A0A090HQQ9_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A090HQQ9, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 182 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
1A80.8Confident95.8Very high114 Ų11439.6 Ų39.694%0.94224%0.238SC*.  0168.1000000108.1
2P90.6Very high96Very high73 Ų7340 Ų4047%0.47424%0.24SC..  trans-56.3141.3165.2-24.536.2000110.8V103 L110P2-V103 CarbonylContact C-O 3.49Å; P2-V103 WeakPolarHBondContact CA-O 3.34Å; P2-L110 HydrophobicContact CB-CD1 3.74Å; P2-L110 HydrophobicContact CG-CD1 3.65Å
3T94.8Very high96.1Very high27 Ų2738 Ų3817%0.16623%0.229CC..EExtended strand (participates in β ladder)trans-106.7124.4172.9-59.20000108.3V28 D29 D102 V103 L168 L172T3-V28 HydrophobicContact CG2-CG1 4.25Å; T3-D29 WeakPolarHBondContact CG2-OD1 3.46Å; T3-D102 CarbonylContact O-C 3.57Å; T3-D102 WeakPolarHBondContact O-CA 3.4Å; T3-V103 PolarHBondContact N-O 3.38Å; T3-V103 PolarHBondContact O-N 3.03Å; T3-L168 HydrophobicContact CG2-CD1 4.01Å; T3-L168 WeakPolarHBondContact O-CD2 3.34Å; T3-L172 HydrophobicContact CG2-CD1 3.96Å; T3-L172 HydrophobicContact CG2-CD2 3.58Å; T3-L172 HydrophobicContact CG2-CG 4.19Å
4P97.3Very high96.1Very high17 Ų1740.1 Ų40.111%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-92.3149.9174.435.7-29.1000112.9R6 V28 D29 C101 D102P4-R6 VanDerWaalsContact CG-NH1 3.34Å; P4-V28 WeakPolarHBondContact O-CA 3.34Å; P4-D29 WeakPolarHBondContact CD-OD1 3.29Å; P4-D29 PolarHBondContact O-N 3.3Å; P4-C101 CarbonylContact C-O 3.45Å; P4-C101 WeakPolarHBondContact CA-O 3.16Å; P4-D102 WeakPolarHBondContact CA-OD1 3.37Å; P4-D102 WeakPolarHBondContact CB-OD1 3.28Å
5M98.2Very high95.8Very high1 Ų140.9 Ų40.91%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-122.6128.4158.6-175.4172.865.100108.8Y7 Y27 V28 G100 C101 C164 W167 L168 Y171M5-Y7 HydrophobicContact CE-CE2 4.06Å; M5-Y7 HydrophobicContact CG-CE2 4Å; M5-Y7 HydrophobicContact SD-CE2 3.94Å; M5-Y27 CarbonylContact C-O 3.59Å; M5-Y27 VanDerWaalsContact CA-O 3.28Å; M5-Y27 WeakPolarHBondContact CA-O 3.44Å; M5-V28 HydrophobicContact CG-CG2 4.21Å; M5-G100 CarbonylContact O-C 3.56Å; M5-G100 WeakPolarHBondContact O-CA 3.46Å; M5-C101 PolarHBondContact N-O 3.25Å; M5-C101 PolarHBondContact O-N 2.84Å; M5-C164 HydrophobicContact CE-CB 4.24Å; M5-C164 WeakPolarHBondContact CE-O 3.42Å; M5-C164 WeakPolarHBondContact CE-SG 3.43Å; M5-W167 HydrophobicContact CE-CB 4.4Å; M5-L168 HydrophobicContact CB-CB 4.26Å; M5-L168 HydrophobicContact CB-CD1 3.86Å; M5-L168 HydrophobicContact CB-CD2 3.79Å; M5-L168 HydrophobicContact CB-CG 4.18Å; M5-L168 HydrophobicContact CE-CB 4.19Å; M5-L168 HydrophobicContact SD-CB 4.21Å; M5-Y171 HydrophobicContact SD-CD2 3.65Å; M5-Y171 HydrophobicContact SD-CE2 3.54Å; M5-Y171 VanDerWaalsContact SD-CE2 3.54Å
6R98.4Very high95.4Very high64 Ų6444.1 Ų44.124%0.24228%0.282CS..EExtended strand (participates in β ladder)trans-135.2135.9-178-67.6-179.7174.887.419.7111P4 F8 G26 Y27 M98 D102 Y113P4-R6 VanDerWaalsContact CG-NH1 3.34Å; R6-F8 HydrophobicContact CB-CD2 4.49Å; R6-F8 HydrophobicContact CB-CE2 3.69Å; R6-F8 HydrophobicContact CB-CZ 4.07Å; R6-G26 CarbonylContact O-C 3.6Å; R6-G26 WeakPolarHBondContact O-CA 3.21Å; R6-Y27 PolarHBondContact N-O 3.44Å; R6-Y27 PolarHBondContact O-N 2.76Å; R6-M98 HydrophobicContact CG-SD 4.3Å; R6-D102 IonicContact CZ-OD1 3.44Å; R6-D102 IonicContact NH2-OD1 3.58Å; R6-D102 PolarHBondContact NH2-OD1 3.46Å; R6-D102 IonicContact NH2-OD2 3.72Å; R6-Y113 PolarHBondContact NH2-OH 2.78Å
7Y98.7Very high95.1Very high12 Ų1253.9 Ų53.95%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-113.3140.4170-69-90.4000109.3M5 V25 F33 V34 M98 Y99M5-Y7 HydrophobicContact CE-CE2 4.06Å; M5-Y7 HydrophobicContact CG-CE2 4Å; M5-Y7 HydrophobicContact SD-CE2 3.94Å; Y7-V25 CarbonylContact C-O 3.57Å; Y7-V25 WeakPolarHBondContact CA-O 3.08Å; Y7-F33 HydrophobicContact CE1-CZ 4.14Å; Y7-F33 AromaticContact CZ-CZ 3.9Å; Y7-F33 WeakPolarHBondContact OH-CZ 3.49Å; Y7-V34 HydrophobicContact CE1-CG2 3.95Å; Y7-M98 WeakPolarHBondContact O-CA 3.35Å; Y7-Y99 VanDerWaalsContact CB-CZ 3.42Å; Y7-Y99 AromaticContact CD2-CE2 3.88Å; Y7-Y99 HydrophobicContact CD2-CE2 3.88Å; Y7-Y99 AromaticContact CD2-CZ 3.9Å; Y7-Y99 HydrophobicContact CG-CE1 4.16Å; Y7-Y99 HydrophobicContact CG-CE2 4.21Å; Y7-Y99 AromaticContact CG-CZ 3.74Å; Y7-Y99 PolarHBondContact N-O 3.19Å; Y7-Y99 PolarHBondContact O-N 2.78Å; Y7-Y99 VanDerWaalsContact O-N 3.15Å
8F98.7Very high94.8Very high82 Ų8254.3 Ų54.336%0.3633%0.33SS..EExtended strand (participates in β ladder)trans-124.1110178-59.2-96.5000109.4R6 T24 V25 Y27 M98R6-F8 HydrophobicContact CB-CD2 4.49Å; R6-F8 HydrophobicContact CB-CE2 3.69Å; R6-F8 HydrophobicContact CB-CZ 4.07Å; F8-T24 WeakPolarHBondContact O-CA 3.35Å; F8-V25 HydrophobicContact CB-CG2 3.85Å; F8-V25 HydrophobicContact CD2-CG2 4.31Å; F8-V25 PolarHBondContact N-O 2.94Å; F8-V25 PolarHBondContact O-N 2.97Å; F8-V25 VanDerWaalsContact O-N 3.13Å; F8-Y27 AromaticContact CD2-CD2 3.95Å; F8-Y27 HydrophobicContact CD2-CD2 3.95Å; F8-Y27 HydrophobicContact CD2-CE2 4.21Å; F8-Y27 AromaticContact CE2-CD2 3.86Å; F8-Y27 HydrophobicContact CE2-CD2 3.86Å; F8-Y27 HydrophobicContact CE2-CE2 4.32Å; F8-M98 HydrophobicContact CD1-CB 4Å; F8-M98 HydrophobicContact CD1-CG 3.63Å; F8-M98 HydrophobicContact CE1-CB 4.12Å; F8-M98 HydrophobicContact CE1-CG 3.35Å; F8-M98 HydrophobicContact CG-CG 4.41Å; F8-M98 HydrophobicContact CZ-CG 3.92Å
9H98.6Very high94.8Very high9 Ų956.1 Ų56.14%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-90.6138.4171.6-63.8158.2000110F22 I23 T24 Q96 N97 Y99H9-F22 HydrophobicContact CB-CE2 4Å; H9-F22 HydrophobicContact CB-CZ 4.38Å; H9-F22 AromaticContact CD2-CZ 3.79Å; H9-I23 CarbonylContact C-O 3.52Å; H9-I23 WeakPolarHBondContact CA-O 3.31Å; H9-T24 WeakPolarHBondContact CD2-CB 3.48Å; H9-T24 PolarHBondContact CD2-OG1 2.89Å; H9-T24 PolarHBondContact NE2-OG1 3.46Å; H9-Q96 VanDerWaalsContact O-CA 3.28Å; H9-Q96 WeakPolarHBondContact O-CA 3.17Å; H9-N97 HydrophobicContact CB-CB 4.07Å; H9-N97 PolarHBondContact N-O 2.86Å; H9-N97 PolarHBondContact ND1-OD1 3.34Å; H9-N97 PolarHBondContact O-N 2.88Å; H9-Y99 AromaticContact CE1-CE1 3.15Å; H9-Y99 WeakPolarHBondContact CE1-CE1 3.38Å; H9-Y99 AromaticContact CE1-CZ 3.69Å; H9-Y99 PolarHBondContact CE1-OH 2.86Å; H9-Y99 AromaticContact ND1-CE1 3.57Å; H9-Y99 AromaticContact NE2-CE1 3.59Å; H9-Y99 PolarHBondContact NE2-OH 3.44Å
10T98.8Very high94.9Very high36 Ų3654.5 Ų54.522%0.22133%0.325CS..EExtended strand (participates in β ladder)trans-140121.8172.7-63.10000109.7V12 F22 I23 T94 Q96T10-V12 HydrophobicContact CG2-CG2 4.01Å; T10-F22 CarbonylContact O-C 3.53Å; T10-F22 WeakPolarHBondContact O-CA 3.4Å; T10-I23 PolarHBondContact N-O 3.09Å; T10-I23 PolarHBondContact O-N 3.2Å; T10-T94 HydrophobicContact CG2-CG2 4.05Å; T10-Q96 HydrophobicContact CG2-CG 4.23Å
