 S731 L756 A759 V760 N763 V774 F781L727-L776 HydrophobicContact CD1-CD1 4.09Å; L727-L776 HydrophobicContact CD2-CD1 3.84Å; L727-L776 HydrophobicContact CD2-CG 3.86Å; S731-L776 PolarHBondContact OG-N 3.24Å; L756-L776 HydrophobicContact CD1-CD1 3.51Å; A759-L776 HydrophobicContact CB-CD2 4.32Å; V760-L776 HydrophobicContact CG2-CD1 4.29Å; V760-L776 HydrophobicContact CG2-CD2 4.07Å; N763-L776 HydrophobicContact CB-CD2 4.17Å; V774-L776 HydrophobicContact CG1-CD2 4.41Å; L776-F781 HydrophobicContact CB-CE2 4.19Å; L776-F781 HydrophobicContact CD1-CE2 4.23Å; L776-F781 HydrophobicContact CD1-CZ 4.41Å
777S83.3Confident73.3Confident38 Ų3864.3 Ų64.327%0.26638%0.384SS..  trans-114.7163.8175.972.60000112.1R779 D780 F781S777-R779 PolarHBondContact O-N 3.28Å; S777-R779 PolarHBondContact OG-N 3.49Å; S777-D780 PolarHBondContact N-OD2 3.23Å; S777-D780 WeakPolarHBondContact O-CB 3.48Å; S777-D780 PolarHBondContact O-N 2.9Å; S777-D780 VanDerWaalsContact O-N 3.13Å; S777-D780 PolarHBondContact OG-OD2 2.88Å; S777-F781 PolarHBondContact O-N 3.21Å
778W84.4Confident74Confident86 Ų8663.1 Ų63.133%0.32637%0.365SS..Hα-helixtrans-54.9-32.5172.3172.9-110.3000113.3A739 V740 K743 D780 F781 A782A739-W778 HydrophobicContact CB-CH2 4.22Å; A739-W778 HydrophobicContact CB-CZ3 4.01Å; V740-W778 HydrophobicContact CB-CZ3 4.32Å; V740-W778 HydrophobicContact CG2-CE3 3.75Å; V740-W778 HydrophobicContact CG2-CZ3 3.55Å; K743-W778 HydrophobicContact CD-CH2 3.59Å; K743-W778 HydrophobicContact CD-CZ2 4.04Å; K743-W778 HydrophobicContact CG-CH2 4.25Å; K743-W778 VanDerWaalsContact NZ-CZ2 3.33Å; W778-D780 VanDerWaalsContact C-N 3.33Å; W778-D780 PolarHBondContact O-N 3.29Å; W778-F781 PolarHBondContact O-N 3.11Å; W778-A782 WeakPolarHBondContact O-CB 3.32Å; W778-A782 PolarHBondContact O-N 2.81Å
779R83.5Confident74.6Confident202 Ų20265.3 Ų65.376%0.76237%0.372SS*.Hα-helixtrans-65.8-37.4-179.7-63.5-179.7-175.8164.52.3111.7S777 F781 A782 H783S777-R779 PolarHBondContact O-N 3.28Å; S777-R779 PolarHBondContact OG-N 3.49Å; R779-F781 VanDerWaalsContact C-N 3.34Å; R779-A782 PolarHBondContact O-N 3.24Å; R779-H783 PolarHBondContact O-N 3.47Å
780D87.3Confident75.6Confident9 Ų957.8 Ų57.85%0.04834%0.338CS..Hα-helixtrans-65.5-40.5177-57-50.5000110.9A762 N763 S777 W778 H783 A784A762-D780 HydrophobicContact CB-CB 4.48Å; N763-D780 PolarHBondContact ND2-OD2 3.46Å; S777-D780 PolarHBondContact N-OD2 3.23Å; S777-D780 WeakPolarHBondContact O-CB 3.48Å; S777-D780 PolarHBondContact O-N 2.9Å; S777-D780 VanDerWaalsContact O-N 3.13Å; S777-D780 PolarHBondContact OG-OD2 2.88Å; W778-D780 VanDerWaalsContact C-N 3.33Å; W778-D780 PolarHBondContact O-N 3.29Å; D780-H783 PolarHBondContact O-N 2.93Å; D780-A784 VanDerWaalsContact O-CB 3.28Å; D780-A784 WeakPolarHBondContact O-CB 3.49Å; D780-A784 PolarHBondContact O-N 3.31Å
781F86.9Confident76.4Confident0 Ų056.6 Ų56.60%033%0.329CS..Hα-helixtrans-68.2-39.2174.1-81.6-83.4000112.6L735 V740 L755 L756 A759 L776 S777 W778 R779 H783 A784 L785L735-F781 HydrophobicContact CD1-CD2 3.42Å; L735-F781 VanDerWaalsContact CD1-CD2 3.42Å; L735-F781 HydrophobicContact CD1-CE2 3.47Å; L735-F781 VanDerWaalsContact CD1-CE2 3.47Å; L735-F781 HydrophobicContact CD2-CE2 3.87Å; L735-F781 HydrophobicContact CD2-CZ 4.44Å; L735-F781 HydrophobicContact CG-CE2 4.32Å; V740-F781 HydrophobicContact CG1-CD1 3.86Å; V740-F781 HydrophobicContact CG1-CE1 4.12Å; V740-F781 HydrophobicContact CG1-CG 4.44Å; V740-F781 HydrophobicContact CG2-CB 4.33Å; V740-F781 HydrophobicContact CG2-CD1 4.32Å; V740-F781 HydrophobicContact CG2-CD2 4.41Å; V740-F781 HydrophobicContact CG2-CG 4.1Å; L755-F781 HydrophobicContact CD2-CD1 4.28Å; L755-F781 HydrophobicContact CD2-CE1 4.43Å; L755-F781 HydrophobicContact CG-CD1 4.26Å; L755-F781 HydrophobicContact CG-CE1 4.36Å; L756-F781 HydrophobicContact CD1-CZ 4.03Å; A759-F781 HydrophobicContact CB-CD1 4.09Å; A759-F781 HydrophobicContact CB-CD2 4.28Å; A759-F781 HydrophobicContact CB-CE1 4.03Å; A759-F781 HydrophobicContact CB-CE2 4.23Å; A759-F781 HydrophobicContact CB-CG 4.23Å; A759-F781 HydrophobicContact CB-CZ 4.11Å; L776-F781 HydrophobicContact CB-CE2 4.19Å; L776-F781 HydrophobicContact CD1-CE2 4.23Å; L776-F781 HydrophobicContact CD1-CZ 4.41Å; S777-F781 PolarHBondContact O-N 3.21Å; W778-F781 PolarHBondContact O-N 3.11Å; R779-F781 VanDerWaalsContact C-N 3.34Å; F781-H783 VanDerWaalsContact C-N 3.32Å; F781-H783 PolarHBondContact O-N 3.2Å; F781-A784 PolarHBondContact O-N 2.79Å; F781-L785 WeakPolarHBondContact O-CB 3.44Å; F781-L785 VanDerWaalsContact O-CG 3.27Å; F781-L785 WeakPolarHBondContact O-CG 3.16Å; F781-L785 PolarHBondContact O-N 2.94Å
782A85.4Confident77.1Confident43 Ų4352.6 Ų52.636%0.35530%0.301SS..Hα-helixtrans-61.1-41.6175.800000111.7W778 R779 S786W778-A782 WeakPolarHBondContact O-CB 3.32Å; W778-A782 PolarHBondContact O-N 2.81Å; R779-A782 PolarHBondContact O-N 3.24Å; A782-S786 PolarHBondContact O-N 2.78Å
783H84.1Confident77.9Confident105 Ų10545.3 Ų45.349%0.48627%0.267SS..Hα-helixtrans-71.7-33.2173.7-172.8-73.8000112.4R779 D780 F781 L785 S786R779-H783 PolarHBondContact O-N 3.47Å; D780-H783 PolarHBondContact O-N 2.93Å; F781-H783 VanDerWaalsContact C-N 3.32Å; F781-H783 PolarHBondContact O-N 3.2Å; H783-L785 VanDerWaalsContact C-N 3.31Å; H783-L785 PolarHBondContact O-N 2.92Å; H783-S786 PolarHBondContact O-OG 3.11Å
784A87.6Confident78Confident2 Ų252.9 Ų52.92%0.01729%0.289CS..Hα-helixtrans-66.8-35.1176.200000112.1L755 R758 A759 D780 F781 F788L755-A784 HydrophobicContact CD1-CB 3.82Å; R758-A784 HydrophobicContact CB-CB 3.91Å; R758-A784 PolarHBondContact NE-O 3.47Å; A759-A784 HydrophobicContact CB-CB 4.08Å; D780-A784 VanDerWaalsContact O-CB 3.28Å; D780-A784 WeakPolarHBondContact O-CB 3.49Å; D780-A784 PolarHBondContact O-N 3.31Å; F781-A784 PolarHBondContact O-N 2.79Å; A784-F788 VanDerWaalsContact O-CB 3.26Å; A784-F788 WeakPolarHBondContact O-CB 3.36Å
785L84.2Confident77.2Confident34 Ų3455.2 Ų55.218%0.17832%0.317CS..Hα-helixtrans-77.2-28.8178.6-72.3169.1000113.4K743 T744 Y747 L755 F781 H783 G787 F788K743-L785 HydrophobicContact CB-CD1 4.16Å; K743-L785 HydrophobicContact CD-CD1 4.3Å; T744-L785 HydrophobicContact CG2-CD2 4.14Å; Y747-L785 HydrophobicContact CE2-CD2 4.38Å; L755-L785 HydrophobicContact CD1-CD2 3.69Å; L755-L785 HydrophobicContact CD1-CG 4Å; L755-L785 HydrophobicContact CD2-CD2 4.06Å; F781-L785 WeakPolarHBondContact O-CB 3.44Å; F781-L785 VanDerWaalsContact O-CG 3.27Å; F781-L785 WeakPolarHBondContact O-CG 3.16Å; F781-L785 PolarHBondContact O-N 2.94Å; H783-L785 VanDerWaalsContact C-N 3.31Å; H783-L785 PolarHBondContact O-N 2.92Å; L785-G787 PolarHBondContact O-N 2.98Å; L785-F788 PolarHBondContact O-N 3.47Å
786S80.4Confident76.4Confident70 Ų7054.1 Ų54.149%0.4931%0.309SS..THydrogen-bonded Turntrans-64118.6176.8560000110.8A782 H783 F788A782-S786 PolarHBondContact O-N 2.78Å; H783-S786 PolarHBondContact O-OG 3.11Å; S786-F788 VanDerWaalsContact C-N 3.28Å; S786-F788 PolarHBondContact O-N 3.2Å
787G74.3Confident75.3Confident82 Ų8259.7 Ų59.785%0.84534%0.338SS*.THydrogen-bonded Turntrans70.916.5-17900000114.8L785L785-G787 PolarHBondContact O-N 2.98Å
788F78Confident74.2Confident24 Ų2459.5 Ų59.511%0.10534%0.335CS..  trans-93.2115.2177.9-179.1-114.8000111.8Y747 V754 L755 A784 L785 S786 P790Y747-F788 HydrophobicContact CD2-CE1 4.26Å; Y747-F788 AromaticContact CE2-CD1 3.71Å; Y747-F788 HydrophobicContact CE2-CD1 3.71Å; Y747-F788 AromaticContact CE2-CE1 3.48Å; Y747-F788 HydrophobicContact CE2-CE1 3.48Å; Y747-F788 VanDerWaalsContact CE2-CE1 3.48Å; Y747-F788 AromaticContact CZ-CD1 4Å; V754-F788 HydrophobicContact CB-CE2 4.47Å; V754-F788 HydrophobicContact CB-CZ 4.14Å; V754-F788 HydrophobicContact CG1-CE2 3.64Å; V754-F788 HydrophobicContact CG1-CZ 3.8Å; L755-F788 HydrophobicContact CB-CE1 4.29Å; L755-F788 HydrophobicContact CD1-CD1 4.2Å; L755-F788 HydrophobicContact CD1-CE1 4.45Å; A784-F788 VanDerWaalsContact O-CB 3.26Å; A784-F788 WeakPolarHBondContact O-CB 3.36Å; L785-F788 PolarHBondContact O-N 3.47Å; S786-F788 VanDerWaalsContact C-N 3.28Å; S786-F788 PolarHBondContact O-N 3.2Å; F788-P790 HydrophobicContact CE1-CB 4.15Å; F788-P790 HydrophobicContact CZ-CB 4.44Å
789T73.1Confident73Confident80 Ų8060.1 Ų60.149%0.49134%0.341SS..  trans-101.4120.2166.949.50000109.1W794T789-W794 PolarHBondContact O-NE1 3.48Å; T789-W794 VanDerWaalsContact O-NE1 3.17Å
790P73.7Confident71.8Confident4 Ų456.6 Ų56.63%0.02634%0.342CS..  trans-68146.4-177.827.6-34.4000111.2Y747 D751 F788 S792 L793 W794Y747-P790 HydrophobicContact CD1-CG 4.22Å; Y747-P790 HydrophobicContact CE1-CB 4.41Å; Y747-P790 HydrophobicContact CE1-CG 3.87Å; Y747-P790 HydrophobicContact CE2-CB 4.45Å; D751-P790 HydrophobicContact CB-CB 3.73Å; D751-P790 VanDerWaalsContact CG-CB 3.45Å; F788-P790 HydrophobicContact CE1-CB 4.15Å; F788-P790 HydrophobicContact CZ-CB 4.44Å; P790-S792 PolarHBondContact O-N 3.4Å; P790-L793 HydrophobicContact CG-CB 3.94Å; P790-L793 HydrophobicContact CG-CD1 3.29Å; P790-L793 HydrophobicContact CG-CG 3.65Å; P790-L793 PolarHBondContact O-N 3.01Å; P790-W794 PolarHBondContact O-N 2.82Å
791P72.6Confident70.3Confident29 Ų2957.6 Ų57.619%0.18835%0.349CS..G310 helixtrans-52-33.4175.6-29.531.7000115.6D751 V754 L793 W794D751-P791 WeakPolarHBondContact OD1-CD 3.46Å; V754-P791 HydrophobicContact CG2-CG 4.48Å; P791-L793 PolarHBondContact O-N 2.89Å; P791-W794 HydrophobicContact CB-CD2 4.18Å; P791-W794 HydrophobicContact CB-CE3 4.01Å; P791-W794 HydrophobicContact CB-CH2 4.25Å; P791-W794 HydrophobicContact CB-CZ2 4.39Å; P791-W794 HydrophobicContact CB-CZ3 4.04Å; P791-W794 HydrophobicContact CG-CH2 3.96Å; P791-W794 HydrophobicContact CG-CZ2 3.96Å; P791-W794 HydrophobicContact CG-CZ3 4.26Å; P791-W794 PolarHBondContact O-N 3.42Å
792S66.3Low68.6Low46 Ų4661.7 Ų61.732%0.32239%0.391SS..G310 helixtrans-63.3-23.1175.357.10000114D751 P790D751-S792 PolarHBondContact OD1-N 3.26Å; D751-S792 VanDerWaalsContact OD2-CB 3.24Å; D751-S792 WeakPolarHBondContact OD2-CB 3.47Å; D751-S792 PolarHBondContact OD2-OG 3.47Å; P790-S792 PolarHBondContact O-N 3.4Å
793L67.6Low67.3Low11 Ų1161.2 Ų61.26%0.05839%0.39CS..G310 helixtrans-104.93.5180-58.2172.7000112.4P790 P791 G795 V796 L798 A899P790-L793 HydrophobicContact CG-CB 3.94Å; P790-L793 HydrophobicContact CG-CD1 3.29Å; P790-L793 HydrophobicContact CG-CG 3.65Å; P790-L793 PolarHBondContact O-N 3.01Å; P791-L793 PolarHBondContact O-N 2.89Å; L793-G795 PolarHBondContact O-N 2.97Å; L793-V796 PolarHBondContact O-N 3.36Å; L793-L798 HydrophobicContact CB-CD1 3.84Å; L793-L798 HydrophobicContact CD1-CD1 3.42Å; L793-L798 VanDerWaalsContact CD1-CD1 3.42Å; L793-L798 HydrophobicContact CD2-CD1 4.23Å; L793-L798 HydrophobicContact CG-CD1 4Å; L793-A899 HydrophobicContact CD2-CB 4.17Å
794W63.1Low66.2Low181 Ų18159 Ų5969%0.68638%0.384SS*.THydrogen-bonded Turntrans-64.3122.6173.7-71.9-10.5000110.5T789 P790 P791T789-W794 PolarHBondContact O-NE1 3.48Å; T789-W794 VanDerWaalsContact O-NE1 3.17Å; P790-W794 PolarHBondContact O-N 2.82Å; P791-W794 HydrophobicContact CB-CD2 4.18Å; P791-W794 HydrophobicContact CB-CE3 4.01Å; P791-W794 HydrophobicContact CB-CH2 4.25Å; P791-W794 HydrophobicContact CB-CZ2 4.39Å; P791-W794 HydrophobicContact CB-CZ3 4.04Å; P791-W794 HydrophobicContact CG-CH2 3.96Å; P791-W794 HydrophobicContact CG-CZ2 3.96Å; P791-W794 HydrophobicContact CG-CZ3 4.26Å; P791-W794 PolarHBondContact O-N 3.42Å
795G52.5Low65.4Low68 Ų6858.9 Ų58.970%0.70138%0.383SS*.THydrogen-bonded Turntrans96.6-4.1-172.700000114.3L793L793-G795 PolarHBondContact O-N 2.97Å
796V56.7Low65.1Low21 Ų2157.4 Ų57.413%0.12738%0.375CS..SBendtrans-98.1113.8162.3-169.40000106.9L793 L798 I870 R895L793-V796 PolarHBondContact O-N 3.36Å; V796-L798 HydrophobicContact CB-CD2 4.49Å; V796-L798 HydrophobicContact CB-CG 4.19Å; V796-L798 HydrophobicContact CG1-CD2 3.67Å; V796-L798 HydrophobicContact CG1-CG 3.86Å; V796-L798 PolarHBondContact O-N 3.22Å; V796-I870 HydrophobicContact CG1-CD1 4.07Å; V796-I870 HydrophobicContact CG1-CG1 4.41Å; V796-R895 HydrophobicContact CG1-CB 4.3Å; V796-R895 HydrophobicContact CG2-CB 4.1Å; V796-R895 HydrophobicContact CG2-CG 3.84Å
797D55.8Low65Low118 Ų11860.6 Ų60.663%0.63138%0.383SS*.  trans-69.676.4170-63.8-35.9000108.4H799D797-H799 VanDerWaalsContact C-N 3.25Å; D797-H799 PolarHBondContact O-N 3.23Å
798L60.4Low65.1Low35 Ų3563.1 Ų63.118%0.18337%0.367CS..  trans-70.593.2168.7-65.8177000106L793 V796 T800 N868 I870 A899L793-L798 HydrophobicContact CB-CD1 3.84Å; L793-L798 HydrophobicContact CD1-CD1 3.42Å; L793-L798 VanDerWaalsContact CD1-CD1 3.42Å; L793-L798 HydrophobicContact CD2-CD1 4.23Å; L793-L798 HydrophobicContact CG-CD1 4Å; V796-L798 HydrophobicContact CB-CD2 4.49Å; V796-L798 HydrophobicContact CB-CG 4.19Å; V796-L798 HydrophobicContact CG1-CD2 3.67Å; V796-L798 HydrophobicContact CG1-CG 3.86Å; V796-L798 PolarHBondContact O-N 3.22Å; L798-T800 PolarHBondContact O-N 2.79Å; L798-N868 HydrophobicContact CD2-CB 4.18Å; L798-I870 HydrophobicContact CD2-CD1 4.26Å; L798-I870 HydrophobicContact CD2-CG1 3.95Å; L798-A899 HydrophobicContact CD2-CB 4.02Å
799H59.9Low65.4Low99 Ų9963 Ų6346%0.45837%0.368SS..  trans-64.996.9165.4-65.4-56.3000106.3D797 P801 F869D797-H799 VanDerWaalsContact C-N 3.25Å; D797-H799 PolarHBondContact O-N 3.23Å; H799-P801 WeakPolarHBondContact O-CD 3.41Å; H799-P801 VanDerWaalsContact O-N 3.13Å; H799-F869 HydrophobicContact CB-CD1 4.38Å; H799-F869 PolarHBondContact N-O 2.95Å
800T57.4Low65.8Low128 Ų12859.9 Ų59.979%0.78535%0.352SS*.  trans-53.3124.6154.7-11.20000103.9L798 G802L798-T800 PolarHBondContact O-N 2.79Å; T800-G802 PolarHBondContact O-N 3.35Å
801P55.9Low66.3Low29 Ų2960.1 Ų60.119%0.18836%0.355CS..  trans-67.982.5-175.625.7-33.3000108.9H799 G803 K863H799-P801 WeakPolarHBondContact O-CD 3.41Å; H799-P801 VanDerWaalsContact O-N 3.13Å; P801-G803 PolarHBondContact O-N 2.86Å; P801-K863 HydrophobicContact CB-CB 3.92Å; P801-K863 HydrophobicContact CB-CG 4.44Å; P801-K863 VanDerWaalsContact CG-CA 3.46Å; P801-K863 HydrophobicContact CG-CB 3.78Å; P801-K863 HydrophobicContact CG-CG 4.16Å
802G51Low66.8Low87 Ų8760.4 Ų60.490%0.89736%0.355SS*.  trans-68.374.4164.200000106.2T800T800-G802 PolarHBondContact O-N 3.35Å
803G58.3Low67.8Low32 Ų3265 Ų6533%0.3337%0.371SS..SBendtrans-154.4169.4-159.300000111.7P801 K863P801-G803 PolarHBondContact O-N 2.86Å; G803-K863 WeakPolarHBondContact O-CD 3.39Å; G803-K863 VanDerWaalsContact O-CE 3.25Å; G803-K863 WeakPolarHBondContact O-CE 3.47Å; G803-K863 PolarHBondContact O-NZ 3.42Å
804V62Low68.7Low58 Ų5871.8 Ų71.835%0.35240%0.403SS..  trans-71.5127.7-175.9169.40000109.5R808 A860V804-R808 HydrophobicContact CG1-CB 3.1Å; V804-R808 HydrophobicContact CG1-CG 3.71Å; V804-A860 WeakPolarHBondContact O-CA 3.44Å
805G70.1Confident69.9Low1 Ų163.6 Ų63.61%0.0137%0.373CS..  trans-68.8163.4175.400000111.5E807 R808G805-E807 WeakPolarHBondContact CA-OE1 3.44Å; G805-E807 PolarHBondContact O-N 2.83Å; G805-R808 PolarHBondContact O-N 3.12Å
806L77.4Confident71.6Confident2 Ų264.4 Ų64.41%0.0135%0.354CS..G310 helixtrans-63.1-15.4-176.5-158.265.2000112.9R808 V809 R816 M820 L857 A860 V861 D864L806-R808 PolarHBondContact O-N 3.4Å; L806-V809 HydrophobicContact CD1-CG2 4.25Å; L806-V809 PolarHBondContact O-N 2.76Å; L806-R816 HydrophobicContact CD1-CG 4.24Å; L806-R816 HydrophobicContact CD2-CG 3.9Å; L806-R816 VanDerWaalsContact CD2-NH2 3.29Å; L806-R816 HydrophobicContact CG-CG 4.27Å; L806-R816 VanDerWaalsContact CG-NE 3.33Å; L806-R816 PolarHBondContact O-NH1 3.08Å; L806-R816 VanDerWaalsContact O-NH1 3.08Å; L806-M820 HydrophobicContact CD2-CE 3.49Å; L806-M820 VanDerWaalsContact CD2-CE 3.49Å; L806-M820 HydrophobicContact CD2-CG 4.36Å; L806-M820 HydrophobicContact CD2-SD 4.04Å; L806-L857 HydrophobicContact CD1-CD1 4.15Å; L806-A860 HydrophobicContact CB-CB 4.44Å; L806-A860 HydrophobicContact CD1-CB 3.77Å; L806-V861 HydrophobicContact CD1-CG2 4Å; L806-D864 WeakPolarHBondContact CB-OD2 3.36Å; L806-D864 WeakPolarHBondContact CD2-OD2 3.11Å; L806-D864 PolarHBondContact N-OD1 3.16Å
807E78.4Confident73.1Confident137 Ų13768.9 Ų68.964%0.6437%0.374SS*.G310 helixtrans-62.1-21.7170.366.6-84.1173.800114.7G805G805-E807 WeakPolarHBondContact CA-OE1 3.44Å; G805-E807 PolarHBondContact O-N 2.83Å
808R76Confident74.7Confident136 Ų13668 Ų6851%0.51337%0.366SS..G310 helixtrans-104.46.2-179.5-64.1-158.9-170.3178.1-6.1112.9V804 G805 L806 A986V804-R808 HydrophobicContact CG1-CB 3.1Å; V804-R808 HydrophobicContact CG1-CG 3.71Å; G805-R808 PolarHBondContact O-N 3.12Å; L806-R808 PolarHBondContact O-N 3.4Å; R808-A986 WeakPolarHBondContact O-CB 2.96Å
809V84.5Confident75.9Confident20 Ų2066.3 Ų66.312%0.12136%0.357CS..  trans-95.1109.5169.4-168.90000107.7L806 L856 L857 A860L806-V809 HydrophobicContact CD1-CG2 4.25Å; L806-V809 PolarHBondContact O-N 2.76Å; V809-L856 HydrophobicContact CB-CD2 4.26Å; V809-L856 HydrophobicContact CG1-CD2 4.15Å; V809-L856 HydrophobicContact CG2-CD2 3.37Å; V809-L857 HydrophobicContact CG1-CD1 4.22Å; V809-A860 HydrophobicContact CG2-CB 3.53Å
810G81.4Confident77.1Confident15 Ų1563.2 Ų63.216%0.15534%0.343CS..  trans-89146.7176.500000112.2I983G810-I983 VanDerWaalsContact O-CG1 3.3Å; G810-I983 WeakPolarHBondContact O-CG1 3.17Å
811G84.8Confident78.5Confident10 Ų1060.8 Ų60.810%0.10333%0.326CS..SBendtrans73.1-170.3-178.400000114.9Q813 E982G811-Q813 VanDerWaalsContact C-N 3.32Å; G811-Q813 PolarHBondContact O-N 3.11Å; G811-E982 WeakPolarHBondContact CA-OE2 3.44Å; G811-E982 PolarHBondContact N-OE2 3.35Å
812L84.1Confident79.9Confident35 Ų3560.1 Ų60.118%0.18332%0.321CS..  trans56.338.1176.2-62.7167000114.4E814 V815 R816 C972 P973L812-E814 VanDerWaalsContact C-N 3.35Å; L812-E814 PolarHBondContact O-N 3.41Å; L812-V815 HydrophobicContact CB-CB 4.45Å; L812-V815 HydrophobicContact CD2-CG2 4.32Å; L812-V815 PolarHBondContact O-N 3.11Å; L812-R816 WeakPolarHBondContact O-CB 3.37Å; L812-R816 PolarHBondContact O-N 3.39Å; L812-C972 HydrophobicContact CD2-CB 4.41Å; L812-P973 HydrophobicContact CD2-CG 4Å
813Q85.9Confident81.4Confident143 Ų14356 Ų5667%0.66828%0.279SS*.Hα-helixtrans-58.1-43.4-174.6-170.5171.9-1.900112.9G811 R816 E817G811-Q813 VanDerWaalsContact C-N 3.32Å; G811-Q813 PolarHBondContact O-N 3.11Å; Q813-R816 PolarHBondContact O-N 3.3Å; Q813-E817 WeakPolarHBondContact O-CB 3.32Å; Q813-E817 PolarHBondContact O-N 2.99Å
814E87.6Confident82.5Confident152 Ų15258.7 Ų58.771%0.7129%0.285SS*.Hα-helixtrans-62-45.7178.9-62.1-179.3177.700112.2L812 E817 Q818L812-E814 VanDerWaalsContact C-N 3.35Å; L812-E814 PolarHBondContact O-N 3.41Å; E814-E817 PolarHBondContact O-N 3.16Å; E814-Q818 VanDerWaalsContact O-CG 3.3Å; E814-Q818 WeakPolarHBondContact O-CG 3.34Å; E814-Q818 PolarHBondContact O-N 3.33Å
815V88.3Confident83.5Confident10 Ų1059.2 Ų59.26%0.06129%0.286CS..Hα-helixtrans-66.8-41179.8-176.70000110.4L812 L819 L846 L857 L970 Y971L812-V815 HydrophobicContact CB-CB 4.45Å; L812-V815 HydrophobicContact CD2-CG2 4.32Å; L812-V815 PolarHBondContact O-N 3.11Å; V815-L819 VanDerWaalsContact O-CB 3.24Å; V815-L819 WeakPolarHBondContact O-CB 3.31Å; V815-L819 PolarHBondContact O-N 3.45Å; V815-L846 HydrophobicContact CG1-CD2 3.77Å; V815-L857 HydrophobicContact CG1-CD2 3.8Å; V815-L970 HydrophobicContact CG1-CB 4.19Å; V815-L970 HydrophobicContact CG1-CD1 4.12Å; V815-Y971 VanDerWaalsContact CG2-O 3.24Å; V815-Y971 WeakPolarHBondContact CG2-O 3.45Å
816R87.6Confident83.9Confident84 Ų8460.2 Ų60.232%0.31729%0.292SS..Hα-helixtrans-60.9-47.9176.5174.3-177.1167.3159.46.3111.4L806 L812 Q813 L819 M820 L857L806-R816 HydrophobicContact CD1-CG 4.24Å; L806-R816 HydrophobicContact CD2-CG 3.9Å; L806-R816 VanDerWaalsContact CD2-NH2 3.29Å; L806-R816 HydrophobicContact CG-CG 4.27Å; L806-R816 VanDerWaalsContact CG-NE 3.33Å; L806-R816 PolarHBondContact O-NH1 3.08Å; L806-R816 VanDerWaalsContact O-NH1 3.08Å; L812-R816 WeakPolarHBondContact O-CB 3.37Å; L812-R816 PolarHBondContact O-N 3.39Å; Q813-R816 PolarHBondContact O-N 3.3Å; R816-L819 PolarHBondContact O-N 3.45Å; R816-M820 HydrophobicContact CG-CG 4.47Å; R816-M820 WeakPolarHBondContact O-CB 3.47Å; R816-M820 WeakPolarHBondContact O-CG 3.43Å; R816-M820 PolarHBondContact O-N 2.9Å; R816-L857 HydrophobicContact CB-CD1 4.45Å
817E88.4Confident83.8Confident116 Ų11662.9 Ų62.954%0.54231%0.314SS..Hα-helixtrans-63.5-46.8-179.8-171.9171.5-168.400111.2Q813 E814 L819 M820 D821Q813-E817 WeakPolarHBondContact O-CB 3.32Å; Q813-E817 PolarHBondContact O-N 2.99Å; E814-E817 PolarHBondContact O-N 3.16Å; E817-L819 VanDerWaalsContact C-N 3.32Å; E817-L819 PolarHBondContact O-N 2.98Å; E817-M820 PolarHBondContact O-N 3.17Å; E817-D821 WeakPolarHBondContact O-CB 3.4Å; E817-D821 PolarHBondContact O-N 2.91Å
818Q88.4Confident83.8Confident99 Ų9962.8 Ų62.846%0.46331%0.311SS..Hα-helixtrans-62.7-37.5177.7-70.7177.58.600113.2E814 T822 L970E814-Q818 VanDerWaalsContact O-CG 3.3Å; E814-Q818 WeakPolarHBondContact O-CG 3.34Å; E814-Q818 PolarHBondContact O-N 3.33Å; Q818-T822 WeakPolarHBondContact O-CB 3.33Å; Q818-T822 PolarHBondContact O-N 3.47Å; Q818-T822 VanDerWaalsContact O-N 3.1Å; Q818-T822 PolarHBondContact O-OG1 3.22Å; Q818-L970 HydrophobicContact CB-CD2 4.26Å
819L87.5Confident84.1Confident0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-69.8-43.2177.1-168.373000110.9V815 R816 E817 T822 I823 I844 L857 V861 L947 L970V815-L819 VanDerWaalsContact O-CB 3.24Å; V815-L819 WeakPolarHBondContact O-CB 3.31Å; V815-L819 PolarHBondContact O-N 3.45Å; R816-L819 PolarHBondContact O-N 3.45Å; E817-L819 VanDerWaalsContact C-N 3.32Å; E817-L819 PolarHBondContact O-N 2.98Å; L819-T822 PolarHBondContact O-N 3.49Å; L819-I823 HydrophobicContact CD1-CD1 4.17Å; L819-I823 HydrophobicContact CG-CD1 4.13Å; L819-I823 WeakPolarHBondContact O-CG1 3.33Å; L819-I823 PolarHBondContact O-N 2.91Å; L819-I823 VanDerWaalsContact O-N 3.14Å; L819-I844 HydrophobicContact CD1-CD1 3.7Å; L819-I844 HydrophobicContact CD1-CG2 4.28Å; L819-L857 HydrophobicContact CD2-CD2 4.49Å; L819-L857 HydrophobicContact CD2-CG 4.29Å; L819-V861 HydrophobicContact CD2-CB 3.9Å; L819-V861 HydrophobicContact CD2-CG1 3.92Å; L819-V861 HydrophobicContact CD2-CG2 3.34Å; L819-V861 HydrophobicContact CG-CG1 4.18Å; L819-V861 HydrophobicContact CG-CG2 4.22Å; L819-L947 HydrophobicContact CD1-CD2 4.2Å; L819-L970 HydrophobicContact CB-CD1 4.35Å; L819-L970 HydrophobicContact CD1-CD1 4.05Å
820M85.1Confident83.7Confident33 Ų3363.7 Ų63.716%0.16332%0.323CS..Hα-helixtrans-60.7-49.3174.5-74.7-75.6131.500111.3L806 R816 E817 T822 I823 L824 V861 D864L806-M820 HydrophobicContact CD2-CE 3.49Å; L806-M820 VanDerWaalsContact CD2-CE 3.49Å; L806-M820 HydrophobicContact CD2-CG 4.36Å; L806-M820 HydrophobicContact CD2-SD 4.04Å; R816-M820 HydrophobicContact CG-CG 4.47Å; R816-M820 WeakPolarHBondContact O-CB 3.47Å; R816-M820 WeakPolarHBondContact O-CG 3.43Å; R816-M820 PolarHBondContact O-N 2.9Å; E817-M820 PolarHBondContact O-N 3.17Å; M820-T822 VanDerWaalsContact C-N 3.3Å; M820-T822 PolarHBondContact O-N 3.1Å; M820-I823 PolarHBondContact O-N 3.47Å; M820-L824 WeakPolarHBondContact O-CA 3.23Å; M820-L824 WeakPolarHBondContact O-CB 3.43Å; M820-L824 PolarHBondContact O-N 3.29Å; M820-V861 HydrophobicContact CE-CB 3.69Å; M820-V861 HydrophobicContact CE-CG1 3.6Å; M820-V861 HydrophobicContact CE-CG2 3.28Å; M820-D864 HydrophobicContact CE-CB 4.45Å
821D86Confident83.6Confident77 Ų7769 Ų6941%0.41235%0.347SS..Hα-helixtrans-61-41.2179.7-78-11.6000111.8E817 L825E817-D821 WeakPolarHBondContact O-CB 3.4Å; E817-D821 PolarHBondContact O-N 2.91Å; D821-L825 HydrophobicContact CB-CD1 3.82Å; D821-L825 HydrophobicContact CB-CG 4.48Å; D821-L825 WeakPolarHBondContact O-CB 3.46Å; D821-L825 WeakPolarHBondContact O-CD1 3.38Å; D821-L825 VanDerWaalsContact O-CG 3.26Å; D821-L825 WeakPolarHBondContact O-CG 3.32Å; D821-L825 PolarHBondContact O-N 2.86Å
822T84.8Confident83.6Confident16 Ų1673.7 Ų73.710%0.09837%0.369CS..Hα-helixtrans-69.1-36-177.4-55.60000112.4Q818 L819 M820 P826 C841 I844 K968Q818-T822 WeakPolarHBondContact O-CB 3.33Å; Q818-T822 PolarHBondContact O-N 3.47Å; Q818-T822 VanDerWaalsContact O-N 3.1Å; Q818-T822 PolarHBondContact O-OG1 3.22Å; L819-T822 PolarHBondContact O-N 3.49Å; M820-T822 VanDerWaalsContact C-N 3.3Å; M820-T822 PolarHBondContact O-N 3.1Å; T822-P826 VanDerWaalsContact O-CD 3.27Å; T822-P826 WeakPolarHBondContact O-CD 3.48Å; T822-P826 WeakPolarHBondContact O-CG 3.38Å; T822-C841 HydrophobicContact CG2-CB 4.26Å; T822-I844 HydrophobicContact CG2-CD1 3.73Å; T822-I844 HydrophobicContact CG2-CG1 4.42Å; T822-K968 PolarHBondContact OG1-NZ 2.92Å; T822-K968 VanDerWaalsContact OG1-NZ 3.07Å
