A0A096MEI0_POEFO Loading...

Aspartoacylase

AlphaFold DB , UniProt , Accession A0A096MEI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 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
1S38.1Very low68.9Low171 Ų171113.3 Ų113.3100%1.19663%0.632SS**  0115.90-52.90000109
2S39.7Very low71.2Confident106 Ų106105.9 Ų105.974%0.74160%0.596SS**  trans52.572.2171.4680000119.8N4S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 PolarHBondContact O-N 3.03Å
3N38.8Very low73.2Confident160 Ų16098.2 Ų98.286%0.85655%0.554SS**  trans-85.384144.6-92.62.3000107.2N5N3-N5 PolarHBondContact O-N 3.34Å
4N43.4Very low74.9Confident140 Ų140103.1 Ų103.175%0.74956%0.559SS**  trans-62.593163.6-97.7-7.9000107.1S2 N6S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 PolarHBondContact O-N 3.03Å; N4-N6 PolarHBondContact O-N 3.23Å
5N56Low76.4Confident130 Ų130101.2 Ų101.270%0.69554%0.541SS*.  trans-65.174.1160.4-93.1-7.8000107.4N3 T7N3-N5 PolarHBondContact O-N 3.34Å; N5-T7 PolarHBondContact O-N 3.46Å
6N74.1Confident77.8Confident129 Ų12994.9 Ų94.969%0.6951%0.507SS*.  trans-79.491.6-179.9-149.119.4000107.2N4 A8N4-N6 PolarHBondContact O-N 3.23Å; N6-A8 PolarHBondContact O-N 3.35Å
7T89Confident79.1Confident44 Ų4489.3 Ų89.327%0.2748%0.477SS..  trans-65.8113.9173.1-56.50000108.6N5 A309 R311N5-T7 PolarHBondContact O-N 3.46Å; T7-A309 CarbonylContact C-O 3.55Å; T7-A309 WeakPolarHBondContact CA-O 3.26Å; T7-A309 HydrophobicContact CG2-CB 3.96Å; T7-R311 HydrophobicContact CG2-CB 4.29Å; T7-R311 HydrophobicContact CG2-CG 3.81Å
8A92.9Very high80.2Confident29 Ų2984.3 Ų84.324%0.2445%0.451CS..EExtended strand (participates in β ladder)trans-67.8137.8174.600000109.5N6 F10 A309 I310 R311N6-A8 PolarHBondContact O-N 3.35Å; A8-F10 HydrophobicContact CB-CD2 4.48Å; A8-F10 HydrophobicContact CB-CE2 3.68Å; A8-F10 HydrophobicContact CB-CZ 4.24Å; A8-A309 PolarHBondContact N-O 3.2Å; A8-I310 HydrophobicContact CB-CG2 4.31Å; A8-I310 VanDerWaalsContact O-CA 3.29Å; A8-I310 WeakPolarHBondContact O-CA 3.46Å; A8-R311 PolarHBondContact O-N 3.3Å; A8-R311 VanDerWaalsContact O-N 3.09Å
9R95Very high81.2Confident154 Ų15479.9 Ų79.958%0.58143%0.427SS*.EExtended strand (participates in β ladder)trans-110.3131.2178-59.7-171.9-169.1-173.27.3108.7R311 A313R9-R311 WeakPolarHBondContact CA-O 3.19Å; R9-R311 HydrophobicContact CG-CG 4.26Å; R9-R311 VanDerWaalsContact CZ-NH2 3.35Å; R9-A313 HydrophobicContact CB-CB 4.18Å
10F95.3Very high82.1Confident48 Ų4875.9 Ų75.921%0.21141%0.406CS..EExtended strand (participates in β ladder)trans-122.8146.8173.8-59.7-96.6000108.8A8 A136 F137 F211 I310 R311 K312 A313A8-F10 HydrophobicContact CB-CD2 4.48Å; A8-F10 HydrophobicContact CB-CE2 3.68Å; A8-F10 HydrophobicContact CB-CZ 4.24Å; F10-A136 HydrophobicContact CE2-CB 4.4Å; F10-A136 HydrophobicContact CZ-CB 4.15Å; F10-F137 HydrophobicContact CD1-CB 4.35Å; F10-F137 HydrophobicContact CE1-CB 4.14Å; F10-F137 HydrophobicContact CE2-CB 4.34Å; F10-F137 HydrophobicContact CZ-CB 4.14Å; F10-F211 HydrophobicContact CB-CE1 4.34Å; F10-F211 HydrophobicContact CB-CZ 3.79Å; F10-I310 HydrophobicContact CD2-CB 4.19Å; F10-I310 HydrophobicContact CD2-CG2 4.22Å; F10-I310 HydrophobicContact CE2-CB 4.12Å; F10-I310 HydrophobicContact CE2-CG2 3.64Å; F10-R311 PolarHBondContact N-O 3.45Å; F10-K312 CarbonylContact O-C 3.57Å; F10-K312 WeakPolarHBondContact O-CA 3.3Å; F10-A313 PolarHBondContact O-N 2.91Å
11D95.9Very high82.9Confident135 Ų13572.3 Ų72.372%0.72239%0.387SS*.  trans-61.4159.4166.5-65.6-40.1000110.1A13D11-A13 PolarHBondContact O-N 3.21Å
12A96.4Very high85.7Confident25 Ų2564.2 Ų64.221%0.20733%0.33CS..  trans-59126.7172.800000110.6R14 N212 K312A12-R14 HydrophobicContact CB-CG 4.28Å; A12-R14 PolarHBondContact O-N 3.33Å; A12-N212 VanDerWaalsContact CA-OD1 3.24Å; A12-N212 WeakPolarHBondContact CA-OD1 3.26Å; A12-N212 WeakPolarHBondContact CB-OD1 3.32Å; A12-K312 HydrophobicContact CB-CD 4.01Å; A12-K312 HydrophobicContact CB-CG 4.43Å
13A96.6Very high88.6Confident5 Ų559.3 Ų59.34%0.04130%0.295CS..  trans-79.1101.4173.900000108.9D11 L48 D112 V113 F137 I208 N212D11-A13 PolarHBondContact O-N 3.21Å; A13-L48 VanDerWaalsContact O-CD2 3.25Å; A13-L48 WeakPolarHBondContact O-CD2 3.35Å; A13-D112 HydrophobicContact CB-CB 3.85Å; A13-V113 HydrophobicContact CB-CG2 4.13Å; A13-F137 HydrophobicContact CB-CZ 4.03Å; A13-I208 HydrophobicContact CB-CG2 4Å; A13-I208 WeakPolarHBondContact O-CG2 3.5Å; A13-N212 PolarHBondContact N-OD1 2.9Å; A13-N212 PolarHBondContact O-ND2 2.84Å
14R96.9Very high91.4Very high167 Ų16751.8 Ų51.863%0.6326%0.255SS*.  trans-101-40-172.5-67.9-178.3-178.71781.6112.3A12 E49 D112A12-R14 HydrophobicContact CB-CG 4.28Å; A12-R14 PolarHBondContact O-N 3.33Å; R14-E49 PolarHBondContact O-N 3.12Å; R14-D112 PolarHBondContact N-OD2 2.92Å
15R98.6Very high94.1Very high75 Ų7545.6 Ų45.628%0.28322%0.222SC..EExtended strand (participates in β ladder)trans-96.6107.9-174-65176.672.9-155.91.6109.2E109 Y111 D112 V113R15-E109 PolarHBondContact NH1-O 3.47Å; R15-Y111 VanDerWaalsContact C-CD1 3.47Å; R15-Y111 HydrophobicContact CB-CD1 3.68Å; R15-Y111 HydrophobicContact CB-CD2 4.48Å; R15-Y111 HydrophobicContact CB-CE1 3.88Å; R15-Y111 HydrophobicContact CB-CG 3.98Å; R15-Y111 WeakPolarHBondContact O-CD1 3.43Å; R15-D112 PolarHBondContact N-OD2 3.05Å; R15-D112 PolarHBondContact O-N 3.48Å; R15-V113 PolarHBondContact O-N 3.03Å
16V98.8Very high96.1Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-118.3130.1-178.4-178.30000109.2E49 I50 K51 V113 F115 L205 I208V16-E49 PolarHBondContact N-O 3.48Å; V16-I50 HydrophobicContact CB-CG1 4.22Å; V16-I50 CarbonylContact O-C 3.47Å; V16-I50 VanDerWaalsContact O-CA 3.32Å; V16-I50 WeakPolarHBondContact O-CA 3.27Å; V16-K51 PolarHBondContact O-N 2.96Å; V16-V113 VanDerWaalsContact CA-O 3.31Å; V16-V113 WeakPolarHBondContact CA-O 3.35Å; V16-V113 HydrophobicContact CG1-CB 4.41Å; V16-V113 HydrophobicContact CG2-CB 4.32Å; V16-F115 HydrophobicContact CG1-CD2 3.81Å; V16-F115 HydrophobicContact CG1-CE2 3.74Å; V16-L205 HydrophobicContact CG1-CD2 4.08Å; V16-I208 HydrophobicContact CG2-CD1 4.04Å
17A98.9Very high97.3Very high0 Ų035.4 Ų35.40%017%0.167CC..EExtended strand (participates in β ladder)trans-111.6147.2169.200000111F19 K51 F102 Y111 V113 I114 F115A17-F19 HydrophobicContact CB-CD1 4Å; A17-F19 HydrophobicContact CB-CE1 3.59Å; A17-F19 HydrophobicContact CB-CZ 4.37Å; A17-K51 WeakPolarHBondContact CA-O 3.16Å; A17-F102 HydrophobicContact CB-CD1 3.71Å; A17-F102 HydrophobicContact CB-CE1 3.61Å; A17-Y111 HydrophobicContact CB-CD1 3.95Å; A17-Y111 HydrophobicContact CB-CE1 4.21Å; A17-V113 PolarHBondContact N-O 2.92Å; A17-I114 HydrophobicContact CB-CG1 3.97Å; A17-I114 WeakPolarHBondContact O-CA 3.41Å; A17-F115 PolarHBondContact O-N 3.36Å
18I98.9Very high97.8Very high0 Ų033.3 Ų33.30%015%0.154CC..EExtended strand (participates in β ladder)trans-119.6106.1173.7-56.3158.9000106.9V33 W36 I43 I50 K51 P52 F53 F115 L117 L201I18-V33 HydrophobicContact CG2-CG2 4.01Å; I18-W36 HydrophobicContact CD1-CE3 4.41Å; I18-W36 HydrophobicContact CG2-CE3 4.23Å; I18-W36 HydrophobicContact CG2-CZ3 3.88Å; I18-I43 HydrophobicContact CD1-CB 4.19Å; I18-I43 HydrophobicContact CD1-CD1 3.86Å; I18-I43 HydrophobicContact CD1-CG2 3.96Å; I18-I50 HydrophobicContact CD1-CG2 3.49Å; I18-I50 VanDerWaalsContact CD1-CG2 3.49Å; I18-I50 HydrophobicContact CG1-CG2 4.13Å; I18-K51 PolarHBondContact N-O 3.19Å; I18-P52 CarbonylContact O-C 3.5Å; I18-P52 WeakPolarHBondContact O-CA 3.4Å; I18-F53 PolarHBondContact O-N 3.14Å; I18-F115 CarbonylContact C-O 3.53Å; I18-F115 WeakPolarHBondContact CA-O 3.41Å; I18-L117 HydrophobicContact CG2-CD1 3.86Å; I18-L117 HydrophobicContact CG2-CG 4.23Å; I18-L201 HydrophobicContact CD1-CD2 3.81Å; I18-L201 HydrophobicContact CG1-CD1 4.33Å; I18-L201 HydrophobicContact CG1-CD2 4.12Å; I18-L201 HydrophobicContact CG2-CD2 3.8Å
19F98.9Very high98Very high0 Ų031.9 Ų31.90%014%0.142CC..EExtended strand (participates in β ladder)trans-91.4131.6-179-71.7-1000110.5A17 F53 T55 I98 F102 I114 F115 D116 L117A17-F19 HydrophobicContact CB-CD1 4Å; A17-F19 HydrophobicContact CB-CE1 3.59Å; A17-F19 HydrophobicContact CB-CZ 4.37Å; F19-F53 WeakPolarHBondContact CA-O 3.4Å; F19-F53 HydrophobicContact CD1-CB 4.04Å; F19-F53 HydrophobicContact CD1-CD1 4.18Å; F19-F53 HydrophobicContact CE1-CB 4.18Å; F19-F53 HydrophobicContact CE1-CD1 4.01Å; F19-F53 HydrophobicContact CE1-CG 4.45Å; F19-T55 HydrophobicContact CB-CG2 3.63Å; F19-T55 HydrophobicContact CD1-CG2 3.81Å; F19-T55 HydrophobicContact CD2-CG2 3.39Å; F19-T55 HydrophobicContact CE1-CG2 4.28Å; F19-T55 HydrophobicContact CE2-CG2 3.9Å; F19-T55 HydrophobicContact CG-CG2 3.33Å; F19-T55 HydrophobicContact CZ-CG2 4.32Å; F19-I98 HydrophobicContact CE2-CG2 3.9Å; F19-I98 HydrophobicContact CZ-CG2 3.87Å; F19-F102 AromaticContact CE1-CD1 3.95Å; F19-F102 HydrophobicContact CE1-CD1 3.95Å; F19-F102 AromaticContact CE1-CD2 3.94Å; F19-F102 HydrophobicContact CE1-CD2 3.94Å; F19-F102 AromaticContact CE1-CE1 3.77Å; F19-F102 HydrophobicContact CE1-CE1 3.77Å; F19-F102 AromaticContact CE1-CE2 3.77Å; F19-F102 HydrophobicContact CE1-CE2 3.77Å; F19-F102 HydrophobicContact CE1-CG 4.04Å; F19-F102 AromaticContact CE1-CZ 3.68Å; F19-F102 HydrophobicContact CE1-CZ 3.68Å; F19-F102 HydrophobicContact CZ-CB 4.26Å; F19-F102 HydrophobicContact CZ-CD1 4.08Å; F19-F102 AromaticContact CZ-CD2 3.64Å; F19-F102 HydrophobicContact CZ-CD2 3.64Å; F19-F102 HydrophobicContact CZ-CE1 4.32Å; F19-F102 AromaticContact CZ-CE2 3.92Å; F19-F102 HydrophobicContact CZ-CE2 3.92Å; F19-F102 AromaticContact CZ-CG 3.73Å; F19-F102 HydrophobicContact CZ-CG 3.73Å; F19-F102 HydrophobicContact CZ-CZ 4.25Å; F19-I114 HydrophobicContact CD1-CG2 4.19Å; F19-I114 HydrophobicContact CD2-CG2 3.5Å; F19-I114 VanDerWaalsContact CD2-CG2 3.5Å; F19-I114 HydrophobicContact CE1-CG2 4.29Å; F19-I114 HydrophobicContact CE2-CD1 3.96Å; F19-I114 HydrophobicContact CE2-CG2 3.63Å; F19-I114 HydrophobicContact CG-CG2 3.81Å; F19-I114 HydrophobicContact CZ-CD1 3.82Å; F19-I114 HydrophobicContact CZ-CG1 4.48Å; F19-I114 HydrophobicContact CZ-CG2 4.03Å; F19-F115 PolarHBondContact N-O 3.34Å; F19-D116 HydrophobicContact CB-CB 4.15Å; F19-L117 WeakPolarHBondContact O-CB 3.49Å; F19-L117 VanDerWaalsContact O-CG 3.31Å; F19-L117 WeakPolarHBondContact O-CG 3.23Å; F19-L117 PolarHBondContact O-N 3.32Å
20G98.9Very high98.2Very high0 Ų024.9 Ų24.90%012%0.117CC..EExtended strand (participates in β ladder)trans-134.1149.5174.300000109.5T22 F53 I54 T55G20-T22 VanDerWaalsContact C-N 3.35Å; G20-F53 PolarHBondContact N-O 3.04Å; G20-F53 VanDerWaalsContact N-O 3.11Å; G20-I54 WeakPolarHBondContact O-CA 3.11Å; G20-T55 PolarHBondContact O-N 3.06Å; G20-T55 VanDerWaalsContact O-N 3.08Å; G20-T55 PolarHBondContact O-OG1 3.35Å
21G98.8Very high98.4Very high1 Ų124.8 Ų24.81%0.0112%0.12CC..  trans67.834.1-178.400000113.3H23 V30 T55 N56G21-H23 WeakPolarHBondContact CA-O 3.47Å; G21-V30 VanDerWaalsContact CA-CG2 3.48Å; G21-T55 VanDerWaalsContact C-OG1 3.27Å; G21-T55 PolarHBondContact O-OG1 2.95Å; G21-N56 WeakPolarHBondContact O-CA 3.19Å; G21-N56 WeakPolarHBondContact O-CB 3.34Å; G21-N56 PolarHBondContact O-N 2.97Å
22T98.9Very high98.5Very high0 Ų018.3 Ų18.30%09%0.085CC..SBendtrans-61.7-38.7166.3-69.20000109.4G20 T55 L71 N72 D116 S169G20-T22 VanDerWaalsContact C-N 3.35Å; T22-T55 WeakPolarHBondContact CA-OG1 3.01Å; T22-T55 PolarHBondContact N-OG1 3.02Å; T22-T55 PolarHBondContact OG1-OG1 3.42Å; T22-L71 HydrophobicContact CG2-CD2 4.43Å; T22-L71 HydrophobicContact CG2-CG 4.49Å; T22-N72 HydrophobicContact CG2-CB 3.77Å; T22-D116 WeakPolarHBondContact CB-OD1 3.47Å; T22-D116 PolarHBondContact OG1-OD1 2.91Å; T22-S169 PolarHBondContact OG1-OG 2.87Å
23H98.9Very high98.6Very high4 Ų417.1 Ų17.12%0.0198%0.076CC..SBendtrans-107.7126.9158.7-47.9122.8000109G21 N25 E26 R65 D70 N72 H118G21-H23 WeakPolarHBondContact CA-O 3.47Å; H23-N25 PolarHBondContact O-N 3.26Å; H23-E26 HydrophobicContact CB-CG 4.04Å; H23-E26 WeakPolarHBondContact CB-OE1 3.29Å; H23-E26 IonicContact CE1-OE1 3.6Å; H23-E26 IonicContact CG-OE1 3.35Å; H23-E26 VanDerWaalsContact CG-OE1 3.31Å; H23-E26 VanDerWaalsContact ND1-CD 3.28Å; H23-E26 IonicContact ND1-OE1 3.79Å; H23-E26 PolarHBondContact ND1-OE1 2.88Å; H23-E26 IonicContact ND1-OE2 3.35Å; H23-E26 PolarHBondContact ND1-OE2 2.81Å; H23-E26 PolarHBondContact O-N 3.26Å; H23-R65 VanDerWaalsContact CA-O 3.26Å; H23-R65 WeakPolarHBondContact CA-O 3.48Å; H23-R65 HydrophobicContact CB-CG 3.85Å; H23-R65 VanDerWaalsContact CD2-CZ 3.44Å; H23-R65 PolarHBondContact CD2-NH2 3.36Å; H23-R65 PolarHBondContact CE1-NH2 2.9Å; H23-R65 VanDerWaalsContact CG-NH1 3.31Å; H23-R65 PolarHBondContact ND1-NH1 3.4Å; H23-R65 PolarHBondContact NE2-NH2 2.8Å; H23-D70 IonicContact CD2-OD1 2.75Å; H23-D70 IonicContact NE2-OD1 3.15Å; H23-D70 PolarHBondContact NE2-OD1 3.45Å; H23-N72 WeakPolarHBondContact NE2-CB 3.45Å; H23-H118 AromaticContact CE1-CE1 3.37Å; H23-H118 PolarHBondContact CE1-CE1 2.6Å; H23-H118 AromaticContact CE1-ND1 3.21Å; H23-H118 PolarHBondContact CE1-ND1 3.29Å; H23-H118 AromaticContact ND1-CE1 3.67Å; H23-H118 AromaticContact ND1-ND1 3.24Å; H23-H118 PolarHBondContact ND1-ND1 3.21Å
24G98.8Very high98.7Very high1 Ų120 Ų201%0.019%0.09CC..THydrogen-bonded Turntrans-71.5-12.6-16700000116V64 R65G24-V64 CarbonylContact C-O 3.59Å; G24-V64 VanDerWaalsContact C-O 3.3Å; G24-V64 WeakPolarHBondContact CA-O 3.21Å; G24-V64 PolarHBondContact N-O 3.08Å; G24-R65 PolarHBondContact N-O 2.85Å; G24-R65 VanDerWaalsContact N-O 3.16Å
25N98.8Very high98.8Very high11 Ų1115.3 Ų15.36%0.0598%0.077CC..THydrogen-bonded Turntrans-106.69.5-179.961.6-7.4000113.9H23 V64 R65 Q186 G187H23-N25 PolarHBondContact O-N 3.26Å; N25-V64 PolarHBondContact N-O 3.11Å; N25-R65 PolarHBondContact ND2-N 2.72Å; N25-R65 WeakPolarHBondContact OD1-CA 3.36Å; N25-Q186 HydrophobicContact CB-CB 4.23Å; N25-Q186 PolarHBondContact ND2-OE1 3.38Å; N25-Q186 WeakPolarHBondContact O-CA 3.41Å; N25-G187 PolarHBondContact O-N 2.96Å
26E98.9Very high98.8Very high7 Ų711.9 Ų11.93%0.0336%0.064CC..  trans-96.791.9175.6-70176-156.500110.1H23 S28 V30 R65 H118 N119H23-E26 HydrophobicContact CB-CG 4.04Å; H23-E26 WeakPolarHBondContact CB-OE1 3.29Å; H23-E26 IonicContact CE1-OE1 3.6Å; H23-E26 IonicContact CG-OE1 3.35Å; H23-E26 VanDerWaalsContact CG-OE1 3.31Å; H23-E26 VanDerWaalsContact ND1-CD 3.28Å; H23-E26 IonicContact ND1-OE1 3.79Å; H23-E26 PolarHBondContact ND1-OE1 2.88Å; H23-E26 IonicContact ND1-OE2 3.35Å; H23-E26 PolarHBondContact ND1-OE2 2.81Å; H23-E26 PolarHBondContact O-N 3.26Å; E26-S28 PolarHBondContact O-N 3.49Å; E26-V30 WeakPolarHBondContact O-CG2 3.4Å; E26-R65 IonicContact OE1-NH1 3.18Å; E26-R65 PolarHBondContact OE1-NH1 3.23Å; E26-R65 VanDerWaalsContact OE1-NH1 3.07Å; E26-H118 WeakPolarHBondContact OE2-CA 3.44Å; E26-H118 WeakPolarHBondContact OE2-CB 3.5Å; E26-H118 IonicContact OE2-CG 3.73Å; E26-H118 IonicContact OE2-ND1 3.38Å; E26-H118 PolarHBondContact OE2-ND1 3.46Å; E26-N119 HydrophobicContact CB-CB 3.95Å; E26-N119 HydrophobicContact CG-CB 4.09Å; E26-N119 WeakPolarHBondContact CG-O 3.19Å; E26-N119 PolarHBondContact OE2-N 3.44Å
27M98.9Very high98.8Very high37 Ų3717 Ų1718%0.1829%0.089CC..Hα-helixtrans-73.8-24.5-154.6-56.9-49.7-65.700115.7T31 N119 G187 L189M27-T31 VanDerWaalsContact O-CB 3.27Å; M27-T31 WeakPolarHBondContact O-CB 3.24Å; M27-T31 PolarHBondContact O-N 2.8Å; M27-T31 PolarHBondContact O-OG1 3.37Å; M27-N119 PolarHBondContact N-OD1 3.39Å; M27-G187 VanDerWaalsContact CG-C 3.46Å; M27-L189 HydrophobicContact CB-CB 4.08Å; M27-L189 HydrophobicContact CB-CD1 4.17Å
28S98.8Very high98.8Very high0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-68.6-47-177.1-60.10000110.9E26 T31 L32 N119 Q184E26-S28 PolarHBondContact O-N 3.49Å; S28-T31 PolarHBondContact O-N 2.94Å; S28-L32 WeakPolarHBondContact O-CB 3.36Å; S28-L32 WeakPolarHBondContact O-CG 3.41Å; S28-L32 PolarHBondContact O-N 2.94Å; S28-N119 VanDerWaalsContact CB-OD1 3.29Å; S28-N119 WeakPolarHBondContact CB-OD1 3.41Å; S28-N119 PolarHBondContact N-OD1 3.47Å; S28-N119 PolarHBondContact OG-ND2 3.01Å; S28-N119 PolarHBondContact OG-OD1 3.19Å; S28-Q184 PolarHBondContact OG-NE2 3.46Å; S28-Q184 PolarHBondContact OG-OE1 3.17Å
29G98.8Very high98.7Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-63.8-43.5176.400000112.4T31 V33G29-T31 PolarHBondContact O-N 3.43Å; G29-V33 WeakPolarHBondContact O-CB 3.49Å; G29-V33 WeakPolarHBondContact O-CG2 3.36Å; G29-V33 PolarHBondContact O-N 3.34Å; G29-V33 VanDerWaalsContact O-N 3.08Å
30V98.9Very high98.6Very high7 Ų732 Ų324%0.04217%0.167CC..Hα-helixtrans-56.8-49174.9173.50000111.1G21 E26 N34 V60G21-V30 VanDerWaalsContact CA-CG2 3.48Å; E26-V30 WeakPolarHBondContact O-CG2 3.4Å; V30-N34 WeakPolarHBondContact O-CB 3.42Å; V30-N34 PolarHBondContact O-N 3.47Å; V30-N34 VanDerWaalsContact O-N 3.12Å; V30-N34 PolarHBondContact O-ND2 3.4Å; V30-V60 HydrophobicContact CG1-CG1 3.69Å; V30-V60 HydrophobicContact CG1-CG2 4.44Å; V30-V60 HydrophobicContact CG2-CG1 4.44Å; V30-V60 HydrophobicContact CG2-CG2 3.78Å
31T98.9Very high98.5Very high45 Ų4534.9 Ų34.928%0.27619%0.192SC..Hα-helixtrans-70.8-46.6-174.4-54.10000111.6M27 S28 G29 V33 N34 L35 L189 F194M27-T31 VanDerWaalsContact O-CB 3.27Å; M27-T31 WeakPolarHBondContact O-CB 3.24Å; M27-T31 PolarHBondContact O-N 2.8Å; M27-T31 PolarHBondContact O-OG1 3.37Å; S28-T31 PolarHBondContact O-N 2.94Å; G29-T31 PolarHBondContact O-N 3.43Å; T31-V33 PolarHBondContact O-N 3.3Å; T31-N34 PolarHBondContact O-N 3.07Å; T31-L35 WeakPolarHBondContact O-CB 3.13Å; T31-L35 PolarHBondContact O-N 3.18Å; T31-L189 HydrophobicContact CG2-CD2 3.95Å; T31-F194 HydrophobicContact CG2-CD2 4.38Å; T31-F194 HydrophobicContact CG2-CE2 3.77Å
32L98.9Very high98.4Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-60.7-45.1179.4-77.5170.1000111.8S28 L35 W36 L117 F194 M197 R198S28-L32 WeakPolarHBondContact O-CB 3.36Å; S28-L32 WeakPolarHBondContact O-CG 3.41Å; S28-L32 PolarHBondContact O-N 2.94Å; L32-L35 WeakPolarHBondContact O-CB 3.1Å; L32-L35 PolarHBondContact O-N 2.93Å; L32-W36 HydrophobicContact CB-CE3 4.07Å; L32-W36 HydrophobicContact CB-CH2 3.7Å; L32-W36 HydrophobicContact CB-CZ2 4.25Å; L32-W36 HydrophobicContact CB-CZ3 3.6Å; L32-W36 HydrophobicContact CD1-CH2 3.97Å; L32-W36 HydrophobicContact CD1-CZ3 4.49Å; L32-W36 HydrophobicContact CD2-CH2 3.76Å; L32-W36 HydrophobicContact CD2-CZ2 3.67Å; L32-W36 HydrophobicContact CG-CH2 4.01Å; L32-W36 HydrophobicContact CG-CZ2 4.41Å; L32-W36 HydrophobicContact CG-CZ3 4.41Å; L32-W36 VanDerWaalsContact O-CE3 3.29Å; L32-W36 PolarHBondContact O-N 2.88Å; L32-L117 HydrophobicContact CB-CD1 4.5Å; L32-L117 HydrophobicContact CD1-CD1 4.37Å; L32-F194 HydrophobicContact CB-CE2 4.34Å; L32-F194 HydrophobicContact CD1-CD2 4.44Å; L32-F194 HydrophobicContact CD1-CE2 4.49Å; L32-F194 HydrophobicContact CD2-CD1 4.47Å; L32-F194 HydrophobicContact CD2-CD2 3.95Å; L32-F194 HydrophobicContact CD2-CE1 3.89Å; L32-F194 HydrophobicContact CD2-CE2 3.31Å; L32-F194 HydrophobicContact CD2-CZ 3.27Å; L32-F194 HydrophobicContact CG-CD2 3.77Å; L32-F194 HydrophobicContact CG-CE2 3.4Å; L32-F194 VanDerWaalsContact CG-CE2 3.4Å; L32-F194 HydrophobicContact CG-CZ 3.95Å; L32-M197 HydrophobicContact CD1-CB 4.05Å; L32-M197 HydrophobicContact CD1-CG 3.77Å; L32-M197 HydrophobicContact CD1-SD 3.74Å; L32-R198 HydrophobicContact CD1-CB 4.39Å; L32-R198 HydrophobicContact CD2-CB 3.91Å; L32-R198 HydrophobicContact CD2-CG 3.96Å
33V98.8Very high98.4Very high0 Ų037.8 Ų37.80%021%0.205CC..Hα-helixtrans-66.5-43.2179.5166.20000111.8I18 G29 T31 L35 W36 M37 P52 F53 I54 L117I18-V33 HydrophobicContact CG2-CG2 4.01Å; G29-V33 WeakPolarHBondContact O-CB 3.49Å; G29-V33 WeakPolarHBondContact O-CG2 3.36Å; G29-V33 PolarHBondContact O-N 3.34Å; G29-V33 VanDerWaalsContact O-N 3.08Å; T31-V33 PolarHBondContact O-N 3.3Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 PolarHBondContact O-N 3.43Å; V33-W36 PolarHBondContact O-N 2.83Å; V33-M37 HydrophobicContact CG1-CG 4.26Å; V33-M37 HydrophobicContact CG1-SD 3.94Å; V33-M37 WeakPolarHBondContact O-CB 3.42Å; V33-M37 VanDerWaalsContact O-CG 3.29Å; V33-M37 WeakPolarHBondContact O-CG 3.4Å; V33-M37 PolarHBondContact O-N 2.88Å; V33-P52 HydrophobicContact CG1-CB 4.15Å; V33-F53 VanDerWaalsContact CG1-C 3.47Å; V33-I54 HydrophobicContact CB-CD1 3.9Å; V33-I54 HydrophobicContact CG1-CD1 3.55Å; V33-I54 HydrophobicContact CG1-CG1 3.89Å; V33-L117 HydrophobicContact CG2-CD1 4.37Å
34N98.7Very high98.4Very high66 Ų6643.4 Ų43.435%0.35323%0.231SC..Hα-helixtrans-60.8-40.9175.2-79.4-38.9000112V30 T31 M37 Q38V30-N34 WeakPolarHBondContact O-CB 3.42Å; V30-N34 PolarHBondContact O-N 3.47Å; V30-N34 VanDerWaalsContact O-N 3.12Å; V30-N34 PolarHBondContact O-ND2 3.4Å; T31-N34 PolarHBondContact O-N 3.07Å; N34-M37 PolarHBondContact O-N 3.16Å; N34-Q38 WeakPolarHBondContact O-CG 3.16Å; N34-Q38 PolarHBondContact O-N 2.99Å
35L98.6Very high98.3Very high67 Ų6745.5 Ų45.535%0.35124%0.239SC..Hα-helixtrans-57.8-48.5173.4176.269.3000111.1T31 L32 V33 Q38 N39 F194T31-L35 WeakPolarHBondContact O-CB 3.13Å; T31-L35 PolarHBondContact O-N 3.18Å; L32-L35 WeakPolarHBondContact O-CB 3.1Å; L32-L35 PolarHBondContact O-N 2.93Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 PolarHBondContact O-N 3.43Å; L35-Q38 PolarHBondContact O-N 2.9Å; L35-N39 PolarHBondContact O-N 3.04Å; L35-F194 HydrophobicContact CD2-CZ 4.41Å
36W98.7Very high98.1Very high3 Ų353.6 Ų53.61%0.01127%0.274CS..Hα-helixtrans-75.6-23.4-177.1-62.9-37.8000114.7I18 L32 V33 Q38 N39 S40 E42 I43 P52 L117 R198 L201I18-W36 HydrophobicContact CD1-CE3 4.41Å; I18-W36 HydrophobicContact CG2-CE3 4.23Å; I18-W36 HydrophobicContact CG2-CZ3 3.88Å; L32-W36 HydrophobicContact CB-CE3 4.07Å; L32-W36 HydrophobicContact CB-CH2 3.7Å; L32-W36 HydrophobicContact CB-CZ2 4.25Å; L32-W36 HydrophobicContact CB-CZ3 3.6Å; L32-W36 HydrophobicContact CD1-CH2 3.97Å; L32-W36 HydrophobicContact CD1-CZ3 4.49Å; L32-W36 HydrophobicContact CD2-CH2 3.76Å; L32-W36 HydrophobicContact CD2-CZ2 3.67Å; L32-W36 HydrophobicContact CG-CH2 4.01Å; L32-W36 HydrophobicContact CG-CZ2 4.41Å; L32-W36 HydrophobicContact CG-CZ3 4.41Å; L32-W36 VanDerWaalsContact O-CE3 3.29Å; L32-W36 PolarHBondContact O-N 2.88Å; V33-W36 PolarHBondContact O-N 2.83Å; W36-Q38 VanDerWaalsContact C-N 3.27Å; W36-N39 WeakPolarHBondContact CA-O 3.41Å; W36-N39 CarbonylContact O-C 3.36Å; W36-S40 PolarHBondContact O-N 2.7Å; W36-E42 PolarHBondContact NE1-OE2 2.99Å; W36-I43 HydrophobicContact CB-CD1 3.81Å; W36-I43 HydrophobicContact CB-CG1 4.4Å; W36-I43 HydrophobicContact CD2-CG2 3.54Å; W36-I43 HydrophobicContact CE3-CG2 4.02Å; W36-I43 HydrophobicContact CG-CD1 4.14Å; W36-I43 HydrophobicContact CG-CG1 4.35Å; W36-I43 HydrophobicContact CG-CG2 3.85Å; W36-I43 HydrophobicContact CH2-CG2 4.39Å; W36-I43 HydrophobicContact CZ2-CG2 3.93Å; W36-I43 HydrophobicContact CZ3-CG2 4.42Å; W36-P52 HydrophobicContact CB-CB 3.97Å; W36-P52 HydrophobicContact CB-CG 4.04Å; W36-L117 HydrophobicContact CZ3-CD1 4.26Å; W36-R198 HydrophobicContact CZ2-CG 4.18Å; W36-L201 HydrophobicContact CE3-CD2 4.29Å; W36-L201 HydrophobicContact CH2-CD2 3.21Å; W36-L201 HydrophobicContact CH2-CG 4.47Å; W36-L201 HydrophobicContact CZ2-CD2 4.16Å; W36-L201 HydrophobicContact CZ3-CD2 3.28Å
37M98.4Very high97.8Very high108 Ų10856.1 Ų56.153%0.53230%0.301SS..Hα-helixtrans-66.7-30.6169-75.5178.660.900111.8V33 N34 P52 I54V33-M37 HydrophobicContact CG1-CG 4.26Å; V33-M37 HydrophobicContact CG1-SD 3.94Å; V33-M37 WeakPolarHBondContact O-CB 3.42Å; V33-M37 VanDerWaalsContact O-CG 3.29Å; V33-M37 WeakPolarHBondContact O-CG 3.4Å; V33-M37 PolarHBondContact O-N 2.88Å; N34-M37 PolarHBondContact O-N 3.16Å; M37-P52 HydrophobicContact CG-CB 4.07Å; M37-P52 HydrophobicContact CG-CG 3.95Å; M37-I54 HydrophobicContact SD-CG1 4.09Å
38Q97.9Very high97.7Very high171 Ų17155.4 Ų55.480%0.79930%0.298SS*.Hα-helixtrans-83-40.9174.1-65.4176.72.700112.2N34 L35 W36N34-Q38 WeakPolarHBondContact O-CG 3.16Å; N34-Q38 PolarHBondContact O-N 2.99Å; L35-Q38 PolarHBondContact O-N 2.9Å; W36-Q38 VanDerWaalsContact C-N 3.27Å
39N97.3Very high97.7Very high100 Ų10060.4 Ų60.454%0.53532%0.321SS..  trans-143106.3178.6179.96.7000111.5L35 W36 A41L35-N39 PolarHBondContact O-N 3.04Å; W36-N39 WeakPolarHBondContact CA-O 3.41Å; W36-N39 CarbonylContact O-C 3.36Å; N39-A41 PolarHBondContact O-N 2.96Å; N39-A41 VanDerWaalsContact OD1-CB 3.23Å; N39-A41 WeakPolarHBondContact OD1-CB 3.41Å; N39-A41 PolarHBondContact OD1-N 2.97Å
40S96.5Very high97.7Very high43 Ų4361.8 Ų61.830%0.30133%0.329SS..  trans-86.61-177.361.60000114.7W36 E42 I43 Q44W36-S40 PolarHBondContact O-N 2.7Å; S40-E42 PolarHBondContact O-N 2.58Å; S40-I43 WeakPolarHBondContact O-CG1 3.14Å; S40-I43 PolarHBondContact O-N 3.31Å; S40-Q44 WeakPolarHBondContact O-CG 3.4Å; S40-Q44 PolarHBondContact O-N 3.4Å; S40-Q44 VanDerWaalsContact O-N 3.14Å; S40-Q44 PolarHBondContact OG-NE2 3.43Å
41A97.6Very high97.7Very high62 Ų6265 Ų6551%0.51234%0.342SS..THydrogen-bonded Turntrans-53.7-36.2-171.900000113.8N39N39-A41 PolarHBondContact O-N 2.96Å; N39-A41 VanDerWaalsContact OD1-CB 3.23Å; N39-A41 WeakPolarHBondContact OD1-CB 3.41Å; N39-A41 PolarHBondContact OD1-N 2.97Å
42E97.6Very high97.7Very high57 Ų5763.7 Ų63.727%0.26634%0.335SS..THydrogen-bonded Turntrans-68.2-38.5-179.6-175.6-173.4170.800113.6W36 S40 R45 R198W36-E42 PolarHBondContact NE1-OE2 2.99Å; S40-E42 PolarHBondContact O-N 2.58Å; E42-R45 PolarHBondContact O-NH1 3.26Å; E42-R198 VanDerWaalsContact CD-NH2 3.29Å; E42-R198 WeakPolarHBondContact OE1-CD 3.29Å; E42-R198 WeakPolarHBondContact OE1-CG 3.47Å; E42-R198 IonicContact OE1-CZ 2.72Å; E42-R198 IonicContact OE1-NE 3.53Å; E42-R198 PolarHBondContact OE1-NE 2.94Å; E42-R198 IonicContact OE1-NH2 2.85Å; E42-R198 IonicContact OE2-CZ 3.69Å; E42-R198 VanDerWaalsContact OE2-CZ 3.24Å; E42-R198 IonicContact OE2-NE 2.69Å; E42-R198 PolarHBondContact OE2-NE 3.49Å; E42-R198 IonicContact OE2-NH2 3.87Å; E42-R198 PolarHBondContact OE2-NH2 2.84Å
43I98.3Very high97.7Very high4 Ų465 Ų652%0.02134%0.34CS..THydrogen-bonded Turntrans-86.6-17.4-175.956.3169.1000111.8I18 W36 S40 R45 I50 P52 L205I18-I43 HydrophobicContact CD1-CB 4.19Å; I18-I43 HydrophobicContact CD1-CD1 3.86Å; I18-I43 HydrophobicContact CD1-CG2 3.96Å; W36-I43 HydrophobicContact CB-CD1 3.81Å; W36-I43 HydrophobicContact CB-CG1 4.4Å; W36-I43 HydrophobicContact CD2-CG2 3.54Å; W36-I43 HydrophobicContact CE3-CG2 4.02Å; W36-I43 HydrophobicContact CG-CD1 4.14Å; W36-I43 HydrophobicContact CG-CG1 4.35Å; W36-I43 HydrophobicContact CG-CG2 3.85Å; W36-I43 HydrophobicContact CH2-CG2 4.39Å; W36-I43 HydrophobicContact CZ2-CG2 3.93Å; W36-I43 HydrophobicContact CZ3-CG2 4.42Å; S40-I43 WeakPolarHBondContact O-CG1 3.14Å; S40-I43 PolarHBondContact O-N 3.31Å; I43-R45 PolarHBondContact O-N 3.04Å; I43-I50 HydrophobicContact CB-CG2 4.4Å; I43-I50 HydrophobicContact CD1-CG2 3.82Å; I43-I50 HydrophobicContact CG1-CG2 4.39Å; I43-I50 WeakPolarHBondContact O-CD1 3.41Å; I43-P52 HydrophobicContact CD1-CB 4.32Å; I43-P52 HydrophobicContact CD1-CG 3.97Å; I43-L205 HydrophobicContact CB-CD1 3.91Å; I43-L205 HydrophobicContact CG2-CD1 4.06Å
