A0A060VHE9_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VHE9, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 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
1M36.3Very low37.7Very low247 Ų247152.7 Ų152.7100%1.21785%0.849SS**  094.50-87.3175.7-90.400107.9
2A30.5Very low38Very low103 Ų103154.3 Ų154.385%0.85185%0.852SS**  trans-107.1114.6173.100000106.5M4A2-M4 PolarHBondContact O-N 3.2Å
3V32.3Very low38Very low144 Ų144153.5 Ų153.587%0.87385%0.845SS**  trans-82.5111.3178.2177.70000107.4A5V3-A5 PolarHBondContact O-N 3.34Å
4M31.1Very low38.1Very low179 Ų179147.3 Ų147.388%0.88282%0.818SS**  trans-80.6109.4176.6-172.7166.248.100108.2A2A2-M4 PolarHBondContact O-N 3.2Å
5A32.6Very low38Very low82 Ų82140.6 Ų140.668%0.67880%0.796SS**  trans-72.1137.7174.800000110.4V3 R7V3-A5 PolarHBondContact O-N 3.34Å; A5-R7 PolarHBondContact O-N 2.96Å
6P36.6Very low38Very low114 Ų114136.3 Ų136.374%0.7478%0.783SS**  trans-77.1121.6-178.929.5-30000110.7T8P6-T8 PolarHBondContact O-N 3.09Å; P6-T8 VanDerWaalsContact O-N 3.17Å
7R43.9Very low37.8Very low249 Ų249135.4 Ų135.494%0.9477%0.774SS**  trans-71.293.7164.7-80.3178.6164.5151.1-4.8109.1A5A5-R7 PolarHBondContact O-N 2.96Å
8T45.2Very low37.7Very low114 Ų114131.1 Ų131.170%0.69976%0.757SS**  trans-145.280.9170.132.30000109.2P6P6-T8 PolarHBondContact O-N 3.09Å; P6-T8 VanDerWaalsContact O-N 3.17Å
9L43Very low37.6Very low168 Ų168130.8 Ų130.888%0.8875%0.753SS**  trans-163.455.8166.4-126.3138.4000112.9
10V40.9Very low37.6Very low132 Ų132128.5 Ų128.580%0.874%0.74SS**  trans-150.972.4160.1-169.30000109.3
11L42Very low37.7Very low148 Ų148130.4 Ų130.478%0.77574%0.743SS**  trans-139.32.3169.9-94.4170.9000114.5
12L41.7Very low38Very low171 Ų171123 Ų12390%0.89571%0.711SS**SBendtrans-92.1-7.4-178-73.9166.7000114.5
13L38.3Very low38.9Very low145 Ų145126.4 Ų126.476%0.75970%0.702SS**SBendtrans-96.2-6.5177-75.9161.4000113.7
14S38.8Very low40.1Very low66 Ų66122.7 Ų122.746%0.46269%0.687SS.*Hα-helixtrans-82.8-21.1-179.2-38.10000113.1A18S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3.22Å; S14-A18 VanDerWaalsContact O-N 3.14Å
15G37Very low42.2Very low47 Ų47115.3 Ų115.349%0.48566%0.657SS.*Hα-helixtrans-71.1-36.1-176.500000113.7
16A37.4Very low45Very low72 Ų72112.8 Ų112.860%0.59563%0.634SS**Hα-helixtrans-76.2-32.4179.300000112.7
17L35Very low47.8Very low121 Ų121108.4 Ų108.463%0.63460%0.604SS**Hα-helixtrans-78-31.3177.2-80.1159000112.6L19 T20L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.95Å; L17-T20 PolarHBondContact O-N 3.22Å; L17-T20 PolarHBondContact O-OG1 2.9Å
18A35.4Very low50.4Low57 Ų5797.6 Ų97.647%0.47157%0.566SS.*Hα-helixtrans-66.8-30.2179.500000113.5S14S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3.22Å; S14-A18 VanDerWaalsContact O-N 3.14Å
19L36.6Very low52.9Low127 Ų12792.1 Ų92.167%0.66553%0.533SS*.Hα-helixtrans-74.9-28.6175.7-90.8143.6000112.9L17 Q21L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.95Å; L19-Q21 VanDerWaalsContact C-N 3.29Å; L19-Q21 PolarHBondContact O-N 3.47Å
20T38.3Very low55.5Low83 Ų8386.4 Ų86.451%0.50950%0.5SS..Hα-helixtrans-74.1-18.2179.258.70000114L17L17-T20 PolarHBondContact O-N 3.22Å; L17-T20 PolarHBondContact O-OG1 2.9Å
21Q38Very low58.3Low170 Ų17080.6 Ų80.679%0.79446%0.463SS*.THydrogen-bonded Turntrans-101.8-5.8-165.5-134.6173.920.700115.1L19L19-Q21 VanDerWaalsContact C-N 3.29Å; L19-Q21 PolarHBondContact O-N 3.47Å
22T42.8Very low61Low90 Ų9077.6 Ų77.655%0.55244%0.444SS*.SBendtrans-103-10-165.745.30000116.2
23W49.8Very low63.7Low175 Ų17569.7 Ų69.766%0.66340%0.403SS*.SBendtrans-135.7-5.7-172.2-65.181.4000116.6G25 S26W23-G25 PolarHBondContact O-N 3.4Å; W23-S26 PolarHBondContact O-N 2.98Å; W23-S26 PolarHBondContact O-OG 3.43Å
24A58.6Low66.6Low66 Ų6664.8 Ų64.855%0.54538%0.379SS..THydrogen-bonded Turntrans-63.4110.5173.600000109.5
25G75.1Confident69.4Low24 Ų2461.7 Ų61.725%0.24736%0.357CS..THydrogen-bonded Turntrans81.114.8178.500000117.1W23 S129W23-G25 PolarHBondContact O-N 3.4Å; G25-S129 WeakPolarHBondContact O-CA 3.35Å; G25-S129 PolarHBondContact O-N 3.43Å
26S90.9Very high72.4Confident30 Ų3061.7 Ų61.721%0.2135%0.348CS..  trans-82149.2163.359.70000110.3W23 V127W23-S26 PolarHBondContact O-N 2.98Å; W23-S26 PolarHBondContact O-OG 3.43Å; S26-V127 WeakPolarHBondContact CA-O 3.46Å; S26-V127 WeakPolarHBondContact CB-O 3.37Å
27H95.1Very high75.2Confident21 Ų2159.1 Ų59.110%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-136.6157.2179.7-65.1-78.7000111.3D53 D126 V127 L196H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.73Å; H27-D53 IonicContact CG-OD2 2.7Å; H27-D53 IonicContact ND1-OD1 3.44Å; H27-D53 IonicContact ND1-OD2 3.38Å; H27-D53 PolarHBondContact ND1-OD2 3.03Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; H27-V127 HydrophobicContact CB-CG2 3.93Å; H27-V127 PolarHBondContact N-O 2.9Å; H27-V127 PolarHBondContact O-N 3.32Å; H27-L196 HydrophobicContact CB-CD1 3.47Å; H27-L196 VanDerWaalsContact CB-CD1 3.47Å; H27-L196 HydrophobicContact CB-CD2 4.22Å; H27-L196 HydrophobicContact CB-CG 4.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å
28S97.3Very high78.2Confident22 Ų2256.7 Ų56.715%0.15431%0.308CS..EExtended strand (participates in β ladder)trans-137.9150.9-179.767.50000112.4V52 D53 C125 D126S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.32Å; S28-D53 PolarHBondContact N-OD1 2.88Å; S28-D53 PolarHBondContact O-N 3.36Å; S28-C125 WeakPolarHBondContact CA-O 3.31Å; S28-D126 WeakPolarHBondContact CB-OD1 3.28Å
29M98.5Very high80.9Confident0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-121.2123.5165.7-174.3173.157.400108.6Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195M29-Y31 HydrophobicContact CE-CE2 4.07Å; M29-Y31 HydrophobicContact CG-CE2 3.97Å; M29-Y31 HydrophobicContact SD-CE2 3.81Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.46Å; M29-F57 HydrophobicContact CG-CE1 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.37Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; M29-C125 PolarHBondContact N-O 3.3Å; M29-C125 PolarHBondContact O-N 2.92Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.33Å; M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.2Å; M29-L192 HydrophobicContact CB-CG 4.33Å; M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30R98.6Very high83.4Confident48 Ų4854.8 Ų54.818%0.18132%0.315CS..EExtended strand (participates in β ladder)trans-130.7134.5-178.3-56.3-63.3179.375.46.4111.2F32 G50 Y51 D126 Y137R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; R30-Y51 PolarHBondContact N-O 3.2Å; R30-Y51 PolarHBondContact O-N 3.49Å; R30-D126 IonicContact CZ-OD1 2.72Å; R30-D126 IonicContact NE-OD1 3.42Å; R30-D126 PolarHBondContact NE-OD1 2.89Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.01Å; R30-D126 PolarHBondContact NH2-OD1 3.34Å; R30-D126 IonicContact NH2-OD2 3.55Å; R30-D126 PolarHBondContact NH2-OD2 2.87Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.43Å; R30-Y137 PolarHBondContact NH2-OH 2.88Å
31Y98.8Very high86Confident9 Ų961 Ų614%0.03533%0.329CS..EExtended strand (participates in β ladder)trans-112.7136.7170.5-68.7-89.9000110.1M29 F33 V49 F57 V58 M122 Y123M29-Y31 HydrophobicContact CE-CE2 4.07Å; M29-Y31 HydrophobicContact CG-CE2 3.97Å; M29-Y31 HydrophobicContact SD-CE2 3.81Å; Y31-F33 HydrophobicContact CD1-CE1 4.3Å; Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; Y31-F57 AromaticContact CE1-CZ 3.95Å; Y31-F57 HydrophobicContact CE1-CZ 3.95Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; Y31-V58 HydrophobicContact CE1-CG2 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.26Å; Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.72Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.27Å; Y31-Y123 HydrophobicContact CG-CE2 4.15Å; Y31-Y123 AromaticContact CG-CZ 3.75Å; Y31-Y123 PolarHBondContact N-O 3.47Å; Y31-Y123 PolarHBondContact O-N 2.89Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32F98.8Very high88.5Confident86 Ų8655.7 Ų55.738%0.37732%0.32SS..EExtended strand (participates in β ladder)trans-123.7118.2178.3-57.1-97.4000109.3R30 A48 V49 Y51 R121 M122R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-A48 WeakPolarHBondContact O-CA 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 HydrophobicContact CG-CG2 4.5Å; F32-V49 PolarHBondContact N-O 3.48Å; F32-V49 PolarHBondContact O-N 2.93Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.32Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.39Å; F32-M122 HydrophobicContact CZ-CG 3.94Å
33F98.8Very high91Very high5 Ų556.6 Ų56.62%0.02232%0.318CS..EExtended strand (participates in β ladder)trans-112.3133177.3-58.3-13.4000109.1Y31 F46 I47 A48 H94 Q120 R121 Y123Y31-F33 HydrophobicContact CD1-CE1 4.3Å; F33-F46 HydrophobicContact CB-CE2 3.88Å; F33-F46 HydrophobicContact CB-CZ 3.77Å; F33-F46 HydrophobicContact CD1-CZ 4.34Å; F33-F46 HydrophobicContact CD2-CE2 4.49Å; F33-F46 AromaticContact CD2-CZ 3.92Å; F33-F46 HydrophobicContact CD2-CZ 3.92Å; F33-F46 HydrophobicContact CG-CE2 4.34Å; F33-F46 AromaticContact CG-CZ 3.76Å; F33-F46 HydrophobicContact CG-CZ 3.76Å; F33-I47 CarbonylContact C-O 3.52Å; F33-I47 WeakPolarHBondContact CA-O 3.37Å; F33-A48 HydrophobicContact CD1-CB 3.27Å; F33-A48 HydrophobicContact CE1-CB 3.49Å; F33-A48 VanDerWaalsContact CE1-CB 3.49Å; F33-A48 HydrophobicContact CG-CB 4.18Å; F33-H94 HydrophobicContact CD2-CB 4.16Å; F33-H94 HydrophobicContact CE2-CB 3.89Å; F33-H94 AromaticContact CE2-CD2 3.49Å; F33-H94 VanDerWaalsContact CE2-CD2 3.49Å; F33-H94 WeakPolarHBondContact CE2-CD2 2.95Å; F33-H94 AromaticContact CE2-CG 3.65Å; F33-Q120 CarbonylContact O-C 3.49Å; F33-Q120 VanDerWaalsContact O-CA 3.27Å; F33-Q120 WeakPolarHBondContact O-CA 3.33Å; F33-R121 HydrophobicContact CB-CB 4.34Å; F33-R121 PolarHBondContact N-O 2.72Å; F33-R121 PolarHBondContact O-N 3.28Å; F33-Y123 HydrophobicContact CD2-CE1 4.25Å; F33-Y123 HydrophobicContact CE1-CE1 4.19Å; F33-Y123 AromaticContact CE2-CE1 3.58Å; F33-Y123 HydrophobicContact CE2-CE1 3.58Å; F33-Y123 AromaticContact CZ-CE1 3.55Å; F33-Y123 HydrophobicContact CZ-CE1 3.55Å; F33-Y123 AromaticContact CZ-CZ 3.91Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.47Å
34T98.8Very high93.2Very high41 Ų4149.3 Ų49.325%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-130.1126.7176.5-59.70000108.9V36 F46 I47 T118 Q120T34-V36 HydrophobicContact CG2-CG2 4.11Å; T34-F46 WeakPolarHBondContact O-CA 3.5Å; T34-I47 PolarHBondContact N-O 2.9Å; T34-I47 PolarHBondContact O-N 3.48Å; T34-T118 HydrophobicContact CG2-CG2 3.92Å; T34-Q120 HydrophobicContact CG2-CG 4.04Å
35S98.7Very high95.1Very high1 Ų150.6 Ų50.61%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-119.3128.8171.7-1630000110.2R45 L102 T118 V119S35-R45 CarbonylContact C-O 3.58Å; S35-R45 VanDerWaalsContact CA-O 3.24Å; S35-R45 WeakPolarHBondContact CA-O 3.28Å; S35-L102 WeakPolarHBondContact OG-CD1 3.28Å; S35-T118 CarbonylContact O-C 3.54Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.31Å; S35-V119 PolarHBondContact N-O 3.22Å; S35-V119 PolarHBondContact O-N 3.45Å
36V98.4Very high96.2Very high48 Ų4849.4 Ų49.429%0.29127%0.272SS..EExtended strand (participates in β ladder)trans-119.4117.2179.5-1740000108.4T34 P44 R45 H117 T118T34-V36 HydrophobicContact CG2-CG2 4.11Å; V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; V36-R45 PolarHBondContact N-O 3.25Å; V36-R45 PolarHBondContact O-N 2.89Å; V36-H117 WeakPolarHBondContact CA-O 3.41Å; V36-T118 HydrophobicContact CG2-CG2 4.13Å
37S97.6Very high96.6Very high18 Ų1850 Ų5013%0.12627%0.273CS..  trans-67.1149.8174.971.40000110.7S116 H117S37-S116 PolarHBondContact O-OG 2.82Å; S37-H117 PolarHBondContact N-O 2.85Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 3.41Å
38R96.3Very high96.8Very high69 Ų6949.1 Ų49.126%0.2627%0.268SS..  trans-134.573.5-177.5-58.4-176.8-75.3-161.9-10.7110.5G40 R41 E43 D63R38-G40 PolarHBondContact O-N 2.92Å; R38-R41 HydrophobicContact CB-CB 4.02Å; R38-R41 PolarHBondContact O-N 3.49Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.9Å; R38-E43 PolarHBondContact NH2-O 3.36Å; R38-D63 IonicContact CZ-OD1 3.72Å; R38-D63 IonicContact CZ-OD2 3.87Å; R38-D63 IonicContact NH1-OD1 3.65Å; R38-D63 PolarHBondContact NH1-OD1 3.44Å; R38-D63 IonicContact NH1-OD2 3.42Å; R38-D63 PolarHBondContact NH1-OD2 3.15Å; R38-D63 IonicContact NH2-OD1 3.33Å; R38-D63 PolarHBondContact NH2-OD1 3.39Å; R38-D63 IonicContact NH2-OD2 3.57Å
39P91.9Very high96.8Very high53 Ų5349.1 Ų49.134%0.34427%0.267SS..THydrogen-bonded Turntrans-49.9126.8-177.4-26.734.3000112.2R41 E113 G115P39-R41 PolarHBondContact O-N 2.99Å; P39-E113 WeakPolarHBondContact CB-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; P39-G115 WeakPolarHBondContact CG-O 3.49Å
40G90.3Very high96.8Very high92 Ų9249.1 Ų49.195%0.94827%0.267SS*.THydrogen-bonded Turntrans71.34.7-178.600000116.1R38R38-G40 PolarHBondContact O-N 2.92Å
41R92.1Very high96.8Very high213 Ų21350.2 Ų50.280%0.80427%0.272SS*.SBendtrans-125.123.2-178.9-58.1-178.5-179.7-175.4-0.2113.2R38 P39R38-R41 HydrophobicContact CB-CB 4.02Å; R38-R41 PolarHBondContact O-N 3.49Å; P39-R41 PolarHBondContact O-N 2.99Å
42G91.4Very high96.8Very high59 Ų5949.8 Ų49.861%0.60827%0.27SS*.SBendtrans93.7-157.517700000114.1
43E94.4Very high96.6Very high109 Ų10947.1 Ų47.151%0.50926%0.26SS..SBendtrans-65.6151.9-177.3-66.7-67.115600112.1R38 R45 R99R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 2.9Å; R38-E43 PolarHBondContact NH2-O 3.36Å; E43-R45 PolarHBondContact O-N 3Å; E43-R99 VanDerWaalsContact CD-NH1 3.25Å; E43-R99 IonicContact OE1-NH1 3.12Å; E43-R99 PolarHBondContact OE1-NH1 3.34Å; E43-R99 WeakPolarHBondContact OE2-CD 3.43Å; E43-R99 IonicContact OE2-CZ 3.24Å; E43-R99 IonicContact OE2-NE 2.78Å; E43-R99 IonicContact OE2-NH1 3.71Å; E43-R99 PolarHBondContact OE2-NH1 3Å
44P97.1Very high96.4Very high22 Ų2250 Ų5014%0.14328%0.276CS..PPolyproline II helixtrans-53.5138.5172.5-25.435.1000111.9V36 R99 L102V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; P44-R99 HydrophobicContact CG-CG 4.21Å; P44-L102 HydrophobicContact CB-CD1 3.59Å; P44-L102 HydrophobicContact CG-CD1 3.66Å
45R98.1Very high96.2Very high92 Ų9249.1 Ų49.135%0.34727%0.271SS..EExtended strand (participates in β ladder)trans-74.2130.3170.7-171.9175.7179.3-177.2-2.3108.2S35 V36 E43 I47 D61 S62 D63S35-R45 CarbonylContact C-O 3.58Å; S35-R45 VanDerWaalsContact CA-O 3.24Å; S35-R45 WeakPolarHBondContact CA-O 3.28Å; V36-R45 PolarHBondContact N-O 3.25Å; V36-R45 PolarHBondContact O-N 2.89Å; E43-R45 PolarHBondContact O-N 3Å; R45-I47 HydrophobicContact CG-CG1 4.4Å; R45-D61 IonicContact CZ-OD1 2.71Å; R45-D61 IonicContact CZ-OD2 3.73Å; R45-D61 IonicContact NE-OD1 3.54Å; R45-D61 PolarHBondContact NE-OD1 3.28Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.58Å; R45-D61 IonicContact NH2-OD1 2.97Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.27Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 IonicContact NE-OD2 3.47Å
46F98.6Very high96.2Very high0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-118.9124.4176.6-179-90.5000110.1F33 T34 A48 F60 S62 V91 H94 S95 H98F33-F46 HydrophobicContact CB-CE2 3.88Å; F33-F46 HydrophobicContact CB-CZ 3.77Å; F33-F46 HydrophobicContact CD1-CZ 4.34Å; F33-F46 HydrophobicContact CD2-CE2 4.49Å; F33-F46 AromaticContact CD2-CZ 3.92Å; F33-F46 HydrophobicContact CD2-CZ 3.92Å; F33-F46 HydrophobicContact CG-CE2 4.34Å; F33-F46 AromaticContact CG-CZ 3.76Å; F33-F46 HydrophobicContact CG-CZ 3.76Å; T34-F46 WeakPolarHBondContact O-CA 3.5Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 4.22Å; F46-F60 AromaticContact CD1-CD1 3.84Å; F46-F60 HydrophobicContact CD1-CD1 3.84Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.21Å; F46-S62 PolarHBondContact N-OG 2.63Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 2.96Å; F46-V91 HydrophobicContact CE1-CG2 3.7Å; F46-V91 HydrophobicContact CZ-CG2 4.49Å; F46-H94 HydrophobicContact CZ-CB 4.16Å; F46-S95 WeakPolarHBondContact CB-OG 3.36Å; F46-H98 HydrophobicContact CD2-CB 4.04Å; F46-H98 HydrophobicContact CE2-CB 4.05Å; F46-H98 AromaticContact CE2-CD2 3.93Å; F46-H98 AromaticContact CE2-CG 3.67Å; F46-H98 AromaticContact CE2-ND1 3.8Å
47I98.8Very high96.1Very high43 Ų4349.1 Ų49.122%0.22127%0.267CS..EExtended strand (participates in β ladder)trans-120.6132.2175.8-61.5170000107.8F33 T34 R45 V49 F60F33-I47 CarbonylContact C-O 3.52Å; F33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 2.9Å; T34-I47 PolarHBondContact O-N 3.48Å; R45-I47 HydrophobicContact CG-CG1 4.4Å; I47-V49 HydrophobicContact CG2-CG1 4.33Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48A98.8Very high96.2Very high1 Ų148.3 Ų48.31%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-125.1137.8171.100000110F32 F33 F46 R59 F60 V91F32-A48 WeakPolarHBondContact O-CA 3.37Å; F33-A48 HydrophobicContact CD1-CB 3.27Å; F33-A48 HydrophobicContact CE1-CB 3.49Å; F33-A48 VanDerWaalsContact CE1-CB 3.49Å; F33-A48 HydrophobicContact CG-CB 4.18Å; F46-A48 HydrophobicContact CE1-CB 3.76Å; F46-A48 HydrophobicContact CZ-CB 4.22Å; A48-R59 CarbonylContact O-C 3.53Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.91Å; A48-F60 PolarHBondContact O-N 3.42Å; A48-V91 HydrophobicContact CB-CG2 3.63Å
49V98.8Very high96.3Very high22 Ų2248.3 Ų48.313%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-134.5144.8174.4-62.70000109.8Y31 F32 I47 Y51 Q56 V58 R59Y31-V49 CarbonylContact C-O 3.55Å; Y31-V49 WeakPolarHBondContact CA-O 3.44Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 HydrophobicContact CG-CG2 4.5Å; F32-V49 PolarHBondContact N-O 3.48Å; F32-V49 PolarHBondContact O-N 2.93Å; I47-V49 HydrophobicContact CG2-CG1 4.33Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.45Å; V49-R59 HydrophobicContact CG1-CG 4.21Å
50G98.7Very high96.6Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-122.9138.4176.200000110.6R30 Q56 F57 V58R30-G50 CarbonylContact O-C 3.59Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 WeakPolarHBondContact O-CG 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.06Å; G50-F57 PolarHBondContact O-N 2.92Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.92Å
51Y98.5Very high97Very high71 Ų7142.6 Ų42.628%0.27821%0.206SC..EExtended strand (participates in β ladder)trans-124.8141.5178.5-74-101.9000110.3M29 R30 F32 V49 T55 Q56M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.28Å; R30-Y51 PolarHBondContact N-O 3.2Å; R30-Y51 PolarHBondContact O-N 3.49Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; Y51-T55 WeakPolarHBondContact CA-O 3.2Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 3.97Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.4Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.18Å; Y51-Q56 HydrophobicContact CE2-CB 4.15Å; Y51-Q56 HydrophobicContact CE2-CG 3.92Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52V98Very high97.3Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-108.3120.1156176.90000105.8S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.32Å; M29-V52 HydrophobicContact CG-CG2 4.46Å; V52-D54 PolarHBondContact O-N 3.44Å; V52-T55 PolarHBondContact N-O 3.43Å; V52-T55 PolarHBondContact O-N 3.37Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; V52-L192 HydrophobicContact CG1-CD1 3.66Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; V52-L196 HydrophobicContact CG1-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CG 4.26Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53D95.1Very high97.6Very high30 Ų3034.1 Ų34.116%0.1616%0.164CC..THydrogen-bonded Turntrans49.1-123.7-167.2-53.1-38.1000110.5H27 S28H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 3.73Å; H27-D53 IonicContact CG-OD2 2.7Å; H27-D53 IonicContact ND1-OD1 3.44Å; H27-D53 IonicContact ND1-OD2 3.38Å; H27-D53 PolarHBondContact ND1-OD2 3.03Å; S28-D53 PolarHBondContact N-OD1 2.88Å; S28-D53 PolarHBondContact O-N 3.36Å
54D93.9Very high97.7Very high66 Ų6630.4 Ų30.435%0.35315%0.152SC..THydrogen-bonded Turntrans-93.47.1179.2-53-59.6000113.4V52 A235 F265V52-D54 PolarHBondContact O-N 3.44Å; D54-A235 HydrophobicContact CB-CB 4.13Å; D54-A235 VanDerWaalsContact CG-CB 3.44Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.16Å; D54-F265 HydrophobicContact CB-CE1 4.5Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.5Å; D54-F265 VanDerWaalsContact CB-CZ 3.5Å
55T95.5Very high97.7Very high23 Ų2334.8 Ų34.814%0.14119%0.19CC..EExtended strand (participates in β ladder)trans-104.3114.9-175.8-60.30000111.6Y51 V52 F57 L203 Y233Y51-T55 WeakPolarHBondContact CA-O 3.2Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; V52-T55 PolarHBondContact N-O 3.43Å; V52-T55 PolarHBondContact O-N 3.37Å; T55-F57 PolarHBondContact O-N 3.49Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 PolarHBondContact OG1-OH 3.01Å
56Q97.2Very high97.5Very high49 Ų4932.9 Ų32.923%0.22919%0.191CC..EExtended strand (participates in β ladder)trans-68.4129.2173.6-166.1-179.7-1.500110.4V49 G50 Y51 V58 R72V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 WeakPolarHBondContact O-CG 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 3.97Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.4Å; Y51-Q56 HydrophobicContact CE1-CB 3.48Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.48Å; Y51-Q56 HydrophobicContact CE1-CG 4.18Å; Y51-Q56 HydrophobicContact CE2-CB 4.15Å; Y51-Q56 HydrophobicContact CE2-CG 3.92Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.42Å; Q56-V58 VanDerWaalsContact NE2-O 3.13Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.52Å