11S98.6Very high95.1Very high1 Ų155.9 Ų55.91%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-117.2119.6177.5-79.60000110R21 F22 D74 T94 L95S11-R21 CarbonylContact C-O 3.5Å; S11-R21 VanDerWaalsContact CA-O 3.3Å; S11-R21 WeakPolarHBondContact CA-O 3.48Å; S11-F22 WeakPolarHBondContact OG-CD2 3.39Å; S11-D74 WeakPolarHBondContact OG-CB 3.39Å; S11-D74 VanDerWaalsContact OG-CG 3.29Å; S11-D74 PolarHBondContact OG-OD2 3.03Å; S11-T94 CarbonylContact O-C 3.55Å; S11-T94 WeakPolarHBondContact O-CA 3.45Å; S11-L95 PolarHBondContact N-O 3.32Å; S11-L95 PolarHBondContact O-N 2.85Å
12V98.4Very high95.9Very high44 Ų4450.6 Ų50.627%0.26728%0.281SS..EExtended strand (participates in β ladder)trans-117117.2-179.4-175.10000109.5T10 P20 R21 H93 T94T10-V12 HydrophobicContact CG2-CG2 4.01Å; V12-P20 CarbonylContact O-C 3.56Å; V12-P20 WeakPolarHBondContact O-CA 3.44Å; V12-P20 WeakPolarHBondContact O-CB 3.48Å; V12-R21 PolarHBondContact N-O 2.91Å; V12-R21 PolarHBondContact O-N 3.29Å; V12-H93 WeakPolarHBondContact CA-O 3.35Å; V12-T94 HydrophobicContact CG2-CG2 4.09Å
13S97.8Very high96.3Very high14 Ų1448.7 Ų48.710%0.09827%0.266CS..  trans-69.9142.917576.40000110.8S92 H93S13-S92 WeakPolarHBondContact O-CB 3.47Å; S13-S92 PolarHBondContact O-OG 2.66Å; S13-H93 PolarHBondContact N-O 3.45Å; S13-H93 PolarHBondContact OG-N 3.29Å; S13-H93 PolarHBondContact OG-O 3.06Å
14R95.7Very high96.5Very high68 Ų6847.5 Ų47.526%0.25726%0.259SS..  trans-130.175.2-176-59.2179.9-73.3-177-5.9110.8G16 R17 E19 D39R14-G16 PolarHBondContact O-N 3.1Å; R14-R17 HydrophobicContact CB-CB 4.01Å; R14-R17 PolarHBondContact O-N 2.91Å; R14-E19 VanDerWaalsContact CZ-O 3.26Å; R14-E19 PolarHBondContact NE-O 3.32Å; R14-E19 PolarHBondContact NH2-O 3.22Å; R14-D39 IonicContact CZ-OD1 3.16Å; R14-D39 VanDerWaalsContact CZ-OD1 3.31Å; R14-D39 IonicContact CZ-OD2 3.31Å; R14-D39 IonicContact NH1-OD1 2.8Å; R14-D39 PolarHBondContact NH1-OD1 2.89Å; R14-D39 IonicContact NH1-OD2 2.97Å; R14-D39 PolarHBondContact NH1-OD2 3.17Å; R14-D39 IonicContact NH2-OD1 3.17Å; R14-D39 PolarHBondContact NH2-OD1 2.83Å; R14-D39 IonicContact NH2-OD2 2.8Å
15P91.4Very high96.5Very high52 Ų5247.8 Ų47.834%0.33826%0.26SS..THydrogen-bonded Turntrans-49.9128.4-178.9-27.234000112.4R17 E89 G91P15-R17 PolarHBondContact O-N 3.23Å; P15-E89 VanDerWaalsContact CB-O 3.31Å; P15-E89 WeakPolarHBondContact CB-O 3.42Å; P15-E89 VanDerWaalsContact CG-O 3.24Å; P15-E89 WeakPolarHBondContact CG-O 3.26Å; P15-G91 WeakPolarHBondContact CG-O 3.3Å
16G89.6Confident96.6Very high91 Ų9147.8 Ų47.894%0.93826%0.26SS*.THydrogen-bonded Turntrans71.23.9-17900000115.9R14R14-G16 PolarHBondContact O-N 3.1Å
17R90Very high96.6Very high211 Ų21148.3 Ų48.380%0.79626%0.263SS*.SBendtrans-123.617.5-179.2-60.3-180180-113.50.5113.4R14 P15R14-R17 HydrophobicContact CB-CB 4.01Å; R14-R17 PolarHBondContact O-N 2.91Å; P15-R17 PolarHBondContact O-N 3.23Å
18G90.4Very high96.5Very high61 Ų6147.8 Ų47.863%0.62926%0.261SS*.  trans98.4-151.3176.200000113.4
19E94.1Very high96.3Very high88 Ų8846.3 Ų46.341%0.41126%0.256SS..SBendtrans-71156.3-176-66.1-65.9-176.100112.5R14 R75R14-E19 VanDerWaalsContact CZ-O 3.26Å; R14-E19 PolarHBondContact NE-O 3.32Å; R14-E19 PolarHBondContact NH2-O 3.22Å; E19-R75 IonicContact OE1-CZ 3.53Å; E19-R75 IonicContact OE1-NH1 2.74Å; E19-R75 PolarHBondContact OE1-NH1 2.94Å; E19-R75 WeakPolarHBondContact OE2-CD 3.44Å; E19-R75 IonicContact OE2-NH1 3.85Å
20P97.2Very high96Very high24 Ų2453.4 Ų53.416%0.15630%0.295CS..PPolyproline II helixtrans-53.6143.9171.5-24.734.8000111.8V12 R75 L78V12-P20 CarbonylContact O-C 3.56Å; V12-P20 WeakPolarHBondContact O-CA 3.44Å; V12-P20 WeakPolarHBondContact O-CB 3.48Å; P20-R75 HydrophobicContact CG-CB 4.24Å; P20-R75 HydrophobicContact CG-CG 4.17Å; P20-L78 HydrophobicContact CB-CD1 3.73Å; P20-L78 HydrophobicContact CG-CD1 3.7Å
21R98.3Very high95.9Very high85 Ų8554 Ų5432%0.32130%0.299SS..EExtended strand (participates in β ladder)trans-81.9124.5169.3-176.1-177.1-174.3-178.4-3.5108.3S11 V12 I23 D37 S38 D39S11-R21 CarbonylContact C-O 3.5Å; S11-R21 VanDerWaalsContact CA-O 3.3Å; S11-R21 WeakPolarHBondContact CA-O 3.48Å; V12-R21 PolarHBondContact N-O 2.91Å; V12-R21 PolarHBondContact O-N 3.29Å; R21-I23 HydrophobicContact CG-CG1 4.23Å; R21-D37 IonicContact CZ-OD1 3.56Å; R21-D37 IonicContact CZ-OD2 2.92Å; R21-D37 IonicContact NE-OD1 3.46Å; R21-D37 PolarHBondContact NE-OD1 2.91Å; R21-D37 IonicContact NE-OD2 3.47Å; R21-D37 IonicContact NH2-OD1 3.7Å; R21-D37 PolarHBondContact NH2-OD1 3.1Å; R21-D37 IonicContact NH2-OD2 3.63Å; R21-D37 PolarHBondContact NH2-OD2 2.86Å; R21-S38 WeakPolarHBondContact CA-OG 3.32Å; R21-D39 WeakPolarHBondContact CD-OD2 3.3Å; R21-D39 HydrophobicContact CG-CB 4.39Å; R21-D39 WeakPolarHBondContact CG-OD2 3.08Å; R21-D39 IonicContact NE-OD2 2.7Å; R21-D39 PolarHBondContact NE-OD2 3.28Å
22F98.6Very high95.8Very high2 Ų256.6 Ų56.61%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-107.4129.5173.7176.5-97.8000110H9 T10 S11 T24 F36 S38 C67 K70 A71H9-F22 HydrophobicContact CB-CE2 4Å; H9-F22 HydrophobicContact CB-CZ 4.38Å; H9-F22 AromaticContact CD2-CZ 3.79Å; T10-F22 CarbonylContact O-C 3.53Å; T10-F22 WeakPolarHBondContact O-CA 3.4Å; S11-F22 WeakPolarHBondContact OG-CD2 3.39Å; F22-T24 HydrophobicContact CE1-CG2 4.18Å; F22-F36 AromaticContact CD1-CD1 3.77Å; F22-F36 HydrophobicContact CD1-CD1 3.77Å; F22-F36 AromaticContact CD1-CE1 3.74Å; F22-F36 HydrophobicContact CD1-CE1 3.74Å; F22-F36 HydrophobicContact CE1-CD1 4.04Å; F22-F36 HydrophobicContact CE1-CE1 4.3Å; F22-S38 PolarHBondContact N-OG 3.42Å; F22-S38 WeakPolarHBondContact O-CB 3.38Å; F22-S38 PolarHBondContact O-N 3.5Å; F22-S38 PolarHBondContact O-OG 3.1Å; F22-C67 HydrophobicContact CE1-CB 4.13Å; F22-K70 HydrophobicContact CE2-CB 4.21Å; F22-K70 HydrophobicContact CE2-CG 3.63Å; F22-K70 HydrophobicContact CZ-CB 3.92Å; F22-K70 HydrophobicContact CZ-CG 3.69Å; F22-A71 HydrophobicContact CB-CB 3.63Å; F22-A71 HydrophobicContact CD1-CB 3.89Å; F22-A71 HydrophobicContact CD2-CB 4.27Å; F22-A71 HydrophobicContact CG-CB 3.67Å
23I98.6Very high95.8Very high34 Ų3454.5 Ų54.517%0.17430%0.299CS..EExtended strand (participates in β ladder)trans-128.1136.3173.7-56.9173.4000107.9H9 T10 R21 F36H9-I23 CarbonylContact C-O 3.52Å; H9-I23 WeakPolarHBondContact CA-O 3.31Å; T10-I23 PolarHBondContact N-O 3.09Å; T10-I23 PolarHBondContact O-N 3.2Å; R21-I23 HydrophobicContact CG-CG1 4.23Å; I23-F36 WeakPolarHBondContact CA-O 3.1Å