44Q97.8Very high97.7Very high122 Ų12266 Ų6657%0.5735%0.345SS*.  trans-59.1135-178.7-77.21771800112.9S40S40-Q44 WeakPolarHBondContact O-CG 3.4Å; S40-Q44 PolarHBondContact O-N 3.4Å; S40-Q44 VanDerWaalsContact O-N 3.14Å; S40-Q44 PolarHBondContact OG-NE2 3.43Å
45R97.8Very high97.7Very high45 Ų4562.8 Ų62.817%0.1733%0.328CS..  trans-135.6149.2169.4-63.8-63.7178.9-77-3.3108.9E42 I43 G47 L48 L205 D206E42-R45 PolarHBondContact O-NH1 3.26Å; I43-R45 PolarHBondContact O-N 3.04Å; R45-G47 PolarHBondContact O-N 3.42Å; R45-L48 HydrophobicContact CB-CB 4.27Å; R45-L48 HydrophobicContact CB-CD1 3.73Å; R45-L48 HydrophobicContact CB-CG 3.87Å; R45-L48 HydrophobicContact CG-CD1 4.16Å; R45-L48 PolarHBondContact O-N 3.32Å; R45-L205 HydrophobicContact CG-CB 4.16Å; R45-D206 IonicContact CZ-OD1 3.73Å; R45-D206 IonicContact NE-OD1 3.89Å; R45-D206 PolarHBondContact NE-OD1 3.14Å; R45-D206 IonicContact NH2-OD1 3.37Å; R45-D206 PolarHBondContact NH2-OD1 2.95Å
46K94.1Very high97.7Very high182 Ų18259.6 Ų59.679%0.79131%0.312SS*.THydrogen-bonded Turntrans-62.4126.1-178.4-175-180177.2-176.60109.9L48K46-L48 VanDerWaalsContact C-N 3.28Å; K46-L48 PolarHBondContact O-N 3.4Å
47G92.6Very high97.7Very high60 Ų6062 Ų6262%0.61933%0.328SS*.THydrogen-bonded Turntrans77.75.517700000115.4R45R45-G47 PolarHBondContact O-N 3.42Å
48L97.6Very high97.7Very high22 Ų2261.7 Ų61.712%0.11532%0.323CS..  trans-101.8132.5171.1-56.1-166.5000110.6A13 R45 K46 I50 I208 N212A13-L48 VanDerWaalsContact O-CD2 3.25Å; A13-L48 WeakPolarHBondContact O-CD2 3.35Å; R45-L48 HydrophobicContact CB-CB 4.27Å; R45-L48 HydrophobicContact CB-CD1 3.73Å; R45-L48 HydrophobicContact CB-CG 3.87Å; R45-L48 HydrophobicContact CG-CD1 4.16Å; R45-L48 PolarHBondContact O-N 3.32Å; K46-L48 VanDerWaalsContact C-N 3.28Å; K46-L48 PolarHBondContact O-N 3.4Å; L48-I50 HydrophobicContact CB-CD1 3.81Å; L48-I50 HydrophobicContact CB-CG1 3.67Å; L48-I50 HydrophobicContact CD1-CD1 4.15Å; L48-I208 HydrophobicContact CD1-CB 4.03Å; L48-I208 HydrophobicContact CD1-CG2 3.79Å; L48-I208 HydrophobicContact CD2-CG2 3.71Å; L48-I208 HydrophobicContact CG-CG2 4.46Å; L48-N212 WeakPolarHBondContact CD2-ND2 2.85Å
49E98.2Very high97.8Very high104 Ų10453.6 Ų53.649%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-91.9104164.1-174.9-163.2144.300107.8R14 V16 Y111R14-E49 PolarHBondContact O-N 3.12Å; V16-E49 PolarHBondContact N-O 3.48Å; E49-Y111 PolarHBondContact OE1-OH 3.47Å
50I98.6Very high97.8Very high30 Ų3050.2 Ų50.215%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-110.6123-174.6-54.3169.4000109.4V16 I18 I43 L48 L205V16-I50 HydrophobicContact CB-CG1 4.22Å; V16-I50 CarbonylContact O-C 3.47Å; V16-I50 VanDerWaalsContact O-CA 3.32Å; V16-I50 WeakPolarHBondContact O-CA 3.27Å; I18-I50 HydrophobicContact CD1-CG2 3.49Å; I18-I50 VanDerWaalsContact CD1-CG2 3.49Å; I18-I50 HydrophobicContact CG1-CG2 4.13Å; I43-I50 HydrophobicContact CB-CG2 4.4Å; I43-I50 HydrophobicContact CD1-CG2 3.82Å; I43-I50 HydrophobicContact CG1-CG2 4.39Å; I43-I50 WeakPolarHBondContact O-CD1 3.41Å; L48-I50 HydrophobicContact CB-CD1 3.81Å; L48-I50 HydrophobicContact CB-CG1 3.67Å; L48-I50 HydrophobicContact CD1-CD1 4.15Å; I50-L205 HydrophobicContact CD1-CD1 4.45Å; I50-L205 HydrophobicContact CD1-CD2 3.97Å
51K98.6Very high97.9Very high73 Ų7355.9 Ų55.932%0.31729%0.29SS..EExtended strand (participates in β ladder)trans-118.599.4-176.9-172.9168.2176.3-175.40111.4V16 A17 I18 F102 Y111V16-K51 PolarHBondContact O-N 2.96Å; A17-K51 WeakPolarHBondContact CA-O 3.16Å; I18-K51 PolarHBondContact N-O 3.19Å; K51-F102 HydrophobicContact CB-CE1 4.49Å; K51-F102 HydrophobicContact CD-CE1 3.77Å; K51-F102 HydrophobicContact CD-CZ 4.04Å; K51-F102 HydrophobicContact CG-CE1 4.2Å; K51-F102 HydrophobicContact CG-CZ 4.46Å; K51-Y111 HydrophobicContact CB-CE1 4.47Å
52P98.8Very high98Very high19 Ų1959 Ų5912%0.12329%0.292CS..EExtended strand (participates in β ladder)trans-68.1138.616730-33.1000109.9I18 V33 W36 M37 I43I18-P52 CarbonylContact O-C 3.5Å; I18-P52 WeakPolarHBondContact O-CA 3.4Å; V33-P52 HydrophobicContact CG1-CB 4.15Å; W36-P52 HydrophobicContact CB-CB 3.97Å; W36-P52 HydrophobicContact CB-CG 4.04Å; M37-P52 HydrophobicContact CG-CB 4.07Å; M37-P52 HydrophobicContact CG-CG 3.95Å; I43-P52 HydrophobicContact CD1-CB 4.32Å; I43-P52 HydrophobicContact CD1-CG 3.97Å
53F98.9Very high98Very high28 Ų2859 Ų5912%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-153.2127.9-172.2-172.9-102.4000113.9I18 F19 G20 V33 T55 R94 I98 M101 F102I18-F53 PolarHBondContact O-N 3.14Å; F19-F53 WeakPolarHBondContact CA-O 3.4Å; F19-F53 HydrophobicContact CD1-CB 4.04Å; F19-F53 HydrophobicContact CD1-CD1 4.18Å; F19-F53 HydrophobicContact CE1-CB 4.18Å; F19-F53 HydrophobicContact CE1-CD1 4.01Å; F19-F53 HydrophobicContact CE1-CG 4.45Å; G20-F53 PolarHBondContact N-O 3.04Å; G20-F53 VanDerWaalsContact N-O 3.11Å; V33-F53 VanDerWaalsContact CG1-C 3.47Å; F53-T55 HydrophobicContact CD1-CG2 3.84Å; F53-T55 HydrophobicContact CE1-CG2 4.22Å; F53-T55 PolarHBondContact O-N 3.24Å; F53-R94 VanDerWaalsContact CE1-NH2 3.26Å; F53-I98 HydrophobicContact CE1-CD1 4.48Å; F53-I98 HydrophobicContact CE1-CG1 4Å; F53-M101 HydrophobicContact CE1-CE 4.37Å; F53-M101 HydrophobicContact CE2-CE 4.15Å; F53-M101 HydrophobicContact CE2-SD 4.14Å; F53-M101 HydrophobicContact CZ-CE 3.52Å; F53-M101 HydrophobicContact CZ-SD 4.11Å; F53-F102 HydrophobicContact CB-CZ 3.85Å; F53-F102 AromaticContact CD1-CE2 3.67Å; F53-F102 HydrophobicContact CD1-CE2 3.67Å; F53-F102 AromaticContact CD1-CZ 3.83Å; F53-F102 HydrophobicContact CD1-CZ 3.83Å; F53-F102 HydrophobicContact CD2-CE2 4.11Å; F53-F102 AromaticContact CD2-CZ 3.79Å; F53-F102 HydrophobicContact CD2-CZ 3.79Å; F53-F102 AromaticContact CE1-CE2 3.71Å; F53-F102 HydrophobicContact CE1-CE2 3.71Å; F53-F102 HydrophobicContact CE1-CZ 4.28Å; F53-F102 HydrophobicContact CE2-CE2 4.13Å; F53-F102 HydrophobicContact CE2-CZ 4.23Å; F53-F102 AromaticContact CG-CE2 3.86Å; F53-F102 HydrophobicContact CG-CE2 3.86Å; F53-F102 AromaticContact CG-CZ 3.55Å; F53-F102 HydrophobicContact CG-CZ 3.55Å; F53-F102 AromaticContact CZ-CE2 3.91Å; F53-F102 HydrophobicContact CZ-CE2 3.91Å; F53-F102 HydrophobicContact CZ-CZ 4.43Å
54I98.9Very high98.1Very high19 Ų1961.4 Ų61.410%0.09731%0.312CS..EExtended strand (participates in β ladder)trans-80.1114.1171.3-62.4-63.8000110G20 V33 M37 P57 V60 R94G20-I54 WeakPolarHBondContact O-CA 3.11Å; V33-I54 HydrophobicContact CB-CD1 3.9Å; V33-I54 HydrophobicContact CG1-CD1 3.55Å; V33-I54 HydrophobicContact CG1-CG1 3.89Å; M37-I54 HydrophobicContact SD-CG1 4.09Å; I54-P57 HydrophobicContact CG2-CB 4.23Å; I54-V60 HydrophobicContact CG2-CG2 3.98Å; I54-R94 PolarHBondContact O-NH2 2.75Å
55T98.8Very high98.1Very high0 Ų056.5 Ų56.50%029%0.289CS..SBendtrans-82.2-38.4-172.942.80000113.2F19 G20 G21 T22 F53 P57 R94 I98F19-T55 HydrophobicContact CB-CG2 3.63Å; F19-T55 HydrophobicContact CD1-CG2 3.81Å; F19-T55 HydrophobicContact CD2-CG2 3.39Å; F19-T55 HydrophobicContact CE1-CG2 4.28Å; F19-T55 HydrophobicContact CE2-CG2 3.9Å; F19-T55 HydrophobicContact CG-CG2 3.33Å; F19-T55 HydrophobicContact CZ-CG2 4.32Å; G20-T55 PolarHBondContact O-N 3.06Å; G20-T55 VanDerWaalsContact O-N 3.08Å; G20-T55 PolarHBondContact O-OG1 3.35Å; G21-T55 VanDerWaalsContact C-OG1 3.27Å; G21-T55 PolarHBondContact O-OG1 2.95Å; T22-T55 WeakPolarHBondContact CA-OG1 3.01Å; T22-T55 PolarHBondContact N-OG1 3.02Å; T22-T55 PolarHBondContact OG1-OG1 3.42Å; F53-T55 HydrophobicContact CD1-CG2 3.84Å; F53-T55 HydrophobicContact CE1-CG2 4.22Å; F53-T55 PolarHBondContact O-N 3.24Å; T55-P57 WeakPolarHBondContact O-CD 3.41Å; T55-R94 WeakPolarHBondContact O-CG 3.46Å; T55-R94 PolarHBondContact O-NE 3.28Å; T55-I98 HydrophobicContact CG2-CD1 3.95Å
56N98.8Very high98.2Very high0 Ų057.4 Ų57.40%029%0.292CS..  trans-119.574.7176.6-163.9-26.1000112.2G21 K58 A59 V60 L71 Y90 E91G21-N56 WeakPolarHBondContact O-CA 3.19Å; G21-N56 WeakPolarHBondContact O-CB 3.34Å; G21-N56 PolarHBondContact O-N 2.97Å; N56-K58 PolarHBondContact O-N 2.96Å; N56-A59 HydrophobicContact CB-CB 4.04Å; N56-A59 WeakPolarHBondContact ND2-CB 3.35Å; N56-A59 PolarHBondContact O-N 3.08Å; N56-A59 WeakPolarHBondContact OD1-CB 3.43Å; N56-A59 PolarHBondContact OD1-N 3.43Å; N56-V60 VanDerWaalsContact O-CG2 3.29Å; N56-V60 WeakPolarHBondContact O-CG2 3.32Å; N56-V60 PolarHBondContact O-N 2.92Å; N56-L71 HydrophobicContact CB-CD2 3.79Å; N56-Y90 VanDerWaalsContact OD1-CE1 3.27Å; N56-Y90 WeakPolarHBondContact OD1-CE1 3.41Å; N56-E91 WeakPolarHBondContact ND2-CG 3.45Å; N56-E91 PolarHBondContact ND2-OE1 3.02Å
57P98.8Very high98.4Very high54 Ų5450.8 Ų50.835%0.35127%0.267SS..Hα-helixtrans-61.6-36.7-173.622.8-32.6000113.8I54 T55 V60 E61 Y90I54-P57 HydrophobicContact CG2-CB 4.23Å; T55-P57 WeakPolarHBondContact O-CD 3.41Å; P57-V60 PolarHBondContact O-N 2.97Å; P57-E61 WeakPolarHBondContact O-CB 3.02Å; P57-E61 PolarHBondContact O-N 2.95Å; P57-Y90 WeakPolarHBondContact CD-OH 3.37Å
58K98.8Very high98.6Very high101 Ų10152.5 Ų52.544%0.43926%0.262SS..Hα-helixtrans-69.7-38.3178.1-66.2-175.4-172.6169.80112.4N56 V60 K62 V67 Y90N56-K58 PolarHBondContact O-N 2.96Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-K62 WeakPolarHBondContact O-CG 3.3Å; K58-K62 PolarHBondContact O-N 3.35Å; K58-V67 HydrophobicContact CB-CG2 3.83Å; K58-Y90 HydrophobicContact CB-CD1 4.3Å; K58-Y90 HydrophobicContact CB-CE1 3.56Å; K58-Y90 HydrophobicContact CD-CD1 4.02Å; K58-Y90 HydrophobicContact CD-CD2 3.78Å; K58-Y90 HydrophobicContact CD-CE1 3.77Å; K58-Y90 HydrophobicContact CD-CE2 3.52Å; K58-Y90 HydrophobicContact CD-CG 4.02Å; K58-Y90 VanDerWaalsContact CE-CE2 3.49Å; K58-Y90 HydrophobicContact CG-CE1 3.86Å; K58-Y90 HydrophobicContact CG-CE2 3.99Å; K58-Y90 PolarHBondContact N-OH 2.94Å
59A98.8Very high98.6Very high0 Ų053.9 Ų53.90%027%0.272CS..Hα-helixtrans-68.8-37.5175.800000111.2N56 K62 C63 V64 V67N56-A59 HydrophobicContact CB-CB 4.04Å; N56-A59 WeakPolarHBondContact ND2-CB 3.35Å; N56-A59 PolarHBondContact O-N 3.08Å; N56-A59 WeakPolarHBondContact OD1-CB 3.43Å; N56-A59 PolarHBondContact OD1-N 3.43Å; A59-K62 CarbonylContact O-C 3.46Å; A59-K62 PolarHBondContact O-N 3.27Å; A59-C63 PolarHBondContact O-N 3.04Å; A59-V64 HydrophobicContact CB-CG2 4.19Å; A59-V64 WeakPolarHBondContact CB-O 3.3Å; A59-V64 PolarHBondContact O-N 3.26Å; A59-V67 HydrophobicContact CB-CG2 4.3Å
60V98.9Very high98.6Very high30 Ų3049.1 Ų49.118%0.18225%0.25CC..Hα-helixtrans-60.9-48.3174.2169.10000111.3V30 I54 N56 P57 K58 K62 C63V30-V60 HydrophobicContact CG1-CG1 3.69Å; V30-V60 HydrophobicContact CG1-CG2 4.44Å; V30-V60 HydrophobicContact CG2-CG1 4.44Å; V30-V60 HydrophobicContact CG2-CG2 3.78Å; I54-V60 HydrophobicContact CG2-CG2 3.98Å; N56-V60 VanDerWaalsContact O-CG2 3.29Å; N56-V60 WeakPolarHBondContact O-CG2 3.32Å; N56-V60 PolarHBondContact O-N 2.92Å; P57-V60 PolarHBondContact O-N 2.97Å; K58-V60 VanDerWaalsContact C-N 3.35Å; V60-K62 PolarHBondContact O-N 2.73Å; V60-C63 PolarHBondContact O-N 2.82Å
61E98.8Very high98.6Very high162 Ų16247.7 Ų47.776%0.75724%0.242SC*.Hα-helixtrans-56.7-39.4178-177.4-178.6-173.100112.1P57P57-E61 WeakPolarHBondContact O-CB 3.02Å; P57-E61 PolarHBondContact O-N 2.95Å
62K98.7Very high98.6Very high127 Ų12744.7 Ų44.755%0.55223%0.23SC*.THydrogen-bonded Turntrans-84.8-5.7178.8-67.7-178.1-174.3-175.30114K58 A59 V60 V64K58-K62 WeakPolarHBondContact O-CG 3.3Å; K58-K62 PolarHBondContact O-N 3.35Å; A59-K62 CarbonylContact O-C 3.46Å; A59-K62 PolarHBondContact O-N 3.27Å; V60-K62 PolarHBondContact O-N 2.73Å; K62-V64 HydrophobicContact CB-CG1 4.27Å; K62-V64 HydrophobicContact CB-CG2 3.83Å; K62-V64 PolarHBondContact O-N 3.45Å
63C98.7Very high98.5Very high56 Ų5645.9 Ų45.938%0.37823%0.232SC..THydrogen-bonded Turntrans4846.3-170.5-160.30000112.8A59 V60A59-C63 PolarHBondContact O-N 3.04Å; V60-C63 PolarHBondContact O-N 2.82Å
64V98.8Very high98.4Very high55 Ų5544.7 Ų44.733%0.33323%0.227SC..SBendtrans-120161.7175.3-63.50000110.1G24 N25 A59 K62 Y66G24-V64 CarbonylContact C-O 3.59Å; G24-V64 VanDerWaalsContact C-O 3.3Å; G24-V64 WeakPolarHBondContact CA-O 3.21Å; G24-V64 PolarHBondContact N-O 3.08Å; N25-V64 PolarHBondContact N-O 3.11Å; A59-V64 HydrophobicContact CB-CG2 4.19Å; A59-V64 WeakPolarHBondContact CB-O 3.3Å; A59-V64 PolarHBondContact O-N 3.26Å; K62-V64 HydrophobicContact CB-CG1 4.27Å; K62-V64 HydrophobicContact CB-CG2 3.83Å; K62-V64 PolarHBondContact O-N 3.45Å; V64-Y66 VanDerWaalsContact CG2-O 3.31Å; V64-Y66 WeakPolarHBondContact CG2-O 3.31Å
65R98.8Very high98.4Very high20 Ų2043.8 Ų43.88%0.07522%0.222CC..SBendtrans-60.3-49.9179.2-169.1-175.3170.468.92.5111.6H23 G24 N25 E26 D70H23-R65 VanDerWaalsContact CA-O 3.26Å; H23-R65 WeakPolarHBondContact CA-O 3.48Å; H23-R65 HydrophobicContact CB-CG 3.85Å; H23-R65 VanDerWaalsContact CD2-CZ 3.44Å; H23-R65 PolarHBondContact CD2-NH2 3.36Å; H23-R65 PolarHBondContact CE1-NH2 2.9Å; H23-R65 VanDerWaalsContact CG-NH1 3.31Å; H23-R65 PolarHBondContact ND1-NH1 3.4Å; H23-R65 PolarHBondContact NE2-NH2 2.8Å; G24-R65 PolarHBondContact N-O 2.85Å; G24-R65 VanDerWaalsContact N-O 3.16Å; N25-R65 PolarHBondContact ND2-N 2.72Å; N25-R65 WeakPolarHBondContact OD1-CA 3.36Å; E26-R65 IonicContact OE1-NH1 3.18Å; E26-R65 PolarHBondContact OE1-NH1 3.23Å; E26-R65 VanDerWaalsContact OE1-NH1 3.07Å; R65-D70 IonicContact CZ-OD2 2.68Å; R65-D70 IonicContact NE-OD2 2.76Å; R65-D70 PolarHBondContact NE-OD2 2.98Å; R65-D70 IonicContact NH2-OD1 3.77Å; R65-D70 IonicContact NH2-OD2 2.99Å; R65-D70 PolarHBondContact NH2-OD2 2.96Å
66Y98.7Very high98.2Very high63 Ų6346.1 Ų46.125%0.24724%0.236CC..  trans-153.3166.7177.856.6-100000110V64 T69 D70 E292V64-Y66 VanDerWaalsContact CG2-O 3.31Å; V64-Y66 WeakPolarHBondContact CG2-O 3.31Å; Y66-T69 WeakPolarHBondContact CB-O 3.25Å; Y66-T69 VanDerWaalsContact CD2-C 3.48Å; Y66-T69 VanDerWaalsContact CG-C 3.49Å; Y66-D70 HydrophobicContact CD1-CB 3.95Å; Y66-D70 HydrophobicContact CE1-CB 4.17Å; Y66-E292 PolarHBondContact OH-OE1 3.41Å; Y66-E292 PolarHBondContact OH-OE2 3.13Å
67V98.5Very high98.1Very high43 Ų4352.9 Ų52.926%0.26127%0.268SS..SBendtrans-90.9-59.1177.9-174.80000111.1K58 A59 Y90 E91K58-V67 HydrophobicContact CB-CG2 3.83Å; A59-V67 HydrophobicContact CB-CG2 4.3Å; V67-Y90 HydrophobicContact CB-CD1 3.98Å; V67-Y90 HydrophobicContact CG2-CD1 3.94Å; V67-Y90 HydrophobicContact CG2-CE1 4.21Å; V67-E91 PolarHBondContact N-OE1 2.9Å
68D98.1Very high97.9Very high96 Ų9657.7 Ų57.751%0.51329%0.286SS..SBendtrans-111.7-43.1-176.5-61.5-29.6000112P89 Y90 E91D68-P89 HydrophobicContact CB-CB 3.9Å; D68-Y90 WeakPolarHBondContact OD2-CB 3.33Å; D68-Y90 PolarHBondContact OD2-N 3.07Å; D68-E91 PolarHBondContact N-OE2 3.46Å
69T97.4Very high97.8Very high52 Ų5255 Ų5532%0.31928%0.276SS..SBendtrans-149.5161.8177.3-169.90000111.8Y66 L71 P89 E91 V92Y66-T69 WeakPolarHBondContact CB-O 3.25Å; Y66-T69 VanDerWaalsContact CD2-C 3.48Å; Y66-T69 VanDerWaalsContact CG-C 3.49Å; T69-L71 PolarHBondContact O-N 3.17Å; T69-L71 VanDerWaalsContact O-N 3.07Å; T69-P89 HydrophobicContact CG2-CB 3.86Å; T69-E91 HydrophobicContact CG2-CB 3.86Å; T69-E91 PolarHBondContact N-OE2 2.98Å; T69-E91 VanDerWaalsContact N-OE2 3.07Å; T69-E91 VanDerWaalsContact O-CB 3.3Å; T69-E91 WeakPolarHBondContact O-CB 3.27Å; T69-E91 WeakPolarHBondContact O-CG 3.34Å; T69-V92 HydrophobicContact CG2-CG2 4.31Å
70D98.3Very high97.7Very high4 Ų456 Ų562%0.02128%0.282CS..  trans-65.5109.8-178.7-169.3-40.3000111.1H23 R65 Y66 N72 R73 K293H23-D70 IonicContact CD2-OD1 2.75Å; H23-D70 IonicContact NE2-OD1 3.15Å; H23-D70 PolarHBondContact NE2-OD1 3.45Å; R65-D70 IonicContact CZ-OD2 2.68Å; R65-D70 IonicContact NE-OD2 2.76Å; R65-D70 PolarHBondContact NE-OD2 2.98Å; R65-D70 IonicContact NH2-OD1 3.77Å; R65-D70 IonicContact NH2-OD2 2.99Å; R65-D70 PolarHBondContact NH2-OD2 2.96Å; Y66-D70 HydrophobicContact CD1-CB 3.95Å; Y66-D70 HydrophobicContact CE1-CB 4.17Å; D70-N72 PolarHBondContact O-N 3.26Å; D70-N72 VanDerWaalsContact O-N 3.14Å; D70-N72 WeakPolarHBondContact OD1-CB 3.49Å; D70-N72 PolarHBondContact OD1-N 2.96Å; D70-R73 HydrophobicContact CB-CB 4.36Å; D70-R73 HydrophobicContact CB-CG 3.81Å; D70-R73 WeakPolarHBondContact O-CB 3.06Å; D70-R73 PolarHBondContact O-N 2.77Å; D70-K293 WeakPolarHBondContact OD2-CE 3.35Å; D70-K293 IonicContact OD2-NZ 3.52Å; D70-K293 PolarHBondContact OD2-NZ 2.82Å
71L98.6Very high97.6Very high0 Ų058 Ų580%030%0.297CS..G310 helixtrans-54.2-35.9-179.8-17859.2000112T22 N56 T69 R73 A74 F75 E91 R94 A95 I98T22-L71 HydrophobicContact CG2-CD2 4.43Å; T22-L71 HydrophobicContact CG2-CG 4.49Å; N56-L71 HydrophobicContact CB-CD2 3.79Å; T69-L71 PolarHBondContact O-N 3.17Å; T69-L71 VanDerWaalsContact O-N 3.07Å; L71-R73 PolarHBondContact O-N 3.38Å; L71-R73 VanDerWaalsContact O-N 3.08Å; L71-A74 HydrophobicContact CD1-CB 4.47Å; L71-A74 WeakPolarHBondContact O-CB 3.47Å; L71-A74 PolarHBondContact O-N 2.72Å; L71-F75 HydrophobicContact CD1-CE2 3.8Å; L71-F75 HydrophobicContact CD1-CZ 4.25Å; L71-F75 HydrophobicContact CG-CE2 4.05Å; L71-F75 WeakPolarHBondContact O-CD2 3.28Å; L71-F75 VanDerWaalsContact O-CE2 3.29Å; L71-F75 WeakPolarHBondContact O-CE2 3.42Å; L71-E91 HydrophobicContact CB-CB 4.07Å; L71-E91 HydrophobicContact CB-CG 3.71Å; L71-E91 HydrophobicContact CD1-CB 3.98Å; L71-E91 HydrophobicContact CD1-CG 4.27Å; L71-E91 WeakPolarHBondContact CD1-O 3.47Å; L71-E91 HydrophobicContact CG-CG 4.5Å; L71-R94 HydrophobicContact CD1-CB 4.18Å; L71-R94 HydrophobicContact CD1-CG 4.27Å; L71-R94 HydrophobicContact CD2-CG 4.35Å; L71-A95 HydrophobicContact CD1-CB 4.19Å; L71-I98 HydrophobicContact CD2-CD1 4.21Å
72N97.9Very high97.4Very high10 Ų1051.7 Ų51.75%0.05327%0.272CS..G310 helixtrans-78.211.4-179.1-155.421.7000113.1T22 H23 D70 H118 T168 S169T22-N72 HydrophobicContact CG2-CB 3.77Å; H23-N72 WeakPolarHBondContact NE2-CB 3.45Å; D70-N72 PolarHBondContact O-N 3.26Å; D70-N72 VanDerWaalsContact O-N 3.14Å; D70-N72 WeakPolarHBondContact OD1-CB 3.49Å; D70-N72 PolarHBondContact OD1-N 2.96Å; N72-H118 PolarHBondContact ND2-CE1 2.94Å; N72-T168 WeakPolarHBondContact OD1-CA 3.4Å; N72-T168 WeakPolarHBondContact OD1-CB 3.37Å; N72-S169 PolarHBondContact OD1-N 2.89Å
73R96.7Very high97Very high44 Ų4452.4 Ų52.417%0.16629%0.288CS..G310 helixtrans-119.2-6.7168.9-54-63.6178-87.7-1.8112.2D70 L71 Y166 S167D70-R73 HydrophobicContact CB-CB 4.36Å; D70-R73 HydrophobicContact CB-CG 3.81Å; D70-R73 WeakPolarHBondContact O-CB 3.06Å; D70-R73 PolarHBondContact O-N 2.77Å; L71-R73 PolarHBondContact O-N 3.38Å; L71-R73 VanDerWaalsContact O-N 3.08Å; R73-Y166 VanDerWaalsContact CD-CE1 3.49Å; R73-Y166 VanDerWaalsContact CD-CG 3.41Å; R73-Y166 VanDerWaalsContact NE-CE2 3.28Å; R73-S167 CarbonylContact C-O 3.47Å
74A97.3Very high96.3Very high2 Ų251.1 Ų51.12%0.01728%0.284CS..  trans-87.6-3.8-166.100000114.9L71 T76 N79 V92 A95L71-A74 HydrophobicContact CD1-CB 4.47Å; L71-A74 WeakPolarHBondContact O-CB 3.47Å; L71-A74 PolarHBondContact O-N 2.72Å; A74-T76 VanDerWaalsContact C-N 3.28Å; A74-T76 PolarHBondContact O-N 2.88Å; A74-N79 WeakPolarHBondContact O-CB 3.36Å; A74-N79 PolarHBondContact O-ND2 3.21Å; A74-V92 HydrophobicContact CB-CG2 4.41Å; A74-A95 HydrophobicContact CB-CB 3.9Å
75F97.7Very high95.6Very high0 Ų050.5 Ų50.50%029%0.289CS..  trans-89.823.8-171.7-69.6-102.9000114L71 L80 A95 I98 S167 T168 V172L71-F75 HydrophobicContact CD1-CE2 3.8Å; L71-F75 HydrophobicContact CD1-CZ 4.25Å; L71-F75 HydrophobicContact CG-CE2 4.05Å; L71-F75 WeakPolarHBondContact O-CD2 3.28Å; L71-F75 VanDerWaalsContact O-CE2 3.29Å; L71-F75 WeakPolarHBondContact O-CE2 3.42Å; F75-L80 HydrophobicContact CD1-CD2 4.2Å; F75-L80 WeakPolarHBondContact O-CD1 3.44Å; F75-A95 HydrophobicContact CD1-CB 4.11Å; F75-A95 HydrophobicContact CD2-CB 3.97Å; F75-A95 HydrophobicContact CE1-CB 3.93Å; F75-A95 HydrophobicContact CE2-CB 3.75Å; F75-A95 HydrophobicContact CG-CB 4.14Å; F75-A95 HydrophobicContact CZ-CB 3.75Å; F75-I98 HydrophobicContact CE1-CB 3.92Å; F75-I98 HydrophobicContact CE1-CG2 3.68Å; F75-I98 HydrophobicContact CZ-CB 4Å; F75-I98 HydrophobicContact CZ-CD1 3.91Å; F75-I98 HydrophobicContact CZ-CG2 3.87Å; F75-S167 WeakPolarHBondContact CB-O 3.45Å; F75-S167 PolarHBondContact N-O 3.29Å; F75-S167 WeakPolarHBondContact O-CB 3.39Å; F75-S167 PolarHBondContact O-OG 2.92Å; F75-T168 WeakPolarHBondContact CB-O 3.46Å; F75-T168 WeakPolarHBondContact CG-O 3.37Å; F75-V172 HydrophobicContact CD1-CG2 3.4Å; F75-V172 VanDerWaalsContact CD1-CG2 3.4Å; F75-V172 HydrophobicContact CE1-CG2 3.58Å; F75-V172 HydrophobicContact CG-CG2 4.49Å
76T96.1Very high95Very high49 Ų4956.8 Ų56.830%0.30132%0.324SS..SBendtrans-66.8155.9177.261.40000110.2A74 E78 N79 L80 S167A74-T76 VanDerWaalsContact C-N 3.28Å; A74-T76 PolarHBondContact O-N 2.88Å; T76-E78 PolarHBondContact O-N 2.86Å; T76-N79 PolarHBondContact O-N 2.85Å; T76-N79 WeakPolarHBondContact OG1-CB 3.3Å; T76-N79 PolarHBondContact OG1-N 3Å; T76-N79 PolarHBondContact OG1-ND2 3.22Å; T76-L80 WeakPolarHBondContact O-CB 3.05Å; T76-L80 VanDerWaalsContact O-CG 3.26Å; T76-L80 WeakPolarHBondContact O-CG 3.38Å; T76-L80 PolarHBondContact O-N 3.25Å; T76-S167 PolarHBondContact N-OG 2.99Å
77Q94.9Very high94.7Very high143 Ų14362.4 Ų62.467%0.66835%0.352SS*.Hα-helixtrans-55.4-44177.2-177.959.642.600111.2L80 S81Q77-L80 PolarHBondContact O-N 3.45Å; Q77-S81 PolarHBondContact O-N 2.93Å; Q77-S81 PolarHBondContact O-OG 3.37Å
78E95.8Very high94.6Very high155 Ų15561.9 Ų61.972%0.72435%0.348SS*.Hα-helixtrans-54.5-54.3176.9-178.8177.4-173.600112.2T76 L80 S81 A82T76-E78 PolarHBondContact O-N 2.86Å; E78-L80 PolarHBondContact O-N 3.31Å; E78-S81 CarbonylContact O-C 3.58Å; E78-S81 PolarHBondContact O-N 3.34Å; E78-S81 PolarHBondContact O-OG 3.26Å; E78-A82 PolarHBondContact O-N 3.26Å
79N96.9Very high94.6Very high43 Ų4359.8 Ų59.823%0.2334%0.339CS..Hα-helixtrans-63.7-40.4179.3-77.1-10.8000112.3A74 T76 S81 A82 V92 Q96A74-N79 WeakPolarHBondContact O-CB 3.36Å; A74-N79 PolarHBondContact O-ND2 3.21Å; T76-N79 PolarHBondContact O-N 2.85Å; T76-N79 WeakPolarHBondContact OG1-CB 3.3Å; T76-N79 PolarHBondContact OG1-N 3Å; T76-N79 PolarHBondContact OG1-ND2 3.22Å; N79-S81 VanDerWaalsContact C-N 3.26Å; N79-S81 PolarHBondContact O-N 2.81Å; N79-A82 PolarHBondContact O-N 2.85Å; N79-V92 HydrophobicContact CB-CG1 4Å; N79-Q96 PolarHBondContact O-NE2 2.96Å
80L96.6Very high94.7Very high23 Ų2358.3 Ų58.312%0.1233%0.328CS..Hα-helixtrans-69-23.9-179.9-67.7179.9000112.9F75 T76 Q77 E78 A95 N99 K105F75-L80 HydrophobicContact CD1-CD2 4.2Å; F75-L80 WeakPolarHBondContact O-CD1 3.44Å; T76-L80 WeakPolarHBondContact O-CB 3.05Å; T76-L80 VanDerWaalsContact O-CG 3.26Å; T76-L80 WeakPolarHBondContact O-CG 3.38Å; T76-L80 PolarHBondContact O-N 3.25Å; Q77-L80 PolarHBondContact O-N 3.45Å; E78-L80 PolarHBondContact O-N 3.31Å; L80-A95 HydrophobicContact CD2-CB 4.14Å; L80-N99 HydrophobicContact CD1-CB 4.45Å; L80-N99 HydrophobicContact CD2-CB 3.72Å; L80-K105 HydrophobicContact CD1-CB 4.29Å; L80-K105 HydrophobicContact CD1-CD 4.22Å
81S95.4Very high94.7Very high70 Ų7058.1 Ų58.149%0.4933%0.327SS..Hα-helixtrans-102.3-0.6175.861.10000114.6Q77 E78 N79Q77-S81 PolarHBondContact O-N 2.93Å; Q77-S81 PolarHBondContact O-OG 3.37Å; E78-S81 CarbonylContact O-C 3.58Å; E78-S81 PolarHBondContact O-N 3.34Å; E78-S81 PolarHBondContact O-OG 3.26Å; N79-S81 VanDerWaalsContact C-N 3.26Å; N79-S81 PolarHBondContact O-N 2.81Å
82A95.1Very high94.7Very high30 Ų3058.4 Ų58.425%0.24833%0.329CS..  trans-64.2135.7-176.800000111.9E78 N79 L88 Q96E78-A82 PolarHBondContact O-N 3.26Å; N79-A82 PolarHBondContact O-N 2.85Å; A82-L88 HydrophobicContact CB-CD1 3.94Å; A82-L88 HydrophobicContact CB-CD2 3.97Å; A82-Q96 PolarHBondContact O-NE2 2.75Å
83T90.9Very high94.7Very high143 Ų14360 Ų6088%0.87734%0.336SS*.  trans-10110.8-173.252.40000114.5G85T83-G85 VanDerWaalsContact C-N 3.25Å; T83-G85 PolarHBondContact O-N 3.21Å
84G82.8Confident94.8Very high29 Ų2959.1 Ų59.130%0.29933%0.333SS..  trans-73.1-1.9-17400000116.5D86 E87G84-D86 PolarHBondContact O-N 2.77Å; G84-E87 WeakPolarHBondContact O-CB 3.26Å; G84-E87 PolarHBondContact O-N 3.01Å
85G85.4Confident94.8Very high42 Ų4259 Ų5943%0.43333%0.332SS..G310 helixtrans52.4-124.3177.600000112.9T83 E87 L88 Q93T83-G85 VanDerWaalsContact C-N 3.25Å; T83-G85 PolarHBondContact O-N 3.21Å; G85-E87 PolarHBondContact O-N 3.29Å; G85-L88 PolarHBondContact O-N 3.24Å; G85-Q93 PolarHBondContact O-NE2 3.3Å
86D86.3Confident94.9Very high151 Ų15160.3 Ų60.381%0.80734%0.338SS*.G310 helixtrans-71.5-13.2-178-65.6-24.5000114.1G84 L88 Q93G84-D86 PolarHBondContact O-N 2.77Å; D86-L88 VanDerWaalsContact C-N 3.32Å; D86-Q93 PolarHBondContact O-NE2 3.28Å
87E92.9Very high95Very high182 Ų18261.1 Ų61.185%0.8534%0.338SS*.G310 helixtrans-80.7-15.1176.8-59.8-177.116900112.7G84 G85G84-E87 WeakPolarHBondContact O-CB 3.26Å; G84-E87 PolarHBondContact O-N 3.01Å; G85-E87 PolarHBondContact O-N 3.29Å
88L96.4Very high95.2Very high31 Ų3154.3 Ų54.316%0.16231%0.306CS..SBendtrans-71.3149.3176.7-63.3173.9000110.4A82 G85 D86 Y90 V92 Q93A82-L88 HydrophobicContact CB-CD1 3.94Å; A82-L88 HydrophobicContact CB-CD2 3.97Å; G85-L88 PolarHBondContact O-N 3.24Å; D86-L88 VanDerWaalsContact C-N 3.32Å; L88-Y90 PolarHBondContact O-N 2.69Å; L88-V92 HydrophobicContact CB-CB 4.32Å; L88-V92 HydrophobicContact CB-CG1 4.19Å; L88-V92 HydrophobicContact CD1-CG1 4.06Å; L88-V92 HydrophobicContact CD2-CG1 4.49Å; L88-V92 HydrophobicContact CG-CG1 4.48Å; L88-Q93 HydrophobicContact CB-CG 3.9Å; L88-Q93 PolarHBondContact O-NE2 3.19Å
89P97.8Very high95.3Very high52 Ų5248 Ų4834%0.33828%0.278SS..  trans-50.8141.9169.9-25.533.8000111D68 T69 E91 V92 Q93D68-P89 HydrophobicContact CB-CB 3.9Å; T69-P89 HydrophobicContact CG2-CB 3.86Å; P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 2.93Å; P89-V92 HydrophobicContact CB-CB 4.44Å; P89-V92 HydrophobicContact CB-CG2 4.07Å; P89-V92 HydrophobicContact CG-CG2 4.13Å; P89-V92 WeakPolarHBondContact O-CA 3.42Å; P89-V92 WeakPolarHBondContact O-CB 3.45Å; P89-V92 PolarHBondContact O-N 2.91Å; P89-Q93 PolarHBondContact O-N 2.94Å; P89-Q93 VanDerWaalsContact O-N 3.17Å