57F98.1Very high97.3Very high0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-119.6-22-179.975.7-82.6000114.4M29 Y31 G50 V52 T55 P71 R72 A73 W75 I76 Y195M29-F57 HydrophobicContact CG-CE1 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.37Å; Y31-F57 AromaticContact CE1-CZ 3.95Å; Y31-F57 HydrophobicContact CE1-CZ 3.95Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.06Å; G50-F57 PolarHBondContact O-N 2.92Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 3.49Å; F57-P71 CarbonylContact O-C 3.55Å; F57-R72 PolarHBondContact O-N 2.94Å; F57-A73 HydrophobicContact CB-CB 4.18Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.12Å; F57-W75 AromaticContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CZ3 4.15Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 4Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.36Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CE2-CE2 3.68Å; F57-Y195 AromaticContact CE2-CZ 3.97Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å
58V98.5Very high97.3Very high1 Ų142.3 Ų42.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-139.5153.8176-72.70000112.9Y31 V49 G50 Q56 M69 E70 I76 W84Y31-V58 HydrophobicContact CE1-CG2 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.45Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.92Å; Q56-V58 PolarHBondContact NE2-O 3.42Å; Q56-V58 VanDerWaalsContact NE2-O 3.13Å; V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.73Å; V58-M69 HydrophobicContact CG1-CG 4.12Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.16Å; V58-E70 WeakPolarHBondContact CA-O 3.36Å; V58-I76 HydrophobicContact CG1-CG1 4.48Å; V58-W84 HydrophobicContact CG1-CH2 4.12Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å
59R98.6Very high97.3Very high68 Ų6842.8 Ų42.826%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-145.4143.9172.8-179.1173.3170.7100.46.1111.4A48 V49 D61 M69 E70 R72A48-R59 CarbonylContact O-C 3.53Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; V49-R59 HydrophobicContact CG1-CG 4.21Å; R59-D61 IonicContact NH2-OD2 2.96Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; R59-M69 VanDerWaalsContact C-SD 3.59Å; R59-E70 PolarHBondContact N-O 2.87Å; R59-E70 PolarHBondContact O-N 3.43Å; R59-R72 HydrophobicContact CB-CG 3.85Å
60F98.8Very high97.3Very high5 Ų544.6 Ų44.62%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-131.2142.9165.1175.1-85.1000109.8F46 I47 A48 Q67 R68 M69 V91 K92F46-F60 AromaticContact CD1-CD1 3.84Å; F46-F60 HydrophobicContact CD1-CD1 3.84Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.21Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.91Å; A48-F60 PolarHBondContact O-N 3.42Å; F60-Q67 VanDerWaalsContact CE2-C 3.49Å; F60-Q67 HydrophobicContact CE2-CB 4.39Å; F60-Q67 WeakPolarHBondContact CE2-O 3.31Å; F60-Q67 HydrophobicContact CZ-CB 4.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.06Å; F60-M69 HydrophobicContact CB-CE 4.33Å; F60-M69 HydrophobicContact CB-SD 3.97Å; F60-V91 HydrophobicContact CB-CG1 4.14Å; F60-V91 HydrophobicContact CB-CG2 3.82Å; F60-V91 HydrophobicContact CD1-CG1 4.33Å; F60-V91 HydrophobicContact CD1-CG2 3.94Å; F60-V91 HydrophobicContact CD2-CG1 3.4Å; F60-V91 HydrophobicContact CD2-CG2 4.35Å; F60-V91 HydrophobicContact CE2-CG1 3.79Å; F60-V91 HydrophobicContact CG-CB 4.44Å; F60-V91 HydrophobicContact CG-CG1 3.71Å; F60-V91 HydrophobicContact CG-CG2 3.78Å; F60-V91 HydrophobicContact CZ-CG1 4.42Å; F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.21Å
61D98.6Very high97.2Very high20 Ų2046.6 Ų46.611%0.10725%0.25CC..EExtended strand (participates in β ladder)trans-137.1122173.8-162.4-31.5000109.1R45 R59 D63 A64R45-D61 IonicContact CZ-OD1 2.71Å; R45-D61 IonicContact CZ-OD2 3.73Å; R45-D61 IonicContact NE-OD1 3.54Å; R45-D61 PolarHBondContact NE-OD1 3.28Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.58Å; R45-D61 IonicContact NH2-OD1 2.97Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.27Å; R59-D61 IonicContact NH2-OD2 2.96Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; D61-D63 PolarHBondContact O-N 3.49Å; D61-D63 PolarHBondContact OD1-N 2.84Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 3.39Å; D61-A64 VanDerWaalsContact O-N 3.11Å
62S98.1Very high97.2Very high17 Ų1748 Ų4812%0.11926%0.255CS..THydrogen-bonded Turntrans-63.7-23.9-178.964.30000113.2R45 F46 Q67R45-S62 WeakPolarHBondContact CA-OG 3.39Å; F46-S62 PolarHBondContact N-OG 2.63Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 2.96Å; S62-Q67 PolarHBondContact O-NE2 3.36Å
63D97.2Very high97.1Very high78 Ų7848.2 Ų48.242%0.41726%0.256SS..THydrogen-bonded Turntrans-87.5-8179.6-69.80.1000112.3R38 R45 D61R38-D63 IonicContact CZ-OD1 3.72Å; R38-D63 IonicContact CZ-OD2 3.87Å; R38-D63 IonicContact NH1-OD1 3.65Å; R38-D63 PolarHBondContact NH1-OD1 3.44Å; R38-D63 IonicContact NH1-OD2 3.42Å; R38-D63 PolarHBondContact NH1-OD2 3.15Å; R38-D63 IonicContact NH2-OD1 3.33Å; R38-D63 PolarHBondContact NH2-OD1 3.39Å; R38-D63 IonicContact NH2-OD2 3.57Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.36Å; R45-D63 IonicContact NE-OD2 3.47Å; D61-D63 PolarHBondContact O-N 3.49Å; D61-D63 PolarHBondContact OD1-N 2.84Å
64A97.1Very high97.1Very high31 Ų3151.7 Ų51.726%0.25628%0.281SS..SBendtrans-71.1144.8175.600000111.2D61 S66 Q67D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 3.39Å; D61-A64 VanDerWaalsContact O-N 3.11Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.93Å; A64-Q67 WeakPolarHBondContact O-CG 3.49Å; A64-Q67 PolarHBondContact O-N 3.11Å
65A96.4Very high97.2Very high113 Ų11349.2 Ų49.293%0.93427%0.266SS*.SBendtrans-62.8-34-17900000113.6
66S93.7Very high97.4Very high53 Ų5348.1 Ų48.137%0.37126%0.26SS..SBendtrans-70.3-33.7178.960.90000112.1A64 R68 E70A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 2.93Å; S66-R68 WeakPolarHBondContact O-CG 3.23Å; S66-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact O-N 3.17Å; S66-E70 PolarHBondContact OG-OE1 3.04Å
67Q96Very high97.3Very high90 Ų9051.8 Ų51.842%0.42128%0.277SS..  trans38.749.4-167.6-59.4-172.6-23.700111.8F60 S62 A64 K92F60-Q67 VanDerWaalsContact CE2-C 3.49Å; F60-Q67 HydrophobicContact CE2-CB 4.39Å; F60-Q67 WeakPolarHBondContact CE2-O 3.31Å; F60-Q67 HydrophobicContact CZ-CB 4.49Å; S62-Q67 PolarHBondContact O-NE2 3.36Å; A64-Q67 WeakPolarHBondContact O-CG 3.49Å; A64-Q67 PolarHBondContact O-N 3.11Å; Q67-K92 WeakPolarHBondContact O-CE 3.43Å; Q67-K92 PolarHBondContact O-NZ 2.67Å; Q67-K92 VanDerWaalsContact O-NZ 3.12Å
68R97.9Very high97.2Very high150 Ų15057.8 Ų57.857%0.56631%0.305SS*.SBendtrans-121.9156.5178.5-81.2179.4170148.4-1.2110.3F60 S66 E70 T88F60-R68 WeakPolarHBondContact CD2-O 3.06Å; S66-R68 WeakPolarHBondContact O-CG 3.23Å; S66-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact O-N 3.17Å; R68-E70 PolarHBondContact O-N 2.98Å; R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.1Å
69M98.4Very high97.1Very high12 Ų1258.3 Ų58.36%0.05931%0.307CS..  trans-68.8127.6165.5-171.36581.400107.9V58 R59 F60 W84 E87 T88 V91V58-M69 HydrophobicContact CB-CG 4.09Å; V58-M69 HydrophobicContact CB-SD 3.73Å; V58-M69 HydrophobicContact CG1-CG 4.12Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.16Å; R59-M69 VanDerWaalsContact C-SD 3.59Å; F60-M69 HydrophobicContact CB-CE 4.33Å; F60-M69 HydrophobicContact CB-SD 3.97Å; M69-W84 HydrophobicContact CB-CE3 4.34Å; M69-W84 HydrophobicContact CG-CE3 4.3Å; M69-W84 HydrophobicContact CG-CZ3 4.07Å; M69-E87 HydrophobicContact CB-CB 4.13Å; M69-E87 HydrophobicContact CG-CB 4.11Å; M69-T88 PolarHBondContact N-OG1 2.88Å; M69-V91 HydrophobicContact CE-CB 3.77Å; M69-V91 HydrophobicContact CE-CG1 4.02Å; M69-V91 HydrophobicContact CE-CG2 3.89Å
70E98.2Very high97.1Very high60 Ų6056.7 Ų56.728%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-117.5141.5-175.3-62.5177.2172.600110.9V58 R59 S66 R68 R72V58-E70 WeakPolarHBondContact CA-O 3.36Å; R59-E70 PolarHBondContact N-O 2.87Å; R59-E70 PolarHBondContact O-N 3.43Å; S66-E70 PolarHBondContact OG-OE1 3.04Å; R68-E70 PolarHBondContact O-N 2.98Å; E70-R72 IonicContact OE2-CZ 2.85Å; E70-R72 IonicContact OE2-NH1 3.63Å; E70-R72 PolarHBondContact OE2-NH1 3.21Å; E70-R72 VanDerWaalsContact OE2-NH1 3.15Å; E70-R72 IonicContact OE2-NH2 3.31Å; E70-R72 PolarHBondContact OE2-NH2 3.17Å
71P98.1Very high97Very high42 Ų4261.3 Ų61.327%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-67.1148.317528.6-34.5000111.3F57 I76 E77 W84F57-P71 CarbonylContact O-C 3.55Å; P71-I76 HydrophobicContact CB-CG2 3.65Å; P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.97Å; P71-W84 HydrophobicContact CB-CZ3 4.5Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å
72R97.4Very high97Very high101 Ų10168.8 Ų68.838%0.38138%0.376SS..  trans-130.40.3173.8-65.2-63.5-178.7-94.32.7113.5Q56 F57 R59 E70Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.52Å; F57-R72 PolarHBondContact O-N 2.94Å; R59-R72 HydrophobicContact CB-CG 3.85Å; E70-R72 IonicContact OE2-CZ 2.85Å; E70-R72 IonicContact OE2-NH1 3.63Å; E70-R72 PolarHBondContact OE2-NH1 3.21Å; E70-R72 VanDerWaalsContact OE2-NH1 3.15Å; E70-R72 IonicContact OE2-NH2 3.31Å; E70-R72 PolarHBondContact OE2-NH2 3.17Å
73A96.1Very high97Very high4 Ų468.9 Ų68.93%0.03337%0.374CS..SBendtrans-137.6143.7173.100000110.6F57 W75 I76F57-A73 HydrophobicContact CB-CB 4.18Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3.18Å; A73-I76 WeakPolarHBondContact O-CG2 3.5Å; A73-I76 PolarHBondContact O-N 3.21Å
74P96.3Very high97Very high103 Ų10367 Ų6767%0.66936%0.361SS*.G310 helixtrans-58.6-37.7-177-26.634.9000113.8I76 E77P74-I76 PolarHBondContact O-N 3.43Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 3.36Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75W96.3Very high97.1Very high14 Ų1469.6 Ų69.65%0.05337%0.371CS..G310 helixtrans-69.3-14.4-176.553.8-105.7000114.4V52 F57 A73 Q78 Y195 G199 L203V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.12Å; F57-W75 AromaticContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CZ3 4.15Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.15Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3.18Å; W75-Q78 WeakPolarHBondContact O-CG 3.46Å; W75-Y195 HydrophobicContact CH2-CG 4.4Å; W75-Y195 HydrophobicContact CZ3-CD1 4.03Å; W75-Y195 AromaticContact CZ3-CG 3.87Å; W75-Y195 HydrophobicContact CZ3-CG 3.87Å; W75-G199 VanDerWaalsContact CG-CA 3.48Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.24Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å
76I97.8Very high97.1Very high0 Ų064.8 Ų64.80%033%0.333CS..G310 helixtrans-89.1-19.8173.6-163.171.2000111.9F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 4Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.36Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.48Å; P71-I76 HydrophobicContact CB-CG2 3.65Å; A73-I76 WeakPolarHBondContact O-CG2 3.5Å; A73-I76 PolarHBondContact O-N 3.21Å; P74-I76 PolarHBondContact O-N 3.43Å; I76-Q78 PolarHBondContact O-N 3.19Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.25Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.35Å; I76-E79 PolarHBondContact O-N 2.9Å; I76-Y83 HydrophobicContact CD1-CE1 4.24Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.04Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.36Å; I76-W84 WeakPolarHBondContact O-CZ2 3.19Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.39Å
77E96.7Very high97.4Very high126 Ų12663.2 Ų63.259%0.58932%0.319SS*.THydrogen-bonded Turntrans-64.1-22.1-176.7-64-177.4-177.200113.2P71 P74 E79P71-E77 HydrophobicContact CB-CG 3.76Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 3.36Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.9Å
78Q95.4Very high97.5Very high125 Ų12559.5 Ų59.558%0.58430%0.303SS*.THydrogen-bonded Turntrans-71.4-13175.669.4-17811.300114.1W75 I76 N198W75-Q78 WeakPolarHBondContact O-CG 3.46Å; I76-Q78 PolarHBondContact O-N 3.19Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 3.24Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.08Å
79E97.3Very high97.5Very high13 Ų1360.7 Ų60.76%0.06131%0.307CS..SBendtrans-65138.6175.3-68.3-62.6163.700111I76 E77 Y83 W84 R194 N198I76-E79 HydrophobicContact CD1-CG 3.7Å; I76-E79 HydrophobicContact CG1-CG 4.25Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.35Å; I76-E79 PolarHBondContact O-N 2.9Å; E77-E79 PolarHBondContact O-N 2.9Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.42Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CD2 4.32Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CE2 4.49Å; E79-Y83 HydrophobicContact CG-CG 4.08Å; E79-W84 PolarHBondContact O-NE1 2.73Å; E79-R194 IonicContact OE1-CZ 3.81Å; E79-R194 IonicContact OE1-NE 3.47Å; E79-R194 PolarHBondContact OE1-NE 2.77Å; E79-R194 IonicContact OE1-NH2 2.74Å; E79-R194 PolarHBondContact OE1-NH2 2.79Å; E79-R194 IonicContact OE2-CZ 3.03Å; E79-R194 IonicContact OE2-NE 2.69Å; E79-R194 IonicContact OE2-NH2 2.72Å; E79-R194 PolarHBondContact OE2-NH2 3.02Å; E79-N198 PolarHBondContact OE1-ND2 2.98Å; E79-N198 VanDerWaalsContact OE1-ND2 3.14Å
80G96.8Very high97.5Very high34 Ų3465.1 Ų65.135%0.35133%0.326SS..  trans-73.6170.4-173.700000114.2E82 Y83 W84G80-E82 PolarHBondContact O-N 3.03Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.46Å; G80-Y83 PolarHBondContact O-N 3.32Å; G80-W84 VanDerWaalsContact O-CD1 3.3Å; G80-W84 PolarHBondContact O-N 2.89Å
81P97.4Very high97.5Very high101 Ų10162.4 Ų62.466%0.65631%0.314SS*.Hα-helixtrans-55.4-35.6-179.6-26.434.8000114.1Y83 W84 D85P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.37Å; P81-W84 PolarHBondContact O-N 2.94Å; P81-D85 WeakPolarHBondContact O-CB 3.32Å; P81-D85 PolarHBondContact O-N 3Å
82E97.9Very high97.5Very high178 Ų17864.4 Ų64.483%0.83232%0.318SS*.Hα-helixtrans-61.2-36.2178.6-64.3-175.7175.200112.7G80 G86G80-E82 PolarHBondContact O-N 3.03Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-G86 PolarHBondContact O-N 2.87Å
83Y97.8Very high97.5Very high19 Ų1962.2 Ų62.28%0.07532%0.322CS..Hα-helixtrans-63.9-53.4174.1172.2-92.7000110.2I76 E79 G80 P81 D85 G86 E87 W191 Y195I76-Y83 HydrophobicContact CD1-CE1 4.24Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.42Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.7Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CD2 4.32Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CE2 4.49Å; E79-Y83 HydrophobicContact CG-CG 4.08Å; G80-Y83 WeakPolarHBondContact O-CB 3.46Å; G80-Y83 PolarHBondContact O-N 3.32Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.37Å; Y83-D85 PolarHBondContact O-N 3.34Å; Y83-G86 WeakPolarHBondContact O-CA 3.39Å; Y83-G86 PolarHBondContact O-N 2.93Å; Y83-G86 VanDerWaalsContact O-N 3.15Å; Y83-E87 HydrophobicContact CD1-CG 4.32Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 3.93Å; Y83-E87 HydrophobicContact CE2-CG 3.87Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.39Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.37Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.27Å; Y83-W191 AromaticContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CZ2 4.49Å; Y83-W191 AromaticContact CE2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CZ3 3.68Å; Y83-Y195 HydrophobicContact CE2-CE1 4.37Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 3.31Å
84W98.4Very high97.6Very high39 Ų3964.4 Ų64.415%0.14833%0.331CS..Hα-helixtrans-64.1-39.9-176.7-66.1112.3000113.1V58 M69 P71 I76 E79 G80 P81 T88V58-W84 HydrophobicContact CG1-CH2 4.12Å; V58-W84 HydrophobicContact CG1-CZ3 3.94Å; M69-W84 HydrophobicContact CB-CE3 4.34Å; M69-W84 HydrophobicContact CG-CE3 4.3Å; M69-W84 HydrophobicContact CG-CZ3 4.07Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.97Å; P71-W84 HydrophobicContact CB-CZ3 4.5Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.04Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.36Å; I76-W84 WeakPolarHBondContact O-CZ2 3.19Å; E79-W84 PolarHBondContact O-NE1 2.73Å; G80-W84 VanDerWaalsContact O-CD1 3.3Å; G80-W84 PolarHBondContact O-N 2.89Å; P81-W84 PolarHBondContact O-N 2.94Å; W84-T88 WeakPolarHBondContact O-CB 3.42Å; W84-T88 PolarHBondContact O-N 3.1Å; W84-T88 PolarHBondContact O-OG1 2.79Å
85D98.3Very high97.7Very high84 Ų8460.3 Ų60.345%0.44931%0.305SS..Hα-helixtrans-67.6-39.4174.5-76.7-20.7000111.4P81 Y83 R89P81-D85 WeakPolarHBondContact O-CB 3.32Å; P81-D85 PolarHBondContact O-N 3Å; Y83-D85 PolarHBondContact O-N 3.34Å; D85-R89 WeakPolarHBondContact O-CB 3.35Å; D85-R89 PolarHBondContact O-N 3.45Å
86G98.2Very high97.8Very high13 Ų1364.2 Ų64.213%0.13432%0.324CS..Hα-helixtrans-60.8-53.3174.300000112.5E82 Y83 R89 K90E82-G86 PolarHBondContact O-N 2.87Å; Y83-G86 WeakPolarHBondContact O-CA 3.39Å; Y83-G86 PolarHBondContact O-N 2.93Å; Y83-G86 VanDerWaalsContact O-N 3.15Å; G86-R89 PolarHBondContact O-N 2.83Å; G86-K90 WeakPolarHBondContact O-CG 3.31Å; G86-K90 PolarHBondContact O-N 3.14Å
87E98.1Very high97.8Very high20 Ų2067.2 Ų67.29%0.09334%0.342CS..Hα-helixtrans-64.6-40179-68.7-50.6112.700111.8M69 Y83 R89 K90 V91M69-E87 HydrophobicContact CB-CB 4.13Å; M69-E87 HydrophobicContact CG-CB 4.11Å; Y83-E87 HydrophobicContact CD1-CG 4.32Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 3.93Å; Y83-E87 HydrophobicContact CE2-CG 3.87Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.39Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 2.95Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 WeakPolarHBondContact OE1-CD 3.39Å; E87-K90 IonicContact OE1-NZ 3.15Å; E87-K90 PolarHBondContact OE1-NZ 3.28Å; E87-V91 WeakPolarHBondContact O-CB 3.39Å; E87-V91 WeakPolarHBondContact O-CG1 3.46Å; E87-V91 PolarHBondContact O-N 2.95Å
88T98.6Very high97.8Very high12 Ų1261.2 Ų61.27%0.07431%0.314CS..Hα-helixtrans-60.5-42173.6-64.40000111.7R68 M69 W84 V91 K92R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.1Å; M69-T88 PolarHBondContact N-OG1 2.88Å; W84-T88 WeakPolarHBondContact O-CB 3.42Å; W84-T88 PolarHBondContact O-N 3.1Å; W84-T88 PolarHBondContact O-OG1 2.79Å; T88-V91 WeakPolarHBondContact O-CG1 3.36Å; T88-K92 HydrophobicContact CG2-CD 4.25Å; T88-K92 WeakPolarHBondContact O-CB 3.27Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.23Å; T88-K92 PolarHBondContact O-N 3.22Å; T88-K92 VanDerWaalsContact O-N 3.1Å
89R98.4Very high97.9Very high175 Ų17560.1 Ų60.166%0.6630%0.304SS*.Hα-helixtrans-65.7-45.8177.5-169-174.5-57.9110.43.1111.4D85 G86 E87 K92 A93D85-R89 WeakPolarHBondContact O-CB 3.35Å; D85-R89 PolarHBondContact O-N 3.45Å; G86-R89 PolarHBondContact O-N 2.83Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 2.95Å; R89-K92 PolarHBondContact O-N 3.28Å; R89-A93 PolarHBondContact O-N 2.81Å
90K97.8Very high97.9Very high105 Ų10563.6 Ų63.646%0.45733%0.327SS..Hα-helixtrans-61.4-47.2178.8-69.9172.7-166164.80111.7G86 E87 K92 A93 H94G86-K90 WeakPolarHBondContact O-CG 3.31Å; G86-K90 PolarHBondContact O-N 3.14Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 WeakPolarHBondContact OE1-CD 3.39Å; E87-K90 IonicContact OE1-NZ 3.15Å; E87-K90 PolarHBondContact OE1-NZ 3.28Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.61Å; K90-A93 WeakPolarHBondContact O-CB 3.12Å; K90-A93 PolarHBondContact O-N 2.8Å; K90-H94 PolarHBondContact O-CD2 3.01Å; K90-H94 PolarHBondContact O-N 3.15Å
91V98.3Very high97.9Very high3 Ų364 Ų642%0.01832%0.32CS..Hα-helixtrans-67.8-34.7-178.376.30000112.1F46 A48 F60 M69 E87 T88 H94 S95F46-V91 HydrophobicContact CE1-CG2 3.7Å; F46-V91 HydrophobicContact CZ-CG2 4.49Å; A48-V91 HydrophobicContact CB-CG2 3.63Å; F60-V91 HydrophobicContact CB-CG1 4.14Å; F60-V91 HydrophobicContact CB-CG2 3.82Å; F60-V91 HydrophobicContact CD1-CG1 4.33Å; F60-V91 HydrophobicContact CD1-CG2 3.94Å; F60-V91 HydrophobicContact CD2-CG1 3.4Å; F60-V91 HydrophobicContact CD2-CG2 4.35Å; F60-V91 HydrophobicContact CE2-CG1 3.79Å; F60-V91 HydrophobicContact CG-CB 4.44Å; F60-V91 HydrophobicContact CG-CG1 3.71Å; F60-V91 HydrophobicContact CG-CG2 3.78Å; F60-V91 HydrophobicContact CZ-CG1 4.42Å; M69-V91 HydrophobicContact CE-CB 3.77Å; M69-V91 HydrophobicContact CE-CG1 4.02Å; M69-V91 HydrophobicContact CE-CG2 3.89Å; E87-V91 WeakPolarHBondContact O-CB 3.39Å; E87-V91 WeakPolarHBondContact O-CG1 3.46Å; E87-V91 PolarHBondContact O-N 2.95Å; T88-V91 WeakPolarHBondContact O-CG1 3.36Å; V91-H94 PolarHBondContact O-N 2.89Å; V91-S95 PolarHBondContact O-N 2.89Å
92K98.3Very high98Very high84 Ų8459.5 Ų59.537%0.36529%0.291SS..Hα-helixtrans-65.2-40.3171.3-76-176.2179.9-174.60112.3F60 Q67 T88 R89 K90 S95 Q96F60-K92 HydrophobicContact CE2-CG 4.24Å; F60-K92 HydrophobicContact CZ-CG 4.21Å; Q67-K92 WeakPolarHBondContact O-CE 3.43Å; Q67-K92 PolarHBondContact O-NZ 2.67Å; Q67-K92 VanDerWaalsContact O-NZ 3.12Å; T88-K92 HydrophobicContact CG2-CD 4.25Å; T88-K92 WeakPolarHBondContact O-CB 3.27Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.23Å; T88-K92 PolarHBondContact O-N 3.22Å; T88-K92 VanDerWaalsContact O-N 3.1Å; R89-K92 PolarHBondContact O-N 3.28Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.61Å; K92-S95 WeakPolarHBondContact O-CB 3.03Å; K92-S95 PolarHBondContact O-N 3.05Å; K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 2.96Å; K92-Q96 VanDerWaalsContact O-N 3.12Å
93A98.2Very high97.9Very high55 Ų5552.8 Ų52.846%0.45527%0.269SS..Hα-helixtrans-61.4-44.8173.700000111.2R89 K90 S95 Q96 T97R89-A93 PolarHBondContact O-N 2.81Å; K90-A93 WeakPolarHBondContact O-CB 3.12Å; K90-A93 PolarHBondContact O-N 2.8Å; A93-S95 VanDerWaalsContact C-N 3.35Å; A93-S95 PolarHBondContact O-N 2.86Å; A93-Q96 PolarHBondContact O-N 2.92Å; A93-Q96 VanDerWaalsContact O-N 3.17Å; A93-T97 PolarHBondContact O-N 3.03Å; A93-T97 PolarHBondContact O-OG1 2.69Å