24T98.6Very high95.8Very high2 Ų253.9 Ų53.91%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-121.4147.2162.9-177.90000110.8F8 H9 F22 R35 F36 C67F8-T24 WeakPolarHBondContact O-CA 3.35Å; H9-T24 WeakPolarHBondContact CD2-CB 3.48Å; H9-T24 PolarHBondContact CD2-OG1 2.89Å; H9-T24 PolarHBondContact NE2-OG1 3.46Å; F22-T24 HydrophobicContact CE1-CG2 4.18Å; T24-R35 VanDerWaalsContact O-CA 3.31Å; T24-R35 WeakPolarHBondContact O-CA 3.14Å; T24-F36 HydrophobicContact CG2-CB 3.57Å; T24-F36 HydrophobicContact CG2-CG 4.41Å; T24-F36 PolarHBondContact N-O 3.03Å; T24-F36 PolarHBondContact O-N 3.43Å; T24-C67 WeakPolarHBondContact CG2-SG 3.47Å
25V98.8Very high96Very high23 Ų2353.7 Ų53.714%0.13929%0.294CS..EExtended strand (participates in β ladder)trans-136.9136.2169.3-70.30000109.4Y7 F8 Y27 L32 V34 R35Y7-V25 CarbonylContact C-O 3.57Å; Y7-V25 WeakPolarHBondContact CA-O 3.08Å; F8-V25 HydrophobicContact CB-CG2 3.85Å; F8-V25 HydrophobicContact CD2-CG2 4.31Å; F8-V25 PolarHBondContact N-O 2.94Å; F8-V25 PolarHBondContact O-N 2.97Å; F8-V25 VanDerWaalsContact O-N 3.13Å; V25-Y27 HydrophobicContact CB-CE2 4.17Å; V25-Y27 HydrophobicContact CG2-CE2 3.86Å; V25-L32 HydrophobicContact CB-CD1 3.63Å; V25-L32 HydrophobicContact CG1-CD1 3.93Å; V25-V34 WeakPolarHBondContact CA-O 3.46Å; V25-R35 HydrophobicContact CG1-CB 4.25Å; V25-R35 HydrophobicContact CG1-CG 4.05Å
26G98.6Very high96.3Very high0 Ų051.4 Ų51.40%028%0.279CS..EExtended strand (participates in β ladder)trans-112.3138177.300000111.8R6 F33 V34R6-G26 CarbonylContact O-C 3.6Å; R6-G26 WeakPolarHBondContact O-CA 3.21Å; G26-F33 WeakPolarHBondContact O-CD1 3.34Å; G26-F33 PolarHBondContact O-N 2.83Å; G26-V34 PolarHBondContact N-O 3.44Å
27Y98.4Very high96.8Very high76 Ų7648.1 Ų48.130%0.29824%0.24SC..EExtended strand (participates in β ladder)trans-122.6139.9176.6-70.7-97.6000110.9M5 R6 F8 V25 T31 L32M5-Y27 CarbonylContact C-O 3.59Å; M5-Y27 VanDerWaalsContact CA-O 3.28Å; M5-Y27 WeakPolarHBondContact CA-O 3.44Å; R6-Y27 PolarHBondContact N-O 3.44Å; R6-Y27 PolarHBondContact O-N 2.76Å; F8-Y27 AromaticContact CD2-CD2 3.95Å; F8-Y27 HydrophobicContact CD2-CD2 3.95Å; F8-Y27 HydrophobicContact CD2-CE2 4.21Å; F8-Y27 AromaticContact CE2-CD2 3.86Å; F8-Y27 HydrophobicContact CE2-CD2 3.86Å; F8-Y27 HydrophobicContact CE2-CE2 4.32Å; V25-Y27 HydrophobicContact CB-CE2 4.17Å; V25-Y27 HydrophobicContact CG2-CE2 3.86Å; Y27-T31 WeakPolarHBondContact CA-O 3.28Å; Y27-L32 HydrophobicContact CD1-CB 4.16Å; Y27-L32 HydrophobicContact CD2-CD1 4.38Å; Y27-L32 HydrophobicContact CE1-CB 3.65Å; Y27-L32 HydrophobicContact CE1-CD1 4.32Å; Y27-L32 HydrophobicContact CE2-CD1 3.85Å
28V97.4Very high97.1Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-116.7126.3160.5173.70000106.6T3 P4 M5 D30 T31 F33 W51 L168 Y171 L172 L179T3-V28 HydrophobicContact CG2-CG1 4.25Å; P4-V28 WeakPolarHBondContact O-CA 3.34Å; M5-V28 HydrophobicContact CG-CG2 4.21Å; V28-D30 PolarHBondContact O-N 3.33Å; V28-T31 PolarHBondContact N-O 3.38Å; V28-T31 VanDerWaalsContact N-O 3.1Å; V28-T31 WeakPolarHBondContact O-CB 3.28Å; V28-T31 PolarHBondContact O-N 3.33Å; V28-F33 HydrophobicContact CG2-CD1 3.89Å; V28-F33 HydrophobicContact CG2-CE1 3.84Å; V28-F33 HydrophobicContact CG2-CG 4.48Å; V28-F33 HydrophobicContact CG2-CZ 4.38Å; V28-W51 HydrophobicContact CB-CH2 4.42Å; V28-W51 HydrophobicContact CB-CZ2 4.47Å; V28-W51 HydrophobicContact CG2-CH2 4.08Å; V28-L168 HydrophobicContact CG1-CD1 3.76Å; V28-L168 HydrophobicContact CG2-CD1 4.13Å; V28-Y171 HydrophobicContact CG2-CD2 4.01Å; V28-Y171 HydrophobicContact CG2-CG 4.49Å; V28-L172 HydrophobicContact CG1-CD2 4.15Å; V28-L179 HydrophobicContact CG1-CD1 3.98Å
29D94Very high97.5Very high51 Ų5140.3 Ų40.327%0.27320%0.202SC..THydrogen-bonded Turntrans49.3-126-160.6-65-57.4000109.6T3 P4T3-D29 WeakPolarHBondContact CG2-OD1 3.46Å; P4-D29 WeakPolarHBondContact CD-OD1 3.29Å; P4-D29 PolarHBondContact O-N 3.3Å
30D92.8Very high97.6Very high159 Ų15937.8 Ų37.885%0.8520%0.197SC*.THydrogen-bonded Turntrans-99.411.8175.9-63-49000112.9V28V28-D30 PolarHBondContact O-N 3.33Å
31T95.7Very high97.6Very high49 Ų4942.3 Ų42.330%0.30124%0.236SC..EExtended strand (participates in β ladder)trans-98.1115-176.3-57.80000111.4Y27 V28 F33 A49 L179Y27-T31 WeakPolarHBondContact CA-O 3.28Å; V28-T31 PolarHBondContact N-O 3.38Å; V28-T31 VanDerWaalsContact N-O 3.1Å; V28-T31 WeakPolarHBondContact O-CB 3.28Å; V28-T31 PolarHBondContact O-N 3.33Å; T31-F33 PolarHBondContact O-N 2.92Å; T31-A49 HydrophobicContact CG2-CB 4.38Å; T31-L179 HydrophobicContact CG2-CD2 4.42Å
32L97.8Very high97.5Very high54 Ų5442 Ų4228%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-63.5119.4169.1178.171000109.4V25 Y27 V34 R48V25-L32 HydrophobicContact CB-CD1 3.63Å; V25-L32 HydrophobicContact CG1-CD1 3.93Å; Y27-L32 HydrophobicContact CD1-CB 4.16Å; Y27-L32 HydrophobicContact CD2-CD1 4.38Å; Y27-L32 HydrophobicContact CE1-CB 3.65Å; Y27-L32 HydrophobicContact CE1-CD1 4.32Å; Y27-L32 HydrophobicContact CE2-CD1 3.85Å; L32-V34 WeakPolarHBondContact CD1-O 3.49Å; L32-R48 HydrophobicContact CD2-CB 4.06Å; L32-R48 HydrophobicContact CD2-CG 4.03Å; L32-R48 HydrophobicContact CG-CB 3.82Å; L32-R48 HydrophobicContact CG-CG 4.08Å; L32-R48 CarbonylContact O-C 3.6Å
33F98Very high97.4Very high0 Ų043.7 Ų43.70%026%0.258CS..EExtended strand (participates in β ladder)trans-118.5-24.3-17680.7-81.2000114.3Y7 G26 V28 T31 R48 A49 W51 I52 Y171Y7-F33 HydrophobicContact CE1-CZ 4.14Å; Y7-F33 AromaticContact CZ-CZ 3.9Å; Y7-F33 WeakPolarHBondContact OH-CZ 3.49Å; G26-F33 WeakPolarHBondContact O-CD1 3.34Å; G26-F33 PolarHBondContact O-N 2.83Å; V28-F33 HydrophobicContact CG2-CD1 3.89Å; V28-F33 HydrophobicContact CG2-CE1 3.84Å; V28-F33 HydrophobicContact CG2-CG 4.48Å; V28-F33 HydrophobicContact CG2-CZ 4.38Å; T31-F33 PolarHBondContact O-N 2.92Å; F33-R48 PolarHBondContact O-N 2.83Å; F33-A49 HydrophobicContact CB-CB 4.17Å; F33-W51 HydrophobicContact CB-CH2 3.3Å; F33-W51 HydrophobicContact CB-CZ2 3.27Å; F33-W51 HydrophobicContact CB-CZ3 4.28Å; F33-W51 HydrophobicContact CD1-CH2 4.23Å; F33-W51 AromaticContact CD2-CH2 3.46Å; F33-W51 HydrophobicContact CD2-CH2 3.46Å; F33-W51 VanDerWaalsContact CD2-CH2 3.46Å; F33-W51 HydrophobicContact CD2-CZ2 4.34Å; F33-W51 AromaticContact CD2-CZ3 3.92Å; F33-W51 HydrophobicContact CD2-CZ3 3.92Å; F33-W51 HydrophobicContact CE2-CH2 4.34Å; F33-W51 AromaticContact CG-CH2 3.42Å; F33-W51 HydrophobicContact CG-CH2 3.42Å; F33-W51 VanDerWaalsContact CG-CH2 3.42Å; F33-W51 AromaticContact CG-CZ2 3.91Å; F33-W51 HydrophobicContact CG-CZ2 3.91Å; F33-W51 HydrophobicContact CG-CZ3 4.32Å; F33-I52 HydrophobicContact CD2-CB 4.29Å; F33-I52 HydrophobicContact CD2-CD1 3.93Å; F33-I52 HydrophobicContact CD2-CG1 3.97Å; F33-I52 HydrophobicContact CE2-CD1 4.09Å; F33-I52 HydrophobicContact CE2-CG1 4.45Å; F33-I52 VanDerWaalsContact O-CG2 3.3Å; F33-I52 WeakPolarHBondContact O-CG2 3.48Å; F33-Y171 HydrophobicContact CE2-CD2 4.02Å; F33-Y171 HydrophobicContact CE2-CE1 4.26Å; F33-Y171 AromaticContact CE2-CE2 3.67Å; F33-Y171 HydrophobicContact CE2-CE2 3.67Å; F33-Y171 HydrophobicContact CE2-CG 4.47Å; F33-Y171 AromaticContact CE2-CZ 3.81Å; F33-Y171 HydrophobicContact CZ-CD2 4.01Å; F33-Y171 AromaticContact CZ-CE2 3.64Å; F33-Y171 HydrophobicContact CZ-CE2 3.64Å