90Y98.3Very high95.4Very high21 Ų2154 Ų548%0.08230%0.297CS..Hα-helixtrans-52-44.5-176.2165.9-113.4000112.5N56 P57 K58 V67 D68 L88 V92 Q93 R94N56-Y90 VanDerWaalsContact OD1-CE1 3.27Å; N56-Y90 WeakPolarHBondContact OD1-CE1 3.41Å; P57-Y90 WeakPolarHBondContact CD-OH 3.37Å; K58-Y90 HydrophobicContact CB-CD1 4.3Å; K58-Y90 HydrophobicContact CB-CE1 3.56Å; K58-Y90 HydrophobicContact CD-CD1 4.02Å; K58-Y90 HydrophobicContact CD-CD2 3.78Å; K58-Y90 HydrophobicContact CD-CE1 3.77Å; K58-Y90 HydrophobicContact CD-CE2 3.52Å; K58-Y90 HydrophobicContact CD-CG 4.02Å; K58-Y90 VanDerWaalsContact CE-CE2 3.49Å; K58-Y90 HydrophobicContact CG-CE1 3.86Å; K58-Y90 HydrophobicContact CG-CE2 3.99Å; K58-Y90 PolarHBondContact N-OH 2.94Å; V67-Y90 HydrophobicContact CB-CD1 3.98Å; V67-Y90 HydrophobicContact CG2-CD1 3.94Å; V67-Y90 HydrophobicContact CG2-CE1 4.21Å; D68-Y90 WeakPolarHBondContact OD2-CB 3.33Å; D68-Y90 PolarHBondContact OD2-N 3.07Å; L88-Y90 PolarHBondContact O-N 2.69Å; Y90-V92 VanDerWaalsContact C-N 3.29Å; Y90-V92 PolarHBondContact O-N 3.37Å; Y90-Q93 WeakPolarHBondContact O-CB 3.4Å; Y90-Q93 PolarHBondContact O-N 3.32Å; Y90-R94 WeakPolarHBondContact O-CB 3.31Å; Y90-R94 PolarHBondContact O-N 2.7Å
91E98.6Very high95.4Very high0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-67.5-25178.3-7781.9-171.700114.2N56 V67 D68 T69 L71 P89 R94 A95N56-E91 WeakPolarHBondContact ND2-CG 3.45Å; N56-E91 PolarHBondContact ND2-OE1 3.02Å; V67-E91 PolarHBondContact N-OE1 2.9Å; D68-E91 PolarHBondContact N-OE2 3.46Å; T69-E91 HydrophobicContact CG2-CB 3.86Å; T69-E91 PolarHBondContact N-OE2 2.98Å; T69-E91 VanDerWaalsContact N-OE2 3.07Å; T69-E91 VanDerWaalsContact O-CB 3.3Å; T69-E91 WeakPolarHBondContact O-CB 3.27Å; T69-E91 WeakPolarHBondContact O-CG 3.34Å; L71-E91 HydrophobicContact CB-CB 4.07Å; L71-E91 HydrophobicContact CB-CG 3.71Å; L71-E91 HydrophobicContact CD1-CB 3.98Å; L71-E91 HydrophobicContact CD1-CG 4.27Å; L71-E91 WeakPolarHBondContact CD1-O 3.47Å; L71-E91 HydrophobicContact CG-CG 4.5Å; P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 2.93Å; E91-R94 PolarHBondContact O-N 3.33Å; E91-A95 WeakPolarHBondContact O-CB 3.33Å; E91-A95 PolarHBondContact O-N 3.36Å
92V98.4Very high95.6Very high6 Ų652.8 Ų52.84%0.03628%0.284CS..Hα-helixtrans-70.4-45.7172.4173.30000110.2T69 A74 N79 L88 P89 Y90 R94 A95 Q96T69-V92 HydrophobicContact CG2-CG2 4.31Å; A74-V92 HydrophobicContact CB-CG2 4.41Å; N79-V92 HydrophobicContact CB-CG1 4Å; L88-V92 HydrophobicContact CB-CB 4.32Å; L88-V92 HydrophobicContact CB-CG1 4.19Å; L88-V92 HydrophobicContact CD1-CG1 4.06Å; L88-V92 HydrophobicContact CD2-CG1 4.49Å; L88-V92 HydrophobicContact CG-CG1 4.48Å; P89-V92 HydrophobicContact CB-CB 4.44Å; P89-V92 HydrophobicContact CB-CG2 4.07Å; P89-V92 HydrophobicContact CG-CG2 4.13Å; P89-V92 WeakPolarHBondContact O-CA 3.42Å; P89-V92 WeakPolarHBondContact O-CB 3.45Å; P89-V92 PolarHBondContact O-N 2.91Å; Y90-V92 VanDerWaalsContact C-N 3.29Å; Y90-V92 PolarHBondContact O-N 3.37Å; V92-R94 VanDerWaalsContact C-N 3.25Å; V92-R94 PolarHBondContact O-N 2.76Å; V92-A95 PolarHBondContact O-N 2.68Å; V92-Q96 WeakPolarHBondContact O-CG 3.45Å; V92-Q96 PolarHBondContact O-N 2.74Å
93Q98.3Very high95.7Very high44 Ų4451.6 Ų51.621%0.20628%0.275CS..Hα-helixtrans-58.5-43173.5-57.317830.800110.5G85 D86 L88 P89 Y90 A95 Q96 E97G85-Q93 PolarHBondContact O-NE2 3.3Å; D86-Q93 PolarHBondContact O-NE2 3.28Å; L88-Q93 HydrophobicContact CB-CG 3.9Å; L88-Q93 PolarHBondContact O-NE2 3.19Å; P89-Q93 PolarHBondContact O-N 2.94Å; P89-Q93 VanDerWaalsContact O-N 3.17Å; Y90-Q93 WeakPolarHBondContact O-CB 3.4Å; Y90-Q93 PolarHBondContact O-N 3.32Å; Q93-A95 PolarHBondContact O-N 2.91Å; Q93-Q96 WeakPolarHBondContact O-CB 3.13Å; Q93-Q96 PolarHBondContact O-N 3.26Å; Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 3.05Å
94R98.4Very high96Very high26 Ų2648 Ų4810%0.09825%0.253CS..Hα-helixtrans-65-38.7178.2-171.251.9175.1175.9-3.6112.7F53 I54 T55 L71 Y90 E91 V92 Q96 E97 I98F53-R94 VanDerWaalsContact CE1-NH2 3.26Å; I54-R94 PolarHBondContact O-NH2 2.75Å; T55-R94 WeakPolarHBondContact O-CG 3.46Å; T55-R94 PolarHBondContact O-NE 3.28Å; L71-R94 HydrophobicContact CD1-CB 4.18Å; L71-R94 HydrophobicContact CD1-CG 4.27Å; L71-R94 HydrophobicContact CD2-CG 4.35Å; Y90-R94 WeakPolarHBondContact O-CB 3.31Å; Y90-R94 PolarHBondContact O-N 2.7Å; E91-R94 PolarHBondContact O-N 3.33Å; V92-R94 VanDerWaalsContact C-N 3.25Å; V92-R94 PolarHBondContact O-N 2.76Å; R94-Q96 VanDerWaalsContact C-N 3.32Å; R94-Q96 PolarHBondContact O-N 3.16Å; R94-E97 VanDerWaalsContact CD-OE2 3.24Å; R94-E97 WeakPolarHBondContact CD-OE2 3.49Å; R94-E97 IonicContact CZ-OE2 3.16Å; R94-E97 IonicContact NE-OE2 2.88Å; R94-E97 IonicContact NH1-OE2 2.82Å; R94-E97 PolarHBondContact NH1-OE2 3.31Å; R94-E97 PolarHBondContact O-N 3.39Å; R94-I98 HydrophobicContact CG-CD1 4Å; R94-I98 VanDerWaalsContact O-CG1 3.3Å; R94-I98 WeakPolarHBondContact O-CG1 3.26Å; R94-I98 PolarHBondContact O-N 2.99Å
95A98.6Very high96.7Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-61.4-40.5173.600000111.7L71 A74 F75 L80 E91 V92 Q93 I98 N99L71-A95 HydrophobicContact CD1-CB 4.19Å; A74-A95 HydrophobicContact CB-CB 3.9Å; F75-A95 HydrophobicContact CD1-CB 4.11Å; F75-A95 HydrophobicContact CD2-CB 3.97Å; F75-A95 HydrophobicContact CE1-CB 3.93Å; F75-A95 HydrophobicContact CE2-CB 3.75Å; F75-A95 HydrophobicContact CG-CB 4.14Å; F75-A95 HydrophobicContact CZ-CB 3.75Å; L80-A95 HydrophobicContact CD2-CB 4.14Å; E91-A95 WeakPolarHBondContact O-CB 3.33Å; E91-A95 PolarHBondContact O-N 3.36Å; V92-A95 PolarHBondContact O-N 2.68Å; Q93-A95 PolarHBondContact O-N 2.91Å; A95-I98 PolarHBondContact O-N 2.94Å; A95-N99 VanDerWaalsContact O-CB 3.28Å; A95-N99 WeakPolarHBondContact O-CB 3.05Å; A95-N99 PolarHBondContact O-N 3.27Å
96Q98.4Very high97.1Very high26 Ų2651.8 Ų51.812%0.12127%0.273CS..Hα-helixtrans-63.2-43.5174.6-66179.2-3.100112.2N79 A82 V92 Q93 R94 N99 R100N79-Q96 PolarHBondContact O-NE2 2.96Å; A82-Q96 PolarHBondContact O-NE2 2.75Å; V92-Q96 WeakPolarHBondContact O-CG 3.45Å; V92-Q96 PolarHBondContact O-N 2.74Å; Q93-Q96 WeakPolarHBondContact O-CB 3.13Å; Q93-Q96 PolarHBondContact O-N 3.26Å; R94-Q96 VanDerWaalsContact C-N 3.32Å; R94-Q96 PolarHBondContact O-N 3.16Å; Q96-N99 PolarHBondContact O-N 3.46Å; Q96-R100 WeakPolarHBondContact O-CG 3.47Å; Q96-R100 PolarHBondContact O-N 2.63Å
97E98.3Very high97.6Very high67 Ų6746.1 Ų46.131%0.31325%0.246SC..Hα-helixtrans-60.4-47.9174.9-70.5174179.500112.4Q93 R94 N99 R100 M101Q93-E97 WeakPolarHBondContact O-CG 3.46Å; Q93-E97 PolarHBondContact O-N 3.05Å; R94-E97 VanDerWaalsContact CD-OE2 3.24Å; R94-E97 WeakPolarHBondContact CD-OE2 3.49Å; R94-E97 IonicContact CZ-OE2 3.16Å; R94-E97 IonicContact NE-OE2 2.88Å; R94-E97 IonicContact NH1-OE2 2.82Å; R94-E97 PolarHBondContact NH1-OE2 3.31Å; R94-E97 PolarHBondContact O-N 3.39Å; E97-N99 VanDerWaalsContact C-N 3.29Å; E97-N99 PolarHBondContact O-N 3.43Å; E97-R100 VanDerWaalsContact CG-NH2 3.3Å; E97-R100 PolarHBondContact O-N 2.97Å; E97-M101 HydrophobicContact CB-CE 4.07Å; E97-M101 WeakPolarHBondContact O-CE 3.38Å; E97-M101 PolarHBondContact O-N 2.86Å
98I98.8Very high97.7Very high0 Ų041.2 Ų41.20%024%0.236CC..Hα-helixtrans-60.1-43.7177.4-70.1167.1000109.6F19 F53 T55 L71 F75 R94 A95 R100 M101 F102F19-I98 HydrophobicContact CE2-CG2 3.9Å; F19-I98 HydrophobicContact CZ-CG2 3.87Å; F53-I98 HydrophobicContact CE1-CD1 4.48Å; F53-I98 HydrophobicContact CE1-CG1 4Å; T55-I98 HydrophobicContact CG2-CD1 3.95Å; L71-I98 HydrophobicContact CD2-CD1 4.21Å; F75-I98 HydrophobicContact CE1-CB 3.92Å; F75-I98 HydrophobicContact CE1-CG2 3.68Å; F75-I98 HydrophobicContact CZ-CB 4Å; F75-I98 HydrophobicContact CZ-CD1 3.91Å; F75-I98 HydrophobicContact CZ-CG2 3.87Å; R94-I98 HydrophobicContact CG-CD1 4Å; R94-I98 VanDerWaalsContact O-CG1 3.3Å; R94-I98 WeakPolarHBondContact O-CG1 3.26Å; R94-I98 PolarHBondContact O-N 2.99Å; A95-I98 PolarHBondContact O-N 2.94Å; I98-R100 VanDerWaalsContact C-N 3.32Å; I98-R100 PolarHBondContact O-N 3.14Å; I98-M101 PolarHBondContact O-N 3.49Å; I98-M101 VanDerWaalsContact O-N 3.16Å; I98-F102 HydrophobicContact CG2-CD2 3.91Å; I98-F102 WeakPolarHBondContact O-CB 3.15Å; I98-F102 WeakPolarHBondContact O-CD2 3.31Å; I98-F102 PolarHBondContact O-N 3.32Å
99N98.6Very high97.7Very high23 Ų2345.4 Ų45.412%0.12326%0.255CS..Hα-helixtrans-63.7-35.3177.7-168.448.7000112.8L80 A95 Q96 E97 G103 K105L80-N99 HydrophobicContact CD1-CB 4.45Å; L80-N99 HydrophobicContact CD2-CB 3.72Å; A95-N99 VanDerWaalsContact O-CB 3.28Å; A95-N99 WeakPolarHBondContact O-CB 3.05Å; A95-N99 PolarHBondContact O-N 3.27Å; Q96-N99 PolarHBondContact O-N 3.46Å; E97-N99 VanDerWaalsContact C-N 3.29Å; E97-N99 PolarHBondContact O-N 3.43Å; N99-G103 CarbonylContact O-C 3.57Å; N99-G103 WeakPolarHBondContact O-CA 3.45Å; N99-G103 PolarHBondContact O-N 3.07Å; N99-K105 WeakPolarHBondContact OD1-CB 3.42Å; N99-K105 PolarHBondContact OD1-N 3.38Å
100R98.2Very high97.8Very high169 Ų16943 Ų4364%0.63824%0.239SC*.Hα-helixtrans-67.7-36.7172.8-73.2-173.8-68.1-1083.9112.7Q96 E97 I98Q96-R100 WeakPolarHBondContact O-CG 3.47Å; Q96-R100 PolarHBondContact O-N 2.63Å; E97-R100 VanDerWaalsContact CG-NH2 3.3Å; E97-R100 PolarHBondContact O-N 2.97Å; I98-R100 VanDerWaalsContact C-N 3.32Å; I98-R100 PolarHBondContact O-N 3.14Å
101M98.3Very high97.8Very high66 Ų6642.3 Ų42.333%0.32524%0.236SC..Hα-helixtrans-81.6-38.7-177.3-76.1-176.5-77.800113.8F53 E97 I98F53-M101 HydrophobicContact CE1-CE 4.37Å; F53-M101 HydrophobicContact CE2-CE 4.15Å; F53-M101 HydrophobicContact CE2-SD 4.14Å; F53-M101 HydrophobicContact CZ-CE 3.52Å; F53-M101 HydrophobicContact CZ-SD 4.11Å; E97-M101 HydrophobicContact CB-CE 4.07Å; E97-M101 WeakPolarHBondContact O-CE 3.38Å; E97-M101 PolarHBondContact O-N 2.86Å; I98-M101 PolarHBondContact O-N 3.49Å; I98-M101 VanDerWaalsContact O-N 3.16Å
102F98.6Very high97.8Very high0 Ų043.3 Ų43.30%024%0.242CC..Hα-helixtrans-117.2-12.7-169.2-60.6-83.4000113.9A17 F19 K51 F53 I98 Y111 I114 V172A17-F102 HydrophobicContact CB-CD1 3.71Å; A17-F102 HydrophobicContact CB-CE1 3.61Å; F19-F102 AromaticContact CE1-CD1 3.95Å; F19-F102 HydrophobicContact CE1-CD1 3.95Å; F19-F102 AromaticContact CE1-CD2 3.94Å; F19-F102 HydrophobicContact CE1-CD2 3.94Å; F19-F102 AromaticContact CE1-CE1 3.77Å; F19-F102 HydrophobicContact CE1-CE1 3.77Å; F19-F102 AromaticContact CE1-CE2 3.77Å; F19-F102 HydrophobicContact CE1-CE2 3.77Å; F19-F102 HydrophobicContact CE1-CG 4.04Å; F19-F102 AromaticContact CE1-CZ 3.68Å; F19-F102 HydrophobicContact CE1-CZ 3.68Å; F19-F102 HydrophobicContact CZ-CB 4.26Å; F19-F102 HydrophobicContact CZ-CD1 4.08Å; F19-F102 AromaticContact CZ-CD2 3.64Å; F19-F102 HydrophobicContact CZ-CD2 3.64Å; F19-F102 HydrophobicContact CZ-CE1 4.32Å; F19-F102 AromaticContact CZ-CE2 3.92Å; F19-F102 HydrophobicContact CZ-CE2 3.92Å; F19-F102 AromaticContact CZ-CG 3.73Å; F19-F102 HydrophobicContact CZ-CG 3.73Å; F19-F102 HydrophobicContact CZ-CZ 4.25Å; K51-F102 HydrophobicContact CB-CE1 4.49Å; K51-F102 HydrophobicContact CD-CE1 3.77Å; K51-F102 HydrophobicContact CD-CZ 4.04Å; K51-F102 HydrophobicContact CG-CE1 4.2Å; K51-F102 HydrophobicContact CG-CZ 4.46Å; F53-F102 HydrophobicContact CB-CZ 3.85Å; F53-F102 AromaticContact CD1-CE2 3.67Å; F53-F102 HydrophobicContact CD1-CE2 3.67Å; F53-F102 AromaticContact CD1-CZ 3.83Å; F53-F102 HydrophobicContact CD1-CZ 3.83Å; F53-F102 HydrophobicContact CD2-CE2 4.11Å; F53-F102 AromaticContact CD2-CZ 3.79Å; F53-F102 HydrophobicContact CD2-CZ 3.79Å; F53-F102 AromaticContact CE1-CE2 3.71Å; F53-F102 HydrophobicContact CE1-CE2 3.71Å; F53-F102 HydrophobicContact CE1-CZ 4.28Å; F53-F102 HydrophobicContact CE2-CE2 4.13Å; F53-F102 HydrophobicContact CE2-CZ 4.23Å; F53-F102 AromaticContact CG-CE2 3.86Å; F53-F102 HydrophobicContact CG-CE2 3.86Å; F53-F102 AromaticContact CG-CZ 3.55Å; F53-F102 HydrophobicContact CG-CZ 3.55Å; F53-F102 AromaticContact CZ-CE2 3.91Å; F53-F102 HydrophobicContact CZ-CE2 3.91Å; F53-F102 HydrophobicContact CZ-CZ 4.43Å; I98-F102 HydrophobicContact CG2-CD2 3.91Å; I98-F102 WeakPolarHBondContact O-CB 3.15Å; I98-F102 WeakPolarHBondContact O-CD2 3.31Å; I98-F102 PolarHBondContact O-N 3.32Å; F102-Y111 VanDerWaalsContact CA-CD2 3.49Å; F102-Y111 HydrophobicContact CB-CD2 3.95Å; F102-Y111 HydrophobicContact CB-CE2 4.32Å; F102-Y111 HydrophobicContact CB-CG 4.44Å; F102-Y111 HydrophobicContact CD1-CD1 4.14Å; F102-Y111 AromaticContact CD1-CD2 3.78Å; F102-Y111 HydrophobicContact CD1-CD2 3.78Å; F102-Y111 HydrophobicContact CD1-CE1 4.03Å; F102-Y111 AromaticContact CD1-CE2 3.55Å; F102-Y111 HydrophobicContact CD1-CE2 3.55Å; F102-Y111 HydrophobicContact CD1-CG 4.05Å; F102-Y111 AromaticContact CD1-CZ 3.75Å; F102-Y111 HydrophobicContact CE1-CE1 4.33Å; F102-Y111 HydrophobicContact CE1-CE2 4.29Å; F102-Y111 HydrophobicContact CG-CD2 4.32Å; F102-Y111 HydrophobicContact CG-CE2 4.28Å; F102-Y111 WeakPolarHBondContact O-CD2 3.29Å; F102-Y111 PolarHBondContact O-N 3.35Å; F102-I114 HydrophobicContact CB-CD1 4.11Å; F102-V172 HydrophobicContact CB-CG1 4.23Å
103G97.5Very high97.8Very high6 Ų643 Ų436%0.06224%0.24CC..  trans-101.8-138.1174.900000111.1N99 V172N99-G103 CarbonylContact O-C 3.57Å; N99-G103 WeakPolarHBondContact O-CA 3.45Å; N99-G103 PolarHBondContact O-N 3.07Å; G103-V172 VanDerWaalsContact N-CG1 3.3Å
104P97.3Very high97.8Very high66 Ų6641 Ų4143%0.42923%0.231SC..  cis-62.1140.6-0.4-24.434.5000113.7G106 S107P104-G106 PolarHBondContact O-N 2.93Å; P104-S107 WeakPolarHBondContact CD-OG 3.39Å; P104-S107 WeakPolarHBondContact O-CB 3.36Å; P104-S107 PolarHBondContact O-N 2.69Å; P104-S107 PolarHBondContact O-OG 2.93Å
105K96.8Very high97.9Very high70 Ų7039.7 Ų39.730%0.30423%0.226SC..THydrogen-bonded Turntrans-53.9127.7178.4177.7168.8177173.90111.1L80 N99 S107 S167 S171 V172L80-K105 HydrophobicContact CD1-CB 4.29Å; L80-K105 HydrophobicContact CD1-CD 4.22Å; N99-K105 WeakPolarHBondContact OD1-CB 3.42Å; N99-K105 PolarHBondContact OD1-N 3.38Å; K105-S107 VanDerWaalsContact C-N 3.29Å; K105-S167 PolarHBondContact NZ-OG 3.16Å; K105-S171 WeakPolarHBondContact CD-O 3.39Å; K105-S171 VanDerWaalsContact CE-O 3.24Å; K105-S171 WeakPolarHBondContact CE-O 3.33Å; K105-S171 WeakPolarHBondContact CE-OG 3.1Å; K105-S171 WeakPolarHBondContact CG-O 3.47Å; K105-S171 PolarHBondContact NZ-OG 3.31Å; K105-V172 HydrophobicContact CB-CG2 4.49Å
106G94.8Very high97.9Very high82 Ų8239.7 Ų39.785%0.84523%0.226SC*.THydrogen-bonded Turntrans80.23.1-179.500000115P104P104-G106 PolarHBondContact O-N 2.93Å
107S96.7Very high97.9Very high32 Ų3238.6 Ų38.622%0.22422%0.221CC..SBendtrans-98.2166.3176.592.80000112.5P104 K105 E109 A110P104-S107 WeakPolarHBondContact CD-OG 3.39Å; P104-S107 WeakPolarHBondContact O-CB 3.36Å; P104-S107 PolarHBondContact O-N 2.69Å; P104-S107 PolarHBondContact O-OG 2.93Å; K105-S107 VanDerWaalsContact C-N 3.29Å; S107-E109 WeakPolarHBondContact CB-OE2 3.43Å; S107-E109 PolarHBondContact O-N 3.21Å; S107-E109 PolarHBondContact OG-N 2.94Å; S107-E109 PolarHBondContact OG-OE2 3.46Å; S107-A110 WeakPolarHBondContact O-CB 3.16Å; S107-A110 PolarHBondContact O-N 2.92Å
108A95.8Very high97.9Very high78 Ų7835.6 Ų35.665%0.64521%0.207SC*.THydrogen-bonded Turntrans-70.1-23.917800000112.8A110 K174A108-A110 VanDerWaalsContact C-N 3.32Å; A108-K174 WeakPolarHBondContact O-CE 3.24Å; A108-K174 PolarHBondContact O-NZ 3.05Å
109E96.4Very high97.9Very high119 Ų11935.9 Ų35.956%0.55621%0.208SC*.THydrogen-bonded Turntrans-79.2-11.8178.9-55.775.9-164.900113.4R15 S107R15-E109 PolarHBondContact NH1-O 3.47Å; S107-E109 WeakPolarHBondContact CB-OE2 3.43Å; S107-E109 PolarHBondContact O-N 3.21Å; S107-E109 PolarHBondContact OG-N 2.94Å; S107-E109 PolarHBondContact OG-OE2 3.46Å
110A98.2Very high97.9Very high2 Ų234.8 Ų34.82%0.01720%0.202CC..SBendtrans-56.4150.4174.600000111.8S107 A108 V172 K174S107-A110 WeakPolarHBondContact O-CB 3.16Å; S107-A110 PolarHBondContact O-N 2.92Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A110-V172 WeakPolarHBondContact CB-O 3.42Å; A110-K174 HydrophobicContact CB-CG 4.39Å; A110-K174 VanDerWaalsContact O-CE 3.3Å; A110-K174 WeakPolarHBondContact O-CE 3.44Å
111Y98.6Very high98Very high6 Ų628.5 Ų28.52%0.02418%0.183CC..  trans-55.3143.7170.6-91.1-117.5000110.3R15 A17 E49 K51 F102 A173 K174R15-Y111 VanDerWaalsContact C-CD1 3.47Å; R15-Y111 HydrophobicContact CB-CD1 3.68Å; R15-Y111 HydrophobicContact CB-CD2 4.48Å; R15-Y111 HydrophobicContact CB-CE1 3.88Å; R15-Y111 HydrophobicContact CB-CG 3.98Å; R15-Y111 WeakPolarHBondContact O-CD1 3.43Å; A17-Y111 HydrophobicContact CB-CD1 3.95Å; A17-Y111 HydrophobicContact CB-CE1 4.21Å; E49-Y111 PolarHBondContact OE1-OH 3.47Å; K51-Y111 HydrophobicContact CB-CE1 4.47Å; F102-Y111 VanDerWaalsContact CA-CD2 3.49Å; F102-Y111 HydrophobicContact CB-CD2 3.95Å; F102-Y111 HydrophobicContact CB-CE2 4.32Å; F102-Y111 HydrophobicContact CB-CG 4.44Å; F102-Y111 HydrophobicContact CD1-CD1 4.14Å; F102-Y111 AromaticContact CD1-CD2 3.78Å; F102-Y111 HydrophobicContact CD1-CD2 3.78Å; F102-Y111 HydrophobicContact CD1-CE1 4.03Å; F102-Y111 AromaticContact CD1-CE2 3.55Å; F102-Y111 HydrophobicContact CD1-CE2 3.55Å; F102-Y111 HydrophobicContact CD1-CG 4.05Å; F102-Y111 AromaticContact CD1-CZ 3.75Å; F102-Y111 HydrophobicContact CE1-CE1 4.33Å; F102-Y111 HydrophobicContact CE1-CE2 4.29Å; F102-Y111 HydrophobicContact CG-CD2 4.32Å; F102-Y111 HydrophobicContact CG-CE2 4.28Å; F102-Y111 WeakPolarHBondContact O-CD2 3.29Å; F102-Y111 PolarHBondContact O-N 3.35Å; Y111-A173 WeakPolarHBondContact O-CA 3.41Å; Y111-K174 PolarHBondContact O-N 3.47Å
112D98.6Very high98Very high22 Ų2225.3 Ų25.312%0.11817%0.167CC..SBendtrans-70.8-45.6-175.4-56.5-50.7000109.9A13 R14 R15 K174 H175A13-D112 HydrophobicContact CB-CB 3.85Å; R14-D112 PolarHBondContact N-OD2 2.92Å; R15-D112 PolarHBondContact N-OD2 3.05Å; R15-D112 PolarHBondContact O-N 3.48Å; D112-K174 IonicContact OD1-NZ 2.94Å; D112-K174 PolarHBondContact OD1-NZ 3.44Å; D112-H175 WeakPolarHBondContact O-CB 3.41Å; D112-H175 PolarHBondContact O-CD2 3.35Å; D112-H175 PolarHBondContact O-N 2.89Å
113V98.8Very high98Very high0 Ų028.5 Ų28.50%018%0.184CC..EExtended strand (participates in β ladder)trans-133.7135.2179-169.80000110.1A13 R15 V16 A17 F115 F137 M141 H175 I208A13-V113 HydrophobicContact CB-CG2 4.13Å; R15-V113 PolarHBondContact O-N 3.03Å; V16-V113 VanDerWaalsContact CA-O 3.31Å; V16-V113 WeakPolarHBondContact CA-O 3.35Å; V16-V113 HydrophobicContact CG1-CB 4.41Å; V16-V113 HydrophobicContact CG2-CB 4.32Å; A17-V113 PolarHBondContact N-O 2.92Å; V113-F115 HydrophobicContact CG1-CD1 4.49Å; V113-F115 HydrophobicContact CG1-CD2 4.2Å; V113-F115 HydrophobicContact CG1-CE1 4.03Å; V113-F115 HydrophobicContact CG1-CE2 3.71Å; V113-F115 HydrophobicContact CG1-CZ 3.63Å; V113-F137 HydrophobicContact CG2-CE1 4Å; V113-M141 HydrophobicContact CG1-CE 4.44Å; V113-H175 HydrophobicContact CG2-CB 4.23Å; V113-I208 HydrophobicContact CB-CD1 4.28Å; V113-I208 HydrophobicContact CG1-CD1 4.27Å; V113-I208 HydrophobicContact CG2-CD1 3.97Å
114I98.9Very high98.1Very high0 Ų028.3 Ų28.30%018%0.182CC..EExtended strand (participates in β ladder)trans-123.3119.4166.4-65.3175.7000108.3A17 F19 F102 R170 V172 A173 H175 V177A17-I114 HydrophobicContact CB-CG1 3.97Å; A17-I114 WeakPolarHBondContact O-CA 3.41Å; F19-I114 HydrophobicContact CD1-CG2 4.19Å; F19-I114 HydrophobicContact CD2-CG2 3.5Å; F19-I114 VanDerWaalsContact CD2-CG2 3.5Å; F19-I114 HydrophobicContact CE1-CG2 4.29Å; F19-I114 HydrophobicContact CE2-CD1 3.96Å; F19-I114 HydrophobicContact CE2-CG2 3.63Å; F19-I114 HydrophobicContact CG-CG2 3.81Å; F19-I114 HydrophobicContact CZ-CD1 3.82Å; F19-I114 HydrophobicContact CZ-CG1 4.48Å; F19-I114 HydrophobicContact CZ-CG2 4.03Å; F102-I114 HydrophobicContact CB-CD1 4.11Å; I114-R170 HydrophobicContact CB-CB 4.32Å; I114-R170 HydrophobicContact CG2-CB 3.94Å; I114-V172 HydrophobicContact CD1-CB 4.23Å; I114-A173 HydrophobicContact CB-CB 3.76Å; I114-A173 HydrophobicContact CD1-CB 3.75Å; I114-A173 HydrophobicContact CG1-CB 3.54Å; I114-H175 PolarHBondContact N-O 3.03Å; I114-V177 PolarHBondContact O-N 2.98Å
115F98.9Very high98.1Very high0 Ų026.5 Ų26.50%018%0.175CC..EExtended strand (participates in β ladder)trans-91.3119.9167-62.4-68.8000108.6V16 A17 I18 F19 V113 M141 V177 M179 L201 A204 L205 I208V16-F115 HydrophobicContact CG1-CD2 3.81Å; V16-F115 HydrophobicContact CG1-CE2 3.74Å; A17-F115 PolarHBondContact O-N 3.36Å; I18-F115 CarbonylContact C-O 3.53Å; I18-F115 WeakPolarHBondContact CA-O 3.41Å; F19-F115 PolarHBondContact N-O 3.34Å; V113-F115 HydrophobicContact CG1-CD1 4.49Å; V113-F115 HydrophobicContact CG1-CD2 4.2Å; V113-F115 HydrophobicContact CG1-CE1 4.03Å; V113-F115 HydrophobicContact CG1-CE2 3.71Å; V113-F115 HydrophobicContact CG1-CZ 3.63Å; F115-M141 HydrophobicContact CE1-SD 3.64Å; F115-M141 HydrophobicContact CZ-CE 4.18Å; F115-M141 HydrophobicContact CZ-SD 3.7Å; F115-V177 WeakPolarHBondContact CA-O 3.46Å; F115-V177 HydrophobicContact CD1-CB 3.67Å; F115-V177 HydrophobicContact CD1-CG1 3.84Å; F115-V177 HydrophobicContact CD1-CG2 4.28Å; F115-V177 HydrophobicContact CE1-CB 3.9Å; F115-V177 HydrophobicContact CE1-CG1 4.02Å; F115-V177 HydrophobicContact CE1-CG2 4.02Å; F115-M179 HydrophobicContact CB-CE 4.46Å; F115-M179 HydrophobicContact CB-SD 4.48Å; F115-M179 HydrophobicContact CD1-CE 3.25Å; F115-M179 HydrophobicContact CD1-SD 4.24Å; F115-M179 HydrophobicContact CE1-CE 3.59Å; F115-M179 HydrophobicContact CG-CE 3.98Å; F115-L201 HydrophobicContact CB-CD1 3.82Å; F115-L201 HydrophobicContact CD1-CD1 4.21Å; F115-L201 HydrophobicContact CD2-CD1 3.61Å; F115-L201 HydrophobicContact CE2-CD1 4.21Å; F115-L201 HydrophobicContact CG-CD1 3.6Å; F115-A204 HydrophobicContact CD1-CB 4.45Å; F115-A204 HydrophobicContact CE1-CB 3.59Å; F115-A204 HydrophobicContact CE2-CB 4.32Å; F115-A204 HydrophobicContact CZ-CB 3.49Å; F115-A204 VanDerWaalsContact CZ-CB 3.49Å; F115-L205 HydrophobicContact CE2-CD2 4.08Å; F115-I208 HydrophobicContact CE2-CD1 3.78Å; F115-I208 HydrophobicContact CZ-CD1 3.8Å
116D98.9Very high98.2Very high0 Ų024 Ų240%017%0.166CC..EExtended strand (participates in β ladder)trans-116.8115.5-179.7177.839.7000109F19 T22 H118 S169 R170 V177 G178 M179F19-D116 HydrophobicContact CB-CB 4.15Å; T22-D116 WeakPolarHBondContact CB-OD1 3.47Å; T22-D116 PolarHBondContact OG1-OD1 2.91Å; D116-H118 PolarHBondContact O-CD2 3.42Å; D116-H118 VanDerWaalsContact O-CD2 3.31Å; D116-H118 IonicContact OD1-NE2 3.92Å; D116-H118 PolarHBondContact OD1-NE2 2.91Å; D116-H118 IonicContact OD2-CD2 3.76Å; D116-H118 IonicContact OD2-CE1 2.69Å; D116-H118 IonicContact OD2-NE2 2.89Å; D116-H118 PolarHBondContact OD2-NE2 3.08Å; D116-S169 VanDerWaalsContact CG-OG 3.29Å; D116-S169 PolarHBondContact OD1-OG 2.68Å; D116-S169 PolarHBondContact OD2-OG 3.21Å; D116-R170 HydrophobicContact CB-CB 3.74Å; D116-R170 HydrophobicContact CB-CG 4.23Å; D116-R170 IonicContact OD2-NH1 3.82Å; D116-R170 PolarHBondContact OD2-NH1 3.26Å; D116-V177 PolarHBondContact N-O 3.25Å; D116-G178 WeakPolarHBondContact O-CA 3.48Å; D116-M179 PolarHBondContact O-N 3.06Å
117L98.9Very high98.4Very high2 Ų220.1 Ų20.11%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-93.3121.8-166.8-54.5-176000110.3I18 F19 L32 V33 W36 M179 M197I18-L117 HydrophobicContact CG2-CD1 3.86Å; I18-L117 HydrophobicContact CG2-CG 4.23Å; F19-L117 WeakPolarHBondContact O-CB 3.49Å; F19-L117 VanDerWaalsContact O-CG 3.31Å; F19-L117 WeakPolarHBondContact O-CG 3.23Å; F19-L117 PolarHBondContact O-N 3.32Å; L32-L117 HydrophobicContact CB-CD1 4.5Å; L32-L117 HydrophobicContact CD1-CD1 4.37Å; V33-L117 HydrophobicContact CG2-CD1 4.37Å; W36-L117 HydrophobicContact CZ3-CD1 4.26Å; L117-M179 HydrophobicContact CD2-CB 3.79Å; L117-M179 HydrophobicContact CD2-CG 4.16Å; L117-M179 HydrophobicContact CD2-SD 3.64Å; L117-M197 HydrophobicContact CB-CE 4.29Å; L117-M197 HydrophobicContact CB-SD 3.78Å; L117-M197 HydrophobicContact CD1-CG 4.48Å; L117-M197 HydrophobicContact CD1-SD 3.98Å; L117-M197 HydrophobicContact CD2-CG 4.19Å; L117-M197 HydrophobicContact CD2-SD 4.26Å; L117-M197 HydrophobicContact CG-SD 4.21Å
118H98.9Very high98.5Very high5 Ų518.6 Ų18.62%0.02312%0.115CC..EExtended strand (participates in β ladder)trans-124.6154.9-178.3-66.6-94.3000111.6H23 E26 N72 D116 M179 E180 V181 M197H23-H118 AromaticContact CE1-CE1 3.37Å; H23-H118 PolarHBondContact CE1-CE1 2.6Å; H23-H118 AromaticContact CE1-ND1 3.21Å; H23-H118 PolarHBondContact CE1-ND1 3.29Å; H23-H118 AromaticContact ND1-CE1 3.67Å; H23-H118 AromaticContact ND1-ND1 3.24Å; H23-H118 PolarHBondContact ND1-ND1 3.21Å; E26-H118 WeakPolarHBondContact OE2-CA 3.44Å; E26-H118 WeakPolarHBondContact OE2-CB 3.5Å; E26-H118 IonicContact OE2-CG 3.73Å; E26-H118 IonicContact OE2-ND1 3.38Å; E26-H118 PolarHBondContact OE2-ND1 3.46Å; N72-H118 PolarHBondContact ND2-CE1 2.94Å; D116-H118 PolarHBondContact O-CD2 3.42Å; D116-H118 VanDerWaalsContact O-CD2 3.31Å; D116-H118 IonicContact OD1-NE2 3.92Å; D116-H118 PolarHBondContact OD1-NE2 2.91Å; D116-H118 IonicContact OD2-CD2 3.76Å; D116-H118 IonicContact OD2-CE1 2.69Å; D116-H118 IonicContact OD2-NE2 2.89Å; D116-H118 PolarHBondContact OD2-NE2 3.08Å; H118-M179 PolarHBondContact N-O 3.21Å; H118-E180 VanDerWaalsContact C-OE1 3.26Å; H118-E180 WeakPolarHBondContact CB-OE2 3.38Å; H118-V181 PolarHBondContact O-N 2.93Å; H118-M197 WeakPolarHBondContact O-CE 3.34Å
119N98.9Very high98.6Very high5 Ų515.4 Ų15.43%0.0279%0.087CC..EExtended strand (participates in β ladder)trans-122.9147.6164.9-63.9122.3000110.3E26 M27 S28 E180 V181 Q184 I193E26-N119 HydrophobicContact CB-CB 3.95Å; E26-N119 HydrophobicContact CG-CB 4.09Å; E26-N119 WeakPolarHBondContact CG-O 3.19Å; E26-N119 PolarHBondContact OE2-N 3.44Å; M27-N119 PolarHBondContact N-OD1 3.39Å; S28-N119 VanDerWaalsContact CB-OD1 3.29Å; S28-N119 WeakPolarHBondContact CB-OD1 3.41Å; S28-N119 PolarHBondContact N-OD1 3.47Å; S28-N119 PolarHBondContact OG-ND2 3.01Å; S28-N119 PolarHBondContact OG-OD1 3.19Å; N119-E180 WeakPolarHBondContact CA-OE1 3.41Å; N119-E180 PolarHBondContact N-OE1 2.89Å; N119-V181 PolarHBondContact ND2-O 3.46Å; N119-Q184 HydrophobicContact CB-CB 4.38Å; N119-Q184 PolarHBondContact OD1-NE2 3.06Å; N119-I193 WeakPolarHBondContact ND2-CG2 3.37Å
120T98.9Very high98.6Very high1 Ų19.8 Ų9.81%0.0066%0.061CC..  trans-125.3145.7177.8174.80000109.5S122 M124 E180 G182 P183 Q184 E287T120-S122 VanDerWaalsContact OG1-CB 3.26Å; T120-S122 WeakPolarHBondContact OG1-CB 3.45Å; T120-S122 PolarHBondContact OG1-N 2.76Å; T120-S122 PolarHBondContact OG1-OG 2.85Å; T120-S122 VanDerWaalsContact OG1-OG 3.12Å; T120-M124 HydrophobicContact CG2-CB 4.05Å; T120-M124 HydrophobicContact CG2-CG 4.21Å; T120-M124 HydrophobicContact CG2-SD 3.98Å; T120-E180 WeakPolarHBondContact CB-OE1 3.37Å; T120-E180 HydrophobicContact CG2-CG 3.82Å; T120-E180 WeakPolarHBondContact CG2-OE1 3.46Å; T120-E180 PolarHBondContact N-OE1 3.25Å; T120-G182 WeakPolarHBondContact O-CA 3.39Å; T120-P183 CarbonylContact O-C 3.53Å; T120-P183 WeakPolarHBondContact O-CA 3.49Å; T120-Q184 PolarHBondContact O-N 3.06Å; T120-E287 WeakPolarHBondContact CA-OE2 3.32Å; T120-E287 PolarHBondContact OG1-OE2 3.13Å