94H97.8Very high97.8Very high50 Ų5054.3 Ų54.323%0.23128%0.281CS..Hα-helixtrans-62.5-38.3175-75-47.7000113.4F33 F46 K90 V91 Q96 T97 H98 R121F33-H94 HydrophobicContact CD2-CB 4.16Å; F33-H94 HydrophobicContact CE2-CB 3.89Å; F33-H94 AromaticContact CE2-CD2 3.49Å; F33-H94 VanDerWaalsContact CE2-CD2 3.49Å; F33-H94 WeakPolarHBondContact CE2-CD2 2.95Å; F33-H94 AromaticContact CE2-CG 3.65Å; F46-H94 HydrophobicContact CZ-CB 4.16Å; K90-H94 PolarHBondContact O-CD2 3.01Å; K90-H94 PolarHBondContact O-N 3.15Å; V91-H94 PolarHBondContact O-N 2.89Å; H94-Q96 VanDerWaalsContact C-N 3.3Å; H94-Q96 PolarHBondContact O-N 2.88Å; H94-T97 PolarHBondContact O-N 2.87Å; H94-H98 PolarHBondContact O-CD2 2.88Å; H94-H98 VanDerWaalsContact O-CD2 3.25Å; H94-H98 PolarHBondContact O-N 2.92Å; H94-R121 PolarHBondContact CE1-NH1 3.17Å; H94-R121 PolarHBondContact ND1-NH1 3.46Å
95S97.9Very high97.8Very high17 Ų1753 Ų5312%0.11928%0.276CS..Hα-helixtrans-58.6-41.9173.3175.90000111.9F46 V91 K92 A93 H98 R99F46-S95 WeakPolarHBondContact CB-OG 3.36Å; V91-S95 PolarHBondContact O-N 2.89Å; K92-S95 WeakPolarHBondContact O-CB 3.03Å; K92-S95 PolarHBondContact O-N 3.05Å; A93-S95 VanDerWaalsContact C-N 3.35Å; A93-S95 PolarHBondContact O-N 2.86Å; S95-H98 PolarHBondContact O-N 2.97Å; S95-R99 PolarHBondContact O-N 3.27Å; S95-R99 VanDerWaalsContact O-N 3.08Å
96Q97.8Very high97.7Very high96 Ų9652.3 Ų52.345%0.44927%0.268SS..Hα-helixtrans-68.5-40175.4-64.9-56.3-45.100112.6K92 A93 H94 R99 V100K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 2.96Å; K92-Q96 VanDerWaalsContact O-N 3.12Å; A93-Q96 PolarHBondContact O-N 2.92Å; A93-Q96 VanDerWaalsContact O-N 3.17Å; H94-Q96 VanDerWaalsContact C-N 3.3Å; H94-Q96 PolarHBondContact O-N 2.88Å; Q96-R99 WeakPolarHBondContact O-CB 3.48Å; Q96-R99 PolarHBondContact O-N 2.03Å; Q96-V100 PolarHBondContact O-N 2.94Å; Q96-V100 VanDerWaalsContact O-N 3.16Å
97T97.6Very high97.7Very high63 Ų6353.8 Ų53.839%0.38728%0.282SS..Hα-helixtrans-58.9-49.7173.5-550000111A93 H94 R99 V100 D101A93-T97 PolarHBondContact O-N 3.03Å; A93-T97 PolarHBondContact O-OG1 2.69Å; H94-T97 PolarHBondContact O-N 2.87Å; T97-R99 VanDerWaalsContact C-N 3.25Å; T97-R99 PolarHBondContact O-N 2.8Å; T97-V100 WeakPolarHBondContact O-CB 3.49Å; T97-V100 PolarHBondContact O-N 3.3Å; T97-D101 VanDerWaalsContact O-CG 3.22Å; T97-D101 PolarHBondContact O-N 2.84Å
98H97.8Very high97.6Very high0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-61.9-32.9179.2-83.2-126.1000112.7F46 H94 S95 D101 L102F46-H98 HydrophobicContact CD2-CB 4.04Å; F46-H98 HydrophobicContact CE2-CB 4.05Å; F46-H98 AromaticContact CE2-CD2 3.93Å; F46-H98 AromaticContact CE2-CG 3.67Å; F46-H98 AromaticContact CE2-ND1 3.8Å; H94-H98 PolarHBondContact O-CD2 2.88Å; H94-H98 VanDerWaalsContact O-CD2 3.25Å; H94-H98 PolarHBondContact O-N 2.92Å; S95-H98 PolarHBondContact O-N 2.97Å; H98-D101 PolarHBondContact O-N 3.31Å; H98-L102 WeakPolarHBondContact O-CG 3.39Å; H98-L102 PolarHBondContact O-N 3.38Å
99R97.4Very high97.6Very high101 Ų10158.4 Ų58.438%0.38130%0.299SS..Hα-helixtrans-61-46.3172.1178.8178.178.8157.95111.8E43 P44 S95 Q96 T97 D101 L102 G103E43-R99 VanDerWaalsContact CD-NH1 3.25Å; E43-R99 IonicContact OE1-NH1 3.12Å; E43-R99 PolarHBondContact OE1-NH1 3.34Å; E43-R99 WeakPolarHBondContact OE2-CD 3.43Å; E43-R99 IonicContact OE2-CZ 3.24Å; E43-R99 IonicContact OE2-NE 2.78Å; E43-R99 IonicContact OE2-NH1 3.71Å; E43-R99 PolarHBondContact OE2-NH1 3Å; P44-R99 HydrophobicContact CG-CG 4.21Å; S95-R99 PolarHBondContact O-N 3.27Å; S95-R99 VanDerWaalsContact O-N 3.08Å; Q96-R99 WeakPolarHBondContact O-CB 3.48Å; Q96-R99 PolarHBondContact O-N 2.03Å; T97-R99 VanDerWaalsContact C-N 3.25Å; T97-R99 PolarHBondContact O-N 2.8Å; R99-D101 VanDerWaalsContact C-N 3.34Å; R99-L102 PolarHBondContact O-N 2.85Å; R99-G103 PolarHBondContact O-N 3.24Å
100V97.4Very high97.5Very high87 Ų8757.4 Ų57.453%0.52731%0.306SS..Hα-helixtrans-66.2-39.9177.4175.70000110.7Q96 T97 L102 G103 T104Q96-V100 PolarHBondContact O-N 2.94Å; Q96-V100 VanDerWaalsContact O-N 3.16Å; T97-V100 WeakPolarHBondContact O-CB 3.49Å; T97-V100 PolarHBondContact O-N 3.3Å; V100-L102 PolarHBondContact O-N 2.98Å; V100-G103 PolarHBondContact O-N 3.02Å; V100-T104 WeakPolarHBondContact O-CB 3.38Å; V100-T104 PolarHBondContact O-N 2.88Å; V100-T104 PolarHBondContact O-OG1 2.62Å
101D97.6Very high97.4Very high41 Ų4155.3 Ų55.322%0.21930%0.298CS..Hα-helixtrans-61.6-43.9177.9-64.9-21.1000111.2T97 H98 R99 G103 T104 L105T97-D101 VanDerWaalsContact O-CG 3.22Å; T97-D101 PolarHBondContact O-N 2.84Å; H98-D101 PolarHBondContact O-N 3.31Å; R99-D101 VanDerWaalsContact C-N 3.34Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.32Å; D101-T104 PolarHBondContact O-N 2.76Å; D101-T104 VanDerWaalsContact O-N 3.17Å; D101-L105 HydrophobicContact CB-CD1 4.44Å; D101-L105 WeakPolarHBondContact O-CB 3.3Å; D101-L105 VanDerWaalsContact O-CG 3.22Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 3.17Å
102L97.8Very high97.2Very high8 Ų859 Ų594%0.04232%0.324CS..Hα-helixtrans-55.4-44.1175.5-81.5164.7000112.3S35 P44 H98 R99 V100 R106 H117 V119 Y142S35-L102 WeakPolarHBondContact OG-CD1 3.28Å; P44-L102 HydrophobicContact CB-CD1 3.59Å; P44-L102 HydrophobicContact CG-CD1 3.66Å; H98-L102 WeakPolarHBondContact O-CG 3.39Å; H98-L102 PolarHBondContact O-N 3.38Å; R99-L102 PolarHBondContact O-N 2.85Å; V100-L102 PolarHBondContact O-N 2.98Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.18Å; L102-R106 PolarHBondContact O-N 3.24Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 3.97Å; L102-H117 WeakPolarHBondContact CD2-O 3.38Å; L102-V119 HydrophobicContact CD2-CB 4.33Å; L102-V119 HydrophobicContact CD2-CG2 3.65Å; L102-V119 HydrophobicContact CG-CB 4.4Å; L102-V119 HydrophobicContact CG-CG2 3.82Å; L102-Y142 HydrophobicContact CD2-CE2 4.4Å
103G96Very high96.9Very high36 Ų3661.4 Ų61.437%0.37134%0.337SS..Hα-helixtrans-68.9-40.8176.900000112.9R99 V100 D101 G107R99-G103 PolarHBondContact O-N 3.24Å; V100-G103 PolarHBondContact O-N 3.02Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.32Å; G103-G107 PolarHBondContact O-N 2.8Å
104T97.2Very high96.6Very high52 Ų5262.9 Ų62.932%0.31935%0.349SS..Hα-helixtrans-65.6-47.9179.8-58.70000111.5V100 D101 G107 Y108V100-T104 WeakPolarHBondContact O-CB 3.38Å; V100-T104 PolarHBondContact O-N 2.88Å; V100-T104 PolarHBondContact O-OG1 2.62Å; D101-T104 PolarHBondContact O-N 2.76Å; D101-T104 VanDerWaalsContact O-N 3.17Å; T104-G107 WeakPolarHBondContact O-CA 3.37Å; T104-G107 PolarHBondContact O-N 3.18Å; T104-G107 VanDerWaalsContact O-N 3.17Å; T104-Y108 HydrophobicContact CG2-CD1 4.44Å; T104-Y108 HydrophobicContact CG2-CD2 4.36Å; T104-Y108 HydrophobicContact CG2-CE1 3.88Å; T104-Y108 HydrophobicContact CG2-CE2 3.79Å; T104-Y108 PolarHBondContact O-N 2.98Å
105L97.8Very high96.4Very high10 Ų1061.5 Ų61.55%0.05235%0.348CS..Hα-helixtrans-65.1-44.7-179.5-68.1167.9000111.1D101 G107 Y108 Y109 V119 Y142 Y147D101-L105 HydrophobicContact CB-CD1 4.44Å; D101-L105 WeakPolarHBondContact O-CB 3.3Å; D101-L105 VanDerWaalsContact O-CG 3.22Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 3.17Å; L105-G107 PolarHBondContact O-N 2.82Å; L105-Y108 HydrophobicContact CD2-CD2 4.4Å; L105-Y108 PolarHBondContact O-N 2.98Å; L105-Y109 HydrophobicContact CD2-CE2 4.31Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.43Å; L105-V119 HydrophobicContact CD1-CG2 3.51Å; L105-Y142 HydrophobicContact CB-CD1 4.28Å; L105-Y142 HydrophobicContact CB-CD2 4.07Å; L105-Y142 HydrophobicContact CB-CE1 3.98Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.31Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 4Å; L105-Y142 HydrophobicContact CD1-CG 3.97Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; L105-Y147 HydrophobicContact CD2-CD1 4.29Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.66Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å
106R96.8Very high96.3Very high71 Ų7164.3 Ų64.327%0.26837%0.368SS..Hα-helixtrans-52.6-41.8173-174.2-173.16817710.4111.6L102 N110 Q111 E113 Y142L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.18Å; L102-R106 PolarHBondContact O-N 3.24Å; L102-R106 VanDerWaalsContact O-N 3.16Å; R106-N110 PolarHBondContact O-N 2.94Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 2.83Å; R106-E113 IonicContact CZ-OE1 2.72Å; R106-E113 IonicContact NH1-OE1 3.57Å; R106-E113 PolarHBondContact NH1-OE1 3.33Å; R106-E113 IonicContact NH2-OE1 3.52Å; R106-E113 PolarHBondContact NH2-OE1 3.24Å; R106-Y142 PolarHBondContact N-OH 3.45Å
107G96.6Very high96.4Very high43 Ų4360.4 Ų60.444%0.44335%0.35SS..Hα-helixtrans-64.3-48.7174.600000113.2G103 T104 L105 Y109 N110G103-G107 PolarHBondContact O-N 2.8Å; T104-G107 WeakPolarHBondContact O-CA 3.37Å; T104-G107 PolarHBondContact O-N 3.18Å; T104-G107 VanDerWaalsContact O-N 3.17Å; L105-G107 PolarHBondContact O-N 2.82Å; G107-Y109 PolarHBondContact O-N 2.9Å; G107-N110 PolarHBondContact O-N 2.93Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 3.43Å
108Y97.4Very high96.4Very high64 Ų6459.1 Ų59.125%0.25134%0.342SS..Hα-helixtrans-60.4-34.3178.8-68.4-10.4000113.3T104 L105 T166 K170T104-Y108 HydrophobicContact CG2-CD1 4.44Å; T104-Y108 HydrophobicContact CG2-CD2 4.36Å; T104-Y108 HydrophobicContact CG2-CE1 3.88Å; T104-Y108 HydrophobicContact CG2-CE2 3.79Å; T104-Y108 PolarHBondContact O-N 2.98Å; L105-Y108 HydrophobicContact CD2-CD2 4.4Å; L105-Y108 PolarHBondContact O-N 2.98Å; Y108-T166 HydrophobicContact CE1-CG2 4.11Å; Y108-T166 HydrophobicContact CE2-CG2 4.04Å; Y108-K170 PolarHBondContact OH-NZ 3.36Å
109Y97.3Very high96.4Very high66 Ų6659.2 Ų59.226%0.25934%0.342SS..THydrogen-bonded Turntrans-91.64178.7-69.4-73.8000113.9L105 G107 Q111 Y142 Y147 D161 A163L105-Y109 HydrophobicContact CD2-CE2 4.31Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.43Å; G107-Y109 PolarHBondContact O-N 2.9Å; Y109-Q111 PolarHBondContact O-N 2.85Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.39Å; Y109-D161 VanDerWaalsContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.48Å; Y109-A163 HydrophobicContact CD1-CB 4.11Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.92Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110N96.3Very high96.5Very high153 Ų15358 Ų5882%0.81834%0.341SS*.THydrogen-bonded Turntrans51.739.7-177.7-58.7-55.3000113.4R106 G107R106-N110 PolarHBondContact O-N 2.94Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 2.93Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 3.43Å
111Q96.6Very high96.6Very high62 Ų6254.8 Ų54.829%0.2932%0.319SS..  trans-89.2151.3-176.3-70.5166.3-34.600112R106 Y109 H117 Y142 D143R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 2.83Å; Y109-Q111 PolarHBondContact O-N 2.85Å; Q111-H117 PolarHBondContact NE2-CE1 3.12Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-H117 PolarHBondContact OE1-ND1 3.31Å; Q111-Y142 PolarHBondContact OE1-OH 3.19Å; Q111-D143 PolarHBondContact NE2-OD2 3.23Å
112S94.5Very high96.6Very high80 Ų8053.8 Ų53.856%0.55931%0.314SS*.  trans-70.8151.6-178.573.40000112.9A114 G115S112-A114 PolarHBondContact O-N 2.96Å; S112-G115 PolarHBondContact O-N 2.89Å
113E91.2Very high96.6Very high134 Ų13454.3 Ų54.363%0.62632%0.315SS*.THydrogen-bonded Turntrans-68.9-20.4176.9-54.2-154.4125.500114.4P39 R106 G115P39-E113 WeakPolarHBondContact CB-O 3.27Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; R106-E113 IonicContact CZ-OE1 2.72Å; R106-E113 IonicContact NH1-OE1 3.57Å; R106-E113 PolarHBondContact NH1-OE1 3.33Å; R106-E113 IonicContact NH2-OE1 3.52Å; R106-E113 PolarHBondContact NH2-OE1 3.24Å; E113-G115 PolarHBondContact O-N 3.13Å
114A92.1Very high96.8Very high87 Ų8752.6 Ų52.672%0.71930%0.297SS*.THydrogen-bonded Turntrans-75-15.7178.900000113S112S112-A114 PolarHBondContact O-N 2.96Å
115G93.1Very high96.8Very high21 Ų2150.1 Ų50.122%0.21628%0.282CS..SBendtrans-76134.8-179.400000112.8P39 S112 E113 H117P39-G115 WeakPolarHBondContact CG-O 3.49Å; S112-G115 PolarHBondContact O-N 2.89Å; E113-G115 PolarHBondContact O-N 3.13Å; G115-H117 PolarHBondContact O-CD2 2.71Å
116S97.1Very high96.8Very high75 Ų7550.5 Ų50.552%0.52428%0.284SS..  trans-81.3131.3165.4-1770000108.8S37S37-S116 PolarHBondContact O-OG 2.82Å
117H98.2Very high96.8Very high15 Ų1547.1 Ų47.17%0.06927%0.271CS..  trans-129.2153.7-176.5-64.5-73.2000110.6V36 S37 L102 Q111 G115 Y142 D143V36-H117 WeakPolarHBondContact CA-O 3.41Å; S37-H117 PolarHBondContact N-O 2.85Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 3.41Å; L102-H117 HydrophobicContact CD2-CB 3.97Å; L102-H117 WeakPolarHBondContact CD2-O 3.38Å; Q111-H117 PolarHBondContact NE2-CE1 3.12Å; Q111-H117 PolarHBondContact OE1-CE1 2.94Å; Q111-H117 PolarHBondContact OE1-ND1 3.31Å; G115-H117 PolarHBondContact O-CD2 2.71Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.45Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.06Å; H117-D143 IonicContact CG-OD1 3.77Å; H117-D143 IonicContact CG-OD2 3.79Å; H117-D143 IonicContact ND1-OD1 3.77Å; H117-D143 IonicContact ND1-OD2 3.23Å; H117-D143 PolarHBondContact ND1-OD2 3.2Å
118T98.6Very high96.7Very high36 Ų3645.3 Ų45.322%0.22125%0.253CS..EExtended strand (participates in β ladder)trans-126.3128.1-176.6-53.60000110.9T34 S35 V36 Q120 Y142 D143T34-T118 HydrophobicContact CG2-CG2 3.92Å; S35-T118 CarbonylContact O-C 3.54Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.31Å; V36-T118 HydrophobicContact CG2-CG2 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.18Å; T118-Y142 VanDerWaalsContact O-CD2 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; T118-D143 PolarHBondContact N-OD1 3.11Å; T118-D143 PolarHBondContact O-N 3.29Å
119V98.6Very high96.3Very high1 Ų146.3 Ų46.31%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-111.4124.7168.1173.90000108.6S35 L102 L105 Y140 Y142S35-V119 PolarHBondContact N-O 3.22Å; S35-V119 PolarHBondContact O-N 3.45Å; L102-V119 HydrophobicContact CD2-CB 4.33Å; L102-V119 HydrophobicContact CD2-CG2 3.65Å; L102-V119 HydrophobicContact CG-CB 4.4Å; L102-V119 HydrophobicContact CG-CG2 3.82Å; L105-V119 HydrophobicContact CD1-CG2 3.51Å; V119-Y140 HydrophobicContact CG1-CD1 4.04Å; V119-Y140 HydrophobicContact CG1-CE1 4.36Å; V119-Y142 HydrophobicContact CG2-CD2 3.67Å; V119-Y142 HydrophobicContact CG2-CE2 4.01Å
120Q98.8Very high95.9Very high75 Ų7547.2 Ų47.235%0.3528%0.279SS..EExtended strand (participates in β ladder)trans-116.7145.1175.3-61.9174.8-84.400109.9F33 T34 T118 Y140 A141F33-Q120 CarbonylContact O-C 3.49Å; F33-Q120 VanDerWaalsContact O-CA 3.27Å; F33-Q120 WeakPolarHBondContact O-CA 3.33Å; T34-Q120 HydrophobicContact CG2-CG 4.04Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-Y140 CarbonylContact O-C 3.55Å; Q120-Y140 VanDerWaalsContact O-CA 3.23Å; Q120-Y140 WeakPolarHBondContact O-CA 3.47Å; Q120-A141 HydrophobicContact CB-CB 4.32Å; Q120-A141 PolarHBondContact N-O 3.27Å; Q120-A141 PolarHBondContact O-N 3.2Å
121R98.5Very high95.5Very high21 Ų2143.9 Ų43.98%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-134.7134.2173.2-179.1-169.3-179.4-163.3-12.4109.3F32 F33 H94 Y123 H138 Q139 Y140F32-R121 WeakPolarHBondContact CA-O 3.32Å; F33-R121 HydrophobicContact CB-CB 4.34Å; F33-R121 PolarHBondContact N-O 2.72Å; F33-R121 PolarHBondContact O-N 3.28Å; H94-R121 PolarHBondContact CE1-NH1 3.17Å; H94-R121 PolarHBondContact ND1-NH1 3.46Å; R121-Y123 HydrophobicContact CG-CD1 4.32Å; R121-H138 PolarHBondContact NE-NE2 3.01Å; R121-H138 PolarHBondContact NH2-CD2 3.22Å; R121-H138 VanDerWaalsContact NH2-CD2 3.32Å; R121-H138 PolarHBondContact NH2-NE2 3.25Å; R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.08Å; R121-Y140 HydrophobicContact CB-CD1 4.13Å; R121-Y140 HydrophobicContact CB-CD2 4.44Å; R121-Y140 HydrophobicContact CB-CE1 4Å; R121-Y140 HydrophobicContact CB-CE2 4.27Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-CZ 3.45Å; R121-Y140 WeakPolarHBondContact CD-OH 3.34Å; R121-Y140 HydrophobicContact CG-CD1 4.47Å; R121-Y140 HydrophobicContact CG-CD2 3.98Å; R121-Y140 HydrophobicContact CG-CE1 4.17Å; R121-Y140 HydrophobicContact CG-CE2 3.58Å; R121-Y140 HydrophobicContact CG-CG 4.41Å
122M98.6Very high95.4Very high20 Ų2049 Ų4910%0.09927%0.272CS..EExtended strand (participates in β ladder)trans-121.2132.9166.5-173.3-79.5-72.200109Y31 F32 Y137 H138 Q139Y31-M122 WeakPolarHBondContact O-CA 3.26Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.13Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.39Å; F32-M122 HydrophobicContact CZ-CG 3.94Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.11Å; M122-H138 WeakPolarHBondContact O-CA 3.4Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 VanDerWaalsContact CE-CD 3.48Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 3.11Å; M122-Q139 PolarHBondContact O-N 3.21Å
123Y98.6Very high95.5Very high18 Ų1848 Ų487%0.07126%0.257CS..EExtended strand (participates in β ladder)trans-146.9158.3169.770.6-84.3000111.1Y31 F33 R121 Y137 Y183Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.72Å; Y31-Y123 HydrophobicContact CE2-CE2 4.38Å; Y31-Y123 HydrophobicContact CG-CE1 4.27Å; Y31-Y123 HydrophobicContact CG-CE2 4.15Å; Y31-Y123 AromaticContact CG-CZ 3.75Å; Y31-Y123 PolarHBondContact N-O 3.47Å; Y31-Y123 PolarHBondContact O-N 2.89Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; F33-Y123 HydrophobicContact CD2-CE1 4.25Å; F33-Y123 HydrophobicContact CE1-CE1 4.19Å; F33-Y123 AromaticContact CE2-CE1 3.58Å; F33-Y123 HydrophobicContact CE2-CE1 3.58Å; F33-Y123 AromaticContact CZ-CE1 3.55Å; F33-Y123 HydrophobicContact CZ-CE1 3.55Å; F33-Y123 AromaticContact CZ-CZ 3.91Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.47Å; R121-Y123 HydrophobicContact CG-CD1 4.32Å; Y123-Y137 WeakPolarHBondContact CA-O 3.34Å; Y123-Y137 VanDerWaalsContact CB-O 3.29Å; Y123-Y137 WeakPolarHBondContact CB-O 3.48Å; Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.83Å; Y123-Y183 HydrophobicContact CE2-CE1 3.83Å
124G98.5Very high95.7Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans161.3-177.6-179.100000113.5M29 G136 Y137 L184M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; G124-G136 CarbonylContact O-C 3.53Å; G124-G136 WeakPolarHBondContact O-CA 3.46Å; G124-Y137 PolarHBondContact N-O 3.17Å; G124-Y137 PolarHBondContact O-N 3.21Å; G124-L184 WeakPolarHBondContact O-CD2 3.39Å
125C98.5Very high96Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-136.4153.4-17654.80000111S28 M29 F133 R135 C188 V189S28-C125 WeakPolarHBondContact CA-O 3.31Å; M29-C125 PolarHBondContact N-O 3.3Å; M29-C125 PolarHBondContact O-N 2.92Å; C125-F133 HydrophobicContact CB-CD2 4.44Å; C125-F133 HydrophobicContact CB-CE2 4.18Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 VanDerWaalsContact CA-O 3.29Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 3.21Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.76Å; C125-V189 HydrophobicContact CB-CG2 4.47Å
126D97.9Very high96.2Very high18 Ų1846.3 Ų46.310%0.09623%0.229CC..EExtended strand (participates in β ladder)trans-114.7142.4173.5-58.3-10.9000109.1H27 S28 R30 L134 R135 Y137H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.28Å; R30-D126 IonicContact CZ-OD1 2.72Å; R30-D126 IonicContact NE-OD1 3.42Å; R30-D126 PolarHBondContact NE-OD1 2.89Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 3.01Å; R30-D126 PolarHBondContact NH2-OD1 3.34Å; R30-D126 IonicContact NH2-OD2 3.55Å; R30-D126 PolarHBondContact NH2-OD2 2.87Å; D126-L134 HydrophobicContact CB-CB 4.36Å; D126-L134 PolarHBondContact O-N 3.22Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 3.27Å; D126-R135 PolarHBondContact O-N 3.15Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.31Å; D126-Y137 PolarHBondContact OD2-OH 3.15Å
127V96.5Very high96.2Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-122.1146.9172.6-62.60000110.5S26 H27 R132 V189 L192S26-V127 WeakPolarHBondContact CA-O 3.46Å; S26-V127 WeakPolarHBondContact CB-O 3.37Å; H27-V127 HydrophobicContact CB-CG2 3.93Å; H27-V127 PolarHBondContact N-O 2.9Å; H27-V127 PolarHBondContact O-N 3.32Å; V127-R132 CarbonylContact C-O 3.57Å; V127-R132 WeakPolarHBondContact CA-O 3.44Å; V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 3.84Å; V127-V189 HydrophobicContact CG1-CG2 4.04Å; V127-L192 HydrophobicContact CB-CD2 4.42Å; V127-L192 HydrophobicContact CG1-CD2 3.99Å; V127-L192 HydrophobicContact CG2-CD2 3.73Å; V127-L192 HydrophobicContact CG2-CG 4.28Å
128G93.4Very high96.2Very high6 Ų644.2 Ų44.26%0.06221%0.209CC..  trans-79.4179.6175.800000111.8D130 W131 R132 L134G128-D130 PolarHBondContact O-N 3.13Å; G128-W131 WeakPolarHBondContact O-CA 3.28Å; G128-W131 PolarHBondContact O-N 3.17Å; G128-R132 PolarHBondContact N-O 2.71Å; G128-L134 VanDerWaalsContact N-CD1 3.3Å; G128-L134 VanDerWaalsContact N-CG 3.31Å
129S88.9Confident96.2Very high85 Ų8546 Ų4659%0.59422%0.215SC*.THydrogen-bonded Turntrans-63.8-18.3174.153.90000114G25 W131G25-S129 WeakPolarHBondContact O-CA 3.35Å; G25-S129 PolarHBondContact O-N 3.43Å; S129-W131 VanDerWaalsContact C-N 3.27Å
130D89.1Confident96.2Very high85 Ų8547 Ų4746%0.45522%0.219SC..THydrogen-bonded Turntrans-89.29.6170.472.9-17000113.3G128 R132G128-D130 PolarHBondContact O-N 3.13Å; D130-R132 PolarHBondContact O-N 2.97Å; D130-R132 VanDerWaalsContact O-N 3.15Å; D130-R132 WeakPolarHBondContact OD1-CB 3.03Å; D130-R132 PolarHBondContact OD1-N 3.23Å; D130-R132 VanDerWaalsContact OD1-N 3.09Å; D130-R132 WeakPolarHBondContact OD2-CD 3.29Å; D130-R132 VanDerWaalsContact OD2-CG 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-NE 2.77Å; D130-R132 PolarHBondContact OD2-NE 2.92Å