34V98.6Very high97.4Very high1 Ų148.8 Ų48.81%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-141.9154.7176.2-70.10000112.1Y7 V25 G26 L32 E45 E46 I52 W60Y7-V34 HydrophobicContact CE1-CG2 3.95Å; V25-V34 WeakPolarHBondContact CA-O 3.46Å; G26-V34 PolarHBondContact N-O 3.44Å; L32-V34 WeakPolarHBondContact CD1-O 3.49Å; V34-E45 HydrophobicContact CB-CG 4.3Å; V34-E45 VanDerWaalsContact CB-OE1 3.28Å; V34-E45 WeakPolarHBondContact CB-OE1 3.29Å; V34-E46 WeakPolarHBondContact CA-O 3.46Å; V34-I52 HydrophobicContact CG1-CG1 4.11Å; V34-W60 HydrophobicContact CG1-CH2 4.09Å; V34-W60 HydrophobicContact CG1-CZ3 3.94Å
35R98.6Very high97.4Very high65 Ų6549.1 Ų49.125%0.24528%0.276CS..EExtended strand (participates in β ladder)trans-151.6142.4175.8175.8-177.8172.9885110.7T24 V25 D37 E45 E46 R48T24-R35 VanDerWaalsContact O-CA 3.31Å; T24-R35 WeakPolarHBondContact O-CA 3.14Å; V25-R35 HydrophobicContact CG1-CB 4.25Å; V25-R35 HydrophobicContact CG1-CG 4.05Å; R35-D37 IonicContact CZ-OD2 3.74Å; R35-D37 IonicContact NH2-OD2 3.06Å; R35-D37 PolarHBondContact NH2-OD2 2.97Å; R35-E45 VanDerWaalsContact C-OE1 3.25Å; R35-E45 PolarHBondContact N-OE1 3.32Å; R35-E46 PolarHBondContact N-O 2.66Å; R35-E46 PolarHBondContact O-N 2.93Å; R35-R48 HydrophobicContact CB-CG 3.88Å
36F98.8Very high97.3Very high3 Ų351 Ų511%0.01328%0.283CS..EExtended strand (participates in β ladder)trans-128.2147.1162.6167.1-68.3000110.8F22 I23 T24 P43 R44 E45 T64 C67 K68F22-F36 AromaticContact CD1-CD1 3.77Å; F22-F36 HydrophobicContact CD1-CD1 3.77Å; F22-F36 AromaticContact CD1-CE1 3.74Å; F22-F36 HydrophobicContact CD1-CE1 3.74Å; F22-F36 HydrophobicContact CE1-CD1 4.04Å; F22-F36 HydrophobicContact CE1-CE1 4.3Å; I23-F36 WeakPolarHBondContact CA-O 3.1Å; T24-F36 HydrophobicContact CG2-CB 3.57Å; T24-F36 HydrophobicContact CG2-CG 4.41Å; T24-F36 PolarHBondContact N-O 3.03Å; T24-F36 PolarHBondContact O-N 3.43Å; F36-P43 HydrophobicContact CE2-CB 3.92Å; F36-P43 HydrophobicContact CZ-CB 3.73Å; F36-R44 WeakPolarHBondContact CD2-O 3.45Å; F36-E45 WeakPolarHBondContact CB-OE2 3.46Å; F36-T64 HydrophobicContact CE2-CG2 4.49Å; F36-C67 HydrophobicContact CB-CB 4.23Å; F36-C67 HydrophobicContact CD1-CB 3.98Å; F36-C67 HydrophobicContact CD2-CB 3.63Å; F36-C67 HydrophobicContact CE1-CB 4.26Å; F36-C67 HydrophobicContact CE2-CB 3.94Å; F36-C67 HydrophobicContact CG-CB 3.7Å; F36-C67 HydrophobicContact CZ-CB 4.25Å; F36-K68 HydrophobicContact CE2-CG 4.16Å; F36-K68 HydrophobicContact CZ-CG 4.07Å
37D98.6Very high97.3Very high23 Ų2353.2 Ų53.212%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-139119.6177.5-163.3-29.1000109.9R21 R35 D39 A40R21-D37 IonicContact CZ-OD1 3.56Å; R21-D37 IonicContact CZ-OD2 2.92Å; R21-D37 IonicContact NE-OD1 3.46Å; R21-D37 PolarHBondContact NE-OD1 2.91Å; R21-D37 IonicContact NE-OD2 3.47Å; R21-D37 IonicContact NH2-OD1 3.7Å; R21-D37 PolarHBondContact NH2-OD1 3.1Å; R21-D37 IonicContact NH2-OD2 3.63Å; R21-D37 PolarHBondContact NH2-OD2 2.86Å; R35-D37 IonicContact CZ-OD2 3.74Å; R35-D37 IonicContact NH2-OD2 3.06Å; R35-D37 PolarHBondContact NH2-OD2 2.97Å; D37-D39 PolarHBondContact O-N 2.92Å; D37-D39 PolarHBondContact OD1-N 2.85Å; D37-D39 VanDerWaalsContact OD1-N 3.15Å; D37-A40 HydrophobicContact CB-CB 4.46Å; D37-A40 VanDerWaalsContact O-CB 3.32Å; D37-A40 WeakPolarHBondContact O-CB 3.45Å; D37-A40 PolarHBondContact O-N 3.23Å; D37-A40 VanDerWaalsContact O-N 3.17Å
38S98.2Very high97.3Very high33 Ų3355 Ų5523%0.23130%0.304CS..THydrogen-bonded Turntrans-66.9-21.1-178.570.50000113.4R21 F22 A40 P43R21-S38 WeakPolarHBondContact CA-OG 3.32Å; F22-S38 PolarHBondContact N-OG 3.42Å; F22-S38 WeakPolarHBondContact O-CB 3.38Å; F22-S38 PolarHBondContact O-N 3.5Å; F22-S38 PolarHBondContact O-OG 3.1Å; S38-A40 VanDerWaalsContact C-N 3.33Å; S38-P43 WeakPolarHBondContact O-CG 3.32Å
39D97.1Very high97.2Very high74 Ų7455.4 Ų55.440%0.39631%0.307SS..THydrogen-bonded Turntrans-87.3-3178.6-77.7-5.4000112.6R14 R21 D37R14-D39 IonicContact CZ-OD1 3.16Å; R14-D39 VanDerWaalsContact CZ-OD1 3.31Å; R14-D39 IonicContact CZ-OD2 3.31Å; R14-D39 IonicContact NH1-OD1 2.8Å; R14-D39 PolarHBondContact NH1-OD1 2.89Å; R14-D39 IonicContact NH1-OD2 2.97Å; R14-D39 PolarHBondContact NH1-OD2 3.17Å; R14-D39 IonicContact NH2-OD1 3.17Å; R14-D39 PolarHBondContact NH2-OD1 2.83Å; R14-D39 IonicContact NH2-OD2 2.8Å; R21-D39 WeakPolarHBondContact CD-OD2 3.3Å; R21-D39 HydrophobicContact CG-CB 4.39Å; R21-D39 WeakPolarHBondContact CG-OD2 3.08Å; R21-D39 IonicContact NE-OD2 2.7Å; R21-D39 PolarHBondContact NE-OD2 3.28Å; D37-D39 PolarHBondContact O-N 2.92Å; D37-D39 PolarHBondContact OD1-N 2.85Å; D37-D39 VanDerWaalsContact OD1-N 3.15Å
40A96.9Very high97.3Very high36 Ų3657.6 Ų57.630%0.29832%0.324SS..SBendtrans-62.5150.2174.700000111.1D37 S38 S42 P43D37-A40 HydrophobicContact CB-CB 4.46Å; D37-A40 VanDerWaalsContact O-CB 3.32Å; D37-A40 WeakPolarHBondContact O-CB 3.45Å; D37-A40 PolarHBondContact O-N 3.23Å; D37-A40 VanDerWaalsContact O-N 3.17Å; S38-A40 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 2.86Å; A40-S42 VanDerWaalsContact O-N 3.15Å; A40-P43 WeakPolarHBondContact O-CD 3.25Å; A40-P43 VanDerWaalsContact O-CG 3.29Å; A40-P43 WeakPolarHBondContact O-CG 3.36Å
41A96.3Very high97.4Very high119 Ų11950.6 Ų50.698%0.98329%0.286SS*.SBendtrans-59.3-29.4178.900000113
42S96.1Very high97.4Very high77 Ų7748.2 Ų48.254%0.53827%0.271SS..SBendtrans-13586.7172.21740000108.9A40 R44A40-S42 PolarHBondContact O-N 2.86Å; A40-S42 VanDerWaalsContact O-N 3.15Å; S42-R44 PolarHBondContact O-N 3.48Å; S42-R44 VanDerWaalsContact O-N 3.13Å
43P97.3Very high97.2Very high38 Ų3851.9 Ų51.925%0.24729%0.287CS..  trans-62.6114.3-175.5-23.534.9000112.3F36 S38 A40 K68F36-P43 HydrophobicContact CE2-CB 3.92Å; F36-P43 HydrophobicContact CZ-CB 3.73Å; S38-P43 WeakPolarHBondContact O-CG 3.32Å; A40-P43 WeakPolarHBondContact O-CD 3.25Å; A40-P43 VanDerWaalsContact O-CG 3.29Å; A40-P43 WeakPolarHBondContact O-CG 3.36Å; P43-K68 VanDerWaalsContact O-CE 3.25Å; P43-K68 WeakPolarHBondContact O-CE 3.13Å; P43-K68 PolarHBondContact O-NZ 3.22Å
44R98.1Very high97.1Very high142 Ų14258 Ų5854%0.53632%0.316SS..  trans-151.7160.5177.764.7-178.5170.4-180-0.7110.4F36 S42 E46 T64F36-R44 WeakPolarHBondContact CD2-O 3.45Å; S42-R44 PolarHBondContact O-N 3.48Å; S42-R44 VanDerWaalsContact O-N 3.13Å; R44-E46 HydrophobicContact CG-CG 4.07Å; R44-T64 HydrophobicContact CB-CG2 4.14Å