823I82.8Confident83.3Confident1 Ų174.2 Ų74.21%0.00537%0.37CS..Hα-helixtrans-91.1-42.9-177.6-61.6172.1000111.8L819 M820 V861 M867 L947L819-I823 HydrophobicContact CD1-CD1 4.17Å; L819-I823 HydrophobicContact CG-CD1 4.13Å; L819-I823 WeakPolarHBondContact O-CG1 3.33Å; L819-I823 PolarHBondContact O-N 2.91Å; L819-I823 VanDerWaalsContact O-N 3.14Å; M820-I823 PolarHBondContact O-N 3.47Å; I823-V861 HydrophobicContact CD1-CG1 3.77Å; I823-M867 HydrophobicContact CG2-SD 3.87Å; I823-L947 HydrophobicContact CD1-CD1 4.32Å; I823-L947 HydrophobicContact CD1-CD2 4.46Å
824L82.2Confident83Confident87 Ų8771.4 Ų71.446%0.45537%0.366SS..Hα-helixtrans-81.5-36.6-171.6-170.966.2000113.1M820 A827 K828M820-L824 WeakPolarHBondContact O-CA 3.23Å; M820-L824 WeakPolarHBondContact O-CB 3.43Å; M820-L824 PolarHBondContact O-N 3.29Å; L824-A827 PolarHBondContact O-N 3.37Å; L824-K828 VanDerWaalsContact O-CB 3.28Å; L824-K828 WeakPolarHBondContact O-CB 3.24Å; L824-K828 PolarHBondContact O-N 3.13Å
825L81.8Confident82.8Confident70 Ų7070.2 Ų70.237%0.36637%0.365SS..Hα-helixtrans-62.5-46.8-178.1-69.6167.8000112.6D821 A827 K828 Y829 F833D821-L825 HydrophobicContact CB-CD1 3.82Å; D821-L825 HydrophobicContact CB-CG 4.48Å; D821-L825 WeakPolarHBondContact O-CB 3.46Å; D821-L825 WeakPolarHBondContact O-CD1 3.38Å; D821-L825 VanDerWaalsContact O-CG 3.26Å; D821-L825 WeakPolarHBondContact O-CG 3.32Å; D821-L825 PolarHBondContact O-N 2.86Å; L825-A827 VanDerWaalsContact C-N 3.32Å; L825-A827 PolarHBondContact O-N 2.92Å; L825-K828 PolarHBondContact O-N 2.89Å; L825-Y829 HydrophobicContact CD2-CD2 4.37Å; L825-Y829 HydrophobicContact CD2-CE2 4.26Å; L825-Y829 PolarHBondContact O-N 3.43Å; L825-F833 HydrophobicContact CB-CE2 4.09Å; L825-F833 HydrophobicContact CB-CZ 4.17Å; L825-F833 WeakPolarHBondContact O-CE2 3.37Å
826P79.8Confident82.4Confident22 Ų2273.7 Ų73.714%0.14338%0.382CS..Hα-helixtrans-66.8-35.6177.4-18.532.7000112.2T822 F833T822-P826 VanDerWaalsContact O-CD 3.27Å; T822-P826 WeakPolarHBondContact O-CD 3.48Å; T822-P826 WeakPolarHBondContact O-CG 3.38Å; P826-F833 HydrophobicContact CB-CD2 4.38Å; P826-F833 HydrophobicContact CG-CZ 4.47Å
827A74.9Confident82Confident58 Ų5876.2 Ų76.248%0.47941%0.41SS..Hα-helixtrans-66.1-39.2176.800000112.4L824 L825L824-A827 PolarHBondContact O-N 3.37Å; L825-A827 VanDerWaalsContact C-N 3.32Å; L825-A827 PolarHBondContact O-N 2.92Å
828K78Confident81.4Confident134 Ų13475.5 Ų75.558%0.58341%0.408SS*.Hα-helixtrans-78.7-32.8-178.5-170.5174179.5179.30113.2L824 L825 P830L824-K828 VanDerWaalsContact O-CB 3.28Å; L824-K828 WeakPolarHBondContact O-CB 3.24Å; L824-K828 PolarHBondContact O-N 3.13Å; L825-K828 PolarHBondContact O-N 2.89Å; K828-P830 VanDerWaalsContact C-CD 3.41Å
829Y81.6Confident80.6Confident99 Ų9978.3 Ų78.339%0.38842%0.415SS..  trans-126.853.5-174.7-54.3-67.7000114.2L825 I831 L832 F833L825-Y829 HydrophobicContact CD2-CD2 4.37Å; L825-Y829 HydrophobicContact CD2-CE2 4.26Å; L825-Y829 PolarHBondContact O-N 3.43Å; Y829-I831 VanDerWaalsContact C-N 3.27Å; Y829-I831 PolarHBondContact O-N 3.15Å; Y829-L832 HydrophobicContact CD1-CD1 4.29Å; Y829-L832 HydrophobicContact CG-CD1 4.18Å; Y829-L832 PolarHBondContact O-N 3.09Å; Y829-L832 VanDerWaalsContact O-N 3.09Å; Y829-F833 WeakPolarHBondContact O-CD2 3.44Å; Y829-F833 PolarHBondContact O-N 2.86Å
830P77.2Confident79.9Confident76 Ų7682 Ų8249%0.49443%0.432SS..Hα-helixtrans-59.7-35.5-173.524.1-34.3000113.1K828 L832 F833 S834K828-P830 VanDerWaalsContact C-CD 3.41Å; P830-L832 PolarHBondContact O-N 3.46Å; P830-F833 PolarHBondContact O-N 2.96Å; P830-S834 WeakPolarHBondContact O-CB 3.26Å; P830-S834 PolarHBondContact O-N 2.88Å; P830-S834 PolarHBondContact O-OG 2.96Å
831I79.3Confident79Confident128 Ų12882.4 Ų82.466%0.65644%0.437SS*.Hα-helixtrans-67.2-35.2-179.9-56.7168000112Y829 S834 N835Y829-I831 VanDerWaalsContact C-N 3.27Å; Y829-I831 PolarHBondContact O-N 3.15Å; I831-S834 WeakPolarHBondContact CA-OG 3.47Å; I831-S834 PolarHBondContact O-OG 3.47Å; I831-N835 VanDerWaalsContact O-CG 3.31Å; I831-N835 PolarHBondContact O-ND2 2.99Å; I831-N835 VanDerWaalsContact O-ND2 3.07Å
832L84.2Confident78.4Confident107 Ų10780 Ų8056%0.5643%0.426SS*.Hα-helixtrans-68.5-43175.5-69179.9000110Y829 P830 N835 L836Y829-L832 HydrophobicContact CD1-CD1 4.29Å; Y829-L832 HydrophobicContact CG-CD1 4.18Å; Y829-L832 PolarHBondContact O-N 3.09Å; Y829-L832 VanDerWaalsContact O-N 3.09Å; P830-L832 PolarHBondContact O-N 3.46Å; L832-N835 PolarHBondContact O-N 3.18Å; L832-L836 WeakPolarHBondContact O-CD1 3.3Å; L832-L836 VanDerWaalsContact O-CG 3.29Å; L832-L836 WeakPolarHBondContact O-CG 3.16Å; L832-L836 PolarHBondContact O-N 3.26Å
833F78.6Confident78.5Confident47 Ų4779.2 Ų79.221%0.20642%0.422CS..Hα-helixtrans-71.5-31.2-178.8-82.7-77.9000113.5L825 P826 Y829 P830 N835 L836L825-F833 HydrophobicContact CB-CE2 4.09Å; L825-F833 HydrophobicContact CB-CZ 4.17Å; L825-F833 WeakPolarHBondContact O-CE2 3.37Å; P826-F833 HydrophobicContact CB-CD2 4.38Å; P826-F833 HydrophobicContact CG-CZ 4.47Å; Y829-F833 WeakPolarHBondContact O-CD2 3.44Å; Y829-F833 PolarHBondContact O-N 2.86Å; P830-F833 PolarHBondContact O-N 2.96Å; F833-N835 VanDerWaalsContact C-N 3.28Å; F833-N835 PolarHBondContact O-N 3.48Å; F833-L836 PolarHBondContact O-N 3.06Å
834S78.8Confident78.8Confident84 Ų8479.3 Ų79.359%0.58742%0.422SS*.Hα-helixtrans-68.2-27.6174.563.80000113.1P830 I831P830-S834 WeakPolarHBondContact O-CB 3.26Å; P830-S834 PolarHBondContact O-N 2.88Å; P830-S834 PolarHBondContact O-OG 2.96Å; I831-S834 WeakPolarHBondContact CA-OG 3.47Å; I831-S834 PolarHBondContact O-OG 3.47Å
835N83.3Confident79.3Confident127 Ų12775.1 Ų75.168%0.67940%0.4SS*.THydrogen-bonded Turntrans-87.5-11.5179.3-66.7-23000113I831 L832 F833I831-N835 VanDerWaalsContact O-CG 3.31Å; I831-N835 PolarHBondContact O-ND2 2.99Å; I831-N835 VanDerWaalsContact O-ND2 3.07Å; L832-N835 PolarHBondContact O-N 3.18Å; F833-N835 VanDerWaalsContact C-N 3.28Å; F833-N835 PolarHBondContact O-N 3.48Å
836L80Confident79.8Confident82 Ų8271.8 Ų71.843%0.42938%0.383SS..SBendtrans-92.7136.3178.6-71.7166.4000109.6L832 F833 I838L832-L836 WeakPolarHBondContact O-CD1 3.3Å; L832-L836 VanDerWaalsContact O-CG 3.29Å; L832-L836 WeakPolarHBondContact O-CG 3.16Å; L832-L836 PolarHBondContact O-N 3.26Å; F833-L836 PolarHBondContact O-N 3.06Å; L836-I838 HydrophobicContact CB-CB 4.42Å; L836-I838 HydrophobicContact CB-CD1 4.2Å; L836-I838 HydrophobicContact CB-CG1 4.12Å; L836-I838 HydrophobicContact CD1-CD1 4.28Å; L836-I838 PolarHBondContact O-N 2.93Å
837P78.8Confident80.3Confident138 Ų13871.4 Ų71.490%0.89638%0.379SS*.SBendtrans-76.537.3174.434.7-36.9000111.7
838I76.1Confident81Confident100 Ų10068.6 Ų68.651%0.51336%0.356SS..  trans-106.3122-178.1-56.3174.6000107.4L836 H840L836-I838 HydrophobicContact CB-CB 4.42Å; L836-I838 HydrophobicContact CB-CD1 4.2Å; L836-I838 HydrophobicContact CB-CG1 4.12Å; L836-I838 HydrophobicContact CD1-CD1 4.28Å; L836-I838 PolarHBondContact O-N 2.93Å; I838-H840 PolarHBondContact O-N 2.56Å
839R72Confident81.4Confident159 Ų15962.5 Ų62.560%0.633%0.33SS*.  trans-65.2129.5171.5-176.1178.1177.7174.4-0.9109.1C841 G964R839-C841 PolarHBondContact O-N 3.38Å; R839-G964 VanDerWaalsContact CZ-CA 3.44Å; R839-G964 PolarHBondContact NH2-O 2.85Å
840H72.3Confident81.6Confident78 Ų7860.1 Ų60.136%0.36133%0.327SS..  trans-64.6132.9174-51.1-39.8000109.8I838 S842I838-H840 PolarHBondContact O-N 2.56Å; H840-S842 PolarHBondContact O-N 3.43Å; H840-S842 VanDerWaalsContact O-N 3.1Å
841C66.8Low81.9Confident40 Ų4058 Ų5827%0.2732%0.318SS..  trans-72.9101.2173.6-63.70000108.8T822 R839 D967T822-C841 HydrophobicContact CG2-CB 4.26Å; R839-C841 PolarHBondContact O-N 3.38Å; C841-D967 HydrophobicContact CB-CB 4.39Å
842S72.5Confident82.2Confident26 Ų2652.5 Ų52.518%0.18229%0.291CS..  trans-86.1-16.7-177.7-62.10000113.4H840 V946H840-S842 PolarHBondContact O-N 3.43Å; H840-S842 VanDerWaalsContact O-N 3.1Å; S842-V946 PolarHBondContact O-N 2.65Å
843G86.7Confident82.2Confident0 Ų048.9 Ų48.90%028%0.279CS..EExtended strand (participates in β ladder)trans-125.6131.9-17400000114.7V946 R965 D967 K968G843-V946 CarbonylContact C-O 3.58Å; G843-V946 VanDerWaalsContact CA-O 3.3Å; G843-V946 WeakPolarHBondContact CA-O 3.41Å; G843-R965 WeakPolarHBondContact CA-O 3.43Å; G843-D967 PolarHBondContact O-N 2.93Å; G843-D967 VanDerWaalsContact O-N 3.14Å; G843-K968 PolarHBondContact O-N 3.44Å
844I90.2Very high82.7Confident3 Ų347.3 Ų47.32%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-130.2130.3176.9-50.8176.6000109.8L819 T822 V946 L947 A948 K968 L970L819-I844 HydrophobicContact CD1-CD1 3.7Å; L819-I844 HydrophobicContact CD1-CG2 4.28Å; T822-I844 HydrophobicContact CG2-CD1 3.73Å; T822-I844 HydrophobicContact CG2-CG1 4.42Å; I844-V946 PolarHBondContact N-O 3.2Å; I844-L947 HydrophobicContact CB-CD2 3.64Å; I844-L947 HydrophobicContact CD1-CD2 3.78Å; I844-L947 HydrophobicContact CG1-CD2 3.95Å; I844-L947 HydrophobicContact CG2-CD2 4.48Å; I844-L947 WeakPolarHBondContact O-CA 3.31Å; I844-A948 PolarHBondContact O-N 3.36Å; I844-K968 CarbonylContact C-O 3.56Å; I844-K968 VanDerWaalsContact CA-O 3.31Å; I844-K968 WeakPolarHBondContact CA-O 3.42Å; I844-L970 HydrophobicContact CG2-CD1 3.59Å; I844-L970 HydrophobicContact CG2-CG 3.78Å
845L91.7Very high83.1Confident0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-108.2115.3174.7178.866.6000110.7A948 T950 I956 L961 L966 K968 S969 L970 F1220L845-A948 CarbonylContact C-O 3.52Å; L845-A948 WeakPolarHBondContact CA-O 3.3Å; L845-A948 HydrophobicContact CD1-CB 3.71Å; L845-T950 HydrophobicContact CD1-CG2 3.95Å; L845-T950 HydrophobicContact CG-CG2 4.46Å; L845-I956 HydrophobicContact CD1-CD1 4.12Å; L845-I956 HydrophobicContact CD2-CD1 4.1Å; L845-L961 HydrophobicContact CD2-CD2 3.45Å; L845-L961 VanDerWaalsContact CD2-CD2 3.45Å; L845-L966 HydrophobicContact CB-CB 4.45Å; L845-L966 HydrophobicContact CB-CD1 4.34Å; L845-L966 HydrophobicContact CD1-CD1 4.46Å; L845-K968 PolarHBondContact N-O 2.81Å; L845-S969 CarbonylContact O-C 3.58Å; L845-S969 VanDerWaalsContact O-CA 3.29Å; L845-S969 WeakPolarHBondContact O-CA 3.31Å; L845-L970 PolarHBondContact O-N 2.9Å; L845-F1220 HydrophobicContact CD2-CZ 4.46Å
846L92.2Very high83.3Confident0 Ų042.8 Ų42.80%024%0.243CC..EExtended strand (participates in β ladder)trans-92.5120.9172.7-74.5150.5000109.8V815 L857 I858 A948 A949 T950 L970V815-L846 HydrophobicContact CG1-CD2 3.77Å; L846-L857 HydrophobicContact CD2-CD2 4.46Å; L846-I858 HydrophobicContact CD1-CD1 3.3Å; L846-I858 HydrophobicContact CD1-CG1 3.33Å; L846-A948 PolarHBondContact N-O 2.74Å; L846-A949 WeakPolarHBondContact O-CA 3.29Å; L846-T950 PolarHBondContact O-N 2.85Å; L846-L970 WeakPolarHBondContact CA-O 3.36Å; L846-L970 HydrophobicContact CD2-CB 3.65Å; L846-L970 HydrophobicContact CD2-CD1 4.03Å; L846-L970 HydrophobicContact CD2-CG 4.46Å; L846-L970 HydrophobicContact CG-CB 4.29Å
847Y91.4Very high83.7Confident13 Ų1338.9 Ų38.95%0.05122%0.222CC..EExtended strand (participates in β ladder)trans-130.4147.1179.170.4-85.5000111.9T950 P953 L970 Y971 C972 Y1217 F1220Y847-T950 WeakPolarHBondContact CA-O 3.39Å; Y847-P953 HydrophobicContact CD2-CG 4.04Å; Y847-P953 HydrophobicContact CG-CB 4.4Å; Y847-P953 HydrophobicContact CG-CG 4.34Å; Y847-L970 WeakPolarHBondContact CD1-O 3.4Å; Y847-L970 PolarHBondContact N-O 3.35Å; Y847-Y971 AromaticContact CD2-CD2 3.85Å; Y847-Y971 HydrophobicContact CD2-CD2 3.85Å; Y847-Y971 AromaticContact CE2-CD2 3.45Å; Y847-Y971 HydrophobicContact CE2-CD2 3.45Å; Y847-Y971 VanDerWaalsContact CE2-CD2 3.45Å; Y847-Y971 HydrophobicContact CE2-CE2 4.36Å; Y847-Y971 HydrophobicContact CE2-CG 4.02Å; Y847-Y971 WeakPolarHBondContact O-CA 3.48Å; Y847-C972 PolarHBondContact O-N 3.42Å; Y847-Y1217 AromaticContact CD2-CD1 3.98Å; Y847-Y1217 HydrophobicContact CD2-CD1 3.98Å; Y847-Y1217 HydrophobicContact CE2-CD1 4.4Å; Y847-F1220 HydrophobicContact CD1-CD1 4.31Å; Y847-F1220 HydrophobicContact CD1-CE1 4.02Å; Y847-F1220 HydrophobicContact CD2-CD1 4.16Å; Y847-F1220 AromaticContact CE1-CD1 3.93Å; Y847-F1220 HydrophobicContact CE1-CD1 3.93Å; Y847-F1220 AromaticContact CE1-CE1 3.86Å; Y847-F1220 HydrophobicContact CE1-CE1 3.86Å; Y847-F1220 AromaticContact CE2-CD1 3.76Å; Y847-F1220 HydrophobicContact CE2-CD1 3.76Å; Y847-F1220 HydrophobicContact CE2-CE1 4.42Å; Y847-F1220 HydrophobicContact CG-CD1 4.4Å; Y847-F1220 HydrophobicContact CG-CE1 4.37Å; Y847-F1220 AromaticContact CZ-CD1 3.62Å
848G89.7Confident84.1Confident0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans163.9-179.5178.100000112K854 T950 S951 Y1217G848-K854 PolarHBondContact O-NZ 3.46Å; G848-T950 PolarHBondContact N-O 2.95Å; G848-S951 WeakPolarHBondContact O-CA 3.35Å; G848-Y1217 VanDerWaalsContact C-CZ 3.44Å; G848-Y1217 PolarHBondContact O-OH 2.61Å
849A85.7Confident84.5Confident6 Ų633.4 Ų33.45%0.0518%0.177CC..  trans-56.9148.7-177.100000112.4T852 K854 L1205 Y1217A849-T852 HydrophobicContact CB-CG2 3.97Å; A849-T852 WeakPolarHBondContact O-CG2 3.35Å; A849-T852 PolarHBondContact O-OG1 3.36Å; A849-K854 PolarHBondContact O-NZ 3.45Å; A849-L1205 HydrophobicContact CB-CD1 4.04Å; A849-Y1217 WeakPolarHBondContact CA-OH 3.23Å; A849-Y1217 HydrophobicContact CB-CE2 4.24Å; A849-Y1217 PolarHBondContact N-OH 3.05Å
850P86.6Confident85.2Confident49 Ų4925.9 Ų25.932%0.31815%0.149SC..THydrogen-bonded Turntrans-59.9143.7171.127.1-34000109.9L1205P850-L1205 HydrophobicContact CG-CD2 4.32Å
851G83.5Confident85.8Confident30 Ų3022.1 Ų22.131%0.30913%0.132SC..THydrogen-bonded Turntrans83.44178.800000116.5G853 G1011 A1012G851-G853 VanDerWaalsContact C-N 3.29Å; G851-G853 PolarHBondContact O-N 3.25Å; G851-G1011 PolarHBondContact O-N 3.1Å; G851-G1011 VanDerWaalsContact O-N 3.17Å; G851-A1012 PolarHBondContact O-N 3.33Å; G851-A1012 VanDerWaalsContact O-N 3.07Å
852T85.2Confident86.6Confident13 Ų1320.2 Ų20.28%0.0812%0.119CC..SBendtrans-81.91.3175.257.30000114.8A849A849-T852 HydrophobicContact CB-CG2 3.97Å; A849-T852 WeakPolarHBondContact O-CG2 3.35Å; A849-T852 PolarHBondContact O-OG1 3.36Å
853G83.4Confident87.1Confident31 Ų3123 Ų2332%0.3213%0.128SC..  trans84.420.9174.300000115.9G851 T855 L856 L857G851-G853 VanDerWaalsContact C-N 3.29Å; G851-G853 PolarHBondContact O-N 3.25Å; G853-T855 PolarHBondContact O-N 3.07Å; G853-L856 WeakPolarHBondContact O-CA 2.98Å; G853-L856 WeakPolarHBondContact O-CB 2.95Å; G853-L856 PolarHBondContact O-N 3.21Å; G853-L857 PolarHBondContact O-N 2.95Å
854K89.3Confident86.9Confident14 Ų1426.8 Ų26.86%0.06115%0.148CC..Hα-helixtrans-49.5-52.6177.3-59.1-178.1-70.1-90.50113.1G848 A849 L856 L857 I858 A949 T950 S951 C972G848-K854 PolarHBondContact O-NZ 3.46Å; A849-K854 PolarHBondContact O-NZ 3.45Å; K854-L856 VanDerWaalsContact C-N 3.28Å; K854-L856 PolarHBondContact O-N 3.36Å; K854-L857 PolarHBondContact O-N 3.25Å; K854-I858 WeakPolarHBondContact O-CG1 3.26Å; K854-I858 PolarHBondContact O-N 3.14Å; K854-A949 HydrophobicContact CB-CB 4.32Å; K854-T950 VanDerWaalsContact CE-O 3.26Å; K854-T950 WeakPolarHBondContact CE-O 3.27Å; K854-S951 PolarHBondContact NZ-OG 3.17Å; K854-C972 HydrophobicContact CG-CB 4.26Å
855T88Confident86.3Confident37 Ų3728 Ų2823%0.22716%0.157CC..Hα-helixtrans-61.8-35.8177.1-47.90000112.2G853 R859 F905 D907G853-T855 PolarHBondContact O-N 3.07Å; T855-R859 VanDerWaalsContact O-CG 3.29Å; T855-R859 WeakPolarHBondContact O-CG 3.42Å; T855-R859 PolarHBondContact O-N 2.85Å; T855-F905 HydrophobicContact CG2-CE1 3.94Å; T855-F905 HydrophobicContact CG2-CZ 4.31Å; T855-D907 VanDerWaalsContact CG2-OD2 3.26Å; T855-D907 WeakPolarHBondContact CG2-OD2 3.19Å; T855-D907 PolarHBondContact OG1-OD1 3.48Å; T855-D907 PolarHBondContact OG1-OD2 3.43Å
856L86.7Confident85.5Confident79 Ų7931.4 Ų31.441%0.41419%0.192SC..Hα-helixtrans-71.5-42.6-179.9-168.4159.2000111.1V809 G853 K854 I858 R859 A860V809-L856 HydrophobicContact CB-CD2 4.26Å; V809-L856 HydrophobicContact CG1-CD2 4.15Å; V809-L856 HydrophobicContact CG2-CD2 3.37Å; G853-L856 WeakPolarHBondContact O-CA 2.98Å; G853-L856 WeakPolarHBondContact O-CB 2.95Å; G853-L856 PolarHBondContact O-N 3.21Å; K854-L856 VanDerWaalsContact C-N 3.28Å; K854-L856 PolarHBondContact O-N 3.36Å; L856-I858 PolarHBondContact O-N 2.93Å; L856-R859 PolarHBondContact O-N 3.32Å; L856-A860 WeakPolarHBondContact O-CB 3.46Å; L856-A860 PolarHBondContact O-N 2.79Å
857L88.3Confident84.8Confident1 Ų132.1 Ų32.11%0.00520%0.195CC..Hα-helixtrans-58.4-48.4177.2178.863.9000111.4L806 V809 V815 R816 L819 L846 G853 K854 R859 A860 V861L806-L857 HydrophobicContact CD1-CD1 4.15Å; V809-L857 HydrophobicContact CG1-CD1 4.22Å; V815-L857 HydrophobicContact CG1-CD2 3.8Å; R816-L857 HydrophobicContact CB-CD1 4.45Å; L819-L857 HydrophobicContact CD2-CD2 4.49Å; L819-L857 HydrophobicContact CD2-CG 4.29Å; L846-L857 HydrophobicContact CD2-CD2 4.46Å; G853-L857 PolarHBondContact O-N 2.95Å; K854-L857 PolarHBondContact O-N 3.25Å; L857-R859 PolarHBondContact O-N 3.42Å; L857-A860 PolarHBondContact O-N 3Å; L857-V861 HydrophobicContact CD1-CG2 4.39Å; L857-V861 VanDerWaalsContact O-CG2 3.29Å; L857-V861 WeakPolarHBondContact O-CG2 3.48Å; L857-V861 PolarHBondContact O-N 3.33Å
858I87.5Confident84.2Confident0 Ų033.9 Ų33.90%021%0.206CC..Hα-helixtrans-63.6-42.7-179.2-65.4164.6000111.2L846 K854 L856 A860 V861 A862 F869 F905 L947 A949L846-I858 HydrophobicContact CD1-CD1 3.3Å; L846-I858 HydrophobicContact CD1-CG1 3.33Å; K854-I858 WeakPolarHBondContact O-CG1 3.26Å; K854-I858 PolarHBondContact O-N 3.14Å; L856-I858 PolarHBondContact O-N 2.93Å; I858-A860 VanDerWaalsContact C-N 3.33Å; I858-A860 PolarHBondContact O-N 3.1Å; I858-V861 PolarHBondContact O-N 3.32Å; I858-A862 WeakPolarHBondContact O-CB 3.21Å; I858-A862 PolarHBondContact O-N 3.27Å; I858-F869 HydrophobicContact CG2-CE2 3.88Å; I858-F869 HydrophobicContact CG2-CZ 4.38Å; I858-F905 HydrophobicContact CB-CD2 4.39Å; I858-F905 HydrophobicContact CB-CE2 4.49Å; I858-F905 HydrophobicContact CD1-CD2 3.42Å; I858-F905 VanDerWaalsContact CD1-CD2 3.42Å; I858-F905 HydrophobicContact CD1-CE2 3.02Å; I858-F905 HydrophobicContact CD1-CG 4.42Å; I858-F905 HydrophobicContact CD1-CZ 3.72Å; I858-F905 HydrophobicContact CG1-CD2 4.43Å; I858-F905 HydrophobicContact CG1-CE2 4.32Å; I858-F905 HydrophobicContact CG2-CB 4.18Å; I858-F905 HydrophobicContact CG2-CD1 4.42Å; I858-F905 HydrophobicContact CG2-CD2 3.75Å; I858-F905 HydrophobicContact CG2-CE2 4.32Å; I858-F905 HydrophobicContact CG2-CG 3.82Å; I858-L947 HydrophobicContact CG1-CD1 4.41Å; I858-L947 HydrophobicContact CG2-CB 4.5Å; I858-L947 HydrophobicContact CG2-CD1 3.61Å; I858-A949 HydrophobicContact CD1-CB 4.29Å
859R85Confident84Confident122 Ų12234.2 Ų34.246%0.4621%0.207SC..Hα-helixtrans-61.9-40.3175.8-75.4176.8179-173.7-0.5112.2T855 L856 L857 K863 F869T855-R859 VanDerWaalsContact O-CG 3.29Å; T855-R859 WeakPolarHBondContact O-CG 3.42Å; T855-R859 PolarHBondContact O-N 2.85Å; L856-R859 PolarHBondContact O-N 3.32Å; L857-R859 PolarHBondContact O-N 3.42Å; R859-K863 PolarHBondContact O-N 3.43Å; R859-F869 HydrophobicContact CG-CE1 4.09Å; R859-F869 HydrophobicContact CG-CZ 3.98Å
860A86.1Confident84Confident1 Ų134.2 Ų34.21%0.00821%0.206CC..Hα-helixtrans-66.5-42.3176.800000111.7V804 L806 V809 L856 L857 I858 K863 D864V804-A860 WeakPolarHBondContact O-CA 3.44Å; L806-A860 HydrophobicContact CB-CB 4.44Å; L806-A860 HydrophobicContact CD1-CB 3.77Å; V809-A860 HydrophobicContact CG2-CB 3.53Å; L856-A860 WeakPolarHBondContact O-CB 3.46Å; L856-A860 PolarHBondContact O-N 2.79Å; L857-A860 PolarHBondContact O-N 3Å; I858-A860 VanDerWaalsContact C-N 3.33Å; I858-A860 PolarHBondContact O-N 3.1Å; A860-K863 WeakPolarHBondContact O-CB 3.41Å; A860-K863 PolarHBondContact O-N 2.88Å; A860-D864 PolarHBondContact O-N 3.5Å
861V85.6Confident84Confident0 Ų033.3 Ų33.30%020%0.201CC..Hα-helixtrans-63.8-41.7176.2165.60000112.4L806 L819 M820 I823 L857 I858 K863 D864 S865L806-V861 HydrophobicContact CD1-CG2 4Å; L819-V861 HydrophobicContact CD2-CB 3.9Å; L819-V861 HydrophobicContact CD2-CG1 3.92Å; L819-V861 HydrophobicContact CD2-CG2 3.34Å; L819-V861 HydrophobicContact CG-CG1 4.18Å; L819-V861 HydrophobicContact CG-CG2 4.22Å; M820-V861 HydrophobicContact CE-CB 3.69Å; M820-V861 HydrophobicContact CE-CG1 3.6Å; M820-V861 HydrophobicContact CE-CG2 3.28Å; I823-V861 HydrophobicContact CD1-CG1 3.77Å; L857-V861 HydrophobicContact CD1-CG2 4.39Å; L857-V861 VanDerWaalsContact O-CG2 3.29Å; L857-V861 WeakPolarHBondContact O-CG2 3.48Å; L857-V861 PolarHBondContact O-N 3.33Å; I858-V861 PolarHBondContact O-N 3.32Å; V861-K863 VanDerWaalsContact C-N 3.27Å; V861-K863 PolarHBondContact O-N 2.84Å; V861-D864 PolarHBondContact O-N 2.87Å; V861-S865 VanDerWaalsContact O-CB 3.29Å; V861-S865 WeakPolarHBondContact O-CB 3.43Å; V861-S865 PolarHBondContact O-N 2.9Å; V861-S865 PolarHBondContact O-OG 3.1Å
862A83.9Confident84.2Confident0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-61.1-39.1176.500000111.7I858 G866 F869 I903I858-A862 WeakPolarHBondContact O-CB 3.21Å; I858-A862 PolarHBondContact O-N 3.27Å; A862-G866 PolarHBondContact O-N 3Å; A862-F869 HydrophobicContact CB-CB 4.04Å; A862-F869 HydrophobicContact CB-CD2 3.39Å; A862-F869 HydrophobicContact CB-CE2 4Å; A862-F869 HydrophobicContact CB-CG 3.83Å; A862-I903 HydrophobicContact CB-CD1 4.01Å
863K81.7Confident84.3Confident83 Ų8334.8 Ų34.836%0.36120%0.198SC..Hα-helixtrans-64.7-50.8176.4-171.7-179.3175.5-164.40112.7P801 G803 R859 A860 V861 S865 G866P801-K863 HydrophobicContact CB-CB 3.92Å; P801-K863 HydrophobicContact CB-CG 4.44Å; P801-K863 VanDerWaalsContact CG-CA 3.46Å; P801-K863 HydrophobicContact CG-CB 3.78Å; P801-K863 HydrophobicContact CG-CG 4.16Å; G803-K863 WeakPolarHBondContact O-CD 3.39Å; G803-K863 VanDerWaalsContact O-CE 3.25Å; G803-K863 WeakPolarHBondContact O-CE 3.47Å; G803-K863 PolarHBondContact O-NZ 3.42Å; R859-K863 PolarHBondContact O-N 3.43Å; A860-K863 WeakPolarHBondContact O-CB 3.41Å; A860-K863 PolarHBondContact O-N 2.88Å; V861-K863 VanDerWaalsContact C-N 3.27Å; V861-K863 PolarHBondContact O-N 2.84Å; K863-S865 PolarHBondContact O-N 2.91Å; K863-G866 PolarHBondContact O-N 3.48Å; K863-G866 VanDerWaalsContact O-N 3.13Å
864D82.6Confident84.2Confident80 Ų8033.4 Ų33.443%0.42818%0.183SC..Hα-helixtrans-65-31.8-179.1-81.228.9000112L806 M820 A860 V861 G866L806-D864 WeakPolarHBondContact CB-OD2 3.36Å; L806-D864 WeakPolarHBondContact CD2-OD2 3.11Å; L806-D864 PolarHBondContact N-OD1 3.16Å; M820-D864 HydrophobicContact CE-CB 4.45Å; A860-D864 PolarHBondContact O-N 3.5Å; V861-D864 PolarHBondContact O-N 2.87Å; D864-G866 VanDerWaalsContact C-N 3.29Å; D864-G866 PolarHBondContact O-N 2.8Å
865S77.9Confident83.9Confident30 Ų3035.9 Ų35.921%0.2120%0.201CC..Hα-helixtrans-75.4-17.3176.9-52.70000113V861 K863 M867V861-S865 VanDerWaalsContact O-CB 3.29Å; V861-S865 WeakPolarHBondContact O-CB 3.43Å; V861-S865 PolarHBondContact O-N 2.9Å; V861-S865 PolarHBondContact O-OG 3.1Å; K863-S865 PolarHBondContact O-N 2.91Å; S865-M867 PolarHBondContact O-N 3.07Å
866G74.9Confident83.5Confident70 Ų7039.7 Ų39.772%0.72222%0.216SC*.THydrogen-bonded Turntrans62.219.5-177.600000114.4A862 K863 D864A862-G866 PolarHBondContact O-N 3Å; K863-G866 PolarHBondContact O-N 3.48Å; K863-G866 VanDerWaalsContact O-N 3.13Å; D864-G866 VanDerWaalsContact C-N 3.29Å; D864-G866 PolarHBondContact O-N 2.8Å
867M77.6Confident83.3Confident16 Ų1636.9 Ų36.98%0.07920%0.202CC..  trans-89.7155.5-178.4-67.4-17763.500111.3I823 S865 F869 P901 I903 Y945I823-M867 HydrophobicContact CG2-SD 3.87Å; S865-M867 PolarHBondContact O-N 3.07Å; M867-F869 PolarHBondContact O-N 3.07Å; M867-P901 HydrophobicContact CE-CB 3.71Å; M867-I903 HydrophobicContact CB-CD1 4.12Å; M867-I903 HydrophobicContact CB-CG1 4.18Å; M867-I903 HydrophobicContact CE-CG1 4.07Å; M867-I903 HydrophobicContact SD-CD1 4.19Å; M867-I903 HydrophobicContact SD-CG1 4.11Å; M867-Y945 HydrophobicContact CE-CD2 3.51Å; M867-Y945 HydrophobicContact CE-CE2 3.65Å; M867-Y945 HydrophobicContact SD-CD2 4.27Å; M867-Y945 HydrophobicContact SD-CE2 4.21Å
868N78.8Confident82.9Confident50 Ų5039.7 Ų39.727%0.26722%0.216SC..EExtended strand (participates in β ladder)trans-60.4130172.8-70.8-34.2000109.9L798 A899 P901 C902 I903L798-N868 HydrophobicContact CD2-CB 4.18Å; N868-A899 HydrophobicContact CB-CB 4.35Å; N868-A899 PolarHBondContact ND2-O 3.41Å; N868-P901 PolarHBondContact N-O 2.82Å; N868-C902 HydrophobicContact CB-CB 3.81Å; N868-C902 CarbonylContact O-C 3.52Å; N868-C902 VanDerWaalsContact O-CA 3.23Å; N868-C902 WeakPolarHBondContact O-CA 3.43Å; N868-C902 WeakPolarHBondContact O-CB 3.42Å; N868-I903 PolarHBondContact O-N 2.92Å