121T98.9Very high98.5Very high36 Ų3611.7 Ų11.722%0.2217%0.069CC..SBendtrans-74.6-14.9169.565.50000111.8P183 Q186 N286 E287 A288T121-P183 WeakPolarHBondContact O-CB 3.49Å; T121-Q186 HydrophobicContact CG2-CG 4.25Å; T121-N286 PolarHBondContact OG1-O 2.96Å; T121-N286 VanDerWaalsContact OG1-O 3.14Å; T121-E287 PolarHBondContact N-OE2 3.4Å; T121-E287 WeakPolarHBondContact OG1-CA 3.24Å; T121-E287 PolarHBondContact OG1-OE2 3.42Å; T121-A288 HydrophobicContact CG2-CB 3.84Å; T121-A288 PolarHBondContact OG1-N 2.55Å
122S98.9Very high98.3Very high0 Ų013.2 Ų13.20%08%0.081CC..SBendtrans-74154.9178.7-46.60000111.6T120 M124 P183 F284 I285 E287T120-S122 VanDerWaalsContact OG1-CB 3.26Å; T120-S122 WeakPolarHBondContact OG1-CB 3.45Å; T120-S122 PolarHBondContact OG1-N 2.76Å; T120-S122 PolarHBondContact OG1-OG 2.85Å; T120-S122 VanDerWaalsContact OG1-OG 3.12Å; S122-M124 PolarHBondContact O-N 2.74Å; S122-P183 VanDerWaalsContact O-CA 3.24Å; S122-P183 WeakPolarHBondContact O-CA 3.46Å; S122-P183 WeakPolarHBondContact O-CB 3.48Å; S122-F284 VanDerWaalsContact OG-CA 3.23Å; S122-F284 WeakPolarHBondContact OG-CA 3.24Å; S122-I285 WeakPolarHBondContact CB-O 3.4Å; S122-I285 PolarHBondContact OG-N 3.18Å; S122-I285 PolarHBondContact OG-O 3.27Å; S122-I285 VanDerWaalsContact OG-O 3.08Å; S122-E287 PolarHBondContact OG-N 3.44Å
123N98.8Very high98.2Very high66 Ų6613.6 Ų13.635%0.3539%0.085SC..SBendtrans-81.445-177.5-170.334.1000112.7G125 P183 D251 D253N123-G125 VanDerWaalsContact C-N 3.26Å; N123-G125 PolarHBondContact O-N 3.03Å; N123-P183 HydrophobicContact CB-CG 4.4Å; N123-P183 VanDerWaalsContact OD1-CD 3.3Å; N123-P183 WeakPolarHBondContact OD1-CD 3.43Å; N123-D251 HydrophobicContact CB-CB 3.78Å; N123-D251 PolarHBondContact ND2-O 2.82Å; N123-D253 WeakPolarHBondContact CA-OD2 3.38Å; N123-D253 PolarHBondContact N-OD2 3.15Å
124M98.6Very high98Very high3 Ų322.1 Ų22.12%0.01512%0.122CC..  trans-73.6-16.1-174.2-71.9-178.167.500113.9T120 S122 T127 E180 D253 W254 F284T120-M124 HydrophobicContact CG2-CB 4.05Å; T120-M124 HydrophobicContact CG2-CG 4.21Å; T120-M124 HydrophobicContact CG2-SD 3.98Å; S122-M124 PolarHBondContact O-N 2.74Å; M124-T127 HydrophobicContact CE-CG2 3.89Å; M124-T127 PolarHBondContact O-OG1 3.36Å; M124-E180 HydrophobicContact CE-CG 4.33Å; M124-E180 HydrophobicContact SD-CG 4.31Å; M124-D253 HydrophobicContact CG-CB 4.26Å; M124-D253 WeakPolarHBondContact CG-OD1 3.49Å; M124-W254 HydrophobicContact CB-CZ2 4.2Å; M124-W254 HydrophobicContact CE-CH2 3.81Å; M124-W254 HydrophobicContact CE-CZ2 3.49Å; M124-W254 VanDerWaalsContact CE-CZ2 3.49Å; M124-W254 HydrophobicContact CG-CZ2 4.32Å; M124-W254 PolarHBondContact O-NE1 3.22Å; M124-F284 HydrophobicContact CE-CD2 3.89Å; M124-F284 HydrophobicContact CE-CE1 4.23Å; M124-F284 HydrophobicContact CE-CE2 3.6Å; M124-F284 HydrophobicContact CE-CG 4.33Å; M124-F284 HydrophobicContact CE-CZ 3.77Å; M124-F284 HydrophobicContact SD-CB 4.24Å; M124-F284 HydrophobicContact SD-CD1 3.36Å; M124-F284 WeakPolarHBondContact SD-CD1 3.42Å; M124-F284 HydrophobicContact SD-CD2 3.62Å; M124-F284 HydrophobicContact SD-CE1 3.44Å; M124-F284 WeakPolarHBondContact SD-CE1 3.42Å; M124-F284 HydrophobicContact SD-CE2 3.71Å; M124-F284 HydrophobicContact SD-CG 3.44Å; M124-F284 WeakPolarHBondContact SD-CG 3.18Å; M124-F284 HydrophobicContact SD-CZ 3.61Å
125G98.6Very high97.9Very high28 Ų2823.1 Ų23.129%0.28913%0.128SC..EExtended strand (participates in β ladder)trans61.4-151.2-171.600000111.7N123 T127 V181 G182N123-G125 VanDerWaalsContact C-N 3.26Å; N123-G125 PolarHBondContact O-N 3.03Å; G125-T127 PolarHBondContact O-N 3.04Å; G125-V181 WeakPolarHBondContact O-CA 3.47Å; G125-G182 WeakPolarHBondContact CA-O 3.48Å; G125-G182 PolarHBondContact N-O 2.86Å; G125-G182 VanDerWaalsContact N-O 3.08Å; G125-G182 PolarHBondContact O-N 3.45Å
126C98.7Very high97.8Very high17 Ų1723.6 Ų23.612%0.11513%0.132CC..EExtended strand (participates in β ladder)trans-78.1118.6178-63.10000110.8F149 S153 C154 L155 I200C126-F149 HydrophobicContact CB-CE1 4.08Å; C126-S153 WeakPolarHBondContact CB-O 3.29Å; C126-C154 HydrophobicContact CB-CB 4.31Å; C126-C154 CarbonylContact O-C 3.57Å; C126-C154 WeakPolarHBondContact O-CA 3.35Å; C126-L155 PolarHBondContact O-N 2.78Å; C126-I200 HydrophobicContact CB-CD1 3.58Å
127T98.8Very high97.7Very high1 Ų123.7 Ų23.71%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-133.4135.9-174.8-56.50000112.1M124 G125 I129 L155 L157 E180 W254M124-T127 HydrophobicContact CE-CG2 3.89Å; M124-T127 PolarHBondContact O-OG1 3.36Å; G125-T127 PolarHBondContact O-N 3.04Å; T127-I129 HydrophobicContact CG2-CG1 4.36Å; T127-L155 CarbonylContact C-O 3.54Å; T127-L155 WeakPolarHBondContact CA-O 3.3Å; T127-L157 HydrophobicContact CG2-CB 4.05Å; T127-E180 WeakPolarHBondContact CA-O 3.39Å; T127-E180 WeakPolarHBondContact CB-O 3.47Å; T127-E180 PolarHBondContact N-O 2.93Å; T127-E180 PolarHBondContact O-N 2.93Å; T127-W254 HydrophobicContact CG2-CH2 3.87Å; T127-W254 HydrophobicContact CG2-CZ2 3.87Å; T127-W254 WeakPolarHBondContact OG1-CZ2 3.44Å
128L98.8Very high97.7Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-104.9126.9169.1-64.9161.7000108.6M142 I145 L155 V156 L157 V177 G178 M179 I200L128-M142 HydrophobicContact CB-SD 3.91Å; L128-M142 HydrophobicContact CD1-CB 4.37Å; L128-M142 HydrophobicContact CD1-CG 4.36Å; L128-M142 HydrophobicContact CD1-SD 3.62Å; L128-M142 HydrophobicContact CD2-SD 4.22Å; L128-M142 HydrophobicContact CG-SD 4.11Å; L128-I145 HydrophobicContact CD1-CB 4.15Å; L128-I145 HydrophobicContact CD1-CD1 3.98Å; L128-I145 HydrophobicContact CD1-CG2 3.94Å; L128-I145 HydrophobicContact CD2-CD1 4.25Å; L128-L155 PolarHBondContact N-O 3.46Å; L128-V156 HydrophobicContact CB-CG2 4.44Å; L128-V156 CarbonylContact O-C 3.55Å; L128-V156 VanDerWaalsContact O-CA 3.31Å; L128-V156 WeakPolarHBondContact O-CA 3.31Å; L128-L157 PolarHBondContact O-N 3.46Å; L128-V177 HydrophobicContact CD2-CG1 4.2Å; L128-G178 CarbonylContact C-O 3.57Å; L128-G178 WeakPolarHBondContact CA-O 3.46Å; L128-M179 HydrophobicContact CD2-CE 4.33Å; L128-M179 HydrophobicContact CD2-CG 3.98Å; L128-I200 HydrophobicContact CD2-CG2 3.97Å
129I98.4Very high97.6Very high11 Ų1123.5 Ų23.56%0.05613%0.132CC..EExtended strand (participates in β ladder)trans-101.9115.9179.1-52.8-179.8000109T127 L157 N159 G178 E180 F284T127-I129 HydrophobicContact CG2-CG1 4.36Å; I129-L157 WeakPolarHBondContact CA-O 3.35Å; I129-L157 HydrophobicContact CG1-CB 4.39Å; I129-L157 HydrophobicContact CG1-CD2 4.44Å; I129-N159 HydrophobicContact CG2-CB 4.49Å; I129-G178 PolarHBondContact N-O 3.33Å; I129-G178 PolarHBondContact O-N 3.36Å; I129-G178 VanDerWaalsContact O-N 3.12Å; I129-E180 HydrophobicContact CD1-CB 3.94Å; I129-E180 HydrophobicContact CG1-CB 4.27Å; I129-F284 HydrophobicContact CD1-CZ 4.17Å
130L96.8Very high97.6Very high1 Ų123.4 Ų23.41%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-101.4135.6177.1-175.264.1000110.1S132 N138 L139 M142 V156 L157 L158 N159L130-S132 WeakPolarHBondContact CD2-O 3.41Å; L130-S132 WeakPolarHBondContact CG-O 3.01Å; L130-N138 HydrophobicContact CD1-CB 3.68Å; L130-L139 HydrophobicContact CD2-CD2 3.52Å; L130-L139 HydrophobicContact CD2-CG 4.1Å; L130-M142 HydrophobicContact CD1-CE 4.37Å; L130-V156 HydrophobicContact CB-CG1 4.23Å; L130-L157 PolarHBondContact N-O 3.43Å; L130-L158 HydrophobicContact CB-CD1 4.15Å; L130-L158 HydrophobicContact CD2-CD1 4.04Å; L130-L158 HydrophobicContact CG-CD1 3.97Å; L130-L158 WeakPolarHBondContact O-CA 3.41Å; L130-N159 PolarHBondContact O-N 2.94Å
131E94.5Very high97.6Very high41 Ų4123.3 Ų23.319%0.19213%0.131CC..SBendtrans-98.3-15.4-178.5-62.4-171.2169.700113.5T168 R170 P176E131-T168 WeakPolarHBondContact OE1-CG2 3.29Å; E131-T168 PolarHBondContact OE1-OG1 3.29Å; E131-R170 IonicContact OE1-CZ 3.07Å; E131-R170 VanDerWaalsContact OE1-CZ 3.3Å; E131-R170 IonicContact OE1-NE 3.76Å; E131-R170 PolarHBondContact OE1-NE 2.94Å; E131-R170 IonicContact OE1-NH2 3.17Å; E131-R170 PolarHBondContact OE1-NH2 2.78Å; E131-R170 VanDerWaalsContact OE1-NH2 3.16Å; E131-P176 HydrophobicContact CB-CG 4.36Å; E131-P176 HydrophobicContact CG-CG 4.43Å
132S94.9Very high97.6Very high38 Ų3821.6 Ų21.627%0.26612%0.12SC..  trans-145.6136.5174.8-174.50000113.3L130 K134 E160L130-S132 WeakPolarHBondContact CD2-O 3.41Å; L130-S132 WeakPolarHBondContact CG-O 3.01Å; S132-K134 PolarHBondContact O-N 3.43Å; S132-K134 PolarHBondContact OG-N 3.34Å; S132-E160 VanDerWaalsContact CA-OE1 3.31Å; S132-E160 WeakPolarHBondContact CA-OE1 3.39Å; S132-E160 PolarHBondContact OG-OE1 3.02Å
133S96.1Very high97.6Very high30 Ų3022.9 Ų22.921%0.2113%0.127CC..THydrogen-bonded Turntrans-73-6.2172.7570000113.7L139 E160S133-L139 WeakPolarHBondContact O-CD1 3.39Å; S133-E160 WeakPolarHBondContact CB-OE2 3.08Å; S133-E160 PolarHBondContact N-OE1 3.43Å; S133-E160 PolarHBondContact OG-OE1 3.32Å; S133-E160 PolarHBondContact OG-OE2 3.43Å
134K95.1Very high97.5Very high179 Ų17922.5 Ų22.578%0.77812%0.121SC*.THydrogen-bonded Turntrans-98.4-6-178.4-60.3-177.8-178.6178.40113.5S132 A136S132-K134 PolarHBondContact O-N 3.43Å; S132-K134 PolarHBondContact OG-N 3.34Å; K134-A136 PolarHBondContact O-N 2.96Å; K134-A136 VanDerWaalsContact O-N 3.08Å
135D96.1Very high97.5Very high21 Ų2122.3 Ų22.311%0.11212%0.12CC..  trans-81.586.9179.2-170.9-17000110.6F137 N138 L139 H175D135-F137 PolarHBondContact O-N 3.5Å; D135-F137 PolarHBondContact OD1-N 3.5Å; D135-N138 HydrophobicContact CB-CB 4.15Å; D135-N138 PolarHBondContact O-N 3.42Å; D135-N138 PolarHBondContact OD1-N 2.93Å; D135-N138 VanDerWaalsContact OD2-CG 3.31Å; D135-N138 PolarHBondContact OD2-ND2 3.3Å; D135-L139 WeakPolarHBondContact O-CG 3.45Å; D135-L139 PolarHBondContact O-N 3.21Å; D135-H175 IonicContact OD1-CE1 3.28Å; D135-H175 PolarHBondContact OD1-CE1 3.31Å; D135-H175 IonicContact OD1-ND1 3.6Å; D135-H175 PolarHBondContact OD1-ND1 3.09Å; D135-H175 IonicContact OD2-CE1 3.86Å; D135-H175 IonicContact OD2-CG 2.98Å; D135-H175 IonicContact OD2-ND1 3.31Å; D135-H175 PolarHBondContact OD2-ND1 2.83Å
136A96.6Very high97.5Very high11 Ų1123.4 Ų23.49%0.09112%0.117CC..Hα-helixtrans-62.6-29.6-178.800000112.9F10 K134 Q140 I310F10-A136 HydrophobicContact CE2-CB 4.4Å; F10-A136 HydrophobicContact CZ-CB 4.15Å; K134-A136 PolarHBondContact O-N 2.96Å; K134-A136 VanDerWaalsContact O-N 3.08Å; A136-Q140 WeakPolarHBondContact O-CB 3.38Å; A136-Q140 WeakPolarHBondContact O-CG 3.35Å; A136-Q140 PolarHBondContact O-N 3.03Å; A136-Q140 VanDerWaalsContact O-N 3.1Å; A136-I310 HydrophobicContact CB-CG2 4.11Å
137F98.1Very high97.4Very high1 Ų129.3 Ų29.30%0.00414%0.141CC..Hα-helixtrans-65.8-51.5176.9-178.1-94000110.5F10 A13 V113 D135 Q140 M141 H175 F207 I208 F211 I310F10-F137 HydrophobicContact CD1-CB 4.35Å; F10-F137 HydrophobicContact CE1-CB 4.14Å; F10-F137 HydrophobicContact CE2-CB 4.34Å; F10-F137 HydrophobicContact CZ-CB 4.14Å; A13-F137 HydrophobicContact CB-CZ 4.03Å; V113-F137 HydrophobicContact CG2-CE1 4Å; D135-F137 PolarHBondContact O-N 3.5Å; D135-F137 PolarHBondContact OD1-N 3.5Å; F137-Q140 PolarHBondContact O-N 3.02Å; F137-M141 HydrophobicContact CD1-CE 4.01Å; F137-M141 HydrophobicContact CE1-CE 3.4Å; F137-M141 VanDerWaalsContact CE1-CE 3.4Å; F137-M141 HydrophobicContact CZ-CE 4.22Å; F137-M141 PolarHBondContact O-N 2.94Å; F137-H175 HydrophobicContact CD1-CB 4.24Å; F137-H175 AromaticContact CD1-CD2 3.99Å; F137-H175 AromaticContact CD1-CG 3.83Å; F137-F207 HydrophobicContact CD1-CE1 4.43Å; F137-F207 HydrophobicContact CD2-CE1 4.38Å; F137-F207 AromaticContact CE1-CE1 3.99Å; F137-F207 HydrophobicContact CE1-CE1 3.99Å; F137-F207 AromaticContact CE2-CE1 3.92Å; F137-F207 HydrophobicContact CE2-CE1 3.92Å; F137-F207 HydrophobicContact CE2-CZ 4.47Å; F137-F207 HydrophobicContact CZ-CD1 4.42Å; F137-F207 AromaticContact CZ-CE1 3.72Å; F137-F207 HydrophobicContact CZ-CE1 3.72Å; F137-I208 HydrophobicContact CZ-CG1 4.27Å; F137-F211 HydrophobicContact CD2-CE1 4.47Å; F137-F211 HydrophobicContact CD2-CE2 4.44Å; F137-F211 HydrophobicContact CD2-CZ 4.43Å; F137-F211 HydrophobicContact CE2-CB 4.49Å; F137-F211 AromaticContact CE2-CD1 3.67Å; F137-F211 HydrophobicContact CE2-CD1 3.67Å; F137-F211 HydrophobicContact CE2-CD2 4.16Å; F137-F211 AromaticContact CE2-CE1 3.9Å; F137-F211 HydrophobicContact CE2-CE1 3.9Å; F137-F211 HydrophobicContact CE2-CE2 4.36Å; F137-F211 AromaticContact CE2-CG 3.82Å; F137-F211 HydrophobicContact CE2-CG 3.82Å; F137-F211 HydrophobicContact CE2-CZ 4.26Å; F137-F211 HydrophobicContact CZ-CD1 4.49Å; F137-I310 HydrophobicContact CD2-CD1 4Å
138N98.3Very high97.4Very high1 Ų131.2 Ų31.21%0.00516%0.156CC..Hα-helixtrans-66.7-37.2177.6-85.1-19.8000112.8L130 D135 Q140 M141 M142 P176 V177L130-N138 HydrophobicContact CD1-CB 3.68Å; D135-N138 HydrophobicContact CB-CB 4.15Å; D135-N138 PolarHBondContact O-N 3.42Å; D135-N138 PolarHBondContact OD1-N 2.93Å; D135-N138 VanDerWaalsContact OD2-CG 3.31Å; D135-N138 PolarHBondContact OD2-ND2 3.3Å; N138-Q140 VanDerWaalsContact C-N 3.32Å; N138-Q140 PolarHBondContact O-N 3.41Å; N138-M141 WeakPolarHBondContact O-CB 3.49Å; N138-M141 PolarHBondContact O-N 3.38Å; N138-M142 HydrophobicContact CB-CE 4.08Å; N138-M142 WeakPolarHBondContact O-CG 3.48Å; N138-M142 PolarHBondContact O-N 3.49Å; N138-P176 PolarHBondContact ND2-O 3.22Å; N138-V177 VanDerWaalsContact OD1-CG2 3.3Å; N138-V177 WeakPolarHBondContact OD1-CG2 3.39Å
139L98.1Very high97.2Very high3 Ų332.6 Ų32.62%0.01616%0.162CC..Hα-helixtrans-60.2-42.4174.7-74.9170.2000112.1L130 S133 D135 M141 M142 N143 V222 L305 A307L130-L139 HydrophobicContact CD2-CD2 3.52Å; L130-L139 HydrophobicContact CD2-CG 4.1Å; S133-L139 WeakPolarHBondContact O-CD1 3.39Å; D135-L139 WeakPolarHBondContact O-CG 3.45Å; D135-L139 PolarHBondContact O-N 3.21Å; L139-M141 VanDerWaalsContact C-N 3.34Å; L139-M142 PolarHBondContact O-N 3.03Å; L139-N143 PolarHBondContact O-N 3.28Å; L139-V222 HydrophobicContact CB-CG2 4.34Å; L139-V222 HydrophobicContact CD2-CB 4.24Å; L139-V222 HydrophobicContact CD2-CG2 4.19Å; L139-V222 WeakPolarHBondContact O-CG2 3.16Å; L139-L305 HydrophobicContact CD2-CB 4.42Å; L139-L305 HydrophobicContact CD2-CD1 3.9Å; L139-A307 HydrophobicContact CB-CB 3.74Å; L139-A307 HydrophobicContact CD1-CB 4.24Å
140Q98.4Very high97.1Very high2 Ų235 Ų351%0.00918%0.184CC..Hα-helixtrans-65.2-39.5175.3-70.9-78.515.700111.7A136 F137 N138 N143 Y144 F207 P218 C220 A307 S308 I310A136-Q140 WeakPolarHBondContact O-CB 3.38Å; A136-Q140 WeakPolarHBondContact O-CG 3.35Å; A136-Q140 PolarHBondContact O-N 3.03Å; A136-Q140 VanDerWaalsContact O-N 3.1Å; F137-Q140 PolarHBondContact O-N 3.02Å; N138-Q140 VanDerWaalsContact C-N 3.32Å; N138-Q140 PolarHBondContact O-N 3.41Å; Q140-N143 PolarHBondContact O-N 3.46Å; Q140-Y144 WeakPolarHBondContact O-CB 3.3Å; Q140-Y144 PolarHBondContact O-N 3.22Å; Q140-F207 HydrophobicContact CB-CE2 3.98Å; Q140-F207 HydrophobicContact CB-CZ 3.87Å; Q140-P218 PolarHBondContact NE2-O 3.24Å; Q140-C220 PolarHBondContact OE1-SG 3.12Å; Q140-A307 HydrophobicContact CG-CB 4.38Å; Q140-S308 PolarHBondContact NE2-O 3.03Å; Q140-I310 HydrophobicContact CB-CD1 3.71Å; Q140-I310 HydrophobicContact CB-CG1 4.24Å; Q140-I310 HydrophobicContact CG-CD1 3.86Å; Q140-I310 HydrophobicContact CG-CG1 3.9Å; Q140-I310 HydrophobicContact CG-CG2 4Å
141M98.7Very high96.9Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-59.8-46.6173.1-168.6-174.3-55.100111.6V113 F115 F137 N138 L139 N143 Y144 I145 V177 A204 F207 I208V113-M141 HydrophobicContact CG1-CE 4.44Å; F115-M141 HydrophobicContact CE1-SD 3.64Å; F115-M141 HydrophobicContact CZ-CE 4.18Å; F115-M141 HydrophobicContact CZ-SD 3.7Å; F137-M141 HydrophobicContact CD1-CE 4.01Å; F137-M141 HydrophobicContact CE1-CE 3.4Å; F137-M141 VanDerWaalsContact CE1-CE 3.4Å; F137-M141 HydrophobicContact CZ-CE 4.22Å; F137-M141 PolarHBondContact O-N 2.94Å; N138-M141 WeakPolarHBondContact O-CB 3.49Å; N138-M141 PolarHBondContact O-N 3.38Å; L139-M141 VanDerWaalsContact C-N 3.34Å; M141-N143 VanDerWaalsContact C-N 3.34Å; M141-N143 PolarHBondContact O-N 3.45Å; M141-Y144 WeakPolarHBondContact O-CB 3.39Å; M141-Y144 PolarHBondContact O-N 3.1Å; M141-Y144 VanDerWaalsContact O-N 3.17Å; M141-I145 HydrophobicContact CG-CD1 3.83Å; M141-I145 HydrophobicContact CG-CG1 4.42Å; M141-I145 WeakPolarHBondContact O-CG1 3.4Å; M141-I145 PolarHBondContact O-N 3.07Å; M141-I145 HydrophobicContact SD-CD1 4.38Å; M141-V177 HydrophobicContact SD-CG2 4.42Å; M141-A204 HydrophobicContact SD-CB 4.09Å; M141-F207 HydrophobicContact CB-CD1 3.6Å; M141-F207 HydrophobicContact CB-CD2 4.49Å; M141-F207 HydrophobicContact CB-CE1 3.5Å; M141-F207 HydrophobicContact CB-CE2 4.4Å; M141-F207 HydrophobicContact CB-CG 4.1Å; M141-F207 HydrophobicContact CB-CZ 3.92Å; M141-F207 HydrophobicContact CE-CD1 3.77Å; M141-F207 HydrophobicContact CE-CE1 3.88Å; M141-F207 HydrophobicContact CG-CB 4.25Å; M141-F207 HydrophobicContact CG-CD1 3.47Å; M141-F207 VanDerWaalsContact CG-CD1 3.47Å; M141-F207 HydrophobicContact CG-CE1 3.92Å; M141-F207 HydrophobicContact CG-CG 3.88Å; M141-F207 HydrophobicContact SD-CD1 4.33Å; M141-I208 HydrophobicContact CE-CD1 4.17Å; M141-I208 HydrophobicContact CE-CG1 3.94Å
142M98.3Very high96.9Very high0 Ų042.4 Ų42.40%024%0.24CC..Hα-helixtrans-63-42.6180-58.4-26.3166.700111.2L128 L130 N138 L139 Y144 I145 K146 V156 V177 V222L128-M142 HydrophobicContact CB-SD 3.91Å; L128-M142 HydrophobicContact CD1-CB 4.37Å; L128-M142 HydrophobicContact CD1-CG 4.36Å; L128-M142 HydrophobicContact CD1-SD 3.62Å; L128-M142 HydrophobicContact CD2-SD 4.22Å; L128-M142 HydrophobicContact CG-SD 4.11Å; L130-M142 HydrophobicContact CD1-CE 4.37Å; N138-M142 HydrophobicContact CB-CE 4.08Å; N138-M142 WeakPolarHBondContact O-CG 3.48Å; N138-M142 PolarHBondContact O-N 3.49Å; L139-M142 PolarHBondContact O-N 3.03Å; M142-Y144 PolarHBondContact O-N 3.46Å; M142-I145 PolarHBondContact O-N 3.22Å; M142-I145 HydrophobicContact SD-CD1 4.49Å; M142-K146 WeakPolarHBondContact O-CB 3.38Å; M142-K146 WeakPolarHBondContact O-CG 3.16Å; M142-K146 PolarHBondContact O-N 3.45Å; M142-V156 HydrophobicContact CB-CG2 3.95Å; M142-V156 HydrophobicContact CG-CG1 4.44Å; M142-V156 HydrophobicContact CG-CG2 4.25Å; M142-V177 HydrophobicContact CE-CB 4.3Å; M142-V177 HydrophobicContact CE-CG1 3.68Å; M142-V177 HydrophobicContact CE-CG2 3.75Å; M142-V222 HydrophobicContact CB-CG1 4.34Å
143N98.2Very high96.9Very high26 Ų2644.6 Ų44.614%0.13926%0.255CS..Hα-helixtrans-60.2-44.1173.8178.454.7000112.2L139 Q140 M141 K146 K147 C220 V222L139-N143 PolarHBondContact O-N 3.28Å; Q140-N143 PolarHBondContact O-N 3.46Å; M141-N143 VanDerWaalsContact C-N 3.34Å; M141-N143 PolarHBondContact O-N 3.45Å; N143-K146 PolarHBondContact O-N 3.37Å; N143-K147 WeakPolarHBondContact O-CG 3.39Å; N143-K147 PolarHBondContact O-N 3.49Å; N143-K147 VanDerWaalsContact O-N 3.1Å; N143-K147 VanDerWaalsContact OD1-CE 3.28Å; N143-K147 WeakPolarHBondContact OD1-CE 3.08Å; N143-C220 VanDerWaalsContact CG-SG 3.59Å; N143-C220 WeakPolarHBondContact ND2-CB 3.34Å; N143-C220 PolarHBondContact ND2-SG 2.99Å; N143-V222 HydrophobicContact CB-CG2 4.07Å
144Y98.6Very high96.9Very high58 Ų5843.3 Ų43.323%0.22725%0.246CC..Hα-helixtrans-61.2-50.6177.6179-87.3000111.5Q140 M141 M142 K146 K147 A148 H203 D206 F207 L210 F217Q140-Y144 WeakPolarHBondContact O-CB 3.3Å; Q140-Y144 PolarHBondContact O-N 3.22Å; M141-Y144 WeakPolarHBondContact O-CB 3.39Å; M141-Y144 PolarHBondContact O-N 3.1Å; M141-Y144 VanDerWaalsContact O-N 3.17Å; M142-Y144 PolarHBondContact O-N 3.46Å; Y144-K146 VanDerWaalsContact C-N 3.35Å; Y144-K146 PolarHBondContact O-N 2.92Å; Y144-K147 PolarHBondContact O-N 3.28Å; Y144-A148 HydrophobicContact CE1-CB 4.31Å; Y144-A148 WeakPolarHBondContact O-CB 3.3Å; Y144-A148 PolarHBondContact O-N 3.32Å; Y144-H203 HydrophobicContact CE1-CB 4.39Å; Y144-H203 WeakPolarHBondContact CE1-O 3.37Å; Y144-D206 HydrophobicContact CE1-CB 4.4Å; Y144-F207 HydrophobicContact CD1-CB 3.66Å; Y144-F207 HydrophobicContact CD1-CD2 4.36Å; Y144-F207 HydrophobicContact CD1-CG 4.46Å; Y144-F207 HydrophobicContact CD2-CD2 4.27Å; Y144-F207 HydrophobicContact CE1-CB 4.04Å; Y144-F207 HydrophobicContact CG-CB 4.03Å; Y144-F207 AromaticContact CG-CD2 3.85Å; Y144-F207 HydrophobicContact CG-CD2 3.85Å; Y144-F207 HydrophobicContact CG-CG 4.39Å; Y144-L210 HydrophobicContact CE2-CD1 3.77Å; Y144-L210 WeakPolarHBondContact OH-CD1 3.35Å; Y144-F217 HydrophobicContact CD2-CE1 4.06Å
145I98.5Very high97.1Very high0 Ų036.3 Ų36.30%022%0.217CC..Hα-helixtrans-58.9-47.3179.4-66.3164.7000110.2L128 M141 M142 K147 A148 F149 I200 H203 A204L128-I145 HydrophobicContact CD1-CB 4.15Å; L128-I145 HydrophobicContact CD1-CD1 3.98Å; L128-I145 HydrophobicContact CD1-CG2 3.94Å; L128-I145 HydrophobicContact CD2-CD1 4.25Å; M141-I145 HydrophobicContact CG-CD1 3.83Å; M141-I145 HydrophobicContact CG-CG1 4.42Å; M141-I145 WeakPolarHBondContact O-CG1 3.4Å; M141-I145 PolarHBondContact O-N 3.07Å; M141-I145 HydrophobicContact SD-CD1 4.38Å; M142-I145 PolarHBondContact O-N 3.22Å; M142-I145 HydrophobicContact SD-CD1 4.49Å; I145-K147 VanDerWaalsContact C-N 3.28Å; I145-K147 PolarHBondContact O-N 3.17Å; I145-A148 PolarHBondContact O-N 3.21Å; I145-F149 WeakPolarHBondContact O-CB 3.37Å; I145-F149 PolarHBondContact O-N 3.24Å; I145-I200 HydrophobicContact CG2-CG2 4.14Å; I145-H203 HydrophobicContact CG1-CB 4.18Å; I145-A204 HydrophobicContact CD1-CB 3.7Å; I145-A204 HydrophobicContact CG1-CB 4.35Å
146K97.6Very high97.2Very high50 Ų5035.3 Ų35.322%0.21721%0.211CC..Hα-helixtrans-56.4-42178.2-75.3177.474.6116.60112.5M142 N143 Y144 A150 C154 V156M142-K146 WeakPolarHBondContact O-CB 3.38Å; M142-K146 WeakPolarHBondContact O-CG 3.16Å; M142-K146 PolarHBondContact O-N 3.45Å; N143-K146 PolarHBondContact O-N 3.37Å; Y144-K146 VanDerWaalsContact C-N 3.35Å; Y144-K146 PolarHBondContact O-N 2.92Å; K146-A150 PolarHBondContact O-N 3.34Å; K146-C154 WeakPolarHBondContact CE-O 3.4Å; K146-C154 HydrophobicContact CG-CB 4.44Å; K146-C154 VanDerWaalsContact CG-O 3.3Å; K146-C154 WeakPolarHBondContact CG-O 3.49Å; K146-C154 PolarHBondContact NZ-O 3.08Å; K146-C154 VanDerWaalsContact NZ-O 3.16Å; K146-V156 HydrophobicContact CD-CG2 4.05Å
147K97.1Very high97.3Very high142 Ų14235 Ų3562%0.61721%0.209SC*.Hα-helixtrans-70.4-41.8177.9-72.2177.6179.2-178.50112.3N143 Y144 I145 F149N143-K147 WeakPolarHBondContact O-CG 3.39Å; N143-K147 PolarHBondContact O-N 3.49Å; N143-K147 VanDerWaalsContact O-N 3.1Å; N143-K147 VanDerWaalsContact OD1-CE 3.28Å; N143-K147 WeakPolarHBondContact OD1-CE 3.08Å; Y144-K147 PolarHBondContact O-N 3.28Å; I145-K147 VanDerWaalsContact C-N 3.28Å; I145-K147 PolarHBondContact O-N 3.17Å; K147-F149 VanDerWaalsContact C-N 3.33Å
148A97.4Very high97.3Very high40 Ų4035 Ų3533%0.33121%0.208SC..Hα-helixtrans-71.1-29.7-178.900000112.9Y144 I145 H203Y144-A148 HydrophobicContact CE1-CB 4.31Å; Y144-A148 WeakPolarHBondContact O-CB 3.3Å; Y144-A148 PolarHBondContact O-N 3.32Å; I145-A148 PolarHBondContact O-N 3.21Å; A148-H203 HydrophobicContact CB-CB 4.31Å
149F95.7Very high97.2Very high30 Ų3036.1 Ų36.113%0.13221%0.214CC..Hα-helixtrans-86.4-10.9-178.7-159.5-117.3000113.8C126 I145 K147 A152 C154 A196 V199 I200C126-F149 HydrophobicContact CB-CE1 4.08Å; I145-F149 WeakPolarHBondContact O-CB 3.37Å; I145-F149 PolarHBondContact O-N 3.24Å; K147-F149 VanDerWaalsContact C-N 3.33Å; F149-A152 HydrophobicContact CD1-CB 3.76Å; F149-A152 HydrophobicContact CE1-CB 3.59Å; F149-A152 HydrophobicContact CZ-CB 4.23Å; F149-A152 WeakPolarHBondContact O-CB 3.41Å; F149-A152 PolarHBondContact O-N 2.7Å; F149-A152 VanDerWaalsContact O-N 3.09Å; F149-C154 HydrophobicContact CD1-CB 4Å; F149-A196 HydrophobicContact CZ-CB 4.48Å; F149-V199 HydrophobicContact CD2-CG1 3.79Å; F149-V199 HydrophobicContact CE2-CB 4.08Å; F149-V199 HydrophobicContact CE2-CG1 3.66Å; F149-I200 HydrophobicContact CD2-CG1 4.27Å; F149-I200 HydrophobicContact CE1-CG1 4.46Å; F149-I200 HydrophobicContact CE2-CG1 4.01Å; F149-I200 HydrophobicContact CZ-CD1 4.34Å; F149-I200 HydrophobicContact CZ-CG1 4.1Å
150A95.1Very high96.9Very high62 Ų6238.2 Ų38.251%0.51222%0.224SC..THydrogen-bonded Turntrans-59.1142.8176.600000111.4K146K146-A150 PolarHBondContact O-N 3.34Å
151P94.2Very high96.5Very high145 Ų14540.8 Ų40.894%0.94224%0.236SC*.THydrogen-bonded Turncis-84.5-2.212.434.5-37.2000115.2
152A94.6Very high95.9Very high51 Ų5145.5 Ų45.542%0.42127%0.266SS..SBendtrans-68.8147.5174.200000110.8F149F149-A152 HydrophobicContact CD1-CB 3.76Å; F149-A152 HydrophobicContact CE1-CB 3.59Å; F149-A152 HydrophobicContact CZ-CB 4.23Å; F149-A152 WeakPolarHBondContact O-CB 3.41Å; F149-A152 PolarHBondContact O-N 2.7Å; F149-A152 VanDerWaalsContact O-N 3.09Å
153S93.8Very high95.2Very high84 Ų8452.4 Ų52.459%0.58730%0.303SS*.  trans-84.3140.8179.955.70000111.3C126C126-S153 WeakPolarHBondContact CB-O 3.29Å
154C97.2Very high94.4Very high3 Ų352.3 Ų52.32%0.0230%0.302CS..  trans-133112.4164.7-168.80000107.8C126 K146 F149C126-C154 HydrophobicContact CB-CB 4.31Å; C126-C154 CarbonylContact O-C 3.57Å; C126-C154 WeakPolarHBondContact O-CA 3.35Å; K146-C154 WeakPolarHBondContact CE-O 3.4Å; K146-C154 HydrophobicContact CG-CB 4.44Å; K146-C154 VanDerWaalsContact CG-O 3.3Å; K146-C154 WeakPolarHBondContact CG-O 3.49Å; K146-C154 PolarHBondContact NZ-O 3.08Å; K146-C154 VanDerWaalsContact NZ-O 3.16Å; F149-C154 HydrophobicContact CD1-CB 4Å
155L98.2Very high93.6Very high32 Ų3255.6 Ų55.617%0.16832%0.318CS..EExtended strand (participates in β ladder)trans-93.2157.4-174.6-61.2-177.6000110.5C126 T127 L128 F225 W254C126-L155 PolarHBondContact O-N 2.78Å; T127-L155 CarbonylContact C-O 3.54Å; T127-L155 WeakPolarHBondContact CA-O 3.3Å; L128-L155 PolarHBondContact N-O 3.46Å; L155-F225 HydrophobicContact CD1-CE2 4.36Å; L155-F225 HydrophobicContact CD2-CE2 4.31Å; L155-W254 HydrophobicContact CB-CD2 4.44Å; L155-W254 HydrophobicContact CB-CH2 4.4Å; L155-W254 HydrophobicContact CB-CZ2 4.25Å; L155-W254 HydrophobicContact CD1-CB 3.87Å; L155-W254 HydrophobicContact CD1-CD2 3.4Å; L155-W254 VanDerWaalsContact CD1-CD2 3.4Å; L155-W254 HydrophobicContact CD1-CE3 4.02Å; L155-W254 HydrophobicContact CD1-CG 3.3Å; L155-W254 HydrophobicContact CD1-CZ2 4.46Å
156V98.7Very high92.9Very high0 Ų058.5 Ų58.50%033%0.329CS..EExtended strand (participates in β ladder)trans-117.6114.5-177.6-178.70000108.5L128 L130 M142 K146 V222 V224 F225L128-V156 HydrophobicContact CB-CG2 4.44Å; L128-V156 CarbonylContact O-C 3.55Å; L128-V156 VanDerWaalsContact O-CA 3.31Å; L128-V156 WeakPolarHBondContact O-CA 3.31Å; L130-V156 HydrophobicContact CB-CG1 4.23Å; M142-V156 HydrophobicContact CB-CG2 3.95Å; M142-V156 HydrophobicContact CG-CG1 4.44Å; M142-V156 HydrophobicContact CG-CG2 4.25Å; K146-V156 HydrophobicContact CD-CG2 4.05Å; V156-V222 HydrophobicContact CG2-CG1 4.14Å; V156-V224 HydrophobicContact CB-CB 4.42Å; V156-V224 HydrophobicContact CB-CG1 4.01Å; V156-V224 HydrophobicContact CG1-CB 4.29Å; V156-V224 HydrophobicContact CG1-CG1 3.71Å; V156-V224 CarbonylContact O-C 3.55Å; V156-V224 WeakPolarHBondContact O-CA 3.46Å; V156-F225 PolarHBondContact O-N 3.31Å