45E98.4Very high97Very high9 Ų958.5 Ų58.54%0.04232%0.318CS..  trans-68.9132.8169.8-161.265.8-145.300108.9V34 R35 F36 W60 E63 T64 C67V34-E45 HydrophobicContact CB-CG 4.3Å; V34-E45 VanDerWaalsContact CB-OE1 3.28Å; V34-E45 WeakPolarHBondContact CB-OE1 3.29Å; R35-E45 VanDerWaalsContact C-OE1 3.25Å; R35-E45 PolarHBondContact N-OE1 3.32Å; F36-E45 WeakPolarHBondContact CB-OE2 3.46Å; E45-W60 HydrophobicContact CB-CE3 4.13Å; E45-W60 HydrophobicContact CB-CZ3 4.48Å; E45-W60 HydrophobicContact CG-CE3 4.18Å; E45-W60 HydrophobicContact CG-CZ3 4.08Å; E45-E63 HydrophobicContact CB-CB 4.09Å; E45-E63 HydrophobicContact CG-CB 3.97Å; E45-T64 PolarHBondContact N-OG1 3.03Å; E45-C67 PolarHBondContact OE2-SG 3.15Å
46E98.2Very high96.9Very high61 Ų6156.7 Ų56.729%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-125137.3-175.4-63.3-176.8150.600111.3V34 R35 R44 R48V34-E46 WeakPolarHBondContact CA-O 3.46Å; R35-E46 PolarHBondContact N-O 2.66Å; R35-E46 PolarHBondContact O-N 2.93Å; R44-E46 HydrophobicContact CG-CG 4.07Å; E46-R48 IonicContact OE2-CZ 3.7Å; E46-R48 IonicContact OE2-NH2 2.66Å; E46-R48 PolarHBondContact OE2-NH2 2.78Å
47P98.1Very high96.8Very high48 Ų4860.7 Ų60.731%0.31235%0.346SS..EExtended strand (participates in β ladder)trans-65.8143173.928.8-34.9000110.8I52 E53 W60P47-I52 HydrophobicContact CB-CG2 3.57Å; P47-E53 HydrophobicContact CB-CG 3.87Å; P47-E53 HydrophobicContact CG-CG 4.05Å; P47-W60 HydrophobicContact CB-CH2 3.64Å; P47-W60 HydrophobicContact CB-CZ2 4.02Å; P47-W60 HydrophobicContact CB-CZ3 4.46Å; P47-W60 HydrophobicContact CG-CH2 4.24Å; P47-W60 HydrophobicContact CG-CZ2 4.41Å
48R97.9Very high96.8Very high114 Ų11466.6 Ų66.643%0.4337%0.373SS..  trans-125.1-2.4174.7-59.4-63.9170.5179.4-2.5113.4L32 F33 R35 E46L32-R48 HydrophobicContact CD2-CB 4.06Å; L32-R48 HydrophobicContact CD2-CG 4.03Å; L32-R48 HydrophobicContact CG-CB 3.82Å; L32-R48 HydrophobicContact CG-CG 4.08Å; L32-R48 CarbonylContact O-C 3.6Å; F33-R48 PolarHBondContact O-N 2.83Å; R35-R48 HydrophobicContact CB-CG 3.88Å; E46-R48 IonicContact OE2-CZ 3.7Å; E46-R48 IonicContact OE2-NH2 2.66Å; E46-R48 PolarHBondContact OE2-NH2 2.78Å
49A95.8Very high96.8Very high7 Ų765.7 Ų65.76%0.05836%0.364CS..SBendtrans-134.4145.3170.900000110.6T31 F33 W51 I52T31-A49 HydrophobicContact CG2-CB 4.38Å; F33-A49 HydrophobicContact CB-CB 4.17Å; A49-W51 VanDerWaalsContact C-N 3.25Å; A49-W51 HydrophobicContact CB-CD2 4.27Å; A49-W51 HydrophobicContact CB-CG 4.34Å; A49-W51 HydrophobicContact CB-CZ2 4.18Å; A49-W51 PolarHBondContact O-N 3Å; A49-I52 WeakPolarHBondContact O-CG2 3.27Å; A49-I52 PolarHBondContact O-N 2.99Å
50P95.2Very high96.8Very high97 Ų9764.1 Ų64.163%0.6335%0.353SS*.G310 helixtrans-60-33.6-177.1-2634.7000114I52 E53P50-I52 VanDerWaalsContact C-N 3.29Å; P50-I52 PolarHBondContact O-N 3.48Å; P50-E53 WeakPolarHBondContact O-CB 3.36Å; P50-E53 PolarHBondContact O-N 2.88Å
51W94.7Very high96.9Very high12 Ų1267.5 Ų67.55%0.04537%0.366CS..G310 helixtrans-69.7-23.5-175.154-103.7000113.7V28 F33 A49 E53 Q54 Y171 N174 L179V28-W51 HydrophobicContact CB-CH2 4.42Å; V28-W51 HydrophobicContact CB-CZ2 4.47Å; V28-W51 HydrophobicContact CG2-CH2 4.08Å; F33-W51 HydrophobicContact CB-CH2 3.3Å; F33-W51 HydrophobicContact CB-CZ2 3.27Å; F33-W51 HydrophobicContact CB-CZ3 4.28Å; F33-W51 HydrophobicContact CD1-CH2 4.23Å; F33-W51 AromaticContact CD2-CH2 3.46Å; F33-W51 HydrophobicContact CD2-CH2 3.46Å; F33-W51 VanDerWaalsContact CD2-CH2 3.46Å; F33-W51 HydrophobicContact CD2-CZ2 4.34Å; F33-W51 AromaticContact CD2-CZ3 3.92Å; F33-W51 HydrophobicContact CD2-CZ3 3.92Å; F33-W51 HydrophobicContact CE2-CH2 4.34Å; F33-W51 AromaticContact CG-CH2 3.42Å; F33-W51 HydrophobicContact CG-CH2 3.42Å; F33-W51 VanDerWaalsContact CG-CH2 3.42Å; F33-W51 AromaticContact CG-CZ2 3.91Å; F33-W51 HydrophobicContact CG-CZ2 3.91Å; F33-W51 HydrophobicContact CG-CZ3 4.32Å; A49-W51 VanDerWaalsContact C-N 3.25Å; A49-W51 HydrophobicContact CB-CD2 4.27Å; A49-W51 HydrophobicContact CB-CG 4.34Å; A49-W51 HydrophobicContact CB-CZ2 4.18Å; A49-W51 PolarHBondContact O-N 3Å; W51-E53 VanDerWaalsContact C-N 3.33Å; W51-Q54 PolarHBondContact O-NE2 3.11Å; W51-Y171 HydrophobicContact CH2-CG 4.3Å; W51-Y171 AromaticContact CZ3-CD1 3.96Å; W51-Y171 HydrophobicContact CZ3-CD1 3.96Å; W51-Y171 AromaticContact CZ3-CG 3.92Å; W51-Y171 HydrophobicContact CZ3-CG 3.92Å; W51-N174 WeakPolarHBondContact CB-O 3.31Å; W51-N174 HydrophobicContact CE3-CB 4.27Å; W51-L179 HydrophobicContact CZ2-CD1 4.21Å; W51-L179 HydrophobicContact CZ2-CD2 4.4Å
52I96.7Very high97Very high0 Ų067.4 Ų67.40%034%0.34CS..G310 helixtrans-79.7-18.8177.6-166.470.2000111.7F33 V34 P47 A49 P50 Q54 E55 Y59 W60 Y171F33-I52 HydrophobicContact CD2-CB 4.29Å; F33-I52 HydrophobicContact CD2-CD1 3.93Å; F33-I52 HydrophobicContact CD2-CG1 3.97Å; F33-I52 HydrophobicContact CE2-CD1 4.09Å; F33-I52 HydrophobicContact CE2-CG1 4.45Å; F33-I52 VanDerWaalsContact O-CG2 3.3Å; F33-I52 WeakPolarHBondContact O-CG2 3.48Å; V34-I52 HydrophobicContact CG1-CG1 4.11Å; P47-I52 HydrophobicContact CB-CG2 3.57Å; A49-I52 WeakPolarHBondContact O-CG2 3.27Å; A49-I52 PolarHBondContact O-N 2.99Å; P50-I52 VanDerWaalsContact C-N 3.29Å; P50-I52 PolarHBondContact O-N 3.48Å; I52-Q54 PolarHBondContact O-N 2.85Å; I52-E55 HydrophobicContact CD1-CG 3.65Å; I52-E55 HydrophobicContact CG1-CG 4.26Å; I52-E55 WeakPolarHBondContact O-CB 3.28Å; I52-E55 PolarHBondContact O-N 3.39Å; I52-Y59 HydrophobicContact CD1-CE1 4.28Å; I52-Y59 HydrophobicContact CG1-CE1 4.33Å; I52-W60 HydrophobicContact CB-CH2 4.39Å; I52-W60 HydrophobicContact CG1-CH2 3.66Å; I52-W60 HydrophobicContact CG1-CZ2 3.98Å; I52-W60 HydrophobicContact CG2-CH2 3.97Å; I52-W60 HydrophobicContact CG2-CZ2 4.4Å; I52-W60 WeakPolarHBondContact O-CZ2 3.38Å; I52-Y171 HydrophobicContact CD1-CD1 3.57Å; I52-Y171 HydrophobicContact CD1-CE1 3.37Å
53E94.6Very high97.1Very high130 Ų13064.8 Ų64.861%0.60732%0.32SS*.G310 helixtrans-63.2-13.6177-60.8-179.1-170.800113.2P47 P50 W51 E55P47-E53 HydrophobicContact CB-CG 3.87Å; P47-E53 HydrophobicContact CG-CG 4.05Å; P50-E53 WeakPolarHBondContact O-CB 3.36Å; P50-E53 PolarHBondContact O-N 2.88Å; W51-E53 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 3.34Å
54Q94.3Very high97.2Very high129 Ų12963.4 Ų63.460%0.60331%0.31SS*.G310 helixtrans-68.9-19.3172.5-62.9177.286.900112.9W51 I52 N174W51-Q54 PolarHBondContact O-NE2 3.11Å; I52-Q54 PolarHBondContact O-N 2.85Å; Q54-N174 PolarHBondContact NE2-O 2.78Å; Q54-N174 VanDerWaalsContact NE2-O 3.1Å