131W88.4Confident96.2Very high83 Ų8344.3 Ų44.331%0.31421%0.209SC..SBendtrans64.48.6-179-52.987.5000114.7G128 S129 R193 L196G128-W131 WeakPolarHBondContact O-CA 3.28Å; G128-W131 PolarHBondContact O-N 3.17Å; S129-W131 VanDerWaalsContact C-N 3.27Å; W131-R193 HydrophobicContact CE3-CG 4.07Å; W131-R193 VanDerWaalsContact O-CZ 3.28Å; W131-R193 PolarHBondContact O-NE 2.9Å; W131-R193 PolarHBondContact O-NH2 2.76Å; W131-L196 HydrophobicContact CE3-CD1 4.18Å; W131-L196 HydrophobicContact CH2-CB 3.94Å; W131-L196 HydrophobicContact CH2-CD1 4.07Å; W131-L196 HydrophobicContact CH2-CG 4.5Å; W131-L196 HydrophobicContact CZ3-CB 3.63Å; W131-L196 HydrophobicContact CZ3-CD1 3.33Å; W131-L196 HydrophobicContact CZ3-CG 4.05Å
132R94Very high96.2Very high170 Ų17043.8 Ų43.864%0.64221%0.207SC*.  trans-83.4150179.5-62.8-171.7-174.8178.1-2.3110.8V127 G128 D130 L134V127-R132 CarbonylContact C-O 3.57Å; V127-R132 WeakPolarHBondContact CA-O 3.44Å; G128-R132 PolarHBondContact N-O 2.71Å; D130-R132 PolarHBondContact O-N 2.97Å; D130-R132 VanDerWaalsContact O-N 3.15Å; D130-R132 WeakPolarHBondContact OD1-CB 3.03Å; D130-R132 PolarHBondContact OD1-N 3.23Å; D130-R132 VanDerWaalsContact OD1-N 3.09Å; D130-R132 WeakPolarHBondContact OD2-CD 3.29Å; D130-R132 VanDerWaalsContact OD2-CG 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-NE 2.77Å; D130-R132 PolarHBondContact OD2-NE 2.92Å; R132-L134 PolarHBondContact O-N 2.91Å
133F96.9Very high96.2Very high59 Ų5945.7 Ų45.726%0.25922%0.218SC..EExtended strand (participates in β ladder)trans-53.4127173.2178.3-98.3000110.6C125 R135 G136 L154 L184 E185 V189C125-F133 HydrophobicContact CB-CD2 4.44Å; C125-F133 HydrophobicContact CB-CE2 4.18Å; F133-R135 VanDerWaalsContact CE2-C 3.42Å; F133-R135 VanDerWaalsContact CE2-O 3.27Å; F133-R135 WeakPolarHBondContact CE2-O 3.46Å; F133-G136 VanDerWaalsContact CZ-N 3.31Å; F133-L154 HydrophobicContact CE1-CD1 4.01Å; F133-L154 HydrophobicContact CZ-CD1 3.68Å; F133-L184 WeakPolarHBondContact CE2-O 3.48Å; F133-E185 HydrophobicContact CD1-CG 4.1Å; F133-E185 HydrophobicContact CD2-CG 4.49Å; F133-E185 HydrophobicContact CE1-CG 3.99Å; F133-E185 HydrophobicContact CE2-CG 4.39Å; F133-E185 HydrophobicContact CG-CG 4.36Å; F133-E185 HydrophobicContact CZ-CG 4.15Å; F133-V189 HydrophobicContact CB-CG2 4.06Å; F133-V189 HydrophobicContact CD2-CG2 3.73Å; F133-V189 HydrophobicContact CG-CG2 4.39Å
134L96.3Very high96.1Very high105 Ų10547.8 Ų47.855%0.5525%0.245SC..EExtended strand (participates in β ladder)trans-107.4-50174-69.4-178.6000111.7D126 G128 R132D126-L134 HydrophobicContact CB-CB 4.36Å; D126-L134 PolarHBondContact O-N 3.22Å; G128-L134 VanDerWaalsContact N-CD1 3.3Å; G128-L134 VanDerWaalsContact N-CG 3.31Å; R132-L134 PolarHBondContact O-N 2.91Å
135R96.7Very high96.1Very high96 Ų9655.4 Ų55.436%0.36228%0.278SS..EExtended strand (participates in β ladder)trans-154.3149-170.9-171.8164.1168.4148.69.2111.5C125 D126 F133 Y137 E152C125-R135 CarbonylContact C-O 3.55Å; C125-R135 VanDerWaalsContact CA-O 3.29Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 3.27Å; D126-R135 PolarHBondContact O-N 3.15Å; F133-R135 VanDerWaalsContact CE2-C 3.42Å; F133-R135 VanDerWaalsContact CE2-O 3.27Å; F133-R135 WeakPolarHBondContact CE2-O 3.46Å; R135-Y137 HydrophobicContact CB-CE2 4.17Å; R135-Y137 WeakPolarHBondContact CD-OH 3.5Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.8Å; R135-Y137 PolarHBondContact NE-OH 2.78Å; R135-E152 IonicContact CZ-OE1 3.39Å; R135-E152 IonicContact NH1-OE1 3.09Å; R135-E152 PolarHBondContact NH1-OE1 2.89Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å
136G97.6Very high96.1Very high5 Ų561.3 Ų61.35%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-126.9149.7177.300000110.4G124 F133G124-G136 CarbonylContact O-C 3.53Å; G124-G136 WeakPolarHBondContact O-CA 3.46Å; F133-G136 VanDerWaalsContact CZ-N 3.31Å
137Y97.9Very high96.1Very high37 Ų3760.9 Ų60.915%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-132.6140.1-177.6-52.5-97.6000109.6R30 M122 Y123 G124 D126 R135R30-Y137 VanDerWaalsContact CZ-CE2 3.43Å; R30-Y137 PolarHBondContact NH2-OH 2.88Å; M122-Y137 HydrophobicContact CE-CD1 4.16Å; M122-Y137 HydrophobicContact CE-CG 4.11Å; Y123-Y137 WeakPolarHBondContact CA-O 3.34Å; Y123-Y137 VanDerWaalsContact CB-O 3.29Å; Y123-Y137 WeakPolarHBondContact CB-O 3.48Å; G124-Y137 PolarHBondContact N-O 3.17Å; G124-Y137 PolarHBondContact O-N 3.21Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.45Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.31Å; D126-Y137 PolarHBondContact OD2-OH 3.15Å; R135-Y137 HydrophobicContact CB-CE2 4.17Å; R135-Y137 WeakPolarHBondContact CD-OH 3.5Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.8Å; R135-Y137 PolarHBondContact NE-OH 2.78Å
138H98.4Very high96.2Very high8 Ų861 Ų614%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-157.1111166.7-172.2-85.2000108.3R121 M122 Y140 A149 L150 W171 L180R121-H138 PolarHBondContact NE-NE2 3.01Å; R121-H138 PolarHBondContact NH2-CD2 3.22Å; R121-H138 VanDerWaalsContact NH2-CD2 3.32Å; R121-H138 PolarHBondContact NH2-NE2 3.25Å; M122-H138 WeakPolarHBondContact O-CA 3.4Å; H138-Y140 AromaticContact CE1-CE2 3.44Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.44Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.37Å; H138-A149 WeakPolarHBondContact O-CA 3.42Å; H138-L150 HydrophobicContact CB-CB 4.03Å; H138-L150 HydrophobicContact CB-CD2 4.25Å; H138-L150 PolarHBondContact O-N 2.92Å; H138-W171 AromaticContact CE1-CH2 3.59Å; H138-W171 AromaticContact CE1-CZ3 3.73Å; H138-W171 AromaticContact ND1-CZ3 3.93Å; H138-L180 HydrophobicContact CB-CD1 4.17Å; H138-L180 VanDerWaalsContact CD2-CD2 3.45Å; H138-L180 WeakPolarHBondContact CD2-CD2 3.29Å; H138-L180 VanDerWaalsContact NE2-CD2 3.34Å; H138-L180 WeakPolarHBondContact NE2-CD2 3.41Å
139Q98.4Very high96.5Very high74 Ų7462.3 Ų62.335%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-145.1145.6-174.763.3-165.460.600111.1R121 M122 I148 A149R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.31Å; R121-Q139 WeakPolarHBondContact CA-O 3.08Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 VanDerWaalsContact CE-CD 3.48Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 3.11Å; M122-Q139 PolarHBondContact O-N 3.21Å; Q139-I148 WeakPolarHBondContact CA-O 3.45Å; Q139-A149 HydrophobicContact CB-CB 3.86Å
140Y98.5Very high96.9Very high23 Ų2359 Ų599%0.0929%0.293CS..EExtended strand (participates in β ladder)trans-118.5145.3175.4-79.3-109.9000110.2V119 Q120 R121 H138 Y147 I148 W171V119-Y140 HydrophobicContact CG1-CD1 4.04Å; V119-Y140 HydrophobicContact CG1-CE1 4.36Å; Q120-Y140 CarbonylContact O-C 3.55Å; Q120-Y140 VanDerWaalsContact O-CA 3.23Å; Q120-Y140 WeakPolarHBondContact O-CA 3.47Å; R121-Y140 HydrophobicContact CB-CD1 4.13Å; R121-Y140 HydrophobicContact CB-CD2 4.44Å; R121-Y140 HydrophobicContact CB-CE1 4Å; R121-Y140 HydrophobicContact CB-CE2 4.27Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-CZ 3.45Å; R121-Y140 WeakPolarHBondContact CD-OH 3.34Å; R121-Y140 HydrophobicContact CG-CD1 4.47Å; R121-Y140 HydrophobicContact CG-CD2 3.98Å; R121-Y140 HydrophobicContact CG-CE1 4.17Å; R121-Y140 HydrophobicContact CG-CE2 3.58Å; R121-Y140 HydrophobicContact CG-CG 4.41Å; H138-Y140 AromaticContact CE1-CE2 3.44Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.44Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.37Å; Y140-Y147 WeakPolarHBondContact O-CB 3.17Å; Y140-Y147 PolarHBondContact O-N 2.8Å; Y140-I148 HydrophobicContact CD2-CG2 4.42Å; Y140-I148 PolarHBondContact N-O 3.17Å; Y140-I148 PolarHBondContact O-N 2.86Å; Y140-W171 AromaticContact CD2-CH2 3.94Å; Y140-W171 HydrophobicContact CD2-CH2 3.94Å; Y140-W171 AromaticContact CE2-CH2 3.67Å; Y140-W171 HydrophobicContact CE2-CH2 3.67Å; Y140-W171 HydrophobicContact CE2-CZ2 4.31Å
141A98.7Very high97.4Very high17 Ų1759.4 Ų59.414%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-126.3147.6168.800000110.1Q120 K145Q120-A141 HydrophobicContact CB-CB 4.32Å; Q120-A141 PolarHBondContact N-O 3.27Å; Q120-A141 PolarHBondContact O-N 3.2Å; A141-K145 CarbonylContact C-O 3.58Å; A141-K145 WeakPolarHBondContact CA-O 3.18Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å
142Y98.6Very high97.7Very high10 Ų1061.9 Ų61.94%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-126.9127.6176.6-174.2-121.4000110L102 L105 R106 Y109 Q111 H117 T118 V119 G144 K145L102-Y142 HydrophobicContact CD2-CE2 4.4Å; L105-Y142 HydrophobicContact CB-CD1 4.28Å; L105-Y142 HydrophobicContact CB-CD2 4.07Å; L105-Y142 HydrophobicContact CB-CE1 3.98Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.31Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 4Å; L105-Y142 HydrophobicContact CD1-CG 3.97Å; L105-Y142 HydrophobicContact CG-CD2 4.42Å; R106-Y142 PolarHBondContact N-OH 3.45Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.19Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.45Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.91Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.18Å; T118-Y142 VanDerWaalsContact O-CD2 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; V119-Y142 HydrophobicContact CG2-CD2 3.67Å; V119-Y142 HydrophobicContact CG2-CE2 4.01Å; Y142-G144 PolarHBondContact O-N 3.42Å; Y142-G144 VanDerWaalsContact O-N 3.17Å; Y142-K145 PolarHBondContact N-O 2.87Å; Y142-K145 PolarHBondContact O-N 3.29Å
143D98.1Very high97.8Very high61 Ų6157.6 Ų57.633%0.32630%0.295SS..THydrogen-bonded Turntrans49.140.2-175.7-66.6-20.3000113.3Q111 H117 T118 K145Q111-D143 PolarHBondContact NE2-OD2 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.06Å; H117-D143 IonicContact CG-OD1 3.77Å; H117-D143 IonicContact CG-OD2 3.79Å; H117-D143 IonicContact ND1-OD1 3.77Å; H117-D143 IonicContact ND1-OD2 3.23Å; H117-D143 PolarHBondContact ND1-OD2 3.2Å; T118-D143 PolarHBondContact N-OD1 3.11Å; T118-D143 PolarHBondContact O-N 3.29Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.43Å
144G97.1Very high97.8Very high61 Ų6155 Ų5563%0.62928%0.284SS*.THydrogen-bonded Turntrans77.57.2178.300000115.3Y142Y142-G144 PolarHBondContact O-N 3.42Å; Y142-G144 VanDerWaalsContact O-N 3.17Å
145K98.3Very high97.8Very high160 Ų16058.2 Ų58.270%0.69629%0.289SS*.EExtended strand (participates in β ladder)trans-113.9145.4177.1-62179.1-177.41770110.8A141 Y142 D143 Y147A141-K145 CarbonylContact C-O 3.58Å; A141-K145 WeakPolarHBondContact CA-O 3.18Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.42Å; Y142-K145 PolarHBondContact N-O 2.87Å; Y142-K145 PolarHBondContact O-N 3.29Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.43Å; K145-Y147 PolarHBondContact O-N 2.83Å
146D98.5Very high97.8Very high124 Ų12455 Ų5566%0.66328%0.282SS*.EExtended strand (participates in β ladder)trans-53.6138.7173.5-69.3-26.9000110.8A160D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.42Å
147Y98.6Very high97.8Very high9 Ų954.9 Ų54.94%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-118-66.5-179.8-179.9-111.3000111.1L105 Y109 Y140 K145 A160 A163 A164 T167L105-Y147 HydrophobicContact CD2-CD1 4.29Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.66Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.29Å; Y140-Y147 WeakPolarHBondContact O-CB 3.17Å; Y140-Y147 PolarHBondContact O-N 2.8Å; K145-Y147 PolarHBondContact O-N 2.83Å; Y147-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 PolarHBondContact O-N 2.95Å; Y147-A163 PolarHBondContact OH-O 3.48Å; Y147-A164 HydrophobicContact CD2-CB 3.74Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.57Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.36Å; Y147-T167 HydrophobicContact CE1-CG2 4.13Å; Y147-T167 WeakPolarHBondContact OH-CB 3.48Å; Y147-T167 PolarHBondContact OH-OG1 2.79Å
148I98.6Very high97.8Very high4 Ų456.5 Ų56.52%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-144.2140.2177.5-163.6173.4000110.3Q139 Y140 L157 T158 T167 K168 W171Q139-I148 WeakPolarHBondContact CA-O 3.45Å; Y140-I148 HydrophobicContact CD2-CG2 4.42Å; Y140-I148 PolarHBondContact N-O 3.17Å; Y140-I148 PolarHBondContact O-N 2.86Å; I148-L157 HydrophobicContact CD1-CB 4.37Å; I148-L157 HydrophobicContact CD1-CD1 4.26Å; I148-L157 HydrophobicContact CG1-CB 4.45Å; I148-T158 CarbonylContact C-O 3.57Å; I148-T158 VanDerWaalsContact CA-O 3.31Å; I148-T158 WeakPolarHBondContact CA-O 3.3Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; I148-K168 HydrophobicContact CD1-CB 3.86Å; I148-W171 HydrophobicContact CD1-CE3 4.23Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 4.21Å
149A98.6Very high97.8Very high32 Ų3256.9 Ų56.926%0.26430%0.298SS..EExtended strand (participates in β ladder)trans-139.4140.4-179.600000112H138 Q139 L157 T158H138-A149 WeakPolarHBondContact O-CA 3.42Å; Q139-A149 HydrophobicContact CB-CB 3.86Å; A149-L157 WeakPolarHBondContact O-CA 3.24Å; A149-T158 PolarHBondContact N-O 2.85Å; A149-T158 PolarHBondContact O-N 2.83Å
150L98.5Very high97.8Very high15 Ų1556.1 Ų56.18%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-72.4129.1167.8-172.365.9000109.3H138 L154 L157 A177 L180 L184H138-L150 HydrophobicContact CB-CB 4.03Å; H138-L150 HydrophobicContact CB-CD2 4.25Å; H138-L150 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD2-CB 4.38Å; L150-L154 HydrophobicContact CD2-CD2 3.66Å; L150-L154 HydrophobicContact CG-CD2 4.2Å; L150-L157 HydrophobicContact CB-CD2 4.36Å; L150-L157 HydrophobicContact CD1-CD2 4.01Å; L150-A177 HydrophobicContact CD1-CB 3.98Å; L150-L180 HydrophobicContact CD2-CB 4.18Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.83Å
151K97.9Very high97.8Very high94 Ų9457.9 Ų57.941%0.40932%0.315SS..  trans-74166.9176.7-63-160.1-155.5163.90111.4D153 L154 S156 T158K151-D153 PolarHBondContact O-N 3.45Å; K151-D153 VanDerWaalsContact O-N 3.13Å; K151-L154 PolarHBondContact O-N 2.87Å; K151-S156 WeakPolarHBondContact CB-O 3.33Å; K151-S156 WeakPolarHBondContact CD-OG 3.36Å; K151-S156 WeakPolarHBondContact CE-OG 3.49Å; K151-S156 WeakPolarHBondContact CG-O 3.4Å; K151-S156 PolarHBondContact N-O 2.9Å; K151-T158 WeakPolarHBondContact CE-OG1 3.45Å; K151-T158 WeakPolarHBondContact CG-OG1 2.88Å
152E96.1Very high97.7Very high135 Ų13564.4 Ų64.463%0.63135%0.345SS*.THydrogen-bonded Turntrans-58.4-25.3179-64.6-178.9-17900113.6R135 L154R135-E152 IonicContact CZ-OE1 3.39Å; R135-E152 IonicContact NH1-OE1 3.09Å; R135-E152 PolarHBondContact NH1-OE1 2.89Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å; E152-L154 PolarHBondContact O-N 2.83Å
153D96.3Very high97.6Very high81 Ų8164.5 Ų64.543%0.43335%0.348SS..THydrogen-bonded Turntrans-71.3-8.5175.367.610.2000114K151 R155 S156K151-D153 PolarHBondContact O-N 3.45Å; K151-D153 VanDerWaalsContact O-N 3.13Å; D153-R155 WeakPolarHBondContact O-CG 3.4Å; D153-R155 PolarHBondContact O-N 3.46Å; D153-R155 VanDerWaalsContact O-N 3.1Å; D153-R155 PolarHBondContact OD1-N 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.31Å; D153-S156 PolarHBondContact OD1-N 2.84Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 PolarHBondContact OD2-OG 2.99Å
154L96.8Very high97.6Very high4 Ų461.6 Ų61.62%0.02133%0.332CS..SBendtrans53.122.3-174.3-53.1-177000114.8F133 L150 K151 E152 R181 L184 E185F133-L154 HydrophobicContact CE1-CD1 4.01Å; F133-L154 HydrophobicContact CZ-CD1 3.68Å; L150-L154 HydrophobicContact CD2-CB 4.38Å; L150-L154 HydrophobicContact CD2-CD2 3.66Å; L150-L154 HydrophobicContact CG-CD2 4.2Å; K151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.83Å; L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 3.98Å; L154-L184 HydrophobicContact CD2-CD1 4.12Å; L154-E185 HydrophobicContact CD1-CG 3.92Å
155R95.9Very high97.6Very high172 Ų17261.5 Ų61.565%0.64932%0.315SS*.SBendtrans-126-32.4-176.5-69.6174.5-171.1-155.33.4111.9D153D153-R155 WeakPolarHBondContact O-CG 3.4Å; D153-R155 PolarHBondContact O-N 3.46Å; D153-R155 VanDerWaalsContact O-N 3.1Å; D153-R155 PolarHBondContact OD1-N 2.87Å
156S96Very high97.6Very high30 Ų3056.7 Ų56.721%0.2130%0.299CS..  trans-111.7150.4-176.466.50000112.3K151 D153K151-S156 WeakPolarHBondContact CB-O 3.33Å; K151-S156 WeakPolarHBondContact CD-OG 3.36Å; K151-S156 WeakPolarHBondContact CE-OG 3.49Å; K151-S156 WeakPolarHBondContact CG-O 3.4Å; K151-S156 PolarHBondContact N-O 2.9Å; D153-S156 VanDerWaalsContact CG-OG 3.31Å; D153-S156 PolarHBondContact OD1-N 2.84Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 PolarHBondContact OD2-OG 2.99Å
157L97.9Very high97.6Very high2 Ų251.6 Ų51.61%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-109.8140.1179.5-65.2164.2000110.4I148 A149 L150 K168 W171 E172I148-L157 HydrophobicContact CD1-CB 4.37Å; I148-L157 HydrophobicContact CD1-CD1 4.26Å; I148-L157 HydrophobicContact CG1-CB 4.45Å; A149-L157 WeakPolarHBondContact O-CA 3.24Å; L150-L157 HydrophobicContact CB-CD2 4.36Å; L150-L157 HydrophobicContact CD1-CD2 4.01Å; L157-K168 HydrophobicContact CB-CD 4.29Å; L157-K168 HydrophobicContact CB-CG 4.1Å; L157-K168 VanDerWaalsContact O-CE 3.3Å; L157-K168 WeakPolarHBondContact O-CE 3.41Å; L157-K168 PolarHBondContact O-NZ 3.14Å; L157-W171 HydrophobicContact CD1-CB 3.66Å; L157-W171 HydrophobicContact CD1-CE3 3.95Å; L157-W171 HydrophobicContact CD2-CE3 4Å; L157-W171 HydrophobicContact CD2-CZ3 4.32Å; L157-E172 HydrophobicContact CD1-CG 4.38Å
158T98.2Very high97.5Very high71 Ų7153.2 Ų53.244%0.43628%0.28SS..EExtended strand (participates in β ladder)trans-103.5126.5168.5-58.30000108.6I148 A149 K151I148-T158 CarbonylContact C-O 3.57Å; I148-T158 VanDerWaalsContact CA-O 3.31Å; I148-T158 WeakPolarHBondContact CA-O 3.3Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; A149-T158 PolarHBondContact N-O 2.85Å; A149-T158 PolarHBondContact O-N 2.83Å; K151-T158 WeakPolarHBondContact CE-OG1 3.45Å; K151-T158 WeakPolarHBondContact CG-OG1 2.88Å
159A98.4Very high97.5Very high15 Ų1558.3 Ų58.312%0.12430%0.304CS..EExtended strand (participates in β ladder)trans-106.2134.5173.600000108.8A164 Q165 K168A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.34Å; A159-K168 HydrophobicContact CB-CB 4.2Å; A159-K168 HydrophobicContact CB-CD 4.08Å
160A98.2Very high97.5Very high59 Ų5962.6 Ų62.649%0.48832%0.316SS..SBendtrans-77.7-30.3-174.400000113.3D146 Y147D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 PolarHBondContact O-N 2.95Å
161D97.7Very high97.5Very high59 Ų5964.3 Ų64.332%0.31632%0.321SS..SBendtrans-150.3-175.4-17966.129.6000112.5Y109 A163 A164 Q165Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.39Å; Y109-D161 VanDerWaalsContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 3.48Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.97Å; D161-A163 WeakPolarHBondContact OD1-CA 3.29Å; D161-A163 WeakPolarHBondContact OD1-CB 3.45Å; D161-A163 PolarHBondContact OD1-N 3.1Å; D161-A164 WeakPolarHBondContact O-CB 3.18Å; D161-A164 PolarHBondContact O-N 3.01Å; D161-A164 PolarHBondContact OD1-N 3.27Å; D161-Q165 WeakPolarHBondContact O-CG 3.34Å; D161-Q165 PolarHBondContact O-N 3.12Å
162M96.9Very high97.5Very high155 Ų15563.8 Ų63.876%0.76432%0.321SS*.Hα-helixtrans-64.7-32.2-179.2-68.1-55.7-58.900113.8Q165M162-Q165 WeakPolarHBondContact O-CB 3.5Å; M162-Q165 PolarHBondContact O-N 2.85Å
163A96.4Very high97.6Very high12 Ų1261.3 Ų61.310%0.09932%0.323CS..Hα-helixtrans-70.4-39.5175.700000110.4Y109 Y147 D161 Q165 T166Y109-A163 HydrophobicContact CD1-CB 4.11Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.92Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 PolarHBondContact OH-O 3.48Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 2.97Å; D161-A163 WeakPolarHBondContact OD1-CA 3.29Å; D161-A163 WeakPolarHBondContact OD1-CB 3.45Å; D161-A163 PolarHBondContact OD1-N 3.1Å; A163-Q165 VanDerWaalsContact C-N 3.31Å; A163-Q165 PolarHBondContact O-N 3.44Å; A163-T166 WeakPolarHBondContact O-CB 3.49Å; A163-T166 PolarHBondContact O-N 2.91Å
164A98.1Very high97.7Very high0 Ų060.1 Ų60.10%033%0.325CS..Hα-helixtrans-64.3-31.1174.100000113.5Y147 A159 D161 T166 T167 K168Y147-A164 HydrophobicContact CD2-CB 3.74Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.57Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.36Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 WeakPolarHBondContact O-CB 3.18Å; D161-A164 PolarHBondContact O-N 3.01Å; D161-A164 PolarHBondContact OD1-N 3.27Å; A164-T166 PolarHBondContact O-N 3.17Å; A164-T167 PolarHBondContact O-N 2.89Å; A164-T167 VanDerWaalsContact O-N 3.13Å; A164-K168 PolarHBondContact O-N 2.75Å
165Q98.3Very high97.7Very high59 Ų5965.2 Ų65.228%0.27635%0.348SS..Hα-helixtrans-57.8-35.5173.6-66.4-62.7-18.100112.1A159 D161 M162 A163 T167 K168 H169A159-Q165 HydrophobicContact CB-CG 4.34Å; D161-Q165 WeakPolarHBondContact O-CG 3.34Å; D161-Q165 PolarHBondContact O-N 3.12Å; M162-Q165 WeakPolarHBondContact O-CB 3.5Å; M162-Q165 PolarHBondContact O-N 2.85Å; A163-Q165 VanDerWaalsContact C-N 3.31Å; A163-Q165 PolarHBondContact O-N 3.44Å; Q165-T167 VanDerWaalsContact C-N 3.35Å; Q165-T167 PolarHBondContact O-N 3.17Å; Q165-K168 PolarHBondContact O-N 2.97Å; Q165-H169 PolarHBondContact O-CD2 3.15Å; Q165-H169 PolarHBondContact O-N 3.14Å
166T97.3Very high97.8Very high59 Ų5958.3 Ų58.336%0.36233%0.325SS..Hα-helixtrans-61.9-43.9177.2-59.10000111.3Y108 A163 A164 K170Y108-T166 HydrophobicContact CE1-CG2 4.11Å; Y108-T166 HydrophobicContact CE2-CG2 4.04Å; A163-T166 WeakPolarHBondContact O-CB 3.49Å; A163-T166 PolarHBondContact O-N 2.91Å; A164-T166 PolarHBondContact O-N 3.17Å; T166-K170 WeakPolarHBondContact O-CG 3.23Å; T166-K170 PolarHBondContact O-N 3.02Å