869F84.9Confident82.4Confident6 Ų641.6 Ų41.63%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-116.8122.1-175.8-178.9-107.4000110.9H799 I858 R859 A862 M867 I903 F905H799-F869 HydrophobicContact CB-CD1 4.38Å; H799-F869 PolarHBondContact N-O 2.95Å; I858-F869 HydrophobicContact CG2-CE2 3.88Å; I858-F869 HydrophobicContact CG2-CZ 4.38Å; R859-F869 HydrophobicContact CG-CE1 4.09Å; R859-F869 HydrophobicContact CG-CZ 3.98Å; A862-F869 HydrophobicContact CB-CB 4.04Å; A862-F869 HydrophobicContact CB-CD2 3.39Å; A862-F869 HydrophobicContact CB-CE2 4Å; A862-F869 HydrophobicContact CB-CG 3.83Å; M867-F869 PolarHBondContact O-N 3.07Å; F869-I903 HydrophobicContact CD2-CB 4.24Å; F869-I903 HydrophobicContact CD2-CG2 4.06Å; F869-I903 HydrophobicContact CE2-CG2 4.31Å; F869-F905 HydrophobicContact CE2-CB 3.57Å; F869-F905 HydrophobicContact CE2-CD1 4.39Å; F869-F905 HydrophobicContact CE2-CG 4.2Å; F869-F905 HydrophobicContact CZ-CB 3.82Å; F869-F905 AromaticContact CZ-CD1 3.84Å; F869-F905 HydrophobicContact CZ-CD1 3.84Å; F869-F905 HydrophobicContact CZ-CG 4.11Å
870I86.5Confident81.7Confident7 Ų745.7 Ų45.74%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-117.3110.9176-60.3172.2000107V796 L798 I872 A896 A899 I903 L904 F905V796-I870 HydrophobicContact CG1-CD1 4.07Å; V796-I870 HydrophobicContact CG1-CG1 4.41Å; L798-I870 HydrophobicContact CD2-CD1 4.26Å; L798-I870 HydrophobicContact CD2-CG1 3.95Å; I870-I872 HydrophobicContact CG2-CD1 4.02Å; I870-I872 HydrophobicContact CG2-CG1 4.2Å; I870-A896 HydrophobicContact CD1-CB 4.16Å; I870-A899 HydrophobicContact CD1-CB 4.48Å; I870-I903 PolarHBondContact N-O 3.19Å; I870-L904 HydrophobicContact CB-CD1 4.11Å; I870-L904 HydrophobicContact CG2-CD1 3.87Å; I870-F905 PolarHBondContact O-N 3.35Å
871S86.6Confident81Confident29 Ų2954.6 Ų54.620%0.20329%0.285CS..EExtended strand (participates in β ladder)trans-104.5130.1174.459.20000111F905S871-F905 WeakPolarHBondContact CA-O 3.18Å
872I87.5Confident80.3Confident9 Ų960.3 Ų60.35%0.04632%0.315CS..EExtended strand (participates in β ladder)trans-130.2133.2176.7-61.9152.3000108.4I870 L877 V892 L904 F905 F906 D907I870-I872 HydrophobicContact CG2-CD1 4.02Å; I870-I872 HydrophobicContact CG2-CG1 4.2Å; I872-L877 HydrophobicContact CG2-CD1 3.61Å; I872-L877 HydrophobicContact CG2-CD2 4.02Å; I872-L877 HydrophobicContact CG2-CG 3.53Å; I872-V892 HydrophobicContact CD1-CB 3.91Å; I872-V892 HydrophobicContact CD1-CG1 3.18Å; I872-V892 HydrophobicContact CD1-CG2 3.38Å; I872-V892 HydrophobicContact CG1-CG2 4.43Å; I872-L904 HydrophobicContact CD1-CD1 3.8Å; I872-F905 PolarHBondContact N-O 2.85Å; I872-F906 HydrophobicContact CB-CD1 4.39Å; I872-F906 HydrophobicContact CD1-CE1 4.2Å; I872-F906 WeakPolarHBondContact O-CA 3.38Å; I872-D907 PolarHBondContact O-N 2.96Å
873K86.6Confident80Confident66 Ų6662 Ų6229%0.28733%0.332SS..EExtended strand (participates in β ladder)trans-87.5140.4172.2-54.1-179.7-168.5154.90109.5P875 E876 S1057K873-P875 VanDerWaalsContact C-CD 3.49Å; K873-P875 VanDerWaalsContact C-N 3.32Å; K873-E876 HydrophobicContact CB-CG 3.98Å; K873-E876 VanDerWaalsContact CD-OE1 3.31Å; K873-E876 WeakPolarHBondContact CD-OE1 3.5Å; K873-E876 WeakPolarHBondContact CG-OE1 3.42Å; K873-E876 PolarHBondContact N-OE2 3.36Å; K873-E876 IonicContact NZ-OE1 3Å; K873-E876 WeakPolarHBondContact O-CB 3.37Å; K873-E876 PolarHBondContact O-N 3.39Å; K873-S1057 PolarHBondContact NZ-O 3.2Å; K873-S1057 VanDerWaalsContact NZ-O 3.16Å
874G82.3Confident80Confident1 Ų160.2 Ų60.21%0.0133%0.333CS..G310 helixtrans-48.3-45179.600000114.6E876 L877 D907 S911G874-E876 VanDerWaalsContact C-N 3.29Å; G874-E876 PolarHBondContact O-N 2.86Å; G874-L877 PolarHBondContact O-N 3Å; G874-D907 PolarHBondContact N-O 3.44Å; G874-S911 WeakPolarHBondContact CA-OG 3.47Å
875P82.4Confident80.1Confident67 Ų6756.5 Ų56.544%0.43531%0.313SS..G310 helixtrans-66.6-22.3177.8-2435.4000115.3K873 L877 L878 S911K873-P875 VanDerWaalsContact C-CD 3.49Å; K873-P875 VanDerWaalsContact C-N 3.32Å; P875-L877 VanDerWaalsContact C-N 3.28Å; P875-L877 PolarHBondContact O-N 3.37Å; P875-L878 PolarHBondContact O-N 3.37Å; P875-S911 WeakPolarHBondContact CD-OG 3.46Å
876E81Confident80.4Confident116 Ų11657.4 Ų57.454%0.54231%0.314SS..G310 helixtrans-70.2-26.7-178-68.5167.3177.600112.1K873 G874K873-E876 HydrophobicContact CB-CG 3.98Å; K873-E876 VanDerWaalsContact CD-OE1 3.31Å; K873-E876 WeakPolarHBondContact CD-OE1 3.5Å; K873-E876 WeakPolarHBondContact CG-OE1 3.42Å; K873-E876 PolarHBondContact N-OE2 3.36Å; K873-E876 IonicContact NZ-OE1 3Å; K873-E876 WeakPolarHBondContact O-CB 3.37Å; K873-E876 PolarHBondContact O-N 3.39Å; G874-E876 VanDerWaalsContact C-N 3.29Å; G874-E876 PolarHBondContact O-N 2.86Å
877L82.2Confident80.8Confident21 Ų2158.1 Ų58.111%0.1130%0.299CS..G310 helixtrans-89.5-11.9178-64.2177000113.5I872 G874 P875 S879 S885 V889 V892 F906 L912I872-L877 HydrophobicContact CG2-CD1 3.61Å; I872-L877 HydrophobicContact CG2-CD2 4.02Å; I872-L877 HydrophobicContact CG2-CG 3.53Å; G874-L877 PolarHBondContact O-N 3Å; P875-L877 VanDerWaalsContact C-N 3.28Å; P875-L877 PolarHBondContact O-N 3.37Å; L877-S879 PolarHBondContact O-N 2.86Å; L877-S885 WeakPolarHBondContact O-CA 3.26Å; L877-S885 WeakPolarHBondContact O-CB 3.46Å; L877-S885 PolarHBondContact O-OG 3.01Å; L877-V889 HydrophobicContact CD1-CG2 4.22Å; L877-V892 HydrophobicContact CD1-CG2 4.46Å; L877-V892 HydrophobicContact CD2-CG2 3.82Å; L877-F906 HydrophobicContact CD1-CE1 4.02Å; L877-L912 HydrophobicContact CB-CD1 3.99Å; L877-L912 HydrophobicContact CD1-CD1 4.29Å; L877-L912 HydrophobicContact CD1-CD2 4.11Å
878L80.2Confident81.1Confident59 Ų5958.2 Ų58.231%0.30930%0.304SS..  trans-92.195.1-177.6-67.3172.6000110.2P875 S911 L912 T924P875-L878 PolarHBondContact O-N 3.37Å; L878-S911 WeakPolarHBondContact CD1-O 3.3Å; L878-L912 HydrophobicContact CD2-CD1 4.17Å; L878-L912 HydrophobicContact CG-CD1 4.3Å; L878-T924 HydrophobicContact CD2-CG2 4.13Å
879S76.3Confident81.6Confident41 Ų4155.9 Ų55.929%0.28729%0.292SS..  trans-92.4151.3169.174.10000111.4L877 Y881 A884 S885L877-S879 PolarHBondContact O-N 2.86Å; S879-Y881 PolarHBondContact O-N 2.82Å; S879-Y881 PolarHBondContact OG-O 2.99Å; S879-A884 WeakPolarHBondContact OG-CB 3.44Å; S879-S885 PolarHBondContact N-OG 2.8Å; S879-S885 PolarHBondContact O-OG 3.05Å; S879-S885 PolarHBondContact OG-N 3.43Å; S879-S885 PolarHBondContact OG-OG 2.84Å
880K70.8Confident81.6Confident208 Ų20860.5 Ų60.590%0.90431%0.309SS*.SBendtrans-71.4-16.5173.3-68.3-177.81801780112.9
881Y71.6Confident81.4Confident187 Ų18763.4 Ų63.473%0.73333%0.325SS*.SBendtrans-79.1127.8-178.9-66.7-82.2000109.5S879 G883 A884S879-Y881 PolarHBondContact O-N 2.82Å; S879-Y881 PolarHBondContact OG-O 2.99Å; Y881-G883 PolarHBondContact O-N 3.44Å; Y881-A884 PolarHBondContact O-N 2.91Å
882I71Confident81.3Confident120 Ų12062.1 Ų62.162%0.61532%0.315SS*.THydrogen-bonded Turntrans-63132.9-179.3-58.1170.2000108.3A884I882-A884 VanDerWaalsContact C-N 3.26Å; I882-A884 PolarHBondContact O-N 3.5Å
883G77.3Confident81.2Confident36 Ų3661.7 Ų61.737%0.37131%0.313SS..THydrogen-bonded Turntrans83.8-29178.400000115.7Y881 S885 E886 Q887Y881-G883 PolarHBondContact O-N 3.44Å; G883-S885 VanDerWaalsContact C-N 3.34Å; G883-S885 PolarHBondContact O-N 3.02Å; G883-E886 PolarHBondContact O-N 2.83Å; G883-Q887 PolarHBondContact O-N 2.81Å; G883-Q887 VanDerWaalsContact O-N 3.1Å
884A80.5Confident80.9Confident45 Ų4563.3 Ų63.337%0.37232%0.324SS..Hα-helixtrans-64.2-36.5-17900000113S879 Y881 I882 G888S879-A884 WeakPolarHBondContact OG-CB 3.44Å; Y881-A884 PolarHBondContact O-N 2.91Å; I882-A884 VanDerWaalsContact C-N 3.26Å; I882-A884 PolarHBondContact O-N 3.5Å; A884-G888 PolarHBondContact O-N 2.95Å
885S85.2Confident80.6Confident2 Ų267 Ų671%0.01434%0.338CS..Hα-helixtrans-68.1-34.5177.3-49.80000112.8L877 S879 G883 G888 V889L877-S885 WeakPolarHBondContact O-CA 3.26Å; L877-S885 WeakPolarHBondContact O-CB 3.46Å; L877-S885 PolarHBondContact O-OG 3.01Å; S879-S885 PolarHBondContact N-OG 2.8Å; S879-S885 PolarHBondContact O-OG 3.05Å; S879-S885 PolarHBondContact OG-N 3.43Å; S879-S885 PolarHBondContact OG-OG 2.84Å; G883-S885 VanDerWaalsContact C-N 3.34Å; G883-S885 PolarHBondContact O-N 3.02Å; S885-G888 PolarHBondContact O-N 3.24Å; S885-V889 PolarHBondContact O-N 3.35Å; S885-V889 VanDerWaalsContact O-N 3.17Å
886E84.9Confident80.5Confident50 Ų5063.8 Ų63.823%0.23432%0.317CS..Hα-helixtrans-69.1-46.1176.6179.5-177.615800111G883 G888 V889 R890 Q930G883-E886 PolarHBondContact O-N 2.83Å; E886-G888 VanDerWaalsContact C-N 3.29Å; E886-G888 PolarHBondContact O-N 2.85Å; E886-V889 PolarHBondContact O-N 3.15Å; E886-R890 PolarHBondContact O-N 3.47Å; E886-R890 VanDerWaalsContact O-N 3.11Å; E886-R890 IonicContact OE1-CZ 3.29Å; E886-R890 VanDerWaalsContact OE1-CZ 3.32Å; E886-R890 IonicContact OE1-NH1 2.71Å; E886-R890 IonicContact OE1-NH2 2.79Å; E886-R890 PolarHBondContact OE1-NH2 2.97Å; E886-Q930 HydrophobicContact CG-CB 3.78Å; E886-Q930 HydrophobicContact CG-CG 3.72Å; E886-Q930 PolarHBondContact OE1-OE1 3.1Å
887Q83.1Confident80.4Confident85 Ų8560.8 Ų60.840%0.39730%0.303SS..Hα-helixtrans-60.8-40.7173.4-173.9175.4-1.200111.1G883 V889 R890 D891G883-Q887 PolarHBondContact O-N 2.81Å; G883-Q887 VanDerWaalsContact O-N 3.1Å; Q887-V889 VanDerWaalsContact C-N 3.3Å; Q887-V889 PolarHBondContact O-N 3.1Å; Q887-R890 WeakPolarHBondContact O-CB 3.43Å; Q887-R890 PolarHBondContact O-N 3.45Å; Q887-R890 VanDerWaalsContact O-N 3.11Å; Q887-D891 WeakPolarHBondContact O-CB 3.35Å; Q887-D891 VanDerWaalsContact O-CG 3.22Å; Q887-D891 PolarHBondContact O-N 3.09Å
888G84.4Confident79.9Confident18 Ų1862.3 Ų62.319%0.18632%0.318CS..Hα-helixtrans-56.8-41174.900000113.1A884 S885 E886 V892A884-G888 PolarHBondContact O-N 2.95Å; S885-G888 PolarHBondContact O-N 3.24Å; E886-G888 VanDerWaalsContact C-N 3.29Å; E886-G888 PolarHBondContact O-N 2.85Å; G888-V892 WeakPolarHBondContact O-CG2 3.27Å; G888-V892 PolarHBondContact O-N 3.45Å
889V87.6Confident79.5Confident1 Ų159.5 Ų59.51%0.00630%0.304CS..Hα-helixtrans-64.8-46.6173.7173.90000111.2L877 S885 E886 Q887 D891 V892 F893 V927 Q930 L931 E934L877-V889 HydrophobicContact CD1-CG2 4.22Å; S885-V889 PolarHBondContact O-N 3.35Å; S885-V889 VanDerWaalsContact O-N 3.17Å; E886-V889 PolarHBondContact O-N 3.15Å; Q887-V889 VanDerWaalsContact C-N 3.3Å; Q887-V889 PolarHBondContact O-N 3.1Å; V889-D891 VanDerWaalsContact C-N 3.32Å; V889-D891 PolarHBondContact O-N 3.36Å; V889-V892 WeakPolarHBondContact O-CB 3.05Å; V889-V892 PolarHBondContact O-N 3.29Å; V889-F893 HydrophobicContact CG1-CD2 3.95Å; V889-F893 HydrophobicContact CG1-CE2 3.96Å; V889-F893 WeakPolarHBondContact O-CD2 3.34Å; V889-F893 PolarHBondContact O-N 3.48Å; V889-F893 VanDerWaalsContact O-N 3.12Å; V889-V927 HydrophobicContact CG2-CG1 3.89Å; V889-Q930 HydrophobicContact CB-CG 4.44Å; V889-Q930 HydrophobicContact CG1-CG 4.29Å; V889-L931 HydrophobicContact CG1-CD1 4.21Å; V889-E934 HydrophobicContact CG1-CG 4.42Å
890R85.1Confident79.4Confident102 Ų10260.8 Ų60.839%0.38530%0.304SS..Hα-helixtrans-56.4-47.8176.2-69.7-178.5179.1156.69.8111.7E886 Q887 V892 F893 L894 Q930E886-R890 PolarHBondContact O-N 3.47Å; E886-R890 VanDerWaalsContact O-N 3.11Å; E886-R890 IonicContact OE1-CZ 3.29Å; E886-R890 VanDerWaalsContact OE1-CZ 3.32Å; E886-R890 IonicContact OE1-NH1 2.71Å; E886-R890 IonicContact OE1-NH2 2.79Å; E886-R890 PolarHBondContact OE1-NH2 2.97Å; Q887-R890 WeakPolarHBondContact O-CB 3.43Å; Q887-R890 PolarHBondContact O-N 3.45Å; Q887-R890 VanDerWaalsContact O-N 3.11Å; R890-V892 VanDerWaalsContact C-N 3.29Å; R890-V892 PolarHBondContact O-N 2.82Å; R890-F893 PolarHBondContact O-N 3.37Å; R890-F893 VanDerWaalsContact O-N 3.16Å; R890-L894 WeakPolarHBondContact O-CB 3.48Å; R890-L894 VanDerWaalsContact O-CG 3.31Å; R890-L894 WeakPolarHBondContact O-CG 3.47Å; R890-L894 PolarHBondContact O-N 2.93Å; R890-Q930 HydrophobicContact CG-CG 3.99Å; R890-Q930 VanDerWaalsContact CG-NE2 3.25Å
891D82.5Confident79.8Confident69 Ų6953 Ų5337%0.36928%0.275SS..Hα-helixtrans-63.2-37.4-178.6-69.2-11.3000111.3Q887 V889 R895Q887-D891 WeakPolarHBondContact O-CB 3.35Å; Q887-D891 VanDerWaalsContact O-CG 3.22Å; Q887-D891 PolarHBondContact O-N 3.09Å; V889-D891 VanDerWaalsContact C-N 3.32Å; V889-D891 PolarHBondContact O-N 3.36Å; D891-R895 VanDerWaalsContact O-CB 3.28Å; D891-R895 WeakPolarHBondContact O-CB 3.38Å; D891-R895 WeakPolarHBondContact O-CG 3.41Å; D891-R895 PolarHBondContact O-N 3.24Å; D891-R895 PolarHBondContact O-NE 3.46Å
892V84.7Confident80.3Confident1 Ų144.1 Ų44.11%0.00624%0.24CC..Hα-helixtrans-60.1-48.9173163.40000111.9I872 L877 G888 V889 R890 R895 A896 L904 F906I872-V892 HydrophobicContact CD1-CB 3.91Å; I872-V892 HydrophobicContact CD1-CG1 3.18Å; I872-V892 HydrophobicContact CD1-CG2 3.38Å; I872-V892 HydrophobicContact CG1-CG2 4.43Å; L877-V892 HydrophobicContact CD1-CG2 4.46Å; L877-V892 HydrophobicContact CD2-CG2 3.82Å; G888-V892 WeakPolarHBondContact O-CG2 3.27Å; G888-V892 PolarHBondContact O-N 3.45Å; V889-V892 WeakPolarHBondContact O-CB 3.05Å; V889-V892 PolarHBondContact O-N 3.29Å; R890-V892 VanDerWaalsContact C-N 3.29Å; R890-V892 PolarHBondContact O-N 2.82Å; V892-R895 PolarHBondContact O-N 2.86Å; V892-A896 WeakPolarHBondContact O-CB 3.34Å; V892-A896 PolarHBondContact O-N 2.64Å; V892-L904 HydrophobicContact CG1-CD1 3.56Å; V892-L904 HydrophobicContact CG1-CD2 3.96Å; V892-L904 HydrophobicContact CG1-CG 4.38Å; V892-F906 HydrophobicContact CG1-CE1 4.35Å; V892-F906 HydrophobicContact CG1-CZ 4.16Å
893F85.8Confident81.1Confident0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-68.3-39.5-179.6-83.7-87.4000111.7V889 R890 R895 A896 Q897 L904 F906 L931 E934 L935 L941 V946V889-F893 HydrophobicContact CG1-CD2 3.95Å; V889-F893 HydrophobicContact CG1-CE2 3.96Å; V889-F893 WeakPolarHBondContact O-CD2 3.34Å; V889-F893 PolarHBondContact O-N 3.48Å; V889-F893 VanDerWaalsContact O-N 3.12Å; R890-F893 PolarHBondContact O-N 3.37Å; R890-F893 VanDerWaalsContact O-N 3.16Å; F893-R895 VanDerWaalsContact C-N 3.34Å; F893-R895 PolarHBondContact O-N 2.86Å; F893-A896 PolarHBondContact O-N 2.78Å; F893-Q897 WeakPolarHBondContact O-CB 3.07Å; F893-Q897 VanDerWaalsContact O-CG 3.3Å; F893-Q897 WeakPolarHBondContact O-CG 3.37Å; F893-Q897 PolarHBondContact O-N 2.93Å; F893-L904 HydrophobicContact CD1-CD2 4.08Å; F893-L904 HydrophobicContact CE1-CD2 3.81Å; F893-L904 HydrophobicContact CE2-CD2 4.27Å; F893-L904 HydrophobicContact CG-CD2 4.44Å; F893-L904 HydrophobicContact CZ-CD2 3.92Å; F893-F906 HydrophobicContact CE2-CE2 4.36Å; F893-F906 AromaticContact CE2-CZ 3.93Å; F893-F906 HydrophobicContact CE2-CZ 3.93Å; F893-F906 HydrophobicContact CZ-CE2 4.13Å; F893-F906 HydrophobicContact CZ-CZ 4.16Å; F893-L931 HydrophobicContact CE2-CD1 3.51Å; F893-L931 HydrophobicContact CZ-CD1 3.74Å; F893-E934 HydrophobicContact CB-CB 4.44Å; F893-E934 HydrophobicContact CB-CG 4.28Å; F893-E934 HydrophobicContact CD1-CB 4.07Å; F893-E934 HydrophobicContact CD2-CB 3.76Å; F893-E934 HydrophobicContact CD2-CG 3.82Å; F893-E934 HydrophobicContact CE1-CB 4.24Å; F893-E934 HydrophobicContact CE2-CB 3.96Å; F893-E934 HydrophobicContact CE2-CG 4.37Å; F893-E934 HydrophobicContact CG-CB 3.82Å; F893-E934 HydrophobicContact CG-CG 4.04Å; F893-E934 HydrophobicContact CZ-CB 4.19Å; F893-L935 HydrophobicContact CE1-CD2 4.06Å; F893-L935 HydrophobicContact CZ-CD2 3.98Å; F893-L935 HydrophobicContact CZ-CG 4.41Å; F893-L941 HydrophobicContact CD1-CD2 4.02Å; F893-L941 HydrophobicContact CE1-CD1 4.28Å; F893-L941 HydrophobicContact CE1-CD2 4.32Å; F893-V946 HydrophobicContact CE1-CG2 4.07Å
894L79.4Confident81.8Confident100 Ų10036.7 Ų36.752%0.52419%0.193SC..Hα-helixtrans-60.7-42.9172.8-70.9172.1000111.7R890 Q897 A898R890-L894 WeakPolarHBondContact O-CB 3.48Å; R890-L894 VanDerWaalsContact O-CG 3.31Å; R890-L894 WeakPolarHBondContact O-CG 3.47Å; R890-L894 PolarHBondContact O-N 2.93Å; L894-Q897 PolarHBondContact O-N 3.48Å; L894-A898 PolarHBondContact O-N 3.03Å
895R76.8Confident82.3Confident79 Ų7934.6 Ų34.630%0.29818%0.176SC..Hα-helixtrans-62.4-43.8174.4-75.8-174.6-60.6163.11.6111.9V796 D891 V892 F893 A898 A899V796-R895 HydrophobicContact CG1-CB 4.3Å; V796-R895 HydrophobicContact CG2-CB 4.1Å; V796-R895 HydrophobicContact CG2-CG 3.84Å; D891-R895 VanDerWaalsContact O-CB 3.28Å; D891-R895 WeakPolarHBondContact O-CB 3.38Å; D891-R895 WeakPolarHBondContact O-CG 3.41Å; D891-R895 PolarHBondContact O-N 3.24Å; D891-R895 PolarHBondContact O-NE 3.46Å; V892-R895 PolarHBondContact O-N 2.86Å; F893-R895 VanDerWaalsContact C-N 3.34Å; F893-R895 PolarHBondContact O-N 2.86Å; R895-A898 PolarHBondContact O-N 3.09Å; R895-A899 PolarHBondContact O-N 2.95Å
896A80.9Confident82.6Confident0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-63-43.5176.300000111.5I870 V892 F893 A898 A899 C902 L904 V944I870-A896 HydrophobicContact CD1-CB 4.16Å; V892-A896 WeakPolarHBondContact O-CB 3.34Å; V892-A896 PolarHBondContact O-N 2.64Å; F893-A896 PolarHBondContact O-N 2.78Å; A896-A898 VanDerWaalsContact C-N 3.28Å; A896-A898 PolarHBondContact O-N 3.43Å; A896-A899 PolarHBondContact O-N 3.01Å; A896-C902 PolarHBondContact O-SG 2.93Å; A896-L904 HydrophobicContact CB-CB 4.48Å; A896-L904 HydrophobicContact CB-CD2 4.3Å; A896-V944 HydrophobicContact CB-CG1 4.01Å
897Q78.1Confident82.8Confident53 Ų5333.7 Ų33.725%0.24817%0.172CC..Hα-helixtrans-63.9-32.6177.3-72.5-177.230.800113.2F893 L894 A899 K900 V944F893-Q897 WeakPolarHBondContact O-CB 3.07Å; F893-Q897 VanDerWaalsContact O-CG 3.3Å; F893-Q897 WeakPolarHBondContact O-CG 3.37Å; F893-Q897 PolarHBondContact O-N 2.93Å; L894-Q897 PolarHBondContact O-N 3.48Å; Q897-A899 VanDerWaalsContact C-N 3.3Å; Q897-K900 VanDerWaalsContact O-CD 3.3Å; Q897-K900 WeakPolarHBondContact O-CD 3.36Å; Q897-K900 WeakPolarHBondContact O-CE 3.44Å; Q897-K900 VanDerWaalsContact O-CG 3.26Å; Q897-K900 WeakPolarHBondContact O-CG 3.34Å; Q897-V944 HydrophobicContact CG-CG2 4.4Å
898A71.1Confident83.1Confident52 Ų5234.5 Ų34.543%0.4318%0.176SC..Hα-helixtrans-69.4-28.4173.200000112.6L894 R895 A896L894-A898 PolarHBondContact O-N 3.03Å; R895-A898 PolarHBondContact O-N 3.09Å; A896-A898 VanDerWaalsContact C-N 3.28Å; A896-A898 PolarHBondContact O-N 3.43Å
899A71.5Confident83.4Confident0 Ų033.8 Ų33.80%017%0.168CC..THydrogen-bonded Turntrans-94.819-175.600000114.5L793 L798 N868 I870 R895 A896 Q897 P901 C902L793-A899 HydrophobicContact CD2-CB 4.17Å; L798-A899 HydrophobicContact CD2-CB 4.02Å; N868-A899 HydrophobicContact CB-CB 4.35Å; N868-A899 PolarHBondContact ND2-O 3.41Å; I870-A899 HydrophobicContact CD1-CB 4.48Å; R895-A899 PolarHBondContact O-N 2.95Å; A896-A899 PolarHBondContact O-N 3.01Å; Q897-A899 VanDerWaalsContact C-N 3.3Å; A899-P901 CarbonylContact O-C 3.54Å; A899-C902 HydrophobicContact CB-CB 4.16Å; A899-C902 WeakPolarHBondContact O-CB 3.44Å
900K75.3Confident83.5Confident69 Ų6934.8 Ų34.830%0.317%0.173SC..  trans-59.6134.9-178.9-70.3169-173.7-163.40111.9Q897 Q942 V944Q897-K900 VanDerWaalsContact O-CD 3.3Å; Q897-K900 WeakPolarHBondContact O-CD 3.36Å; Q897-K900 WeakPolarHBondContact O-CE 3.44Å; Q897-K900 VanDerWaalsContact O-CG 3.26Å; Q897-K900 WeakPolarHBondContact O-CG 3.34Å; K900-Q942 WeakPolarHBondContact CD-O 3.25Å; K900-Q942 WeakPolarHBondContact CE-O 3.32Å; K900-Q942 PolarHBondContact NZ-O 3.12Å; K900-V944 HydrophobicContact CD-CG2 4.43Å; K900-V944 HydrophobicContact CG-CG2 3.81Å
901P78.6Confident83.6Confident45 Ų4531.8 Ų31.829%0.29217%0.168SC..SBendcis-79.8127.8-2.533.4-35.2000112.3M867 N868 A899 G943M867-P901 HydrophobicContact CE-CB 3.71Å; N868-P901 PolarHBondContact N-O 2.82Å; A899-P901 CarbonylContact O-C 3.54Å; P901-G943 WeakPolarHBondContact CA-O 3.48Å
902C82.9Confident83.8Confident0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-134.8155.6-178.574.10000114.7N868 A896 A899 G943 Y945N868-C902 HydrophobicContact CB-CB 3.81Å; N868-C902 CarbonylContact O-C 3.52Å; N868-C902 VanDerWaalsContact O-CA 3.23Å; N868-C902 WeakPolarHBondContact O-CA 3.43Å; N868-C902 WeakPolarHBondContact O-CB 3.42Å; A896-C902 PolarHBondContact O-SG 2.93Å; A899-C902 HydrophobicContact CB-CB 4.16Å; A899-C902 WeakPolarHBondContact O-CB 3.44Å; C902-G943 PolarHBondContact N-O 3.47Å; C902-G943 VanDerWaalsContact N-O 3.08Å; C902-Y945 PolarHBondContact O-N 3.4Å
903I88.1Confident83.9Confident0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-107117170.1-62.3172000107.9A862 M867 N868 F869 I870 Y945 L947A862-I903 HydrophobicContact CB-CD1 4.01Å; M867-I903 HydrophobicContact CB-CD1 4.12Å; M867-I903 HydrophobicContact CB-CG1 4.18Å; M867-I903 HydrophobicContact CE-CG1 4.07Å; M867-I903 HydrophobicContact SD-CD1 4.19Å; M867-I903 HydrophobicContact SD-CG1 4.11Å; N868-I903 PolarHBondContact O-N 2.92Å; F869-I903 HydrophobicContact CD2-CB 4.24Å; F869-I903 HydrophobicContact CD2-CG2 4.06Å; F869-I903 HydrophobicContact CE2-CG2 4.31Å; I870-I903 PolarHBondContact N-O 3.19Å; I903-Y945 CarbonylContact C-O 3.43Å; I903-Y945 WeakPolarHBondContact CA-O 3.4Å; I903-L947 HydrophobicContact CG2-CD1 3.43Å; I903-L947 VanDerWaalsContact CG2-CD1 3.43Å; I903-L947 HydrophobicContact CG2-CG 3.91Å
904L90.4Very high84Confident0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-96.7110.8173.7179.860.8000109I870 I872 V892 F893 A896 F906 V944 Y945 V946 L947I870-L904 HydrophobicContact CB-CD1 4.11Å; I870-L904 HydrophobicContact CG2-CD1 3.87Å; I872-L904 HydrophobicContact CD1-CD1 3.8Å; V892-L904 HydrophobicContact CG1-CD1 3.56Å; V892-L904 HydrophobicContact CG1-CD2 3.96Å; V892-L904 HydrophobicContact CG1-CG 4.38Å; F893-L904 HydrophobicContact CD1-CD2 4.08Å; F893-L904 HydrophobicContact CE1-CD2 3.81Å; F893-L904 HydrophobicContact CE2-CD2 4.27Å; F893-L904 HydrophobicContact CG-CD2 4.44Å; F893-L904 HydrophobicContact CZ-CD2 3.92Å; A896-L904 HydrophobicContact CB-CB 4.48Å; A896-L904 HydrophobicContact CB-CD2 4.3Å; L904-F906 HydrophobicContact CD1-CZ 4.32Å; L904-F906 HydrophobicContact CD2-CE2 3.6Å; L904-F906 HydrophobicContact CD2-CZ 3.68Å; L904-F906 HydrophobicContact CG-CD2 4.4Å; L904-F906 HydrophobicContact CG-CE2 3.74Å; L904-F906 HydrophobicContact CG-CZ 3.96Å; L904-V944 HydrophobicContact CB-CG1 4.36Å; L904-Y945 PolarHBondContact N-O 3.3Å; L904-V946 HydrophobicContact CD2-CG2 4.42Å; L904-V946 CarbonylContact O-C 3.57Å; L904-V946 WeakPolarHBondContact O-CA 3.5Å; L904-L947 PolarHBondContact O-N 3.42Å
905F91.4Very high84.3Confident1 Ų131 Ų310%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-107.8119.4-177.4174.4-119.9000112T855 I858 F869 I870 S871 I872 D907 L947 A949T855-F905 HydrophobicContact CG2-CE1 3.94Å; T855-F905 HydrophobicContact CG2-CZ 4.31Å; I858-F905 HydrophobicContact CB-CD2 4.39Å; I858-F905 HydrophobicContact CB-CE2 4.49Å; I858-F905 HydrophobicContact CD1-CD2 3.42Å; I858-F905 VanDerWaalsContact CD1-CD2 3.42Å; I858-F905 HydrophobicContact CD1-CE2 3.02Å; I858-F905 HydrophobicContact CD1-CG 4.42Å; I858-F905 HydrophobicContact CD1-CZ 3.72Å; I858-F905 HydrophobicContact CG1-CD2 4.43Å; I858-F905 HydrophobicContact CG1-CE2 4.32Å; I858-F905 HydrophobicContact CG2-CB 4.18Å; I858-F905 HydrophobicContact CG2-CD1 4.42Å; I858-F905 HydrophobicContact CG2-CD2 3.75Å; I858-F905 HydrophobicContact CG2-CE2 4.32Å; I858-F905 HydrophobicContact CG2-CG 3.82Å; F869-F905 HydrophobicContact CE2-CB 3.57Å; F869-F905 HydrophobicContact CE2-CD1 4.39Å; F869-F905 HydrophobicContact CE2-CG 4.2Å; F869-F905 HydrophobicContact CZ-CB 3.82Å; F869-F905 AromaticContact CZ-CD1 3.84Å; F869-F905 HydrophobicContact CZ-CD1 3.84Å; F869-F905 HydrophobicContact CZ-CG 4.11Å; I870-F905 PolarHBondContact O-N 3.35Å; S871-F905 WeakPolarHBondContact CA-O 3.18Å; I872-F905 PolarHBondContact N-O 2.85Å; F905-D907 HydrophobicContact CE1-CB 3.64Å; F905-D907 HydrophobicContact CZ-CB 3.67Å; F905-L947 CarbonylContact C-O 3.57Å; F905-L947 VanDerWaalsContact CA-O 3.3Å; F905-L947 WeakPolarHBondContact CA-O 3.42Å; F905-L947 HydrophobicContact CD2-CB 4.08Å; F905-L947 WeakPolarHBondContact CD2-O 3.46Å; F905-A949 HydrophobicContact CE2-CB 3.63Å; F905-A949 HydrophobicContact CZ-CB 3.83Å
906F91.4Very high84.6Confident1 Ų132.8 Ų32.80%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-100112.1170.6-64.9-75000110.3I872 L877 V892 F893 L904 F909 L912 V946 L947 A948 A949I872-F906 HydrophobicContact CB-CD1 4.39Å; I872-F906 HydrophobicContact CD1-CE1 4.2Å; I872-F906 WeakPolarHBondContact O-CA 3.38Å; L877-F906 HydrophobicContact CD1-CE1 4.02Å; V892-F906 HydrophobicContact CG1-CE1 4.35Å; V892-F906 HydrophobicContact CG1-CZ 4.16Å; F893-F906 HydrophobicContact CE2-CE2 4.36Å; F893-F906 AromaticContact CE2-CZ 3.93Å; F893-F906 HydrophobicContact CE2-CZ 3.93Å; F893-F906 HydrophobicContact CZ-CE2 4.13Å; F893-F906 HydrophobicContact CZ-CZ 4.16Å; L904-F906 HydrophobicContact CD1-CZ 4.32Å; L904-F906 HydrophobicContact CD2-CE2 3.6Å; L904-F906 HydrophobicContact CD2-CZ 3.68Å; L904-F906 HydrophobicContact CG-CD2 4.4Å; L904-F906 HydrophobicContact CG-CE2 3.74Å; L904-F906 HydrophobicContact CG-CZ 3.96Å; F906-F909 HydrophobicContact CB-CD2 3.8Å; F906-F909 HydrophobicContact CG-CD2 4.24Å; F906-L912 HydrophobicContact CD1-CD2 4.15Å; F906-L912 HydrophobicContact CE1-CD2 4.27Å; F906-V946 HydrophobicContact CD2-CG1 3.93Å; F906-V946 HydrophobicContact CE2-CG1 3.85Å; F906-L947 PolarHBondContact N-O 2.79Å; F906-A948 CarbonylContact O-C 3.53Å; F906-A948 WeakPolarHBondContact O-CA 3.46Å; F906-A949 PolarHBondContact O-N 2.85Å