55E96.9Very high97.2Very high11 Ų1162.2 Ų62.25%0.05131%0.311CS..SBendtrans-68.8139.1176.8-66.4-59.415700111.8I52 E53 Y59 W60 R170 N174I52-E55 HydrophobicContact CD1-CG 3.65Å; I52-E55 HydrophobicContact CG1-CG 4.26Å; I52-E55 WeakPolarHBondContact O-CB 3.28Å; I52-E55 PolarHBondContact O-N 3.39Å; E53-E55 PolarHBondContact O-N 3.34Å; E55-Y59 HydrophobicContact CB-CD1 3.53Å; E55-Y59 HydrophobicContact CB-CE1 4.15Å; E55-Y59 HydrophobicContact CB-CG 3.81Å; E55-Y59 HydrophobicContact CG-CD1 3.94Å; E55-Y59 HydrophobicContact CG-CD2 4.48Å; E55-Y59 HydrophobicContact CG-CE1 4.16Å; E55-Y59 HydrophobicContact CG-CG 4.11Å; E55-W60 HydrophobicContact CB-CZ2 4.4Å; E55-W60 PolarHBondContact O-NE1 2.82Å; E55-R170 IonicContact OE1-CZ 2.76Å; E55-R170 IonicContact OE1-NE 3.89Å; E55-R170 PolarHBondContact OE1-NE 3.27Å; E55-R170 IonicContact OE1-NH2 3.27Å; E55-R170 PolarHBondContact OE1-NH2 2.81Å; E55-R170 IonicContact OE2-CZ 3.85Å; E55-R170 IonicContact OE2-NE 2.82Å; E55-R170 PolarHBondContact OE2-NE 3.28Å; E55-R170 IonicContact OE2-NH2 2.68Å; E55-R170 PolarHBondContact OE2-NH2 3.41Å; E55-N174 PolarHBondContact OE1-ND2 3.32Å
56G96.7Very high97.1Very high27 Ų2765.2 Ų65.228%0.27833%0.326SS..  trans-72.5168-176.900000113.8E58 Y59G56-E58 PolarHBondContact O-N 3.09Å; G56-Y59 WeakPolarHBondContact O-CB 3.32Å; G56-Y59 PolarHBondContact O-N 3.41Å; G56-Y59 VanDerWaalsContact O-N 3.11Å
57P97.3Very high97.2Very high88 Ų8862.6 Ų62.657%0.57132%0.315SS*.Hα-helixtrans-58.4-32.7179.924.8-33.9000113.2Y59 W60 D61P57-Y59 VanDerWaalsContact C-N 3.26Å; P57-Y59 PolarHBondContact O-N 3.03Å; P57-W60 PolarHBondContact O-N 3.06Å; P57-D61 WeakPolarHBondContact O-CB 3.47Å; P57-D61 PolarHBondContact O-N 3.01Å
58E97.9Very high97.2Very high147 Ų14764.3 Ų64.369%0.68732%0.318SS*.Hα-helixtrans-63.4-32.7178.7-60.393.4173.600112.8G56 R62G56-E58 PolarHBondContact O-N 3.09Å; E58-R62 VanDerWaalsContact O-CB 3.26Å; E58-R62 WeakPolarHBondContact O-CB 3.29Å; E58-R62 PolarHBondContact O-N 3.2Å
59Y97.8Very high97.2Very high13 Ų1361.6 Ų61.65%0.05132%0.319CS..Hα-helixtrans-64.5-53.3174.6169.9-96.8000110.4I52 E55 G56 P57 D61 R62 E63 W167 Y171I52-Y59 HydrophobicContact CD1-CE1 4.28Å; I52-Y59 HydrophobicContact CG1-CE1 4.33Å; E55-Y59 HydrophobicContact CB-CD1 3.53Å; E55-Y59 HydrophobicContact CB-CE1 4.15Å; E55-Y59 HydrophobicContact CB-CG 3.81Å; E55-Y59 HydrophobicContact CG-CD1 3.94Å; E55-Y59 HydrophobicContact CG-CD2 4.48Å; E55-Y59 HydrophobicContact CG-CE1 4.16Å; E55-Y59 HydrophobicContact CG-CG 4.11Å; G56-Y59 WeakPolarHBondContact O-CB 3.32Å; G56-Y59 PolarHBondContact O-N 3.41Å; G56-Y59 VanDerWaalsContact O-N 3.11Å; P57-Y59 VanDerWaalsContact C-N 3.26Å; P57-Y59 PolarHBondContact O-N 3.03Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 2.7Å; Y59-R62 PolarHBondContact O-N 3.47Å; Y59-R62 VanDerWaalsContact O-N 3.16Å; Y59-E63 HydrophobicContact CD1-CG 4.44Å; Y59-E63 HydrophobicContact CD2-CG 4.05Å; Y59-E63 HydrophobicContact CE1-CG 4.1Å; Y59-E63 HydrophobicContact CE2-CG 3.71Å; Y59-E63 HydrophobicContact CG-CG 4.43Å; Y59-E63 WeakPolarHBondContact O-CG 3.22Å; Y59-E63 PolarHBondContact O-N 2.74Å; Y59-W167 AromaticContact CD2-CH2 3.35Å; Y59-W167 HydrophobicContact CD2-CH2 3.35Å; Y59-W167 HydrophobicContact CD2-CZ2 4.01Å; Y59-W167 AromaticContact CD2-CZ3 3.67Å; Y59-W167 HydrophobicContact CD2-CZ3 3.67Å; Y59-W167 HydrophobicContact CE2-CE3 4.13Å; Y59-W167 AromaticContact CE2-CH2 3.69Å; Y59-W167 HydrophobicContact CE2-CH2 3.69Å; Y59-W167 HydrophobicContact CE2-CZ2 4.23Å; Y59-W167 AromaticContact CE2-CZ3 3.61Å; Y59-W167 HydrophobicContact CE2-CZ3 3.61Å; Y59-W167 HydrophobicContact CG-CH2 4.47Å; Y59-Y171 HydrophobicContact CE2-CE1 4.32Å; Y59-Y171 VanDerWaalsContact CE2-OH 3.27Å; Y59-Y171 WeakPolarHBondContact CE2-OH 3.49Å; Y59-Y171 PolarHBondContact OH-OH 3.46Å
60W98.4Very high97.3Very high41 Ų4163.3 Ų63.316%0.15533%0.325CS..Hα-helixtrans-61.9-38.6-178.1-62.3110.9000112.6V34 E45 P47 I52 E55 P57 T64V34-W60 HydrophobicContact CG1-CH2 4.09Å; V34-W60 HydrophobicContact CG1-CZ3 3.94Å; E45-W60 HydrophobicContact CB-CE3 4.13Å; E45-W60 HydrophobicContact CB-CZ3 4.48Å; E45-W60 HydrophobicContact CG-CE3 4.18Å; E45-W60 HydrophobicContact CG-CZ3 4.08Å; P47-W60 HydrophobicContact CB-CH2 3.64Å; P47-W60 HydrophobicContact CB-CZ2 4.02Å; P47-W60 HydrophobicContact CB-CZ3 4.46Å; P47-W60 HydrophobicContact CG-CH2 4.24Å; P47-W60 HydrophobicContact CG-CZ2 4.41Å; I52-W60 HydrophobicContact CB-CH2 4.39Å; I52-W60 HydrophobicContact CG1-CH2 3.66Å; I52-W60 HydrophobicContact CG1-CZ2 3.98Å; I52-W60 HydrophobicContact CG2-CH2 3.97Å; I52-W60 HydrophobicContact CG2-CZ2 4.4Å; I52-W60 WeakPolarHBondContact O-CZ2 3.38Å; E55-W60 HydrophobicContact CB-CZ2 4.4Å; E55-W60 PolarHBondContact O-NE1 2.82Å; P57-W60 PolarHBondContact O-N 3.06Å; W60-T64 WeakPolarHBondContact O-CB 3.23Å; W60-T64 PolarHBondContact O-N 3.26Å; W60-T64 PolarHBondContact O-OG1 2.71Å
61D98.4Very high97.4Very high107 Ų10759.6 Ų59.657%0.57230%0.303SS*.Hα-helixtrans-66.1-45.8175.1-77.4-19.5000111.3P57 Y59 T64 Q65P57-D61 WeakPolarHBondContact O-CB 3.47Å; P57-D61 PolarHBondContact O-N 3.01Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 2.7Å; D61-T64 PolarHBondContact O-N 3.17Å; D61-Q65 WeakPolarHBondContact O-CG 3.38Å; D61-Q65 PolarHBondContact O-N 3.03Å
62R98.1Very high97.6Very high117 Ų11763.6 Ų63.644%0.44232%0.322SS..Hα-helixtrans-60.2-53.1177.6179-179.2172.9-173.1-6.7111.4E58 Y59 T64 Q65 I66 E163E58-R62 VanDerWaalsContact O-CB 3.26Å; E58-R62 WeakPolarHBondContact O-CB 3.29Å; E58-R62 PolarHBondContact O-N 3.2Å; Y59-R62 PolarHBondContact O-N 3.47Å; Y59-R62 VanDerWaalsContact O-N 3.16Å; R62-T64 VanDerWaalsContact C-N 3.3Å; R62-T64 PolarHBondContact O-N 2.85Å; R62-Q65 PolarHBondContact O-N 3.03Å; R62-Q65 VanDerWaalsContact O-N 3.11Å; R62-I66 HydrophobicContact CG-CD1 3.95Å; R62-I66 WeakPolarHBondContact O-CG1 3.23Å; R62-I66 PolarHBondContact O-N 3.44Å; R62-E163 IonicContact CZ-OE2 3.78Å; R62-E163 IonicContact NH2-OE2 3.88Å; R62-E163 PolarHBondContact NH2-OE2 3.23Å
63E98.3Very high97.6Very high23 Ų2366.8 Ų66.811%0.10734%0.341CS..Hα-helixtrans-62.4-39.7-179-64.8-50.5119.100111.1E45 Y59 Q65 I66 C67E45-E63 HydrophobicContact CB-CB 4.09Å; E45-E63 HydrophobicContact CG-CB 3.97Å; Y59-E63 HydrophobicContact CD1-CG 4.44Å; Y59-E63 HydrophobicContact CD2-CG 4.05Å; Y59-E63 HydrophobicContact CE1-CG 4.1Å; Y59-E63 HydrophobicContact CE2-CG 3.71Å; Y59-E63 HydrophobicContact CG-CG 4.43Å; Y59-E63 WeakPolarHBondContact O-CG 3.22Å; Y59-E63 PolarHBondContact O-N 2.74Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 2.76Å; E63-I66 PolarHBondContact O-N 3.27Å; E63-C67 PolarHBondContact O-N 3.15Å; E63-C67 PolarHBondContact O-SG 3.13Å; E63-C67 VanDerWaalsContact O-SG 3.34Å
64T98.6Very high97.8Very high9 Ų960.7 Ų60.76%0.05531%0.313CS..Hα-helixtrans-58.5-42.7173.5-66.30000112.3F36 R44 E45 W60 D61 R62 K68F36-T64 HydrophobicContact CE2-CG2 4.49Å; R44-T64 HydrophobicContact CB-CG2 4.14Å; E45-T64 PolarHBondContact N-OG1 3.03Å; W60-T64 WeakPolarHBondContact O-CB 3.23Å; W60-T64 PolarHBondContact O-N 3.26Å; W60-T64 PolarHBondContact O-OG1 2.71Å; D61-T64 PolarHBondContact O-N 3.17Å; R62-T64 VanDerWaalsContact C-N 3.3Å; R62-T64 PolarHBondContact O-N 2.85Å; T64-K68 HydrophobicContact CG2-CD 4.16Å; T64-K68 WeakPolarHBondContact O-CG 3.33Å; T64-K68 PolarHBondContact O-N 2.94Å