157L98.6Very high92.4Very high6 Ų657.2 Ų57.23%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-91.1124.9170.6-171.271.8000108.8T127 L128 I129 L130 F225 V227 W254 T283 F284 T300T127-L157 HydrophobicContact CG2-CB 4.05Å; L128-L157 PolarHBondContact O-N 3.46Å; I129-L157 WeakPolarHBondContact CA-O 3.35Å; I129-L157 HydrophobicContact CG1-CB 4.39Å; I129-L157 HydrophobicContact CG1-CD2 4.44Å; L130-L157 PolarHBondContact N-O 3.43Å; L157-F225 HydrophobicContact CD1-CB 4.37Å; L157-V227 HydrophobicContact CD1-CG2 4.04Å; L157-V227 HydrophobicContact CD2-CG2 4.47Å; L157-V227 HydrophobicContact CG-CG2 4.21Å; L157-W254 HydrophobicContact CB-CH2 4.15Å; L157-W254 HydrophobicContact CD1-CH2 4.1Å; L157-W254 HydrophobicContact CD1-CZ3 4.09Å; L157-T283 HydrophobicContact CD1-CG2 4.14Å; L157-F284 HydrophobicContact CD2-CD2 4.32Å; L157-F284 HydrophobicContact CD2-CE2 3.6Å; L157-T300 HydrophobicContact CD1-CG2 3.79Å
158L98.1Very high92.3Very high0 Ų050.6 Ų50.60%030%0.298CS..EExtended strand (participates in β ladder)trans-102.8108.8174.9174.865.2000110.1L130 E160 V224 F225 R226 V227 L305L130-L158 HydrophobicContact CB-CD1 4.15Å; L130-L158 HydrophobicContact CD2-CD1 4.04Å; L130-L158 HydrophobicContact CG-CD1 3.97Å; L130-L158 WeakPolarHBondContact O-CA 3.41Å; L158-E160 HydrophobicContact CD1-CB 4.11Å; L158-E160 HydrophobicContact CG-CB 4.25Å; L158-V224 HydrophobicContact CB-CB 4.31Å; L158-V224 HydrophobicContact CB-CG2 4.29Å; L158-V224 HydrophobicContact CD2-CG2 4.22Å; L158-F225 PolarHBondContact N-O 2.91Å; L158-R226 HydrophobicContact CD2-CB 4.4Å; L158-R226 HydrophobicContact CD2-CG 4.32Å; L158-V227 PolarHBondContact O-N 3.23Å; L158-L305 HydrophobicContact CD2-CD1 4.08Å
159N95.5Very high92.3Very high25 Ų2548.7 Ų48.713%0.13428%0.282CS..  trans-104.677.6176.4-170.915000111.4I129 L130 V227I129-N159 HydrophobicContact CG2-CB 4.49Å; L130-N159 PolarHBondContact O-N 2.94Å; N159-V227 HydrophobicContact CB-CG2 4.21Å
160E92.4Very high92.4Very high46 Ų4647.7 Ų47.722%0.21528%0.277CS..  trans-110.14178.2-167.4170.3-130.400112.2S132 S133 L158 R226S132-E160 VanDerWaalsContact CA-OE1 3.31Å; S132-E160 WeakPolarHBondContact CA-OE1 3.39Å; S132-E160 PolarHBondContact OG-OE1 3.02Å; S133-E160 WeakPolarHBondContact CB-OE2 3.08Å; S133-E160 PolarHBondContact N-OE1 3.43Å; S133-E160 PolarHBondContact OG-OE1 3.32Å; S133-E160 PolarHBondContact OG-OE2 3.43Å; L158-E160 HydrophobicContact CD1-CB 4.11Å; L158-E160 HydrophobicContact CG-CB 4.25Å; E160-R226 IonicContact OE2-CZ 2.7Å; E160-R226 IonicContact OE2-NH1 3.96Å; E160-R226 PolarHBondContact OE2-NH1 3.44Å; E160-R226 IonicContact OE2-NH2 2.93Å
161H91Very high92.5Very high57 Ų5745.4 Ų45.426%0.26426%0.258SS..  trans-62.7126.7-174.5-172.9-78000110.7L163 L164 K165 V227 L228H161-L163 PolarHBondContact ND1-N 2.73Å; H161-L163 PolarHBondContact O-N 2.96Å; H161-L164 HydrophobicContact CB-CB 3.96Å; H161-L164 HydrophobicContact CB-CD1 4.32Å; H161-L164 HydrophobicContact CB-CG 4.28Å; H161-L164 WeakPolarHBondContact ND1-CG 3.45Å; H161-L164 PolarHBondContact ND1-N 3.23Å; H161-L164 PolarHBondContact O-N 3.45Å; H161-L164 VanDerWaalsContact O-N 3.09Å; H161-K165 WeakPolarHBondContact O-CB 3.29Å; H161-K165 WeakPolarHBondContact O-CG 3.46Å; H161-K165 PolarHBondContact O-N 2.93Å; H161-V227 HydrophobicContact CB-CG1 4.29Å; H161-L228 PolarHBondContact CD2-O 2.93Å; H161-L228 VanDerWaalsContact CD2-O 3.28Å; H161-L228 PolarHBondContact NE2-O 3.12Å
162P85.4Confident92.7Very high98 Ų9838.5 Ų38.564%0.63621%0.213SC*.THydrogen-bonded Turntrans-54.5-35.7-171.3-27.833.4000115
163L84.1Confident92.8Very high145 Ų14536.6 Ų36.676%0.75920%0.197SC*.THydrogen-bonded Turntrans-98.2-16.2-177.7-56.4176.5000114H161H161-L163 PolarHBondContact ND1-N 2.73Å; H161-L163 PolarHBondContact O-N 2.96Å
164L80.4Confident93Very high24 Ų2437 Ų3713%0.12619%0.188CC..THydrogen-bonded Turntrans-110.5-11.2-174.3-50.2173.6000112.6H161 V227 R230H161-L164 HydrophobicContact CB-CB 3.96Å; H161-L164 HydrophobicContact CB-CD1 4.32Å; H161-L164 HydrophobicContact CB-CG 4.28Å; H161-L164 WeakPolarHBondContact ND1-CG 3.45Å; H161-L164 PolarHBondContact ND1-N 3.23Å; H161-L164 PolarHBondContact O-N 3.45Å; H161-L164 VanDerWaalsContact O-N 3.09Å; L164-V227 HydrophobicContact CB-CG1 4.43Å; L164-V227 HydrophobicContact CD1-CG1 3.86Å; L164-R230 HydrophobicContact CD1-CG 4.27Å; L164-R230 HydrophobicContact CD2-CG 4.07Å; L164-R230 PolarHBondContact O-NH2 2.85Å
165K81.5Confident93.1Very high128 Ų12838.2 Ų38.256%0.55719%0.194SC*.  trans-66.2137.5167.472.1-177.2-176.5175.50109.6H161H161-K165 WeakPolarHBondContact O-CB 3.29Å; H161-K165 WeakPolarHBondContact O-CG 3.46Å; H161-K165 PolarHBondContact O-N 2.93Å
166Y83.6Confident93.1Very high61 Ų6137.4 Ų37.424%0.23919%0.19CC..  trans-106.9160.2177.5-61.3-63.4000110.5R73 T168 R230R73-Y166 VanDerWaalsContact CD-CE1 3.49Å; R73-Y166 VanDerWaalsContact CD-CG 3.41Å; R73-Y166 VanDerWaalsContact NE-CE2 3.28Å; Y166-T168 PolarHBondContact O-N 2.82Å; Y166-R230 VanDerWaalsContact CE1-NH2 3.35Å; Y166-R230 PolarHBondContact OH-NH1 3.23Å; Y166-R230 PolarHBondContact OH-NH2 3.03Å
167S88.2Confident93Very high23 Ų2337.4 Ų37.416%0.16119%0.19CC..  trans-85.290.5165-142.70000108.4R73 F75 T76 K105R73-S167 CarbonylContact C-O 3.47Å; F75-S167 WeakPolarHBondContact CB-O 3.45Å; F75-S167 PolarHBondContact N-O 3.29Å; F75-S167 WeakPolarHBondContact O-CB 3.39Å; F75-S167 PolarHBondContact O-OG 2.92Å; T76-S167 PolarHBondContact N-OG 2.99Å; K105-S167 PolarHBondContact NZ-OG 3.16Å
168T95.4Very high93Very high3 Ų337.1 Ų37.12%0.01819%0.189CC..  trans-84.7163.8-17159.60000112.3N72 F75 E131 Y166 R170 S171N72-T168 WeakPolarHBondContact OD1-CA 3.4Å; N72-T168 WeakPolarHBondContact OD1-CB 3.37Å; F75-T168 WeakPolarHBondContact CB-O 3.46Å; F75-T168 WeakPolarHBondContact CG-O 3.37Å; E131-T168 WeakPolarHBondContact OE1-CG2 3.29Å; E131-T168 PolarHBondContact OE1-OG1 3.29Å; Y166-T168 PolarHBondContact O-N 2.82Å; T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 WeakPolarHBondContact OG1-CG 3.43Å; T168-S171 PolarHBondContact N-OG 3.12Å; T168-S171 WeakPolarHBondContact O-CB 3.4Å; T168-S171 PolarHBondContact O-N 3.34Å; T168-S171 PolarHBondContact O-OG 3.25Å; T168-S171 VanDerWaalsContact OG1-CB 3.3Å; T168-S171 WeakPolarHBondContact OG1-CB 3.45Å; T168-S171 PolarHBondContact OG1-N 3.05Å
169S97.3Very high93.1Very high0 Ų037.2 Ų37.20%019%0.189CC..SBendtrans-61.6-41.6176.956.90000112.9T22 N72 D116 S171 V172T22-S169 PolarHBondContact OG1-OG 2.87Å; N72-S169 PolarHBondContact OD1-N 2.89Å; D116-S169 VanDerWaalsContact CG-OG 3.29Å; D116-S169 PolarHBondContact OD1-OG 2.68Å; D116-S169 PolarHBondContact OD2-OG 3.21Å; S169-S171 VanDerWaalsContact C-N 3.31Å; S169-S171 PolarHBondContact O-N 3.31Å; S169-V172 WeakPolarHBondContact O-CG2 3.42Å
170R97.7Very high93.2Very high9 Ų936.4 Ų36.43%0.03418%0.184CC..G310 helixtrans-66.7-26175.356.2179.9179.6-90.31.6114.3I114 D116 E131 T168 V172 A173 P176 V177I114-R170 HydrophobicContact CB-CB 4.32Å; I114-R170 HydrophobicContact CG2-CB 3.94Å; D116-R170 HydrophobicContact CB-CB 3.74Å; D116-R170 HydrophobicContact CB-CG 4.23Å; D116-R170 IonicContact OD2-NH1 3.82Å; D116-R170 PolarHBondContact OD2-NH1 3.26Å; E131-R170 IonicContact OE1-CZ 3.07Å; E131-R170 VanDerWaalsContact OE1-CZ 3.3Å; E131-R170 IonicContact OE1-NE 3.76Å; E131-R170 PolarHBondContact OE1-NE 2.94Å; E131-R170 IonicContact OE1-NH2 3.17Å; E131-R170 PolarHBondContact OE1-NH2 2.78Å; E131-R170 VanDerWaalsContact OE1-NH2 3.16Å; T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 WeakPolarHBondContact OG1-CG 3.43Å; R170-V172 PolarHBondContact O-N 3.22Å; R170-A173 WeakPolarHBondContact O-CB 3.25Å; R170-A173 PolarHBondContact O-N 2.91Å; R170-P176 HydrophobicContact CB-CB 3.97Å; R170-P176 HydrophobicContact CG-CB 3.89Å; R170-P176 WeakPolarHBondContact O-CB 3.5Å; R170-V177 VanDerWaalsContact CD-C 3.43Å
171S96.9Very high93.5Very high14 Ų1434.3 Ų34.310%0.09818%0.175CC..G310 helixtrans-64.8-3.1-177.5710000114.6K105 T168 S169 A173K105-S171 WeakPolarHBondContact CD-O 3.39Å; K105-S171 VanDerWaalsContact CE-O 3.24Å; K105-S171 WeakPolarHBondContact CE-O 3.33Å; K105-S171 WeakPolarHBondContact CE-OG 3.1Å; K105-S171 WeakPolarHBondContact CG-O 3.47Å; K105-S171 PolarHBondContact NZ-OG 3.31Å; T168-S171 PolarHBondContact N-OG 3.12Å; T168-S171 WeakPolarHBondContact O-CB 3.4Å; T168-S171 PolarHBondContact O-N 3.34Å; T168-S171 PolarHBondContact O-OG 3.25Å; T168-S171 VanDerWaalsContact OG1-CB 3.3Å; T168-S171 WeakPolarHBondContact OG1-CB 3.45Å; T168-S171 PolarHBondContact OG1-N 3.05Å; S169-S171 VanDerWaalsContact C-N 3.31Å; S169-S171 PolarHBondContact O-N 3.31Å; S171-A173 VanDerWaalsContact C-N 3.27Å
172V97.6Very high93.9Very high0 Ų031.7 Ų31.70%016%0.163CC..G310 helixtrans-64.7-32.4166.9178.20000111.5F75 F102 G103 K105 A110 I114 S169 R170F75-V172 HydrophobicContact CD1-CG2 3.4Å; F75-V172 VanDerWaalsContact CD1-CG2 3.4Å; F75-V172 HydrophobicContact CE1-CG2 3.58Å; F75-V172 HydrophobicContact CG-CG2 4.49Å; F102-V172 HydrophobicContact CB-CG1 4.23Å; G103-V172 VanDerWaalsContact N-CG1 3.3Å; K105-V172 HydrophobicContact CB-CG2 4.49Å; A110-V172 WeakPolarHBondContact CB-O 3.42Å; I114-V172 HydrophobicContact CD1-CB 4.23Å; S169-V172 WeakPolarHBondContact O-CG2 3.42Å; R170-V172 PolarHBondContact O-N 3.22Å
173A98.1Very high94.5Very high11 Ų1129.4 Ų29.49%0.09115%0.149CC..SBendtrans-73162.8-178.500000113.3Y111 I114 R170 S171Y111-A173 WeakPolarHBondContact O-CA 3.41Å; I114-A173 HydrophobicContact CB-CB 3.76Å; I114-A173 HydrophobicContact CD1-CB 3.75Å; I114-A173 HydrophobicContact CG1-CB 3.54Å; R170-A173 WeakPolarHBondContact O-CB 3.25Å; R170-A173 PolarHBondContact O-N 2.91Å; S171-A173 VanDerWaalsContact C-N 3.27Å
174K97.8Very high95.2Very high93 Ų9322.7 Ų22.740%0.40411%0.113SC..SBendtrans-67-42.6166.8-58.1174.5-1691600111.4A108 A110 Y111 D112 P176A108-K174 WeakPolarHBondContact O-CE 3.24Å; A108-K174 PolarHBondContact O-NZ 3.05Å; A110-K174 HydrophobicContact CB-CG 4.39Å; A110-K174 VanDerWaalsContact O-CE 3.3Å; A110-K174 WeakPolarHBondContact O-CE 3.44Å; Y111-K174 PolarHBondContact O-N 3.47Å; D112-K174 IonicContact OD1-NZ 2.94Å; D112-K174 PolarHBondContact OD1-NZ 3.44Å; K174-P176 WeakPolarHBondContact O-CD 3.25Å
175H97.8Very high96.1Very high28 Ų2824.8 Ų24.813%0.1313%0.128CC..EExtended strand (participates in β ladder)trans-121.584.9179.1-61.4-68.4000110.6D112 V113 I114 D135 F137D112-H175 WeakPolarHBondContact O-CB 3.41Å; D112-H175 PolarHBondContact O-CD2 3.35Å; D112-H175 PolarHBondContact O-N 2.89Å; V113-H175 HydrophobicContact CG2-CB 4.23Å; I114-H175 PolarHBondContact N-O 3.03Å; D135-H175 IonicContact OD1-CE1 3.28Å; D135-H175 PolarHBondContact OD1-CE1 3.31Å; D135-H175 IonicContact OD1-ND1 3.6Å; D135-H175 PolarHBondContact OD1-ND1 3.09Å; D135-H175 IonicContact OD2-CE1 3.86Å; D135-H175 IonicContact OD2-CG 2.98Å; D135-H175 IonicContact OD2-ND1 3.31Å; D135-H175 PolarHBondContact OD2-ND1 2.83Å; F137-H175 HydrophobicContact CD1-CB 4.24Å; F137-H175 AromaticContact CD1-CD2 3.99Å; F137-H175 AromaticContact CD1-CG 3.83Å
176P98.1Very high96.9Very high15 Ų1521.8 Ų21.810%0.09712%0.116CC..EExtended strand (participates in β ladder)trans-75.5134.217929.6-34.3000111.9E131 N138 R170 K174E131-P176 HydrophobicContact CB-CG 4.36Å; E131-P176 HydrophobicContact CG-CG 4.43Å; N138-P176 PolarHBondContact ND2-O 3.22Å; R170-P176 HydrophobicContact CB-CB 3.97Å; R170-P176 HydrophobicContact CG-CB 3.89Å; R170-P176 WeakPolarHBondContact O-CB 3.5Å; K174-P176 WeakPolarHBondContact O-CD 3.25Å
177V98.5Very high97.6Very high0 Ų020.7 Ų20.70%012%0.124CC..EExtended strand (participates in β ladder)trans-132.6119.9175.3-179.10000110.2I114 F115 D116 L128 N138 M141 M142 R170 M179I114-V177 PolarHBondContact O-N 2.98Å; F115-V177 WeakPolarHBondContact CA-O 3.46Å; F115-V177 HydrophobicContact CD1-CB 3.67Å; F115-V177 HydrophobicContact CD1-CG1 3.84Å; F115-V177 HydrophobicContact CD1-CG2 4.28Å; F115-V177 HydrophobicContact CE1-CB 3.9Å; F115-V177 HydrophobicContact CE1-CG1 4.02Å; F115-V177 HydrophobicContact CE1-CG2 4.02Å; D116-V177 PolarHBondContact N-O 3.25Å; L128-V177 HydrophobicContact CD2-CG1 4.2Å; N138-V177 VanDerWaalsContact OD1-CG2 3.3Å; N138-V177 WeakPolarHBondContact OD1-CG2 3.39Å; M141-V177 HydrophobicContact SD-CG2 4.42Å; M142-V177 HydrophobicContact CE-CB 4.3Å; M142-V177 HydrophobicContact CE-CG1 3.68Å; M142-V177 HydrophobicContact CE-CG2 3.75Å; R170-V177 VanDerWaalsContact CD-C 3.43Å; V177-M179 HydrophobicContact CG1-CG 4.44Å
178G98.6Very high98.2Very high0 Ų022.7 Ų22.70%014%0.135CC..EExtended strand (participates in β ladder)trans-87133.2167.200000110.2D116 L128 I129D116-G178 WeakPolarHBondContact O-CA 3.48Å; L128-G178 CarbonylContact C-O 3.57Å; L128-G178 WeakPolarHBondContact CA-O 3.46Å; I129-G178 PolarHBondContact N-O 3.33Å; I129-G178 PolarHBondContact O-N 3.36Å; I129-G178 VanDerWaalsContact O-N 3.12Å
179M98.7Very high98.3Very high1 Ų126.4 Ų26.41%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-112.8111.9169.5-66.7179.3172.800108F115 D116 L117 H118 L128 V177 I200 L201 A204F115-M179 HydrophobicContact CB-CE 4.46Å; F115-M179 HydrophobicContact CB-SD 4.48Å; F115-M179 HydrophobicContact CD1-CE 3.25Å; F115-M179 HydrophobicContact CD1-SD 4.24Å; F115-M179 HydrophobicContact CE1-CE 3.59Å; F115-M179 HydrophobicContact CG-CE 3.98Å; D116-M179 PolarHBondContact O-N 3.06Å; L117-M179 HydrophobicContact CD2-CB 3.79Å; L117-M179 HydrophobicContact CD2-CG 4.16Å; L117-M179 HydrophobicContact CD2-SD 3.64Å; H118-M179 PolarHBondContact N-O 3.21Å; L128-M179 HydrophobicContact CD2-CE 4.33Å; L128-M179 HydrophobicContact CD2-CG 3.98Å; V177-M179 HydrophobicContact CG1-CG 4.44Å; M179-I200 HydrophobicContact CE-CG2 4Å; M179-I200 HydrophobicContact CG-CG2 4.4Å; M179-I200 HydrophobicContact SD-CG2 4.05Å; M179-L201 HydrophobicContact CE-CB 4.37Å; M179-L201 HydrophobicContact CE-CD1 3.8Å; M179-L201 HydrophobicContact SD-CB 4.03Å; M179-L201 HydrophobicContact SD-CD1 3.88Å; M179-A204 HydrophobicContact CE-CB 3.64Å
180E98.8Very high98.4Very high8 Ų831.9 Ų31.94%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-115.2125.8-175.2175.566-89.400108.4H118 N119 T120 M124 T127 I129 F284H118-E180 VanDerWaalsContact C-OE1 3.26Å; H118-E180 WeakPolarHBondContact CB-OE2 3.38Å; N119-E180 WeakPolarHBondContact CA-OE1 3.41Å; N119-E180 PolarHBondContact N-OE1 2.89Å; T120-E180 WeakPolarHBondContact CB-OE1 3.37Å; T120-E180 HydrophobicContact CG2-CG 3.82Å; T120-E180 WeakPolarHBondContact CG2-OE1 3.46Å; T120-E180 PolarHBondContact N-OE1 3.25Å; M124-E180 HydrophobicContact CE-CG 4.33Å; M124-E180 HydrophobicContact SD-CG 4.31Å; T127-E180 WeakPolarHBondContact CA-O 3.39Å; T127-E180 WeakPolarHBondContact CB-O 3.47Å; T127-E180 PolarHBondContact N-O 2.93Å; T127-E180 PolarHBondContact O-N 2.93Å; I129-E180 HydrophobicContact CD1-CB 3.94Å; I129-E180 HydrophobicContact CG1-CB 4.27Å; E180-F284 HydrophobicContact CG-CE1 4.13Å; E180-F284 HydrophobicContact CG-CZ 4.09Å; E180-F284 WeakPolarHBondContact OE2-CE1 3.33Å
181V98.8Very high98.4Very high3 Ų336.1 Ų36.12%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-136.8118.5179.4-164.20000110.3H118 N119 G125 I193 A196 M197 I200H118-V181 PolarHBondContact O-N 2.93Å; N119-V181 PolarHBondContact ND2-O 3.46Å; G125-V181 WeakPolarHBondContact O-CA 3.47Å; V181-I193 HydrophobicContact CB-CG2 3.91Å; V181-I193 HydrophobicContact CG1-CB 4.47Å; V181-I193 HydrophobicContact CG1-CD1 4Å; V181-I193 HydrophobicContact CG1-CG2 3.76Å; V181-A196 HydrophobicContact CG1-CB 4.3Å; V181-M197 HydrophobicContact CB-CE 4.19Å; V181-M197 HydrophobicContact CG2-CB 3.96Å; V181-M197 HydrophobicContact CG2-CE 3.93Å; V181-M197 HydrophobicContact CG2-CG 4.41Å; V181-I200 HydrophobicContact CG2-CD1 4.37Å
182G98.6Very high98.5Very high2 Ų239.5 Ų39.52%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-141.4177.2175.800000112.3T120 G125T120-G182 WeakPolarHBondContact O-CA 3.39Å; G125-G182 WeakPolarHBondContact CA-O 3.48Å; G125-G182 PolarHBondContact N-O 2.86Å; G125-G182 VanDerWaalsContact N-O 3.08Å; G125-G182 PolarHBondContact O-N 3.45Å
183P98.7Very high98.5Very high50 Ų5039.9 Ų39.933%0.32523%0.225SC..SBendcis-82.5133.72.630.2-29.8000111.7T120 T121 S122 N123T120-P183 CarbonylContact O-C 3.53Å; T120-P183 WeakPolarHBondContact O-CA 3.49Å; T121-P183 WeakPolarHBondContact O-CB 3.49Å; S122-P183 VanDerWaalsContact O-CA 3.24Å; S122-P183 WeakPolarHBondContact O-CA 3.46Å; S122-P183 WeakPolarHBondContact O-CB 3.48Å; N123-P183 HydrophobicContact CB-CG 4.4Å; N123-P183 VanDerWaalsContact OD1-CD 3.3Å; N123-P183 WeakPolarHBondContact OD1-CD 3.43Å
184Q98.8Very high98.6Very high3 Ų340.5 Ų40.51%0.01423%0.225CC..  trans-140.4121.5172.1-179.2163.5-85.200109.7S28 N119 T120 V188 R190 I193S28-Q184 PolarHBondContact OG-NE2 3.46Å; S28-Q184 PolarHBondContact OG-OE1 3.17Å; N119-Q184 HydrophobicContact CB-CB 4.38Å; N119-Q184 PolarHBondContact OD1-NE2 3.06Å; T120-Q184 PolarHBondContact O-N 3.06Å; Q184-V188 WeakPolarHBondContact CG-O 3.17Å; Q184-V188 PolarHBondContact NE2-O 2.94Å; Q184-R190 HydrophobicContact CG-CG 4.23Å; Q184-I193 HydrophobicContact CB-CG1 4.35Å; Q184-I193 HydrophobicContact CB-CG2 4.3Å
185P98.8Very high98.6Very high69 Ų6940 Ų4045%0.44822%0.224SC..  trans-57.6142.4172-23.133.3000111.5V188P185-V188 HydrophobicContact CB-CB 4.12Å; P185-V188 HydrophobicContact CB-CG2 3.9Å; P185-V188 WeakPolarHBondContact O-CB 3.31Å; P185-V188 PolarHBondContact O-N 2.92Å; P185-V188 VanDerWaalsContact O-N 3.15Å
186Q98.8Very high98.6Very high65 Ų6539.5 Ų39.530%0.30423%0.225SC..THydrogen-bonded Turntrans-59.4140.9173.6-66.1172.31.300110.4N25 T121 V188 E287N25-Q186 HydrophobicContact CB-CB 4.23Å; N25-Q186 PolarHBondContact ND2-OE1 3.38Å; N25-Q186 WeakPolarHBondContact O-CA 3.41Å; T121-Q186 HydrophobicContact CG2-CG 4.25Å; Q186-V188 PolarHBondContact O-N 3.19Å; Q186-E287 PolarHBondContact NE2-OE1 3.3Å
187G98.7Very high98.7Very high38 Ų3838.9 Ų38.939%0.39222%0.221SC..THydrogen-bonded Turntrans73.80.9-17600000114.9N25 M27N25-G187 PolarHBondContact O-N 2.96Å; M27-G187 VanDerWaalsContact CG-C 3.46Å
188V98.9Very high98.7Very high65 Ų6542 Ų4239%0.39423%0.233SC..  trans-111.6135.8178179.60000110.3Q184 P185 Q186 R190Q184-V188 WeakPolarHBondContact CG-O 3.17Å; Q184-V188 PolarHBondContact NE2-O 2.94Å; P185-V188 HydrophobicContact CB-CB 4.12Å; P185-V188 HydrophobicContact CB-CG2 3.9Å; P185-V188 WeakPolarHBondContact O-CB 3.31Å; P185-V188 PolarHBondContact O-N 2.92Å; P185-V188 VanDerWaalsContact O-N 3.15Å; Q186-V188 PolarHBondContact O-N 3.19Å; V188-R190 HydrophobicContact CG1-CG 4.25Å
189L98.8Very high98.7Very high81 Ų8144.4 Ų44.442%0.42425%0.247SC..  trans-103.9119.5171.7-177.366.6000110M27 T31 F194M27-L189 HydrophobicContact CB-CB 4.08Å; M27-L189 HydrophobicContact CB-CD1 4.17Å; T31-L189 HydrophobicContact CG2-CD2 3.95Å; L189-F194 HydrophobicContact CD1-CB 4.13Å; L189-F194 HydrophobicContact CD1-CD2 3.97Å; L189-F194 HydrophobicContact CD1-CG 4.45Å
190R98.8Very high98.7Very high115 Ų11544.4 Ų44.443%0.43425%0.247SC..  trans-106.3129.7174.7-61179.958.997.40.8110.3Q184 V188 N192 I193 F194Q184-R190 HydrophobicContact CG-CG 4.23Å; V188-R190 HydrophobicContact CG1-CG 4.25Å; R190-N192 VanDerWaalsContact C-N 3.33Å; R190-N192 WeakPolarHBondContact CB-OD1 3.49Å; R190-N192 PolarHBondContact NE-OD1 3.3Å; R190-N192 PolarHBondContact O-N 2.83Å; R190-I193 HydrophobicContact CB-CB 4.18Å; R190-I193 HydrophobicContact CB-CG1 3.9Å; R190-I193 PolarHBondContact O-N 3.23Å; R190-F194 WeakPolarHBondContact O-CB 3.34Å; R190-F194 PolarHBondContact O-N 2.88Å
191S98.5Very high98.7Very high97 Ų9744.1 Ų44.168%0.67825%0.246SC*.Hα-helixtrans-58.5-41.9-177.755.20000113.1I193 F194 E195S191-I193 PolarHBondContact O-N 2.92Å; S191-F194 PolarHBondContact O-N 2.82Å; S191-E195 WeakPolarHBondContact O-CB 3.18Å; S191-E195 WeakPolarHBondContact O-CG 3.47Å; S191-E195 PolarHBondContact O-N 2.86Å
192N98.2Very high98.7Very high86 Ų8648.7 Ų48.746%0.4627%0.266SS..Hα-helixtrans-65.3-37.8179.768.2-52.1000112.8R190 A196R190-N192 VanDerWaalsContact C-N 3.33Å; R190-N192 WeakPolarHBondContact CB-OD1 3.49Å; R190-N192 PolarHBondContact NE-OD1 3.3Å; R190-N192 PolarHBondContact O-N 2.83Å; N192-A196 VanDerWaalsContact O-CB 3.29Å; N192-A196 WeakPolarHBondContact O-CB 3.17Å; N192-A196 PolarHBondContact O-N 3.2Å
193I98.6Very high98.7Very high8 Ų850.1 Ų50.14%0.04127%0.272CS..Hα-helixtrans-72.7-43.4178.1-58.6-62.2000110.4N119 V181 Q184 R190 S191 A196 M197N119-I193 WeakPolarHBondContact ND2-CG2 3.37Å; V181-I193 HydrophobicContact CB-CG2 3.91Å; V181-I193 HydrophobicContact CG1-CB 4.47Å; V181-I193 HydrophobicContact CG1-CD1 4Å; V181-I193 HydrophobicContact CG1-CG2 3.76Å; Q184-I193 HydrophobicContact CB-CG1 4.35Å; Q184-I193 HydrophobicContact CB-CG2 4.3Å; R190-I193 HydrophobicContact CB-CB 4.18Å; R190-I193 HydrophobicContact CB-CG1 3.9Å; R190-I193 PolarHBondContact O-N 3.23Å; S191-I193 PolarHBondContact O-N 2.92Å; I193-A196 PolarHBondContact O-N 3.43Å; I193-M197 WeakPolarHBondContact O-CB 3.36Å; I193-M197 PolarHBondContact O-N 2.99Å
194F98.8Very high98.7Very high23 Ų2347.7 Ų47.710%0.10126%0.256CS..Hα-helixtrans-56.6-51.5174.5175.4-89.2000111.7T31 L32 L35 L189 R190 S191 M197 R198T31-F194 HydrophobicContact CG2-CD2 4.38Å; T31-F194 HydrophobicContact CG2-CE2 3.77Å; L32-F194 HydrophobicContact CB-CE2 4.34Å; L32-F194 HydrophobicContact CD1-CD2 4.44Å; L32-F194 HydrophobicContact CD1-CE2 4.49Å; L32-F194 HydrophobicContact CD2-CD1 4.47Å; L32-F194 HydrophobicContact CD2-CD2 3.95Å; L32-F194 HydrophobicContact CD2-CE1 3.89Å; L32-F194 HydrophobicContact CD2-CE2 3.31Å; L32-F194 HydrophobicContact CD2-CZ 3.27Å; L32-F194 HydrophobicContact CG-CD2 3.77Å; L32-F194 HydrophobicContact CG-CE2 3.4Å; L32-F194 VanDerWaalsContact CG-CE2 3.4Å; L32-F194 HydrophobicContact CG-CZ 3.95Å; L35-F194 HydrophobicContact CD2-CZ 4.41Å; L189-F194 HydrophobicContact CD1-CB 4.13Å; L189-F194 HydrophobicContact CD1-CD2 3.97Å; L189-F194 HydrophobicContact CD1-CG 4.45Å; R190-F194 WeakPolarHBondContact O-CB 3.34Å; R190-F194 PolarHBondContact O-N 2.88Å; S191-F194 PolarHBondContact O-N 2.82Å; F194-M197 PolarHBondContact O-N 3.46Å; F194-R198 WeakPolarHBondContact O-CB 3.42Å; F194-R198 PolarHBondContact O-N 2.8Å
195E98.6Very high98.7Very high82 Ų8247.6 Ų47.638%0.38326%0.256SS..Hα-helixtrans-67.8-38.1-179.2-70.6-57.7146.900112.3S191 M197 R198 V199S191-E195 WeakPolarHBondContact O-CB 3.18Å; S191-E195 WeakPolarHBondContact O-CG 3.47Å; S191-E195 PolarHBondContact O-N 2.86Å; E195-M197 PolarHBondContact O-N 2.89Å; E195-R198 WeakPolarHBondContact O-CB 3.32Å; E195-R198 PolarHBondContact O-N 2.86Å; E195-R198 IonicContact OE1-NH1 3.49Å; E195-R198 PolarHBondContact OE1-NH1 3.33Å; E195-R198 IonicContact OE2-NH1 3.24Å; E195-V199 VanDerWaalsContact O-CG2 3.31Å; E195-V199 WeakPolarHBondContact O-CG2 3.46Å; E195-V199 PolarHBondContact O-N 3.43Å
196A98.6Very high98.7Very high19 Ų1946.1 Ų46.116%0.15724%0.244CC..Hα-helixtrans-60.3-48.3175.500000111.8F149 V181 N192 I193 R198 V199 I200F149-A196 HydrophobicContact CZ-CB 4.48Å; V181-A196 HydrophobicContact CG1-CB 4.3Å; N192-A196 VanDerWaalsContact O-CB 3.29Å; N192-A196 WeakPolarHBondContact O-CB 3.17Å; N192-A196 PolarHBondContact O-N 3.2Å; I193-A196 PolarHBondContact O-N 3.43Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 3.17Å; A196-V199 PolarHBondContact O-N 3.19Å; A196-I200 WeakPolarHBondContact O-CD1 3.39Å; A196-I200 VanDerWaalsContact O-CG1 3.25Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.06Å
197M98.8Very high98.7Very high1 Ų143 Ų431%0.00523%0.229CC..Hα-helixtrans-59.7-43.4176.7-176178.6-77.400112L32 L117 H118 V181 I193 F194 E195 V199 I200 L201L32-M197 HydrophobicContact CD1-CB 4.05Å; L32-M197 HydrophobicContact CD1-CG 3.77Å; L32-M197 HydrophobicContact CD1-SD 3.74Å; L117-M197 HydrophobicContact CB-CE 4.29Å; L117-M197 HydrophobicContact CB-SD 3.78Å; L117-M197 HydrophobicContact CD1-CG 4.48Å; L117-M197 HydrophobicContact CD1-SD 3.98Å; L117-M197 HydrophobicContact CD2-CG 4.19Å; L117-M197 HydrophobicContact CD2-SD 4.26Å; L117-M197 HydrophobicContact CG-SD 4.21Å; H118-M197 WeakPolarHBondContact O-CE 3.34Å; V181-M197 HydrophobicContact CB-CE 4.19Å; V181-M197 HydrophobicContact CG2-CB 3.96Å; V181-M197 HydrophobicContact CG2-CE 3.93Å; V181-M197 HydrophobicContact CG2-CG 4.41Å; I193-M197 WeakPolarHBondContact O-CB 3.36Å; I193-M197 PolarHBondContact O-N 2.99Å; F194-M197 PolarHBondContact O-N 3.46Å; E195-M197 PolarHBondContact O-N 2.89Å; M197-V199 PolarHBondContact O-N 2.99Å; M197-I200 PolarHBondContact O-N 3.37Å; M197-L201 PolarHBondContact O-N 3.42Å
198R98.7Very high98.7Very high67 Ų6741.2 Ų41.225%0.25321%0.211SC..Hα-helixtrans-58.6-46.5177.1-172.1178.7-172-170.4-0.6112.2L32 W36 E42 F194 E195 A196 L201 K202L32-R198 HydrophobicContact CD1-CB 4.39Å; L32-R198 HydrophobicContact CD2-CB 3.91Å; L32-R198 HydrophobicContact CD2-CG 3.96Å; W36-R198 HydrophobicContact CZ2-CG 4.18Å; E42-R198 VanDerWaalsContact CD-NH2 3.29Å; E42-R198 WeakPolarHBondContact OE1-CD 3.29Å; E42-R198 WeakPolarHBondContact OE1-CG 3.47Å; E42-R198 IonicContact OE1-CZ 2.72Å; E42-R198 IonicContact OE1-NE 3.53Å; E42-R198 PolarHBondContact OE1-NE 2.94Å; E42-R198 IonicContact OE1-NH2 2.85Å; E42-R198 IonicContact OE2-CZ 3.69Å; E42-R198 VanDerWaalsContact OE2-CZ 3.24Å; E42-R198 IonicContact OE2-NE 2.69Å; E42-R198 PolarHBondContact OE2-NE 3.49Å; E42-R198 IonicContact OE2-NH2 3.87Å; E42-R198 PolarHBondContact OE2-NH2 2.84Å; F194-R198 WeakPolarHBondContact O-CB 3.42Å; F194-R198 PolarHBondContact O-N 2.8Å; E195-R198 WeakPolarHBondContact O-CB 3.32Å; E195-R198 PolarHBondContact O-N 2.86Å; E195-R198 IonicContact OE1-NH1 3.49Å; E195-R198 PolarHBondContact OE1-NH1 3.33Å; E195-R198 IonicContact OE2-NH1 3.24Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 3.17Å; R198-L201 PolarHBondContact O-N 2.83Å; R198-K202 PolarHBondContact O-N 2.82Å