167T97.9Very high97.8Very high17 Ų1757.4 Ų57.410%0.10432%0.319CS..Hα-helixtrans-68.6-41.6175.7-66.40000111.5Y147 I148 A164 Q165 H169 K170 W171Y147-T167 HydrophobicContact CE1-CG2 4.13Å; Y147-T167 WeakPolarHBondContact OH-CB 3.48Å; Y147-T167 PolarHBondContact OH-OG1 2.79Å; I148-T167 HydrophobicContact CD1-CG2 4.07Å; A164-T167 PolarHBondContact O-N 2.89Å; A164-T167 VanDerWaalsContact O-N 3.13Å; Q165-T167 VanDerWaalsContact C-N 3.35Å; Q165-T167 PolarHBondContact O-N 3.17Å; T167-H169 PolarHBondContact O-N 3.37Å; T167-K170 PolarHBondContact O-N 2.8Å; T167-W171 HydrophobicContact CG2-CD2 4.22Å; T167-W171 HydrophobicContact CG2-CG 4.28Å; T167-W171 HydrophobicContact CG2-CZ2 4.26Å; T167-W171 WeakPolarHBondContact O-CB 3.43Å; T167-W171 PolarHBondContact O-N 3.08Å
168K98.5Very high97.8Very high42 Ų4263.3 Ų63.318%0.18335%0.347CS..Hα-helixtrans-54.8-51176.3175.6173.9170.6174.40111.7I148 L157 A159 A164 Q165 K170 W171 E172I148-K168 HydrophobicContact CD1-CB 3.86Å; L157-K168 HydrophobicContact CB-CD 4.29Å; L157-K168 HydrophobicContact CB-CG 4.1Å; L157-K168 VanDerWaalsContact O-CE 3.3Å; L157-K168 WeakPolarHBondContact O-CE 3.41Å; L157-K168 PolarHBondContact O-NZ 3.14Å; A159-K168 HydrophobicContact CB-CB 4.2Å; A159-K168 HydrophobicContact CB-CD 4.08Å; A164-K168 PolarHBondContact O-N 2.75Å; Q165-K168 PolarHBondContact O-N 2.97Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.37Å; K168-W171 PolarHBondContact O-N 2.82Å; K168-W171 VanDerWaalsContact O-N 3.15Å; K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 HydrophobicContact CG-CG 4.31Å; K168-E172 IonicContact NZ-OE1 3.96Å; K168-E172 WeakPolarHBondContact O-CB 3.39Å; K168-E172 WeakPolarHBondContact O-CG 3.4Å; K168-E172 PolarHBondContact O-N 3.03Å
169H98.3Very high97.7Very high112 Ų11266.4 Ų66.452%0.51936%0.356SS..Hα-helixtrans-61.4-39.1179-69.1-43.5000112.9Q165 T167 E172 A173Q165-H169 PolarHBondContact O-CD2 3.15Å; Q165-H169 PolarHBondContact O-N 3.14Å; T167-H169 PolarHBondContact O-N 3.37Å; H169-E172 IonicContact ND1-OE2 3.37Å; H169-A173 WeakPolarHBondContact O-CB 3.49Å; H169-A173 PolarHBondContact O-N 3.49Å
170K97.8Very high97.7Very high121 Ų12166.8 Ų66.853%0.52636%0.356SS..Hα-helixtrans-62.9-43.4174.6-72.8177.1176.4-176.90111.8Y108 T166 T167 K168 A174Y108-K170 PolarHBondContact OH-NZ 3.36Å; T166-K170 WeakPolarHBondContact O-CG 3.23Å; T166-K170 PolarHBondContact O-N 3.02Å; T167-K170 PolarHBondContact O-N 2.8Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.37Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.3Å
171W98.1Very high97.7Very high51 Ų5167.5 Ų67.519%0.19335%0.346CS..Hα-helixtrans-70.7-37-179.5-78.523.4000112.7H138 Y140 I148 L157 T167 K168 A174 H175 V176 L180H138-W171 AromaticContact CE1-CH2 3.59Å; H138-W171 AromaticContact CE1-CZ3 3.73Å; H138-W171 AromaticContact ND1-CZ3 3.93Å; Y140-W171 AromaticContact CD2-CH2 3.94Å; Y140-W171 HydrophobicContact CD2-CH2 3.94Å; Y140-W171 AromaticContact CE2-CH2 3.67Å; Y140-W171 HydrophobicContact CE2-CH2 3.67Å; Y140-W171 HydrophobicContact CE2-CZ2 4.31Å; I148-W171 HydrophobicContact CD1-CE3 4.23Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 4.21Å; L157-W171 HydrophobicContact CD1-CB 3.66Å; L157-W171 HydrophobicContact CD1-CE3 3.95Å; L157-W171 HydrophobicContact CD2-CE3 4Å; L157-W171 HydrophobicContact CD2-CZ3 4.32Å; T167-W171 HydrophobicContact CG2-CD2 4.22Å; T167-W171 HydrophobicContact CG2-CG 4.28Å; T167-W171 HydrophobicContact CG2-CZ2 4.26Å; T167-W171 WeakPolarHBondContact O-CB 3.43Å; T167-W171 PolarHBondContact O-N 3.08Å; K168-W171 PolarHBondContact O-N 2.82Å; K168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 2.81Å; W171-H175 PolarHBondContact O-N 3.45Å; W171-V176 HydrophobicContact CB-CB 3.94Å; W171-V176 HydrophobicContact CB-CG2 3.95Å; W171-V176 HydrophobicContact CD2-CB 4.25Å; W171-V176 HydrophobicContact CD2-CG1 3.93Å; W171-V176 HydrophobicContact CD2-CG2 4.39Å; W171-V176 HydrophobicContact CE3-CB 4.41Å; W171-V176 HydrophobicContact CE3-CG1 3.87Å; W171-V176 HydrophobicContact CG-CB 4.06Å; W171-V176 HydrophobicContact CG-CG1 4.26Å; W171-V176 HydrophobicContact CG-CG2 3.9Å; W171-V176 HydrophobicContact CZ3-CG1 4.44Å; W171-V176 PolarHBondContact O-N 3.2Å; W171-L180 HydrophobicContact CZ3-CD1 4.48Å
172E98.2Very high97.7Very high84 Ų8467.8 Ų67.839%0.39336%0.357SS..Hα-helixtrans-64-47.7173.1-73.4173.4159.200110.9L157 K168 H169 A174 H175L157-E172 HydrophobicContact CD1-CG 4.38Å; K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 HydrophobicContact CG-CG 4.31Å; K168-E172 IonicContact NZ-OE1 3.96Å; K168-E172 WeakPolarHBondContact O-CB 3.39Å; K168-E172 WeakPolarHBondContact O-CG 3.4Å; K168-E172 PolarHBondContact O-N 3.03Å; H169-E172 IonicContact ND1-OE2 3.37Å; E172-A174 PolarHBondContact O-N 3.47Å; E172-H175 PolarHBondContact O-N 3.5Å; E172-H175 VanDerWaalsContact O-N 3.09Å
173A98.1Very high97.8Very high82 Ų8263.6 Ų63.668%0.67833%0.333SS*.Hα-helixtrans-62.8-29.2177.200000113.2H169H169-A173 WeakPolarHBondContact O-CB 3.49Å; H169-A173 PolarHBondContact O-N 3.49Å
174A97.9Very high97.9Very high57 Ų5763 Ų6347%0.47133%0.328SS..THydrogen-bonded Turntrans-946.2177.400000113.8K170 W171 E172 V176K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.3Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 2.81Å; E172-A174 PolarHBondContact O-N 3.47Å; A174-V176 HydrophobicContact CB-CG2 4.02Å; A174-V176 PolarHBondContact O-N 2.73Å
175H97.1Very high97.9Very high110 Ų11066.7 Ų66.751%0.50935%0.346SS..THydrogen-bonded Turntrans52.935.4-179.2-62.3-91.8000113.9W171 E172 A177 E178W171-H175 PolarHBondContact O-N 3.45Å; E172-H175 PolarHBondContact O-N 3.5Å; E172-H175 VanDerWaalsContact O-N 3.09Å; H175-A177 VanDerWaalsContact C-N 3.26Å; H175-A177 PolarHBondContact O-N 2.83Å; H175-E178 HydrophobicContact CB-CG 4.49Å; H175-E178 IonicContact CE1-OE1 3.94Å; H175-E178 IonicContact CG-OE1 3.79Å; H175-E178 IonicContact ND1-OE1 2.96Å; H175-E178 PolarHBondContact ND1-OE1 2.88Å; H175-E178 PolarHBondContact O-N 2.83Å; H175-E178 VanDerWaalsContact O-N 3.14Å
176V97.5Very high97.9Very high27 Ų2765 Ų6516%0.16434%0.344CS..Hα-helixtrans-61-36.7-175.51740000111.6W171 A174 E178 Q179 L180W171-V176 HydrophobicContact CB-CB 3.94Å; W171-V176 HydrophobicContact CB-CG2 3.95Å; W171-V176 HydrophobicContact CD2-CB 4.25Å; W171-V176 HydrophobicContact CD2-CG1 3.93Å; W171-V176 HydrophobicContact CD2-CG2 4.39Å; W171-V176 HydrophobicContact CE3-CB 4.41Å; W171-V176 HydrophobicContact CE3-CG1 3.87Å; W171-V176 HydrophobicContact CG-CB 4.06Å; W171-V176 HydrophobicContact CG-CG1 4.26Å; W171-V176 HydrophobicContact CG-CG2 3.9Å; W171-V176 HydrophobicContact CZ3-CG1 4.44Å; W171-V176 PolarHBondContact O-N 3.2Å; A174-V176 HydrophobicContact CB-CG2 4.02Å; A174-V176 PolarHBondContact O-N 2.73Å; V176-E178 PolarHBondContact O-N 3.43Å; V176-Q179 PolarHBondContact O-N 2.85Å; V176-L180 HydrophobicContact CG1-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CG 4.04Å; V176-L180 WeakPolarHBondContact O-CG 3.12Å; V176-L180 PolarHBondContact O-N 3.01Å
177A97.8Very high97.9Very high11 Ų1165 Ų659%0.09134%0.344CS..Hα-helixtrans-58.2-36.3178.900000112.6L150 H175 L180 R181L150-A177 HydrophobicContact CD1-CB 3.98Å; H175-A177 VanDerWaalsContact C-N 3.26Å; H175-A177 PolarHBondContact O-N 2.83Å; A177-L180 PolarHBondContact O-N 3.46Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.23Å; A177-R181 PolarHBondContact O-N 2.87Å
178E97.4Very high97.9Very high127 Ų12764.1 Ų64.159%0.59334%0.339SS*.Hα-helixtrans-67.3-41.1178.7-64.2174.4-155.300111.7H175 V176 R181 A182H175-E178 HydrophobicContact CB-CG 4.49Å; H175-E178 IonicContact CE1-OE1 3.94Å; H175-E178 IonicContact CG-OE1 3.79Å; H175-E178 IonicContact ND1-OE1 2.96Å; H175-E178 PolarHBondContact ND1-OE1 2.88Å; H175-E178 PolarHBondContact O-N 2.83Å; H175-E178 VanDerWaalsContact O-N 3.14Å; V176-E178 PolarHBondContact O-N 3.43Å; E178-R181 PolarHBondContact O-N 2.85Å; E178-A182 WeakPolarHBondContact O-CB 3.37Å; E178-A182 PolarHBondContact O-N 3.32Å
179Q96.8Very high97.9Very high136 Ų13662.5 Ų62.564%0.63633%0.332SS*.Hα-helixtrans-65.3-43.6176-61.9180-2.500111.6V176 A182 Y183V176-Q179 PolarHBondContact O-N 2.85Å; Q179-A182 PolarHBondContact O-N 2.96Å; Q179-Y183 PolarHBondContact O-N 2.97Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å
180L97.8Very high97.9Very high23 Ų2363.2 Ų63.212%0.1234%0.336CS..Hα-helixtrans-62.9-44.9176.6-66178.4000110.9H138 L150 W171 V176 A177 A182 Y183 L184H138-L180 HydrophobicContact CB-CD1 4.17Å; H138-L180 VanDerWaalsContact CD2-CD2 3.45Å; H138-L180 WeakPolarHBondContact CD2-CD2 3.29Å; H138-L180 VanDerWaalsContact NE2-CD2 3.34Å; H138-L180 WeakPolarHBondContact NE2-CD2 3.41Å; L150-L180 HydrophobicContact CD2-CB 4.18Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; W171-L180 HydrophobicContact CZ3-CD1 4.48Å; V176-L180 HydrophobicContact CG1-CD1 3.89Å; V176-L180 HydrophobicContact CG1-CG 4.04Å; V176-L180 WeakPolarHBondContact O-CG 3.12Å; V176-L180 PolarHBondContact O-N 3.01Å; A177-L180 PolarHBondContact O-N 3.46Å; L180-A182 PolarHBondContact O-N 3.35Å; L180-Y183 PolarHBondContact O-N 3.08Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.5Å
181R98.2Very high97.9Very high73 Ų7360.5 Ų60.528%0.27532%0.322SS..Hα-helixtrans-58.5-47.1176.6-177.6173.9-179.1-138.9-17.4112L154 A177 E178 Y183 L184 E185L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 3.98Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.23Å; A177-R181 PolarHBondContact O-N 2.87Å; E178-R181 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.85Å; R181-L184 PolarHBondContact O-N 3.41Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 3.55Å; R181-E185 IonicContact CZ-OE2 3.71Å; R181-E185 IonicContact NE-OE1 3.26Å; R181-E185 PolarHBondContact NE-OE1 2.81Å; R181-E185 IonicContact NE-OE2 3.72Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.67Å; R181-E185 PolarHBondContact NH2-OE1 2.91Å; R181-E185 VanDerWaalsContact NH2-OE1 3.09Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 3.44Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 PolarHBondContact O-N 3.14Å
182A98.2Very high97.9Very high65 Ų6558 Ų5854%0.53731%0.313SS..Hα-helixtrans-58.9-41.5178.100000112.4E178 Q179 L180 G186E178-A182 WeakPolarHBondContact O-CB 3.37Å; E178-A182 PolarHBondContact O-N 3.32Å; Q179-A182 PolarHBondContact O-N 2.96Å; L180-A182 PolarHBondContact O-N 3.35Å; A182-G186 PolarHBondContact O-N 2.7Å
183Y98.1Very high97.8Very high67 Ų6759.3 Ų59.326%0.26331%0.314SS..Iπ-helixtrans-66.1-46.5174.2171.2-97000112.4Y123 Q179 L180 R181 T187 C188Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.83Å; Y123-Y183 HydrophobicContact CE2-CE1 3.83Å; Q179-Y183 PolarHBondContact O-N 2.97Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å; L180-Y183 PolarHBondContact O-N 3.08Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.85Å; Y183-T187 HydrophobicContact CD2-CG2 4.1Å; Y183-T187 HydrophobicContact CE2-CG2 3.96Å; Y183-T187 PolarHBondContact O-N 2.86Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 WeakPolarHBondContact O-CB 3.23Å; Y183-C188 PolarHBondContact O-N 3.42Å
184L98.5Very high97.8Very high1 Ų161.3 Ų61.31%0.00530%0.304CS..Iπ-helixtrans-69.5-42.3-173.7-70.8171.8000112.7G124 F133 L150 L154 L180 R181G124-L184 WeakPolarHBondContact O-CD2 3.39Å; F133-L184 WeakPolarHBondContact CE2-O 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.83Å; L154-L184 HydrophobicContact CD2-CD1 4.12Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.5Å; R181-L184 PolarHBondContact O-N 3.41Å
185E98.1Very high97.8Very high77 Ų7758.7 Ų58.736%0.3628%0.282SS..Iπ-helixtrans-78.1-25178.7-67.8-178.4174.300112.6F133 L154 R181F133-E185 HydrophobicContact CD1-CG 4.1Å; F133-E185 HydrophobicContact CD2-CG 4.49Å; F133-E185 HydrophobicContact CE1-CG 3.99Å; F133-E185 HydrophobicContact CE2-CG 4.39Å; F133-E185 HydrophobicContact CG-CG 4.36Å; F133-E185 HydrophobicContact CZ-CG 4.15Å; L154-E185 HydrophobicContact CD1-CG 3.92Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 3.55Å; R181-E185 IonicContact CZ-OE2 3.71Å; R181-E185 IonicContact NE-OE1 3.26Å; R181-E185 PolarHBondContact NE-OE1 2.81Å; R181-E185 IonicContact NE-OE2 3.72Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.67Å; R181-E185 PolarHBondContact NH2-OE1 2.91Å; R181-E185 VanDerWaalsContact NH2-OE1 3.09Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 3.44Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 PolarHBondContact O-N 3.14Å
186G97.9Very high97.7Very high24 Ų2453.4 Ų53.425%0.24726%0.258CS..Iπ-helixtrans-107.7-93.5-177.100000113A182 C188 V189 E190A182-G186 PolarHBondContact O-N 2.7Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.4Å; G186-C188 VanDerWaalsContact O-N 3.15Å; G186-V189 WeakPolarHBondContact O-CB 3.27Å; G186-V189 PolarHBondContact O-N 3.27Å; G186-E190 PolarHBondContact O-N 3.06Å
187T97.9Very high97.6Very high57 Ų5758 Ų5835%0.3528%0.277SS..Iπ-helixtrans-54.3-38.8-170.3-560000113.7Y183 E190 W191Y183-T187 HydrophobicContact CD2-CG2 4.1Å; Y183-T187 HydrophobicContact CE2-CG2 3.96Å; Y183-T187 PolarHBondContact O-N 2.86Å; T187-E190 PolarHBondContact O-N 3.23Å; T187-W191 PolarHBondContact O-N 3.45Å
188C98.4Very high97.5Very high0 Ų059.7 Ų59.70%029%0.285CS..Hα-helixtrans-60.6-46.7177.4-175.20000111.6M29 C125 Y183 G186 W191 L192M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 3.21Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.76Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 WeakPolarHBondContact O-CB 3.23Å; Y183-C188 PolarHBondContact O-N 3.42Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.4Å; G186-C188 VanDerWaalsContact O-N 3.15Å; C188-W191 PolarHBondContact O-N 3.44Å; C188-L192 WeakPolarHBondContact O-CB 2.83Å; C188-L192 PolarHBondContact O-N 2.92Å
189V98.3Very high97.4Very high7 Ų753.8 Ų53.84%0.04226%0.258CS..Hα-helixtrans-66.1-40.7178.8173.30000111.2C125 V127 F133 G186 L192 R193C125-V189 HydrophobicContact CB-CG2 4.47Å; V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 3.84Å; V127-V189 HydrophobicContact CG1-CG2 4.04Å; F133-V189 HydrophobicContact CB-CG2 4.06Å; F133-V189 HydrophobicContact CD2-CG2 3.73Å; F133-V189 HydrophobicContact CG-CG2 4.39Å; G186-V189 WeakPolarHBondContact O-CB 3.27Å; G186-V189 PolarHBondContact O-N 3.27Å; V189-L192 PolarHBondContact O-N 2.74Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.98Å
190E98Very high97.3Very high128 Ų12852.4 Ų52.460%0.59825%0.25SC*.Hα-helixtrans-60.3-46.7176.5-69.5174.4169.500111.9G186 T187 R193 R194G186-E190 PolarHBondContact O-N 3.06Å; T187-E190 PolarHBondContact O-N 3.23Å; E190-R193 PolarHBondContact O-N 2.75Å; E190-R194 PolarHBondContact O-N 3.1Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191W98Very high97Very high63 Ų6359.9 Ų59.924%0.23928%0.284CS..Hα-helixtrans-65.7-43.9176.4-80.9111.5000112.4M29 Y83 T187 C188 R193 R194 Y195M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.33Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.37Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.27Å; Y83-W191 AromaticContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CH2 3.83Å; Y83-W191 HydrophobicContact CE2-CZ2 4.49Å; Y83-W191 AromaticContact CE2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CZ3 3.68Å; T187-W191 PolarHBondContact O-N 3.45Å; C188-W191 PolarHBondContact O-N 3.44Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.88Å; W191-R194 PolarHBondContact O-N 3.33Å; W191-R194 VanDerWaalsContact O-N 3.17Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE1 3.49Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-OH 3.29Å; W191-Y195 AromaticContact CZ3-CE1 3.94Å; W191-Y195 HydrophobicContact CZ3-CE1 3.94Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 3.42Å
192L98.2Very high96.7Very high0 Ų058.5 Ų58.50%028%0.284CS..Hα-helixtrans-58.2-44.7177.717751.2000111.3M29 V52 V127 C188 V189 R194 Y195 L196M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.2Å; M29-L192 HydrophobicContact CB-CG 4.33Å; V52-L192 HydrophobicContact CG1-CD1 3.66Å; V52-L192 HydrophobicContact CG2-CD1 4.29Å; V127-L192 HydrophobicContact CB-CD2 4.42Å; V127-L192 HydrophobicContact CG1-CD2 3.99Å; V127-L192 HydrophobicContact CG2-CD2 3.73Å; V127-L192 HydrophobicContact CG2-CG 4.28Å; C188-L192 WeakPolarHBondContact O-CB 2.83Å; C188-L192 PolarHBondContact O-N 2.92Å; V189-L192 PolarHBondContact O-N 2.74Å; L192-R194 PolarHBondContact O-N 2.97Å; L192-Y195 PolarHBondContact O-N 3.31Å; L192-L196 HydrophobicContact CD1-CD1 3.47Å; L192-L196 VanDerWaalsContact CD1-CD1 3.47Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 3.74Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.32Å
193R96.4Very high96.4Very high111 Ų11155.6 Ų55.642%0.41926%0.259SS..Hα-helixtrans-60.1-45.4174.9-72.9173.6-178.8-178.42.1112.4W131 V189 E190 W191 Y195 L196 E197W131-R193 HydrophobicContact CE3-CG 4.07Å; W131-R193 VanDerWaalsContact O-CZ 3.28Å; W131-R193 PolarHBondContact O-NE 2.9Å; W131-R193 PolarHBondContact O-NH2 2.76Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.98Å; E190-R193 PolarHBondContact O-N 2.75Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.88Å; R193-Y195 PolarHBondContact O-N 2.91Å; R193-L196 PolarHBondContact O-N 2.88Å; R193-E197 PolarHBondContact O-N 3.35Å
194R96.8Very high96.1Very high124 Ų12455.7 Ų55.747%0.46826%0.262SS..Hα-helixtrans-60.2-45176.8179.6178.5174.6119.2-4.7111.5E79 E190 W191 L192 E197 N198E79-R194 IonicContact OE1-CZ 3.81Å; E79-R194 IonicContact OE1-NE 3.47Å; E79-R194 PolarHBondContact OE1-NE 2.77Å; E79-R194 IonicContact OE1-NH2 2.74Å; E79-R194 PolarHBondContact OE1-NH2 2.79Å; E79-R194 IonicContact OE2-CZ 3.03Å; E79-R194 IonicContact OE2-NE 2.69Å; E79-R194 IonicContact OE2-NH2 2.72Å; E79-R194 PolarHBondContact OE2-NH2 3.02Å; E190-R194 PolarHBondContact O-N 3.1Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 PolarHBondContact O-N 3.33Å; W191-R194 VanDerWaalsContact O-N 3.17Å; L192-R194 PolarHBondContact O-N 2.97Å; R194-E197 PolarHBondContact O-N 3.22Å; R194-N198 WeakPolarHBondContact O-CB 3.12Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.48Å
195Y97.4Very high95.8Very high1 Ų159.6 Ų59.60%0.00428%0.277CS..Hα-helixtrans-67-38179.3-61.2-26.6000112.6M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CE2-CE2 3.68Å; F57-Y195 AromaticContact CE2-CZ 3.97Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å; W75-Y195 HydrophobicContact CH2-CG 4.4Å; W75-Y195 HydrophobicContact CZ3-CD1 4.03Å; W75-Y195 AromaticContact CZ3-CG 3.87Å; W75-Y195 HydrophobicContact CZ3-CG 3.87Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.39Å; Y83-Y195 HydrophobicContact CE2-CE1 4.37Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 3.31Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.4Å; W191-Y195 AromaticContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE1 3.49Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-OH 3.29Å; W191-Y195 AromaticContact CZ3-CE1 3.94Å; W191-Y195 HydrophobicContact CZ3-CE1 3.94Å; W191-Y195 WeakPolarHBondContact O-CD2 3.42Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 3.42Å; L192-Y195 PolarHBondContact O-N 3.31Å; R193-Y195 PolarHBondContact O-N 2.91Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.42Å; Y195-N198 PolarHBondContact O-N 2.72Å; Y195-G199 PolarHBondContact O-N 2.78Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196L95.6Very high95.6Very high0 Ų058.8 Ų58.80%028%0.277CS..Hα-helixtrans-67.6-31.5175.9-75.1163.9000112.8H27 V52 W131 L192 R193 K200 L203 Q204H27-L196 HydrophobicContact CB-CD1 3.47Å; H27-L196 VanDerWaalsContact CB-CD1 3.47Å; H27-L196 HydrophobicContact CB-CD2 4.22Å; H27-L196 HydrophobicContact CB-CG 4.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 3.98Å; V52-L196 HydrophobicContact CG1-CG 4.26Å; W131-L196 HydrophobicContact CE3-CD1 4.18Å; W131-L196 HydrophobicContact CH2-CB 3.94Å; W131-L196 HydrophobicContact CH2-CD1 4.07Å; W131-L196 HydrophobicContact CH2-CG 4.5Å; W131-L196 HydrophobicContact CZ3-CB 3.63Å; W131-L196 HydrophobicContact CZ3-CD1 3.33Å; W131-L196 HydrophobicContact CZ3-CG 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.47Å; L192-L196 VanDerWaalsContact CD1-CD1 3.47Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 3.74Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.32Å; R193-L196 PolarHBondContact O-N 2.88Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.31Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 3.49Å; L196-K200 VanDerWaalsContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 3.89Å; L196-L203 HydrophobicContact CD2-CD1 4.1Å; L196-Q204 HydrophobicContact CD2-CG 4.42Å; L196-Q204 PolarHBondContact O-NE2 3.42Å
197E95.4Very high95.5Very high122 Ų12260.2 Ų60.257%0.5728%0.279SS*.Hα-helixtrans-71.8-48.4171.3-171.461-15300111R193 R194 Y195 G199 K200R193-E197 PolarHBondContact O-N 3.35Å; R194-E197 PolarHBondContact O-N 3.22Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.42Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.38Å
198N96.3Very high95.5Very high47 Ų4759.9 Ų59.925%0.25128%0.282SS..Hα-helixtrans-58.8-42.7178.5-70.3-2.7000112.4Q78 E79 R194 Y195Q78-N198 PolarHBondContact NE2-ND2 3.24Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.08Å; E79-N198 PolarHBondContact OE1-ND2 2.98Å; E79-N198 VanDerWaalsContact OE1-ND2 3.14Å; R194-N198 WeakPolarHBondContact O-CB 3.12Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.48Å; Y195-N198 PolarHBondContact O-N 2.72Å