65Q98.5Very high97.9Very high117 Ų11757 Ų5755%0.54729%0.294SS..Hα-helixtrans-68.6-38.5177.9-67.1-54.2-3900112.1D61 R62 E63 K68 A69D61-Q65 WeakPolarHBondContact O-CG 3.38Å; D61-Q65 PolarHBondContact O-N 3.03Å; R62-Q65 PolarHBondContact O-N 3.03Å; R62-Q65 VanDerWaalsContact O-N 3.11Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 2.76Å; Q65-K68 PolarHBondContact O-N 3.04Å; Q65-A69 WeakPolarHBondContact O-CB 3.34Å; Q65-A69 PolarHBondContact O-N 2.59Å
66I97.8Very high98Very high71 Ų7161.8 Ų61.836%0.36432%0.316SS..Hα-helixtrans-59.7-47.9174.9-69.5168.2000110.1R62 E63 K68 A69 K70R62-I66 HydrophobicContact CG-CD1 3.95Å; R62-I66 WeakPolarHBondContact O-CG1 3.23Å; R62-I66 PolarHBondContact O-N 3.44Å; E63-I66 PolarHBondContact O-N 3.27Å; I66-K68 PolarHBondContact O-N 3.26Å; I66-A69 PolarHBondContact O-N 2.8Å; I66-K70 WeakPolarHBondContact O-CB 3.45Å; I66-K70 PolarHBondContact O-N 3.36Å
67C98.4Very high98Very high7 Ų763.6 Ų63.65%0.04732%0.319CS..Hα-helixtrans-61.5-41177.6-70.30000112.5F22 T24 F36 E45 E63 K70 A71F22-C67 HydrophobicContact CE1-CB 4.13Å; T24-C67 WeakPolarHBondContact CG2-SG 3.47Å; F36-C67 HydrophobicContact CB-CB 4.23Å; F36-C67 HydrophobicContact CD1-CB 3.98Å; F36-C67 HydrophobicContact CD2-CB 3.63Å; F36-C67 HydrophobicContact CE1-CB 4.26Å; F36-C67 HydrophobicContact CE2-CB 3.94Å; F36-C67 HydrophobicContact CG-CB 3.7Å; F36-C67 HydrophobicContact CZ-CB 4.25Å; E45-C67 PolarHBondContact OE2-SG 3.15Å; E63-C67 PolarHBondContact O-N 3.15Å; E63-C67 PolarHBondContact O-SG 3.13Å; E63-C67 VanDerWaalsContact O-SG 3.34Å; C67-K70 PolarHBondContact O-N 2.81Å; C67-A71 WeakPolarHBondContact O-CB 3.36Å; C67-A71 PolarHBondContact O-N 3.18Å
68K98.3Very high98.1Very high84 Ų8459.6 Ų59.637%0.36529%0.293SS..Hα-helixtrans-65.2-41.6175-74.9174.6-179.11730112.4F36 P43 T64 Q65 I66 A71 Q72F36-K68 HydrophobicContact CE2-CG 4.16Å; F36-K68 HydrophobicContact CZ-CG 4.07Å; P43-K68 VanDerWaalsContact O-CE 3.25Å; P43-K68 WeakPolarHBondContact O-CE 3.13Å; P43-K68 PolarHBondContact O-NZ 3.22Å; T64-K68 HydrophobicContact CG2-CD 4.16Å; T64-K68 WeakPolarHBondContact O-CG 3.33Å; T64-K68 PolarHBondContact O-N 2.94Å; Q65-K68 PolarHBondContact O-N 3.04Å; I66-K68 PolarHBondContact O-N 3.26Å; K68-A71 PolarHBondContact O-N 2.04Å; K68-Q72 WeakPolarHBondContact O-CG 3.41Å; K68-Q72 PolarHBondContact O-N 3.11Å
69A98.3Very high98Very high56 Ų5658.8 Ų58.846%0.46328%0.284SS..Hα-helixtrans-63.6-45.6175.700000111Q65 I66 A71 Q72 T73Q65-A69 WeakPolarHBondContact O-CB 3.34Å; Q65-A69 PolarHBondContact O-N 2.59Å; I66-A69 PolarHBondContact O-N 2.8Å; A69-A71 VanDerWaalsContact C-N 3.34Å; A69-A71 PolarHBondContact O-N 3.47Å; A69-Q72 WeakPolarHBondContact O-CB 3.15Å; A69-Q72 PolarHBondContact O-N 2.69Å; A69-T73 PolarHBondContact O-N 2.92Å; A69-T73 PolarHBondContact O-OG1 2.85Å
70K98.1Very high98Very high44 Ų4459.5 Ų59.519%0.19129%0.29CS..Hα-helixtrans-61.2-40.6177.3-172.859.2162.473.20112.4F22 I66 C67 Q72 T73 D74F22-K70 HydrophobicContact CE2-CB 4.21Å; F22-K70 HydrophobicContact CE2-CG 3.63Å; F22-K70 HydrophobicContact CZ-CB 3.92Å; F22-K70 HydrophobicContact CZ-CG 3.69Å; I66-K70 WeakPolarHBondContact O-CB 3.45Å; I66-K70 PolarHBondContact O-N 3.36Å; C67-K70 PolarHBondContact O-N 2.81Å; K70-Q72 PolarHBondContact O-N 3.25Å; K70-T73 PolarHBondContact O-N 2.85Å; K70-D74 IonicContact NZ-OD1 3.38Å; K70-D74 PolarHBondContact NZ-OD1 3Å; K70-D74 IonicContact NZ-OD2 2.71Å; K70-D74 PolarHBondContact NZ-OD2 3.34Å; K70-D74 PolarHBondContact O-N 3.15Å
71A98.1Very high98Very high19 Ų1958 Ų5816%0.15728%0.284CS..Hα-helixtrans-59.5-35.3174.600000112.6F22 C67 K68 A69 R75F22-A71 HydrophobicContact CB-CB 3.63Å; F22-A71 HydrophobicContact CD1-CB 3.89Å; F22-A71 HydrophobicContact CD2-CB 4.27Å; F22-A71 HydrophobicContact CG-CB 3.67Å; C67-A71 WeakPolarHBondContact O-CB 3.36Å; C67-A71 PolarHBondContact O-N 3.18Å; K68-A71 PolarHBondContact O-N 2.04Å; A69-A71 VanDerWaalsContact C-N 3.34Å; A69-A71 PolarHBondContact O-N 3.47Å; A71-R75 PolarHBondContact O-N 2.8Å
72Q97.8Very high97.9Very high95 Ų9554 Ų5444%0.44426%0.263SS..Hα-helixtrans-71.5-43.6174.9-65.1-58.6-42.800112K68 A69 K70 R75 E76K68-Q72 WeakPolarHBondContact O-CG 3.41Å; K68-Q72 PolarHBondContact O-N 3.11Å; A69-Q72 WeakPolarHBondContact O-CB 3.15Å; A69-Q72 PolarHBondContact O-N 2.69Å; K70-Q72 PolarHBondContact O-N 3.25Å; Q72-R75 WeakPolarHBondContact O-CB 3.09Å; Q72-R75 PolarHBondContact O-N 3.11Å; Q72-E76 PolarHBondContact O-N 3.46Å
73T97.8Very high97.9Very high67 Ų6756.4 Ų56.441%0.41127%0.272SS..Hα-helixtrans-58.8-47.8174.8-58.90000111A69 K70 R75 E76 D77A69-T73 PolarHBondContact O-N 2.92Å; A69-T73 PolarHBondContact O-OG1 2.85Å; K70-T73 PolarHBondContact O-N 2.85Å; T73-R75 VanDerWaalsContact C-N 3.27Å; T73-R75 PolarHBondContact O-N 3.13Å; T73-E76 WeakPolarHBondContact O-CA 3.1Å; T73-E76 WeakPolarHBondContact O-CB 3.02Å; T73-E76 PolarHBondContact O-N 3.49Å; T73-D77 PolarHBondContact O-N 3.02Å
74D97.8Very high97.9Very high2 Ų257.8 Ų57.81%0.01128%0.277CS..Hα-helixtrans-64.2-32.6-179.2-75.86000112.9S11 K70 E76 D77 L78 L95S11-D74 WeakPolarHBondContact OG-CB 3.39Å; S11-D74 VanDerWaalsContact OG-CG 3.29Å; S11-D74 PolarHBondContact OG-OD2 3.03Å; K70-D74 IonicContact NZ-OD1 3.38Å; K70-D74 PolarHBondContact NZ-OD1 3Å; K70-D74 IonicContact NZ-OD2 2.71Å; K70-D74 PolarHBondContact NZ-OD2 3.34Å; K70-D74 PolarHBondContact O-N 3.15Å; D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.44Å; D74-D77 PolarHBondContact O-N 2.91Å; D74-L78 WeakPolarHBondContact O-CB 3.33Å; D74-L78 VanDerWaalsContact O-CG 3.25Å; D74-L78 WeakPolarHBondContact O-CG 3.39Å; D74-L78 PolarHBondContact O-N 3.36Å; D74-L95 HydrophobicContact CB-CD2 4.31Å
75R97.6Very high97.8Very high53 Ų5360.4 Ų60.420%0.229%0.286CS..Hα-helixtrans-60.5-41.6172.3177.4-175.269.9164.30.2111.4E19 P20 A71 Q72 T73 R79E19-R75 IonicContact OE1-CZ 3.53Å; E19-R75 IonicContact OE1-NH1 2.74Å; E19-R75 PolarHBondContact OE1-NH1 2.94Å; E19-R75 WeakPolarHBondContact OE2-CD 3.44Å; E19-R75 IonicContact OE2-NH1 3.85Å; P20-R75 HydrophobicContact CG-CB 4.24Å; P20-R75 HydrophobicContact CG-CG 4.17Å; A71-R75 PolarHBondContact O-N 2.8Å; Q72-R75 WeakPolarHBondContact O-CB 3.09Å; Q72-R75 PolarHBondContact O-N 3.11Å; T73-R75 VanDerWaalsContact C-N 3.27Å; T73-R75 PolarHBondContact O-N 3.13Å; R75-R79 WeakPolarHBondContact O-CG 3.41Å; R75-R79 PolarHBondContact O-N 3.35Å