907D90.2Very high84.3Confident31 Ų3135.8 Ų35.817%0.16619%0.191CC..EExtended strand (participates in β ladder)trans-89.1150.1169.9-148.7-12.6000110.5T855 I872 G874 F905 F909T855-D907 VanDerWaalsContact CG2-OD2 3.26Å; T855-D907 WeakPolarHBondContact CG2-OD2 3.19Å; T855-D907 PolarHBondContact OG1-OD1 3.48Å; T855-D907 PolarHBondContact OG1-OD2 3.43Å; I872-D907 PolarHBondContact O-N 2.96Å; G874-D907 PolarHBondContact N-O 3.44Å; F905-D907 HydrophobicContact CE1-CB 3.64Å; F905-D907 HydrophobicContact CZ-CB 3.67Å; D907-F909 VanDerWaalsContact C-N 3.3Å; D907-F909 PolarHBondContact O-N 3.35Å
908E89.6Confident84.2Confident103 Ų10339.4 Ų39.448%0.48121%0.208SC..SBendtrans51.847.6-176.9-59-176.9161.400112.8D910 S911 A949E908-D910 PolarHBondContact O-N 3.31Å; E908-S911 PolarHBondContact O-N 3.33Å; E908-S911 PolarHBondContact O-OG 2.95Å; E908-S911 VanDerWaalsContact O-OG 3.09Å; E908-A949 PolarHBondContact N-O 2.96Å
909F90.5Very high84.6Confident3 Ų339.7 Ų39.71%0.01320%0.202CC..Hα-helixtrans-59.7-22.9-174.2-170.9-110000113.8F906 D907 S911 L912 A913 L931 A948 A949 I956 L960 L966F906-F909 HydrophobicContact CB-CD2 3.8Å; F906-F909 HydrophobicContact CG-CD2 4.24Å; D907-F909 VanDerWaalsContact C-N 3.3Å; D907-F909 PolarHBondContact O-N 3.35Å; F909-S911 VanDerWaalsContact C-N 3.26Å; F909-S911 PolarHBondContact O-N 3.23Å; F909-L912 HydrophobicContact CE2-CD2 4.48Å; F909-L912 PolarHBondContact O-N 3.31Å; F909-A913 HydrophobicContact CE1-CB 4.14Å; F909-A913 HydrophobicContact CZ-CB 4.12Å; F909-A913 PolarHBondContact O-N 2.87Å; F909-A913 VanDerWaalsContact O-N 3.13Å; F909-L931 HydrophobicContact CE2-CD2 3.56Å; F909-L931 HydrophobicContact CZ-CD2 3.52Å; F909-A948 HydrophobicContact CB-CB 4.07Å; F909-A948 HydrophobicContact CD1-CB 4.14Å; F909-A948 HydrophobicContact CD2-CB 4.05Å; F909-A948 HydrophobicContact CE2-CB 4.5Å; F909-A948 HydrophobicContact CG-CB 3.83Å; F909-A949 WeakPolarHBondContact CB-O 3.46Å; F909-A949 PolarHBondContact N-O 2.81Å; F909-I956 HydrophobicContact CD1-CD1 3.92Å; F909-I956 HydrophobicContact CD1-CG1 4.31Å; F909-I956 HydrophobicContact CD1-CG2 4.38Å; F909-I956 HydrophobicContact CE1-CG2 4.1Å; F909-L960 HydrophobicContact CE1-CD1 3.85Å; F909-L960 HydrophobicContact CZ-CD1 3.84Å; F909-L960 HydrophobicContact CZ-CD2 4.42Å; F909-L966 HydrophobicContact CE1-CD1 3.81Å; F909-L966 HydrophobicContact CZ-CD1 4.16Å
910D89.3Confident84.6Confident21 Ų2145.9 Ų45.911%0.11225%0.246CC..Hα-helixtrans-66.4-22.7174.956.1-58.2000113.7E908 T950 R952 L955 I956E908-D910 PolarHBondContact O-N 3.31Å; D910-T950 PolarHBondContact OD1-OG1 3.4Å; D910-R952 IonicContact OD2-CZ 3.08Å; D910-R952 IonicContact OD2-NE 2.59Å; D910-R952 PolarHBondContact OD2-NE 3.07Å; D910-R952 IonicContact OD2-NH2 3.38Å; D910-R952 PolarHBondContact OD2-NH2 3.1Å; D910-R952 VanDerWaalsContact OD2-NH2 3.15Å; D910-L955 HydrophobicContact CB-CB 4.32Å; D910-I956 HydrophobicContact CB-CG1 4.4Å
911S86.9Confident84.6Confident39 Ų3947.4 Ų47.427%0.27326%0.261SS..Hα-helixtrans-77.3-34.2174.779.40000112.1G874 P875 L878 E908 F909G874-S911 WeakPolarHBondContact CA-OG 3.47Å; P875-S911 WeakPolarHBondContact CD-OG 3.46Å; L878-S911 WeakPolarHBondContact CD1-O 3.3Å; E908-S911 PolarHBondContact O-N 3.33Å; E908-S911 PolarHBondContact O-OG 2.95Å; E908-S911 VanDerWaalsContact O-OG 3.09Å; F909-S911 VanDerWaalsContact C-N 3.26Å; F909-S911 PolarHBondContact O-N 3.23Å
912L86.3Confident84.7Confident1 Ų146.2 Ų46.21%0.00526%0.257CS..Hα-helixtrans-78.7-38.3-176.8-174.765.6000111.9L877 L878 F906 F909 P914 V927L877-L912 HydrophobicContact CB-CD1 3.99Å; L877-L912 HydrophobicContact CD1-CD1 4.29Å; L877-L912 HydrophobicContact CD1-CD2 4.11Å; L878-L912 HydrophobicContact CD2-CD1 4.17Å; L878-L912 HydrophobicContact CG-CD1 4.3Å; F906-L912 HydrophobicContact CD1-CD2 4.15Å; F906-L912 HydrophobicContact CE1-CD2 4.27Å; F909-L912 HydrophobicContact CE2-CD2 4.48Å; F909-L912 PolarHBondContact O-N 3.31Å; L912-P914 VanDerWaalsContact C-CD 3.46Å; L912-P914 WeakPolarHBondContact O-CD 3.14Å; L912-V927 HydrophobicContact CD1-CG1 3.75Å; L912-V927 HydrophobicContact CG-CG1 4.3Å
913A86.9Confident84.8Confident0 Ų047.6 Ų47.60%027%0.266CS..SBendtrans-128.264.2-172.900000113.4F909 V928 L931 I956 D957 L960F909-A913 HydrophobicContact CE1-CB 4.14Å; F909-A913 HydrophobicContact CZ-CB 4.12Å; F909-A913 PolarHBondContact O-N 2.87Å; F909-A913 VanDerWaalsContact O-N 3.13Å; A913-V928 HydrophobicContact CB-CG2 3.83Å; A913-L931 HydrophobicContact CB-CD2 4.48Å; A913-I956 WeakPolarHBondContact O-CA 3.25Å; A913-D957 PolarHBondContact O-N 3.46Å; A913-L960 HydrophobicContact CB-CD1 3.4Å; A913-L960 VanDerWaalsContact CB-CD1 3.4Å
914P88.6Confident84.6Confident12 Ų1248 Ų488%0.07827%0.268CS..BIsolated β-bridgetrans-66.1164.4173.431.1-35.6000111.2L912 R916 H918 T924 L955L912-P914 VanDerWaalsContact C-CD 3.46Å; L912-P914 WeakPolarHBondContact O-CD 3.14Å; P914-R916 PolarHBondContact O-N 3.47Å; P914-H918 HydrophobicContact CB-CB 4.25Å; P914-T924 HydrophobicContact CG-CG2 4.3Å; P914-L955 CarbonylContact C-O 3.52Å; P914-L955 VanDerWaalsContact CA-O 3.26Å; P914-L955 WeakPolarHBondContact CA-O 3.33Å
915R85.5Confident84.5Confident141 Ų14149.8 Ų49.853%0.53228%0.278SS..PPolyproline II helixtrans-55.7138.9170.6-69.9-172.1-174.1-174.33.4110.4G917 H918 D954 L955R915-G917 PolarHBondContact O-N 3.21Å; R915-H918 WeakPolarHBondContact O-CB 3.47Å; R915-H918 PolarHBondContact O-N 3.02Å; R915-D954 PolarHBondContact NE-O 3Å; R915-D954 PolarHBondContact NH2-O 3.24Å; R915-L955 PolarHBondContact N-O 2.76Å
916R83.9Confident84.3Confident117 Ų11756.6 Ų56.644%0.44230%0.303SS..THydrogen-bonded Turntrans-54136179.9-64173.7-177.8-112-10.6111.5P914 D925 N929 D957P914-R916 PolarHBondContact O-N 3.47Å; R916-D925 VanDerWaalsContact CA-OD1 3.31Å; R916-D925 WeakPolarHBondContact CA-OD1 3.45Å; R916-N929 PolarHBondContact NH1-OD1 3.2Å; R916-N929 PolarHBondContact NH2-OD1 2.89Å; R916-D957 IonicContact CZ-OD2 3.83Å; R916-D957 IonicContact NE-OD2 3.26Å; R916-D957 PolarHBondContact NE-OD2 2.82Å; R916-D957 IonicContact NH2-OD2 2.83Å
917G74.4Confident84.2Confident62 Ų6256.7 Ų56.764%0.63930%0.304SS*.THydrogen-bonded Turntrans81.97.1-178.600000115.5R915 D925R915-G917 PolarHBondContact O-N 3.21Å; G917-D925 PolarHBondContact N-OD1 2.86Å
918H74.4Confident84.1Confident130 Ų13055.2 Ų55.260%0.60230%0.296SS*.SBendtrans-74.1-28.4172.3-174.4-82.8000112.7P914 R915P914-H918 HydrophobicContact CB-CB 4.25Å; R915-H918 WeakPolarHBondContact O-CB 3.47Å; R915-H918 PolarHBondContact O-N 3.02Å
919D79.7Confident84.1Confident57 Ų5753.4 Ų53.431%0.30529%0.29SS..  trans-107.3134.1176.7-74.5-13.4000112.3T921 T924D919-T921 VanDerWaalsContact C-N 3.28Å; D919-T921 PolarHBondContact O-N 2.86Å; D919-T924 VanDerWaalsContact CB-OG1 3.32Å; D919-T924 WeakPolarHBondContact CB-OG1 3.29Å; D919-T924 VanDerWaalsContact CG-OG1 3.29Å; D919-T924 WeakPolarHBondContact OD2-CB 3.22Å; D919-T924 WeakPolarHBondContact OD2-CG2 3.29Å; D919-T924 PolarHBondContact OD2-OG1 3.36Å
920S71.7Confident84Confident130 Ų13053.9 Ų53.991%0.90929%0.292SS*.THydrogen-bonded Turntrans-73.5-16.2178.153.70000114.2
921T75.1Confident84Confident101 Ų10153 Ų5362%0.6229%0.287SS*.THydrogen-bonded Turntrans-89.8-11.1-176.960.10000113.4D919 V923D919-T921 VanDerWaalsContact C-N 3.28Å; D919-T921 PolarHBondContact O-N 2.86Å; T921-V923 PolarHBondContact O-N 3.28Å
922G81.7Confident84.1Confident21 Ų2151.8 Ų51.822%0.21628%0.278CS..SBendtrans63.65.8-179.300000115.4R926G922-R926 WeakPolarHBondContact O-CG 3.3Å; G922-R926 PolarHBondContact O-N 3.35Å
923V84.1Confident84.1Confident29 Ų2955.8 Ų55.818%0.17630%0.302CS..Hα-helixtrans-68.5-44.8-179.5176.80000110.5T921 R926 V927T921-V923 PolarHBondContact O-N 3.28Å; V923-R926 PolarHBondContact O-N 2.95Å; V923-V927 WeakPolarHBondContact O-CG2 3.45Å; V923-V927 PolarHBondContact O-N 3.29Å; V923-V927 VanDerWaalsContact O-N 3.09Å
924T85.6Confident84.1Confident7 Ų757.5 Ų57.54%0.04331%0.31CS..Hα-helixtrans-66.6-37.3178.243.50000112.3L878 P914 D919 R926 V927 V928L878-T924 HydrophobicContact CD2-CG2 4.13Å; P914-T924 HydrophobicContact CG-CG2 4.3Å; D919-T924 VanDerWaalsContact CB-OG1 3.32Å; D919-T924 WeakPolarHBondContact CB-OG1 3.29Å; D919-T924 VanDerWaalsContact CG-OG1 3.29Å; D919-T924 WeakPolarHBondContact OD2-CB 3.22Å; D919-T924 WeakPolarHBondContact OD2-CG2 3.29Å; D919-T924 PolarHBondContact OD2-OG1 3.36Å; T924-R926 VanDerWaalsContact C-N 3.3Å; T924-R926 PolarHBondContact O-N 2.9Å; T924-V927 PolarHBondContact O-N 3.14Å; T924-V928 VanDerWaalsContact O-CG2 3.32Å; T924-V928 WeakPolarHBondContact O-CG2 3.24Å; T924-V928 PolarHBondContact O-N 3.35Å
925D88Confident83.9Confident39 Ų3957.5 Ų57.521%0.20931%0.309CS..Hα-helixtrans-59.8-39.7174.3-72.3-15.2000112.2R916 G917 N929R916-D925 VanDerWaalsContact CA-OD1 3.31Å; R916-D925 WeakPolarHBondContact CA-OD1 3.45Å; G917-D925 PolarHBondContact N-OD1 2.86Å; D925-N929 VanDerWaalsContact O-CG 3.25Å; D925-N929 PolarHBondContact O-N 3.35Å; D925-N929 PolarHBondContact O-ND2 3.44Å; D925-N929 VanDerWaalsContact O-ND2 3.17Å
926R86.3Confident83.7Confident143 Ų14354.4 Ų54.454%0.5430%0.304SS..Hα-helixtrans-66.7-43.8174.9-66.8175.8-171.3-166.52.3111.7G922 V923 T924 V928 N929 Q930G922-R926 WeakPolarHBondContact O-CG 3.3Å; G922-R926 PolarHBondContact O-N 3.35Å; V923-R926 PolarHBondContact O-N 2.95Å; T924-R926 VanDerWaalsContact C-N 3.3Å; T924-R926 PolarHBondContact O-N 2.9Å; R926-V928 VanDerWaalsContact C-N 3.34Å; R926-V928 PolarHBondContact O-N 3.46Å; R926-N929 PolarHBondContact O-N 3.36Å; R926-Q930 PolarHBondContact O-N 3.43Å
927V88.8Confident82.9Confident3 Ų350.4 Ų50.42%0.01830%0.298CS..Hα-helixtrans-61.3-42.1176.1173.80000111.2V889 L912 V923 T924 Q930 L931V889-V927 HydrophobicContact CG2-CG1 3.89Å; L912-V927 HydrophobicContact CD1-CG1 3.75Å; L912-V927 HydrophobicContact CG-CG1 4.3Å; V923-V927 WeakPolarHBondContact O-CG2 3.45Å; V923-V927 PolarHBondContact O-N 3.29Å; V923-V927 VanDerWaalsContact O-N 3.09Å; T924-V927 PolarHBondContact O-N 3.14Å; V927-Q930 PolarHBondContact O-N 3.32Å; V927-L931 WeakPolarHBondContact O-CB 3.31Å; V927-L931 PolarHBondContact O-N 3.46Å
928V89.5Confident81.4Confident0 Ų055 Ų550%031%0.314CS..Hα-helixtrans-62-45.8174.5171.90000110.8A913 T924 R926 Q930 L931 L932 D957A913-V928 HydrophobicContact CB-CG2 3.83Å; T924-V928 VanDerWaalsContact O-CG2 3.32Å; T924-V928 WeakPolarHBondContact O-CG2 3.24Å; T924-V928 PolarHBondContact O-N 3.35Å; R926-V928 VanDerWaalsContact C-N 3.34Å; R926-V928 PolarHBondContact O-N 3.46Å; V928-Q930 VanDerWaalsContact C-N 3.27Å; V928-Q930 PolarHBondContact O-N 3.33Å; V928-L931 PolarHBondContact O-N 3.22Å; V928-L932 HydrophobicContact CG1-CD1 4.37Å; V928-L932 HydrophobicContact CG1-CG 4.45Å; V928-L932 VanDerWaalsContact O-CG 3.27Å; V928-L932 WeakPolarHBondContact O-CG 3.4Å; V928-L932 PolarHBondContact O-N 3.43Å; V928-D957 HydrophobicContact CG1-CB 4.26Å; V928-D957 WeakPolarHBondContact CG1-OD2 3.37Å
929N89.1Confident80.4Confident66 Ų6656.4 Ų56.435%0.35332%0.321SS..Hα-helixtrans-60.4-38.3175.7-70.6-31.7000112.1R916 D925 R926 L932 T933R916-N929 PolarHBondContact NH1-OD1 3.2Å; R916-N929 PolarHBondContact NH2-OD1 2.89Å; D925-N929 VanDerWaalsContact O-CG 3.25Å; D925-N929 PolarHBondContact O-N 3.35Å; D925-N929 PolarHBondContact O-ND2 3.44Å; D925-N929 VanDerWaalsContact O-ND2 3.17Å; R926-N929 PolarHBondContact O-N 3.36Å; N929-L932 PolarHBondContact O-N 3.03Å; N929-T933 PolarHBondContact O-N 2.94Å; N929-T933 PolarHBondContact O-OG1 2.89Å
930Q89.1Confident79.3Confident12 Ų1255.9 Ų55.96%0.05633%0.328CS..Hα-helixtrans-66.3-45.1175.5-173.85736.400111.7E886 V889 R890 R926 V927 V928 L932 T933 E934E886-Q930 HydrophobicContact CG-CB 3.78Å; E886-Q930 HydrophobicContact CG-CG 3.72Å; E886-Q930 PolarHBondContact OE1-OE1 3.1Å; V889-Q930 HydrophobicContact CB-CG 4.44Å; V889-Q930 HydrophobicContact CG1-CG 4.29Å; R890-Q930 HydrophobicContact CG-CG 3.99Å; R890-Q930 VanDerWaalsContact CG-NE2 3.25Å; R926-Q930 PolarHBondContact O-N 3.43Å; V927-Q930 PolarHBondContact O-N 3.32Å; V928-Q930 VanDerWaalsContact C-N 3.27Å; V928-Q930 PolarHBondContact O-N 3.33Å; Q930-L932 VanDerWaalsContact C-N 3.27Å; Q930-L932 PolarHBondContact O-N 2.88Å; Q930-T933 WeakPolarHBondContact O-CA 3.38Å; Q930-T933 WeakPolarHBondContact O-CB 3.44Å; Q930-T933 PolarHBondContact O-N 3.41Å; Q930-E934 PolarHBondContact NE2-OE1 3.17Å; Q930-E934 WeakPolarHBondContact O-CG 3.29Å; Q930-E934 PolarHBondContact O-N 2.91Å
931L88.9Confident78.9Confident2 Ų250.4 Ų50.41%0.0129%0.289CS..Hα-helixtrans-59.7-39.8176.6-174.665.8000111.6V889 F893 F909 A913 V927 V928 T933 E934 L935 L960V889-L931 HydrophobicContact CG1-CD1 4.21Å; F893-L931 HydrophobicContact CE2-CD1 3.51Å; F893-L931 HydrophobicContact CZ-CD1 3.74Å; F909-L931 HydrophobicContact CE2-CD2 3.56Å; F909-L931 HydrophobicContact CZ-CD2 3.52Å; A913-L931 HydrophobicContact CB-CD2 4.48Å; V927-L931 WeakPolarHBondContact O-CB 3.31Å; V927-L931 PolarHBondContact O-N 3.46Å; V928-L931 PolarHBondContact O-N 3.22Å; L931-T933 VanDerWaalsContact C-N 3.32Å; L931-T933 PolarHBondContact O-N 3.37Å; L931-E934 PolarHBondContact O-N 2.71Å; L931-L935 HydrophobicContact CD1-CD1 4.38Å; L931-L935 HydrophobicContact CD1-CG 4.48Å; L931-L935 HydrophobicContact CG-CD1 4.05Å; L931-L935 WeakPolarHBondContact O-CB 3.45Å; L931-L935 WeakPolarHBondContact O-CG 3.46Å; L931-L935 PolarHBondContact O-N 2.86Å; L931-L960 HydrophobicContact CD2-CD1 4.25Å; L931-L960 HydrophobicContact CD2-CD2 3.8Å; L931-L960 HydrophobicContact CG-CD2 4.08Å
932L88.7Confident78.6Confident15 Ų1552.7 Ų52.78%0.07929%0.292CS..Hα-helixtrans-61.7-41.3172.7-69.3179.8000112.1V928 N929 Q930 L935 D936 A959 L960 R965V928-L932 HydrophobicContact CG1-CD1 4.37Å; V928-L932 HydrophobicContact CG1-CG 4.45Å; V928-L932 VanDerWaalsContact O-CG 3.27Å; V928-L932 WeakPolarHBondContact O-CG 3.4Å; V928-L932 PolarHBondContact O-N 3.43Å; N929-L932 PolarHBondContact O-N 3.03Å; Q930-L932 VanDerWaalsContact C-N 3.27Å; Q930-L932 PolarHBondContact O-N 2.88Å; L932-L935 PolarHBondContact O-N 2.66Å; L932-D936 VanDerWaalsContact O-CB 3.23Å; L932-D936 WeakPolarHBondContact O-CB 3.45Å; L932-D936 VanDerWaalsContact O-CG 3.23Å; L932-D936 PolarHBondContact O-N 2.91Å; L932-A959 HydrophobicContact CD1-CB 4.01Å; L932-A959 HydrophobicContact CD2-CB 4.23Å; L932-L960 HydrophobicContact CD2-CD2 3.47Å; L932-L960 VanDerWaalsContact CD2-CD2 3.47Å; L932-L960 HydrophobicContact CD2-CG 3.88Å; L932-L960 HydrophobicContact CG-CD2 4.25Å; L932-R965 VanDerWaalsContact CD2-NH1 3.31Å
933T86.6Confident78.3Confident84 Ų8453.1 Ų53.152%0.51530%0.297SS..Hα-helixtrans-65.6-41.6178.9-53.70000111.5N929 Q930 L931 G937N929-T933 PolarHBondContact O-N 2.94Å; N929-T933 PolarHBondContact O-OG1 2.89Å; Q930-T933 WeakPolarHBondContact O-CA 3.38Å; Q930-T933 WeakPolarHBondContact O-CB 3.44Å; Q930-T933 PolarHBondContact O-N 3.41Å; L931-T933 VanDerWaalsContact C-N 3.32Å; L931-T933 PolarHBondContact O-N 3.37Å; T933-G937 PolarHBondContact O-N 3.33Å
934E86.2Confident78.3Confident36 Ų3651.9 Ų51.917%0.16829%0.289CS..Hα-helixtrans-68.5-37.4176.5-65.4-58149.200112.7V889 F893 Q930 L931V889-E934 HydrophobicContact CG1-CG 4.42Å; F893-E934 HydrophobicContact CB-CB 4.44Å; F893-E934 HydrophobicContact CB-CG 4.28Å; F893-E934 HydrophobicContact CD1-CB 4.07Å; F893-E934 HydrophobicContact CD2-CB 3.76Å; F893-E934 HydrophobicContact CD2-CG 3.82Å; F893-E934 HydrophobicContact CE1-CB 4.24Å; F893-E934 HydrophobicContact CE2-CB 3.96Å; F893-E934 HydrophobicContact CE2-CG 4.37Å; F893-E934 HydrophobicContact CG-CB 3.82Å; F893-E934 HydrophobicContact CG-CG 4.04Å; F893-E934 HydrophobicContact CZ-CB 4.19Å; Q930-E934 PolarHBondContact NE2-OE1 3.17Å; Q930-E934 WeakPolarHBondContact O-CG 3.29Å; Q930-E934 PolarHBondContact O-N 2.91Å; L931-E934 PolarHBondContact O-N 2.71Å
935L84.2Confident78.4Confident12 Ų1252.8 Ų52.86%0.06329%0.292CS..Hα-helixtrans-74.7-32178-67.7173.9000112.8F893 L931 L932 L941 V946 L960 R965F893-L935 HydrophobicContact CE1-CD2 4.06Å; F893-L935 HydrophobicContact CZ-CD2 3.98Å; F893-L935 HydrophobicContact CZ-CG 4.41Å; L931-L935 HydrophobicContact CD1-CD1 4.38Å; L931-L935 HydrophobicContact CD1-CG 4.48Å; L931-L935 HydrophobicContact CG-CD1 4.05Å; L931-L935 WeakPolarHBondContact O-CB 3.45Å; L931-L935 WeakPolarHBondContact O-CG 3.46Å; L931-L935 PolarHBondContact O-N 2.86Å; L932-L935 PolarHBondContact O-N 2.66Å; L935-L941 HydrophobicContact CD2-CD1 4.05Å; L935-V946 HydrophobicContact CD2-CB 4.46Å; L935-V946 HydrophobicContact CD2-CG1 4.33Å; L935-V946 HydrophobicContact CD2-CG2 4.02Å; L935-L960 HydrophobicContact CD1-CD2 3.78Å; L935-R965 HydrophobicContact CB-CB 4.41Å; L935-R965 HydrophobicContact CB-CG 4.18Å; L935-R965 HydrophobicContact CD1-CB 4.3Å
936D81.4Confident78.5Confident77 Ų7751.1 Ų51.141%0.41228%0.284SS..Hα-helixtrans-87.3-9.3178.8-71.2-17.9000113.9L932 R965L932-D936 VanDerWaalsContact O-CB 3.23Å; L932-D936 WeakPolarHBondContact O-CB 3.45Å; L932-D936 VanDerWaalsContact O-CG 3.23Å; L932-D936 PolarHBondContact O-N 2.91Å; D936-R965 WeakPolarHBondContact OD1-CG 3.27Å; D936-R965 IonicContact OD1-CZ 2.8Å; D936-R965 IonicContact OD1-NE 2.67Å; D936-R965 PolarHBondContact OD1-NE 3.35Å; D936-R965 IonicContact OD1-NH2 3.42Å; D936-R965 IonicContact OD2-CZ 3.62Å; D936-R965 IonicContact OD2-NE 2.75Å; D936-R965 PolarHBondContact OD2-NE 3.15Å; D936-R965 IonicContact OD2-NH2 3.1Å; D936-R965 PolarHBondContact OD2-NH2 3.43Å
937G68.3Low78.7Confident32 Ų3244.4 Ų44.433%0.3326%0.258SS..  trans-42.3140.3-168.400000115.5T933 E939 G940T933-G937 PolarHBondContact O-N 3.33Å; G937-E939 CarbonylContact O-C 3.58Å; G937-E939 PolarHBondContact O-N 2.68Å; G937-G940 PolarHBondContact O-N 3.08Å
938V43Very low78.9Confident159 Ų15944.2 Ų44.296%0.96426%0.257SS*.SBendtrans-59.8-29.9-176.6-1700000111.9G940V938-G940 PolarHBondContact O-N 2.87Å
939E53.2Low79Confident160 Ų16044.2 Ų44.275%0.74826%0.257SS*.SBendtrans-8988.9165.8-60.4-172.7175.800108.3G937G937-E939 CarbonylContact O-C 3.58Å; G937-E939 PolarHBondContact O-N 2.68Å
940G55Low79.1Confident45 Ų4541.2 Ų41.246%0.46424%0.241SC..  trans-48.7146.7-178.800000112.2G937 V938 Q942G937-G940 PolarHBondContact O-N 3.08Å; V938-G940 PolarHBondContact O-N 2.87Å; G940-Q942 PolarHBondContact O-N 3.35Å
941L63.7Low79.1Confident16 Ų1642.4 Ų42.48%0.08425%0.251CS..  trans-6357.1179-67.2169.4000112.8F893 L935 G943 V944 V946F893-L941 HydrophobicContact CD1-CD2 4.02Å; F893-L941 HydrophobicContact CE1-CD1 4.28Å; F893-L941 HydrophobicContact CE1-CD2 4.32Å; L935-L941 HydrophobicContact CD2-CD1 4.05Å; L941-G943 PolarHBondContact O-N 3.05Å; L941-V944 HydrophobicContact CB-CB 4.29Å; L941-V944 HydrophobicContact CD2-CB 4.35Å; L941-V944 HydrophobicContact CD2-CG1 4.49Å; L941-V944 PolarHBondContact O-N 3.22Å; L941-V946 HydrophobicContact CD1-CG2 3.96Å
942Q69.6Low79.1Confident148 Ų14847.9 Ų47.969%0.69227%0.271SS*.THydrogen-bonded Turntrans-67.2117.5178.2-69.5-176.61.600108.4K900 G940K900-Q942 WeakPolarHBondContact CD-O 3.25Å; K900-Q942 WeakPolarHBondContact CE-O 3.32Å; K900-Q942 PolarHBondContact NZ-O 3.12Å; G940-Q942 PolarHBondContact O-N 3.35Å
943G74.4Confident79Confident31 Ų3147.4 Ų47.432%0.3227%0.269SS..THydrogen-bonded Turntrans83.14.6-179.900000115.6P901 C902 L941P901-G943 WeakPolarHBondContact CA-O 3.48Å; C902-G943 PolarHBondContact N-O 3.47Å; C902-G943 VanDerWaalsContact N-O 3.08Å; L941-G943 PolarHBondContact O-N 3.05Å
944V84.4Confident79Confident2 Ų246 Ų461%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-115.9121174.4-179.20000109.2A896 Q897 K900 L904 L941A896-V944 HydrophobicContact CB-CG1 4.01Å; Q897-V944 HydrophobicContact CG-CG2 4.4Å; K900-V944 HydrophobicContact CD-CG2 4.43Å; K900-V944 HydrophobicContact CG-CG2 3.81Å; L904-V944 HydrophobicContact CB-CG1 4.36Å; L941-V944 HydrophobicContact CB-CB 4.29Å; L941-V944 HydrophobicContact CD2-CB 4.35Å; L941-V944 HydrophobicContact CD2-CG1 4.49Å; L941-V944 PolarHBondContact O-N 3.22Å
945Y87.5Confident79Confident27 Ų2746.4 Ų46.411%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-102.3123175-63.3-85.4000110M867 C902 I903 L904M867-Y945 HydrophobicContact CE-CD2 3.51Å; M867-Y945 HydrophobicContact CE-CE2 3.65Å; M867-Y945 HydrophobicContact SD-CD2 4.27Å; M867-Y945 HydrophobicContact SD-CE2 4.21Å; C902-Y945 PolarHBondContact O-N 3.4Å; I903-Y945 CarbonylContact C-O 3.43Å; I903-Y945 WeakPolarHBondContact CA-O 3.4Å; L904-Y945 PolarHBondContact N-O 3.3Å
946V90.4Very high79.2Confident4 Ų446 Ų462%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-96.9115.2178.3-175.70000109.1S842 G843 I844 F893 L904 F906 L935 L941S842-V946 PolarHBondContact O-N 2.65Å; G843-V946 CarbonylContact C-O 3.58Å; G843-V946 VanDerWaalsContact CA-O 3.3Å; G843-V946 WeakPolarHBondContact CA-O 3.41Å; I844-V946 PolarHBondContact N-O 3.2Å; F893-V946 HydrophobicContact CE1-CG2 4.07Å; L904-V946 HydrophobicContact CD2-CG2 4.42Å; L904-V946 CarbonylContact O-C 3.57Å; L904-V946 WeakPolarHBondContact O-CA 3.5Å; F906-V946 HydrophobicContact CD2-CG1 3.93Å; F906-V946 HydrophobicContact CE2-CG1 3.85Å; L935-V946 HydrophobicContact CD2-CB 4.46Å; L935-V946 HydrophobicContact CD2-CG1 4.33Å; L935-V946 HydrophobicContact CD2-CG2 4.02Å; L941-V946 HydrophobicContact CD1-CG2 3.96Å
947L91Very high79.6Confident1 Ų142.8 Ų42.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-110.4127.5174.3-57.3-178.6000108.5L819 I823 I844 I858 I903 L904 F905 F906L819-L947 HydrophobicContact CD1-CD2 4.2Å; I823-L947 HydrophobicContact CD1-CD1 4.32Å; I823-L947 HydrophobicContact CD1-CD2 4.46Å; I844-L947 HydrophobicContact CB-CD2 3.64Å; I844-L947 HydrophobicContact CD1-CD2 3.78Å; I844-L947 HydrophobicContact CG1-CD2 3.95Å; I844-L947 HydrophobicContact CG2-CD2 4.48Å; I844-L947 WeakPolarHBondContact O-CA 3.31Å; I858-L947 HydrophobicContact CG1-CD1 4.41Å; I858-L947 HydrophobicContact CG2-CB 4.5Å; I858-L947 HydrophobicContact CG2-CD1 3.61Å; I903-L947 HydrophobicContact CG2-CD1 3.43Å; I903-L947 VanDerWaalsContact CG2-CD1 3.43Å; I903-L947 HydrophobicContact CG2-CG 3.91Å; L904-L947 PolarHBondContact O-N 3.42Å; F905-L947 CarbonylContact C-O 3.57Å; F905-L947 VanDerWaalsContact CA-O 3.3Å; F905-L947 WeakPolarHBondContact CA-O 3.42Å; F905-L947 HydrophobicContact CD2-CB 4.08Å; F905-L947 WeakPolarHBondContact CD2-O 3.46Å; F906-L947 PolarHBondContact N-O 2.79Å
948A91.9Very high80.5Confident0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-118.2137174.800000109.6I844 L845 L846 F906 F909 L966I844-A948 PolarHBondContact O-N 3.36Å; L845-A948 CarbonylContact C-O 3.52Å; L845-A948 WeakPolarHBondContact CA-O 3.3Å; L845-A948 HydrophobicContact CD1-CB 3.71Å; L846-A948 PolarHBondContact N-O 2.74Å; F906-A948 CarbonylContact O-C 3.53Å; F906-A948 WeakPolarHBondContact O-CA 3.46Å; F909-A948 HydrophobicContact CB-CB 4.07Å; F909-A948 HydrophobicContact CD1-CB 4.14Å; F909-A948 HydrophobicContact CD2-CB 4.05Å; F909-A948 HydrophobicContact CE2-CB 4.5Å; F909-A948 HydrophobicContact CG-CB 3.83Å; A948-L966 HydrophobicContact CB-CD2 4.33Å
949A92.8Very high82.7Confident0 Ų038 Ų380%021%0.209CC..EExtended strand (participates in β ladder)trans-113.5136.1170.600000110.6L846 K854 I858 F905 F906 E908 F909L846-A949 WeakPolarHBondContact O-CA 3.29Å; K854-A949 HydrophobicContact CB-CB 4.32Å; I858-A949 HydrophobicContact CD1-CB 4.29Å; F905-A949 HydrophobicContact CE2-CB 3.63Å; F905-A949 HydrophobicContact CZ-CB 3.83Å; F906-A949 PolarHBondContact O-N 2.85Å; E908-A949 PolarHBondContact N-O 2.96Å; F909-A949 WeakPolarHBondContact CB-O 3.46Å; F909-A949 PolarHBondContact N-O 2.81Å
950T91.1Very high84.3Confident2 Ų230.3 Ų30.31%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-138.8149.9173.7-174.10000111.3L845 L846 Y847 G848 K854 D910 R952 P953 I956L845-T950 HydrophobicContact CD1-CG2 3.95Å; L845-T950 HydrophobicContact CG-CG2 4.46Å; L846-T950 PolarHBondContact O-N 2.85Å; Y847-T950 WeakPolarHBondContact CA-O 3.39Å; G848-T950 PolarHBondContact N-O 2.95Å; K854-T950 VanDerWaalsContact CE-O 3.26Å; K854-T950 WeakPolarHBondContact CE-O 3.27Å; D910-T950 PolarHBondContact OD1-OG1 3.4Å; T950-R952 PolarHBondContact OG1-N 3.19Å; T950-R952 VanDerWaalsContact OG1-N 3.07Å; T950-R952 PolarHBondContact OG1-O 3.44Å; T950-P953 HydrophobicContact CG2-CB 4.13Å; T950-I956 HydrophobicContact CG2-CD1 3.66Å
951S89.5Confident85.9Confident37 Ų3730.8 Ų30.826%0.25917%0.165SC..SBendtrans-95.6-18.1167.5-59.60000112.4G848 K854 Y1217G848-S951 WeakPolarHBondContact O-CA 3.35Å; K854-S951 PolarHBondContact NZ-OG 3.17Å; S951-Y1217 PolarHBondContact O-OH 2.81Å