199V98.5Very high98.6Very high50 Ų5038.7 Ų38.730%0.30320%0.196SC..Hα-helixtrans-68.4-41.8179.3173.30000111.9F149 E195 A196 M197 L201 K202 H203F149-V199 HydrophobicContact CD2-CG1 3.79Å; F149-V199 HydrophobicContact CE2-CB 4.08Å; F149-V199 HydrophobicContact CE2-CG1 3.66Å; E195-V199 VanDerWaalsContact O-CG2 3.31Å; E195-V199 WeakPolarHBondContact O-CG2 3.46Å; E195-V199 PolarHBondContact O-N 3.43Å; A196-V199 PolarHBondContact O-N 3.19Å; M197-V199 PolarHBondContact O-N 2.99Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 3.42Å; V199-K202 WeakPolarHBondContact O-CB 3.31Å; V199-K202 PolarHBondContact O-N 2.83Å; V199-H203 WeakPolarHBondContact CG1-NE2 3.44Å; V199-H203 PolarHBondContact O-CD2 2.9Å; V199-H203 VanDerWaalsContact O-CD2 3.22Å; V199-H203 PolarHBondContact O-N 3.4Å; V199-H203 VanDerWaalsContact O-N 3.1Å
200I98.6Very high98.6Very high1 Ų136.9 Ų36.91%0.00519%0.187CC..Hα-helixtrans-59-47176.2-69.7162.9000110.5C126 L128 I145 F149 M179 V181 A196 M197 K202 H203 A204C126-I200 HydrophobicContact CB-CD1 3.58Å; L128-I200 HydrophobicContact CD2-CG2 3.97Å; I145-I200 HydrophobicContact CG2-CG2 4.14Å; F149-I200 HydrophobicContact CD2-CG1 4.27Å; F149-I200 HydrophobicContact CE1-CG1 4.46Å; F149-I200 HydrophobicContact CE2-CG1 4.01Å; F149-I200 HydrophobicContact CZ-CD1 4.34Å; F149-I200 HydrophobicContact CZ-CG1 4.1Å; M179-I200 HydrophobicContact CE-CG2 4Å; M179-I200 HydrophobicContact CG-CG2 4.4Å; M179-I200 HydrophobicContact SD-CG2 4.05Å; V181-I200 HydrophobicContact CG2-CD1 4.37Å; A196-I200 WeakPolarHBondContact O-CD1 3.39Å; A196-I200 VanDerWaalsContact O-CG1 3.25Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.06Å; M197-I200 PolarHBondContact O-N 3.37Å; I200-K202 VanDerWaalsContact C-N 3.34Å; I200-K202 PolarHBondContact O-N 2.9Å; I200-H203 PolarHBondContact O-N 3.05Å; I200-A204 PolarHBondContact O-N 2.87Å
201L98.8Very high98.6Very high1 Ų131.4 Ų31.41%0.00517%0.166CC..Hα-helixtrans-62.9-41177.8-176.266.6000111.9I18 W36 F115 M179 M197 R198 V199 H203 A204 L205I18-L201 HydrophobicContact CD1-CD2 3.81Å; I18-L201 HydrophobicContact CG1-CD1 4.33Å; I18-L201 HydrophobicContact CG1-CD2 4.12Å; I18-L201 HydrophobicContact CG2-CD2 3.8Å; W36-L201 HydrophobicContact CE3-CD2 4.29Å; W36-L201 HydrophobicContact CH2-CD2 3.21Å; W36-L201 HydrophobicContact CH2-CG 4.47Å; W36-L201 HydrophobicContact CZ2-CD2 4.16Å; W36-L201 HydrophobicContact CZ3-CD2 3.28Å; F115-L201 HydrophobicContact CB-CD1 3.82Å; F115-L201 HydrophobicContact CD1-CD1 4.21Å; F115-L201 HydrophobicContact CD2-CD1 3.61Å; F115-L201 HydrophobicContact CE2-CD1 4.21Å; F115-L201 HydrophobicContact CG-CD1 3.6Å; M179-L201 HydrophobicContact CE-CB 4.37Å; M179-L201 HydrophobicContact CE-CD1 3.8Å; M179-L201 HydrophobicContact SD-CB 4.03Å; M179-L201 HydrophobicContact SD-CD1 3.88Å; M197-L201 PolarHBondContact O-N 3.42Å; R198-L201 PolarHBondContact O-N 2.83Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 3.42Å; L201-H203 VanDerWaalsContact C-N 3.31Å; L201-H203 PolarHBondContact O-N 3.1Å; L201-A204 WeakPolarHBondContact O-CB 3.3Å; L201-A204 PolarHBondContact O-N 2.93Å; L201-A204 VanDerWaalsContact O-N 3.12Å; L201-L205 HydrophobicContact CG-CD1 4.23Å; L201-L205 HydrophobicContact CG-CG 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.18Å
202K98.6Very high98.6Very high100 Ų10027.8 Ų27.844%0.43514%0.139SC..Hα-helixtrans-54.4-48.5175.3-176.6-168171.4-171.20111.2R198 V199 I200 A204 L205 D206R198-K202 PolarHBondContact O-N 2.82Å; V199-K202 WeakPolarHBondContact O-CB 3.31Å; V199-K202 PolarHBondContact O-N 2.83Å; I200-K202 VanDerWaalsContact C-N 3.34Å; I200-K202 PolarHBondContact O-N 2.9Å; K202-A204 VanDerWaalsContact C-N 3.32Å; K202-A204 PolarHBondContact O-N 2.86Å; K202-L205 PolarHBondContact O-N 3.09Å; K202-D206 PolarHBondContact O-N 3.06Å
203H98.7Very high98.5Very high31 Ų3129.7 Ų29.714%0.14415%0.145CC..Hα-helixtrans-65.7-34.8178-66.7-47.3000112.9Y144 I145 A148 V199 I200 L201 D206 F207Y144-H203 HydrophobicContact CE1-CB 4.39Å; Y144-H203 WeakPolarHBondContact CE1-O 3.37Å; I145-H203 HydrophobicContact CG1-CB 4.18Å; A148-H203 HydrophobicContact CB-CB 4.31Å; V199-H203 WeakPolarHBondContact CG1-NE2 3.44Å; V199-H203 PolarHBondContact O-CD2 2.9Å; V199-H203 VanDerWaalsContact O-CD2 3.22Å; V199-H203 PolarHBondContact O-N 3.4Å; V199-H203 VanDerWaalsContact O-N 3.1Å; I200-H203 PolarHBondContact O-N 3.05Å; L201-H203 VanDerWaalsContact C-N 3.31Å; L201-H203 PolarHBondContact O-N 3.1Å; H203-D206 PolarHBondContact O-N 3.04Å; H203-F207 PolarHBondContact O-N 2.97Å
204A98.8Very high98.4Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-63.5-42.8174.500000111.7F115 M141 I145 M179 I200 L201 K202 F207 I208F115-A204 HydrophobicContact CD1-CB 4.45Å; F115-A204 HydrophobicContact CE1-CB 3.59Å; F115-A204 HydrophobicContact CE2-CB 4.32Å; F115-A204 HydrophobicContact CZ-CB 3.49Å; F115-A204 VanDerWaalsContact CZ-CB 3.49Å; M141-A204 HydrophobicContact SD-CB 4.09Å; I145-A204 HydrophobicContact CD1-CB 3.7Å; I145-A204 HydrophobicContact CG1-CB 4.35Å; M179-A204 HydrophobicContact CE-CB 3.64Å; I200-A204 PolarHBondContact O-N 2.87Å; L201-A204 WeakPolarHBondContact O-CB 3.3Å; L201-A204 PolarHBondContact O-N 2.93Å; L201-A204 VanDerWaalsContact O-N 3.12Å; K202-A204 VanDerWaalsContact C-N 3.32Å; K202-A204 PolarHBondContact O-N 2.86Å; A204-F207 WeakPolarHBondContact O-CB 3.44Å; A204-F207 PolarHBondContact O-N 2.92Å; A204-I208 WeakPolarHBondContact O-CG1 3.24Å; A204-I208 PolarHBondContact O-N 3.17Å
205L98.8Very high98.4Very high1 Ų134.1 Ų34.11%0.00518%0.177CC..Hα-helixtrans-67.8-38.2175.7-64.3172.6000112.1V16 I43 R45 I50 F115 L201 K202 F207 I208 S209V16-L205 HydrophobicContact CG1-CD2 4.08Å; I43-L205 HydrophobicContact CB-CD1 3.91Å; I43-L205 HydrophobicContact CG2-CD1 4.06Å; R45-L205 HydrophobicContact CG-CB 4.16Å; I50-L205 HydrophobicContact CD1-CD1 4.45Å; I50-L205 HydrophobicContact CD1-CD2 3.97Å; F115-L205 HydrophobicContact CE2-CD2 4.08Å; L201-L205 HydrophobicContact CG-CD1 4.23Å; L201-L205 HydrophobicContact CG-CG 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.18Å; K202-L205 PolarHBondContact O-N 3.09Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-I208 PolarHBondContact O-N 3.08Å; L205-S209 PolarHBondContact O-N 3.28Å
206D98.6Very high98.3Very high37 Ų3735.7 Ų35.720%0.19818%0.184CC..Hα-helixtrans-61.3-43.5175.1-67.1-15000111.1R45 Y144 K202 H203 I208 S209 L210R45-D206 IonicContact CZ-OD1 3.73Å; R45-D206 IonicContact NE-OD1 3.89Å; R45-D206 PolarHBondContact NE-OD1 3.14Å; R45-D206 IonicContact NH2-OD1 3.37Å; R45-D206 PolarHBondContact NH2-OD1 2.95Å; Y144-D206 HydrophobicContact CE1-CB 4.4Å; K202-D206 PolarHBondContact O-N 3.06Å; H203-D206 PolarHBondContact O-N 3.04Å; D206-I208 PolarHBondContact O-N 2.78Å; D206-S209 PolarHBondContact O-N 3.36Å; D206-L210 VanDerWaalsContact O-CG 3.3Å; D206-L210 WeakPolarHBondContact O-CG 3.18Å; D206-L210 PolarHBondContact O-N 2.88Å
207F98.7Very high98.3Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-56.2-48.9173.9169.3-94.1000112.1F137 Q140 M141 Y144 H203 A204 L205 S209 L210 F211 F217 I310F137-F207 HydrophobicContact CD1-CE1 4.43Å; F137-F207 HydrophobicContact CD2-CE1 4.38Å; F137-F207 AromaticContact CE1-CE1 3.99Å; F137-F207 HydrophobicContact CE1-CE1 3.99Å; F137-F207 AromaticContact CE2-CE1 3.92Å; F137-F207 HydrophobicContact CE2-CE1 3.92Å; F137-F207 HydrophobicContact CE2-CZ 4.47Å; F137-F207 HydrophobicContact CZ-CD1 4.42Å; F137-F207 AromaticContact CZ-CE1 3.72Å; F137-F207 HydrophobicContact CZ-CE1 3.72Å; Q140-F207 HydrophobicContact CB-CE2 3.98Å; Q140-F207 HydrophobicContact CB-CZ 3.87Å; M141-F207 HydrophobicContact CB-CD1 3.6Å; M141-F207 HydrophobicContact CB-CD2 4.49Å; M141-F207 HydrophobicContact CB-CE1 3.5Å; M141-F207 HydrophobicContact CB-CE2 4.4Å; M141-F207 HydrophobicContact CB-CG 4.1Å; M141-F207 HydrophobicContact CB-CZ 3.92Å; M141-F207 HydrophobicContact CE-CD1 3.77Å; M141-F207 HydrophobicContact CE-CE1 3.88Å; M141-F207 HydrophobicContact CG-CB 4.25Å; M141-F207 HydrophobicContact CG-CD1 3.47Å; M141-F207 VanDerWaalsContact CG-CD1 3.47Å; M141-F207 HydrophobicContact CG-CE1 3.92Å; M141-F207 HydrophobicContact CG-CG 3.88Å; M141-F207 HydrophobicContact SD-CD1 4.33Å; Y144-F207 HydrophobicContact CD1-CB 3.66Å; Y144-F207 HydrophobicContact CD1-CD2 4.36Å; Y144-F207 HydrophobicContact CD1-CG 4.46Å; Y144-F207 HydrophobicContact CD2-CD2 4.27Å; Y144-F207 HydrophobicContact CE1-CB 4.04Å; Y144-F207 HydrophobicContact CG-CB 4.03Å; Y144-F207 AromaticContact CG-CD2 3.85Å; Y144-F207 HydrophobicContact CG-CD2 3.85Å; Y144-F207 HydrophobicContact CG-CG 4.39Å; H203-F207 PolarHBondContact O-N 2.97Å; A204-F207 WeakPolarHBondContact O-CB 3.44Å; A204-F207 PolarHBondContact O-N 2.92Å; L205-F207 VanDerWaalsContact C-N 3.35Å; F207-S209 VanDerWaalsContact C-N 3.32Å; F207-S209 PolarHBondContact O-N 3.01Å; F207-L210 PolarHBondContact O-N 3.05Å; F207-F211 WeakPolarHBondContact O-CB 3.14Å; F207-F211 PolarHBondContact O-N 2.75Å; F207-F217 HydrophobicContact CD2-CD1 4.29Å; F207-F217 AromaticContact CD2-CE1 3.56Å; F207-F217 HydrophobicContact CD2-CE1 3.56Å; F207-F217 HydrophobicContact CD2-CE2 4.36Å; F207-F217 AromaticContact CD2-CZ 3.59Å; F207-F217 HydrophobicContact CD2-CZ 3.59Å; F207-F217 AromaticContact CE2-CD1 3.82Å; F207-F217 HydrophobicContact CE2-CD1 3.82Å; F207-F217 HydrophobicContact CE2-CD2 4.25Å; F207-F217 AromaticContact CE2-CE1 3.52Å; F207-F217 HydrophobicContact CE2-CE1 3.52Å; F207-F217 AromaticContact CE2-CE2 3.98Å; F207-F217 HydrophobicContact CE2-CE2 3.98Å; F207-F217 HydrophobicContact CE2-CG 4.18Å; F207-F217 AromaticContact CE2-CZ 3.6Å; F207-F217 HydrophobicContact CE2-CZ 3.6Å; F207-I310 HydrophobicContact CZ-CD1 3.93Å
208I98.7Very high98.2Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-63-41.4-179.6-60.3169.4000110.3A13 V16 L48 V113 F115 F137 M141 A204 L205 D206 F211 N212A13-I208 HydrophobicContact CB-CG2 4Å; A13-I208 WeakPolarHBondContact O-CG2 3.5Å; V16-I208 HydrophobicContact CG2-CD1 4.04Å; L48-I208 HydrophobicContact CD1-CB 4.03Å; L48-I208 HydrophobicContact CD1-CG2 3.79Å; L48-I208 HydrophobicContact CD2-CG2 3.71Å; L48-I208 HydrophobicContact CG-CG2 4.46Å; V113-I208 HydrophobicContact CB-CD1 4.28Å; V113-I208 HydrophobicContact CG1-CD1 4.27Å; V113-I208 HydrophobicContact CG2-CD1 3.97Å; F115-I208 HydrophobicContact CE2-CD1 3.78Å; F115-I208 HydrophobicContact CZ-CD1 3.8Å; F137-I208 HydrophobicContact CZ-CG1 4.27Å; M141-I208 HydrophobicContact CE-CD1 4.17Å; M141-I208 HydrophobicContact CE-CG1 3.94Å; A204-I208 WeakPolarHBondContact O-CG1 3.24Å; A204-I208 PolarHBondContact O-N 3.17Å; L205-I208 PolarHBondContact O-N 3.08Å; D206-I208 PolarHBondContact O-N 2.78Å; I208-F211 PolarHBondContact O-N 3.08Å; I208-N212 WeakPolarHBondContact O-CB 3.44Å; I208-N212 PolarHBondContact O-N 3.47Å
209S98.3Very high98.2Very high12 Ų1240.3 Ų40.38%0.08422%0.22CC..Hα-helixtrans-59.8-49.6176.6-162.50000111.4L205 D206 F207 F211 N212 E213L205-S209 PolarHBondContact O-N 3.28Å; D206-S209 PolarHBondContact O-N 3.36Å; F207-S209 VanDerWaalsContact C-N 3.32Å; F207-S209 PolarHBondContact O-N 3.01Å; S209-F211 PolarHBondContact O-N 3.36Å; S209-N212 PolarHBondContact O-N 3.31Å; S209-E213 WeakPolarHBondContact O-CG 3.36Å; S209-E213 PolarHBondContact O-N 3.23Å
210L98.4Very high98.1Very high44 Ų4438.9 Ų38.923%0.2321%0.212CC..Hα-helixtrans-61.3-44.6179.2-70.4170.3000111.8Y144 D206 F207 N212 E213 G214 M215 F217Y144-L210 HydrophobicContact CE2-CD1 3.77Å; Y144-L210 WeakPolarHBondContact OH-CD1 3.35Å; D206-L210 VanDerWaalsContact O-CG 3.3Å; D206-L210 WeakPolarHBondContact O-CG 3.18Å; D206-L210 PolarHBondContact O-N 2.88Å; F207-L210 PolarHBondContact O-N 3.05Å; L210-N212 VanDerWaalsContact C-N 3.35Å; L210-N212 PolarHBondContact O-N 3.39Å; L210-E213 PolarHBondContact O-N 3.41Å; L210-G214 PolarHBondContact O-N 3.12Å; L210-M215 HydrophobicContact CB-CB 4.21Å; L210-M215 HydrophobicContact CB-SD 3.95Å; L210-M215 HydrophobicContact CD1-CE 4.45Å; L210-M215 HydrophobicContact CD1-SD 4.12Å; L210-M215 HydrophobicContact CD2-CE 3.86Å; L210-M215 HydrophobicContact CD2-SD 4.34Å; L210-M215 HydrophobicContact CG-SD 4.37Å; L210-M215 WeakPolarHBondContact O-CB 3.21Å; L210-M215 PolarHBondContact O-N 3.27Å; L210-F217 HydrophobicContact CB-CZ 4.19Å
211F98.4Very high98Very high0 Ų043.2 Ų43.20%024%0.238CC..Hα-helixtrans-58.1-47.6174.5177-93.2000111.5F10 F137 F207 I208 S209 E213 G214 F217 I310 K312F10-F211 HydrophobicContact CB-CE1 4.34Å; F10-F211 HydrophobicContact CB-CZ 3.79Å; F137-F211 HydrophobicContact CD2-CE1 4.47Å; F137-F211 HydrophobicContact CD2-CE2 4.44Å; F137-F211 HydrophobicContact CD2-CZ 4.43Å; F137-F211 HydrophobicContact CE2-CB 4.49Å; F137-F211 AromaticContact CE2-CD1 3.67Å; F137-F211 HydrophobicContact CE2-CD1 3.67Å; F137-F211 HydrophobicContact CE2-CD2 4.16Å; F137-F211 AromaticContact CE2-CE1 3.9Å; F137-F211 HydrophobicContact CE2-CE1 3.9Å; F137-F211 HydrophobicContact CE2-CE2 4.36Å; F137-F211 AromaticContact CE2-CG 3.82Å; F137-F211 HydrophobicContact CE2-CG 3.82Å; F137-F211 HydrophobicContact CE2-CZ 4.26Å; F137-F211 HydrophobicContact CZ-CD1 4.49Å; F207-F211 WeakPolarHBondContact O-CB 3.14Å; F207-F211 PolarHBondContact O-N 2.75Å; I208-F211 PolarHBondContact O-N 3.08Å; S209-F211 PolarHBondContact O-N 3.36Å; F211-E213 VanDerWaalsContact C-N 3.27Å; F211-E213 PolarHBondContact O-N 3.17Å; F211-G214 PolarHBondContact O-N 3.34Å; F211-F217 HydrophobicContact CB-CE2 3.86Å; F211-F217 HydrophobicContact CD2-CD2 4.2Å; F211-F217 HydrophobicContact CD2-CE2 4.17Å; F211-I310 HydrophobicContact CD2-CD1 3.81Å; F211-I310 HydrophobicContact CD2-CG1 4.21Å; F211-I310 HydrophobicContact CE2-CB 4.38Å; F211-I310 HydrophobicContact CE2-CD1 3.83Å; F211-I310 HydrophobicContact CE2-CG1 4.06Å; F211-K312 HydrophobicContact CE1-CB 4.2Å; F211-K312 HydrophobicContact CE1-CG 4.47Å; F211-K312 HydrophobicContact CZ-CB 4.13Å
212N98Very high98Very high20 Ų2043.2 Ų43.211%0.10724%0.239CC..Hα-helixtrans-66.7-27.3179.6-77.7-4.2000113.4A12 A13 L48 I208 S209 L210 G214 K312A12-N212 VanDerWaalsContact CA-OD1 3.24Å; A12-N212 WeakPolarHBondContact CA-OD1 3.26Å; A12-N212 WeakPolarHBondContact CB-OD1 3.32Å; A13-N212 PolarHBondContact N-OD1 2.9Å; A13-N212 PolarHBondContact O-ND2 2.84Å; L48-N212 WeakPolarHBondContact CD2-ND2 2.85Å; I208-N212 WeakPolarHBondContact O-CB 3.44Å; I208-N212 PolarHBondContact O-N 3.47Å; S209-N212 PolarHBondContact O-N 3.31Å; L210-N212 VanDerWaalsContact C-N 3.35Å; L210-N212 PolarHBondContact O-N 3.39Å; N212-G214 PolarHBondContact O-N 2.86Å; N212-K312 WeakPolarHBondContact O-CD 3.36Å; N212-K312 WeakPolarHBondContact O-CE 3.23Å; N212-K312 PolarHBondContact O-NZ 3.19Å
213E97.4Very high97.9Very high127 Ų12742 Ų4259%0.59323%0.234SC*.Hα-helixtrans-73.8-8.8172.6-74.4172-167.900113S209 L210 F211S209-E213 WeakPolarHBondContact O-CG 3.36Å; S209-E213 PolarHBondContact O-N 3.23Å; L210-E213 PolarHBondContact O-N 3.41Å; F211-E213 VanDerWaalsContact C-N 3.27Å; F211-E213 PolarHBondContact O-N 3.17Å
214G96.6Very high97.9Very high37 Ų3740.5 Ų40.538%0.38123%0.227SC..THydrogen-bonded Turntrans99.514.217700000113.9L210 F211 N212 E216L210-G214 PolarHBondContact O-N 3.12Å; F211-G214 PolarHBondContact O-N 3.34Å; N212-G214 PolarHBondContact O-N 2.86Å; G214-E216 PolarHBondContact O-N 3.08Å
215M97.3Very high97.9Very high87 Ų8740.8 Ų40.843%0.42923%0.229SC..  trans-60.3124.1170.3-176.8169.8-78.700109.6L210 F217L210-M215 HydrophobicContact CB-CB 4.21Å; L210-M215 HydrophobicContact CB-SD 3.95Å; L210-M215 HydrophobicContact CD1-CE 4.45Å; L210-M215 HydrophobicContact CD1-SD 4.12Å; L210-M215 HydrophobicContact CD2-CE 3.86Å; L210-M215 HydrophobicContact CD2-SD 4.34Å; L210-M215 HydrophobicContact CG-SD 4.37Å; L210-M215 WeakPolarHBondContact O-CB 3.21Å; L210-M215 PolarHBondContact O-N 3.27Å; M215-F217 HydrophobicContact CB-CE2 4.03Å; M215-F217 HydrophobicContact CB-CZ 4.38Å; M215-F217 HydrophobicContact CG-CD2 4.43Å; M215-F217 HydrophobicContact CG-CE2 3.98Å; M215-F217 HydrophobicContact CG-CZ 4.07Å; M215-F217 WeakPolarHBondContact O-CD2 3.33Å; M215-F217 HydrophobicContact SD-CE1 4.14Å; M215-F217 HydrophobicContact SD-CE2 4.39Å; M215-F217 HydrophobicContact SD-CZ 3.86Å
216E97.1Very high97.9Very high114 Ų11443.1 Ų43.153%0.53324%0.237SC..  trans-83.3132170.3-57.3-162.815800109.2G214 R311G214-E216 PolarHBondContact O-N 3.08Å; E216-R311 HydrophobicContact CB-CB 4.36Å; E216-R311 HydrophobicContact CG-CB 3.83Å; E216-R311 WeakPolarHBondContact OE1-CD 3.44Å; E216-R311 IonicContact OE1-CZ 2.74Å; E216-R311 IonicContact OE1-NE 2.77Å; E216-R311 IonicContact OE1-NH1 2.8Å; E216-R311 PolarHBondContact OE1-NH1 2.83Å
217F97.8Very high97.9Very high17 Ų1741.8 Ų41.88%0.07523%0.231CC..BIsolated β-bridgetrans-104.5116.6176.1-66.4-97.8000108.5Y144 F207 L210 F211 M215 A309 I310Y144-F217 HydrophobicContact CD2-CE1 4.06Å; F207-F217 HydrophobicContact CD2-CD1 4.29Å; F207-F217 AromaticContact CD2-CE1 3.56Å; F207-F217 HydrophobicContact CD2-CE1 3.56Å; F207-F217 HydrophobicContact CD2-CE2 4.36Å; F207-F217 AromaticContact CD2-CZ 3.59Å; F207-F217 HydrophobicContact CD2-CZ 3.59Å; F207-F217 AromaticContact CE2-CD1 3.82Å; F207-F217 HydrophobicContact CE2-CD1 3.82Å; F207-F217 HydrophobicContact CE2-CD2 4.25Å; F207-F217 AromaticContact CE2-CE1 3.52Å; F207-F217 HydrophobicContact CE2-CE1 3.52Å; F207-F217 AromaticContact CE2-CE2 3.98Å; F207-F217 HydrophobicContact CE2-CE2 3.98Å; F207-F217 HydrophobicContact CE2-CG 4.18Å; F207-F217 AromaticContact CE2-CZ 3.6Å; F207-F217 HydrophobicContact CE2-CZ 3.6Å; L210-F217 HydrophobicContact CB-CZ 4.19Å; F211-F217 HydrophobicContact CB-CE2 3.86Å; F211-F217 HydrophobicContact CD2-CD2 4.2Å; F211-F217 HydrophobicContact CD2-CE2 4.17Å; M215-F217 HydrophobicContact CB-CE2 4.03Å; M215-F217 HydrophobicContact CB-CZ 4.38Å; M215-F217 HydrophobicContact CG-CD2 4.43Å; M215-F217 HydrophobicContact CG-CE2 3.98Å; M215-F217 HydrophobicContact CG-CZ 4.07Å; M215-F217 WeakPolarHBondContact O-CD2 3.33Å; M215-F217 HydrophobicContact SD-CE1 4.14Å; M215-F217 HydrophobicContact SD-CE2 4.39Å; M215-F217 HydrophobicContact SD-CZ 3.86Å; F217-A309 CarbonylContact O-C 3.3Å; F217-A309 WeakPolarHBondContact O-CA 3.36Å; F217-A309 WeakPolarHBondContact O-CB 3.38Å; F217-I310 HydrophobicContact CB-CG1 3.77Å; F217-I310 HydrophobicContact CD2-CD1 4.31Å; F217-I310 HydrophobicContact CD2-CG1 4.08Å; F217-I310 HydrophobicContact CG-CG1 4.26Å; F217-I310 PolarHBondContact N-O 2.86Å; F217-I310 PolarHBondContact O-N 2.94Å
218P97.6Very high97.8Very high91 Ų9144.8 Ų44.859%0.59125%0.246SC*.  trans-68.7167-178.829.5-35.6000111.4Q140 C220Q140-P218 PolarHBondContact NE2-O 3.24Å; P218-C220 PolarHBondContact O-N 3.16Å
219P97.6Very high97.6Very high77 Ų7748.7 Ų48.750%0.527%0.265SS..  trans-55.7141.3175.4-20.133.4000110.8A307 A309P219-A307 VanDerWaalsContact CA-O 3.31Å; P219-A307 WeakPolarHBondContact CA-O 3.3Å; P219-A309 HydrophobicContact CG-CB 3.91Å
220C96.9Very high97.5Very high20 Ų2051.7 Ų51.714%0.13527%0.274CS..EExtended strand (participates in β ladder)trans-140.9175.2178.171.30000111.5Q140 N143 P218 A307Q140-C220 PolarHBondContact OE1-SG 3.12Å; N143-C220 VanDerWaalsContact CG-SG 3.59Å; N143-C220 WeakPolarHBondContact ND2-CB 3.34Å; N143-C220 PolarHBondContact ND2-SG 2.99Å; P218-C220 PolarHBondContact O-N 3.16Å; C220-A307 PolarHBondContact N-O 3.1Å; C220-A307 VanDerWaalsContact N-O 3.12Å; C220-A307 PolarHBondContact O-N 3.5Å
221T97.3Very high97.5Very high91 Ų9151.3 Ų51.356%0.55827%0.271SS*.EExtended strand (participates in β ladder)trans-118145171.352.30000110.1T304 L305T221-T304 HydrophobicContact CG2-CG2 3.97Å; T221-L305 CarbonylContact C-O 3.59Å; T221-L305 VanDerWaalsContact CA-O 3.23Å; T221-L305 WeakPolarHBondContact CA-O 3.42Å
222V97.8Very high97.5Very high2 Ų253.4 Ų53.41%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-127118.4177.8-170.40000108.2L139 M142 N143 V156 V224 L305L139-V222 HydrophobicContact CB-CG2 4.34Å; L139-V222 HydrophobicContact CD2-CB 4.24Å; L139-V222 HydrophobicContact CD2-CG2 4.19Å; L139-V222 WeakPolarHBondContact O-CG2 3.16Å; M142-V222 HydrophobicContact CB-CG1 4.34Å; N143-V222 HydrophobicContact CB-CG2 4.07Å; V156-V222 HydrophobicContact CG2-CG1 4.14Å; V222-V224 HydrophobicContact CB-CG1 4.4Å; V222-V224 HydrophobicContact CG1-CG1 3.93Å; V222-L305 PolarHBondContact N-O 2.72Å; V222-L305 PolarHBondContact O-N 3.21Å
223E98.1Very high97.5Very high73 Ų7352.7 Ų52.734%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-72.7126.7167.1-173.7-176.374.600109.3R302 E303E223-R302 HydrophobicContact CG-CG 3.99Å; E223-R302 WeakPolarHBondContact OE2-CD 3.23Å; E223-E303 WeakPolarHBondContact CA-O 3.48Å
224V98.5Very high97.5Very high0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-131.2158-179.7-52.70000110.9V156 L158 V222 R302 E303 L305V156-V224 HydrophobicContact CB-CB 4.42Å; V156-V224 HydrophobicContact CB-CG1 4.01Å; V156-V224 HydrophobicContact CG1-CB 4.29Å; V156-V224 HydrophobicContact CG1-CG1 3.71Å; V156-V224 CarbonylContact O-C 3.55Å; V156-V224 WeakPolarHBondContact O-CA 3.46Å; L158-V224 HydrophobicContact CB-CB 4.31Å; L158-V224 HydrophobicContact CB-CG2 4.29Å; L158-V224 HydrophobicContact CD2-CG2 4.22Å; V222-V224 HydrophobicContact CB-CG1 4.4Å; V222-V224 HydrophobicContact CG1-CG1 3.93Å; V224-R302 WeakPolarHBondContact O-CA 3.21Å; V224-E303 HydrophobicContact CG2-CG 3.64Å; V224-E303 PolarHBondContact N-O 3.49Å; V224-E303 PolarHBondContact O-N 2.96Å; V224-L305 HydrophobicContact CG1-CD1 3.96Å; V224-L305 HydrophobicContact CG1-CG 4.25Å; V224-L305 HydrophobicContact CG2-CD1 3.89Å; V224-L305 HydrophobicContact CG2-CG 3.8Å
225F98.6Very high97.6Very high7 Ų749.5 Ų49.53%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-111.1104171.8-70.9-95000108.1L155 V156 L157 L158 W254 Y281 T300 R302L155-F225 HydrophobicContact CD1-CE2 4.36Å; L155-F225 HydrophobicContact CD2-CE2 4.31Å; V156-F225 PolarHBondContact O-N 3.31Å; L157-F225 HydrophobicContact CD1-CB 4.37Å; L158-F225 PolarHBondContact N-O 2.91Å; F225-W254 HydrophobicContact CB-CE3 4.11Å; F225-W254 HydrophobicContact CB-CZ3 3.64Å; F225-W254 AromaticContact CD1-CE3 3.86Å; F225-W254 HydrophobicContact CD1-CE3 3.86Å; F225-W254 HydrophobicContact CD1-CZ3 4.3Å; F225-W254 AromaticContact CD2-CE3 3.67Å; F225-W254 HydrophobicContact CD2-CE3 3.67Å; F225-W254 AromaticContact CD2-CZ3 3.76Å; F225-W254 HydrophobicContact CD2-CZ3 3.76Å; F225-W254 HydrophobicContact CE1-CE3 4.15Å; F225-W254 AromaticContact CE2-CE3 4Å; F225-W254 HydrophobicContact CE2-CE3 4Å; F225-W254 HydrophobicContact CE2-CZ3 4.49Å; F225-W254 AromaticContact CG-CE3 3.6Å; F225-W254 HydrophobicContact CG-CE3 3.6Å; F225-W254 AromaticContact CG-CZ3 3.64Å; F225-W254 HydrophobicContact CG-CZ3 3.64Å; F225-W254 HydrophobicContact CZ-CB 4.48Å; F225-W254 HydrophobicContact CZ-CE3 4.21Å; F225-Y281 HydrophobicContact CD1-CD2 4.45Å; F225-Y281 HydrophobicContact CD1-CG 4.05Å; F225-Y281 AromaticContact CE1-CD1 3.91Å; F225-Y281 HydrophobicContact CE1-CD1 3.91Å; F225-Y281 HydrophobicContact CE1-CD2 4.31Å; F225-Y281 AromaticContact CE1-CG 3.71Å; F225-Y281 HydrophobicContact CE1-CG 3.71Å; F225-T300 HydrophobicContact CB-CG2 4.35Å; F225-T300 WeakPolarHBondContact CD1-OG1 3.45Å; F225-R302 HydrophobicContact CD1-CB 4.16Å; F225-R302 HydrophobicContact CE1-CB 3.95Å; F225-R302 HydrophobicContact CE1-CG 4.12Å; F225-R302 HydrophobicContact CZ-CB 4.5Å; F225-R302 HydrophobicContact CZ-CG 4.16Å
226R98.3Very high97.6Very high49 Ų4948.1 Ų48.119%0.18525%0.247CC..EExtended strand (participates in β ladder)trans-83.1124.6-177.9-178.9-179-65-87.91.1110.4L158 E160 L228 T300 R301 E303L158-R226 HydrophobicContact CD2-CB 4.4Å; L158-R226 HydrophobicContact CD2-CG 4.32Å; E160-R226 IonicContact OE2-CZ 2.7Å; E160-R226 IonicContact OE2-NH1 3.96Å; E160-R226 PolarHBondContact OE2-NH1 3.44Å; E160-R226 IonicContact OE2-NH2 2.93Å; R226-L228 PolarHBondContact O-N 2.88Å; R226-T300 CarbonylContact O-C 3.59Å; R226-T300 WeakPolarHBondContact O-CA 3.27Å; R226-T300 VanDerWaalsContact O-CB 3.27Å; R226-T300 WeakPolarHBondContact O-CB 3.44Å; R226-R301 PolarHBondContact N-O 3.39Å; R226-R301 PolarHBondContact O-N 3.36Å; R226-E303 IonicContact CZ-OE1 3.7Å; R226-E303 IonicContact NE-OE1 2.71Å; R226-E303 PolarHBondContact NE-OE1 3.04Å; R226-E303 IonicContact NE-OE2 3.58Å; R226-E303 IonicContact NH2-OE1 2.93Å; R226-E303 PolarHBondContact NH2-OE1 2.99Å
227V98.1Very high97.6Very high10 Ų1047.9 Ų47.96%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-57.3130.8174.51700000111.2L157 L158 N159 H161 L164 V298L157-V227 HydrophobicContact CD1-CG2 4.04Å; L157-V227 HydrophobicContact CD2-CG2 4.47Å; L157-V227 HydrophobicContact CG-CG2 4.21Å; L158-V227 PolarHBondContact O-N 3.23Å; N159-V227 HydrophobicContact CB-CG2 4.21Å; H161-V227 HydrophobicContact CB-CG1 4.29Å; L164-V227 HydrophobicContact CB-CG1 4.43Å; L164-V227 HydrophobicContact CD1-CG1 3.86Å; V227-V298 HydrophobicContact CB-CG1 4.18Å; V227-V298 HydrophobicContact CG1-CG1 3.63Å; V227-V298 HydrophobicContact CG2-CG1 3.9Å
228L96.6Very high97.5Very high63 Ų6353.6 Ų53.633%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-109.2-65.1176.7-61178.9000111.2H161 R226 V280 T299 R301H161-L228 PolarHBondContact CD2-O 2.93Å; H161-L228 VanDerWaalsContact CD2-O 3.28Å; H161-L228 PolarHBondContact NE2-O 3.12Å; R226-L228 PolarHBondContact O-N 2.88Å; L228-V280 HydrophobicContact CD1-CG1 4.09Å; L228-T299 PolarHBondContact N-O 3.27Å; L228-R301 HydrophobicContact CD1-CB 4.08Å; L228-R301 HydrophobicContact CD2-CB 4.18Å; L228-R301 HydrophobicContact CG-CB 4.3Å
229E95.4Very high97.4Very high82 Ų8250.9 Ų50.938%0.38329%0.285SS..EExtended strand (participates in β ladder)trans-144.3159.8-173.654.7176.5-174.600111.4M231 V298 T299E229-M231 HydrophobicContact CG-SD 4.44Å; E229-V298 WeakPolarHBondContact O-CA 3.34Å; E229-T299 HydrophobicContact CG-CG2 4.17Å; E229-T299 WeakPolarHBondContact CG-OG1 3.38Å; E229-T299 PolarHBondContact O-N 2.81Å; E229-T299 PolarHBondContact OE1-OG1 3.41Å
230R96.2Very high97.4Very high74 Ų7451.7 Ų51.728%0.27929%0.285SS..EExtended strand (participates in β ladder)trans-96132168.8-67.8177.4-172.2155.715.6108.4L164 Y166 Q295 V298L164-R230 HydrophobicContact CD1-CG 4.27Å; L164-R230 HydrophobicContact CD2-CG 4.07Å; L164-R230 PolarHBondContact O-NH2 2.85Å; Y166-R230 VanDerWaalsContact CE1-NH2 3.35Å; Y166-R230 PolarHBondContact OH-NH1 3.23Å; Y166-R230 PolarHBondContact OH-NH2 3.03Å; R230-Q295 HydrophobicContact CB-CG 4.16Å; R230-Q295 HydrophobicContact CG-CG 4.12Å; R230-V298 HydrophobicContact CG-CG2 4.03Å