199G95.6Very high95.4Very high3 Ų360.2 Ų60.23%0.03129%0.285CS..THydrogen-bonded Turntrans-10118.7-175.900000113.9W75 Y195 E197 E201 T202 L203W75-G199 VanDerWaalsContact CG-CA 3.48Å; Y195-G199 PolarHBondContact O-N 2.78Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.14Å; G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 3.09Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-L203 WeakPolarHBondContact O-CB 3.35Å; G199-L203 PolarHBondContact O-N 3.33Å
200K93.6Very high95.4Very high107 Ų10766.7 Ų66.747%0.46531%0.312SS..Hα-helixtrans-48.6-46.1-171.1-177.3173.6-175.3173.20114L196 E197 T202 Q204L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.31Å; L196-K200 WeakPolarHBondContact O-CB 3.42Å; L196-K200 PolarHBondContact O-N 3.49Å; L196-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.37Å; E197-K200 PolarHBondContact O-N 3.38Å; K200-T202 PolarHBondContact O-N 3.49Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 3.01Å; K200-Q204 VanDerWaalsContact O-N 3.17Å
201E92.3Very high95.4Very high181 Ų18162.4 Ų62.485%0.84630%0.295SS*.Hα-helixtrans-65.5-23.5-179.7-63.2-174.716700113.7G199G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 3.09Å; G199-E201 VanDerWaalsContact O-N 3.15Å
202T92Very high95.2Very high44 Ų4463.2 Ų63.227%0.2730%0.301SS..Hα-helixtrans-103.1-43.1-178.2-54.90000112.4G199 K200 R205G199-T202 PolarHBondContact O-N 2.91Å; K200-T202 PolarHBondContact O-N 3.49Å; T202-R205 WeakPolarHBondContact O-CD 3.33Å; T202-R205 VanDerWaalsContact O-CG 3.29Å; T202-R205 WeakPolarHBondContact O-CG 3.36Å
203L92.6Very high95.1Very high4 Ų464.9 Ų64.92%0.02131%0.309CS..Hα-helixtrans-84.2-30.2-172.1-63.6171.8000112.7V52 T55 W75 Y195 L196 G199V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.24Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.29Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 3.89Å; L196-L203 HydrophobicContact CD2-CD1 4.1Å; G199-L203 WeakPolarHBondContact O-CB 3.35Å; G199-L203 PolarHBondContact O-N 3.33Å
204Q91.2Very high95Very high69 Ų6961.2 Ų61.232%0.32230%0.299SS..SBendtrans-103.314.2179-55.2177.935.700112.1L196 K200L196-Q204 HydrophobicContact CD2-CG 4.42Å; L196-Q204 PolarHBondContact O-NE2 3.42Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 3.01Å; K200-Q204 VanDerWaalsContact O-N 3.17Å
205R92.8Very high94.9Very high82 Ų8258.5 Ų58.531%0.30929%0.292SS..  trans-78.8158.217281.8-172.2172.7-177.62.9109.9T202 D207 Y233T202-R205 WeakPolarHBondContact O-CD 3.33Å; T202-R205 VanDerWaalsContact O-CG 3.29Å; T202-R205 WeakPolarHBondContact O-CG 3.36Å; R205-D207 IonicContact CZ-OD2 3.69Å; R205-D207 IonicContact NE-OD2 2.82Å; R205-D207 PolarHBondContact NE-OD2 3.37Å; R205-Y233 HydrophobicContact CG-CD1 3.83Å; R205-Y233 HydrophobicContact CG-CE1 4.25Å; R205-Y233 WeakPolarHBondContact O-CD1 3.28Å
206T93.5Very high94.6Very high60 Ų6062.6 Ų62.637%0.36831%0.311SS..  trans-136.2117171.6-32.20000109.1Y233 E288T206-Y233 WeakPolarHBondContact CA-O 3.4Å; T206-Y233 WeakPolarHBondContact CG2-O 3Å; T206-E288 HydrophobicContact CG2-CB 3.98Å; T206-E288 HydrophobicContact CG2-CG 4.07Å
207D95.4Very high94.4Very high55 Ų5566.3 Ų66.329%0.29434%0.342SS..BIsolated β-bridgetrans-105115.1-178.8-63.1-37.8000108.5R205 F232 Y233 H287R205-D207 IonicContact CZ-OD2 3.69Å; R205-D207 IonicContact NE-OD2 2.82Å; R205-D207 PolarHBondContact NE-OD2 3.37Å; D207-F232 VanDerWaalsContact O-CA 3.29Å; D207-F232 WeakPolarHBondContact O-CA 3.22Å; D207-F232 WeakPolarHBondContact O-CB 3.44Å; D207-Y233 PolarHBondContact N-O 2.9Å; D207-Y233 PolarHBondContact O-N 3.33Å; D207-H287 PolarHBondContact O-CE1 3.02Å
208A97.2Very high94.1Very high49 Ų4965 Ų6541%0.40534%0.342SS..  trans-65.7140.1179.900000111.7K210 G289 L290A208-K210 PolarHBondContact O-N 3.2Å; A208-G289 WeakPolarHBondContact CB-O 3.03Å; A208-L290 HydrophobicContact CB-CD2 3.98Å
209P97.9Very high93.8Very high8 Ų865.3 Ų65.35%0.05235%0.348CS..  trans-64.4130.6179.126.7-34.8000112T211 A229 F232 I237 V285 H287 L290P209-T211 HydrophobicContact CB-CG2 4.09Å; P209-T211 HydrophobicContact CG-CG2 4.29Å; P209-T211 PolarHBondContact O-N 3.16Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.95Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.99Å; P209-H287 HydrophobicContact CG-CB 4.11Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.18Å
210K97.9Very high93.3Very high142 Ų14272.4 Ų72.462%0.61739%0.385SS*.EExtended strand (participates in β ladder)trans-76.2109.2164.4-65.1177.3-174168.40107.7A208 L230A208-K210 PolarHBondContact O-N 3.2Å; K210-L230 PolarHBondContact N-O 3.25Å; K210-L230 PolarHBondContact O-N 2.91Å
211T97.3Very high93.2Very high39 Ų3974.2 Ų74.224%0.23939%0.394CS..EExtended strand (participates in β ladder)trans-106144.7-17557.50000112.2P209 W228 A229 V285 L294 L296P209-T211 HydrophobicContact CB-CG2 4.09Å; P209-T211 HydrophobicContact CG-CG2 4.29Å; P209-T211 PolarHBondContact O-N 3.16Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-W228 WeakPolarHBondContact CB-O 3.49Å; T211-A229 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.28Å; T211-V285 HydrophobicContact CG2-CG2 4.13Å; T211-L294 HydrophobicContact CG2-CD1 4.46Å; T211-L296 HydrophobicContact CG2-CD1 4.09Å
212H94.8Very high93.3Very high80 Ų8070 Ų7037%0.3738%0.375SS..EExtended strand (participates in β ladder)trans-155.7165.217168.5-78.4000110.2W228H212-W228 AromaticContact CD2-CD1 3.88Å; H212-W228 WeakPolarHBondContact CE1-CB 3.34Å; H212-W228 AromaticContact CE1-CD1 3.76Å; H212-W228 AromaticContact CE1-CG 3.47Å; H212-W228 VanDerWaalsContact CE1-CG 3.47Å; H212-W228 PolarHBondContact N-O 3.1Å; H212-W228 AromaticContact NE2-CD1 3.37Å; H212-W228 AromaticContact NE2-CG 3.57Å; H212-W228 AromaticContact NE2-NE1 3.92Å; H212-W228 PolarHBondContact O-N 3.37Å
213M95.3Very high93.4Very high35 Ų3567.9 Ų67.917%0.17236%0.362CS..EExtended strand (participates in β ladder)trans-113.7142.6174.8-75.3-163.516800111.3R226 W241 C283 L296 W298M213-R226 WeakPolarHBondContact CA-O 3.47Å; M213-W241 HydrophobicContact CE-CH2 3.25Å; M213-W241 HydrophobicContact CE-CZ2 4.06Å; M213-W241 HydrophobicContact CE-CZ3 3.68Å; M213-W241 HydrophobicContact SD-CH2 4.02Å; M213-C283 HydrophobicContact CE-CB 3.39Å; M213-L296 HydrophobicContact CE-CB 3.66Å; M213-L296 VanDerWaalsContact CE-O 3.26Å; M213-L296 WeakPolarHBondContact CE-O 3.21Å; M213-L296 HydrophobicContact CG-CB 4.47Å; M213-L296 HydrophobicContact SD-CB 4.5Å; M213-W298 VanDerWaalsContact SD-CA 3.5Å; M213-W298 HydrophobicContact SD-CB 3.82Å; M213-W298 PolarHBondContact SD-N 2.68Å
214T94.4Very high93.6Very high34 Ų3468.8 Ų68.821%0.20937%0.368CS..EExtended strand (participates in β ladder)trans-118.8142170.251.20000109.2R226 W228T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 3.26Å; T214-R226 WeakPolarHBondContact OG1-CB 3.4Å; T214-R226 PolarHBondContact OG1-O 2.95Å; T214-W228 PolarHBondContact OG1-NE1 3.18Å
215H94.1Very high93.8Very high67 Ų6765.5 Ų65.531%0.3135%0.352SS..EExtended strand (participates in β ladder)trans-119.8127.7177.5165.1-78.9000108.7A223 L225 W298H215-A223 WeakPolarHBondContact NE2-CB 3.18Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-W298 HydrophobicContact CB-CZ2 4.17Å; H215-W298 AromaticContact CG-CZ2 3.98Å; H215-W298 AromaticContact CG-NE1 3.99Å
216H92.6Very high94Very high86 Ų8664 Ų6440%0.39835%0.347SS..EExtended strand (participates in β ladder)trans-126.2111.9178.2-59.9-76.2000108.9V218 A223 T224 R226H216-V218 PolarHBondContact O-N 3.17Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.11Å; H216-T224 PolarHBondContact N-O 2.93Å; H216-T224 PolarHBondContact O-N 3.17Å; H216-R226 PolarHBondContact CD2-NH1 3.17Å; H216-R226 VanDerWaalsContact CD2-NH1 3.32Å; H216-R226 PolarHBondContact NE2-NH1 3.16Å
217A90.9Very high94.2Very high79 Ų7961.1 Ų61.165%0.65333%0.329SS*.EExtended strand (participates in β ladder)trans-65.4126.9172.400000109.3
218V88.2Confident94.4Very high94 Ų9460.6 Ų60.657%0.5732%0.323SS*.  trans-98.4-41.1177.2-178.90000109.6H216 E222 T224H216-V218 PolarHBondContact O-N 3.17Å; V218-E222 PolarHBondContact N-O 3.04Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.47Å
219S89.4Confident94.4Very high54 Ų5458.3 Ų58.338%0.37830%0.304SS..SBendtrans-149-178.1174.571.10000110.4H221 E222S219-H221 PolarHBondContact O-N 3.19Å; S219-H221 PolarHBondContact OG-N 2.96Å; S219-E222 PolarHBondContact N-O 2.61Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.29Å
220D86.8Confident94.4Very high152 Ų15260.2 Ų60.281%0.81331%0.313SS*.SBendtrans-66.8-9.7172.6-64.9-23.6000113.4
221H91Very high94.4Very high144 Ų14455.4 Ų55.467%0.66730%0.298SS*.SBendtrans-115.4-15.6-176.2-56.8-40.6000113.4S219 P274 S275S219-H221 PolarHBondContact O-N 3.19Å; S219-H221 PolarHBondContact OG-N 2.96Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.04Å; H221-S275 PolarHBondContact O-N 2.97Å; H221-S275 PolarHBondContact O-OG 2.69Å
222E93.9Very high94.4Very high92 Ų9253.5 Ų53.543%0.4329%0.286SS..EExtended strand (participates in β ladder)trans-144.3143.7-171.4-66.2-179.7174.800112.3V218 S219 V272 V273 S275V218-E222 PolarHBondContact N-O 3.04Å; S219-E222 PolarHBondContact N-O 2.61Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.29Å; E222-V272 HydrophobicContact CB-CG1 4.14Å; E222-V272 HydrophobicContact CG-CG1 4.36Å; E222-V273 WeakPolarHBondContact CA-O 3.36Å; E222-S275 PolarHBondContact N-OG 2.82Å
223A94.2Very high94.4Very high1 Ų149.9 Ų49.91%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-131.8154.3171.400000110.6H215 H216 V272 V273H215-A223 WeakPolarHBondContact NE2-CB 3.18Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 VanDerWaalsContact O-CA 3.31Å; H216-A223 WeakPolarHBondContact O-CA 3.11Å; A223-V272 WeakPolarHBondContact O-CA 3.25Å; A223-V273 HydrophobicContact CB-CG2 4.35Å; A223-V273 PolarHBondContact N-O 2.8Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 3.12Å
224T96.1Very high94.4Very high22 Ų2249.2 Ų49.214%0.13527%0.268CS..EExtended strand (participates in β ladder)trans-96.6120.9168.2-54.80000109H216 V218 A270 V271H216-T224 PolarHBondContact N-O 2.93Å; H216-T224 PolarHBondContact O-N 3.17Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.47Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.22Å
225L96.7Very high94.4Very high0 Ų048.2 Ų48.20%026%0.263CS..EExtended strand (participates in β ladder)trans-93.2128.2164.9-64.6-177.8000108.8H215 W241 A270 V271 V273 E278 W298H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.62Å; L225-W241 HydrophobicContact CB-CZ2 3.92Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.1Å; L225-W241 HydrophobicContact CD1-CZ3 4.29Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; L225-V271 HydrophobicContact CB-CG1 4.31Å; L225-V271 PolarHBondContact N-O 2.95Å; L225-V271 PolarHBondContact O-N 2.04Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; L225-W298 HydrophobicContact CD1-CB 4.23Å; L225-W298 HydrophobicContact CD2-CB 3.95Å; L225-W298 HydrophobicContact CD2-CD2 4.31Å; L225-W298 HydrophobicContact CD2-CG 3.78Å
226R97.4Very high94.5Very high51 Ų5151.7 Ų51.719%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-123.5123.2175.8-179.6-174.7-59114.5-0.3110.3M213 T214 H216 W228 W268 A269 A270M213-R226 WeakPolarHBondContact CA-O 3.47Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 3.26Å; T214-R226 WeakPolarHBondContact OG1-CB 3.4Å; T214-R226 PolarHBondContact OG1-O 2.95Å; H216-R226 PolarHBondContact CD2-NH1 3.17Å; H216-R226 VanDerWaalsContact CD2-NH1 3.32Å; H216-R226 PolarHBondContact NE2-NH1 3.16Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.84Å; R226-W268 HydrophobicContact CG-CG 4.26Å; R226-A269 WeakPolarHBondContact CA-O 3.32Å; R226-A270 HydrophobicContact CB-CB 3.94Å; R226-A270 HydrophobicContact CG-CB 4.09Å
227C97.6Very high94.6Very high0 Ų048 Ų480%026%0.263CS..EExtended strand (participates in β ladder)trans-95.8122.7176.9-177.30000109.2W241 W268 A269 C283C227-W241 HydrophobicContact CB-CZ2 3.7Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.35Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.42Å; C227-A269 PolarHBondContact N-O 2.81Å; C227-A269 PolarHBondContact O-N 3.01Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.5Å; C227-C283 WeakPolarHBondContact SG-CB 3.42Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.41Å
228W98.1Very high94.9Very high44 Ų4446.7 Ų46.717%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-106.7141.6-178.9-68.389000110.7T211 H212 T214 R226 L230 W268T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-W228 WeakPolarHBondContact CB-O 3.49Å; H212-W228 AromaticContact CD2-CD1 3.88Å; H212-W228 WeakPolarHBondContact CE1-CB 3.34Å; H212-W228 AromaticContact CE1-CD1 3.76Å; H212-W228 AromaticContact CE1-CG 3.47Å; H212-W228 VanDerWaalsContact CE1-CG 3.47Å; H212-W228 PolarHBondContact N-O 3.1Å; H212-W228 AromaticContact NE2-CD1 3.37Å; H212-W228 AromaticContact NE2-CG 3.57Å; H212-W228 AromaticContact NE2-NE1 3.92Å; H212-W228 PolarHBondContact O-N 3.37Å; T214-W228 PolarHBondContact OG1-NE1 3.18Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.42Å; W228-W268 HydrophobicContact CE3-CB 3.82Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.1Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.24Å; W228-W268 HydrophobicContact CZ3-CB 4.24Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.01Å
229A98.4Very high95.3Very high0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-124.6122.1163.200000107.9P209 T211 F232 I237 L239 Q266 K267P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.36Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.21Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; A229-L239 HydrophobicContact CB-CD1 4.11Å; A229-L239 HydrophobicContact CB-CD2 4.26Å; A229-Q266 CarbonylContact O-C 3.56Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.29Å; A229-K267 PolarHBondContact N-O 3.05Å; A229-K267 PolarHBondContact O-N 3.33Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230L98.1Very high95.7Very high48 Ų4841.9 Ų41.925%0.25122%0.215SC..EExtended strand (participates in β ladder)trans-128.4155.6-175.7-58.7179000111.1K210 W228 F232 Q266K210-L230 PolarHBondContact N-O 3.25Å; K210-L230 PolarHBondContact O-N 2.91Å; W228-L230 HydrophobicContact CE3-CD2 3.98Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.42Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231S97.4Very high96.2Very high41 Ų4134.8 Ų34.829%0.28718%0.177SC..EExtended strand (participates in β ladder)trans5443.4171.4-55.40000113.8F265S231-F265 PolarHBondContact N-O 3.21Å
232F97.3Very high96.4Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-108.9157.9176.360.9-90000112.3D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287D207-F232 VanDerWaalsContact O-CA 3.29Å; D207-F232 WeakPolarHBondContact O-CA 3.22Å; D207-F232 WeakPolarHBondContact O-CB 3.44Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.95Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.21Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.42Å; F232-P234 VanDerWaalsContact CD2-O 3.26Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; F232-I237 HydrophobicContact CD1-CD1 3.94Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.83Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.05Å; F232-I237 HydrophobicContact CZ-CB 4.08Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.02Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.22Å; F232-F265 WeakPolarHBondContact CE1-O 3.34Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.38Å; F232-F265 PolarHBondContact O-N 3.17Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.57Å
233Y95.3Very high96.5Very high3 Ų329.3 Ų29.31%0.01215%0.148CC..BIsolated β-bridgetrans-152.1135.7173.9-179.5-85.1000108.9T55 R205 T206 D207 G263 F265 H287T55-Y233 PolarHBondContact OG1-OH 3.01Å; R205-Y233 HydrophobicContact CG-CD1 3.83Å; R205-Y233 HydrophobicContact CG-CE1 4.25Å; R205-Y233 WeakPolarHBondContact O-CD1 3.28Å; T206-Y233 WeakPolarHBondContact CA-O 3.4Å; T206-Y233 WeakPolarHBondContact CG2-O 3Å; D207-Y233 PolarHBondContact N-O 2.9Å; D207-Y233 PolarHBondContact O-N 3.33Å; Y233-G263 WeakPolarHBondContact CD2-O 3.19Å; Y233-F265 HydrophobicContact CD2-CD2 4.38Å; Y233-F265 AromaticContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CE2-CE2 4.32Å; Y233-H287 PolarHBondContact O-CE1 3.21Å
234P94.3Very high96.5Very high22 Ų2234 Ų3414%0.14317%0.173CC..SBendcis-74.8-175.54.832.1-37.4000114.2F232 E236 H287F232-P234 VanDerWaalsContact CD2-O 3.26Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.5Å; P234-H287 PolarHBondContact O-NE2 3.49Å
235A95.6Very high96.2Very high13 Ų1335.3 Ų35.311%0.10719%0.19CC..SBendtrans-71.8-23.4-177.100000113.7D54 I237 T257 F265D54-A235 HydrophobicContact CB-CB 4.13Å; D54-A235 VanDerWaalsContact CG-CB 3.44Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.16Å; A235-I237 PolarHBondContact O-N 3.02Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-T257 WeakPolarHBondContact O-CG2 3.29Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.74Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.75Å
236E94.9Very high96.1Very high139 Ų13941.4 Ų41.465%0.6522%0.219SC*.  trans-67.3113.1-178.7-171.758.5-14600110.6P234 H287P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.5Å; E236-H287 PolarHBondContact O-CD2 2.83Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å
237I95.8Very high95.9Very high10 Ų1043.8 Ų43.85%0.05124%0.235CC..  trans-149.1141.4-179.3-164.4171.1000109.6P209 A229 F232 A235 L239 K267 V285 Q286 H287P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; F232-I237 HydrophobicContact CD1-CD1 3.94Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.83Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.05Å; F232-I237 HydrophobicContact CZ-CB 4.08Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.49Å; F232-I237 VanDerWaalsContact CZ-CG2 3.49Å; A235-I237 PolarHBondContact O-N 3.02Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.19Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; I237-V285 HydrophobicContact CD1-CG1 3.95Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.22Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238T96.6Very high95.8Very high51 Ų5144.4 Ų44.431%0.31324%0.238SC..EExtended strand (participates in β ladder)trans-112.8123.4174.4-630000110.2T240 V285 Q286T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 2.93Å; T238-Q286 PolarHBondContact O-N 3.39Å
239L97.2Very high95.2Very high6 Ų647.7 Ų47.73%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-117.8122.1172.8-87.162.2000108.5A229 I237 L254 K267 A269 H284 V285A229-L239 HydrophobicContact CB-CD1 4.11Å; A229-L239 HydrophobicContact CB-CD2 4.26Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.11Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240T96.3Very high94.6Very high41 Ų4156.7 Ų56.725%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-131.1148.917660.10000111.7T238 C283 H284T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.34Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 2.84Å
241W97.2Very high93.9Very high3 Ų359.7 Ų59.71%0.01132%0.322CS..EExtended strand (participates in β ladder)trans-103.7137.8170.3-81.9102.5000110.3M213 L225 C227 Q248 A269 V271 T282 C283M213-W241 HydrophobicContact CE-CH2 3.25Å; M213-W241 HydrophobicContact CE-CZ2 4.06Å; M213-W241 HydrophobicContact CE-CZ3 3.68Å; M213-W241 HydrophobicContact SD-CH2 4.02Å; L225-W241 HydrophobicContact CB-CH2 3.62Å; L225-W241 HydrophobicContact CB-CZ2 3.92Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.1Å; L225-W241 HydrophobicContact CD1-CZ3 4.29Å; C227-W241 HydrophobicContact CB-CZ2 3.7Å; W241-Q248 HydrophobicContact CB-CB 4.21Å; W241-Q248 PolarHBondContact O-N 3.25Å; W241-A269 VanDerWaalsContact NE1-C 3.35Å; W241-A269 PolarHBondContact NE1-O 2.98Å; W241-V271 HydrophobicContact CD2-CB 4.31Å; W241-V271 HydrophobicContact CD2-CG1 3.54Å; W241-V271 HydrophobicContact CE3-CG1 3.82Å; W241-V271 HydrophobicContact CG-CB 4.14Å; W241-V271 HydrophobicContact CG-CG1 3.89Å; W241-V271 HydrophobicContact CH2-CG1 4.32Å; W241-V271 HydrophobicContact CZ2-CG1 4.09Å; W241-V271 HydrophobicContact CZ3-CG1 4.21Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.19Å; W241-C283 HydrophobicContact CH2-CB 4.12Å; W241-C283 HydrophobicContact CZ2-CB 4.14Å; W241-C283 HydrophobicContact CZ3-CB 4.13Å
242Q96.9Very high93.7Very high42 Ų4258.8 Ų58.820%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-124.1146.9171.2-68.5-172.8-10.300110.2E246 D247 Y281 T282 H284Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.5Å; Q242-D247 VanDerWaalsContact CG-OD1 3.27Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.32Å; Q242-T282 PolarHBondContact N-O 3.05Å; Q242-T282 PolarHBondContact O-N 2.95Å; Q242-H284 PolarHBondContact OE1-NE2 3.47Å
243R96.2Very high93.6Very high79 Ų7964.2 Ų64.230%0.29834%0.34SS..EExtended strand (participates in β ladder)trans-118.4116.7168.2-177.6-178.368.1-165.2-5.1108.4G245 E246 Q248 R280 Y281R243-G245 PolarHBondContact O-N 3.3Å; R243-E246 PolarHBondContact N-O 2.72Å; R243-E246 PolarHBondContact O-N 3.26Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-R280 WeakPolarHBondContact CA-O 3.4Å; R243-R280 HydrophobicContact CG-CB 4.32Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.96Å; R243-Y281 WeakPolarHBondContact CD-OH 3.36Å; R243-Y281 HydrophobicContact CG-CD2 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.2Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å