952R87.3Confident87Confident117 Ų11737.3 Ų37.344%0.44219%0.189SC..  trans-132.581.5-174-70.3-171.1-60.8172.45.5110.4D910 T950 D954 L955D910-R952 IonicContact OD2-CZ 3.08Å; D910-R952 IonicContact OD2-NE 2.59Å; D910-R952 PolarHBondContact OD2-NE 3.07Å; D910-R952 IonicContact OD2-NH2 3.38Å; D910-R952 PolarHBondContact OD2-NH2 3.1Å; D910-R952 VanDerWaalsContact OD2-NH2 3.15Å; T950-R952 PolarHBondContact OG1-N 3.19Å; T950-R952 VanDerWaalsContact OG1-N 3.07Å; T950-R952 PolarHBondContact OG1-O 3.44Å; R952-D954 VanDerWaalsContact C-OD1 3.26Å; R952-D954 WeakPolarHBondContact CA-OD1 3.34Å; R952-D954 WeakPolarHBondContact CB-OD1 3.38Å; R952-D954 PolarHBondContact O-N 2.78Å; R952-L955 HydrophobicContact CB-CD1 4.17Å; R952-L955 HydrophobicContact CB-CG 4.33Å; R952-L955 VanDerWaalsContact NH2-CD1 3.32Å; R952-L955 PolarHBondContact O-N 3.37Å
953P87.1Confident87.6Confident6 Ų636.2 Ų36.24%0.03919%0.194CC..G310 helixtrans-67.9-17.3-179.130.1-36000112.9Y847 T950 L955 I956 Y1217 F1220Y847-P953 HydrophobicContact CD2-CG 4.04Å; Y847-P953 HydrophobicContact CG-CB 4.4Å; Y847-P953 HydrophobicContact CG-CG 4.34Å; T950-P953 HydrophobicContact CG2-CB 4.13Å; P953-L955 VanDerWaalsContact C-N 3.29Å; P953-L955 PolarHBondContact O-N 2.86Å; P953-I956 PolarHBondContact O-N 3.35Å; P953-Y1217 HydrophobicContact CG-CD1 4.11Å; P953-Y1217 HydrophobicContact CG-CE1 4.18Å; P953-F1220 HydrophobicContact CB-CD1 4.06Å; P953-F1220 HydrophobicContact CB-CD2 3.89Å; P953-F1220 HydrophobicContact CB-CE1 3.92Å; P953-F1220 HydrophobicContact CB-CE2 3.75Å; P953-F1220 HydrophobicContact CB-CG 4.03Å; P953-F1220 HydrophobicContact CB-CZ 3.76Å; P953-F1220 HydrophobicContact CG-CB 4.44Å; P953-F1220 HydrophobicContact CG-CD1 4.24Å; P953-F1220 HydrophobicContact CG-CD2 4.24Å; P953-F1220 HydrophobicContact CG-CG 4.05Å
954D86.1Confident87.7Confident54 Ų5435.2 Ų35.229%0.28918%0.184SC..G310 helixtrans-64.4-31.7175.958.5-55.6000112.8R915 R952R915-D954 PolarHBondContact NE-O 3Å; R915-D954 PolarHBondContact NH2-O 3.24Å; R952-D954 VanDerWaalsContact C-OD1 3.26Å; R952-D954 WeakPolarHBondContact CA-OD1 3.34Å; R952-D954 WeakPolarHBondContact CB-OD1 3.38Å; R952-D954 PolarHBondContact O-N 2.78Å
955L86.2Confident87.8Confident44 Ų4436.8 Ų36.823%0.2319%0.19CC..G310 helixtrans-83.1-10.1-177.2-65-179.6000114.2D910 P914 R915 R952 P953D910-L955 HydrophobicContact CB-CB 4.32Å; P914-L955 CarbonylContact C-O 3.52Å; P914-L955 VanDerWaalsContact CA-O 3.26Å; P914-L955 WeakPolarHBondContact CA-O 3.33Å; R915-L955 PolarHBondContact N-O 2.76Å; R952-L955 HydrophobicContact CB-CD1 4.17Å; R952-L955 HydrophobicContact CB-CG 4.33Å; R952-L955 VanDerWaalsContact NH2-CD1 3.32Å; R952-L955 PolarHBondContact O-N 3.37Å; P953-L955 VanDerWaalsContact C-N 3.29Å; P953-L955 PolarHBondContact O-N 2.86Å
956I89.3Confident87.7Confident4 Ų435.8 Ų35.82%0.02119%0.186CC..BIsolated β-bridgetrans-75.9144.2-177.6-62.1172.1000110.5L845 F909 D910 A913 T950 P953 P958 L960L845-I956 HydrophobicContact CD1-CD1 4.12Å; L845-I956 HydrophobicContact CD2-CD1 4.1Å; F909-I956 HydrophobicContact CD1-CD1 3.92Å; F909-I956 HydrophobicContact CD1-CG1 4.31Å; F909-I956 HydrophobicContact CD1-CG2 4.38Å; F909-I956 HydrophobicContact CE1-CG2 4.1Å; D910-I956 HydrophobicContact CB-CG1 4.4Å; A913-I956 WeakPolarHBondContact O-CA 3.25Å; T950-I956 HydrophobicContact CG2-CD1 3.66Å; P953-I956 PolarHBondContact O-N 3.35Å; I956-P958 WeakPolarHBondContact O-CD 3.38Å; I956-L960 HydrophobicContact CG2-CB 4.42Å; I956-L960 HydrophobicContact CG2-CD1 4.24Å
957D89.9Confident87.2Confident10 Ų1038 Ų385%0.05320%0.198CC..  trans-60.5119.5170.4-176.22.5000110.6A913 R916 V928 A959 L960A913-D957 PolarHBondContact O-N 3.46Å; R916-D957 IonicContact CZ-OD2 3.83Å; R916-D957 IonicContact NE-OD2 3.26Å; R916-D957 PolarHBondContact NE-OD2 2.82Å; R916-D957 IonicContact NH2-OD2 2.83Å; V928-D957 HydrophobicContact CG1-CB 4.26Å; V928-D957 WeakPolarHBondContact CG1-OD2 3.37Å; D957-A959 PolarHBondContact O-N 3.17Å; D957-A959 WeakPolarHBondContact OD1-CB 3.42Å; D957-A959 PolarHBondContact OD1-N 3.23Å; D957-A959 WeakPolarHBondContact OD2-CB 3.49Å; D957-L960 HydrophobicContact CB-CD1 4.28Å; D957-L960 PolarHBondContact O-N 2.65Å
958P87.6Confident86.9Confident80 Ų8042 Ų4252%0.51922%0.215SC..THydrogen-bonded Turntrans-59.4-16.6176.925.5-36.8000113.6I956 L960 L961I956-P958 WeakPolarHBondContact O-CD 3.38Å; P958-L960 VanDerWaalsContact C-N 3.25Å; P958-L960 PolarHBondContact O-N 2.75Å; P958-L961 PolarHBondContact O-N 3.34Å
959A88.9Confident86.8Confident9 Ų945.1 Ų45.17%0.07424%0.237CC..THydrogen-bonded Turntrans-57.6-39.4170.600000111.7L932 D957 L961 R962 R965L932-A959 HydrophobicContact CD1-CB 4.01Å; L932-A959 HydrophobicContact CD2-CB 4.23Å; D957-A959 PolarHBondContact O-N 3.17Å; D957-A959 WeakPolarHBondContact OD1-CB 3.42Å; D957-A959 PolarHBondContact OD1-N 3.23Å; D957-A959 WeakPolarHBondContact OD2-CB 3.49Å; A959-L961 VanDerWaalsContact C-N 3.27Å; A959-L961 PolarHBondContact O-N 3.42Å; A959-R962 WeakPolarHBondContact O-CB 3.43Å; A959-R962 WeakPolarHBondContact O-CG 3.26Å; A959-R962 PolarHBondContact O-N 2.87Å; A959-R965 VanDerWaalsContact C-NH1 3.35Å; A959-R965 WeakPolarHBondContact O-CD 3.37Å; A959-R965 PolarHBondContact O-NH1 3.48Å
960L87.7Confident86.6Confident0 Ų045.5 Ų45.50%024%0.239CC..THydrogen-bonded Turntrans-70.4-23.3-176.7-71159.7000113.4F909 A913 L931 L932 L935 I956 D957 P958 R962 R965 L966F909-L960 HydrophobicContact CE1-CD1 3.85Å; F909-L960 HydrophobicContact CZ-CD1 3.84Å; F909-L960 HydrophobicContact CZ-CD2 4.42Å; A913-L960 HydrophobicContact CB-CD1 3.4Å; A913-L960 VanDerWaalsContact CB-CD1 3.4Å; L931-L960 HydrophobicContact CD2-CD1 4.25Å; L931-L960 HydrophobicContact CD2-CD2 3.8Å; L931-L960 HydrophobicContact CG-CD2 4.08Å; L932-L960 HydrophobicContact CD2-CD2 3.47Å; L932-L960 VanDerWaalsContact CD2-CD2 3.47Å; L932-L960 HydrophobicContact CD2-CG 3.88Å; L932-L960 HydrophobicContact CG-CD2 4.25Å; L935-L960 HydrophobicContact CD1-CD2 3.78Å; I956-L960 HydrophobicContact CG2-CB 4.42Å; I956-L960 HydrophobicContact CG2-CD1 4.24Å; D957-L960 HydrophobicContact CB-CD1 4.28Å; D957-L960 PolarHBondContact O-N 2.65Å; P958-L960 VanDerWaalsContact C-N 3.25Å; P958-L960 PolarHBondContact O-N 2.75Å; L960-R962 VanDerWaalsContact C-N 3.28Å; L960-R962 PolarHBondContact O-N 2.79Å; L960-R965 WeakPolarHBondContact O-CB 3.36Å; L960-L966 HydrophobicContact CB-CD1 4.23Å; L960-L966 WeakPolarHBondContact O-CB 3.26Å; L960-L966 PolarHBondContact O-N 3.17Å; L960-L966 VanDerWaalsContact O-N 3.17Å
961L87.4Confident86.5Confident54 Ų5449 Ų4928%0.28325%0.253SS..THydrogen-bonded Turntrans-83.3-1.4179.2-58.3176000113.5L845 P958 A959 F1220L845-L961 HydrophobicContact CD2-CD2 3.45Å; L845-L961 VanDerWaalsContact CD2-CD2 3.45Å; P958-L961 PolarHBondContact O-N 3.34Å; A959-L961 VanDerWaalsContact C-N 3.27Å; A959-L961 PolarHBondContact O-N 3.42Å; L961-F1220 HydrophobicContact CD1-CE2 3.66Å; L961-F1220 HydrophobicContact CD1-CZ 3.61Å; L961-F1220 HydrophobicContact CD2-CZ 4.18Å
962R87.3Confident86.5Confident154 Ų15447.3 Ų47.358%0.58124%0.24SC*.SBendtrans-70.1144179.4-68.1-176.3-176.4177.52110.5A959 L960 G964 R965A959-R962 WeakPolarHBondContact O-CB 3.43Å; A959-R962 WeakPolarHBondContact O-CG 3.26Å; A959-R962 PolarHBondContact O-N 2.87Å; L960-R962 VanDerWaalsContact C-N 3.28Å; L960-R962 PolarHBondContact O-N 2.79Å; R962-G964 PolarHBondContact O-N 2.92Å; R962-R965 PolarHBondContact O-N 3.02Å
963P81.3Confident86.5Confident125 Ų12544 Ų4481%0.81223%0.234SC*.THydrogen-bonded Turntrans-54.4135.5173.9-2533.6000111.9
964G77.1Confident86.3Confident10 Ų1044.9 Ų44.910%0.10324%0.24CC..THydrogen-bonded Turntrans102.3-7.2-170.200000115.1R839 R962 D967R839-G964 VanDerWaalsContact CZ-CA 3.44Å; R839-G964 PolarHBondContact NH2-O 2.85Å; R962-G964 PolarHBondContact O-N 2.92Å; G964-D967 VanDerWaalsContact CA-OD1 3.31Å; G964-D967 WeakPolarHBondContact CA-OD1 3.44Å; G964-D967 PolarHBondContact N-OD1 2.96Å
965R86.6Confident86.4Confident35 Ų3543.2 Ų43.213%0.13223%0.232CC..SBendtrans-122.7-100.9-177.3-60.8167.6-174.3173.2-5.5109.3G843 L932 L935 D936 A959 L960 R962 D967G843-R965 WeakPolarHBondContact CA-O 3.43Å; L932-R965 VanDerWaalsContact CD2-NH1 3.31Å; L935-R965 HydrophobicContact CB-CB 4.41Å; L935-R965 HydrophobicContact CB-CG 4.18Å; L935-R965 HydrophobicContact CD1-CB 4.3Å; D936-R965 WeakPolarHBondContact OD1-CG 3.27Å; D936-R965 IonicContact OD1-CZ 2.8Å; D936-R965 IonicContact OD1-NE 2.67Å; D936-R965 PolarHBondContact OD1-NE 3.35Å; D936-R965 IonicContact OD1-NH2 3.42Å; D936-R965 IonicContact OD2-CZ 3.62Å; D936-R965 IonicContact OD2-NE 2.75Å; D936-R965 PolarHBondContact OD2-NE 3.15Å; D936-R965 IonicContact OD2-NH2 3.1Å; D936-R965 PolarHBondContact OD2-NH2 3.43Å; A959-R965 VanDerWaalsContact C-NH1 3.35Å; A959-R965 WeakPolarHBondContact O-CD 3.37Å; A959-R965 PolarHBondContact O-NH1 3.48Å; L960-R965 WeakPolarHBondContact O-CB 3.36Å; R962-R965 PolarHBondContact O-N 3.02Å; R965-D967 PolarHBondContact N-OD1 2.76Å; R965-D967 PolarHBondContact O-N 3.46Å
966L86.4Confident86.5Confident5 Ų546.7 Ų46.73%0.02625%0.251CS..SBendtrans-89.579.1169.4-61.8172.9000109.5L845 F909 A948 L960 K968L845-L966 HydrophobicContact CB-CB 4.45Å; L845-L966 HydrophobicContact CB-CD1 4.34Å; L845-L966 HydrophobicContact CD1-CD1 4.46Å; F909-L966 HydrophobicContact CE1-CD1 3.81Å; F909-L966 HydrophobicContact CZ-CD1 4.16Å; A948-L966 HydrophobicContact CB-CD2 4.33Å; L960-L966 HydrophobicContact CB-CD1 4.23Å; L960-L966 WeakPolarHBondContact O-CB 3.26Å; L960-L966 PolarHBondContact O-N 3.17Å; L960-L966 VanDerWaalsContact O-N 3.17Å; L966-K968 PolarHBondContact O-N 3.22Å
967D79.4Confident86.5Confident51 Ų5151.5 Ų51.527%0.27327%0.273SS..  trans-64.8-38.2-170.7-68.9-13.2000114C841 G843 G964 R965C841-D967 HydrophobicContact CB-CB 4.39Å; G843-D967 PolarHBondContact O-N 2.93Å; G843-D967 VanDerWaalsContact O-N 3.14Å; G964-D967 VanDerWaalsContact CA-OD1 3.31Å; G964-D967 WeakPolarHBondContact CA-OD1 3.44Å; G964-D967 PolarHBondContact N-OD1 2.96Å; R965-D967 PolarHBondContact N-OD1 2.76Å; R965-D967 PolarHBondContact O-N 3.46Å
968K85.3Confident86.5Confident86 Ų8658.6 Ų58.637%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-118.4126-176.6-69.1-170.5-178.3179.70110.8T822 G843 I844 L845 L966T822-K968 PolarHBondContact OG1-NZ 2.92Å; T822-K968 VanDerWaalsContact OG1-NZ 3.07Å; G843-K968 PolarHBondContact O-N 3.44Å; I844-K968 CarbonylContact C-O 3.56Å; I844-K968 VanDerWaalsContact CA-O 3.31Å; I844-K968 WeakPolarHBondContact CA-O 3.42Å; L845-K968 PolarHBondContact N-O 2.81Å; L966-K968 PolarHBondContact O-N 3.22Å
969S88.4Confident86.5Confident65 Ų6555.6 Ų55.646%0.45529%0.288SS..EExtended strand (participates in β ladder)trans-103.4122170.160.20000109.8L845L845-S969 CarbonylContact O-C 3.58Å; L845-S969 VanDerWaalsContact O-CA 3.29Å; L845-S969 WeakPolarHBondContact O-CA 3.31Å
970L89.6Confident86.6Confident8 Ų856.2 Ų56.24%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-107115.8-178.7-64.4-176.1000109.7V815 Q818 L819 I844 L845 L846 Y847V815-L970 HydrophobicContact CG1-CB 4.19Å; V815-L970 HydrophobicContact CG1-CD1 4.12Å; Q818-L970 HydrophobicContact CB-CD2 4.26Å; L819-L970 HydrophobicContact CB-CD1 4.35Å; L819-L970 HydrophobicContact CD1-CD1 4.05Å; I844-L970 HydrophobicContact CG2-CD1 3.59Å; I844-L970 HydrophobicContact CG2-CG 3.78Å; L845-L970 PolarHBondContact O-N 2.9Å; L846-L970 WeakPolarHBondContact CA-O 3.36Å; L846-L970 HydrophobicContact CD2-CB 3.65Å; L846-L970 HydrophobicContact CD2-CD1 4.03Å; L846-L970 HydrophobicContact CD2-CG 4.46Å; L846-L970 HydrophobicContact CG-CB 4.29Å; Y847-L970 WeakPolarHBondContact CD1-O 3.4Å; Y847-L970 PolarHBondContact N-O 3.35Å
971Y89.4Confident86.8Confident76 Ų7657 Ų5730%0.29829%0.293SS..EExtended strand (participates in β ladder)trans-79.5124.4175.4179-129.2000110.5V815 Y847 P973 Y1217V815-Y971 VanDerWaalsContact CG2-O 3.24Å; V815-Y971 WeakPolarHBondContact CG2-O 3.45Å; Y847-Y971 AromaticContact CD2-CD2 3.85Å; Y847-Y971 HydrophobicContact CD2-CD2 3.85Å; Y847-Y971 AromaticContact CE2-CD2 3.45Å; Y847-Y971 HydrophobicContact CE2-CD2 3.45Å; Y847-Y971 VanDerWaalsContact CE2-CD2 3.45Å; Y847-Y971 HydrophobicContact CE2-CE2 4.36Å; Y847-Y971 HydrophobicContact CE2-CG 4.02Å; Y847-Y971 WeakPolarHBondContact O-CA 3.48Å; Y971-P973 HydrophobicContact CD1-CB 4.29Å; Y971-P973 HydrophobicContact CE1-CB 3.76Å; Y971-P973 WeakPolarHBondContact O-CD 3.35Å; Y971-Y1217 HydrophobicContact CD2-CG 4.44Å; Y971-Y1217 AromaticContact CE2-CD2 3.72Å; Y971-Y1217 HydrophobicContact CE2-CD2 3.72Å; Y971-Y1217 AromaticContact CE2-CG 3.7Å; Y971-Y1217 HydrophobicContact CE2-CG 3.7Å
972C88.9Confident86.9Confident0 Ų058.7 Ų58.70%030%0.299CS..EExtended strand (participates in β ladder)trans-95.896.1170.5-65.30000108.8L812 Y847 K854L812-C972 HydrophobicContact CD2-CB 4.41Å; Y847-C972 PolarHBondContact O-N 3.42Å; K854-C972 HydrophobicContact CG-CB 4.26Å
973P86Confident87Confident48 Ų4852.5 Ų52.531%0.31228%0.278SS..PPolyproline II helixtrans-64.1154.9177.228.1-36000110.7L812 Y971L812-P973 HydrophobicContact CD2-CG 4Å; Y971-P973 HydrophobicContact CD1-CB 4.29Å; Y971-P973 HydrophobicContact CE1-CB 3.76Å; Y971-P973 WeakPolarHBondContact O-CD 3.35Å
974P84.4Confident87.4Confident24 Ų2446.6 Ų46.616%0.15624%0.239CC..PPolyproline II helixtrans-61.3154.4167.127-33.5000111.7D976 W1210P974-D976 PolarHBondContact O-N 2.81Å; P974-W1210 HydrophobicContact CB-CH2 3.09Å; P974-W1210 HydrophobicContact CB-CZ2 3.08Å; P974-W1210 HydrophobicContact CB-CZ3 4.16Å; P974-W1210 HydrophobicContact CG-CH2 3.86Å; P974-W1210 HydrophobicContact CG-CZ2 3.28Å
975P88.3Confident87.9Confident19 Ų1951.6 Ų51.612%0.12326%0.258CS..PPolyproline II helixtrans-74124-171.930-35.7000113A979 R980 I983 F1009P975-A979 HydrophobicContact CB-CB 4.08Å; P975-R980 HydrophobicContact CB-CG 3.85Å; P975-R980 HydrophobicContact CG-CG 4.02Å; P975-R980 PolarHBondContact O-NH1 2.96Å; P975-I983 HydrophobicContact CB-CD1 3.67Å; P975-I983 HydrophobicContact CG-CD1 4.34Å; P975-F1009 WeakPolarHBondContact CG-O 3.35Å
976D88.2Confident88Confident118 Ų11850.8 Ų50.863%0.63126%0.259SS*.PPolyproline II helixtrans-66170.8168.8-67.6-37.3000112.4P974 E978 A979 R980P974-D976 PolarHBondContact O-N 2.81Å; D976-E978 VanDerWaalsContact C-N 3.3Å; D976-E978 PolarHBondContact O-N 3.07Å; D976-A979 HydrophobicContact CB-CB 4.44Å; D976-A979 PolarHBondContact O-N 3.39Å; D976-R980 WeakPolarHBondContact O-CB 3.49Å; D976-R980 VanDerWaalsContact O-CG 3.31Å; D976-R980 WeakPolarHBondContact O-CG 3.34Å; D976-R980 PolarHBondContact O-N 3.41Å
977Q88.6Confident88Confident105 Ų10553.2 Ų53.249%0.49127%0.272SS..Hα-helixtrans-58.1-43.2180-173.2176.65.300112.2R980 V981 A1003Q977-R980 PolarHBondContact O-N 3.2Å; Q977-V981 WeakPolarHBondContact O-CG2 3.4Å; Q977-V981 PolarHBondContact O-N 3.24Å; Q977-V981 VanDerWaalsContact O-N 3.1Å; Q977-A1003 HydrophobicContact CG-CB 4.44Å
978E89.8Confident88.2Confident158 Ų15851.5 Ų51.574%0.73826%0.264SS*.Hα-helixtrans-63.4-47.4176.3-62.5-177.9176.600111D976 R980 V981 E982D976-E978 VanDerWaalsContact C-N 3.3Å; D976-E978 PolarHBondContact O-N 3.07Å; E978-R980 VanDerWaalsContact C-N 3.32Å; E978-R980 PolarHBondContact O-N 2.81Å; E978-V981 WeakPolarHBondContact O-CB 3.49Å; E978-V981 PolarHBondContact O-N 2.93Å; E978-V981 VanDerWaalsContact O-N 3.12Å; E978-E982 PolarHBondContact O-N 3.26Å
979A88.6Confident87.9Confident17 Ų1751.2 Ų51.214%0.1427%0.273CS..Hα-helixtrans-60.4-38.3175.800000112.4P975 D976 E982 I983P975-A979 HydrophobicContact CB-CB 4.08Å; D976-A979 HydrophobicContact CB-CB 4.44Å; D976-A979 PolarHBondContact O-N 3.39Å; A979-E982 PolarHBondContact O-N 3.06Å; A979-I983 WeakPolarHBondContact O-CB 3.44Å; A979-I983 WeakPolarHBondContact O-CD1 3.49Å; A979-I983 WeakPolarHBondContact O-CG1 3.35Å; A979-I983 PolarHBondContact O-N 2.89Å
980R90.3Very high87.3Confident23 Ų2351.1 Ų51.19%0.08728%0.282CS..Hα-helixtrans-64.3-39.3175.3-72-167.4-58.2-84.85.9111.9P975 D976 Q977 E978 E982 I983 L984 A1003 T1006 L1014P975-R980 HydrophobicContact CB-CG 3.85Å; P975-R980 HydrophobicContact CG-CG 4.02Å; P975-R980 PolarHBondContact O-NH1 2.96Å; D976-R980 WeakPolarHBondContact O-CB 3.49Å; D976-R980 VanDerWaalsContact O-CG 3.31Å; D976-R980 WeakPolarHBondContact O-CG 3.34Å; D976-R980 PolarHBondContact O-N 3.41Å; Q977-R980 PolarHBondContact O-N 3.2Å; E978-R980 VanDerWaalsContact C-N 3.32Å; E978-R980 PolarHBondContact O-N 2.81Å; R980-E982 VanDerWaalsContact C-N 3.34Å; R980-I983 PolarHBondContact O-N 3.28Å; R980-L984 VanDerWaalsContact O-CB 3.32Å; R980-L984 WeakPolarHBondContact O-CB 3.5Å; R980-L984 VanDerWaalsContact O-CG 3.25Å; R980-L984 WeakPolarHBondContact O-CG 3.43Å; R980-L984 PolarHBondContact O-N 2.83Å; R980-A1003 HydrophobicContact CB-CB 4.06Å; R980-A1003 PolarHBondContact NE-O 3.35Å; R980-A1003 PolarHBondContact NH2-O 3.29Å; R980-T1006 WeakPolarHBondContact CD-O 3.45Å; R980-T1006 PolarHBondContact NE-O 3.36Å; R980-L1014 HydrophobicContact CB-CD1 4.11Å; R980-L1014 HydrophobicContact CG-CD1 3.96Å
981V91Very high87Confident17 Ų1753.1 Ų53.110%0.10329%0.292CS..Hα-helixtrans-62.1-44.1174.1173.20000110.4Q977 E978 L984 K985 Q1000 A1003Q977-V981 WeakPolarHBondContact O-CG2 3.4Å; Q977-V981 PolarHBondContact O-N 3.24Å; Q977-V981 VanDerWaalsContact O-N 3.1Å; E978-V981 WeakPolarHBondContact O-CB 3.49Å; E978-V981 PolarHBondContact O-N 2.93Å; E978-V981 VanDerWaalsContact O-N 3.12Å; V981-L984 PolarHBondContact O-N 2.82Å; V981-K985 HydrophobicContact CG1-CD 4.1Å; V981-K985 HydrophobicContact CG1-CG 4.47Å; V981-K985 WeakPolarHBondContact O-CB 3.41Å; V981-K985 VanDerWaalsContact O-CG 3.26Å; V981-K985 WeakPolarHBondContact O-CG 3.29Å; V981-K985 PolarHBondContact O-N 3.07Å; V981-Q1000 HydrophobicContact CG2-CG 4.44Å; V981-A1003 HydrophobicContact CG2-CB 3.44Å; V981-A1003 VanDerWaalsContact CG2-CB 3.44Å
982E89.8Confident86.6Confident88 Ų8852.7 Ų52.741%0.41130%0.301SS..Hα-helixtrans-64-43.6176.6-68.2-179.317900112.7G811 E978 A979 R980 K985 A986G811-E982 WeakPolarHBondContact CA-OE2 3.44Å; G811-E982 PolarHBondContact N-OE2 3.35Å; E978-E982 PolarHBondContact O-N 3.26Å; A979-E982 PolarHBondContact O-N 3.06Å; R980-E982 VanDerWaalsContact C-N 3.34Å; E982-K985 PolarHBondContact O-N 2.71Å; E982-A986 WeakPolarHBondContact O-CB 3.49Å; E982-A986 PolarHBondContact O-N 3.29Å
983I89.9Confident86.3Confident25 Ų2555.1 Ų55.113%0.12831%0.313CS..Hα-helixtrans-61.2-46.6176-69.4162.8000110.1G810 P975 A979 R980 K985 A986 L987 L1014G810-I983 VanDerWaalsContact O-CG1 3.3Å; G810-I983 WeakPolarHBondContact O-CG1 3.17Å; P975-I983 HydrophobicContact CB-CD1 3.67Å; P975-I983 HydrophobicContact CG-CD1 4.34Å; A979-I983 WeakPolarHBondContact O-CB 3.44Å; A979-I983 WeakPolarHBondContact O-CD1 3.49Å; A979-I983 WeakPolarHBondContact O-CG1 3.35Å; A979-I983 PolarHBondContact O-N 2.89Å; R980-I983 PolarHBondContact O-N 3.28Å; I983-K985 PolarHBondContact O-N 2.99Å; I983-A986 PolarHBondContact O-N 3.37Å; I983-L987 HydrophobicContact CG2-CD1 3.76Å; I983-L987 HydrophobicContact CG2-CG 4.3Å; I983-L987 WeakPolarHBondContact O-CB 3.24Å; I983-L987 VanDerWaalsContact O-CG 3.26Å; I983-L987 WeakPolarHBondContact O-CG 3.43Å; I983-L987 PolarHBondContact O-N 3.23Å; I983-L1014 HydrophobicContact CB-CD1 4.36Å; I983-L1014 HydrophobicContact CG2-CD1 3.94Å
984L89.3Confident86.1Confident0 Ų053.6 Ų53.60%031%0.305CS..Hα-helixtrans-62.4-43.1177.1-76.3169.8000111.6R980 V981 A986 L987 S988 L999 L1002 A1003 L1014 L1018R980-L984 VanDerWaalsContact O-CB 3.32Å; R980-L984 WeakPolarHBondContact O-CB 3.5Å; R980-L984 VanDerWaalsContact O-CG 3.25Å; R980-L984 WeakPolarHBondContact O-CG 3.43Å; R980-L984 PolarHBondContact O-N 2.83Å; V981-L984 PolarHBondContact O-N 2.82Å; L984-A986 PolarHBondContact O-N 3.37Å; L984-L987 PolarHBondContact O-N 2.9Å; L984-S988 WeakPolarHBondContact O-CB 3.13Å; L984-S988 PolarHBondContact O-N 2.99Å; L984-S988 PolarHBondContact O-OG 3.23Å; L984-L999 HydrophobicContact CB-CD2 4.36Å; L984-L1002 HydrophobicContact CD1-CB 4.26Å; L984-L1002 HydrophobicContact CD1-CD2 3.96Å; L984-L1002 HydrophobicContact CD1-CG 4.03Å; L984-L1002 HydrophobicContact CD2-CD2 4Å; L984-A1003 HydrophobicContact CD1-CB 4.2Å; L984-L1014 HydrophobicContact CD2-CB 4.24Å; L984-L1014 HydrophobicContact CD2-CD2 4.2Å; L984-L1014 HydrophobicContact CG-CD1 4.35Å; L984-L1014 HydrophobicContact CG-CD2 4.46Å; L984-L1018 HydrophobicContact CD2-CD1 4.14Å; L984-L1018 HydrophobicContact CD2-CG 4.37Å
985K88.9Confident85.8Confident116 Ų11659.3 Ų59.350%0.50434%0.342SS..Hα-helixtrans-58.1-48.7173.9-77.4173.1179.4176.70111.2V981 E982 I983 S988 S989 L999V981-K985 HydrophobicContact CG1-CD 4.1Å; V981-K985 HydrophobicContact CG1-CG 4.47Å; V981-K985 WeakPolarHBondContact O-CB 3.41Å; V981-K985 VanDerWaalsContact O-CG 3.26Å; V981-K985 WeakPolarHBondContact O-CG 3.29Å; V981-K985 PolarHBondContact O-N 3.07Å; E982-K985 PolarHBondContact O-N 2.71Å; I983-K985 PolarHBondContact O-N 2.99Å; K985-S988 WeakPolarHBondContact CA-OG 3.37Å; K985-S988 PolarHBondContact O-N 3.34Å; K985-S988 PolarHBondContact O-OG 3.04Å; K985-S989 PolarHBondContact O-N 3.13Å; K985-S989 VanDerWaalsContact O-N 3.11Å; K985-L999 HydrophobicContact CG-CD1 3.75Å
986A87.4Confident85.6Confident18 Ų1862.2 Ų62.215%0.14936%0.356CS..Hα-helixtrans-62.5-44.9-18000000112.4R808 E982 I983 L984 S988 S989R808-A986 WeakPolarHBondContact O-CB 2.96Å; E982-A986 WeakPolarHBondContact O-CB 3.49Å; E982-A986 PolarHBondContact O-N 3.29Å; I983-A986 PolarHBondContact O-N 3.37Å; L984-A986 PolarHBondContact O-N 3.37Å; A986-S988 VanDerWaalsContact C-N 3.35Å; A986-S989 WeakPolarHBondContact O-CB 3.35Å; A986-S989 PolarHBondContact O-N 3.47Å; A986-S989 PolarHBondContact O-OG 3.19Å
987L86Confident85.3Confident55 Ų5557.6 Ų57.629%0.28833%0.332SS..Hα-helixtrans-67.2-35176.7-68173.2000112.3I983 L984 S989 L1014 K1015 L1018I983-L987 HydrophobicContact CG2-CD1 3.76Å; I983-L987 HydrophobicContact CG2-CG 4.3Å; I983-L987 WeakPolarHBondContact O-CB 3.24Å; I983-L987 VanDerWaalsContact O-CG 3.26Å; I983-L987 WeakPolarHBondContact O-CG 3.43Å; I983-L987 PolarHBondContact O-N 3.23Å; L984-L987 PolarHBondContact O-N 2.9Å; L987-S989 VanDerWaalsContact C-N 3.31Å; L987-S989 PolarHBondContact O-N 2.83Å; L987-L1014 HydrophobicContact CD1-CB 4.37Å; L987-K1015 HydrophobicContact CD1-CB 4.04Å; L987-K1015 HydrophobicContact CD2-CB 4.42Å; L987-K1015 HydrophobicContact CD2-CG 4.32Å; L987-L1018 HydrophobicContact CB-CD1 3.58Å; L987-L1018 HydrophobicContact CD1-CD1 4.19Å
988S83.6Confident85.1Confident16 Ų1655.1 Ų55.111%0.11232%0.322CS..Hα-helixtrans-75.2-15.6178.969.90000114.3L984 K985 A986 G990 L991L984-S988 WeakPolarHBondContact O-CB 3.13Å; L984-S988 PolarHBondContact O-N 2.99Å; L984-S988 PolarHBondContact O-OG 3.23Å; K985-S988 WeakPolarHBondContact CA-OG 3.37Å; K985-S988 PolarHBondContact O-N 3.34Å; K985-S988 PolarHBondContact O-OG 3.04Å; A986-S988 VanDerWaalsContact C-N 3.35Å; S988-G990 PolarHBondContact O-N 2.95Å; S988-G990 VanDerWaalsContact O-N 3.07Å; S988-L991 PolarHBondContact O-N 3.41Å; S988-L991 VanDerWaalsContact O-O 3.07Å
989S80.5Confident85Confident80 Ų8048.8 Ų48.856%0.55929%0.294SS*.THydrogen-bonded Turntrans-58.9-23.1179.266.90000113.9K985 A986 L987K985-S989 PolarHBondContact O-N 3.13Å; K985-S989 VanDerWaalsContact O-N 3.11Å; A986-S989 WeakPolarHBondContact O-CB 3.35Å; A986-S989 PolarHBondContact O-N 3.47Å; A986-S989 PolarHBondContact O-OG 3.19Å; L987-S989 VanDerWaalsContact C-N 3.31Å; L987-S989 PolarHBondContact O-N 2.83Å
990G75.9Confident85Confident63 Ų6354 Ų5465%0.64932%0.315SS*.THydrogen-bonded Turntrans-92.5-1.2174.100000114.8S988S988-G990 PolarHBondContact O-N 2.95Å; S988-G990 VanDerWaalsContact O-N 3.07Å
991L81.6Confident84.8Confident50 Ų5058.6 Ų58.626%0.26234%0.337SS..SBendtrans-121.2143.5-170.5-55.5178.8000111.9S988 L993 L1018 L1189S988-L991 PolarHBondContact O-N 3.41Å; S988-L991 VanDerWaalsContact O-O 3.07Å; L991-L993 PolarHBondContact O-N 2.97Å; L991-L1018 HydrophobicContact CD1-CB 4.29Å; L991-L1018 HydrophobicContact CD1-CD1 4.45Å; L991-L1189 HydrophobicContact CB-CD1 4.41Å; L991-L1189 HydrophobicContact CD1-CD1 4.15Å
992S81.1Confident84.6Confident67 Ų6757.9 Ų57.947%0.46933%0.333SS..  trans-86.297.1173.8-62.50000109.9L1189S992-L1189 PolarHBondContact O-N 2.84Å; S992-L1189 VanDerWaalsContact O-N 3.11Å
993L82.7Confident84.5Confident51 Ų5153.7 Ų53.727%0.26731%0.313SS..BIsolated β-bridgetrans-84.2139.7175.4-66.5173.2000110.8L991 V997 L999 L1189L991-L993 PolarHBondContact O-N 2.97Å; L993-V997 HydrophobicContact CD2-CG1 4.33Å; L993-L999 HydrophobicContact CD1-CD2 4.11Å; L993-L1189 HydrophobicContact CD2-CB 3.95Å; L993-L1189 HydrophobicContact CD2-CD1 4.44Å