231M97.8Very high97.5Very high36 Ų3652.7 Ų52.718%0.17729%0.289CS..EExtended strand (participates in β ladder)trans-101.8117.1171.9-64.2-59.7-71.600108E229 M263 Q295 A296 F297 T299E229-M231 HydrophobicContact CG-SD 4.44Å; M231-M263 HydrophobicContact CE-CE 4.03Å; M231-M263 HydrophobicContact CE-SD 3.71Å; M231-Q295 CarbonylContact O-C 3.52Å; M231-Q295 WeakPolarHBondContact O-CA 3.23Å; M231-A296 WeakPolarHBondContact O-CB 3.49Å; M231-A296 PolarHBondContact O-N 2.99Å; M231-F297 HydrophobicContact CB-CD1 4.21Å; M231-F297 HydrophobicContact CB-CD2 3.97Å; M231-F297 HydrophobicContact CB-CE1 3.91Å; M231-F297 HydrophobicContact CB-CE2 3.67Å; M231-F297 HydrophobicContact CB-CG 4.24Å; M231-F297 HydrophobicContact CB-CZ 3.62Å; M231-F297 HydrophobicContact CG-CD2 3.99Å; M231-F297 HydrophobicContact CG-CE1 4.46Å; M231-F297 HydrophobicContact CG-CE2 3.41Å; M231-F297 VanDerWaalsContact CG-CE2 3.41Å; M231-F297 HydrophobicContact CG-CZ 3.68Å; M231-F297 PolarHBondContact N-O 2.9Å; M231-F297 PolarHBondContact O-N 3.34Å; M231-T299 HydrophobicContact CG-CG2 3.79Å
232D98.3Very high97.6Very high44 Ų4451.5 Ų51.524%0.23528%0.278CS..PPolyproline II helixtrans-77.7161.6171.3-167.313.4000110.5R235 F264 Q294D232-R235 IonicContact OD1-CZ 3.34Å; D232-R235 IonicContact OD1-NE 3.3Å; D232-R235 PolarHBondContact OD1-NE 2.85Å; D232-R235 IonicContact OD1-NH2 3.75Å; D232-R235 PolarHBondContact OD1-NH2 3.12Å; D232-R235 WeakPolarHBondContact OD2-CD 3.37Å; D232-R235 IonicContact OD2-CZ 3.32Å; D232-R235 IonicContact OD2-NE 3.29Å; D232-R235 PolarHBondContact OD2-NE 2.86Å; D232-R235 IonicContact OD2-NH2 3.66Å; D232-F264 VanDerWaalsContact O-CZ 3.24Å; D232-F264 WeakPolarHBondContact O-CZ 3.39Å; D232-Q294 WeakPolarHBondContact CA-O 2.9Å; D232-Q294 HydrophobicContact CB-CB 4.27Å; D232-Q294 WeakPolarHBondContact CB-O 3.42Å; D232-Q294 VanDerWaalsContact CG-C 3.49Å; D232-Q294 VanDerWaalsContact CG-CB 3.47Å; D232-Q294 WeakPolarHBondContact OD1-CA 3.37Å; D232-Q294 WeakPolarHBondContact OD2-CB 3.47Å
233Y98.6Very high97.6Very high5 Ų551.4 Ų51.42%0.0228%0.278CS..PPolyproline II helixtrans-62.5144.1163.2-64.9-89.1000110.1R235 I241 V245 F264 N286 Y291 A296Y233-R235 PolarHBondContact O-N 3Å; Y233-I241 HydrophobicContact CD1-CD1 4.37Å; Y233-I241 HydrophobicContact CD1-CG2 4.16Å; Y233-I241 HydrophobicContact CD2-CD1 3.82Å; Y233-I241 HydrophobicContact CE2-CD1 4.42Å; Y233-I241 HydrophobicContact CG-CD1 3.79Å; Y233-I241 HydrophobicContact CG-CG1 4.22Å; Y233-I241 HydrophobicContact CG-CG2 4.19Å; Y233-V245 HydrophobicContact CE1-CG2 4.11Å; Y233-F264 HydrophobicContact CD1-CE1 4.41Å; Y233-N286 PolarHBondContact OH-OD1 3.17Å; Y233-Y291 HydrophobicContact CE1-CE1 4.15Å; Y233-Y291 HydrophobicContact CE2-CD1 4.04Å; Y233-Y291 HydrophobicContact CE2-CD2 4.3Å; Y233-Y291 HydrophobicContact CE2-CE1 4.09Å; Y233-Y291 HydrophobicContact CE2-CE2 4.36Å; Y233-Y291 HydrophobicContact CE2-CG 4.16Å; Y233-Y291 AromaticContact CZ-CE1 3.77Å; Y233-Y291 AromaticContact CZ-CE2 3.89Å; Y233-Y291 AromaticContact CZ-CZ 3.62Å; Y233-Y291 WeakPolarHBondContact OH-CE2 3.27Å; Y233-A296 HydrophobicContact CD1-CB 3.86Å; Y233-A296 HydrophobicContact CD2-CB 3.71Å; Y233-A296 HydrophobicContact CE1-CB 3.75Å; Y233-A296 HydrophobicContact CE2-CB 3.58Å; Y233-A296 HydrophobicContact CG-CB 3.83Å
234P98.2Very high97.6Very high26 Ų2652 Ų5217%0.16928%0.282CS..PPolyproline II helixtrans-57.8131.6166.8-2636.1000110.8I242 A243 F264 I272P234-I242 HydrophobicContact CB-CD1 4.46Å; P234-I242 HydrophobicContact CB-CG1 4.05Å; P234-I242 VanDerWaalsContact O-CG1 3.27Å; P234-I242 WeakPolarHBondContact O-CG1 3.31Å; P234-I242 PolarHBondContact O-N 3.09Å; P234-A243 HydrophobicContact CB-CB 3.91Å; P234-A243 HydrophobicContact CG-CB 3.77Å; P234-F264 HydrophobicContact CG-CB 3.98Å; P234-F264 HydrophobicContact CG-CD1 4.46Å; P234-F264 HydrophobicContact CG-CD2 3.53Å; P234-F264 HydrophobicContact CG-CE2 4.1Å; P234-F264 HydrophobicContact CG-CG 3.75Å; P234-I272 HydrophobicContact CB-CD1 3.94Å; P234-I272 HydrophobicContact CG-CD1 3.64Å
235R98Very high97.6Very high72 Ų7252.3 Ų52.327%0.27228%0.283SS..BIsolated β-bridgetrans-126.8153.6-177.4-68.9171.8-168.6-84.3-5.6112.8D232 Y233 G239 N240 I241 Y291D232-R235 IonicContact OD1-CZ 3.34Å; D232-R235 IonicContact OD1-NE 3.3Å; D232-R235 PolarHBondContact OD1-NE 2.85Å; D232-R235 IonicContact OD1-NH2 3.75Å; D232-R235 PolarHBondContact OD1-NH2 3.12Å; D232-R235 WeakPolarHBondContact OD2-CD 3.37Å; D232-R235 IonicContact OD2-CZ 3.32Å; D232-R235 IonicContact OD2-NE 3.29Å; D232-R235 PolarHBondContact OD2-NE 2.86Å; D232-R235 IonicContact OD2-NH2 3.66Å; Y233-R235 PolarHBondContact O-N 3Å; R235-G239 WeakPolarHBondContact CD-O 3.38Å; R235-G239 PolarHBondContact NH1-O 2.8Å; R235-N240 CarbonylContact C-O 3.5Å; R235-N240 WeakPolarHBondContact CA-O 3.28Å; R235-N240 WeakPolarHBondContact CB-O 3.4Å; R235-I241 HydrophobicContact CG-CG1 4.37Å; R235-Y291 PolarHBondContact NH2-O 3.45Å
236D97Very high97.7Very high57 Ų5752.9 Ų52.931%0.30529%0.286SS..  trans-77.7179.3168.471.710.7000112N238 G239 N240 I242D236-N238 PolarHBondContact O-N 3.28Å; D236-N238 VanDerWaalsContact OD1-CA 3.31Å; D236-N238 WeakPolarHBondContact OD1-CA 3.21Å; D236-N238 WeakPolarHBondContact OD1-CB 3.49Å; D236-N238 PolarHBondContact OD1-N 3.45Å; D236-G239 PolarHBondContact O-N 2.74Å; D236-G239 PolarHBondContact OD1-N 3.34Å; D236-N240 PolarHBondContact N-O 2.68Å; D236-N240 PolarHBondContact OD1-N 3.2Å; D236-N240 PolarHBondContact OD1-ND2 2.87Å; D236-N240 PolarHBondContact OD2-ND2 3.36Å; D236-I242 HydrophobicContact CB-CG2 3.8Å
237A96.9Very high97.7Very high109 Ų10954.1 Ų54.190%0.90130%0.3SS*.THydrogen-bonded Turntrans-64.3-16.8178.200000114.2
238N96.6Very high97.7Very high137 Ų13759 Ų5973%0.73333%0.326SS*.THydrogen-bonded Turntrans-93.2-0.9176.4-59.7-47.9000112.1D236D236-N238 PolarHBondContact O-N 3.28Å; D236-N238 VanDerWaalsContact OD1-CA 3.31Å; D236-N238 WeakPolarHBondContact OD1-CA 3.21Å; D236-N238 WeakPolarHBondContact OD1-CB 3.49Å; D236-N238 PolarHBondContact OD1-N 3.45Å
239G95.8Very high97.8Very high35 Ų3556.3 Ų56.336%0.36131%0.312SS..SBendtrans83.36.9-177.900000114.6R235 D236R235-G239 WeakPolarHBondContact CD-O 3.38Å; R235-G239 PolarHBondContact NH1-O 2.8Å; D236-G239 PolarHBondContact O-N 2.74Å; D236-G239 PolarHBondContact OD1-N 3.34Å
240N97.3Very high97.9Very high94 Ų9454.9 Ų54.950%0.50331%0.305SS..  trans-75139.3175.8-56.3-56.9000110.1R235 D236 I242R235-N240 CarbonylContact C-O 3.5Å; R235-N240 WeakPolarHBondContact CA-O 3.28Å; R235-N240 WeakPolarHBondContact CB-O 3.4Å; D236-N240 PolarHBondContact N-O 2.68Å; D236-N240 PolarHBondContact OD1-N 3.2Å; D236-N240 PolarHBondContact OD1-ND2 2.87Å; D236-N240 PolarHBondContact OD2-ND2 3.36Å; N240-I242 PolarHBondContact O-N 3.24Å
241I98.3Very high98.1Very high40 Ų4055 Ų5521%0.20531%0.312CS..BIsolated β-bridgetrans-64.6130.3172.6-64.2176.5000109Y233 R235 A243 F267 Y291Y233-I241 HydrophobicContact CD1-CD1 4.37Å; Y233-I241 HydrophobicContact CD1-CG2 4.16Å; Y233-I241 HydrophobicContact CD2-CD1 3.82Å; Y233-I241 HydrophobicContact CE2-CD1 4.42Å; Y233-I241 HydrophobicContact CG-CD1 3.79Å; Y233-I241 HydrophobicContact CG-CG1 4.22Å; Y233-I241 HydrophobicContact CG-CG2 4.19Å; R235-I241 HydrophobicContact CG-CG1 4.37Å; I241-A243 WeakPolarHBondContact CG2-O 3.37Å; I241-F267 HydrophobicContact CG2-CZ 4.24Å; I241-F267 WeakPolarHBondContact O-CE2 3.21Å; I241-Y291 HydrophobicContact CD1-CD1 3.5Å; I241-Y291 VanDerWaalsContact CD1-CD1 3.5Å; I241-Y291 HydrophobicContact CD1-CE1 3.85Å
242I98.5Very high98.1Very high67 Ų6754.6 Ų54.634%0.34431%0.312SS..  trans-116-2.2179.356.9160.1000113.5P234 D236 N240 T266 F267P234-I242 HydrophobicContact CB-CD1 4.46Å; P234-I242 HydrophobicContact CB-CG1 4.05Å; P234-I242 VanDerWaalsContact O-CG1 3.27Å; P234-I242 WeakPolarHBondContact O-CG1 3.31Å; P234-I242 PolarHBondContact O-N 3.09Å; D236-I242 HydrophobicContact CB-CG2 3.8Å; N240-I242 PolarHBondContact O-N 3.24Å; I242-T266 WeakPolarHBondContact O-CA 3.4Å; I242-F267 PolarHBondContact O-N 2.87Å
243A98.6Very high98.1Very high0 Ų052.9 Ų52.90%030%0.303CS..EExtended strand (participates in β ladder)trans-146.8147.3177.800000111.2P234 I241 F264 Q265 T266 I272P234-A243 HydrophobicContact CB-CB 3.91Å; P234-A243 HydrophobicContact CG-CB 3.77Å; I241-A243 WeakPolarHBondContact CG2-O 3.37Å; A243-F264 HydrophobicContact CB-CB 3.99Å; A243-Q265 CarbonylContact C-O 3.58Å; A243-Q265 VanDerWaalsContact CA-O 3.24Å; A243-Q265 WeakPolarHBondContact CA-O 3.48Å; A243-Q265 WeakPolarHBondContact CB-O 3.46Å; A243-T266 HydrophobicContact CB-CG2 4Å; A243-I272 HydrophobicContact CB-CD1 4.2Å
244M98.6Very high98.1Very high86 Ų8654.1 Ų54.142%0.42431%0.307SS..EExtended strand (participates in β ladder)trans-99.8164.1172.759.6-170174.300110.6H246 F264 Q265M244-H246 PolarHBondContact O-N 2.8Å; M244-F264 CarbonylContact O-C 3.53Å; M244-F264 VanDerWaalsContact O-CA 3.24Å; M244-F264 WeakPolarHBondContact O-CA 3.4Å; M244-F264 WeakPolarHBondContact O-CB 3.41Å; M244-Q265 PolarHBondContact N-O 2.87Å; M244-Q265 PolarHBondContact O-N 2.98Å
245V98.8Very high98.1Very high6 Ų658 Ų584%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-52.7132.4168.6175.40000108.6Y233 L249 Q250 F264 I285 N286 A296Y233-V245 HydrophobicContact CE1-CG2 4.11Å; V245-L249 HydrophobicContact CG1-CB 4.05Å; V245-L249 HydrophobicContact CG1-CD2 4.25Å; V245-L249 HydrophobicContact CG1-CG 4.03Å; V245-Q250 HydrophobicContact CG1-CB 4.3Å; V245-F264 HydrophobicContact CG2-CE1 4.34Å; V245-I285 HydrophobicContact CG1-CG2 3.68Å; V245-I285 HydrophobicContact CG2-CG2 4.3Å; V245-N286 HydrophobicContact CG2-CB 4.08Å; V245-A296 HydrophobicContact CG2-CB 4.43Å
246H98.9Very high98.2Very high18 Ų1858.1 Ų58.18%0.08333%0.334CS..PPolyproline II helixtrans-65.1143.3-177.9-170.8-86.6000110.4M244 N248 L249 Q250 P262 M263M244-H246 PolarHBondContact O-N 2.8Å; H246-N248 WeakPolarHBondContact ND1-CB 3.48Å; H246-N248 PolarHBondContact ND1-N 2.89Å; H246-N248 VanDerWaalsContact ND1-N 3.13Å; H246-N248 PolarHBondContact O-N 2.82Å; H246-N248 VanDerWaalsContact O-N 3.11Å; H246-L249 WeakPolarHBondContact O-CA 3.48Å; H246-L249 PolarHBondContact O-N 2.77Å; H246-Q250 PolarHBondContact O-N 3.37Å; H246-P262 HydrophobicContact CB-CB 4.44Å; H246-M263 WeakPolarHBondContact CB-O 3.36Å; H246-M263 PolarHBondContact N-O 3.04Å
247P98.5Very high98.2Very high75 Ų7555.7 Ų55.749%0.48732%0.321SS..THydrogen-bonded Turntrans-54.2-34.1-179.6-29.635.6000114.8L249P247-L249 VanDerWaalsContact C-N 3.26Å; P247-L249 PolarHBondContact O-N 3.04Å
248N98.5Very high98.3Very high114 Ų11453.3 Ų53.361%0.6129%0.293SS*.THydrogen-bonded Turntrans-73.7-12.5176.3-60.911.9000114.5H246 P262H246-N248 WeakPolarHBondContact ND1-CB 3.48Å; H246-N248 PolarHBondContact ND1-N 2.89Å; H246-N248 VanDerWaalsContact ND1-N 3.13Å; H246-N248 PolarHBondContact O-N 2.82Å; H246-N248 VanDerWaalsContact O-N 3.11Å; N248-P262 HydrophobicContact CB-CG 3.94Å
249L98.8Very high98.4Very high6 Ų649.9 Ų49.93%0.03128%0.278CS..THydrogen-bonded Turntrans-105.8-26.4176.1178.559.3000111.5V245 H246 P247 D251 C252 L257 M263 P282 I285 F297V245-L249 HydrophobicContact CG1-CB 4.05Å; V245-L249 HydrophobicContact CG1-CD2 4.25Å; V245-L249 HydrophobicContact CG1-CG 4.03Å; H246-L249 WeakPolarHBondContact O-CA 3.48Å; H246-L249 PolarHBondContact O-N 2.77Å; P247-L249 VanDerWaalsContact C-N 3.26Å; P247-L249 PolarHBondContact O-N 3.04Å; L249-D251 PolarHBondContact O-N 2.81Å; L249-C252 WeakPolarHBondContact O-CB 3.18Å; L249-C252 PolarHBondContact O-N 3.49Å; L249-C252 VanDerWaalsContact O-N 3.1Å; L249-L257 HydrophobicContact CD1-CD1 4.39Å; L249-M263 HydrophobicContact CD2-CB 4.49Å; L249-M263 HydrophobicContact CD2-CG 4.09Å; L249-P282 HydrophobicContact CD1-CB 4.38Å; L249-P282 HydrophobicContact CD1-CG 3.66Å; L249-I285 HydrophobicContact CD1-CD1 3.77Å; L249-I285 HydrophobicContact CG-CD1 4.19Å; L249-I285 WeakPolarHBondContact O-CD1 3.41Å; L249-F297 HydrophobicContact CD2-CD1 4.28Å; L249-F297 HydrophobicContact CD2-CE1 3.8Å; L249-F297 HydrophobicContact CD2-CZ 4.12Å
250Q98.9Very high98.6Very high51 Ų5150.2 Ų50.224%0.23828%0.281CS..THydrogen-bonded Turntrans-54.5131.8176.6-177.860.359.500110.1V245 H246 C252 N286V245-Q250 HydrophobicContact CG1-CB 4.3Å; H246-Q250 PolarHBondContact O-N 3.37Å; Q250-C252 PolarHBondContact O-N 2.86Å; Q250-C252 VanDerWaalsContact O-N 3.13Å; Q250-N286 PolarHBondContact OE1-ND2 2.85Å
251D98.7Very high98.6Very high77 Ų7748.3 Ų48.341%0.41227%0.271SS..THydrogen-bonded Turntrans646.1-179.6-52-33.7000115.8N123 L249 D253N123-D251 HydrophobicContact CB-CB 3.78Å; N123-D251 PolarHBondContact ND2-O 2.82Å; L249-D251 PolarHBondContact O-N 2.81Å; D251-D253 VanDerWaalsContact C-N 3.28Å; D251-D253 PolarHBondContact O-N 3.05Å
252C98.6Very high98.6Very high27 Ų2747.7 Ų47.718%0.18227%0.27CS..  trans-91.136.3177-68.80000112.6L249 Q250 W254 E255L249-C252 WeakPolarHBondContact O-CB 3.18Å; L249-C252 PolarHBondContact O-N 3.49Å; L249-C252 VanDerWaalsContact O-N 3.1Å; Q250-C252 PolarHBondContact O-N 2.86Å; Q250-C252 VanDerWaalsContact O-N 3.13Å; C252-W254 PolarHBondContact O-N 2.98Å; C252-E255 HydrophobicContact CB-CB 4.1Å; C252-E255 HydrophobicContact CB-CG 4.17Å; C252-E255 WeakPolarHBondContact CB-OE2 3.31Å; C252-E255 WeakPolarHBondContact O-CB 3.04Å; C252-E255 PolarHBondContact O-N 2.87Å; C252-E255 PolarHBondContact SG-OE2 2.93Å
253D98.8Very high98.6Very high9 Ų945.1 Ų45.15%0.04826%0.257CS..THydrogen-bonded Turntrans-53.9140.5173.1-68.2-100.7000109.5N123 M124 D251 E255 P282 T283 F284 I285N123-D253 WeakPolarHBondContact CA-OD2 3.38Å; N123-D253 PolarHBondContact N-OD2 3.15Å; M124-D253 HydrophobicContact CG-CB 4.26Å; M124-D253 WeakPolarHBondContact CG-OD1 3.49Å; D251-D253 VanDerWaalsContact C-N 3.28Å; D251-D253 PolarHBondContact O-N 3.05Å; D253-E255 PolarHBondContact O-N 2.77Å; D253-E255 VanDerWaalsContact O-N 3.13Å; D253-P282 WeakPolarHBondContact CA-O 3.32Å; D253-T283 VanDerWaalsContact OD1-C 3.3Å; D253-T283 VanDerWaalsContact OD1-CA 3.32Å; D253-T283 WeakPolarHBondContact OD1-CA 3.48Å; D253-F284 PolarHBondContact OD1-N 3.31Å; D253-I285 HydrophobicContact CB-CD1 4.46Å; D253-I285 PolarHBondContact OD1-N 3.31Å
254W98.5Very high98.6Very high30 Ų3045.3 Ų45.311%0.11426%0.257CS..THydrogen-bonded Turntrans69.1-8.6-177.6-38.2103.8000116.6M124 T127 L155 L157 F225 C252 Y281 P282 T283M124-W254 HydrophobicContact CB-CZ2 4.2Å; M124-W254 HydrophobicContact CE-CH2 3.81Å; M124-W254 HydrophobicContact CE-CZ2 3.49Å; M124-W254 VanDerWaalsContact CE-CZ2 3.49Å; M124-W254 HydrophobicContact CG-CZ2 4.32Å; M124-W254 PolarHBondContact O-NE1 3.22Å; T127-W254 HydrophobicContact CG2-CH2 3.87Å; T127-W254 HydrophobicContact CG2-CZ2 3.87Å; T127-W254 WeakPolarHBondContact OG1-CZ2 3.44Å; L155-W254 HydrophobicContact CB-CD2 4.44Å; L155-W254 HydrophobicContact CB-CH2 4.4Å; L155-W254 HydrophobicContact CB-CZ2 4.25Å; L155-W254 HydrophobicContact CD1-CB 3.87Å; L155-W254 HydrophobicContact CD1-CD2 3.4Å; L155-W254 VanDerWaalsContact CD1-CD2 3.4Å; L155-W254 HydrophobicContact CD1-CE3 4.02Å; L155-W254 HydrophobicContact CD1-CG 3.3Å; L155-W254 HydrophobicContact CD1-CZ2 4.46Å; L157-W254 HydrophobicContact CB-CH2 4.15Å; L157-W254 HydrophobicContact CD1-CH2 4.1Å; L157-W254 HydrophobicContact CD1-CZ3 4.09Å; F225-W254 HydrophobicContact CB-CE3 4.11Å; F225-W254 HydrophobicContact CB-CZ3 3.64Å; F225-W254 AromaticContact CD1-CE3 3.86Å; F225-W254 HydrophobicContact CD1-CE3 3.86Å; F225-W254 HydrophobicContact CD1-CZ3 4.3Å; F225-W254 AromaticContact CD2-CE3 3.67Å; F225-W254 HydrophobicContact CD2-CE3 3.67Å; F225-W254 AromaticContact CD2-CZ3 3.76Å; F225-W254 HydrophobicContact CD2-CZ3 3.76Å; F225-W254 HydrophobicContact CE1-CE3 4.15Å; F225-W254 AromaticContact CE2-CE3 4Å; F225-W254 HydrophobicContact CE2-CE3 4Å; F225-W254 HydrophobicContact CE2-CZ3 4.49Å; F225-W254 AromaticContact CG-CE3 3.6Å; F225-W254 HydrophobicContact CG-CE3 3.6Å; F225-W254 AromaticContact CG-CZ3 3.64Å; F225-W254 HydrophobicContact CG-CZ3 3.64Å; F225-W254 HydrophobicContact CZ-CB 4.48Å; F225-W254 HydrophobicContact CZ-CE3 4.21Å; C252-W254 PolarHBondContact O-N 2.98Å; W254-Y281 VanDerWaalsContact O-CD1 3.31Å; W254-Y281 WeakPolarHBondContact O-CD1 3.39Å; W254-P282 PolarHBondContact N-O 3.42Å; W254-T283 HydrophobicContact CD2-CG2 4.02Å; W254-T283 HydrophobicContact CE3-CG2 3.46Å; W254-T283 VanDerWaalsContact CE3-CG2 3.46Å; W254-T283 HydrophobicContact CH2-CG2 3.67Å; W254-T283 HydrophobicContact CZ2-CG2 4.2Å; W254-T283 HydrophobicContact CZ3-CG2 3.26Å
255E98.5Very high98.6Very high109 Ų10943.4 Ų43.451%0.50925%0.247SC..SBendtrans-77.1153.5175.2-59.6-166.116900110.8C252 D253 L257 P282C252-E255 HydrophobicContact CB-CB 4.1Å; C252-E255 HydrophobicContact CB-CG 4.17Å; C252-E255 WeakPolarHBondContact CB-OE2 3.31Å; C252-E255 WeakPolarHBondContact O-CB 3.04Å; C252-E255 PolarHBondContact O-N 2.87Å; C252-E255 PolarHBondContact SG-OE2 2.93Å; D253-E255 PolarHBondContact O-N 2.77Å; D253-E255 VanDerWaalsContact O-N 3.13Å; E255-L257 PolarHBondContact O-N 3.28Å; E255-P282 VanDerWaalsContact O-CD 3.29Å; E255-P282 WeakPolarHBondContact O-CD 3.41Å
256P98.5Very high98.6Very high74 Ų7444 Ų4448%0.48125%0.251SS..  trans-69.1130179.527.3-34000112.1T279 Y281P256-T279 HydrophobicContact CB-CG2 3.59Å; P256-Y281 HydrophobicContact CB-CD1 4.48Å; P256-Y281 HydrophobicContact CB-CE1 4.14Å
257L98.7Very high98.6Very high6 Ų649.9 Ų49.93%0.03128%0.276CS..BIsolated β-bridgetrans-107.4111.8167.317969000109L249 E255 D261 Y274 T279 V280 P282 F297L249-L257 HydrophobicContact CD1-CD1 4.39Å; E255-L257 PolarHBondContact O-N 3.28Å; L257-D261 HydrophobicContact CD1-CB 3.68Å; L257-Y274 HydrophobicContact CD2-CD1 4.16Å; L257-Y274 HydrophobicContact CD2-CD2 3.98Å; L257-Y274 HydrophobicContact CD2-CE2 4.46Å; L257-Y274 HydrophobicContact CD2-CG 3.81Å; L257-Y274 HydrophobicContact CG-CD1 3.9Å; L257-Y274 HydrophobicContact CG-CE1 4.49Å; L257-Y274 HydrophobicContact CG-CG 3.93Å; L257-T279 WeakPolarHBondContact O-CA 3.1Å; L257-V280 HydrophobicContact CB-CG2 4.07Å; L257-V280 HydrophobicContact CD2-CG2 4.19Å; L257-V280 HydrophobicContact CG-CG2 4.45Å; L257-V280 PolarHBondContact N-O 3.37Å; L257-V280 PolarHBondContact O-N 2.72Å; L257-P282 HydrophobicContact CB-CG 4.07Å; L257-P282 HydrophobicContact CD2-CG 4.48Å; L257-F297 HydrophobicContact CD2-CE2 4.23Å; L257-F297 HydrophobicContact CD2-CZ 4.23Å
258N98.6Very high98.5Very high59 Ų5952.9 Ų52.932%0.31629%0.289SS..  trans-97.3154.6-175.9-51.3-76000111.9G260 D261 Y274 T279N258-G260 PolarHBondContact O-N 2.9Å; N258-D261 WeakPolarHBondContact CA-OD2 3.45Å; N258-D261 VanDerWaalsContact CB-OD2 3.23Å; N258-D261 WeakPolarHBondContact CB-OD2 3.36Å; N258-D261 PolarHBondContact N-OD2 3.33Å; N258-D261 PolarHBondContact ND2-OD2 2.85Å; N258-D261 VanDerWaalsContact O-CB 3.26Å; N258-D261 WeakPolarHBondContact O-CB 3.24Å; N258-D261 PolarHBondContact O-N 2.85Å; N258-Y274 WeakPolarHBondContact O-CD1 3.39Å; N258-T279 VanDerWaalsContact OD1-CG2 3.27Å; N258-T279 WeakPolarHBondContact OD1-CG2 3.49Å; N258-T279 PolarHBondContact OD1-OG1 3.17Å
259P98.6Very high98.5Very high65 Ų6549.2 Ų49.242%0.42228%0.277SS..THydrogen-bonded Turntrans-53.1126.1171.7-25.835.8000111.2G276P259-G276 VanDerWaalsContact CB-O 3.3Å; P259-G276 WeakPolarHBondContact CB-O 3.49Å; P259-G276 WeakPolarHBondContact CG-O 3.08Å
260G98.4Very high98.5Very high42 Ų4255.9 Ų55.943%0.43331%0.306SS..THydrogen-bonded Turntrans92.1-9.4-175.400000115.3N258 H273 Y274N258-G260 PolarHBondContact O-N 2.9Å; G260-H273 PolarHBondContact O-CD2 2.93Å; G260-Y274 PolarHBondContact N-O 3.11Å
261D98.7Very high98.5Very high53 Ų5355.4 Ų55.428%0.28331%0.307SS..SBendtrans-70.2148.6175.1-73.3-16.1000111.3L257 N258 M263 H273 Y274L257-D261 HydrophobicContact CD1-CB 3.68Å; N258-D261 WeakPolarHBondContact CA-OD2 3.45Å; N258-D261 VanDerWaalsContact CB-OD2 3.23Å; N258-D261 WeakPolarHBondContact CB-OD2 3.36Å; N258-D261 PolarHBondContact N-OD2 3.33Å; N258-D261 PolarHBondContact ND2-OD2 2.85Å; N258-D261 VanDerWaalsContact O-CB 3.26Å; N258-D261 WeakPolarHBondContact O-CB 3.24Å; N258-D261 PolarHBondContact O-N 2.85Å; D261-M263 PolarHBondContact O-N 2.65Å; D261-H273 CarbonylContact O-C 3.49Å; D261-H273 VanDerWaalsContact O-CA 3.24Å; D261-H273 WeakPolarHBondContact O-CA 3.45Å; D261-Y274 PolarHBondContact O-N 2.85Å
262P98.6Very high98.5Very high28 Ų2854.1 Ų54.118%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-70.3125.7-179.131-37.2000111.4H246 N248 T271H246-P262 HydrophobicContact CB-CB 4.44Å; N248-P262 HydrophobicContact CB-CG 3.94Å; P262-T271 HydrophobicContact CB-CG2 3.55Å
263M98.1Very high98.5Very high13 Ų1356.8 Ų56.86%0.06431%0.309CS..EExtended strand (participates in β ladder)trans-114.7-47.7-170.6178.7177.360.900112.3M231 H246 L249 D261 I272 Y274 F297M231-M263 HydrophobicContact CE-CE 4.03Å; M231-M263 HydrophobicContact CE-SD 3.71Å; H246-M263 WeakPolarHBondContact CB-O 3.36Å; H246-M263 PolarHBondContact N-O 3.04Å; L249-M263 HydrophobicContact CD2-CB 4.49Å; L249-M263 HydrophobicContact CD2-CG 4.09Å; D261-M263 PolarHBondContact O-N 2.65Å; M263-I272 WeakPolarHBondContact CB-O 3.11Å; M263-I272 HydrophobicContact CE-CG2 4.33Å; M263-I272 PolarHBondContact N-O 3.18Å; M263-Y274 HydrophobicContact SD-CD2 3.77Å; M263-Y274 HydrophobicContact SD-CG 4.39Å; M263-F297 HydrophobicContact CG-CE1 3.82Å; M263-F297 HydrophobicContact CG-CZ 3.65Å; M263-F297 HydrophobicContact SD-CE1 4.24Å; M263-F297 HydrophobicContact SD-CZ 3.62Å
264F98.9Very high98.5Very high4 Ų456.8 Ų56.82%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-127.9158.1174.1-57.7-72.3000111.4D232 Y233 P234 A243 M244 V245 I272 A296 F297D232-F264 VanDerWaalsContact O-CZ 3.24Å; D232-F264 WeakPolarHBondContact O-CZ 3.39Å; Y233-F264 HydrophobicContact CD1-CE1 4.41Å; P234-F264 HydrophobicContact CG-CB 3.98Å; P234-F264 HydrophobicContact CG-CD1 4.46Å; P234-F264 HydrophobicContact CG-CD2 3.53Å; P234-F264 HydrophobicContact CG-CE2 4.1Å; P234-F264 HydrophobicContact CG-CG 3.75Å; A243-F264 HydrophobicContact CB-CB 3.99Å; M244-F264 CarbonylContact O-C 3.53Å; M244-F264 VanDerWaalsContact O-CA 3.24Å; M244-F264 WeakPolarHBondContact O-CA 3.4Å; M244-F264 WeakPolarHBondContact O-CB 3.41Å; V245-F264 HydrophobicContact CG2-CE1 4.34Å; F264-I272 HydrophobicContact CB-CB 4.14Å; F264-I272 HydrophobicContact CB-CD1 4.34Å; F264-I272 PolarHBondContact N-O 2.9Å; F264-I272 PolarHBondContact O-N 2.95Å; F264-A296 HydrophobicContact CE1-CB 3.57Å; F264-A296 HydrophobicContact CZ-CB 3.83Å; F264-F297 HydrophobicContact CE1-CD1 4.46Å; F264-F297 AromaticContact CE1-CE1 3.99Å; F264-F297 HydrophobicContact CE1-CE1 3.99Å; F264-F297 HydrophobicContact CE2-CE1 4.31Å; F264-F297 HydrophobicContact CZ-CD1 4.3Å; F264-F297 AromaticContact CZ-CE1 3.58Å; F264-F297 HydrophobicContact CZ-CE1 3.58Å; F264-F297 HydrophobicContact CZ-CZ 4.42Å
265Q98.8Very high98.4Very high45 Ų4563 Ų6321%0.2134%0.339CS..EExtended strand (participates in β ladder)trans-125.6119.5170-168.3177.2-1.400108.7A243 M244A243-Q265 CarbonylContact C-O 3.58Å; A243-Q265 VanDerWaalsContact CA-O 3.24Å; A243-Q265 WeakPolarHBondContact CA-O 3.48Å; A243-Q265 WeakPolarHBondContact CB-O 3.46Å; M244-Q265 PolarHBondContact N-O 2.87Å; M244-Q265 PolarHBondContact O-N 2.98Å
266T98.7Very high98.3Very high19 Ų1958.9 Ų58.912%0.11733%0.325CS..EExtended strand (participates in β ladder)trans-64.3157.7171.5540000110.9I242 A243 D268 G269 K270 I272I242-T266 WeakPolarHBondContact O-CA 3.4Å; A243-T266 HydrophobicContact CB-CG2 4Å; T266-D268 PolarHBondContact O-N 2.84Å; T266-D268 PolarHBondContact OG1-OD1 2.91Å; T266-G269 PolarHBondContact O-N 2.86Å; T266-K270 PolarHBondContact N-O 3.48Å; T266-K270 WeakPolarHBondContact OG1-CA 3.48Å; T266-K270 VanDerWaalsContact OG1-CB 3.25Å; T266-K270 WeakPolarHBondContact OG1-CB 3.4Å; T266-K270 PolarHBondContact OG1-N 3.46Å; T266-K270 PolarHBondContact OG1-O 2.74Å; T266-I272 HydrophobicContact CG2-CD1 3.79Å; T266-I272 HydrophobicContact CG2-CG1 4.33Å
267F98.2Very high98.2Very high141 Ų14161.3 Ų61.362%0.61834%0.344SS*.THydrogen-bonded Turntrans-65.7-19.9-175.7-54-40.6000114.3I241 I242 G269I241-F267 HydrophobicContact CG2-CZ 4.24Å; I241-F267 WeakPolarHBondContact O-CE2 3.21Å; I242-F267 PolarHBondContact O-N 2.87Å; F267-G269 VanDerWaalsContact C-N 3.29Å
268D97.4Very high98.1Very high139 Ų13964.1 Ų64.174%0.74336%0.364SS*.THydrogen-bonded Turntrans-86.10.7172.969.55.9000113.4T266 K270T266-D268 PolarHBondContact O-N 2.84Å; T266-D268 PolarHBondContact OG1-OD1 2.91Å; D268-K270 PolarHBondContact OD1-N 2.85Å
269G97.6Very high98.1Very high36 Ų3664 Ų6437%0.37137%0.366SS..SBendtrans97.7-0.7174.200000115.2T266 F267 T271T266-G269 PolarHBondContact O-N 2.86Å; F267-G269 VanDerWaalsContact C-N 3.29Å; G269-T271 PolarHBondContact O-N 2.88Å
270K98.4Very high98.1Very high146 Ų14661.1 Ų61.164%0.63535%0.347SS*.  trans-72.8128.4176.7176.4-174.5178.7-176.20111.9T266 D268T266-K270 PolarHBondContact N-O 3.48Å; T266-K270 WeakPolarHBondContact OG1-CA 3.48Å; T266-K270 VanDerWaalsContact OG1-CB 3.25Å; T266-K270 WeakPolarHBondContact OG1-CB 3.4Å; T266-K270 PolarHBondContact OG1-N 3.46Å; T266-K270 PolarHBondContact OG1-O 2.74Å; D268-K270 PolarHBondContact OD1-N 2.85Å
271T98.8Very high98.1Very high42 Ų4260.9 Ų60.926%0.25833%0.333SS..EExtended strand (participates in β ladder)trans-77.8135.3174.4-56.20000112.1P262 G269 H273P262-T271 HydrophobicContact CB-CG2 3.55Å; G269-T271 PolarHBondContact O-N 2.88Å; T271-H273 WeakPolarHBondContact CG2-NE2 3.27Å
272I98.6Very high98.1Very high50 Ų5058.4 Ų58.426%0.25632%0.32SS..EExtended strand (participates in β ladder)trans-109.8120.4169.2-60.1166.4000107P234 A243 M263 F264 T266P234-I272 HydrophobicContact CB-CD1 3.94Å; P234-I272 HydrophobicContact CG-CD1 3.64Å; A243-I272 HydrophobicContact CB-CD1 4.2Å; M263-I272 WeakPolarHBondContact CB-O 3.11Å; M263-I272 HydrophobicContact CE-CG2 4.33Å; M263-I272 PolarHBondContact N-O 3.18Å; F264-I272 HydrophobicContact CB-CB 4.14Å; F264-I272 HydrophobicContact CB-CD1 4.34Å; F264-I272 PolarHBondContact N-O 2.9Å; F264-I272 PolarHBondContact O-N 2.95Å; T266-I272 HydrophobicContact CG2-CD1 3.79Å; T266-I272 HydrophobicContact CG2-CG1 4.33Å
273H98.7Very high98.1Very high82 Ų8257 Ų5738%0.3831%0.311SS..EExtended strand (participates in β ladder)trans-93.6150.3-175.8-56.886.6000111G260 D261 T271 Q275G260-H273 PolarHBondContact O-CD2 2.93Å; D261-H273 CarbonylContact O-C 3.49Å; D261-H273 VanDerWaalsContact O-CA 3.24Å; D261-H273 WeakPolarHBondContact O-CA 3.45Å; T271-H273 WeakPolarHBondContact CG2-NE2 3.27Å; H273-Q275 PolarHBondContact O-N 3.42Å; H273-Q275 PolarHBondContact O-NE2 2.71Å; H273-Q275 VanDerWaalsContact O-NE2 3.12Å
274Y98.5Very high98.2Very high10 Ų1057 Ų574%0.03931%0.31CS..  trans-63.1126.9174.5178.8-122.1000110.9L257 N258 G260 D261 M263 S278 V280L257-Y274 HydrophobicContact CD2-CD1 4.16Å; L257-Y274 HydrophobicContact CD2-CD2 3.98Å; L257-Y274 HydrophobicContact CD2-CE2 4.46Å; L257-Y274 HydrophobicContact CD2-CG 3.81Å; L257-Y274 HydrophobicContact CG-CD1 3.9Å; L257-Y274 HydrophobicContact CG-CE1 4.49Å; L257-Y274 HydrophobicContact CG-CG 3.93Å; N258-Y274 WeakPolarHBondContact O-CD1 3.39Å; G260-Y274 PolarHBondContact N-O 3.11Å; D261-Y274 PolarHBondContact O-N 2.85Å; M263-Y274 HydrophobicContact SD-CD2 3.77Å; M263-Y274 HydrophobicContact SD-CG 4.39Å; Y274-S278 WeakPolarHBondContact CE1-O 3.23Å; Y274-V280 HydrophobicContact CE1-CG2 3.89Å; Y274-V280 HydrophobicContact CE2-CG2 4.3Å; Y274-V280 VanDerWaalsContact OH-CG1 3.23Å; Y274-V280 WeakPolarHBondContact OH-CG1 3.32Å; Y274-V280 WeakPolarHBondContact OH-CG2 3.37Å