244D93.7Very high93.7Very high99 Ų9968.4 Ų68.453%0.52936%0.362SS..THydrogen-bonded Turntrans49.930.3-174.9-52.6-51000114.2R280D244-R280 PolarHBondContact N-O 3.01Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 2.98Å; D244-R280 IonicContact OD2-CZ 3.07Å; D244-R280 IonicContact OD2-NE 2.79Å; D244-R280 PolarHBondContact OD2-NE 3.49Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å
245G90.1Very high93.7Very high49 Ų4969 Ų6951%0.50537%0.365SS..THydrogen-bonded Turntrans90.9-2.3-177.700000115.6R243R243-G245 PolarHBondContact O-N 3.3Å
246E93.9Very high93.7Very high129 Ų12976.6 Ų76.660%0.60340%0.398SS*.EExtended strand (participates in β ladder)trans-95.1127.5175.1-63.3-175.5165.300111.7Q242 R243 Q248Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.5Å; R243-E246 PolarHBondContact N-O 2.72Å; R243-E246 PolarHBondContact O-N 3.26Å; E246-Q248 PolarHBondContact O-NE2 2.89Å
247D94Very high93.8Very high100 Ų10072.2 Ų72.254%0.53538%0.381SS..EExtended strand (participates in β ladder)trans-61.8136.9-180-68.1-28.8000112.5Q242Q242-D247 VanDerWaalsContact CG-OD1 3.27Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.9Å
248Q93.8Very high93.9Very high14 Ų1476.3 Ų76.37%0.06540%0.396CS..  trans-110.636.8-177.4-57.6-60.3-72.500112.4W241 R243 E246 Q250 D251 T252 Y281W241-Q248 HydrophobicContact CB-CB 4.21Å; W241-Q248 PolarHBondContact O-N 3.25Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 2.89Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.24Å; Q248-D251 PolarHBondContact O-N 2.97Å; Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 2.87Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 3.11Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249T85.8Confident93.9Very high112 Ų11278.4 Ų78.469%0.68741%0.41SS*.THydrogen-bonded Turntrans-58.4-37.2-169.7-46.40000114
250Q85.4Confident93.8Very high190 Ų19080.4 Ų80.489%0.88843%0.428SS*.THydrogen-bonded Turntrans-75.2-31.2-178-67.2-174.34.300113.2Q248 T252Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.24Å; Q250-T252 VanDerWaalsContact C-N 3.32Å
251D84.9Confident93.6Very high110 Ų11082.1 Ų82.159%0.58845%0.454SS*.THydrogen-bonded Turntrans-932.4-178.7-57.3-46.1000112.3Q248Q248-D251 PolarHBondContact O-N 2.97Å
252T93Very high93.3Very high23 Ų2387 Ų8714%0.14148%0.48CS..EExtended strand (participates in β ladder)trans-96.9122-179.3-64.50000110.8Q248 Q250 L254 A269 A270Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 2.87Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 3.11Å; Q250-T252 VanDerWaalsContact C-N 3.32Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.25Å; T252-A269 HydrophobicContact CG2-CB 3.99Å; T252-A270 CarbonylContact C-O 3.47Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.03Å
253E95.6Very high93.1Very high114 Ų11487 Ų8753%0.53349%0.49SS..EExtended strand (participates in β ladder)trans-78.2106163.1-173.8-174.8-170.800108.8W268 A269 A270E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.35Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.28Å; E253-A270 PolarHBondContact O-N 3.05Å
254L95.8Very high93.1Very high91 Ų9183.8 Ų83.848%0.47648%0.48SS..EExtended strand (participates in β ladder)trans-111.1120178.1-175.567.9000109.9L239 T252 K267 A269L239-L254 HydrophobicContact CB-CD1 4.11Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.25Å; L254-K267 HydrophobicContact CD1-CD 4.5Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255V95.8Very high93.3Very high34 Ų3480.2 Ų80.221%0.20646%0.46CS..PPolyproline II helixtrans-84.2152.3174.4-64.60000112.2K267 W268V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.8Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.59Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.12Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.15Å; V255-W268 PolarHBondContact N-O 3.18Å
256E95.6Very high93.6Very high173 Ų17380 Ų8081%0.80845%0.446SS*.PPolyproline II helixtrans-57.7150.3167-67.4-174.1167.500111.1R258E256-R258 PolarHBondContact O-N 2.62Å
257T97.2Very high93.9Very high46 Ų4674.9 Ų74.928%0.28242%0.421SS..PPolyproline II helixtrans-68.5130.2175.2-56.30000108.6F232 A235 F265 K267F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-T257 WeakPolarHBondContact O-CG2 3.29Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.17Å; T257-K267 PolarHBondContact OG1-NZ 3.36Å
258R96.3Very high94Very high97 Ų9771.3 Ų71.337%0.36640%0.4SS..EExtended strand (participates in β ladder)trans-123.6143.3-17569.3-165.8-179.3-178.35.6111.3E256 F265 Q266E256-R258 PolarHBondContact O-N 2.62Å; R258-F265 WeakPolarHBondContact O-CA 3.47Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.33Å; R258-Q266 VanDerWaalsContact NE-OE1 3.17Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 3.12Å
259P96.4Very high94.2Very high94 Ų9470.6 Ų70.661%0.6140%0.397SS*.EExtended strand (participates in β ladder)trans-68144.4176.428.3-34.1000110.9F265P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260A95.7Very high94.8Very high49 Ų4965.4 Ų65.441%0.40537%0.365SS..  trans-88.2-16.917400000113D262 T264 Q266A260-D262 WeakPolarHBondContact CB-OD1 3.16Å; A260-T264 WeakPolarHBondContact CB-O 3.5Å; A260-T264 PolarHBondContact N-O 3.42Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
261G92.4Very high95.3Very high77 Ų7756.4 Ų56.479%0.79432%0.324SS*.SBendtrans97-7.9178.900000114.9
262D91.8Very high95.9Very high106 Ų10654.7 Ų54.757%0.56732%0.317SS*.SBendtrans-105.713.6176.962.2-2.2000112.9A260 T264A260-D262 WeakPolarHBondContact CB-OD1 3.16Å; D262-T264 WeakPolarHBondContact OD1-CB 3.49Å; D262-T264 PolarHBondContact OD1-N 3.17Å; D262-T264 PolarHBondContact OD1-OG1 2.94Å
263G91.2Very high96Very high40 Ų4053.7 Ų53.741%0.41231%0.31SS..SBendtrans84.36.4-173.700000114.4Y233Y233-G263 WeakPolarHBondContact CD2-O 3.19Å
264T96.3Very high95.9Very high13 Ų1350.5 Ų50.58%0.0830%0.3CS..  trans-109.8172.5171.673.40000112.2F232 A260 D262F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.5Å; A260-T264 PolarHBondContact N-O 3.42Å; D262-T264 WeakPolarHBondContact OD1-CB 3.49Å; D262-T264 PolarHBondContact OD1-N 3.17Å; D262-T264 PolarHBondContact OD1-OG1 2.94Å
265F97.8Very high95.6Very high24 Ų2448.8 Ų48.811%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-120.1163-177.6-62.9-84.6000112.4D54 S231 F232 Y233 A235 T257 R258 P259D54-F265 HydrophobicContact CB-CE1 4.5Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.5Å; D54-F265 VanDerWaalsContact CB-CZ 3.5Å; S231-F265 PolarHBondContact N-O 3.21Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.02Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.22Å; F232-F265 WeakPolarHBondContact CE1-O 3.34Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.38Å; F232-F265 PolarHBondContact O-N 3.17Å; Y233-F265 HydrophobicContact CD2-CD2 4.38Å; Y233-F265 AromaticContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CD2-CE2 3.91Å; Y233-F265 HydrophobicContact CE2-CE2 4.32Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.74Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.75Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.47Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
266Q98Very high95.3Very high44 Ų4450.4 Ų50.421%0.20632%0.319CS..EExtended strand (participates in β ladder)trans-142.1146.9174.239.7165.3-15.500110A229 L230 R258 A260A229-Q266 CarbonylContact O-C 3.56Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.29Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.33Å; R258-Q266 VanDerWaalsContact NE-OE1 3.17Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 3.12Å; A260-Q266 HydrophobicContact CB-CG 4.46Å
267K98.4Very high95.2Very high21 Ų2145.2 Ų45.29%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-151.5154.2177.1-162.1-176.8-171.870.80109A229 F232 I237 L239 L254 V255 T257A229-K267 PolarHBondContact N-O 3.05Å; A229-K267 PolarHBondContact O-N 3.33Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.15Å; I237-K267 HydrophobicContact CG2-CB 4.19Å; I237-K267 HydrophobicContact CG2-CD 3.53Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.5Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.44Å; V255-K267 PolarHBondContact O-NZ 2.8Å; T257-K267 WeakPolarHBondContact OG1-CD 3.17Å; T257-K267 PolarHBondContact OG1-NZ 3.36Å
268W97.9Very high95Very high25 Ų2544 Ų4410%0.09529%0.286CS..EExtended strand (participates in β ladder)trans-143.9157.4169.859-98.1000111.4R226 C227 W228 E253 V255 A270R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.84Å; R226-W268 HydrophobicContact CG-CG 4.26Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.35Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.42Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.42Å; W228-W268 HydrophobicContact CE3-CB 3.82Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.1Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.24Å; W228-W268 HydrophobicContact CZ3-CB 4.24Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.01Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.35Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.59Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.12Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.15Å; V255-W268 PolarHBondContact N-O 3.18Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
269A97.8Very high94.8Very high0 Ų043.9 Ų43.90%029%0.29CS..EExtended strand (participates in β ladder)trans-131131.8174.200000108.6R226 C227 L239 W241 T252 E253 L254R226-A269 WeakPolarHBondContact CA-O 3.32Å; C227-A269 PolarHBondContact N-O 2.81Å; C227-A269 PolarHBondContact O-N 3.01Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 VanDerWaalsContact NE1-C 3.35Å; W241-A269 PolarHBondContact NE1-O 2.98Å; T252-A269 HydrophobicContact CG2-CB 3.99Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270A97.2Very high94.7Very high2 Ų244.5 Ų44.52%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-122.6146.4179.500000111.9T224 L225 R226 T252 E253 W268T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; R226-A270 HydrophobicContact CB-CB 3.94Å; R226-A270 HydrophobicContact CG-CB 4.09Å; T252-A270 CarbonylContact C-O 3.47Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.03Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.28Å; E253-A270 PolarHBondContact O-N 3.05Å; W268-A270 HydrophobicContact CE3-CB 4Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
271V96.9Very high94.7Very high2 Ų242.5 Ų42.51%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-136.2141.6175.964.30000109T224 L225 W241 V273 Y281T224-V271 WeakPolarHBondContact CA-O 3.22Å; L225-V271 HydrophobicContact CB-CG1 4.31Å; L225-V271 PolarHBondContact N-O 2.95Å; L225-V271 PolarHBondContact O-N 2.04Å; W241-V271 HydrophobicContact CD2-CB 4.31Å; W241-V271 HydrophobicContact CD2-CG1 3.54Å; W241-V271 HydrophobicContact CE3-CG1 3.82Å; W241-V271 HydrophobicContact CG-CB 4.14Å; W241-V271 HydrophobicContact CG-CG1 3.89Å; W241-V271 HydrophobicContact CH2-CG1 4.32Å; W241-V271 HydrophobicContact CZ2-CG1 4.09Å; W241-V271 HydrophobicContact CZ3-CG1 4.21Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.29Å; V271-Y281 HydrophobicContact CG2-CE1 3.96Å
272V96.3Very high95Very high74 Ų7439.3 Ų39.345%0.44823%0.227SC..EExtended strand (participates in β ladder)trans-83.8127.6171.2-178.10000108.2E222 A223E222-V272 HydrophobicContact CB-CG1 4.14Å; E222-V272 HydrophobicContact CG-CG1 4.36Å; A223-V272 WeakPolarHBondContact O-CA 3.25Å
273V95.2Very high95.2Very high1 Ų134.3 Ų34.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-125.3142.4-176.8-52.60000110.4E222 A223 L225 V271 E278 Y281E222-V273 WeakPolarHBondContact CA-O 3.36Å; A223-V273 HydrophobicContact CB-CG2 4.35Å; A223-V273 PolarHBondContact N-O 2.8Å; A223-V273 WeakPolarHBondContact O-CG2 3.45Å; A223-V273 PolarHBondContact O-N 3.12Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.77Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.6Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å
274P94.6Very high95.5Very high47 Ų4734 Ų3431%0.30519%0.188SC..EExtended strand (participates in β ladder)trans-63.3139.9169.9-20.332.3000110.9H221 G276 Q277H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.04Å; P274-G276 PolarHBondContact O-N 2.86Å; P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.13Å; P274-Q277 WeakPolarHBondContact O-CB 3.18Å; P274-Q277 PolarHBondContact O-N 3.22Å
275S89.4Confident95.6Very high55 Ų5533.3 Ų33.339%0.38518%0.184SC..THydrogen-bonded Turntrans-56.5131.9177.1-61.60000111.3H221 E222 Q277 E278H221-S275 PolarHBondContact O-N 2.97Å; H221-S275 PolarHBondContact O-OG 2.69Å; E222-S275 PolarHBondContact N-OG 2.82Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.37Å
276G88.6Confident95.5Very high69 Ų6935.6 Ų35.671%0.71120%0.195SC*.THydrogen-bonded Turntrans84.8-3.6-176.900000114.8P274 E278P274-G276 PolarHBondContact O-N 2.86Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.88Å; G276-E278 PolarHBondContact N-OE2 3.17Å
277Q93.1Very high95.4Very high63 Ų6334.2 Ų34.229%0.29419%0.188SC..  trans-103.94.6175.6-59.8-167.337.300113.4P274 S275 Q279 R280 Y281P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.13Å; P274-Q277 WeakPolarHBondContact O-CB 3.18Å; P274-Q277 PolarHBondContact O-N 3.22Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 2.95Å; Q277-Q279 VanDerWaalsContact O-N 3.1Å; Q277-R280 WeakPolarHBondContact O-CB 3.5Å; Q277-R280 PolarHBondContact O-N 3.4Å; Q277-Y281 HydrophobicContact CB-CE2 4.43Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.34Å
278E93.2Very high95.1Very high20 Ų2038 Ų389%0.09321%0.206CC..G310 helixtrans-54.3-36.7-174.1-59.179.1-175.600112.1L225 V273 S275 G276 R280 Y281 W298L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.37Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.32Å; G276-E278 PolarHBondContact N-OE1 2.88Å; G276-E278 PolarHBondContact N-OE2 3.17Å; E278-R280 PolarHBondContact O-N 3.43Å; E278-Y281 PolarHBondContact O-N 3.2Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; E278-W298 HydrophobicContact CB-CD2 4.25Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.94Å; E278-W298 HydrophobicContact CG-CE3 3.89Å; E278-W298 HydrophobicContact CG-CZ3 4Å
279Q92.6Very high94.8Very high95 Ų9537.7 Ų37.744%0.44421%0.211SC..G310 helixtrans-68.1-19.2-179.3-64.9-58.2-40.600114.5Q277 W298Q277-Q279 PolarHBondContact O-N 2.95Å; Q277-Q279 VanDerWaalsContact O-N 3.1Å; Q279-W298 PolarHBondContact NE2-O 3.39Å
280R95Very high94.7Very high108 Ų10838.9 Ų38.941%0.40822%0.217SC..G310 helixtrans-77.1-16.5175.8-63.2175.267.2-175.37.7112R243 D244 Q277 E278R243-R280 WeakPolarHBondContact CA-O 3.4Å; R243-R280 HydrophobicContact CG-CB 4.32Å; D244-R280 PolarHBondContact N-O 3.01Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 2.98Å; D244-R280 IonicContact OD2-CZ 3.07Å; D244-R280 IonicContact OD2-NE 2.79Å; D244-R280 PolarHBondContact OD2-NE 3.49Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å; Q277-R280 WeakPolarHBondContact O-CB 3.5Å; Q277-R280 PolarHBondContact O-N 3.4Å; E278-R280 PolarHBondContact O-N 3.43Å
281Y96Very high94.5Very high7 Ų745 Ų453%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-96.9131.4-177.6-69.2-102.4000110.9Q242 R243 Q248 V271 V273 Q277 E278Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.32Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.96Å; R243-Y281 WeakPolarHBondContact CD-OH 3.36Å; R243-Y281 HydrophobicContact CG-CD2 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.2Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.29Å; V271-Y281 HydrophobicContact CG2-CE1 3.96Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.77Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.69Å; V273-Y281 HydrophobicContact CG1-CE2 3.6Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å; Q277-Y281 HydrophobicContact CB-CE2 4.43Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.34Å; E278-Y281 PolarHBondContact O-N 3.2Å; E278-Y281 VanDerWaalsContact O-N 3.14Å
282T97.1Very high94.3Very high10 Ų1052.8 Ų52.86%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-124.4135.4175.946.20000110.4W241 Q242 H284 T295 L296 R297W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.48Å; Q242-T282 PolarHBondContact N-O 3.05Å; Q242-T282 PolarHBondContact O-N 2.95Å; T282-H284 PolarHBondContact OG1-NE2 3.09Å; T282-T295 HydrophobicContact CG2-CG2 3.87Å; T282-L296 WeakPolarHBondContact CA-O 3.41Å; T282-R297 HydrophobicContact CG2-CG 3.52Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å
283C97.4Very high94.2Very high0 Ų052.9 Ų52.90%029%0.293CS..EExtended strand (participates in β ladder)trans-95.8129.2169.1174.90000109.4M213 C227 T240 W241 T295 L296M213-C283 HydrophobicContact CE-CB 3.39Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.5Å; C227-C283 WeakPolarHBondContact SG-CB 3.42Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.41Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.34Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.19Å; W241-C283 HydrophobicContact CH2-CB 4.12Å; W241-C283 HydrophobicContact CZ2-CB 4.14Å; W241-C283 HydrophobicContact CZ3-CB 4.13Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 3.39Å
284H97.2Very high94.2Very high33 Ų3355.8 Ų55.815%0.15331%0.308CS..EExtended strand (participates in β ladder)trans-107.8128.5176.9-63-104.3000109.4L239 T240 Q242 T282 L294 T295L239-H284 WeakPolarHBondContact CA-O 3.49Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 2.84Å; Q242-H284 PolarHBondContact OE1-NE2 3.47Å; T282-H284 PolarHBondContact OG1-NE2 3.09Å; H284-L294 CarbonylContact C-O 3.44Å; H284-L294 WeakPolarHBondContact CA-O 3.46Å; H284-T295 PolarHBondContact ND1-OG1 2.89Å
285V97.6Very high94.3Very high0 Ų057.3 Ų57.30%032%0.317CS..EExtended strand (participates in β ladder)trans-120.5120.1-179-174.60000108.8P209 T211 I237 T238 L239 L290 P293 L294 L296P209-V285 HydrophobicContact CG-CG1 3.99Å; T211-V285 HydrophobicContact CG2-CG1 4.28Å; T211-V285 HydrophobicContact CG2-CG2 4.13Å; I237-V285 HydrophobicContact CD1-CG1 3.95Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; V285-P293 WeakPolarHBondContact O-CA 3.34Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.95Å; V285-L294 PolarHBondContact O-N 3.43Å; V285-L296 HydrophobicContact CG2-CD1 3.96Å
286Q96.9Very high94.6Very high71 Ų7156.3 Ų56.333%0.33231%0.307SS..EExtended strand (participates in β ladder)trans-116.5129.1173.9-51.2-178.22600109I237 T238 P293I237-Q286 WeakPolarHBondContact CG1-O 3.22Å; T238-Q286 PolarHBondContact N-O 2.93Å; T238-Q286 PolarHBondContact O-N 3.39Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.11Å
287H95.3Very high94.8Very high16 Ų1660.5 Ų60.57%0.07430%0.301CS..  trans-156.1145.4-178.7-175.5-100.5000108.2D207 P209 F232 Y233 P234 E236 I237 G289 L290D207-H287 PolarHBondContact O-CE1 3.02Å; P209-H287 HydrophobicContact CG-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.78Å; F232-H287 AromaticContact CD2-NE2 3.57Å; Y233-H287 PolarHBondContact O-CE1 3.21Å; P234-H287 PolarHBondContact O-NE2 3.49Å; E236-H287 PolarHBondContact O-CD2 2.83Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 WeakPolarHBondContact ND1-CA 3.39Å; H287-G289 PolarHBondContact ND1-N 3.26Å; H287-G289 PolarHBondContact O-N 3.44Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.31Å; H287-L290 PolarHBondContact O-N 3.3Å
288E91.9Very high94.8Very high99 Ų9959.7 Ų59.746%0.46330%0.295SS..THydrogen-bonded Turntrans-58.8-33.1-179.4-175.4175.5-172.100112.5T206 L290T206-E288 HydrophobicContact CG2-CB 3.98Å; T206-E288 HydrophobicContact CG2-CG 4.07Å; E288-L290 PolarHBondContact O-N 2.91Å; E288-L290 VanDerWaalsContact O-N 3.15Å
289G92.4Very high94.3Very high20 Ų2066.5 Ų66.521%0.20633%0.328CS..THydrogen-bonded Turntrans-70.5-5.5177.400000114.4A208 H287A208-G289 WeakPolarHBondContact CB-O 3.03Å; H287-G289 WeakPolarHBondContact ND1-CA 3.39Å; H287-G289 PolarHBondContact ND1-N 3.26Å; H287-G289 PolarHBondContact O-N 3.44Å
290L94.7Very high93.5Very high24 Ų2465.8 Ų65.813%0.12633%0.331CS..SBendtrans-102124.8176.5-64.3170.6000109.8A208 P209 V285 H287 E288 K292 L294A208-L290 HydrophobicContact CB-CD2 3.98Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.18Å; V285-L290 HydrophobicContact CG1-CD1 4.17Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.31Å; H287-L290 PolarHBondContact O-N 3.3Å; E288-L290 PolarHBondContact O-N 2.91Å; E288-L290 VanDerWaalsContact O-N 3.15Å; L290-K292 WeakPolarHBondContact CB-O 3.11Å; L290-K292 PolarHBondContact O-N 3.43Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 3.84Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.56Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.36Å; L290-L294 HydrophobicContact CG-CG 4.42Å
291P92.2Very high91.9Very high131 Ų13165.6 Ų65.685%0.85135%0.346SS*.SBendtrans-64.9-23.6178.126.9-34.9000112.5
292K93.1Very high89.6Confident165 Ų16570.6 Ų70.672%0.71738%0.382SS*.SBendtrans-145.9150.4173.3-64.3-176.9-177.5176.70109L290 L294L290-K292 WeakPolarHBondContact CB-O 3.11Å; L290-K292 PolarHBondContact O-N 3.43Å; K292-L294 PolarHBondContact O-N 3.07Å
293P94.9Very high87.1Confident77 Ų7777.9 Ų77.950%0.542%0.415SS..  trans-50.3137.1171.2-28.536.5000112V285 Q286V285-P293 WeakPolarHBondContact O-CA 3.34Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.11Å