994A83.1Confident84.4Confident16 Ų1654.3 Ų54.313%0.13232%0.322CS..  trans-76.6155.1170.500000110.8D996 V997 L1189A994-D996 WeakPolarHBondContact CB-OD1 3.37Å; A994-D996 PolarHBondContact O-N 2.75Å; A994-D996 VanDerWaalsContact O-N 3.11Å; A994-V997 PolarHBondContact O-N 3.24Å; A994-L1189 VanDerWaalsContact CB-O 3.32Å; A994-L1189 WeakPolarHBondContact CB-O 3.49Å; A994-L1189 PolarHBondContact N-O 2.95Å
995P78.1Confident84.3Confident143 Ų14359.2 Ų59.293%0.92935%0.352SS*.THydrogen-bonded Turntrans-69.1-7.4-173.528.6-36.5000114.2V997P995-V997 VanDerWaalsContact C-N 3.33Å
996D83.4Confident84.1Confident81 Ų8153.7 Ų53.743%0.43333%0.328SS..THydrogen-bonded Turntrans-80-11.2175.162.5-36.2000113.5A994 Q1191A994-D996 WeakPolarHBondContact CB-OD1 3.37Å; A994-D996 PolarHBondContact O-N 2.75Å; A994-D996 VanDerWaalsContact O-N 3.11Å; D996-Q1191 HydrophobicContact CB-CB 4.49Å; D996-Q1191 WeakPolarHBondContact OD2-CB 3.34Å; D996-Q1191 PolarHBondContact OD2-N 3.49Å
997V80.9Confident83.6Confident20 Ų2059.3 Ų59.312%0.12135%0.351CS..  trans-90.4114-176.8-179.50000111.4L993 A994 P995 L999 L1189 Q1191 I1194L993-V997 HydrophobicContact CD2-CG1 4.33Å; A994-V997 PolarHBondContact O-N 3.24Å; P995-V997 VanDerWaalsContact C-N 3.33Å; V997-L999 HydrophobicContact CG1-CD2 4.28Å; V997-L1189 WeakPolarHBondContact CG2-O 3.44Å; V997-Q1191 HydrophobicContact CG2-CB 4.43Å; V997-I1194 HydrophobicContact CB-CD1 4.32Å; V997-I1194 HydrophobicContact CG1-CD1 3.48Å; V997-I1194 VanDerWaalsContact CG1-CD1 3.48Å; V997-I1194 HydrophobicContact CG2-CD1 3.81Å
998D86.3Confident83.4Confident54 Ų5460.1 Ų60.129%0.28935%0.353SS..  trans-100.7111.2171.6-174.61000111.7Q1000 Q1001 L1002D998-Q1000 VanDerWaalsContact C-N 3.28Å; D998-Q1000 PolarHBondContact O-N 3.02Å; D998-Q1000 WeakPolarHBondContact OD1-CB 3.12Å; D998-Q1000 PolarHBondContact OD1-N 3.34Å; D998-Q1001 HydrophobicContact CB-CB 4.24Å; D998-Q1001 HydrophobicContact CB-CG 4.19Å; D998-Q1001 PolarHBondContact O-N 3.39Å; D998-Q1001 VanDerWaalsContact OD2-CG 3.29Å; D998-Q1001 WeakPolarHBondContact OD2-CG 3.46Å; D998-Q1001 PolarHBondContact OD2-NE2 3.09Å; D998-L1002 PolarHBondContact O-N 3.39Å; D998-L1002 VanDerWaalsContact O-N 3.15Å
999L87.1Confident83.5Confident25 Ų2560.2 Ų60.213%0.13135%0.352CS..Hα-helixtrans-66.6-26.2179.7-60-180000113.1L984 K985 L993 V997 A1003L984-L999 HydrophobicContact CB-CD2 4.36Å; K985-L999 HydrophobicContact CG-CD1 3.75Å; L993-L999 HydrophobicContact CD1-CD2 4.11Å; V997-L999 HydrophobicContact CG1-CD2 4.28Å; L999-A1003 WeakPolarHBondContact O-CB 3.5Å; L999-A1003 PolarHBondContact O-N 3.08Å
1000Q88.3Confident83.9Confident127 Ų12756.5 Ų56.559%0.59333%0.326SS*.Hα-helixtrans-71.6-41.6178.5-67.1-177-14.300111.3V981 D998 A1003 A1004V981-Q1000 HydrophobicContact CG2-CG 4.44Å; D998-Q1000 VanDerWaalsContact C-N 3.28Å; D998-Q1000 PolarHBondContact O-N 3.02Å; D998-Q1000 WeakPolarHBondContact OD1-CB 3.12Å; D998-Q1000 PolarHBondContact OD1-N 3.34Å; Q1000-A1003 PolarHBondContact O-N 2.84Å; Q1000-A1004 PolarHBondContact O-N 3.14Å
1001Q85.6Confident84.5Confident119 Ų11954.3 Ų54.356%0.55630%0.303SS*.Hα-helixtrans-65.4-42.1174.6-71.1173.434.100111.1D998 A1003 A1004 V1005D998-Q1001 HydrophobicContact CB-CB 4.24Å; D998-Q1001 HydrophobicContact CB-CG 4.19Å; D998-Q1001 PolarHBondContact O-N 3.39Å; D998-Q1001 VanDerWaalsContact OD2-CG 3.29Å; D998-Q1001 WeakPolarHBondContact OD2-CG 3.46Å; D998-Q1001 PolarHBondContact OD2-NE2 3.09Å; Q1001-A1003 VanDerWaalsContact C-N 3.34Å; Q1001-A1003 PolarHBondContact O-N 3.09Å; Q1001-A1004 WeakPolarHBondContact O-CB 3.36Å; Q1001-A1004 PolarHBondContact O-N 3.31Å; Q1001-A1004 VanDerWaalsContact O-N 3.15Å; Q1001-V1005 WeakPolarHBondContact O-CG2 3.24Å; Q1001-V1005 PolarHBondContact O-N 3.48Å
1002L86.8Confident84.8Confident2 Ų254.3 Ų54.31%0.0131%0.31CS..Hα-helixtrans-58.6-46.5176.3-174.459.1000111.5L984 D998 A1004 V1005 T1006 L1017 I1194 L1198L984-L1002 HydrophobicContact CD1-CB 4.26Å; L984-L1002 HydrophobicContact CD1-CD2 3.96Å; L984-L1002 HydrophobicContact CD1-CG 4.03Å; L984-L1002 HydrophobicContact CD2-CD2 4Å; D998-L1002 PolarHBondContact O-N 3.39Å; D998-L1002 VanDerWaalsContact O-N 3.15Å; L1002-A1004 PolarHBondContact O-N 3.16Å; L1002-V1005 PolarHBondContact O-N 2.89Å; L1002-V1005 VanDerWaalsContact O-N 3.17Å; L1002-T1006 HydrophobicContact CD1-CG2 4.07Å; L1002-T1006 HydrophobicContact CG-CG2 4.4Å; L1002-T1006 WeakPolarHBondContact O-CG2 3.48Å; L1002-T1006 PolarHBondContact O-N 2.97Å; L1002-T1006 PolarHBondContact O-OG1 3.18Å; L1002-T1006 VanDerWaalsContact O-OG1 3.12Å; L1002-L1017 HydrophobicContact CD1-CD2 4.12Å; L1002-L1017 HydrophobicContact CD2-CD2 3.99Å; L1002-L1017 HydrophobicContact CG-CD2 4.46Å; L1002-I1194 HydrophobicContact CD1-CG2 3.68Å; L1002-I1194 HydrophobicContact CD2-CG2 4.13Å; L1002-L1198 HydrophobicContact CD1-CD1 3.82Å; L1002-L1198 HydrophobicContact CD1-CD2 4.29Å; L1002-L1198 HydrophobicContact CD1-CG 4.33Å
1003A88.4Confident85.2Confident0 Ų051.5 Ų51.50%029%0.29CS..Hα-helixtrans-63.6-27.4178.100000114Q977 R980 V981 L984 L999 Q1000 Q1001Q977-A1003 HydrophobicContact CG-CB 4.44Å; R980-A1003 HydrophobicContact CB-CB 4.06Å; R980-A1003 PolarHBondContact NE-O 3.35Å; R980-A1003 PolarHBondContact NH2-O 3.29Å; V981-A1003 HydrophobicContact CG2-CB 3.44Å; V981-A1003 VanDerWaalsContact CG2-CB 3.44Å; L984-A1003 HydrophobicContact CD1-CB 4.2Å; L999-A1003 WeakPolarHBondContact O-CB 3.5Å; L999-A1003 PolarHBondContact O-N 3.08Å; Q1000-A1003 PolarHBondContact O-N 2.84Å; Q1001-A1003 VanDerWaalsContact C-N 3.34Å; Q1001-A1003 PolarHBondContact O-N 3.09Å
1004A88.4Confident85.5Confident38 Ų3849.1 Ų49.131%0.31428%0.278SS..Hα-helixtrans-73.8-34.817600000112.3Q1000 Q1001 L1002 Q1007Q1000-A1004 PolarHBondContact O-N 3.14Å; Q1001-A1004 WeakPolarHBondContact O-CB 3.36Å; Q1001-A1004 PolarHBondContact O-N 3.31Å; Q1001-A1004 VanDerWaalsContact O-N 3.15Å; L1002-A1004 PolarHBondContact O-N 3.16Å; A1004-Q1007 WeakPolarHBondContact O-CG 3.29Å; A1004-Q1007 PolarHBondContact O-NE2 2.93Å
1005V85.9Confident85.8Confident102 Ų10254.8 Ų54.862%0.61830%0.299SS*.Hα-helixtrans-79.4-36.3179.6177.70000111.6Q1001 L1002 Q1007 L1198Q1001-V1005 WeakPolarHBondContact O-CG2 3.24Å; Q1001-V1005 PolarHBondContact O-N 3.48Å; L1002-V1005 PolarHBondContact O-N 2.89Å; L1002-V1005 VanDerWaalsContact O-N 3.17Å; V1005-Q1007 PolarHBondContact O-N 3.01Å; V1005-L1198 HydrophobicContact CG1-CD1 4.43Å
1006T84.1Confident86.3Confident0 Ų050 Ų500%027%0.272CS..  trans-83.255.7-179.2630000112.3R980 L1002 F1009 L1014 L1017 L1198R980-T1006 WeakPolarHBondContact CD-O 3.45Å; R980-T1006 PolarHBondContact NE-O 3.36Å; L1002-T1006 HydrophobicContact CD1-CG2 4.07Å; L1002-T1006 HydrophobicContact CG-CG2 4.4Å; L1002-T1006 WeakPolarHBondContact O-CG2 3.48Å; L1002-T1006 PolarHBondContact O-N 2.97Å; L1002-T1006 PolarHBondContact O-OG1 3.18Å; L1002-T1006 VanDerWaalsContact O-OG1 3.12Å; T1006-F1009 HydrophobicContact CG2-CD1 4.24Å; T1006-F1009 HydrophobicContact CG2-CD2 4.5Å; T1006-F1009 HydrophobicContact CG2-CE1 4.42Å; T1006-F1009 HydrophobicContact CG2-CG 4.29Å; T1006-L1014 HydrophobicContact CG2-CD2 4.11Å; T1006-L1017 HydrophobicContact CG2-CD1 4.42Å; T1006-L1198 HydrophobicContact CG2-CD2 3.8Å
1007Q78.9Confident86.6Confident136 Ų13646.1 Ų46.164%0.63625%0.251SS*.THydrogen-bonded Turntrans-67.1137.9173.6-60.6-175.85.400109.7A1004 V1005 F1009A1004-Q1007 WeakPolarHBondContact O-CG 3.29Å; A1004-Q1007 PolarHBondContact O-NE2 2.93Å; V1005-Q1007 PolarHBondContact O-N 3.01Å; Q1007-F1009 WeakPolarHBondContact O-CD2 3.42Å; Q1007-F1009 PolarHBondContact O-N 3.26Å
1008Q81.4Confident87Confident72 Ų7245.5 Ų45.534%0.33625%0.247SC..THydrogen-bonded Turntrans69.64.8-178.7-51.1173.4-25.900116.1
1009F85.8Confident87.1Confident18 Ų1849 Ų498%0.07926%0.257CS..  trans-73.8131.3173.1-80.6-124.8000110P975 T1006 Q1007 D1013 L1014 L1017 P1203P975-F1009 WeakPolarHBondContact CG-O 3.35Å; T1006-F1009 HydrophobicContact CG2-CD1 4.24Å; T1006-F1009 HydrophobicContact CG2-CD2 4.5Å; T1006-F1009 HydrophobicContact CG2-CE1 4.42Å; T1006-F1009 HydrophobicContact CG2-CG 4.29Å; Q1007-F1009 WeakPolarHBondContact O-CD2 3.42Å; Q1007-F1009 PolarHBondContact O-N 3.26Å; F1009-D1013 HydrophobicContact CB-CB 4.02Å; F1009-D1013 HydrophobicContact CD1-CB 3.62Å; F1009-D1013 HydrophobicContact CE1-CB 4.42Å; F1009-D1013 HydrophobicContact CG-CB 4.08Å; F1009-L1014 HydrophobicContact CB-CD2 3.87Å; F1009-L1014 HydrophobicContact CB-CG 4.12Å; F1009-L1014 HydrophobicContact CD1-CD2 4.3Å; F1009-L1014 HydrophobicContact CG-CD2 4.43Å; F1009-L1017 HydrophobicContact CE1-CD1 4.05Å; F1009-P1203 HydrophobicContact CD2-CB 4.25Å; F1009-P1203 HydrophobicContact CE2-CB 4.16Å; F1009-P1203 HydrophobicContact CE2-CG 4.47Å
1010T88.1Confident87.3Confident2 Ų250.1 Ų50.11%0.01226%0.263CS..  trans-80.7169.1172.167.20000111.1A1012 D1013 L1014 L1205 W1210T1010-A1012 PolarHBondContact O-N 3.42Å; T1010-D1013 WeakPolarHBondContact CB-OD2 3.24Å; T1010-D1013 PolarHBondContact N-OD2 2.86Å; T1010-D1013 WeakPolarHBondContact O-CB 3.48Å; T1010-D1013 PolarHBondContact O-N 3.48Å; T1010-D1013 PolarHBondContact OG1-N 3.07Å; T1010-D1013 PolarHBondContact OG1-OD2 3.49Å; T1010-L1014 WeakPolarHBondContact O-CG 3.43Å; T1010-L1014 PolarHBondContact O-N 2.95Å; T1010-L1205 HydrophobicContact CG2-CD1 4.15Å; T1010-W1210 HydrophobicContact CG2-CZ3 4.32Å
1011G87.8Confident87.3Confident18 Ų1844 Ų4419%0.18624%0.235CC..Hα-helixtrans-59.3-34.2176.500000112.9G851 K1015G851-G1011 PolarHBondContact O-N 3.1Å; G851-G1011 VanDerWaalsContact O-N 3.17Å; G1011-K1015 PolarHBondContact O-N 3.44Å; G1011-K1015 VanDerWaalsContact O-N 3.09Å
1012A87.9Confident87.5Confident49 Ų4941.3 Ų41.341%0.40522%0.222SC..Hα-helixtrans-66.7-40.8172.800000112.4G851 T1010 K1015 A1016G851-A1012 PolarHBondContact O-N 3.33Å; G851-A1012 VanDerWaalsContact O-N 3.07Å; T1010-A1012 PolarHBondContact O-N 3.42Å; A1012-K1015 WeakPolarHBondContact O-CB 3.38Å; A1012-K1015 PolarHBondContact O-N 3.35Å; A1012-A1016 WeakPolarHBondContact O-CB 3.39Å; A1012-A1016 PolarHBondContact O-N 3.44Å
1013D90.1Very high87.5Confident9 Ų944.2 Ų44.25%0.04824%0.237CC..Hα-helixtrans-65.4-41.6177.1-59.1-43.2000111.7F1009 T1010 K1015 A1016 L1017 S1204F1009-D1013 HydrophobicContact CB-CB 4.02Å; F1009-D1013 HydrophobicContact CD1-CB 3.62Å; F1009-D1013 HydrophobicContact CE1-CB 4.42Å; F1009-D1013 HydrophobicContact CG-CB 4.08Å; T1010-D1013 WeakPolarHBondContact CB-OD2 3.24Å; T1010-D1013 PolarHBondContact N-OD2 2.86Å; T1010-D1013 WeakPolarHBondContact O-CB 3.48Å; T1010-D1013 PolarHBondContact O-N 3.48Å; T1010-D1013 PolarHBondContact OG1-N 3.07Å; T1010-D1013 PolarHBondContact OG1-OD2 3.49Å; D1013-K1015 VanDerWaalsContact C-N 3.3Å; D1013-K1015 PolarHBondContact O-N 2.84Å; D1013-A1016 PolarHBondContact O-N 2.88Å; D1013-L1017 WeakPolarHBondContact O-CB 3.46Å; D1013-L1017 PolarHBondContact O-N 2.82Å; D1013-S1204 WeakPolarHBondContact OD1-CB 3.33Å; D1013-S1204 PolarHBondContact OD1-N 3.45Å; D1013-S1204 PolarHBondContact OD1-OG 2.84Å
1014L89.2Confident87.4Confident0 Ų046.9 Ų46.90%025%0.25CC..Hα-helixtrans-64.1-36.4175.7-65.6174.7000111.8R980 I983 L984 L987 T1006 F1009 T1010 L1017 L1018R980-L1014 HydrophobicContact CB-CD1 4.11Å; R980-L1014 HydrophobicContact CG-CD1 3.96Å; I983-L1014 HydrophobicContact CB-CD1 4.36Å; I983-L1014 HydrophobicContact CG2-CD1 3.94Å; L984-L1014 HydrophobicContact CD2-CB 4.24Å; L984-L1014 HydrophobicContact CD2-CD2 4.2Å; L984-L1014 HydrophobicContact CG-CD1 4.35Å; L984-L1014 HydrophobicContact CG-CD2 4.46Å; L987-L1014 HydrophobicContact CD1-CB 4.37Å; T1006-L1014 HydrophobicContact CG2-CD2 4.11Å; F1009-L1014 HydrophobicContact CB-CD2 3.87Å; F1009-L1014 HydrophobicContact CB-CG 4.12Å; F1009-L1014 HydrophobicContact CD1-CD2 4.3Å; F1009-L1014 HydrophobicContact CG-CD2 4.43Å; T1010-L1014 WeakPolarHBondContact O-CG 3.43Å; T1010-L1014 PolarHBondContact O-N 2.95Å; L1014-L1017 WeakPolarHBondContact O-CB 3.4Å; L1014-L1017 PolarHBondContact O-N 3.49Å; L1014-L1018 WeakPolarHBondContact O-CG 3.43Å; L1014-L1018 PolarHBondContact O-N 2.93Å; L1014-L1018 VanDerWaalsContact O-N 3.1Å
1015K89Confident87.3Confident135 Ų13545.2 Ų45.259%0.58724%0.236SC*.Hα-helixtrans-66.5-44.2173-173.9-178.5178.2-175.10111.5L987 G1011 A1012 D1013 L1017 L1018 Y1019L987-K1015 HydrophobicContact CD1-CB 4.04Å; L987-K1015 HydrophobicContact CD2-CB 4.42Å; L987-K1015 HydrophobicContact CD2-CG 4.32Å; G1011-K1015 PolarHBondContact O-N 3.44Å; G1011-K1015 VanDerWaalsContact O-N 3.09Å; A1012-K1015 WeakPolarHBondContact O-CB 3.38Å; A1012-K1015 PolarHBondContact O-N 3.35Å; D1013-K1015 VanDerWaalsContact C-N 3.3Å; D1013-K1015 PolarHBondContact O-N 2.84Å; K1015-L1017 VanDerWaalsContact C-N 3.28Å; K1015-L1017 PolarHBondContact O-N 2.82Å; K1015-L1018 PolarHBondContact O-N 3.27Å; K1015-Y1019 WeakPolarHBondContact O-CB 3.44Å; K1015-Y1019 PolarHBondContact O-N 2.93Å
1016A89.1Confident87.3Confident43 Ų4343.1 Ų43.136%0.35522%0.223SC..Hα-helixtrans-62.6-37.517600000111.7A1012 D1013 Y1019 N1020A1012-A1016 WeakPolarHBondContact O-CB 3.39Å; A1012-A1016 PolarHBondContact O-N 3.44Å; D1013-A1016 PolarHBondContact O-N 2.88Å; A1016-Y1019 PolarHBondContact O-N 3.15Å; A1016-N1020 WeakPolarHBondContact O-CB 3.34Å; A1016-N1020 VanDerWaalsContact O-CG 3.29Å; A1016-N1020 PolarHBondContact O-N 3.21Å
1017L90.1Very high87.3Confident0 Ų048.9 Ų48.90%025%0.25CS..Hα-helixtrans-60.1-50.6174.3-177.7120000112.5L1002 T1006 F1009 D1013 L1014 K1015 Y1019 N1020 A1021 I1194 L1198 T1201L1002-L1017 HydrophobicContact CD1-CD2 4.12Å; L1002-L1017 HydrophobicContact CD2-CD2 3.99Å; L1002-L1017 HydrophobicContact CG-CD2 4.46Å; T1006-L1017 HydrophobicContact CG2-CD1 4.42Å; F1009-L1017 HydrophobicContact CE1-CD1 4.05Å; D1013-L1017 WeakPolarHBondContact O-CB 3.46Å; D1013-L1017 PolarHBondContact O-N 2.82Å; L1014-L1017 WeakPolarHBondContact O-CB 3.4Å; L1014-L1017 PolarHBondContact O-N 3.49Å; K1015-L1017 VanDerWaalsContact C-N 3.28Å; K1015-L1017 PolarHBondContact O-N 2.82Å; L1017-Y1019 VanDerWaalsContact C-N 3.29Å; L1017-Y1019 PolarHBondContact O-N 2.87Å; L1017-N1020 PolarHBondContact O-N 2.87Å; L1017-A1021 WeakPolarHBondContact O-CB 3.46Å; L1017-A1021 PolarHBondContact O-N 3.3Å; L1017-I1194 HydrophobicContact CD2-CG2 4.36Å; L1017-L1198 HydrophobicContact CD1-CD2 3.29Å; L1017-L1198 HydrophobicContact CD1-CG 3.74Å; L1017-T1201 HydrophobicContact CB-CG2 4.45Å; L1017-T1201 WeakPolarHBondContact CD1-OG1 3.46Å
1018L89.1Confident87.2Confident6 Ų646.3 Ų46.33%0.03124%0.24CC..Hα-helixtrans-64-37.3177.4-69.6175.3000111.7L984 L987 L991 L1014 K1015 A1021 Q1022L984-L1018 HydrophobicContact CD2-CD1 4.14Å; L984-L1018 HydrophobicContact CD2-CG 4.37Å; L987-L1018 HydrophobicContact CB-CD1 3.58Å; L987-L1018 HydrophobicContact CD1-CD1 4.19Å; L991-L1018 HydrophobicContact CD1-CB 4.29Å; L991-L1018 HydrophobicContact CD1-CD1 4.45Å; L1014-L1018 WeakPolarHBondContact O-CG 3.43Å; L1014-L1018 PolarHBondContact O-N 2.93Å; L1014-L1018 VanDerWaalsContact O-N 3.1Å; K1015-L1018 PolarHBondContact O-N 3.27Å; L1018-A1021 PolarHBondContact O-N 3.34Å; L1018-Q1022 WeakPolarHBondContact O-CG 3.44Å; L1018-Q1022 PolarHBondContact O-N 3.4Å
1019Y89Confident86.7Confident129 Ų12946.2 Ų46.251%0.50625%0.248SC..Hα-helixtrans-64.4-46175.3179.4-103.7000112.2K1015 A1016 L1017 A1021 Q1022 L1023K1015-Y1019 WeakPolarHBondContact O-CB 3.44Å; K1015-Y1019 PolarHBondContact O-N 2.93Å; A1016-Y1019 PolarHBondContact O-N 3.15Å; L1017-Y1019 VanDerWaalsContact C-N 3.29Å; L1017-Y1019 PolarHBondContact O-N 2.87Å; Y1019-A1021 VanDerWaalsContact C-N 3.3Å; Y1019-A1021 PolarHBondContact O-N 3.35Å; Y1019-Q1022 WeakPolarHBondContact O-CB 3.32Å; Y1019-Q1022 PolarHBondContact O-N 2.89Å; Y1019-Q1022 VanDerWaalsContact O-N 3.08Å; Y1019-L1023 HydrophobicContact CD1-CD1 3.99Å; Y1019-L1023 HydrophobicContact CD1-CG 4.42Å; Y1019-L1023 HydrophobicContact CE1-CD1 3.47Å; Y1019-L1023 VanDerWaalsContact CE1-CD1 3.47Å; Y1019-L1023 HydrophobicContact CE1-CG 4.04Å; Y1019-L1023 PolarHBondContact O-N 3.04Å
1020N90.1Very high85.8Confident47 Ų4749.4 Ų49.425%0.25127%0.272SS..Hα-helixtrans-63.2-38.6175.7-72.6-8.3000111.4A1016 L1017 Q1022 L1023 E1024 A1197 T1201A1016-N1020 WeakPolarHBondContact O-CB 3.34Å; A1016-N1020 VanDerWaalsContact O-CG 3.29Å; A1016-N1020 PolarHBondContact O-N 3.21Å; L1017-N1020 PolarHBondContact O-N 2.87Å; N1020-Q1022 VanDerWaalsContact C-N 3.28Å; N1020-Q1022 PolarHBondContact O-N 2.87Å; N1020-L1023 PolarHBondContact O-N 3.39Å; N1020-E1024 WeakPolarHBondContact O-CG 3.36Å; N1020-E1024 PolarHBondContact O-N 2.81Å; N1020-A1197 HydrophobicContact CB-CB 3.96Å; N1020-T1201 HydrophobicContact CB-CG2 4.35Å; N1020-T1201 WeakPolarHBondContact ND2-CG2 3.34Å
1021A88.9Confident84.2Confident0 Ų051.9 Ų51.90%030%0.299CS..Hα-helixtrans-63.7-33.6174.500000112.2L1017 L1018 Y1019 A1025 L1189 I1194 A1197L1017-A1021 WeakPolarHBondContact O-CB 3.46Å; L1017-A1021 PolarHBondContact O-N 3.3Å; L1018-A1021 PolarHBondContact O-N 3.34Å; Y1019-A1021 VanDerWaalsContact C-N 3.3Å; Y1019-A1021 PolarHBondContact O-N 3.35Å; A1021-A1025 WeakPolarHBondContact O-CB 3.37Å; A1021-A1025 PolarHBondContact O-N 2.67Å; A1021-L1189 HydrophobicContact CB-CD2 3.39Å; A1021-L1189 WeakPolarHBondContact O-CD2 3.49Å; A1021-I1194 HydrophobicContact CB-CG1 3.96Å; A1021-A1197 HydrophobicContact CB-CB 3.85Å
1022Q88.5Confident82.4Confident61 Ų6157.5 Ų57.529%0.28533%0.329SS..Hα-helixtrans-67.3-43.8171.5-68.7163.81600111.7L1018 Y1019 N1020 E1024 A1025 V1026 L1189L1018-Q1022 WeakPolarHBondContact O-CG 3.44Å; L1018-Q1022 PolarHBondContact O-N 3.4Å; Y1019-Q1022 WeakPolarHBondContact O-CB 3.32Å; Y1019-Q1022 PolarHBondContact O-N 2.89Å; Y1019-Q1022 VanDerWaalsContact O-N 3.08Å; N1020-Q1022 VanDerWaalsContact C-N 3.28Å; N1020-Q1022 PolarHBondContact O-N 2.87Å; Q1022-E1024 VanDerWaalsContact C-N 3.32Å; Q1022-E1024 PolarHBondContact O-N 3.29Å; Q1022-A1025 WeakPolarHBondContact O-CB 3.49Å; Q1022-A1025 PolarHBondContact O-N 3.17Å; Q1022-A1025 VanDerWaalsContact O-N 3.13Å; Q1022-V1026 WeakPolarHBondContact O-CG2 3.38Å; Q1022-V1026 PolarHBondContact O-N 3.12Å; Q1022-L1189 HydrophobicContact CG-CD1 3.8Å
1023L87.9Confident80.4Confident64 Ų6458 Ų5834%0.33534%0.339SS..Hα-helixtrans-59.5-44.7176.7-69.7177.9000111.1Y1019 N1020 A1025 V1026 H1027Y1019-L1023 HydrophobicContact CD1-CD1 3.99Å; Y1019-L1023 HydrophobicContact CD1-CG 4.42Å; Y1019-L1023 HydrophobicContact CE1-CD1 3.47Å; Y1019-L1023 VanDerWaalsContact CE1-CD1 3.47Å; Y1019-L1023 HydrophobicContact CE1-CG 4.04Å; Y1019-L1023 PolarHBondContact O-N 3.04Å; N1020-L1023 PolarHBondContact O-N 3.39Å; L1023-A1025 VanDerWaalsContact C-N 3.32Å; L1023-A1025 PolarHBondContact O-N 3.19Å; L1023-V1026 WeakPolarHBondContact O-CB 3.19Å; L1023-V1026 PolarHBondContact O-N 3.01Å; L1023-V1026 VanDerWaalsContact O-N 3.15Å; L1023-H1027 PolarHBondContact O-CD2 2.84Å; L1023-H1027 PolarHBondContact O-N 2.81Å
1024E86Confident78Confident56 Ų5664 Ų6426%0.26238%0.376SS..Hα-helixtrans-60-41173.6-70.3-69.6130.400111.8N1020 Q1022 V1026 H1027 N1028 H1193 S1196N1020-E1024 WeakPolarHBondContact O-CG 3.36Å; N1020-E1024 PolarHBondContact O-N 2.81Å; Q1022-E1024 VanDerWaalsContact C-N 3.32Å; Q1022-E1024 PolarHBondContact O-N 3.29Å; E1024-V1026 VanDerWaalsContact C-N 3.33Å; E1024-V1026 PolarHBondContact O-N 3.28Å; E1024-H1027 PolarHBondContact O-N 3.49Å; E1024-N1028 WeakPolarHBondContact O-CB 3.31Å; E1024-N1028 VanDerWaalsContact O-CG 3.3Å; E1024-N1028 PolarHBondContact O-N 2.97Å; E1024-N1028 PolarHBondContact O-ND2 3.32Å; E1024-H1193 HydrophobicContact CB-CB 4.36Å; E1024-S1196 PolarHBondContact OE2-OG 2.97Å
1025A85.9Confident75.5Confident3 Ų369.5 Ų69.53%0.02541%0.414CS..Hα-helixtrans-62.5-40.6174.600000112A1021 Q1022 L1023 N1028 S1029 L1187 H1193A1021-A1025 WeakPolarHBondContact O-CB 3.37Å; A1021-A1025 PolarHBondContact O-N 2.67Å; Q1022-A1025 WeakPolarHBondContact O-CB 3.49Å; Q1022-A1025 PolarHBondContact O-N 3.17Å; Q1022-A1025 VanDerWaalsContact O-N 3.13Å; L1023-A1025 VanDerWaalsContact C-N 3.32Å; L1023-A1025 PolarHBondContact O-N 3.19Å; A1025-N1028 PolarHBondContact O-N 3.02Å; A1025-S1029 WeakPolarHBondContact O-CB 3.42Å; A1025-S1029 PolarHBondContact O-N 3.11Å; A1025-S1029 PolarHBondContact O-OG 3.32Å; A1025-L1187 HydrophobicContact CB-CD2 4.03Å; A1025-L1187 WeakPolarHBondContact O-CD2 3.39Å; A1025-H1193 VanDerWaalsContact CB-ND1 3.34Å; A1025-H1193 WeakPolarHBondContact CB-ND1 3.26Å
1026V86.2Confident72.9Confident58 Ų5870.7 Ų70.735%0.35243%0.427SS..Hα-helixtrans-65.4-45.5176.3172.40000110.6Q1022 L1023 E1024 N1028 S1029 S1030 L1187Q1022-V1026 WeakPolarHBondContact O-CG2 3.38Å; Q1022-V1026 PolarHBondContact O-N 3.12Å; L1023-V1026 WeakPolarHBondContact O-CB 3.19Å; L1023-V1026 PolarHBondContact O-N 3.01Å; L1023-V1026 VanDerWaalsContact O-N 3.15Å; E1024-V1026 VanDerWaalsContact C-N 3.33Å; E1024-V1026 PolarHBondContact O-N 3.28Å; V1026-N1028 PolarHBondContact O-N 3.01Å; V1026-S1029 WeakPolarHBondContact CA-OG 3.43Å; V1026-S1029 PolarHBondContact O-N 3.36Å; V1026-S1029 PolarHBondContact O-OG 2.9Å; V1026-S1030 WeakPolarHBondContact O-CB 3.32Å; V1026-S1030 PolarHBondContact O-N 3.27Å; V1026-S1030 PolarHBondContact O-OG 3.16Å; V1026-L1187 HydrophobicContact CG2-CD1 3.72Å; V1026-L1187 HydrophobicContact CG2-CD2 3.98Å
1027H83.3Confident70.2Confident121 Ų12177.6 Ų77.656%0.5645%0.452SS*.Hα-helixtrans-61.4-42.6176.8-77.7-63.4000112.1L1023 E1024 S1030 G1031L1023-H1027 PolarHBondContact O-CD2 2.84Å; L1023-H1027 PolarHBondContact O-N 2.81Å; E1024-H1027 PolarHBondContact O-N 3.49Å; H1027-S1030 PolarHBondContact O-N 2.87Å; H1027-G1031 PolarHBondContact O-N 3.07Å
1028N78.3Confident68.1Low81 Ų8185.6 Ų85.643%0.43349%0.494SS..Hα-helixtrans-69.3-36.5177-71.2-22.5000112.4E1024 A1025 V1026 S1030 G1031 V1032 H1193E1024-N1028 WeakPolarHBondContact O-CB 3.31Å; E1024-N1028 VanDerWaalsContact O-CG 3.3Å; E1024-N1028 PolarHBondContact O-N 2.97Å; E1024-N1028 PolarHBondContact O-ND2 3.32Å; A1025-N1028 PolarHBondContact O-N 3.02Å; V1026-N1028 PolarHBondContact O-N 3.01Å; N1028-S1030 VanDerWaalsContact C-N 3.34Å; N1028-G1031 PolarHBondContact O-N 2.87Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.39Å; N1028-H1193 PolarHBondContact ND2-CD2 3.15Å; N1028-H1193 PolarHBondContact ND2-NE2 3.18Å
1029S70.6Confident65.4Low70 Ų7091.7 Ų91.749%0.4953%0.532SS..Hα-helixtrans-68.3-32.8173.771.90000112.8A1025 V1026A1025-S1029 WeakPolarHBondContact O-CB 3.42Å; A1025-S1029 PolarHBondContact O-N 3.11Å; A1025-S1029 PolarHBondContact O-OG 3.32Å; V1026-S1029 WeakPolarHBondContact CA-OG 3.43Å; V1026-S1029 PolarHBondContact O-N 3.36Å; V1026-S1029 PolarHBondContact O-OG 2.9Å
1030S65.7Low63Low85 Ų8591.2 Ų91.259%0.59455%0.547SS*.Hα-helixtrans-80.9-24.8177.3-57.20000112.7V1026 H1027 N1028 V1032V1026-S1030 WeakPolarHBondContact O-CB 3.32Å; V1026-S1030 PolarHBondContact O-N 3.27Å; V1026-S1030 PolarHBondContact O-OG 3.16Å; H1027-S1030 PolarHBondContact O-N 2.87Å; N1028-S1030 VanDerWaalsContact C-N 3.34Å; S1030-V1032 VanDerWaalsContact C-N 3.34Å
1031G55.1Low60.1Low55 Ų5592.9 Ų92.957%0.56757%0.568SS**Hα-helixtrans-76.9-13178.800000114.8H1027 N1028 G1033H1027-G1031 PolarHBondContact O-N 3.07Å; N1028-G1031 PolarHBondContact O-N 2.87Å; G1031-G1033 PolarHBondContact O-N 3.34Å; G1031-G1033 VanDerWaalsContact O-N 3.15Å
1032V51.3Low57.4Low136 Ų13697.9 Ų97.982%0.82460%0.602SS**THydrogen-bonded Turntrans-87.938.1176-174.50000110.8N1028 S1030N1028-V1032 WeakPolarHBondContact O-CG2 3.39Å; S1030-V1032 VanDerWaalsContact C-N 3.34Å
1033G45.6Very low55.4Low60 Ų60102.5 Ų102.562%0.61963%0.629SS**THydrogen-bonded Turntrans-115.9-15.9-179.100000115.8G1031G1031-G1033 PolarHBondContact O-N 3.34Å; G1031-G1033 VanDerWaalsContact O-N 3.15Å
1034T39.3Very low52.8Low135 Ų135106 Ų10683%0.82865%0.653SS**  trans-150.3102.8-178.739.50000112.3
1035S35.8Very low50.9Low114 Ų114111.3 Ų111.380%0.79768%0.684SS**  trans-129.8101.5157.751.80000110.2
1036N34.6Very low48.6Very low160 Ų160119 Ų11986%0.85672%0.721SS**  trans167.4115.2154.2-91.1-5.5000104.7
1037E33Very low46.4Very low189 Ų189120.9 Ų120.988%0.88374%0.737SS**  cis-149.5160.738.1-77.6175128.200112.1
1038L46.6Very low44.1Very low167 Ų167121.9 Ų121.987%0.87475%0.745SS**  trans-63.8137.5170.5-68.191000112.2
1039T31.7Very low41.8Very low134 Ų134123.9 Ų123.982%0.82277%0.766SS**  -169117.5117.147.10000111.3
1040S38.7Very low40.1Very low119 Ų119125 Ų12583%0.83277%0.773SS**  trans33.9110.2131.8-173.50000119.2
1041A29.2Very low38.5Very low83 Ų83129.1 Ų129.169%0.68679%0.785SS**  163.3128.4112.700000112.9
1042S33Very low37.5Very low104 Ų104133.7 Ų133.773%0.72780%0.795SS**  trans55.6115.6143.560.70000121.4
1043D45.8Very low36.6Very low158 Ų158136 Ų13685%0.84580%0.795SS**  28.9103.4127-64-20.2000117.6
1044T34.1Very low35.9Very low138 Ų138138.1 Ų138.185%0.84780%0.798SS**  -146.2119.3126.841.90000110.2M1046T1044-M1046 PolarHBondContact O-N 3.3Å; T1044-M1046 VanDerWaalsContact O-N 3.14Å