275Q97.5Very high98.2Very high161 Ų16156.8 Ų56.875%0.75231%0.31SS*.  trans-107.212.7-176.2-60-58-57.200113.1H273H273-Q275 PolarHBondContact O-N 3.42Å; H273-Q275 PolarHBondContact O-NE2 2.71Å; H273-Q275 VanDerWaalsContact O-NE2 3.12Å
276G95.9Very high98.2Very high21 Ų2156.4 Ų56.422%0.21631%0.309CS..  trans-64.8164.6177.500000112.6P259P259-G276 VanDerWaalsContact CB-O 3.3Å; P259-G276 WeakPolarHBondContact CB-O 3.49Å; P259-G276 WeakPolarHBondContact CG-O 3.08Å
277S96.3Very high98.2Very high125 Ų12555.7 Ų55.787%0.87430%0.304SS*.SBendtrans-85.9-11.8-177.356.50000114.3
278S97.3Very high98.2Very high66 Ų6651 Ų5146%0.46229%0.292SS..SBendtrans-152.1165.2-17861.40000111.8Y274 V280Y274-S278 WeakPolarHBondContact CE1-O 3.23Å; S278-V280 PolarHBondContact O-N 3.24Å
279T98.4Very high98.2Very high56 Ų5644.8 Ų44.834%0.34426%0.26SS..  trans-60.7133.2172.6-51.30000111P256 L257 N258P256-T279 HydrophobicContact CB-CG2 3.59Å; L257-T279 WeakPolarHBondContact O-CA 3.1Å; N258-T279 VanDerWaalsContact OD1-CG2 3.27Å; N258-T279 WeakPolarHBondContact OD1-CG2 3.49Å; N258-T279 PolarHBondContact OD1-OG1 3.17Å
280V98.7Very high98.3Very high4 Ų444.3 Ų44.32%0.02425%0.247CC..BIsolated β-bridgetrans-124.3170.4172.8-64.90000110.3L228 L257 Y274 S278 T299L228-V280 HydrophobicContact CD1-CG1 4.09Å; L257-V280 HydrophobicContact CB-CG2 4.07Å; L257-V280 HydrophobicContact CD2-CG2 4.19Å; L257-V280 HydrophobicContact CG-CG2 4.45Å; L257-V280 PolarHBondContact N-O 3.37Å; L257-V280 PolarHBondContact O-N 2.72Å; Y274-V280 HydrophobicContact CE1-CG2 3.89Å; Y274-V280 HydrophobicContact CE2-CG2 4.3Å; Y274-V280 VanDerWaalsContact OH-CG1 3.23Å; Y274-V280 WeakPolarHBondContact OH-CG1 3.32Å; Y274-V280 WeakPolarHBondContact OH-CG2 3.37Å; S278-V280 PolarHBondContact O-N 3.24Å; V280-T299 HydrophobicContact CB-CG2 4.32Å; V280-T299 HydrophobicContact CG2-CG2 3.75Å
281Y98.8Very high98.3Very high37 Ų3741.9 Ų41.915%0.14523%0.234CC..  trans-122.797178.2-55.6-94.7000108.3F225 W254 P256 T300 R302F225-Y281 HydrophobicContact CD1-CD2 4.45Å; F225-Y281 HydrophobicContact CD1-CG 4.05Å; F225-Y281 AromaticContact CE1-CD1 3.91Å; F225-Y281 HydrophobicContact CE1-CD1 3.91Å; F225-Y281 HydrophobicContact CE1-CD2 4.31Å; F225-Y281 AromaticContact CE1-CG 3.71Å; F225-Y281 HydrophobicContact CE1-CG 3.71Å; W254-Y281 VanDerWaalsContact O-CD1 3.31Å; W254-Y281 WeakPolarHBondContact O-CD1 3.39Å; P256-Y281 HydrophobicContact CB-CD1 4.48Å; P256-Y281 HydrophobicContact CB-CE1 4.14Å; Y281-T300 WeakPolarHBondContact CB-OG1 3.24Å; Y281-T300 PolarHBondContact N-O 3.13Å; Y281-T300 WeakPolarHBondContact O-CB 3.24Å; Y281-T300 PolarHBondContact O-N 3.1Å; Y281-T300 VanDerWaalsContact O-N 3.07Å; Y281-T300 PolarHBondContact O-OG1 3.12Å; Y281-R302 HydrophobicContact CD2-CB 3.9Å; Y281-R302 HydrophobicContact CE2-CB 3.6Å; Y281-R302 PolarHBondContact OH-NH2 3.49Å
282P98.7Very high98.1Very high1 Ų144.7 Ų44.71%0.00625%0.245CC..  trans-64.4148-17924.5-33.7000112.3L249 D253 W254 E255 L257 I285 F297 V298L249-P282 HydrophobicContact CD1-CB 4.38Å; L249-P282 HydrophobicContact CD1-CG 3.66Å; D253-P282 WeakPolarHBondContact CA-O 3.32Å; W254-P282 PolarHBondContact N-O 3.42Å; E255-P282 VanDerWaalsContact O-CD 3.29Å; E255-P282 WeakPolarHBondContact O-CD 3.41Å; L257-P282 HydrophobicContact CB-CG 4.07Å; L257-P282 HydrophobicContact CD2-CG 4.48Å; P282-I285 HydrophobicContact CB-CD1 3.84Å; P282-I285 HydrophobicContact CB-CG1 3.99Å; P282-I285 HydrophobicContact CG-CD1 3.9Å; P282-F297 HydrophobicContact CB-CD2 3.64Å; P282-F297 HydrophobicContact CB-CE2 4.08Å; P282-F297 HydrophobicContact CB-CG 4.24Å; P282-V298 CarbonylContact C-O 3.55Å; P282-V298 WeakPolarHBondContact CA-O 3.46Å
283T98.7Very high98Very high0 Ų044.4 Ų44.40%024%0.241CC..BIsolated β-bridgetrans-144.1159.2179.959.10000109.8L157 D253 W254 I285 F297 V298 T300L157-T283 HydrophobicContact CD1-CG2 4.14Å; D253-T283 VanDerWaalsContact OD1-C 3.3Å; D253-T283 VanDerWaalsContact OD1-CA 3.32Å; D253-T283 WeakPolarHBondContact OD1-CA 3.48Å; W254-T283 HydrophobicContact CD2-CG2 4.02Å; W254-T283 HydrophobicContact CE3-CG2 3.46Å; W254-T283 VanDerWaalsContact CE3-CG2 3.46Å; W254-T283 HydrophobicContact CH2-CG2 3.67Å; W254-T283 HydrophobicContact CZ2-CG2 4.2Å; W254-T283 HydrophobicContact CZ3-CG2 3.26Å; T283-I285 PolarHBondContact O-N 2.87Å; T283-F297 WeakPolarHBondContact O-CB 3.25Å; T283-V298 PolarHBondContact N-O 2.78Å; T283-V298 PolarHBondContact O-N 2.81Å; T283-V298 PolarHBondContact OG1-O 3.01Å; T283-T300 HydrophobicContact CG2-CG2 3.79Å
284F98.7Very high97.9Very high11 Ų1146.3 Ų46.35%0.04825%0.25CS..SBendtrans54.140.4-172.5-70.3-81.2000111.6S122 M124 I129 L157 E180 D253 N286 E287 Y290S122-F284 VanDerWaalsContact OG-CA 3.23Å; S122-F284 WeakPolarHBondContact OG-CA 3.24Å; M124-F284 HydrophobicContact CE-CD2 3.89Å; M124-F284 HydrophobicContact CE-CE1 4.23Å; M124-F284 HydrophobicContact CE-CE2 3.6Å; M124-F284 HydrophobicContact CE-CG 4.33Å; M124-F284 HydrophobicContact CE-CZ 3.77Å; M124-F284 HydrophobicContact SD-CB 4.24Å; M124-F284 HydrophobicContact SD-CD1 3.36Å; M124-F284 WeakPolarHBondContact SD-CD1 3.42Å; M124-F284 HydrophobicContact SD-CD2 3.62Å; M124-F284 HydrophobicContact SD-CE1 3.44Å; M124-F284 WeakPolarHBondContact SD-CE1 3.42Å; M124-F284 HydrophobicContact SD-CE2 3.71Å; M124-F284 HydrophobicContact SD-CG 3.44Å; M124-F284 WeakPolarHBondContact SD-CG 3.18Å; M124-F284 HydrophobicContact SD-CZ 3.61Å; I129-F284 HydrophobicContact CD1-CZ 4.17Å; L157-F284 HydrophobicContact CD2-CD2 4.32Å; L157-F284 HydrophobicContact CD2-CE2 3.6Å; E180-F284 HydrophobicContact CG-CE1 4.13Å; E180-F284 HydrophobicContact CG-CZ 4.09Å; E180-F284 WeakPolarHBondContact OE2-CE1 3.33Å; D253-F284 PolarHBondContact OD1-N 3.31Å; F284-N286 PolarHBondContact O-N 3.33Å; F284-N286 VanDerWaalsContact O-N 3.17Å; F284-E287 HydrophobicContact CB-CB 4.42Å; F284-E287 HydrophobicContact CD1-CB 4.43Å; F284-Y290 HydrophobicContact CB-CD2 4.1Å; F284-Y290 HydrophobicContact CB-CE2 3.82Å; F284-Y290 HydrophobicContact CD1-CD2 4.47Å; F284-Y290 AromaticContact CD1-CE2 3.61Å; F284-Y290 HydrophobicContact CD1-CE2 3.61Å; F284-Y290 HydrophobicContact CD2-CE2 4.36Å; F284-Y290 HydrophobicContact CE1-CE2 4.23Å; F284-Y290 HydrophobicContact CG-CD2 4.46Å; F284-Y290 AromaticContact CG-CE2 3.69Å; F284-Y290 HydrophobicContact CG-CE2 3.69Å
285I98.9Very high97.9Very high0 Ų046 Ų460%025%0.25CC..THydrogen-bonded Turntrans-66.1116.2179.3-58.5176.5000109.2S122 V245 L249 D253 P282 T283 F297S122-I285 WeakPolarHBondContact CB-O 3.4Å; S122-I285 PolarHBondContact OG-N 3.18Å; S122-I285 PolarHBondContact OG-O 3.27Å; S122-I285 VanDerWaalsContact OG-O 3.08Å; V245-I285 HydrophobicContact CG1-CG2 3.68Å; V245-I285 HydrophobicContact CG2-CG2 4.3Å; L249-I285 HydrophobicContact CD1-CD1 3.77Å; L249-I285 HydrophobicContact CG-CD1 4.19Å; L249-I285 WeakPolarHBondContact O-CD1 3.41Å; D253-I285 HydrophobicContact CB-CD1 4.46Å; D253-I285 PolarHBondContact OD1-N 3.31Å; P282-I285 HydrophobicContact CB-CD1 3.84Å; P282-I285 HydrophobicContact CB-CG1 3.99Å; P282-I285 HydrophobicContact CG-CD1 3.9Å; T283-I285 PolarHBondContact O-N 2.87Å; I285-F297 HydrophobicContact CB-CB 4.47Å; I285-F297 HydrophobicContact CG1-CB 3.96Å
286N98.8Very high97.9Very high38 Ų3838.4 Ų38.420%0.20321%0.214CC..THydrogen-bonded Turntrans6539175.4-150.123000113.8T121 Y233 V245 Q250 F284 A288 Y291 A296T121-N286 PolarHBondContact OG1-O 2.96Å; T121-N286 VanDerWaalsContact OG1-O 3.14Å; Y233-N286 PolarHBondContact OH-OD1 3.17Å; V245-N286 HydrophobicContact CG2-CB 4.08Å; Q250-N286 PolarHBondContact OE1-ND2 2.85Å; F284-N286 PolarHBondContact O-N 3.33Å; F284-N286 VanDerWaalsContact O-N 3.17Å; N286-A288 PolarHBondContact O-N 3.33Å; N286-Y291 PolarHBondContact OD1-OH 2.93Å; N286-A296 PolarHBondContact N-O 3.4Å
287E98.8Very high98.1Very high3 Ų337.4 Ų37.41%0.01420%0.204CC..  trans-66.3121.5172.4170.448-136.300111.4T120 T121 S122 Q186 F284 A289 Y290T120-E287 WeakPolarHBondContact CA-OE2 3.32Å; T120-E287 PolarHBondContact OG1-OE2 3.13Å; T121-E287 PolarHBondContact N-OE2 3.4Å; T121-E287 WeakPolarHBondContact OG1-CA 3.24Å; T121-E287 PolarHBondContact OG1-OE2 3.42Å; S122-E287 PolarHBondContact OG-N 3.44Å; Q186-E287 PolarHBondContact NE2-OE1 3.3Å; F284-E287 HydrophobicContact CB-CB 4.42Å; F284-E287 HydrophobicContact CD1-CB 4.43Å; E287-A289 VanDerWaalsContact C-N 3.29Å; E287-A289 HydrophobicContact CG-CB 4.2Å; E287-A289 PolarHBondContact O-N 2.86Å; E287-A289 VanDerWaalsContact OE1-CB 3.25Å; E287-A289 WeakPolarHBondContact OE1-CB 3.4Å; E287-A289 PolarHBondContact OE1-N 2.88Å; E287-Y290 HydrophobicContact CB-CD2 3.46Å; E287-Y290 VanDerWaalsContact CB-CD2 3.46Å; E287-Y290 HydrophobicContact CB-CE2 4.04Å; E287-Y290 HydrophobicContact CB-CG 3.85Å; E287-Y290 HydrophobicContact CG-CD1 3.94Å; E287-Y290 HydrophobicContact CG-CD2 3.47Å; E287-Y290 VanDerWaalsContact CG-CD2 3.47Å; E287-Y290 HydrophobicContact CG-CE1 4.23Å; E287-Y290 HydrophobicContact CG-CE2 3.8Å; E287-Y290 HydrophobicContact CG-CG 3.56Å; E287-Y290 PolarHBondContact O-N 3.07Å
288A98.6Very high98.2Very high44 Ų4431.9 Ų31.936%0.36417%0.165SC..G310 helixtrans-55.3-41.7-177.400000112.9T121 N286 Y290T121-A288 HydrophobicContact CG2-CB 3.84Å; T121-A288 PolarHBondContact OG1-N 2.55Å; N286-A288 PolarHBondContact O-N 3.33Å; A288-Y290 PolarHBondContact O-N 2.93Å
289A98Very high98.2Very high7 Ų728.8 Ų28.86%0.05814%0.143CC..G310 helixtrans-69.5-9.8179.100000114.6E287 E292 K293E287-A289 VanDerWaalsContact C-N 3.29Å; E287-A289 HydrophobicContact CG-CB 4.2Å; E287-A289 PolarHBondContact O-N 2.86Å; E287-A289 VanDerWaalsContact OE1-CB 3.25Å; E287-A289 WeakPolarHBondContact OE1-CB 3.4Å; E287-A289 PolarHBondContact OE1-N 2.88Å; A289-E292 WeakPolarHBondContact O-CG 3.29Å; A289-K293 WeakPolarHBondContact O-CE 3.31Å
290Y98.4Very high98.2Very high27 Ų2726.1 Ų26.111%0.10613%0.126CC..G310 helixtrans-102.4-5.8-172.2-68-9.9000114F284 E287 A288 E292 K293 Q294 Q295F284-Y290 HydrophobicContact CB-CD2 4.1Å; F284-Y290 HydrophobicContact CB-CE2 3.82Å; F284-Y290 HydrophobicContact CD1-CD2 4.47Å; F284-Y290 AromaticContact CD1-CE2 3.61Å; F284-Y290 HydrophobicContact CD1-CE2 3.61Å; F284-Y290 HydrophobicContact CD2-CE2 4.36Å; F284-Y290 HydrophobicContact CE1-CE2 4.23Å; F284-Y290 HydrophobicContact CG-CD2 4.46Å; F284-Y290 AromaticContact CG-CE2 3.69Å; F284-Y290 HydrophobicContact CG-CE2 3.69Å; E287-Y290 HydrophobicContact CB-CD2 3.46Å; E287-Y290 VanDerWaalsContact CB-CD2 3.46Å; E287-Y290 HydrophobicContact CB-CE2 4.04Å; E287-Y290 HydrophobicContact CB-CG 3.85Å; E287-Y290 HydrophobicContact CG-CD1 3.94Å; E287-Y290 HydrophobicContact CG-CD2 3.47Å; E287-Y290 VanDerWaalsContact CG-CD2 3.47Å; E287-Y290 HydrophobicContact CG-CE1 4.23Å; E287-Y290 HydrophobicContact CG-CE2 3.8Å; E287-Y290 HydrophobicContact CG-CG 3.56Å; E287-Y290 PolarHBondContact O-N 3.07Å; A288-Y290 PolarHBondContact O-N 2.93Å; Y290-E292 VanDerWaalsContact C-N 3.34Å; Y290-E292 PolarHBondContact O-N 3.19Å; Y290-K293 HydrophobicContact CD1-CD 3.72Å; Y290-K293 HydrophobicContact CD1-CG 4.37Å; Y290-K293 HydrophobicContact CE1-CD 4.1Å; Y290-K293 CarbonylContact O-C 3.58Å; Y290-K293 WeakPolarHBondContact O-CA 3.4Å; Y290-K293 PolarHBondContact O-N 3.19Å; Y290-Q294 PolarHBondContact O-N 2.88Å; Y290-Q295 CarbonylContact C-O 3.58Å; Y290-Q295 WeakPolarHBondContact CB-O 3.48Å; Y290-Q295 HydrophobicContact CD2-CG 4.41Å; Y290-Q295 PolarHBondContact O-N 2.99Å; Y290-Q295 VanDerWaalsContact O-N 3.12Å
291Y98.3Very high98.2Very high94 Ų9432.3 Ų32.337%0.36915%0.149SC..THydrogen-bonded Turntrans-55.1-46.6169.1-83.4-102.4000112.6Y233 R235 I241 N286 K293 Q294Y233-Y291 HydrophobicContact CE1-CE1 4.15Å; Y233-Y291 HydrophobicContact CE2-CD1 4.04Å; Y233-Y291 HydrophobicContact CE2-CD2 4.3Å; Y233-Y291 HydrophobicContact CE2-CE1 4.09Å; Y233-Y291 HydrophobicContact CE2-CE2 4.36Å; Y233-Y291 HydrophobicContact CE2-CG 4.16Å; Y233-Y291 AromaticContact CZ-CE1 3.77Å; Y233-Y291 AromaticContact CZ-CE2 3.89Å; Y233-Y291 AromaticContact CZ-CZ 3.62Å; Y233-Y291 WeakPolarHBondContact OH-CE2 3.27Å; R235-Y291 PolarHBondContact NH2-O 3.45Å; I241-Y291 HydrophobicContact CD1-CD1 3.5Å; I241-Y291 VanDerWaalsContact CD1-CD1 3.5Å; I241-Y291 HydrophobicContact CD1-CE1 3.85Å; N286-Y291 PolarHBondContact OD1-OH 2.93Å; Y291-K293 PolarHBondContact O-N 2.76Å; Y291-Q294 PolarHBondContact O-N 3.45Å
292E96.4Very high98.2Very high102 Ų10236.3 Ų36.348%0.47716%0.164SC..THydrogen-bonded Turntrans-68.3-22.4175.867.7172.7-161.800112.6Y66 A289 Y290 Q294Y66-E292 PolarHBondContact OH-OE1 3.41Å; Y66-E292 PolarHBondContact OH-OE2 3.13Å; A289-E292 WeakPolarHBondContact O-CG 3.29Å; Y290-E292 VanDerWaalsContact C-N 3.34Å; Y290-E292 PolarHBondContact O-N 3.19Å; E292-Q294 VanDerWaalsContact C-N 3.32Å
293K95.5Very high98.1Very high43 Ų4338 Ų3819%0.18717%0.172CC..THydrogen-bonded Turntrans-94.28-175.7-51.4-167.2-164.8-61.40112.4D70 A289 Y290 Y291 Q295D70-K293 WeakPolarHBondContact OD2-CE 3.35Å; D70-K293 IonicContact OD2-NZ 3.52Å; D70-K293 PolarHBondContact OD2-NZ 2.82Å; A289-K293 WeakPolarHBondContact O-CE 3.31Å; Y290-K293 HydrophobicContact CD1-CD 3.72Å; Y290-K293 HydrophobicContact CD1-CG 4.37Å; Y290-K293 HydrophobicContact CE1-CD 4.1Å; Y290-K293 CarbonylContact O-C 3.58Å; Y290-K293 WeakPolarHBondContact O-CA 3.4Å; Y290-K293 PolarHBondContact O-N 3.19Å; Y291-K293 PolarHBondContact O-N 2.76Å; K293-Q295 VanDerWaalsContact C-N 3.3Å; K293-Q295 PolarHBondContact O-N 2.81Å
294Q97.1Very high98.1Very high122 Ų12242.3 Ų42.357%0.5720%0.198SC*.THydrogen-bonded Turntrans54.747.3-178.9-66.7174.536.400111.7D232 Y290 Y291 E292D232-Q294 WeakPolarHBondContact CA-O 2.9Å; D232-Q294 HydrophobicContact CB-CB 4.27Å; D232-Q294 WeakPolarHBondContact CB-O 3.42Å; D232-Q294 VanDerWaalsContact CG-C 3.49Å; D232-Q294 VanDerWaalsContact CG-CB 3.47Å; D232-Q294 WeakPolarHBondContact OD1-CA 3.37Å; D232-Q294 WeakPolarHBondContact OD2-CB 3.47Å; Y290-Q294 PolarHBondContact O-N 2.88Å; Y291-Q294 PolarHBondContact O-N 3.45Å; E292-Q294 VanDerWaalsContact C-N 3.32Å
295Q97.8Very high98.1Very high5 Ų542.9 Ų42.92%0.02320%0.202CC..  trans-141.5104.7-176.8-179.8-170.5-55.600109.7R230 M231 Y290 K293 V298R230-Q295 HydrophobicContact CB-CG 4.16Å; R230-Q295 HydrophobicContact CG-CG 4.12Å; M231-Q295 CarbonylContact O-C 3.52Å; M231-Q295 WeakPolarHBondContact O-CA 3.23Å; Y290-Q295 CarbonylContact C-O 3.58Å; Y290-Q295 WeakPolarHBondContact CB-O 3.48Å; Y290-Q295 HydrophobicContact CD2-CG 4.41Å; Y290-Q295 PolarHBondContact O-N 2.99Å; Y290-Q295 VanDerWaalsContact O-N 3.12Å; K293-Q295 VanDerWaalsContact C-N 3.3Å; K293-Q295 PolarHBondContact O-N 2.81Å; Q295-V298 VanDerWaalsContact CD-CG2 3.47Å; Q295-V298 HydrophobicContact CG-CG2 4.13Å; Q295-V298 VanDerWaalsContact NE2-CG2 3.27Å
296A98.7Very high98Very high0 Ų047 Ų470%024%0.236CC..SBendtrans-75.3-37.6169.700000112.3M231 Y233 V245 F264 N286M231-A296 WeakPolarHBondContact O-CB 3.49Å; M231-A296 PolarHBondContact O-N 2.99Å; Y233-A296 HydrophobicContact CD1-CB 3.86Å; Y233-A296 HydrophobicContact CD2-CB 3.71Å; Y233-A296 HydrophobicContact CE1-CB 3.75Å; Y233-A296 HydrophobicContact CE2-CB 3.58Å; Y233-A296 HydrophobicContact CG-CB 3.83Å; V245-A296 HydrophobicContact CG2-CB 4.43Å; F264-A296 HydrophobicContact CE1-CB 3.57Å; F264-A296 HydrophobicContact CZ-CB 3.83Å; N286-A296 PolarHBondContact N-O 3.4Å
297F98.7Very high97.8Very high0 Ų045.4 Ų45.40%023%0.228CC..EExtended strand (participates in β ladder)trans-162.6172.1173.157.6-90.1000110.4M231 L249 L257 M263 F264 P282 T283 I285 T299M231-F297 HydrophobicContact CB-CD1 4.21Å; M231-F297 HydrophobicContact CB-CD2 3.97Å; M231-F297 HydrophobicContact CB-CE1 3.91Å; M231-F297 HydrophobicContact CB-CE2 3.67Å; M231-F297 HydrophobicContact CB-CG 4.24Å; M231-F297 HydrophobicContact CB-CZ 3.62Å; M231-F297 HydrophobicContact CG-CD2 3.99Å; M231-F297 HydrophobicContact CG-CE1 4.46Å; M231-F297 HydrophobicContact CG-CE2 3.41Å; M231-F297 VanDerWaalsContact CG-CE2 3.41Å; M231-F297 HydrophobicContact CG-CZ 3.68Å; M231-F297 PolarHBondContact N-O 2.9Å; M231-F297 PolarHBondContact O-N 3.34Å; L249-F297 HydrophobicContact CD2-CD1 4.28Å; L249-F297 HydrophobicContact CD2-CE1 3.8Å; L249-F297 HydrophobicContact CD2-CZ 4.12Å; L257-F297 HydrophobicContact CD2-CE2 4.23Å; L257-F297 HydrophobicContact CD2-CZ 4.23Å; M263-F297 HydrophobicContact CG-CE1 3.82Å; M263-F297 HydrophobicContact CG-CZ 3.65Å; M263-F297 HydrophobicContact SD-CE1 4.24Å; M263-F297 HydrophobicContact SD-CZ 3.62Å; F264-F297 HydrophobicContact CE1-CD1 4.46Å; F264-F297 AromaticContact CE1-CE1 3.99Å; F264-F297 HydrophobicContact CE1-CE1 3.99Å; F264-F297 HydrophobicContact CE2-CE1 4.31Å; F264-F297 HydrophobicContact CZ-CD1 4.3Å; F264-F297 AromaticContact CZ-CE1 3.58Å; F264-F297 HydrophobicContact CZ-CE1 3.58Å; F264-F297 HydrophobicContact CZ-CZ 4.42Å; P282-F297 HydrophobicContact CB-CD2 3.64Å; P282-F297 HydrophobicContact CB-CE2 4.08Å; P282-F297 HydrophobicContact CB-CG 4.24Å; T283-F297 WeakPolarHBondContact O-CB 3.25Å; I285-F297 HydrophobicContact CB-CB 4.47Å; I285-F297 HydrophobicContact CG1-CB 3.96Å; F297-T299 HydrophobicContact CD2-CG2 4.15Å; F297-T299 HydrophobicContact CE2-CG2 3.71Å
298V98.1Very high97.6Very high10 Ų1048.3 Ų48.36%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-114.8128.1172.8169.30000108.6V227 E229 R230 P282 T283 Q295 T300V227-V298 HydrophobicContact CB-CG1 4.18Å; V227-V298 HydrophobicContact CG1-CG1 3.63Å; V227-V298 HydrophobicContact CG2-CG1 3.9Å; E229-V298 WeakPolarHBondContact O-CA 3.34Å; R230-V298 HydrophobicContact CG-CG2 4.03Å; P282-V298 CarbonylContact C-O 3.55Å; P282-V298 WeakPolarHBondContact CA-O 3.46Å; T283-V298 PolarHBondContact N-O 2.78Å; T283-V298 PolarHBondContact O-N 2.81Å; T283-V298 PolarHBondContact OG1-O 3.01Å; Q295-V298 VanDerWaalsContact CD-CG2 3.47Å; Q295-V298 HydrophobicContact CG-CG2 4.13Å; Q295-V298 VanDerWaalsContact NE2-CG2 3.27Å; V298-T300 HydrophobicContact CG1-CG2 4.34Å
299T98.4Very high97.6Very high0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-81.3146.9171.869.60000110L228 E229 M231 V280 F297L228-T299 PolarHBondContact N-O 3.27Å; E229-T299 HydrophobicContact CG-CG2 4.17Å; E229-T299 WeakPolarHBondContact CG-OG1 3.38Å; E229-T299 PolarHBondContact O-N 2.81Å; E229-T299 PolarHBondContact OE1-OG1 3.41Å; M231-T299 HydrophobicContact CG-CG2 3.79Å; V280-T299 HydrophobicContact CB-CG2 4.32Å; V280-T299 HydrophobicContact CG2-CG2 3.75Å; F297-T299 HydrophobicContact CD2-CG2 4.15Å; F297-T299 HydrophobicContact CE2-CG2 3.71Å
300T98.7Very high97.6Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-134.2160.2178.475.90000111.5L157 F225 R226 Y281 T283 V298L157-T300 HydrophobicContact CD1-CG2 3.79Å; F225-T300 HydrophobicContact CB-CG2 4.35Å; F225-T300 WeakPolarHBondContact CD1-OG1 3.45Å; R226-T300 CarbonylContact O-C 3.59Å; R226-T300 WeakPolarHBondContact O-CA 3.27Å; R226-T300 VanDerWaalsContact O-CB 3.27Å; R226-T300 WeakPolarHBondContact O-CB 3.44Å; Y281-T300 WeakPolarHBondContact CB-OG1 3.24Å; Y281-T300 PolarHBondContact N-O 3.13Å; Y281-T300 WeakPolarHBondContact O-CB 3.24Å; Y281-T300 PolarHBondContact O-N 3.1Å; Y281-T300 VanDerWaalsContact O-N 3.07Å; Y281-T300 PolarHBondContact O-OG1 3.12Å; T283-T300 HydrophobicContact CG2-CG2 3.79Å; V298-T300 HydrophobicContact CG1-CG2 4.34Å
301R98.1Very high97.5Very high134 Ų13448.8 Ų48.851%0.50624%0.242SC..EExtended strand (participates in β ladder)trans-107.9129.1165.5-174.9177.372.8-169.32.9109.7R226 L228 E303R226-R301 PolarHBondContact N-O 3.39Å; R226-R301 PolarHBondContact O-N 3.36Å; L228-R301 HydrophobicContact CD1-CB 4.08Å; L228-R301 HydrophobicContact CD2-CB 4.18Å; L228-R301 HydrophobicContact CG-CB 4.3Å; R301-E303 IonicContact CZ-OE2 3.51Å; R301-E303 IonicContact NE-OE2 3.42Å; R301-E303 PolarHBondContact NE-OE2 2.93Å; R301-E303 IonicContact NH2-OE2 2.74Å; R301-E303 PolarHBondContact NH2-OE2 2.89Å
302R98.3Very high97.4Very high122 Ų12248 Ų4846%0.4624%0.241SC..EExtended strand (participates in β ladder)trans-72.3128.7169-171.8172.464.5179.8-4.1110.7E223 V224 F225 Y281E223-R302 HydrophobicContact CG-CG 3.99Å; E223-R302 WeakPolarHBondContact OE2-CD 3.23Å; V224-R302 WeakPolarHBondContact O-CA 3.21Å; F225-R302 HydrophobicContact CD1-CB 4.16Å; F225-R302 HydrophobicContact CE1-CB 3.95Å; F225-R302 HydrophobicContact CE1-CG 4.12Å; F225-R302 HydrophobicContact CZ-CB 4.5Å; F225-R302 HydrophobicContact CZ-CG 4.16Å; Y281-R302 HydrophobicContact CD2-CB 3.9Å; Y281-R302 HydrophobicContact CE2-CB 3.6Å; Y281-R302 PolarHBondContact OH-NH2 3.49Å
303E97.6Very high97.2Very high35 Ų3547.5 Ų47.516%0.16425%0.253CS..EExtended strand (participates in β ladder)trans-150.3163.717665.7-177.8-153.800111.9E223 V224 R226 R301E223-E303 WeakPolarHBondContact CA-O 3.48Å; V224-E303 HydrophobicContact CG2-CG 3.64Å; V224-E303 PolarHBondContact N-O 3.49Å; V224-E303 PolarHBondContact O-N 2.96Å; R226-E303 IonicContact CZ-OE1 3.7Å; R226-E303 IonicContact NE-OE1 2.71Å; R226-E303 PolarHBondContact NE-OE1 3.04Å; R226-E303 IonicContact NE-OE2 3.58Å; R226-E303 IonicContact NH2-OE1 2.93Å; R226-E303 PolarHBondContact NH2-OE1 2.99Å; R301-E303 IonicContact CZ-OE2 3.51Å; R301-E303 IonicContact NE-OE2 3.42Å; R301-E303 PolarHBondContact NE-OE2 2.93Å; R301-E303 IonicContact NH2-OE2 2.74Å; R301-E303 PolarHBondContact NH2-OE2 2.89Å
304T98.2Very high97.2Very high91 Ų9147.7 Ų47.756%0.55826%0.257SS*.EExtended strand (participates in β ladder)trans-110.1119.6178.1-58.60000109.7T221T221-T304 HydrophobicContact CG2-CG2 3.97Å
305L97.8Very high97.2Very high23 Ų2343.8 Ų43.812%0.1224%0.24CC..EExtended strand (participates in β ladder)trans-91.8141.9173.4-60.5-176.7000110.6L139 L158 T221 V222 V224L139-L305 HydrophobicContact CD2-CB 4.42Å; L139-L305 HydrophobicContact CD2-CD1 3.9Å; L158-L305 HydrophobicContact CD2-CD1 4.08Å; T221-L305 CarbonylContact C-O 3.59Å; T221-L305 VanDerWaalsContact CA-O 3.23Å; T221-L305 WeakPolarHBondContact CA-O 3.42Å; V222-L305 PolarHBondContact N-O 2.72Å; V222-L305 PolarHBondContact O-N 3.21Å; V224-L305 HydrophobicContact CG1-CD1 3.96Å; V224-L305 HydrophobicContact CG1-CG 4.25Å; V224-L305 HydrophobicContact CG2-CD1 3.89Å; V224-L305 HydrophobicContact CG2-CG 3.8Å
306A96.7Very high97.2Very high86 Ų8645.9 Ų45.971%0.71125%0.252SS*.EExtended strand (participates in β ladder)trans-89.7129.5167.800000109.5
307A95.8Very high97.1Very high5 Ų548.6 Ų48.64%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-105.8128.517200000109.5L139 Q140 P219 C220L139-A307 HydrophobicContact CB-CB 3.74Å; L139-A307 HydrophobicContact CD1-CB 4.24Å; Q140-A307 HydrophobicContact CG-CB 4.38Å; P219-A307 VanDerWaalsContact CA-O 3.31Å; P219-A307 WeakPolarHBondContact CA-O 3.3Å; C220-A307 PolarHBondContact N-O 3.1Å; C220-A307 VanDerWaalsContact N-O 3.12Å; C220-A307 PolarHBondContact O-N 3.5Å
308S95.3Very high97Very high64 Ų6451.7 Ų51.745%0.44828%0.284SS..  trans-61.9155.8173.9-52.40000111.1Q140Q140-S308 PolarHBondContact NE2-O 3.03Å
309A97.1Very high97Very high12 Ų1254.5 Ų54.510%0.09930%0.299CS..  trans-57.8144.7167.200000110T7 A8 F217 P219T7-A309 CarbonylContact C-O 3.55Å; T7-A309 WeakPolarHBondContact CA-O 3.26Å; T7-A309 HydrophobicContact CG2-CB 3.96Å; A8-A309 PolarHBondContact N-O 3.2Å; F217-A309 CarbonylContact O-C 3.3Å; F217-A309 WeakPolarHBondContact O-CA 3.36Å; F217-A309 WeakPolarHBondContact O-CB 3.38Å; P219-A309 HydrophobicContact CG-CB 3.91Å
310I97.8Very high96.9Very high0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-128.4150.117571169.2000111.2A8 F10 A136 F137 Q140 F207 F211 F217A8-I310 HydrophobicContact CB-CG2 4.31Å; A8-I310 VanDerWaalsContact O-CA 3.29Å; A8-I310 WeakPolarHBondContact O-CA 3.46Å; F10-I310 HydrophobicContact CD2-CB 4.19Å; F10-I310 HydrophobicContact CD2-CG2 4.22Å; F10-I310 HydrophobicContact CE2-CB 4.12Å; F10-I310 HydrophobicContact CE2-CG2 3.64Å; A136-I310 HydrophobicContact CB-CG2 4.11Å; F137-I310 HydrophobicContact CD2-CD1 4Å; Q140-I310 HydrophobicContact CB-CD1 3.71Å; Q140-I310 HydrophobicContact CB-CG1 4.24Å; Q140-I310 HydrophobicContact CG-CD1 3.86Å; Q140-I310 HydrophobicContact CG-CG1 3.9Å; Q140-I310 HydrophobicContact CG-CG2 4Å; F207-I310 HydrophobicContact CZ-CD1 3.93Å; F211-I310 HydrophobicContact CD2-CD1 3.81Å; F211-I310 HydrophobicContact CD2-CG1 4.21Å; F211-I310 HydrophobicContact CE2-CB 4.38Å; F211-I310 HydrophobicContact CE2-CD1 3.83Å; F211-I310 HydrophobicContact CE2-CG1 4.06Å; F217-I310 HydrophobicContact CB-CG1 3.77Å; F217-I310 HydrophobicContact CD2-CD1 4.31Å; F217-I310 HydrophobicContact CD2-CG1 4.08Å; F217-I310 HydrophobicContact CG-CG1 4.26Å; F217-I310 PolarHBondContact N-O 2.86Å; F217-I310 PolarHBondContact O-N 2.94Å
311R96.8Very high96.7Very high76 Ų7662.8 Ų62.829%0.28735%0.345SS..EExtended strand (participates in β ladder)trans-150.6161.3167.468.9-177.6-175.6177.12.6111.2T7 A8 R9 F10 E216T7-R311 HydrophobicContact CG2-CB 4.29Å; T7-R311 HydrophobicContact CG2-CG 3.81Å; A8-R311 PolarHBondContact O-N 3.3Å; A8-R311 VanDerWaalsContact O-N 3.09Å; R9-R311 WeakPolarHBondContact CA-O 3.19Å; R9-R311 HydrophobicContact CG-CG 4.26Å; R9-R311 VanDerWaalsContact CZ-NH2 3.35Å; F10-R311 PolarHBondContact N-O 3.45Å; E216-R311 HydrophobicContact CB-CB 4.36Å; E216-R311 HydrophobicContact CG-CB 3.83Å; E216-R311 WeakPolarHBondContact OE1-CD 3.44Å; E216-R311 IonicContact OE1-CZ 2.74Å; E216-R311 IonicContact OE1-NE 2.77Å; E216-R311 IonicContact OE1-NH1 2.8Å; E216-R311 PolarHBondContact OE1-NH1 2.83Å
312K96.1Very high96.6Very high79 Ų7956.9 Ų56.934%0.34333%0.331SS..EExtended strand (participates in β ladder)trans-64.7135.2171.1-169.4-179.265.3-179.10110.3F10 A12 F211 N212F10-K312 CarbonylContact O-C 3.57Å; F10-K312 WeakPolarHBondContact O-CA 3.3Å; A12-K312 HydrophobicContact CB-CD 4.01Å; A12-K312 HydrophobicContact CB-CG 4.43Å; F211-K312 HydrophobicContact CE1-CB 4.2Å; F211-K312 HydrophobicContact CE1-CG 4.47Å; F211-K312 HydrophobicContact CZ-CB 4.13Å; N212-K312 WeakPolarHBondContact O-CD 3.36Å; N212-K312 WeakPolarHBondContact O-CE 3.23Å; N212-K312 PolarHBondContact O-NZ 3.19Å
313A91.9Very high96.4Very high90 Ų9051 Ų5174%0.74432%0.32SS*.  trans-62.5017700000112.8R9 F10R9-A313 HydrophobicContact CB-CB 4.18Å; F10-A313 PolarHBondContact O-N 2.91Å

Retrieved 313 of 313 residues in 711.3 ms (Link to these results)

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