294L95.9Very high84.5Confident62 Ų6282.8 Ų82.833%0.32545%0.448SS..EExtended strand (participates in β ladder)trans-89.8138.5173.5-67.9176.9000109.8T211 H284 V285 L290 K292T211-L294 HydrophobicContact CG2-CD1 4.46Å; H284-L294 CarbonylContact C-O 3.44Å; H284-L294 WeakPolarHBondContact CA-O 3.46Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.95Å; V285-L294 PolarHBondContact O-N 3.43Å; L290-L294 HydrophobicContact CD1-CB 4.41Å; L290-L294 HydrophobicContact CD1-CD1 3.84Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.56Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.36Å; L290-L294 HydrophobicContact CG-CG 4.42Å; K292-L294 PolarHBondContact O-N 3.07Å
295T96.6Very high82.3Confident79 Ų7987.7 Ų87.749%0.48548%0.48SS..EExtended strand (participates in β ladder)trans-116.8117.1170.9-56.10000108.2T282 C283 H284T282-T295 HydrophobicContact CG2-CG2 3.87Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.36Å; H284-T295 PolarHBondContact ND1-OG1 2.89Å
296L95.3Very high80.2Confident34 Ų3492.5 Ų92.518%0.17851%0.505CS..EExtended strand (participates in β ladder)trans-105.2139.3-179.5-63.9154.6000109.2T211 M213 T282 C283 V285T211-L296 HydrophobicContact CG2-CD1 4.09Å; M213-L296 HydrophobicContact CE-CB 3.66Å; M213-L296 VanDerWaalsContact CE-O 3.26Å; M213-L296 WeakPolarHBondContact CE-O 3.21Å; M213-L296 HydrophobicContact CG-CB 4.47Å; M213-L296 HydrophobicContact SD-CB 4.5Å; T282-L296 WeakPolarHBondContact CA-O 3.41Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 3.39Å; V285-L296 HydrophobicContact CG2-CD1 3.96Å
297R93.5Very high78.3Confident157 Ų15793.3 Ų93.359%0.59252%0.516SS*.EExtended strand (participates in β ladder)trans-119.3151.9167.3-73.8-176.5178.3162.4-0.6108.8T282 E299T282-R297 HydrophobicContact CG2-CG 3.52Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å; R297-E299 PolarHBondContact O-N 2.89Å
298W91.3Very high76.7Confident45 Ų4597.9 Ų97.917%0.1754%0.54CS..  trans-71.9125.6174.4174.971.6000108.8M213 H215 L225 E278 Q279 P300M213-W298 VanDerWaalsContact SD-CA 3.5Å; M213-W298 HydrophobicContact SD-CB 3.82Å; M213-W298 PolarHBondContact SD-N 2.68Å; H215-W298 HydrophobicContact CB-CZ2 4.17Å; H215-W298 AromaticContact CG-CZ2 3.98Å; H215-W298 AromaticContact CG-NE1 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.23Å; L225-W298 HydrophobicContact CD2-CB 3.95Å; L225-W298 HydrophobicContact CD2-CD2 4.31Å; L225-W298 HydrophobicContact CD2-CG 3.78Å; E278-W298 HydrophobicContact CB-CD2 4.25Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.94Å; E278-W298 HydrophobicContact CG-CE3 3.89Å; E278-W298 HydrophobicContact CG-CZ3 4Å; Q279-W298 PolarHBondContact NE2-O 3.39Å; W298-P300 HydrophobicContact CE3-CG 4.33Å; W298-P300 HydrophobicContact CH2-CB 3.86Å; W298-P300 HydrophobicContact CH2-CG 3.69Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.27Å; W298-P300 HydrophobicContact CZ3-CB 4.39Å; W298-P300 HydrophobicContact CZ3-CG 3.72Å
299E83Confident75.3Confident164 Ų16498.9 Ų98.977%0.76655%0.552SS**  trans-108.7127169.5-75-178.9177.700108.4R297 S301R297-E299 PolarHBondContact O-N 2.89Å; E299-S301 PolarHBondContact O-N 2.9Å
300P76.9Confident74.2Confident80 Ų80100 Ų10052%0.51957%0.565SS.*  trans-57.5124.8171.1-13.423000108.2W298 S302W298-P300 HydrophobicContact CE3-CG 4.33Å; W298-P300 HydrophobicContact CH2-CB 3.86Å; W298-P300 HydrophobicContact CH2-CG 3.69Å; W298-P300 HydrophobicContact CZ2-CB 4.08Å; W298-P300 HydrophobicContact CZ2-CG 4.27Å; W298-P300 HydrophobicContact CZ3-CB 4.39Å; W298-P300 HydrophobicContact CZ3-CG 3.72Å; P300-S302 PolarHBondContact O-N 3.13Å
301S60.6Low73.2Confident103 Ų103103.3 Ų103.372%0.7258%0.581SS**  trans-56.911117860.90000109.1E299 Q303E299-S301 PolarHBondContact O-N 2.9Å; S301-Q303 PolarHBondContact O-N 2.88Å
302S46.8Very low72.3Confident113 Ų113101.7 Ų101.779%0.7956%0.564SS**  trans-74.667.916750.20000108.2P300 P304P300-S302 PolarHBondContact O-N 3.13Å; S302-P304 WeakPolarHBondContact O-CD 3.44Å; S302-P304 VanDerWaalsContact O-N 3.17Å
303Q45.2Very low71.6Confident162 Ų16296.2 Ų96.276%0.75755%0.55SS*.  trans-65112.6153.7-82.2-169.5-23.300105S301 T305S301-Q303 PolarHBondContact O-N 2.88Å; Q303-T305 PolarHBondContact O-N 2.83Å
304P43.4Very low70.9Confident104 Ų10494.4 Ų94.468%0.67555%0.545SS*.  trans-58.311916625.1-29.5000104.7S302 I306S302-P304 WeakPolarHBondContact O-CD 3.44Å; S302-P304 VanDerWaalsContact O-N 3.17Å; P304-I306 PolarHBondContact O-N 2.74Å
305T50.5Low70.3Confident135 Ų13597.1 Ų97.183%0.82856%0.56SS**  trans-62.183162.3-37.40000104.8Q303 P307Q303-T305 PolarHBondContact O-N 2.83Å; T305-P307 WeakPolarHBondContact O-CD 3.34Å
306I54.6Low69.7Low102 Ų10298 Ų9852%0.52357%0.565SS.*  trans-51.2120.2168.2-63.8175000102.7P304 I308 I311P304-I306 PolarHBondContact O-N 2.74Å; I306-I308 HydrophobicContact CB-CG1 4.49Å; I306-I308 HydrophobicContact CG2-CG1 4.33Å; I306-I308 WeakPolarHBondContact O-CG1 3.17Å; I306-I308 PolarHBondContact O-N 3.32Å; I306-I311 HydrophobicContact CG2-CD1 3.9Å
307P56.7Low69.1Low88 Ų88102.2 Ų102.257%0.57159%0.587SS**  trans-74.177-175.529.9-33000106.8T305 V309 G310 I311T305-P307 WeakPolarHBondContact O-CD 3.34Å; P307-V309 PolarHBondContact O-N 3Å; P307-V309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 3.15Å; P307-I311 PolarHBondContact O-N 2.98Å; P307-I311 VanDerWaalsContact O-N 3.11Å
308I61.3Low68.4Low111 Ų111101.4 Ų101.457%0.56959%0.588SS**Hα-helixtrans-55-34.4178.6-68.6165.4000108.4I306 G310 I311 I312I306-I308 HydrophobicContact CB-CG1 4.49Å; I306-I308 HydrophobicContact CG2-CG1 4.33Å; I306-I308 WeakPolarHBondContact O-CG1 3.17Å; I306-I308 PolarHBondContact O-N 3.32Å; I308-G310 PolarHBondContact O-N 3.18Å; I308-I311 PolarHBondContact O-N 2.82Å; I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 4.33Å; I308-I312 WeakPolarHBondContact O-CB 3.49Å; I308-I312 WeakPolarHBondContact O-CG1 3.45Å; I308-I312 PolarHBondContact O-N 3.48Å
309V63.4Low67.9Low120 Ų120100.7 Ų100.773%0.72760%0.595SS**Hα-helixtrans-61.8-41.2173.2-176.20000112.5P307 A313P307-V309 PolarHBondContact O-N 3Å; P307-V309 VanDerWaalsContact O-N 3.15Å; V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.35Å; V309-A313 PolarHBondContact O-N 2.84Å
310G67.9Low67.8Low45 Ų4595.9 Ų95.946%0.46458%0.583SS.*Hα-helixtrans-68.8-38178.300000112.8P307 I308 G314P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 3.15Å; I308-G310 PolarHBondContact O-N 3.18Å; G310-G314 PolarHBondContact O-N 3.3Å
311I73.4Confident68.1Low93 Ų9396.9 Ų96.948%0.47759%0.587SS.*Hα-helixtrans-68.3-43.9175.8-61.8173.4000110.5I306 P307 I308 G314 L315I306-I311 HydrophobicContact CG2-CD1 3.9Å; P307-I311 PolarHBondContact O-N 2.98Å; P307-I311 VanDerWaalsContact O-N 3.11Å; I308-I311 PolarHBondContact O-N 2.82Å; I311-G314 PolarHBondContact O-N 3.09Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.36Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 2.7Å
312I75.1Confident69.1Low97 Ų9796.3 Ų96.350%0.49758%0.575SS.*Hα-helixtrans-64-46.6177.1-68.1168.4000110.7I308 G314 L315 V316I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 4.33Å; I308-I312 WeakPolarHBondContact O-CB 3.49Å; I308-I312 WeakPolarHBondContact O-CG1 3.45Å; I308-I312 PolarHBondContact O-N 3.48Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 3.41Å; I312-L315 PolarHBondContact O-N 3.05Å; I312-V316 HydrophobicContact CG2-CG2 4.31Å; I312-V316 WeakPolarHBondContact O-CB 3.1Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.43Å; I312-V316 PolarHBondContact O-N 3.15Å
313A76.4Confident70.5Confident49 Ų4995.1 Ų95.141%0.40556%0.563SS.*Hα-helixtrans-60.3-41.717700000111.8V309 V316 L317V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.35Å; V309-A313 PolarHBondContact O-N 2.84Å; A313-V316 PolarHBondContact O-N 3.47Å; A313-L317 WeakPolarHBondContact O-CB 3.37Å; A313-L317 WeakPolarHBondContact O-CG 3.49Å; A313-L317 PolarHBondContact O-N 2.95Å
314G80.6Confident72.1Confident40 Ų4089.4 Ų89.441%0.41255%0.548SS..Hα-helixtrans-61.6-45.9174.900000112.9G310 I311 I312 L317 F318G310-G314 PolarHBondContact O-N 3.3Å; I311-G314 PolarHBondContact O-N 3.09Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 3.41Å; G314-L317 PolarHBondContact O-N 3.43Å; G314-F318 WeakPolarHBondContact O-CB 3.29Å; G314-F318 PolarHBondContact O-N 3.02Å
315L84.3Confident73.8Confident119 Ų11987.2 Ų87.262%0.62354%0.539SS*.Hα-helixtrans-66.1-39.5178.4-73.7170.3000112.6I311 I312 F318 G319I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.36Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 2.7Å; I312-L315 PolarHBondContact O-N 3.05Å; L315-F318 PolarHBondContact O-N 2.93Å; L315-G319 PolarHBondContact O-N 2.82Å
316V83.4Confident75.2Confident98 Ų9884.8 Ų84.859%0.59452%0.523SS*.Hα-helixtrans-65.1-44.5176.5171.10000110.9I312 A313 G319 A320I312-V316 HydrophobicContact CG2-CG2 4.31Å; I312-V316 WeakPolarHBondContact O-CB 3.1Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.43Å; I312-V316 PolarHBondContact O-N 3.15Å; A313-V316 PolarHBondContact O-N 3.47Å; V316-G319 PolarHBondContact O-N 3.27Å; V316-A320 WeakPolarHBondContact O-CB 3.5Å; V316-A320 PolarHBondContact O-N 2.85Å
317L81.8Confident76.4Confident121 Ų12183.8 Ų83.863%0.63452%0.522SS*.Hα-helixtrans-62.6-44.5175.6-78167.1000111.6A313 G314 G319 A320 V321A313-L317 WeakPolarHBondContact O-CB 3.37Å; A313-L317 WeakPolarHBondContact O-CG 3.49Å; A313-L317 PolarHBondContact O-N 2.95Å; G314-L317 PolarHBondContact O-N 3.43Å; L317-G319 PolarHBondContact O-N 3.28Å; L317-A320 PolarHBondContact O-N 3.45Å; L317-V321 WeakPolarHBondContact O-CG2 2.82Å; L317-V321 PolarHBondContact O-N 3.3Å
318F80.1Confident77.2Confident140 Ų14082.4 Ų82.461%0.61452%0.518SS*.Hα-helixtrans-63.9-42.2178.8-153.4-98.9000111.7G314 L315 V321 I322G314-F318 WeakPolarHBondContact O-CB 3.29Å; G314-F318 PolarHBondContact O-N 3.02Å; L315-F318 PolarHBondContact O-N 2.93Å; F318-V321 PolarHBondContact O-N 2.9Å; F318-I322 HydrophobicContact CD1-CD1 3.78Å; F318-I322 HydrophobicContact CD1-CG1 4.36Å; F318-I322 HydrophobicContact CE1-CD1 3.65Å; F318-I322 HydrophobicContact CE1-CG1 4.36Å; F318-I322 WeakPolarHBondContact O-CG1 3.3Å; F318-I322 PolarHBondContact O-N 2.86Å
319G80.4Confident77.9Confident31 Ų3179.8 Ų79.832%0.3251%0.513SS..Hα-helixtrans-59.6-46173.100000112.3L315 V316 L317 V321 I322 T323L315-G319 PolarHBondContact O-N 2.82Å; V316-G319 PolarHBondContact O-N 3.27Å; L317-G319 PolarHBondContact O-N 3.28Å; G319-V321 PolarHBondContact O-N 3.15Å; G319-I322 PolarHBondContact O-N 2.85Å; G319-T323 WeakPolarHBondContact O-CB 3.35Å; G319-T323 PolarHBondContact O-N 3.15Å; G319-T323 PolarHBondContact O-OG1 3.18Å
320A80.7Confident78.4Confident62 Ų6277.9 Ų77.951%0.51250%0.501SS..Hα-helixtrans-61.8-41.317800000112.5V316 L317 T323 G324V316-A320 WeakPolarHBondContact O-CB 3.5Å; V316-A320 PolarHBondContact O-N 2.85Å; L317-A320 PolarHBondContact O-N 3.45Å; A320-T323 PolarHBondContact O-N 2.72Å; A320-G324 PolarHBondContact O-N 3Å
321V83.4Confident78.7Confident102 Ų10281.9 Ų81.962%0.61851%0.509SS*.Hα-helixtrans-64.3-46177.1172.10000111.4L317 F318 G319 T323 G324 A325L317-V321 WeakPolarHBondContact O-CG2 2.82Å; L317-V321 PolarHBondContact O-N 3.3Å; F318-V321 PolarHBondContact O-N 2.9Å; G319-V321 PolarHBondContact O-N 3.15Å; V321-T323 VanDerWaalsContact C-N 3.34Å; V321-T323 PolarHBondContact O-N 2.84Å; V321-G324 PolarHBondContact O-N 2.86Å; V321-A325 WeakPolarHBondContact O-CB 3.5Å; V321-A325 PolarHBondContact O-N 2.94Å
322I80.7Confident78.7Confident91 Ų9187.3 Ų87.347%0.46752%0.524SS..Hα-helixtrans-61.8-45.4177.3-70.7-176000110.4F318 G319 G324 A325 V326F318-I322 HydrophobicContact CD1-CD1 3.78Å; F318-I322 HydrophobicContact CD1-CG1 4.36Å; F318-I322 HydrophobicContact CE1-CD1 3.65Å; F318-I322 HydrophobicContact CE1-CG1 4.36Å; F318-I322 WeakPolarHBondContact O-CG1 3.3Å; F318-I322 PolarHBondContact O-N 2.86Å; G319-I322 PolarHBondContact O-N 2.85Å; I322-G324 VanDerWaalsContact C-N 3.34Å; I322-G324 PolarHBondContact O-N 3.43Å; I322-A325 PolarHBondContact O-N 3.13Å; I322-V326 HydrophobicContact CG2-CG2 4.36Å; I322-V326 VanDerWaalsContact O-CG2 3.31Å; I322-V326 WeakPolarHBondContact O-CG2 3.45Å; I322-V326 PolarHBondContact O-N 3.14Å
323T76.9Confident78.3Confident87 Ų8792.2 Ų92.253%0.53454%0.536SS..Hα-helixtrans-62.9-43.1-179.7-40.40000110.9G319 A320 V321 V326 V327G319-T323 WeakPolarHBondContact O-CB 3.35Å; G319-T323 PolarHBondContact O-N 3.15Å; G319-T323 PolarHBondContact O-OG1 3.18Å; A320-T323 PolarHBondContact O-N 2.72Å; V321-T323 VanDerWaalsContact C-N 3.34Å; V321-T323 PolarHBondContact O-N 2.84Å; T323-V326 PolarHBondContact O-N 3.27Å; T323-V327 VanDerWaalsContact O-CG2 3.31Å; T323-V327 WeakPolarHBondContact O-CG2 3.19Å; T323-V327 PolarHBondContact O-N 3.26Å
324G79.3Confident77.6Confident43 Ų4399.1 Ų99.144%0.44355%0.552SS.*Hα-helixtrans-61.3-43.6174.500000113A320 V321 I322 V327 A328A320-G324 PolarHBondContact O-N 3Å; V321-G324 PolarHBondContact O-N 2.86Å; I322-G324 VanDerWaalsContact C-N 3.34Å; I322-G324 PolarHBondContact O-N 3.43Å; G324-V327 PolarHBondContact O-N 3.1Å; G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 3.27Å
325A79.5Confident76.4Confident58 Ų58105.9 Ų105.948%0.47957%0.57SS.*Hα-helixtrans-64.3-41.1177.500000112.3V321 I322 A328 A329V321-A325 WeakPolarHBondContact O-CB 3.5Å; V321-A325 PolarHBondContact O-N 2.94Å; I322-A325 PolarHBondContact O-N 3.13Å; A325-A328 PolarHBondContact O-N 3.42Å; A325-A329 VanDerWaalsContact O-CB 3.32Å; A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 2.98Å
326V80.1Confident75Confident84 Ų84103.5 Ų103.551%0.50956%0.563SS.*Hα-helixtrans-65-45.5176.4172.40000110.8I322 T323 A328 A329 V330I322-V326 HydrophobicContact CG2-CG2 4.36Å; I322-V326 VanDerWaalsContact O-CG2 3.31Å; I322-V326 WeakPolarHBondContact O-CG2 3.45Å; I322-V326 PolarHBondContact O-N 3.14Å; T323-V326 PolarHBondContact O-N 3.27Å; V326-A328 PolarHBondContact O-N 3.47Å; V326-A329 PolarHBondContact O-N 2.88Å; V326-V330 HydrophobicContact CG1-CG2 4.34Å; V326-V330 WeakPolarHBondContact O-CB 3.25Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.38Å; V326-V330 PolarHBondContact O-N 3.2Å
327V78.5Confident73.5Confident81 Ų81103 Ų10349%0.49156%0.564SS.*Hα-helixtrans-61.8-44.5177.2172.20000110.9T323 G324 A329 V330 M331T323-V327 VanDerWaalsContact O-CG2 3.31Å; T323-V327 WeakPolarHBondContact O-CG2 3.19Å; T323-V327 PolarHBondContact O-N 3.26Å; G324-V327 PolarHBondContact O-N 3.1Å; V327-A329 PolarHBondContact O-N 3.37Å; V327-V330 PolarHBondContact O-N 3.43Å; V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.45Å; V327-M331 WeakPolarHBondContact O-CG 3.34Å; V327-M331 PolarHBondContact O-N 3.09Å
328A75.1Confident71.8Confident58 Ų58104.6 Ų104.648%0.47957%0.573SS.*Hα-helixtrans-61.4-43.2176.100000112.2G324 A325 V326 M331 W332G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 3.27Å; A325-A328 PolarHBondContact O-N 3.42Å; V326-A328 PolarHBondContact O-N 3.47Å; A328-M331 PolarHBondContact O-N 2.77Å; A328-W332 WeakPolarHBondContact O-CB 3.35Å; A328-W332 PolarHBondContact O-N 3.19Å
329A74.9Confident70.2Confident57 Ų57108.3 Ų108.347%0.47158%0.583SS.*Hα-helixtrans-65.7-39.7177.100000112.6A325 V326 V327 W332 R333A325-A329 VanDerWaalsContact O-CB 3.32Å; A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 2.98Å; V326-A329 PolarHBondContact O-N 2.88Å; V327-A329 PolarHBondContact O-N 3.37Å; A329-W332 PolarHBondContact O-N 3.37Å; A329-R333 PolarHBondContact O-N 3.4Å
330V74.4Confident68.2Low79 Ų79116.6 Ų116.648%0.47961%0.61SS.*Hα-helixtrans-67.2-42.2176170.70000111.1V326 V327 W332 R333 R334V326-V330 HydrophobicContact CG1-CG2 4.34Å; V326-V330 WeakPolarHBondContact O-CB 3.25Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.38Å; V326-V330 PolarHBondContact O-N 3.2Å; V327-V330 PolarHBondContact O-N 3.43Å; V330-W332 VanDerWaalsContact C-N 3.34Å; V330-R333 PolarHBondContact O-N 3.26Å; V330-R334 PolarHBondContact O-N 2.87Å
331M74.6Confident66Low130 Ų130117.5 Ų117.564%0.6463%0.625SS**Hα-helixtrans-63.5-39.6174.3-73.4-176.668.300111.9V327 A328 R334 K335V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.45Å; V327-M331 WeakPolarHBondContact O-CG 3.34Å; V327-M331 PolarHBondContact O-N 3.09Å; A328-M331 PolarHBondContact O-N 2.77Å; M331-R334 PolarHBondContact O-N 3.19Å; M331-K335 WeakPolarHBondContact O-CB 3.33Å; M331-K335 PolarHBondContact O-N 3.17Å
332W72.8Confident63.7Low206 Ų206116.4 Ų116.478%0.7864%0.635SS**Hα-helixtrans-63.1-44.9173.8-162.4-57.5000111.3A328 A329 V330 R334 K335 S336A328-W332 WeakPolarHBondContact O-CB 3.35Å; A328-W332 PolarHBondContact O-N 3.19Å; A329-W332 PolarHBondContact O-N 3.37Å; V330-W332 VanDerWaalsContact C-N 3.34Å; W332-R334 PolarHBondContact O-N 3.07Å; W332-K335 PolarHBondContact O-N 3.28Å; W332-S336 PolarHBondContact O-N 3.07Å; W332-S336 PolarHBondContact O-OG 3.09Å
333R66.2Low61.4Low200 Ų200117.9 Ų117.976%0.75565%0.653SS**Hα-helixtrans-61.7-42.8176.2-92-171.5-179.8176.11.6112.5A329 V330 K335 S336 S337A329-R333 PolarHBondContact O-N 3.4Å; V330-R333 PolarHBondContact O-N 3.26Å; R333-K335 VanDerWaalsContact C-N 3.32Å; R333-K335 PolarHBondContact O-N 2.99Å; R333-S336 WeakPolarHBondContact CA-OG 3.5Å; R333-S336 PolarHBondContact O-N 2.93Å; R333-S336 PolarHBondContact O-OG 3.18Å; R333-S337 PolarHBondContact O-N 3.14Å; R333-S337 PolarHBondContact O-OG 3.26Å
334R61.4Low59.4Low195 Ų195124.1 Ų124.174%0.73667%0.668SS**Hα-helixtrans-62.5-37.7174.9-96.5-174.6167179.4-3.2112.1V330 M331 W332 S337V330-R334 PolarHBondContact O-N 2.87Å; M331-R334 PolarHBondContact O-N 3.19Å; W332-R334 PolarHBondContact O-N 3.07Å; R334-S337 PolarHBondContact O-OG 3.37Å; R334-S337 VanDerWaalsContact O-OG 3.09Å
335K55.9Low57.3Low182 Ų182128 Ų12879%0.79169%0.689SS**Hα-helixtrans-72.7-26.3176.2-165.1172.7-179.4178.50113M331 W332 R333M331-K335 WeakPolarHBondContact O-CB 3.33Å; M331-K335 PolarHBondContact O-N 3.17Å; W332-K335 PolarHBondContact O-N 3.28Å; R333-K335 VanDerWaalsContact C-N 3.32Å; R333-K335 PolarHBondContact O-N 2.99Å
336S53.9Low55.2Low68 Ų68134.1 Ų134.148%0.47671%0.708SS.*Hα-helixtrans-87.1-22.4176.259.50000114.5W332 R333 D338W332-S336 PolarHBondContact O-N 3.07Å; W332-S336 PolarHBondContact O-OG 3.09Å; R333-S336 WeakPolarHBondContact CA-OG 3.5Å; R333-S336 PolarHBondContact O-N 2.93Å; R333-S336 PolarHBondContact O-OG 3.18Å; S336-D338 VanDerWaalsContact C-N 3.35Å
337S52.8Low53Low88 Ų88134.8 Ų134.862%0.61572%0.722SS**Hα-helixtrans-79.2-14.417955.90000114.1R333 R334 R339R333-S337 PolarHBondContact O-N 3.14Å; R333-S337 PolarHBondContact O-OG 3.26Å; R334-S337 PolarHBondContact O-OG 3.37Å; R334-S337 VanDerWaalsContact O-OG 3.09Å; S337-R339 PolarHBondContact O-N 2.96Å
338D47.1Very low50.9Low154 Ų154135.5 Ų135.582%0.82474%0.736SS**THydrogen-bonded Turntrans-81.17176.3-1150.4000113.7S336S336-D338 VanDerWaalsContact C-N 3.35Å
339R46Very low49Very low219 Ų219137.9 Ų137.983%0.82675%0.749SS**THydrogen-bonded Turntrans-13731.9-172.8-151-173.2167.6156.6-2.5116.5S337S337-R339 PolarHBondContact O-N 2.96Å
340K37.9Very low47.2Very low205 Ų205140.9 Ų140.989%0.89177%0.767SS**  trans-169.194157.5-110.5158.2-176-172.60112.5
341G35.6Very low45.4Very low80 Ų80144.3 Ų144.383%0.82578%0.782SS**  trans-78.2140154.700000110.8
342G33.6Very low43.9Very low79 Ų79143.4 Ų143.481%0.81479%0.789SS**  trans67.3112.2146.900000119.4
343S33.1Very low42.4Very low122 Ų122138 Ų13885%0.85379%0.788SS**  178141.5110.6-1750000111.3
344Y35Very low41.2Very low218 Ų218137.8 Ų137.886%0.85580%0.795SS**  trans-60.8150.7-178.9-82-107.9000114.8
345S34.7Very low39.9Very low126 Ų126131.4 Ų131.488%0.88179%0.791SS**  -167.6143.2122.343.40000112.2
346Q35.4Very low39.3Very low186 Ų186128.2 Ų128.287%0.86979%0.791SS**  trans-99.3164.5-166.9179.2177.7-3.600111.9
347A33.5Very low38.6Very low98 Ų98132 Ų13281%0.8181%0.806SS**  trans88.3140.8166.900000115.8
348A34.3Very low38Very low95 Ų95134.1 Ų134.179%0.78582%0.815SS**  cis-151.3143.522.400000113.3
349S36.1Very low37.8Very low108 Ų108131.6 Ų131.676%0.75581%0.81SS**  trans-4.6128.8142.6157.80000119
350S37.4Very low37.6Very low120 Ų120129.2 Ų129.284%0.83981%0.812SS**  -157.2134.5117.450.80000112.4
351D36.3Very low37.7Very low151 Ų151125.4 Ų125.481%0.80781%0.806SS**  trans-67.3149.5-179.5-74-52.1000114.8
352S43.6Very low37.9Very low112 Ų112125.7 Ų125.778%0.78380%0.801SS**  -179.3111.1119.221.10000108
353A40.3Very low38Very low91 Ų91127.7 Ų127.775%0.75280%0.801SS**  57.7128.699.800000111.9
354Q41.8Very low38.1Very low196 Ų196131 Ų13192%0.91680%0.8SS**  cis-171.6145.821.2-111.7161.8-32.100101.2
355G34.8Very low38.4Very low62 Ų62130.9 Ų130.964%0.63982%0.821SS**  cis144.2135.63800000106.4
356S42.8Very low38.6Very low114 Ų114131.1 Ų131.180%0.79782%0.818SS**  trans67.3105.4154.1-38.90000117.4
357D38.6Very low38.8Very low149 Ų149128.2 Ų128.280%0.79782%0.816SS**  52.8121.983.4-77.8-30.7000113.6
358V40.8Very low39Very low131 Ų131129.9 Ų129.979%0.79482%0.816SS**  -172.9116.6107151.40000109.2
359S42.1Very low39.3Very low102 Ų102131.9 Ų131.971%0.71382%0.818SS**  trans-61.1143160.1-45.70000110.7
360L42.6Very low39.5Very low169 Ų169133.4 Ų133.489%0.88582%0.822SS**  trans-137.3131.8147.5-93.7174.7000112
361T40.1Very low39.7Very low124 Ų124134.3 Ų134.376%0.76182%0.821SS**  trans-87.6145.5-167.9-14.80000111.7
362A38.8Very low39.9Very low86 Ų86133.1 Ų133.171%0.71182%0.822SS**  trans23.3138137.800000123.4
363C35.5Very low39.6Very low121 Ų121134.8 Ų134.882%0.81883%0.825SS**  trans86.8118.5132.2-87.70000122.4
364K36.2Very low39.6Very low192 Ų192138.4 Ų138.484%0.83583%0.831SS**  79113.5119.8-150-179.4-164.7179.40119
365V40.9Very low39.4Very low215 Ų215133.2 Ų133.2100%1.30382%0.823SS**  -141.10117.5176.40000107.6

Retrieved 365 of 365 residues in 1460.4 ms (Link to these results)

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