1045D46.1Very low35.4Very low168 Ų168138.6 Ų138.690%0.89880%0.795SS**  trans-47.1113.3157-77.1-47.4000109.7
1046M35.9Very low35.1Very low165 Ų165139.7 Ų139.781%0.81380%0.797SS**  trans-102.598.2159.9-160.6135.383.400108T1044 L1048T1044-M1046 PolarHBondContact O-N 3.3Å; T1044-M1046 VanDerWaalsContact O-N 3.14Å; M1046-L1048 PolarHBondContact O-N 3.23Å
1047S41.8Very low35Very low97 Ų97135.9 Ų135.968%0.67878%0.783SS**  trans-49.9107.6172.1-730000110.9
1048L34.8Very low35.5Very low141 Ų141132.5 Ų132.574%0.73878%0.78SS**  trans-96.615.9171.6-68.4177.8000113M1046 S1050M1046-L1048 PolarHBondContact O-N 3.23Å; L1048-S1050 PolarHBondContact O-N 3.33Å
1049S30.1Very low34.5Very low124 Ų124128.1 Ų128.187%0.86778%0.776SS**THydrogen-bonded Turntrans-72.721.1176.4-54.10000114.5
1050S34.8Very low34.5Very low92 Ų92127.4 Ų127.464%0.64378%0.776SS**THydrogen-bonded Turntrans-140.737.7-177.660.60000114.1L1048 I1052L1048-S1050 PolarHBondContact O-N 3.33Å; S1050-I1052 PolarHBondContact O-N 2.87Å
1051M32.1Very low34Very low172 Ų172128.8 Ų128.885%0.84777%0.774SS**  trans-9184.9149-77.2-165.3-169.100108.7F1053M1051-F1053 PolarHBondContact O-N 3.46Å
1052I33.9Very low33.9Very low152 Ų152133.3 Ų133.378%0.77979%0.787SS**PPolyproline II helixtrans-59.5120.9162.1-66.9167000106.5S1050 P1054S1050-I1052 PolarHBondContact O-N 2.87Å; I1052-P1054 VanDerWaalsContact O-CD 3.22Å; I1052-P1054 WeakPolarHBondContact O-CD 3.37Å
1053F31.9Very low33.8Very low185 Ų185133.3 Ų133.381%0.81179%0.787SS**PPolyproline II helixtrans-53.6119167.6-69.9-90.6000110M1051M1051-F1053 PolarHBondContact O-N 3.46Å
1054P29.9Very low33.1Very low104 Ų104132.7 Ų132.768%0.67579%0.789SS**PPolyproline II helixtrans-80.4117.4148.821-5.7000106.7I1052 T1056I1052-P1054 VanDerWaalsContact O-CD 3.22Å; I1052-P1054 WeakPolarHBondContact O-CD 3.37Å; P1054-T1056 VanDerWaalsContact C-N 3.31Å; P1054-T1056 PolarHBondContact O-N 2.79Å
1055N29.8Very low32.7Very low144 Ų144129.5 Ų129.577%0.7778%0.783SS**  trans-54.8100.7157.9-75.6-29.1000107.8S1057N1055-S1057 PolarHBondContact O-N 2.87Å
1056T30.2Very low31.9Very low138 Ų138131.5 Ų131.585%0.84779%0.787SS**  trans-77.474161.248.20000108P1054P1054-T1056 VanDerWaalsContact C-N 3.31Å; P1054-T1056 PolarHBondContact O-N 2.79Å
1057S32.4Very low31.5Very low79 Ų79127 Ų12755%0.55278%0.782SS**  trans-138.845.2157.572.70000110.3K873 N1055K873-S1057 PolarHBondContact NZ-O 3.2Å; K873-S1057 VanDerWaalsContact NZ-O 3.16Å; N1055-S1057 PolarHBondContact O-N 2.87Å
1058S42.9Very low30.7Very low118 Ų118131.6 Ų131.683%0.82579%0.793SS**  trans-162109.7161.4-148.80000108.7
1059G26Very low30.6Very low76 Ų76134.1 Ų134.178%0.78480%0.801SS**  trans168.681.9-173.800000109.4D1061G1059-D1061 PolarHBondContact O-N 3.17Å
1060S31.7Very low30.3Very low119 Ų119134 Ų13483%0.83280%0.8SS**  trans-58.4119.1170.749.70000111.8
1061D27Very low30Very low147 Ų147136.4 Ų136.479%0.78681%0.805SS**  trans-172.6116.5134.2-122.9-12.7000108.2G1059G1059-D1061 PolarHBondContact O-N 3.17Å
1062D27Very low29.7Very low178 Ų178132.7 Ų132.795%0.95280%0.802SS**  trans-156.793.4153.1-99.6-22000108
1063S32.2Very low29.5Very low105 Ų105132.1 Ų132.173%0.73480%0.8SS**  trans-117.4109.4167.1-165.50000108.6
1064V30.1Very low29.1Very low145 Ų145129.6 Ų129.688%0.87980%0.795SS**SBendtrans77.3113.9158.7-163.30000119.2
1065G27.2Very low28.7Very low70 Ų70132.3 Ų132.372%0.72280%0.798SS**  trans147.489.9141.800000114.1G1067G1065-G1067 PolarHBondContact O-N 3.43Å
1066E28.8Very low28.4Very low211 Ų211129.5 Ų129.599%0.98679%0.79SS**  trans-64.5133162.3-74.7-151159.900110.5
1067G26Very low28Very low70 Ų70130.6 Ų130.672%0.72279%0.79SS**  trans-172.387.5171.300000110.8G1065G1065-G1067 PolarHBondContact O-N 3.43Å
1068E25.1Very low27.5Very low193 Ų193133.5 Ų133.590%0.90280%0.804SS**  trans54.1124.8152.8-64.2-179.3159.600120.5
1069Q34.3Very low26.5Very low194 Ų194135.1 Ų135.191%0.90780%0.803SS**  trans-62.6131.4165.9-69.8170.5-0.600110.9
1070S22.2Very low26.2Very low122 Ų122138.1 Ų138.185%0.85381%0.805SS**  trans-154.7123157.2-75.90000111.1
1071L30.2Very low25.8Very low142 Ų142140.8 Ų140.874%0.74381%0.805SS**  trans-72.2131.4169.4-81.5142.6000110.5Q1184L1071-Q1184 HydrophobicContact CD1-CG 4.24Å; L1071-Q1184 HydrophobicContact CD2-CG 4.3Å
1072A25.1Very low25.6Very low95 Ų95138.4 Ų138.479%0.78581%0.806SS**  trans-159.1110152.400000110.7
1073L29.6Very low25.5Very low139 Ų139134.2 Ų134.273%0.72880%0.796SS**  trans-67.8139.1149.7-79.1148.4000107.5
1074D23.3Very low25Very low132 Ų132137.6 Ų137.671%0.70680%0.8SS**  162.7157.6100.4-1478.4000113.2
1075Q22.6Very low24.6Very low161 Ų161137.1 Ų137.175%0.75279%0.792SS**  trans73.9144.5159-71.4164.52900119.9
1076S21.6Very low24.4Very low86 Ų86142.6 Ų142.660%0.60180%0.798SS**  cis170.1140.4-27.748.70000104.5
1077L22.6Very low24.1Very low161 Ų161135.7 Ų135.784%0.84378%0.783SS**  trans61.3128.3157.4-82137.9000118.7
1078V21.7Very low23.9Very low139 Ų139140.7 Ų140.784%0.84279%0.788SS**  -164.2114.9111.6155.40000107.3
1079L22.3Very low23.8Very low153 Ų153137.6 Ų137.680%0.80177%0.773SS**  trans-109.3126.1151.4-110.4162.5000104.7
1080V20.5Very low23.4Very low138 Ų138135.7 Ų135.784%0.83676%0.764SS**  trans-179.8136.2134.2159.40000108.5
1081E22.2Very low23.6Very low175 Ų175135.6 Ų135.682%0.81875%0.75SS**  trans-75.3171.1-173.9-61.9168.4120.200115.5
1082A23.6Very low23.3Very low98 Ų98138.1 Ų138.181%0.8175%0.75SS**  trans90.9106.5133.700000120.7
1083A23.5Very low23.3Very low90 Ų90144.4 Ų144.474%0.74475%0.753SS**  -163112.1124.900000106.9
1084E23.2Very low23.1Very low175 Ų175142.3 Ų142.382%0.81875%0.751SS**  57.7135.289.8-67.7-16916700113.7
1085L21.8Very low23.2Very low135 Ų135143.3 Ų143.371%0.70776%0.756SS**  cis-175.3168.31.7-109.3168.5000108
1086H22.4Very low23.3Very low186 Ų186142 Ų14286%0.86176%0.758SS**  trans94.1117.5174.7-60.268000114.6
1087G22.6Very low23.5Very low65 Ų65148.8 Ų148.867%0.6777%0.771SS**  cis165.5139.91.900000108.4
1088E22.1Very low23.6Very low175 Ų175150.4 Ų150.482%0.81877%0.766SS**  trans71.3129.8145.8-65.7-176.3-167.400118.5
1089H23.3Very low23.7Very low129 Ų129152.7 Ų152.760%0.59777%0.765SS**  cis-160.8130.311.1-119.7-76.7000109.9
1090E24.8Very low23.8Very low153 Ų153154.2 Ų154.272%0.71576%0.761SS**  trans50.5151.3134.8-75.6175.8163.300123.8
1091E26.3Very low24.1Very low120 Ų120157.3 Ų157.356%0.56176%0.764SS**  cis-171.4134.2-28-113.7-163.6176.800107.3
1092R24.9Very low24.2Very low196 Ų196153 Ų15374%0.7477%0.766SS**  trans60.9129.5137-64.9178.4178.5152.8-5.6121.9
1093R24.9Very low24.3Very low226 Ų226153.1 Ų153.185%0.85376%0.761SS**  -178.8130.795.3-94.4175.9-174.31802.4112.7
1094S24.7Very low24.3Very low96 Ų96153.7 Ų153.767%0.67176%0.759SS**  trans8.4122.6146.457.60000118.5
1095N25.2Very low24.5Very low153 Ų153154 Ų15482%0.81876%0.758SS**  trans-124.4110149.5-77-29.5000110.1
1096V24.8Very low24.7Very low132 Ų132155.2 Ų155.280%0.876%0.76SS**  trans-59.5129.2162.1171.40000108.4R1098V1096-R1098 PolarHBondContact O-N 3.46Å
1097W26.2Very low25Very low230 Ų230150.5 Ų150.587%0.87175%0.749SS**  trans-81.7114.4168.6-67.995.1000109.3
1098R24.7Very low25.2Very low195 Ų195155.5 Ų155.574%0.73675%0.754SS**  trans-95106.9174.5-160.8178.4-152.8168.46.4108V1096 Y1100V1096-R1098 PolarHBondContact O-N 3.46Å; R1098-Y1100 HydrophobicContact CG-CE2 4.15Å
1099F23.1Very low25.5Very low187 Ų187153.5 Ų153.582%0.8275%0.754SS**  trans-72.9131.8167.6-72.4-80000109.7
1100Y25Very low25.5Very low185 Ų185150.6 Ų150.673%0.72576%0.76SS**  trans-104.9117.9164.1-82.1-86.8000109R1098R1098-Y1100 HydrophobicContact CG-CE2 4.15Å
1101F26.8Very low25.5Very low203 Ų203151.3 Ų151.389%0.8977%0.768SS**  trans-77.7134.7156.2-88.3-90.7000108.5
1102G24.5Very low25.5Very low83 Ų83150.5 Ų150.586%0.85678%0.776SS**  trans-131.795.3167.500000108.7
1103S24.7Very low26.5Very low102 Ų102146.3 Ų146.371%0.71377%0.774SS**  trans-92.5146.7174.460.60000111
1104S25.3Very low26.5Very low101 Ų101141.1 Ų141.171%0.70677%0.767SS**  trans94.2128.3138.8-52.90000120.1
1105F26.6Very low26.4Very low181 Ų181141.7 Ų141.779%0.79477%0.771SS**  trans70141.9137.9-101-123.3000116.4
1106E26.6Very low26.5Very low161 Ų161141.3 Ų141.375%0.75276%0.762SS**  cis-162.6174.929.4-154.8160.7-14100109.6
1107S28Very low26.5Very low88 Ų88141.5 Ų141.562%0.61575%0.754SS**  trans-74.6165.9-164.744.30000118.9
1108E27.3Very low26.3Very low169 Ų169138 Ų13879%0.7975%0.748SS**  trans71.7107.7138.7-85.1-178.5-163.900120.7
1109T27Very low26.3Very low133 Ų133133.1 Ų133.182%0.81674%0.744SS**  153133.8101.644.70000112.6
1110G24.9Very low26.4Very low69 Ų69131.9 Ų131.971%0.71174%0.744SS**  86.9116.1128.200000120.5
1111N25.1Very low26.4Very low167 Ų167128.5 Ų128.589%0.89375%0.747SS**  trans88.2101.6148.1-61.8-9.3000119.8
1112S25.6Very low26.3Very low103 Ų103123.2 Ų123.272%0.7274%0.74SS**  trans-54.1179141.256.80000113
1113P45.4Very low26.3Very low109 Ų109125.1 Ų125.171%0.70874%0.741SS**  cis-146.9-173-27.830.1-5.5000115.3
1114V25.6Very low26.3Very low117 Ų117123.9 Ų123.971%0.70974%0.744SS**  trans74.7122.4152.1-168.80000121.1
1115S22.7Very low26.7Very low107 Ų107124.5 Ų124.575%0.74875%0.746SS**  170.1114.1116.937.10000109.6
1116K26.2Very low26.6Very low146 Ų146123 Ų12364%0.63575%0.746SS**  87.112376.9-99.6177.2164.4-101.60112.8
1117E24.4Very low26.6Very low135 Ų135120.9 Ų120.963%0.63175%0.749SS**  trans70.1146136.2-70.3161.5-177.600116
1118E23.1Very low26.6Very low158 Ų158127.5 Ų127.574%0.73876%0.76SS**  cis-175.2148.327-132163.2-15500110.3
1119S24.8Very low26.6Very low92 Ų92126.6 Ų126.664%0.64376%0.761SS**  trans50118.5134.873.90000124.5
1120L25.1Very low27.2Very low160 Ų160125.7 Ų125.784%0.83876%0.757SS**  53.2127.5116.4-71154.7000122.7
1121C23.8Very low27.1Very low115 Ų115128.9 Ų128.978%0.77776%0.763SS**  trans93.1112134.9-72.30000121.4
1122A25.4Very low27.3Very low91 Ų91126.5 Ų126.575%0.75276%0.759SS**  99.2133.7122.300000120.7
1123S24Very low27.2Very low123 Ų123124.7 Ų124.786%0.8676%0.756SS**  trans85.1102.815073.40000118.6
1124G26.3Very low26.3Very low77 Ų77128.2 Ų128.279%0.79477%0.768SS**  trans-116.5133.7154.300000109.6
1125P32.7Very low26.4Very low113 Ų113126.8 Ų126.873%0.73477%0.769SS**  trans-105.8136.7169.834.1-24.7000113.1
1126N24.2Very low26.6Very low150 Ų150127.8 Ų127.880%0.80277%0.773SS**  trans56.7113.8137.7-66.4-21.8000122.3
1127S28.1Very low26.5Very low116 Ų116125.6 Ų125.681%0.81178%0.782SS**  -176.2100.9112.738.10000109.3
1128R26.3Very low26.7Very low227 Ų227129.9 Ų129.986%0.85779%0.794SS**  5588.298-75.6-169.4178.6176.30.7116.3
1129D27.4Very low26.7Very low151 Ų151131.1 Ų131.181%0.80780%0.802SS**  60.9156120.4-64.6-22.1000121.5
1130P39.9Very low26.9Very low113 Ų113132.3 Ų132.373%0.73481%0.808SS**  cis-142.3164.112.645.3-27.5000118.9
1131V23.9Very low27.1Very low137 Ų137129.7 Ų129.783%0.8380%0.803SS**  trans67.1105.5148.3-164.70000121
1132S27.6Very low27.5Very low117 Ų117131.9 Ų131.982%0.81881%0.805SS**  177.8125.598-170.60000109.5
1133G25Very low27.8Very low64 Ų64136.6 Ų136.666%0.6681%0.811SS**  trans-80150.4-166.800000115.4
1134L26.4Very low28Very low183 Ų183137.5 Ų137.596%0.95881%0.812SS**  179141.3107.8-93.6155.6000110.2
1135A26.2Very low28.1Very low87 Ų87136.9 Ų136.972%0.71981%0.806SS**PPolyproline II helixtrans-74.4159.1-17700000113.1
1136P26.9Very low28.1Very low129 Ų129143 Ų14384%0.83882%0.816SS**PPolyproline II helixtrans-79.1121.1175.131.8-29.9000109.9
1137A25.8Very low28.6Very low100 Ų100145.4 Ų145.483%0.82682%0.819SS**PPolyproline II helixtrans-92.2123.4170.100000109.7
1138Y26.9Very low29.2Very low224 Ų224148.9 Ų148.988%0.87882%0.823SS**  trans-36.4138.1156.6-90.3-112.5000112.5P1140Y1138-P1140 WeakPolarHBondContact O-CD 3.45Å
1139M24.1Very low30.2Very low185 Ų185142.6 Ų142.691%0.91181%0.806SS**PPolyproline II helixtrans-68.6124.6164.9-81.8177.977.400110
1140P29Very low32.1Very low116 Ų116137 Ų13775%0.75378%0.784SS**PPolyproline II helixtrans-93.2150.5159.434.1-23.8000110.3Y1138Y1138-P1140 WeakPolarHBondContact O-CD 3.45Å
1141S28.7Very low33.1Very low105 Ų105136.7 Ų136.773%0.73478%0.781SS**PPolyproline II helixtrans-64.9147168.935.20000112.8
1142I33.1Very low34.9Very low161 Ų161137.4 Ų137.483%0.82678%0.776SS**  trans54.998.2147.7-54.1163.6000116.8
1143Q32Very low36.3Very low190 Ų190137.1 Ų137.189%0.88876%0.762SS**  trans-170.499.9141-106.3177.618.500109.5
1144T27.5Very low38.3Very low142 Ų142138.1 Ų138.187%0.87175%0.751SS**  trans-147.8117.315449.80000105.1
1145G27.9Very low40.6Very low65 Ų65135.6 Ų135.667%0.6774%0.735SS**  cis75.99533.600000107.3K1147G1145-K1147 PolarHBondContact O-N 3.35Å
1146Y33.1Very low42.6Very low242 Ų242140.6 Ų140.695%0.94974%0.735SS**  trans-36.3116.7-178-75.4-95.5000112.6
1147K34.1Very low44.2Very low200 Ų200138.3 Ų138.387%0.8772%0.715SS**  trans-89.2107.4166.5-148176.9-173.3-179.20106.1G1145 L1149G1145-K1147 PolarHBondContact O-N 3.35Å; K1147-L1149 PolarHBondContact O-N 2.52Å
1148E40.6Very low46.1Very low188 Ų188139 Ų13988%0.87970%0.701SS**PPolyproline II helixtrans-55.6122.9173.2-77-179.1156.900108.9
1149L48.5Very low48.2Very low96 Ų96134.3 Ų134.350%0.50369%0.687SS.*PPolyproline II helixtrans-63.5133.9177.6-72.7161.2000108.8K1147 Q1153 L1157K1147-L1149 PolarHBondContact O-N 2.52Å; L1149-Q1153 HydrophobicContact CB-CB 4.43Å; L1149-Q1153 HydrophobicContact CD2-CB 4.27Å; L1149-Q1153 VanDerWaalsContact CD2-OE1 3.28Å; L1149-L1157 HydrophobicContact CD1-CD1 3.96Å
1150G66.9Low50.1Low33 Ų33129.6 Ų129.634%0.3467%0.666SS.*PPolyproline II helixtrans-60.2155.2175.900000111.9E1152 Q1153 L1154G1150-E1152 PolarHBondContact O-N 3.15Å; G1150-E1152 VanDerWaalsContact O-N 3.12Å; G1150-Q1153 PolarHBondContact O-N 3.32Å; G1150-L1154 PolarHBondContact O-N 2.64Å
1151P60.6Low52Low106 Ų106128.8 Ų128.869%0.68865%0.654SS**Hα-helixtrans-57.1-33-17421.2-32.2000113.2L1154 E1155P1151-L1154 PolarHBondContact O-N 3.33Å; P1151-E1155 PolarHBondContact O-N 2.84Å
1152E61.3Low53.9Low153 Ų153130.8 Ų130.872%0.71565%0.65SS**Hα-helixtrans-72.1-31.3177.7-61.1-176.7173.800113.5G1150 R1156G1150-E1152 PolarHBondContact O-N 3.15Å; G1150-E1152 VanDerWaalsContact O-N 3.12Å; E1152-R1156 PolarHBondContact O-N 2.96Å; E1152-R1156 VanDerWaalsContact O-N 3.12Å
1153Q57.7Low55.5Low111 Ų111127 Ų12752%0.51963%0.631SS.*Hα-helixtrans-76.7-32.7174.8-70.5-172-33.300111.1L1149 G1150 L1157L1149-Q1153 HydrophobicContact CB-CB 4.43Å; L1149-Q1153 HydrophobicContact CD2-CB 4.27Å; L1149-Q1153 VanDerWaalsContact CD2-OE1 3.28Å; G1150-Q1153 PolarHBondContact O-N 3.32Å; Q1153-L1157 WeakPolarHBondContact O-CB 3.24Å; Q1153-L1157 PolarHBondContact O-N 3Å
1154L68Low57.1Low85 Ų85123 Ų12345%0.44562%0.615SS.*Hα-helixtrans-67.3-41.3172.8-16081.9000111.4G1150 P1151 L1157 Q1158G1150-L1154 PolarHBondContact O-N 2.64Å; P1151-L1154 PolarHBondContact O-N 3.33Å; L1154-L1157 PolarHBondContact O-N 2.8Å; L1154-Q1158 WeakPolarHBondContact O-CB 3.35Å; L1154-Q1158 VanDerWaalsContact O-CG 3.25Å; L1154-Q1158 WeakPolarHBondContact O-CG 3.27Å; L1154-Q1158 PolarHBondContact O-N 2.86Å
1155E73.3Confident58.3Low130 Ų130123.4 Ų123.461%0.60761%0.605SS**Hα-helixtrans-65.1-42.1175.2-81.2-174.8164.400112.1P1151 Q1158 Q1159P1151-E1155 PolarHBondContact O-N 2.84Å; E1155-Q1158 PolarHBondContact O-N 3.16Å; E1155-Q1159 WeakPolarHBondContact O-CB 3.44Å; E1155-Q1159 PolarHBondContact O-N 3.4Å
1156R69.1Low59.4Low191 Ų191124.9 Ų124.972%0.72160%0.597SS**Hα-helixtrans-60.1-46.9173.5-97178.4173.9150.8-0.8112.4E1152 Q1158 Q1159 D1160E1152-R1156 PolarHBondContact O-N 2.96Å; E1152-R1156 VanDerWaalsContact O-N 3.12Å; R1156-Q1158 VanDerWaalsContact C-N 3.33Å; R1156-Q1158 PolarHBondContact O-N 3.15Å; R1156-Q1159 WeakPolarHBondContact O-CB 3.27Å; R1156-Q1159 PolarHBondContact O-N 3.01Å; R1156-D1160 VanDerWaalsContact O-CG 3.32Å; R1156-D1160 PolarHBondContact O-N 3.21Å
1157L61.1Low60.1Low81 Ų81117.2 Ų117.242%0.42458%0.579SS.*Hα-helixtrans-64.3-37.7176.5-88.6159.8000112.2L1149 Q1153 L1154 Q1159 D1160 I1161L1149-L1157 HydrophobicContact CD1-CD1 3.96Å; Q1153-L1157 WeakPolarHBondContact O-CB 3.24Å; Q1153-L1157 PolarHBondContact O-N 3Å; L1154-L1157 PolarHBondContact O-N 2.8Å; L1157-Q1159 VanDerWaalsContact C-N 3.33Å; L1157-D1160 PolarHBondContact O-N 3.46Å; L1157-I1161 WeakPolarHBondContact O-CB 3.36Å; L1157-I1161 WeakPolarHBondContact O-CD1 3.2Å; L1157-I1161 WeakPolarHBondContact O-CG1 3.49Å; L1157-I1161 PolarHBondContact O-N 3.1Å
1158Q65.1Low60.6Low115 Ų115116.6 Ų116.654%0.53757%0.572SS.*Hα-helixtrans-66.7-35.9174.5-77.4-179.6-2.200112.2L1154 E1155 R1156 K1162L1154-Q1158 WeakPolarHBondContact O-CB 3.35Å; L1154-Q1158 VanDerWaalsContact O-CG 3.25Å; L1154-Q1158 WeakPolarHBondContact O-CG 3.27Å; L1154-Q1158 PolarHBondContact O-N 2.86Å; E1155-Q1158 PolarHBondContact O-N 3.16Å; R1156-Q1158 VanDerWaalsContact C-N 3.33Å; R1156-Q1158 PolarHBondContact O-N 3.15Å; Q1158-K1162 WeakPolarHBondContact O-CB 3.37Å; Q1158-K1162 PolarHBondContact O-N 3.05Å
1159Q70.5Confident60.5Low125 Ų125117.6 Ų117.658%0.58457%0.568SS**Hα-helixtrans-65.4-46.4174.3-156.5103.6-5.600110.7E1155 R1156 L1157 K1162 N1163E1155-Q1159 WeakPolarHBondContact O-CB 3.44Å; E1155-Q1159 PolarHBondContact O-N 3.4Å; R1156-Q1159 WeakPolarHBondContact O-CB 3.27Å; R1156-Q1159 PolarHBondContact O-N 3.01Å; L1157-Q1159 VanDerWaalsContact C-N 3.33Å; Q1159-K1162 WeakPolarHBondContact O-CB 3.38Å; Q1159-K1162 PolarHBondContact O-N 3.49Å; Q1159-K1162 VanDerWaalsContact O-N 3.17Å; Q1159-N1163 PolarHBondContact O-N 3.48Å; Q1159-N1163 PolarHBondContact O-ND2 2.86Å
1160D63.6Low60.2Low86 Ų86121.9 Ų121.946%0.4658%0.583SS.*Hα-helixtrans-66.7-40.3179.6-69.9-19.5000111.4R1156 L1157 K1162 N1163 I1164R1156-D1160 VanDerWaalsContact O-CG 3.32Å; R1156-D1160 PolarHBondContact O-N 3.21Å; L1157-D1160 PolarHBondContact O-N 3.46Å; D1160-K1162 VanDerWaalsContact C-N 3.33Å; D1160-K1162 PolarHBondContact O-N 2.88Å; D1160-N1163 PolarHBondContact O-N 3.09Å; D1160-I1164 VanDerWaalsContact O-CG1 3.25Å; D1160-I1164 WeakPolarHBondContact O-CG1 3.38Å; D1160-I1164 PolarHBondContact O-N 2.86Å
1161I69.7Low58.8Low100 Ų100122.9 Ų122.951%0.51359%0.593SS.*Hα-helixtrans-63.9-39.5172.7-69.8165.9000110.7L1157 N1163 I1164 K1165L1157-I1161 WeakPolarHBondContact O-CB 3.36Å; L1157-I1161 WeakPolarHBondContact O-CD1 3.2Å; L1157-I1161 WeakPolarHBondContact O-CG1 3.49Å; L1157-I1161 PolarHBondContact O-N 3.1Å; I1161-N1163 VanDerWaalsContact C-N 3.31Å; I1161-N1163 PolarHBondContact O-N 2.8Å; I1161-I1164 PolarHBondContact O-N 2.91Å; I1161-K1165 WeakPolarHBondContact O-CB 3.48Å; I1161-K1165 PolarHBondContact O-N 3.37Å
1162K67.6Low57.5Low146 Ų146124.5 Ų124.564%0.63560%0.596SS**Hα-helixtrans-63.1-39174.6-119.4176.2179.7173.90111.8Q1158 Q1159 D1160 K1165 N1166Q1158-K1162 WeakPolarHBondContact O-CB 3.37Å; Q1158-K1162 PolarHBondContact O-N 3.05Å; Q1159-K1162 WeakPolarHBondContact O-CB 3.38Å; Q1159-K1162 PolarHBondContact O-N 3.49Å; Q1159-K1162 VanDerWaalsContact O-N 3.17Å; D1160-K1162 VanDerWaalsContact C-N 3.33Å; D1160-K1162 PolarHBondContact O-N 2.88Å; K1162-K1165 PolarHBondContact O-N 3.04Å; K1162-N1166 WeakPolarHBondContact O-CB 3.01Å; K1162-N1166 VanDerWaalsContact O-CG 3.25Å; K1162-N1166 PolarHBondContact O-N 3.14Å; K1162-N1166 PolarHBondContact O-ND2 3.15Å
1163N66.8Low56.2Low83 Ų83124.7 Ų124.744%0.44460%0.602SS.*Hα-helixtrans-67.6-47178.1-68-21.5000110.9Q1159 D1160 I1161 K1165 N1166 S1167Q1159-N1163 PolarHBondContact O-N 3.48Å; Q1159-N1163 PolarHBondContact O-ND2 2.86Å; D1160-N1163 PolarHBondContact O-N 3.09Å; I1161-N1163 VanDerWaalsContact C-N 3.31Å; I1161-N1163 PolarHBondContact O-N 2.8Å; N1163-K1165 VanDerWaalsContact C-N 3.32Å; N1163-K1165 PolarHBondContact O-N 3.46Å; N1163-N1166 PolarHBondContact O-N 3.36Å; N1163-S1167 PolarHBondContact O-N 3.44Å; N1163-S1167 PolarHBondContact O-OG 2.9Å
1164I65.9Low55.1Low104 Ų104127.8 Ų127.853%0.53362%0.616SS.*Hα-helixtrans-61.3-41.5175.6-66.3164.1000110.8D1160 I1161 N1166 S1167 Y1168D1160-I1164 VanDerWaalsContact O-CG1 3.25Å; D1160-I1164 WeakPolarHBondContact O-CG1 3.38Å; D1160-I1164 PolarHBondContact O-N 2.86Å; I1161-I1164 PolarHBondContact O-N 2.91Å; I1164-N1166 VanDerWaalsContact C-N 3.34Å; I1164-N1166 PolarHBondContact O-N 3.29Å; I1164-S1167 PolarHBondContact O-N 3.28Å; I1164-Y1168 HydrophobicContact CG2-CD2 4.33Å; I1164-Y1168 PolarHBondContact O-N 2.88Å
1165K53.5Low53.1Low152 Ų152133.4 Ų133.466%0.66164%0.638SS**Hα-helixtrans-69.1-31.4179.3-153.9173.1-169.2176.30112.5I1161 K1162 N1163 R1169I1161-K1165 WeakPolarHBondContact O-CB 3.48Å; I1161-K1165 PolarHBondContact O-N 3.37Å; K1162-K1165 PolarHBondContact O-N 3.04Å; N1163-K1165 VanDerWaalsContact C-N 3.32Å; N1163-K1165 PolarHBondContact O-N 3.46Å; K1165-R1169 WeakPolarHBondContact O-CB 3.41Å; K1165-R1169 PolarHBondContact O-N 2.83Å; K1165-R1169 VanDerWaalsContact O-N 3.08Å
1166N49.5Very low51.1Low96 Ų96133.5 Ų133.551%0.51365%0.647SS.*Hα-helixtrans-73.7-35.3172.1-77.7-16.7000112.2K1162 N1163 I1164 R1169 K1170K1162-N1166 WeakPolarHBondContact O-CB 3.01Å; K1162-N1166 VanDerWaalsContact O-CG 3.25Å; K1162-N1166 PolarHBondContact O-N 3.14Å; K1162-N1166 PolarHBondContact O-ND2 3.15Å; N1163-N1166 PolarHBondContact O-N 3.36Å; I1164-N1166 VanDerWaalsContact C-N 3.34Å; I1164-N1166 PolarHBondContact O-N 3.29Å; N1166-R1169 PolarHBondContact O-N 3.31Å; N1166-K1170 PolarHBondContact O-N 2.83Å
1167S47.7Very low49Very low81 Ų81134.4 Ų134.457%0.56665%0.65SS**Hα-helixtrans-65.8-43.3173.4-57.70000111.4N1163 I1164 R1169 K1170 G1171N1163-S1167 PolarHBondContact O-N 3.44Å; N1163-S1167 PolarHBondContact O-OG 2.9Å; I1164-S1167 PolarHBondContact O-N 3.28Å; S1167-R1169 VanDerWaalsContact C-N 3.35Å; S1167-R1169 PolarHBondContact O-N 2.78Å; S1167-K1170 PolarHBondContact O-N 3.17Å; S1167-G1171 PolarHBondContact O-N 3.24Å
1168Y44.9Very low47.6Very low187 Ų187137.7 Ų137.773%0.73367%0.674SS**Hα-helixtrans-66.8-32.3174.8-104.2-93.6000113.4I1164 K1170 G1171I1164-Y1168 HydrophobicContact CG2-CD2 4.33Å; I1164-Y1168 PolarHBondContact O-N 2.88Å; Y1168-K1170 VanDerWaalsContact C-N 3.3Å; Y1168-K1170 PolarHBondContact O-N 3.42Å; Y1168-G1171 PolarHBondContact O-N 3.45Å
1169R40Very low45.5Very low209 Ų209142.3 Ų142.379%0.78969%0.686SS**Hα-helixtrans-69.7-25.4175.9-122.6-176.7-167.2-164.12.1113.4K1165 N1166 S1167K1165-R1169 WeakPolarHBondContact O-CB 3.41Å; K1165-R1169 PolarHBondContact O-N 2.83Å; K1165-R1169 VanDerWaalsContact O-N 3.08Å; N1166-R1169 PolarHBondContact O-N 3.31Å; S1167-R1169 VanDerWaalsContact C-N 3.35Å; S1167-R1169 PolarHBondContact O-N 2.78Å
1170K41.4Very low43.5Very low185 Ų185141.9 Ų141.980%0.80469%0.694SS**Hα-helixtrans-83-23.9175.7-83.1-175172.7-175.90113.3N1166 S1167 Y1168 N1172N1166-K1170 PolarHBondContact O-N 2.83Å; S1167-K1170 PolarHBondContact O-N 3.17Å; Y1168-K1170 VanDerWaalsContact C-N 3.3Å; Y1168-K1170 PolarHBondContact O-N 3.42Å; K1170-N1172 VanDerWaalsContact C-N 3.29Å; K1170-N1172 PolarHBondContact O-N 3.47Å
1171G38.2Very low42.2Very low54 Ų54143.1 Ų143.156%0.55772%0.716SS**THydrogen-bonded Turntrans-76.9-6.9179.100000115.4S1167 Y1168S1167-G1171 PolarHBondContact O-N 3.24Å; Y1168-G1171 PolarHBondContact O-N 3.45Å
1172N32.9Very low40.3Very low141 Ų141143.4 Ų143.475%0.75473%0.727SS**THydrogen-bonded Turntrans-1068.3-169.5-146.842.2000115.3K1170K1170-N1172 VanDerWaalsContact C-N 3.29Å; K1170-N1172 PolarHBondContact O-N 3.47Å
1173D32.8Very low38.8Very low157 Ų157141.7 Ų141.784%0.8473%0.734SS**SBendtrans-109.21.7176.5-90.3-17.9000114.1
1174E35.4Very low37.5Very low175 Ų175142.1 Ų142.182%0.81873%0.733SS**  trans-128.876173.1-76.6-166159.700111.8
1175F27.2Very low36.2Very low204 Ų204142.7 Ų142.790%0.89574%0.744SS**  trans-145.468.7158.3-112-78.3000111.4
1176V31.3Very low36.1Very low132 Ų132137.5 Ų137.580%0.873%0.733SS**  trans-144.8132.8150.6-159.80000108.1
1177W24Very low36.9Very low210 Ų210137 Ų13780%0.79573%0.73SS**  trans103.488.1173.9-65.656.2000115.5R1179W1177-R1179 PolarHBondContact O-N 2.95Å
1178T30.8Very low38.4Very low149 Ų149138.4 Ų138.491%0.91473%0.731SS**  trans-51117.1150.831.70000110.6
1179R21.8Very low40.2Very low212 Ų212129.7 Ų129.780%0.870%0.697SS**  trans-129.3144.9161.3-100-176.8174173.1-0.8109.6W1177W1177-R1179 PolarHBondContact O-N 2.95Å
1180P29.6Very low42.3Very low116 Ų116121 Ų12175%0.75367%0.668SS**  trans-71.5153.2-173.532.3-33.8000110.8S1182P1180-S1182 PolarHBondContact O-N 3.4Å
1181A35.3Very low44.4Very low112 Ų112115 Ų11593%0.92664%0.643SS**  trans-37.8122.9-178.500000114.1
1182S29.6Very low46.5Very low106 Ų106115.3 Ų115.374%0.74164%0.64SS**  trans-128.7114.8168.162.20000111.4P1180P1180-S1182 PolarHBondContact O-N 3.4Å
1183S36.2Very low49.1Very low111 Ų111109.9 Ų109.978%0.77661%0.61SS**  trans5383.1146.3640000119.3
1184Q40.3Very low51.6Low91 Ų91102.4 Ų102.443%0.42557%0.57SS.*  trans-79.7145.5130.9-73-85.4-31.700107.2L1071 G1186L1071-Q1184 HydrophobicContact CD1-CG 4.24Å; L1071-Q1184 HydrophobicContact CD2-CG 4.3Å; Q1184-G1186 VanDerWaalsContact C-N 3.28Å; Q1184-G1186 PolarHBondContact O-N 2.95Å
1185P38.8Very low54Low116 Ų11697.2 Ų97.275%0.75355%0.553SS**  trans-68.192173.328.3-30.5000108.1L1187P1185-L1187 PolarHBondContact O-N 3.36Å
1186G51.4Low56.7Low43 Ų4389.6 Ų89.644%0.44353%0.525SS..  trans-59.5121.8175.200000108.9Q1184 L1188Q1184-G1186 VanDerWaalsContact C-N 3.28Å; Q1184-G1186 PolarHBondContact O-N 2.95Å; G1186-L1188 PolarHBondContact O-N 3.49Å
1187L65.7Low59.3Low85 Ų8583.4 Ų83.445%0.44549%0.488SS..  trans-53.6105.7168.1-83.7138.7000108.4A1025 V1026 P1185 L1189A1025-L1187 HydrophobicContact CB-CD2 4.03Å; A1025-L1187 WeakPolarHBondContact O-CD2 3.39Å; V1026-L1187 HydrophobicContact CG2-CD1 3.72Å; V1026-L1187 HydrophobicContact CG2-CD2 3.98Å; P1185-L1187 PolarHBondContact O-N 3.36Å; L1187-L1189 PolarHBondContact O-N 3.11Å
1188L78.6Confident62.1Low111 Ų11175.5 Ų75.558%0.58146%0.461SS*.  trans-78.1117.1176.7-74.3167.9000108.7G1186 S1190G1186-L1188 PolarHBondContact O-N 3.49Å; L1188-S1190 PolarHBondContact O-N 3.31Å
1189L82.2Confident64.6Low5 Ų572.7 Ų72.73%0.02645%0.453CS..BIsolated β-bridgetrans-77109.8174.2-99.7150.2000109.7L991 S992 L993 A994 V997 A1021 Q1022 L1187 H1193 I1194L991-L1189 HydrophobicContact CB-CD1 4.41Å; L991-L1189 HydrophobicContact CD1-CD1 4.15Å; S992-L1189 PolarHBondContact O-N 2.84Å; S992-L1189 VanDerWaalsContact O-N 3.11Å; L993-L1189 HydrophobicContact CD2-CB 3.95Å; L993-L1189 HydrophobicContact CD2-CD1 4.44Å; A994-L1189 VanDerWaalsContact CB-O 3.32Å; A994-L1189 WeakPolarHBondContact CB-O 3.49Å; A994-L1189 PolarHBondContact N-O 2.95Å; V997-L1189 WeakPolarHBondContact CG2-O 3.44Å; A1021-L1189 HydrophobicContact CB-CD2 3.39Å; A1021-L1189 WeakPolarHBondContact O-CD2 3.49Å; Q1022-L1189 HydrophobicContact CG-CD1 3.8Å; L1187-L1189 PolarHBondContact O-N 3.11Å; L1189-H1193 HydrophobicContact CD2-CB 4.31Å; L1189-I1194 HydrophobicContact CD2-CG1 4.19Å
1190S85.2Confident67.5Low27 Ų2767.4 Ų67.419%0.18944%0.444CS..  trans-89.6161.8173.969.60000111.9L1188 A1192 H1193 I1194L1188-S1190 PolarHBondContact O-N 3.31Å; S1190-A1192 PolarHBondContact O-N 2.82Å; S1190-H1193 PolarHBondContact O-N 3.38Å; S1190-H1193 VanDerWaalsContact O-N 3.15Å; S1190-H1193 PolarHBondContact OG-ND1 3.31Å; S1190-I1194 PolarHBondContact O-N 2.99Å
1191Q84.7Confident70Confident58 Ų5862.8 Ų62.827%0.27141%0.414SS..Hα-helixtrans-60.5-29.5175.7-173.466.63.600112.1D996 V997 I1194 S1195D996-Q1191 HydrophobicContact CB-CB 4.49Å; D996-Q1191 WeakPolarHBondContact OD2-CB 3.34Å; D996-Q1191 PolarHBondContact OD2-N 3.49Å; V997-Q1191 HydrophobicContact CG2-CB 4.43Å; Q1191-I1194 PolarHBondContact O-N 2.86Å; Q1191-S1195 WeakPolarHBondContact O-CB 3.22Å; Q1191-S1195 PolarHBondContact O-N 3.02Å; Q1191-S1195 PolarHBondContact O-OG 3.07Å
1192A82.8Confident72.2Confident60 Ų6068 Ų6850%0.49641%0.41SS..Hα-helixtrans-63.1-43.4176.100000111.8S1190 I1194 S1195 S1196S1190-A1192 PolarHBondContact O-N 2.82Å; A1192-I1194 PolarHBondContact O-N 3.46Å; A1192-S1195 WeakPolarHBondContact CA-OG 3.46Å; A1192-S1195 PolarHBondContact O-N 3.39Å; A1192-S1195 PolarHBondContact O-OG 3.33Å; A1192-S1196 PolarHBondContact O-N 3.05Å
1193H86.9Confident74.7Confident28 Ų2865.4 Ų65.413%0.1339%0.39CS..Hα-helixtrans-64.9-40.1178.4-57.4160.9000111.8E1024 A1025 N1028 L1189 S1190 S1196 A1197E1024-H1193 HydrophobicContact CB-CB 4.36Å; A1025-H1193 VanDerWaalsContact CB-ND1 3.34Å; A1025-H1193 WeakPolarHBondContact CB-ND1 3.26Å; N1028-H1193 PolarHBondContact ND2-CD2 3.15Å; N1028-H1193 PolarHBondContact ND2-NE2 3.18Å; L1189-H1193 HydrophobicContact CD2-CB 4.31Å; S1190-H1193 PolarHBondContact O-N 3.38Å; S1190-H1193 VanDerWaalsContact O-N 3.15Å; S1190-H1193 PolarHBondContact OG-ND1 3.31Å; H1193-S1196 PolarHBondContact O-N 2.77Å; H1193-A1197 WeakPolarHBondContact O-CB 3.09Å; H1193-A1197 PolarHBondContact O-N 3Å
1194I85.7Confident76.6Confident0 Ų064.5 Ų64.50%038%0.384CS..Hα-helixtrans-66.8-39.6176.4-62.7173.3000110.7V997 L1002 L1017 A1021 L1189 S1190 Q1191 A1192 A1197 L1198V997-I1194 HydrophobicContact CB-CD1 4.32Å; V997-I1194 HydrophobicContact CG1-CD1 3.48Å; V997-I1194 VanDerWaalsContact CG1-CD1 3.48Å; V997-I1194 HydrophobicContact CG2-CD1 3.81Å; L1002-I1194 HydrophobicContact CD1-CG2 3.68Å; L1002-I1194 HydrophobicContact CD2-CG2 4.13Å; L1017-I1194 HydrophobicContact CD2-CG2 4.36Å; A1021-I1194 HydrophobicContact CB-CG1 3.96Å; L1189-I1194 HydrophobicContact CD2-CG1 4.19Å; S1190-I1194 PolarHBondContact O-N 2.99Å; Q1191-I1194 PolarHBondContact O-N 2.86Å; A1192-I1194 PolarHBondContact O-N 3.46Å; I1194-A1197 PolarHBondContact O-N 3.32Å; I1194-L1198 HydrophobicContact CG2-CD1 4.24Å; I1194-L1198 HydrophobicContact CG2-CG 4.48Å; I1194-L1198 WeakPolarHBondContact O-CB 3.3Å; I1194-L1198 WeakPolarHBondContact O-CG 3.29Å; I1194-L1198 PolarHBondContact O-N 3.39Å
1195S85.3Confident78.4Confident65 Ų6560.9 Ų60.946%0.45537%0.367SS..Hα-helixtrans-67.4-36.5177.271.40000113.2Q1191 A1192 L1198 A1199Q1191-S1195 WeakPolarHBondContact O-CB 3.22Å; Q1191-S1195 PolarHBondContact O-N 3.02Å; Q1191-S1195 PolarHBondContact O-OG 3.07Å; A1192-S1195 WeakPolarHBondContact CA-OG 3.46Å; A1192-S1195 PolarHBondContact O-N 3.39Å; A1192-S1195 PolarHBondContact O-OG 3.33Å; S1195-L1198 PolarHBondContact O-N 3.38Å; S1195-A1199 PolarHBondContact O-N 3.27Å
1196S83.8Confident80.4Confident45 Ų4557.5 Ų57.532%0.31535%0.346SS..Hα-helixtrans-63.4-48.4171.6-171.80000110.4E1024 A1192 H1193 L1198 A1199 V1200E1024-S1196 PolarHBondContact OE2-OG 2.97Å; A1192-S1196 PolarHBondContact O-N 3.05Å; H1193-S1196 PolarHBondContact O-N 2.77Å; S1196-L1198 PolarHBondContact O-N 2.81Å; S1196-A1199 WeakPolarHBondContact O-CB 3.48Å; S1196-A1199 PolarHBondContact O-N 3.5Å; S1196-A1199 VanDerWaalsContact O-N 3.14Å; S1196-V1200 PolarHBondContact O-N 3.32Å
1197A85.9Confident81.7Confident1 Ų159.6 Ų59.61%0.00835%0.352CS..Hα-helixtrans-60.8-41.7177.400000112.6N1020 A1021 H1193 I1194 A1199 V1200 T1201N1020-A1197 HydrophobicContact CB-CB 3.96Å; A1021-A1197 HydrophobicContact CB-CB 3.85Å; H1193-A1197 WeakPolarHBondContact O-CB 3.09Å; H1193-A1197 PolarHBondContact O-N 3Å; I1194-A1197 PolarHBondContact O-N 3.32Å; A1197-A1199 VanDerWaalsContact C-N 3.27Å; A1197-A1199 PolarHBondContact O-N 2.9Å; A1197-V1200 PolarHBondContact O-N 2.61Å; A1197-V1200 VanDerWaalsContact O-N 3.08Å; A1197-T1201 WeakPolarHBondContact O-CG2 3.25Å; A1197-T1201 PolarHBondContact O-N 2.87Å; A1197-T1201 PolarHBondContact O-OG1 2.81Å
1198L84.6Confident82.3Confident44 Ų4458.6 Ų58.623%0.2336%0.356CS..Hα-helixtrans-58.2-37.3175.7-84.9168.7000112.5L1002 V1005 T1006 L1017 I1194 S1195 S1196 V1200 T1201L1002-L1198 HydrophobicContact CD1-CD1 3.82Å; L1002-L1198 HydrophobicContact CD1-CD2 4.29Å; L1002-L1198 HydrophobicContact CD1-CG 4.33Å; V1005-L1198 HydrophobicContact CG1-CD1 4.43Å; T1006-L1198 HydrophobicContact CG2-CD2 3.8Å; L1017-L1198 HydrophobicContact CD1-CD2 3.29Å; L1017-L1198 HydrophobicContact CD1-CG 3.74Å; I1194-L1198 HydrophobicContact CG2-CD1 4.24Å; I1194-L1198 HydrophobicContact CG2-CG 4.48Å; I1194-L1198 WeakPolarHBondContact O-CB 3.3Å; I1194-L1198 WeakPolarHBondContact O-CG 3.29Å; I1194-L1198 PolarHBondContact O-N 3.39Å; S1195-L1198 PolarHBondContact O-N 3.38Å; S1196-L1198 PolarHBondContact O-N 2.81Å; L1198-V1200 PolarHBondContact O-N 3.12Å; L1198-T1201 WeakPolarHBondContact CA-OG1 3.2Å
1199A82.8Confident82.2Confident90 Ų9056 Ų5674%0.74434%0.343SS*.Hα-helixtrans-68-28178.600000112.4S1195 S1196 A1197S1195-A1199 PolarHBondContact O-N 3.27Å; S1196-A1199 WeakPolarHBondContact O-CB 3.48Å; S1196-A1199 PolarHBondContact O-N 3.5Å; S1196-A1199 VanDerWaalsContact O-N 3.14Å; A1197-A1199 VanDerWaalsContact C-N 3.27Å; A1197-A1199 PolarHBondContact O-N 2.9Å
1200V82.3Confident81.9Confident101 Ų10158.3 Ų58.361%0.61235%0.351SS*.Hα-helixtrans-91.1-38.7-178.7179.90000111.7S1196 A1197 L1198 R1202S1196-V1200 PolarHBondContact O-N 3.32Å; A1197-V1200 PolarHBondContact O-N 2.61Å; A1197-V1200 VanDerWaalsContact O-N 3.08Å; L1198-V1200 PolarHBondContact O-N 3.12Å; V1200-R1202 PolarHBondContact O-N 3.44Å
1201T82.6Confident81.5Confident20 Ų2058.4 Ų58.412%0.12336%0.357CS..PPolyproline II helixtrans-75.3124.2-178.352.40000112.2L1017 N1020 A1197 L1198L1017-T1201 HydrophobicContact CB-CG2 4.45Å; L1017-T1201 WeakPolarHBondContact CD1-OG1 3.46Å; N1020-T1201 HydrophobicContact CB-CG2 4.35Å; N1020-T1201 WeakPolarHBondContact ND2-CG2 3.34Å; A1197-T1201 WeakPolarHBondContact O-CG2 3.25Å; A1197-T1201 PolarHBondContact O-N 2.87Å; A1197-T1201 PolarHBondContact O-OG1 2.81Å; L1198-T1201 WeakPolarHBondContact CA-OG1 3.2Å
1202R81.1Confident81.2Confident222 Ų22261.5 Ų61.584%0.83837%0.369SS*.PPolyproline II helixtrans-103.2148.3168.7-64.4-176.6-179.5-177.90.9109.8V1200V1200-R1202 PolarHBondContact O-N 3.44Å
1203P81.3Confident81Confident50 Ų5061.5 Ų61.533%0.32536%0.357SS..PPolyproline II helixtrans-62.3139.5174.325.9-33.3000110.5F1009 L1205F1009-P1203 HydrophobicContact CD2-CB 4.25Å; F1009-P1203 HydrophobicContact CE2-CB 4.16Å; F1009-P1203 HydrophobicContact CE2-CG 4.47Å; P1203-L1205 PolarHBondContact O-N 3.13Å
1204S76.7Confident80.6Confident93 Ų9362.1 Ų62.165%0.6536%0.363SS*.SBendtrans-66.4-23.8-179.6-71.20000113.6D1013D1013-S1204 WeakPolarHBondContact OD1-CB 3.33Å; D1013-S1204 PolarHBondContact OD1-N 3.45Å; D1013-S1204 PolarHBondContact OD1-OG 2.84Å
1205L78.9Confident80.4Confident14 Ų1469.4 Ų69.47%0.07339%0.394CS..SBendtrans-112.6129.3-179.8-68.7171.6000110.2A849 P850 T1010 P1203 W1210 Y1213A849-L1205 HydrophobicContact CB-CD1 4.04Å; P850-L1205 HydrophobicContact CG-CD2 4.32Å; T1010-L1205 HydrophobicContact CG2-CD1 4.15Å; P1203-L1205 PolarHBondContact O-N 3.13Å; L1205-W1210 HydrophobicContact CB-CE3 4.03Å; L1205-W1210 HydrophobicContact CB-CZ3 4.48Å; L1205-W1210 HydrophobicContact CD1-CE3 3.81Å; L1205-W1210 HydrophobicContact CD1-CZ3 3.86Å; L1205-Y1213 HydrophobicContact CD2-CD2 4.05Å; L1205-Y1213 HydrophobicContact CD2-CE2 3.61Å
1206S80.9Confident80.2Confident45 Ų4569.5 Ų69.532%0.31539%0.39SS..  trans-70.3153.6172.980.90000110.6A1208 D1209 W1210S1206-A1208 PolarHBondContact O-N 3.03Å; S1206-A1208 VanDerWaalsContact O-N 3.17Å; S1206-D1209 WeakPolarHBondContact CB-OD2 3.31Å; S1206-D1209 PolarHBondContact O-N 3.45Å; S1206-D1209 WeakPolarHBondContact OG-CB 3.38Å; S1206-D1209 PolarHBondContact OG-N 3.39Å; S1206-D1209 PolarHBondContact OG-OD2 2.88Å; S1206-W1210 PolarHBondContact O-N 3.29Å
1207P77.2Confident80.1Confident87 Ų8767.8 Ų67.857%0.56538%0.376SS*.Hα-helixtrans-58.1-31175.7-23.531.9000113W1210 G1211P1207-W1210 WeakPolarHBondContact O-CB 3.5Å; P1207-G1211 PolarHBondContact O-N 3.43Å
1208A78.4Confident79.7Confident65 Ų6574 Ų7454%0.53741%0.405SS..Hα-helixtrans-71.3-41.7176.100000111.7S1206 W1210 G1211 K1212S1206-A1208 PolarHBondContact O-N 3.03Å; S1206-A1208 VanDerWaalsContact O-N 3.17Å; A1208-W1210 VanDerWaalsContact C-N 3.34Å; A1208-G1211 PolarHBondContact O-N 3.07Å; A1208-K1212 WeakPolarHBondContact O-CG 3.31Å; A1208-K1212 PolarHBondContact O-N 2.86Å; A1208-K1212 VanDerWaalsContact O-N 3.08Å
1209D76.6Confident79.3Confident57 Ų5776 Ų7631%0.30542%0.423SS..Hα-helixtrans-70.9-33.9177.3-60.9-39.6000111.3S1206 G1211 K1212 Y1213S1206-D1209 WeakPolarHBondContact CB-OD2 3.31Å; S1206-D1209 PolarHBondContact O-N 3.45Å; S1206-D1209 WeakPolarHBondContact OG-CB 3.38Å; S1206-D1209 PolarHBondContact OG-N 3.39Å; S1206-D1209 PolarHBondContact OG-OD2 2.88Å; D1209-G1211 VanDerWaalsContact C-N 3.35Å; D1209-G1211 PolarHBondContact O-N 3.33Å; D1209-K1212 WeakPolarHBondContact O-CB 3.31Å; D1209-K1212 PolarHBondContact O-N 3.19Å; D1209-K1212 VanDerWaalsContact O-N 3.11Å; D1209-K1212 IonicContact OD1-NZ 3.32Å; D1209-K1212 PolarHBondContact OD1-NZ 3.46Å; D1209-Y1213 HydrophobicContact CB-CD2 4.35Å; D1209-Y1213 HydrophobicContact CB-CE2 4.28Å; D1209-Y1213 WeakPolarHBondContact O-CD2 3.29Å; D1209-Y1213 PolarHBondContact O-N 3.29Å
1210W76.2Confident79Confident52 Ų5274 Ų7420%0.19740%0.397CS..Hα-helixtrans-55-50.8169.2-162.4-89.4000111.4P974 T1010 L1205 S1206 P1207 A1208 K1212 Y1213 T1214P974-W1210 HydrophobicContact CB-CH2 3.09Å; P974-W1210 HydrophobicContact CB-CZ2 3.08Å; P974-W1210 HydrophobicContact CB-CZ3 4.16Å; P974-W1210 HydrophobicContact CG-CH2 3.86Å; P974-W1210 HydrophobicContact CG-CZ2 3.28Å; T1010-W1210 HydrophobicContact CG2-CZ3 4.32Å; L1205-W1210 HydrophobicContact CB-CE3 4.03Å; L1205-W1210 HydrophobicContact CB-CZ3 4.48Å; L1205-W1210 HydrophobicContact CD1-CE3 3.81Å; L1205-W1210 HydrophobicContact CD1-CZ3 3.86Å; S1206-W1210 PolarHBondContact O-N 3.29Å; P1207-W1210 WeakPolarHBondContact O-CB 3.5Å; A1208-W1210 VanDerWaalsContact C-N 3.34Å; W1210-K1212 VanDerWaalsContact C-N 3.27Å; W1210-K1212 PolarHBondContact O-N 2.95Å; W1210-Y1213 PolarHBondContact O-N 3.28Å; W1210-T1214 WeakPolarHBondContact O-CB 3.49Å; W1210-T1214 PolarHBondContact O-N 3.22Å; W1210-T1214 PolarHBondContact O-OG1 2.88Å
1211G76Confident78Confident30 Ų3071.5 Ų71.531%0.30939%0.392SS..Hα-helixtrans-62.1-30.6176.300000113.9P1207 A1208 D1209 K1215P1207-G1211 PolarHBondContact O-N 3.43Å; A1208-G1211 PolarHBondContact O-N 3.07Å; D1209-G1211 VanDerWaalsContact C-N 3.35Å; D1209-G1211 PolarHBondContact O-N 3.33Å; G1211-K1215 WeakPolarHBondContact O-CB 3.38Å; G1211-K1215 WeakPolarHBondContact O-CD 3.26Å; G1211-K1215 VanDerWaalsContact O-CG 3.24Å; G1211-K1215 WeakPolarHBondContact O-CG 3.43Å; G1211-K1215 PolarHBondContact O-N 3.38Å
1212K79.2Confident76.5Confident122 Ų12272.5 Ų72.553%0.5341%0.406SS..Hα-helixtrans-70.4-49.4172.5-67.5172.8-163.4158.20111.1A1208 D1209 W1210 K1215 L1216A1208-K1212 WeakPolarHBondContact O-CG 3.31Å; A1208-K1212 PolarHBondContact O-N 2.86Å; A1208-K1212 VanDerWaalsContact O-N 3.08Å; D1209-K1212 WeakPolarHBondContact O-CB 3.31Å; D1209-K1212 PolarHBondContact O-N 3.19Å; D1209-K1212 VanDerWaalsContact O-N 3.11Å; D1209-K1212 IonicContact OD1-NZ 3.32Å; D1209-K1212 PolarHBondContact OD1-NZ 3.46Å; W1210-K1212 VanDerWaalsContact C-N 3.27Å; W1210-K1212 PolarHBondContact O-N 2.95Å; K1212-K1215 PolarHBondContact O-N 2.76Å; K1212-L1216 WeakPolarHBondContact O-CB 3.48Å; K1212-L1216 VanDerWaalsContact O-CG 3.28Å; K1212-L1216 WeakPolarHBondContact O-CG 3.24Å; K1212-L1216 PolarHBondContact O-N 3.06Å
1213Y78.9Confident74.7Confident61 Ų6167 Ų6724%0.23940%0.402CS..Hα-helixtrans-61.9-44.2179.5-79.5-60.4000111.9L1205 D1209 W1210 K1215 L1216 Y1217L1205-Y1213 HydrophobicContact CD2-CD2 4.05Å; L1205-Y1213 HydrophobicContact CD2-CE2 3.61Å; D1209-Y1213 HydrophobicContact CB-CD2 4.35Å; D1209-Y1213 HydrophobicContact CB-CE2 4.28Å; D1209-Y1213 WeakPolarHBondContact O-CD2 3.29Å; D1209-Y1213 PolarHBondContact O-N 3.29Å; W1210-Y1213 PolarHBondContact O-N 3.28Å; Y1213-K1215 VanDerWaalsContact C-N 3.35Å; Y1213-K1215 PolarHBondContact O-N 2.91Å; Y1213-L1216 HydrophobicContact CD1-CD1 4.44Å; Y1213-L1216 PolarHBondContact O-N 2.84Å; Y1213-Y1217 AromaticContact CD1-CE2 3.97Å; Y1213-Y1217 HydrophobicContact CD1-CE2 3.97Å; Y1213-Y1217 AromaticContact CD1-CZ 3.68Å; Y1213-Y1217 VanDerWaalsContact CD1-OH 3.24Å; Y1213-Y1217 WeakPolarHBondContact CD1-OH 3.48Å; Y1213-Y1217 HydrophobicContact CG-CE2 4.15Å; Y1213-Y1217 WeakPolarHBondContact O-CB 3.5Å; Y1213-Y1217 WeakPolarHBondContact O-CD2 3.28Å; Y1213-Y1217 PolarHBondContact O-N 3.08Å
1214T79Confident73Confident40 Ų4071.9 Ų71.925%0.24543%0.425CS..Hα-helixtrans-57.8-47.2175.2-53.70000111.1W1210 L1216 Y1217 E1218W1210-T1214 WeakPolarHBondContact O-CB 3.49Å; W1210-T1214 PolarHBondContact O-N 3.22Å; W1210-T1214 PolarHBondContact O-OG1 2.88Å; T1214-L1216 PolarHBondContact O-N 2.83Å; T1214-Y1217 PolarHBondContact O-N 3.3Å; T1214-E1218 HydrophobicContact CG2-CG 4.4Å; T1214-E1218 WeakPolarHBondContact CG2-OE1 3.44Å; T1214-E1218 VanDerWaalsContact O-CB 3.31Å; T1214-E1218 WeakPolarHBondContact O-CB 3.47Å; T1214-E1218 VanDerWaalsContact O-CG 3.26Å; T1214-E1218 WeakPolarHBondContact O-CG 3.44Å; T1214-E1218 PolarHBondContact O-N 2.67Å
1215K80.8Confident71.4Confident153 Ų15374.4 Ų74.467%0.66543%0.432SS*.Hα-helixtrans-62.8-40175.8-73.3174.7-177-179.20112.8G1211 K1212 Y1213 S1219G1211-K1215 WeakPolarHBondContact O-CB 3.38Å; G1211-K1215 WeakPolarHBondContact O-CD 3.26Å; G1211-K1215 VanDerWaalsContact O-CG 3.24Å; G1211-K1215 WeakPolarHBondContact O-CG 3.43Å; G1211-K1215 PolarHBondContact O-N 3.38Å; K1212-K1215 PolarHBondContact O-N 2.76Å; Y1213-K1215 VanDerWaalsContact C-N 3.35Å; Y1213-K1215 PolarHBondContact O-N 2.91Å; K1215-S1219 VanDerWaalsContact O-CB 3.29Å; K1215-S1219 WeakPolarHBondContact O-CB 3.46Å; K1215-S1219 PolarHBondContact O-N 3.45Å; K1215-S1219 PolarHBondContact O-OG 2.85Å
1216L80.9Confident69.3Low68 Ų6883.5 Ų83.536%0.35647%0.471SS..Hα-helixtrans-63.8-47.8177.2-73.8169.9000111.2K1212 Y1213 T1214 S1219 F1220K1212-L1216 WeakPolarHBondContact O-CB 3.48Å; K1212-L1216 VanDerWaalsContact O-CG 3.28Å; K1212-L1216 WeakPolarHBondContact O-CG 3.24Å; K1212-L1216 PolarHBondContact O-N 3.06Å; Y1213-L1216 HydrophobicContact CD1-CD1 4.44Å; Y1213-L1216 PolarHBondContact O-N 2.84Å; T1214-L1216 PolarHBondContact O-N 2.83Å; L1216-S1219 PolarHBondContact O-N 2.83Å; L1216-S1219 PolarHBondContact O-OG 3.05Å; L1216-F1220 PolarHBondContact O-N 3.38Å
1217Y82.3Confident67Low9 Ų986.2 Ų86.24%0.03549%0.489CS..Hα-helixtrans-70.4-37.2-179.3-58.4-41.5000112.7Y847 G848 A849 S951 P953 Y971 Y1213 T1214 S1219 F1220 G1221Y847-Y1217 AromaticContact CD2-CD1 3.98Å; Y847-Y1217 HydrophobicContact CD2-CD1 3.98Å; Y847-Y1217 HydrophobicContact CE2-CD1 4.4Å; G848-Y1217 VanDerWaalsContact C-CZ 3.44Å; G848-Y1217 PolarHBondContact O-OH 2.61Å; A849-Y1217 WeakPolarHBondContact CA-OH 3.23Å; A849-Y1217 HydrophobicContact CB-CE2 4.24Å; A849-Y1217 PolarHBondContact N-OH 3.05Å; S951-Y1217 PolarHBondContact O-OH 2.81Å; P953-Y1217 HydrophobicContact CG-CD1 4.11Å; P953-Y1217 HydrophobicContact CG-CE1 4.18Å; Y971-Y1217 HydrophobicContact CD2-CG 4.44Å; Y971-Y1217 AromaticContact CE2-CD2 3.72Å; Y971-Y1217 HydrophobicContact CE2-CD2 3.72Å; Y971-Y1217 AromaticContact CE2-CG 3.7Å; Y971-Y1217 HydrophobicContact CE2-CG 3.7Å; Y1213-Y1217 AromaticContact CD1-CE2 3.97Å; Y1213-Y1217 HydrophobicContact CD1-CE2 3.97Å; Y1213-Y1217 AromaticContact CD1-CZ 3.68Å; Y1213-Y1217 VanDerWaalsContact CD1-OH 3.24Å; Y1213-Y1217 WeakPolarHBondContact CD1-OH 3.48Å; Y1213-Y1217 HydrophobicContact CG-CE2 4.15Å; Y1213-Y1217 WeakPolarHBondContact O-CB 3.5Å; Y1213-Y1217 WeakPolarHBondContact O-CD2 3.28Å; Y1213-Y1217 PolarHBondContact O-N 3.08Å; T1214-Y1217 PolarHBondContact O-N 3.3Å; Y1217-S1219 VanDerWaalsContact C-N 3.33Å; Y1217-F1220 PolarHBondContact O-N 3.17Å; Y1217-G1221 PolarHBondContact O-N 3.11Å
1218E77.3Confident64.9Low130 Ų13087.5 Ų87.561%0.60750%0.498SS*.Hα-helixtrans-63.7-38.7171.4-75.7175.9-178.300111.8T1214 F1220 G1222T1214-E1218 HydrophobicContact CG2-CG 4.4Å; T1214-E1218 WeakPolarHBondContact CG2-OE1 3.44Å; T1214-E1218 VanDerWaalsContact O-CB 3.31Å; T1214-E1218 WeakPolarHBondContact O-CB 3.47Å; T1214-E1218 VanDerWaalsContact O-CG 3.26Å; T1214-E1218 WeakPolarHBondContact O-CG 3.44Å; T1214-E1218 PolarHBondContact O-N 2.67Å; E1218-F1220 VanDerWaalsContact C-N 3.27Å; E1218-F1220 PolarHBondContact O-N 2.83Å; E1218-G1222 WeakPolarHBondContact O-CA 3.48Å; E1218-G1222 PolarHBondContact O-N 3.23Å
1219S76.9Confident63Low86 Ų8689.5 Ų89.560%0.60151%0.505SS*.Hα-helixtrans-66.6-31.1176.275.40000112.9K1215 L1216 Y1217K1215-S1219 VanDerWaalsContact O-CB 3.29Å; K1215-S1219 WeakPolarHBondContact O-CB 3.46Å; K1215-S1219 PolarHBondContact O-N 3.45Å; K1215-S1219 PolarHBondContact O-OG 2.85Å; L1216-S1219 PolarHBondContact O-N 2.83Å; L1216-S1219 PolarHBondContact O-OG 3.05Å; Y1217-S1219 VanDerWaalsContact C-N 3.33Å
1220F75.6Confident60.9Low48 Ų4893.5 Ų93.521%0.21153%0.532CS..Hα-helixtrans-79.7-42.2177.7-170.9-97.5000112.1L845 Y847 P953 L961 L1216 Y1217 E1218L845-F1220 HydrophobicContact CD2-CZ 4.46Å; Y847-F1220 HydrophobicContact CD1-CD1 4.31Å; Y847-F1220 HydrophobicContact CD1-CE1 4.02Å; Y847-F1220 HydrophobicContact CD2-CD1 4.16Å; Y847-F1220 AromaticContact CE1-CD1 3.93Å; Y847-F1220 HydrophobicContact CE1-CD1 3.93Å; Y847-F1220 AromaticContact CE1-CE1 3.86Å; Y847-F1220 HydrophobicContact CE1-CE1 3.86Å; Y847-F1220 AromaticContact CE2-CD1 3.76Å; Y847-F1220 HydrophobicContact CE2-CD1 3.76Å; Y847-F1220 HydrophobicContact CE2-CE1 4.42Å; Y847-F1220 HydrophobicContact CG-CD1 4.4Å; Y847-F1220 HydrophobicContact CG-CE1 4.37Å; Y847-F1220 AromaticContact CZ-CD1 3.62Å; P953-F1220 HydrophobicContact CB-CD1 4.06Å; P953-F1220 HydrophobicContact CB-CD2 3.89Å; P953-F1220 HydrophobicContact CB-CE1 3.92Å; P953-F1220 HydrophobicContact CB-CE2 3.75Å; P953-F1220 HydrophobicContact CB-CG 4.03Å; P953-F1220 HydrophobicContact CB-CZ 3.76Å; P953-F1220 HydrophobicContact CG-CB 4.44Å; P953-F1220 HydrophobicContact CG-CD1 4.24Å; P953-F1220 HydrophobicContact CG-CD2 4.24Å; P953-F1220 HydrophobicContact CG-CG 4.05Å; L961-F1220 HydrophobicContact CD1-CE2 3.66Å; L961-F1220 HydrophobicContact CD1-CZ 3.61Å; L961-F1220 HydrophobicContact CD2-CZ 4.18Å; L1216-F1220 PolarHBondContact O-N 3.38Å; Y1217-F1220 PolarHBondContact O-N 3.17Å; E1218-F1220 VanDerWaalsContact C-N 3.27Å; E1218-F1220 PolarHBondContact O-N 2.83Å
1221G62.2Low58.9Low49 Ų4999 Ų9951%0.50556%0.558SS.*Hα-helixtrans-78.5-19.9177.800000114.6Y1217 S1223Y1217-G1221 PolarHBondContact O-N 3.11Å; G1221-S1223 VanDerWaalsContact C-N 3.34Å; G1221-S1223 PolarHBondContact O-N 3.23Å
1222G50.7Low57.2Low41 Ų41102.4 Ų102.442%0.42357%0.572SS.*THydrogen-bonded Turntrans-83.28.8-173.600000116.3E1218 N1224 D1225E1218-G1222 WeakPolarHBondContact O-CA 3.48Å; E1218-G1222 PolarHBondContact O-N 3.23Å; G1222-N1224 PolarHBondContact O-N 3.5Å; G1222-D1225 PolarHBondContact O-N 2.74Å
1223S43.6Very low54.8Low106 Ų106103 Ų10374%0.74159%0.589SS**THydrogen-bonded Turntrans-71.32.4-173.490.10000115.3G1221G1221-S1223 VanDerWaalsContact C-N 3.34Å; G1221-S1223 PolarHBondContact O-N 3.23Å
1224N44.7Very low53Low154 Ų154103.8 Ų103.882%0.82462%0.616SS**THydrogen-bonded Turntrans-100.4-5.5178.1-98.10.2000115.2G1222G1222-N1224 PolarHBondContact O-N 3.5Å
1225D43.2Very low51Low146 Ų146108.5 Ų108.578%0.78164%0.635SS**SBendtrans-161.394.6172.3-104.1-29.4000111.2G1222G1222-D1225 PolarHBondContact O-N 2.74Å
1226K35.2Very low48.6Very low205 Ų205113 Ų11389%0.89165%0.648SS**  trans-178.8140.4145.3-96.6150.5-166178.80112.7
1227S32.3Very low46.2Very low101 Ų101115 Ų11571%0.70666%0.662SS**  trans-39.4152.9173.650.90000116
1228P33.7Very low43.6Very low115 Ų115121.1 Ų121.175%0.74770%0.701SS**  trans-59.8145.3-176.826-34.5000112T1230P1228-T1230 PolarHBondContact O-N 3.23Å
1229P37.6Very low41.1Very low107 Ų107123.3 Ų123.370%0.69572%0.716SS**  trans-68119.7179.427.9-32.2000109.7F1231P1229-F1231 PolarHBondContact O-N 3.12Å; P1229-F1231 VanDerWaalsContact O-N 3.12Å
1230T32.3Very low38.7Very low141 Ų141127.5 Ų127.587%0.86576%0.756SS**  trans-61.2110166.218.30000109.5P1228 T1232P1228-T1230 PolarHBondContact O-N 3.23Å; T1230-T1232 PolarHBondContact O-N 3.4Å
1231F35.2Very low36.8Very low168 Ų168131.5 Ų131.574%0.73778%0.783SS**PPolyproline II helixtrans-62.2125.2168.9-74.9-86000109.9P1229P1229-F1231 PolarHBondContact O-N 3.12Å; P1229-F1231 VanDerWaalsContact O-N 3.12Å
1232T39.3Very low35.5Very low100 Ų100135.8 Ų135.861%0.61380%0.798SS**PPolyproline II helixtrans-72.3133.9167.445.80000109.8T1230 G1234T1230-T1232 PolarHBondContact O-N 3.4Å; T1232-G1234 PolarHBondContact O-N 3.19Å
1233P28.9Very low34.6Very low135 Ų135141.1 Ų141.188%0.87782%0.818SS**THydrogen-bonded Turntrans-64.5119.1-17824.5-31.3000110.5
1234G40.6Very low34.1Very low78 Ų78143.2 Ų143.280%0.80482%0.823SS**THydrogen-bonded Turntrans133.8-7.9173.800000116.5T1232 R1236T1232-G1234 PolarHBondContact O-N 3.19Å; G1234-R1236 PolarHBondContact O-N 3.4Å
1235Q37.9Very low33.5Very low139 Ų139142.5 Ų142.565%0.6582%0.823SS**  trans-82.5113-179.2-158.9169.52.300111.1
1236R30.4Very low32.8Very low248 Ų248142.3 Ų142.394%0.93683%0.826SS**  trans-84.2120.4172-72.9-177.4176.9178.6-1109.2G1234G1234-R1236 PolarHBondContact O-N 3.4Å
1237V29.5Very low32.6Very low109 Ų109137.8 Ų137.866%0.66182%0.821SS**  trans-113.1119.1170.6-178.90000107.1
1238T28.6Very low32.7Very low138 Ų138140.6 Ų140.685%0.84783%0.83SS**  trans-76.7119.7169.626.30000108.6
1239L23.9Very low32.6Very low176 Ų176142.8 Ų142.892%0.92184%0.837SS**  trans-76.2120.4170.7-69164.2000108
1240A27Very low32.1Very low174 Ų174146 Ų146100%1.43885%0.85SS**  trans-113.70161.400000107.6

Retrieved 1,240 of 1,240 residues in 377.8 ms (Link to these results)

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