76E97.6Very high97.8Very high110 Ų11062 Ų6251%0.51430%0.299SS..Hα-helixtrans-73.3-37.4177.9-65.8-178.5179.300111.9Q72 T73 D74 R79 T80Q72-E76 PolarHBondContact O-N 3.46Å; T73-E76 WeakPolarHBondContact O-CA 3.1Å; T73-E76 WeakPolarHBondContact O-CB 3.02Å; T73-E76 PolarHBondContact O-N 3.49Å; D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.44Å; E76-R79 PolarHBondContact O-N 2.68Å; E76-T80 PolarHBondContact O-N 2.97Å; E76-T80 PolarHBondContact O-OG1 2.8Å; E76-T80 VanDerWaalsContact O-OG1 3.1Å
77D97.9Very high97.7Very high65 Ų6561.6 Ų61.635%0.34830%0.295SS..Hα-helixtrans-65.4-43.2176.8-71.4-24000111.4T73 D74 R79 T80 L81 L95T73-D77 PolarHBondContact O-N 3.02Å; D74-D77 PolarHBondContact O-N 2.91Å; D77-R79 VanDerWaalsContact C-N 3.29Å; D77-R79 PolarHBondContact O-N 3.37Å; D77-T80 CarbonylContact O-C 3.6Å; D77-T80 WeakPolarHBondContact O-CA 3.38Å; D77-T80 WeakPolarHBondContact O-CB 3.46Å; D77-T80 PolarHBondContact O-N 3.01Å; D77-L81 WeakPolarHBondContact O-CB 3.45Å; D77-L81 VanDerWaalsContact O-CG 3.31Å; D77-L81 WeakPolarHBondContact O-CG 3.5Å; D77-L81 PolarHBondContact O-N 2.87Å; D77-L95 HydrophobicContact CB-CD2 3.77Å
78L98.1Very high97.5Very high5 Ų565.1 Ų65.13%0.02632%0.319CS..Hα-helixtrans-55.8-42.3173.2-77.4166.9000111.9P20 D74 T80 L81 L82 H93 L95 Y118P20-L78 HydrophobicContact CB-CD1 3.73Å; P20-L78 HydrophobicContact CG-CD1 3.7Å; D74-L78 WeakPolarHBondContact O-CB 3.33Å; D74-L78 VanDerWaalsContact O-CG 3.25Å; D74-L78 WeakPolarHBondContact O-CG 3.39Å; D74-L78 PolarHBondContact O-N 3.36Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 2.88Å; L78-L82 WeakPolarHBondContact O-CG 3.15Å; L78-L82 PolarHBondContact O-N 2.9Å; L78-H93 HydrophobicContact CD2-CB 4.29Å; L78-L95 HydrophobicContact CD2-CB 3.83Å; L78-L95 HydrophobicContact CG-CB 4.25Å; L78-Y118 HydrophobicContact CD2-CE2 4.1Å
79R96.4Very high97.1Very high129 Ų12968.9 Ų68.949%0.48734%0.338SS..Hα-helixtrans-67.3-31.9175.1-67.9173.7-176.9164.33112.6R75 E76 D77 R83R75-R79 WeakPolarHBondContact O-CG 3.41Å; R75-R79 PolarHBondContact O-N 3.35Å; E76-R79 PolarHBondContact O-N 2.68Å; D77-R79 VanDerWaalsContact C-N 3.29Å; D77-R79 PolarHBondContact O-N 3.37Å; R79-R83 PolarHBondContact O-NE 2.8Å
80T97.8Very high96.8Very high29 Ų2970 Ų7018%0.17835%0.348CS..Hα-helixtrans-73.8-43.4177.1-63.90000111.4E76 D77 L78 R83 Y84E76-T80 PolarHBondContact O-N 2.97Å; E76-T80 PolarHBondContact O-OG1 2.8Å; E76-T80 VanDerWaalsContact O-OG1 3.1Å; D77-T80 CarbonylContact O-C 3.6Å; D77-T80 WeakPolarHBondContact O-CA 3.38Å; D77-T80 WeakPolarHBondContact O-CB 3.46Å; D77-T80 PolarHBondContact O-N 3.01Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 2.87Å; T80-R83 WeakPolarHBondContact O-CB 3.18Å; T80-R83 PolarHBondContact O-N 3.08Å; T80-R83 VanDerWaalsContact O-N 3.11Å; T80-R83 PolarHBondContact OG1-NH2 2.95Å; T80-Y84 HydrophobicContact CG2-CD1 4.25Å; T80-Y84 HydrophobicContact CG2-CD2 4.26Å; T80-Y84 HydrophobicContact CG2-CE1 3.77Å; T80-Y84 HydrophobicContact CG2-CE2 3.76Å; T80-Y84 HydrophobicContact CG2-CG 4.5Å; T80-Y84 VanDerWaalsContact CG2-CZ 3.5Å; T80-Y84 PolarHBondContact O-N 3.04Å
81L98.1Very high96.5Very high8 Ų869.3 Ų69.34%0.04235%0.353CS..Hα-helixtrans-63.8-41.8177.7-69.3164.6000111.6D77 L78 R83 Y84 Y85 L95 Y118 Y123D77-L81 WeakPolarHBondContact O-CB 3.45Å; D77-L81 VanDerWaalsContact O-CG 3.31Å; D77-L81 WeakPolarHBondContact O-CG 3.5Å; D77-L81 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 2.88Å; L81-R83 PolarHBondContact O-N 3.34Å; L81-Y84 PolarHBondContact O-N 3.4Å; L81-Y84 VanDerWaalsContact O-N 3.08Å; L81-Y85 HydrophobicContact CD2-CE2 4.08Å; L81-Y85 WeakPolarHBondContact O-CD2 3.49Å; L81-Y85 PolarHBondContact O-N 2.99Å; L81-L95 HydrophobicContact CD1-CD1 3.89Å; L81-L95 HydrophobicContact CD1-CD2 4.27Å; L81-Y118 HydrophobicContact CB-CD2 4.23Å; L81-Y118 HydrophobicContact CB-CE1 4.09Å; L81-Y118 HydrophobicContact CB-CE2 3.77Å; L81-Y118 HydrophobicContact CD1-CD2 3.55Å; L81-Y118 HydrophobicContact CD1-CE2 3.8Å; L81-Y118 HydrophobicContact CD1-CG 4.09Å; L81-Y118 HydrophobicContact CG-CD2 4.37Å; L81-Y118 HydrophobicContact CG-CE2 4.36Å; L81-Y123 HydrophobicContact CD2-CD2 4.31Å; L81-Y123 HydrophobicContact CD2-CE1 4.05Å; L81-Y123 HydrophobicContact CD2-CE2 3.62Å; L81-Y123 VanDerWaalsContact CD2-CZ 3.47Å
82L97.3Very high96.5Very high25 Ų2572 Ų7213%0.13137%0.37CS..Hα-helixtrans-49.5-44.9170.7-81.6174.9000112.1L78 N86 Q87 H93L78-L82 WeakPolarHBondContact O-CG 3.15Å; L78-L82 PolarHBondContact O-N 2.9Å; L82-N86 PolarHBondContact O-N 3.35Å; L82-N86 VanDerWaalsContact O-N 3.1Å; L82-Q87 HydrophobicContact CD2-CB 3.65Å; L82-Q87 PolarHBondContact O-N 3.16Å; L82-H93 WeakPolarHBondContact CD2-CD2 3.43Å; L82-H93 WeakPolarHBondContact CD2-NE2 3.26Å
83R97.1Very high96.5Very high166 Ų16668.2 Ų68.263%0.62635%0.353SS*.Hα-helixtrans-71.5-41.2178.6-66.7178.6-68.81791.8112.3R79 T80 L81 Y85 N86R79-R83 PolarHBondContact O-NE 2.8Å; T80-R83 WeakPolarHBondContact O-CB 3.18Å; T80-R83 PolarHBondContact O-N 3.08Å; T80-R83 VanDerWaalsContact O-N 3.11Å; T80-R83 PolarHBondContact OG1-NH2 2.95Å; L81-R83 PolarHBondContact O-N 3.34Å; R83-Y85 VanDerWaalsContact C-N 3.27Å; R83-Y85 PolarHBondContact O-N 2.93Å; R83-N86 PolarHBondContact O-N 2.89Å
84Y97.9Very high96.6Very high52 Ų5266.8 Ų66.820%0.20434%0.344CS..Hα-helixtrans-61.8-38.3179.4-72.3-2.2000112.3T80 L81 I142 K146T80-Y84 HydrophobicContact CG2-CD1 4.25Å; T80-Y84 HydrophobicContact CG2-CD2 4.26Å; T80-Y84 HydrophobicContact CG2-CE1 3.77Å; T80-Y84 HydrophobicContact CG2-CE2 3.76Å; T80-Y84 HydrophobicContact CG2-CG 4.5Å; T80-Y84 VanDerWaalsContact CG2-CZ 3.5Å; T80-Y84 PolarHBondContact O-N 3.04Å; L81-Y84 PolarHBondContact O-N 3.4Å; L81-Y84 VanDerWaalsContact O-N 3.08Å; Y84-I142 HydrophobicContact CD1-CD1 4.33Å; Y84-I142 HydrophobicContact CE1-CD1 4.43Å; Y84-I142 HydrophobicContact CE1-CG2 4.2Å; Y84-I142 HydrophobicContact CE2-CB 4.13Å; Y84-I142 HydrophobicContact CE2-CG2 4Å; Y84-I142 HydrophobicContact CG-CD1 4.38Å; Y84-I142 WeakPolarHBondContact OH-CG2 2.99Å; Y84-K146 WeakPolarHBondContact OH-CE 3.4Å; Y84-K146 PolarHBondContact OH-NZ 3.44Å
85Y97.8Very high96.6Very high65 Ų6567.1 Ų67.126%0.25535%0.346SS..THydrogen-bonded Turntrans-93.53.1179.9-70.5-75.4000114.1L81 R83 Q87 Y118 Y123 D137 A139L81-Y85 HydrophobicContact CD2-CE2 4.08Å; L81-Y85 WeakPolarHBondContact O-CD2 3.49Å; L81-Y85 PolarHBondContact O-N 2.99Å; R83-Y85 VanDerWaalsContact C-N 3.27Å; R83-Y85 PolarHBondContact O-N 2.93Å; Y85-Q87 PolarHBondContact O-N 3.34Å; Y85-Y118 AromaticContact CD2-CD1 3.79Å; Y85-Y118 HydrophobicContact CD2-CD1 3.79Å; Y85-Y118 AromaticContact CD2-CE1 3.59Å; Y85-Y118 HydrophobicContact CD2-CE1 3.59Å; Y85-Y118 AromaticContact CE2-CD1 3.59Å; Y85-Y118 HydrophobicContact CE2-CD1 3.59Å; Y85-Y118 AromaticContact CE2-CE1 3.91Å; Y85-Y118 HydrophobicContact CE2-CE1 3.91Å; Y85-Y118 HydrophobicContact CG-CE1 4.36Å; Y85-Y123 HydrophobicContact CE2-CD2 4.33Å; Y85-Y123 AromaticContact CE2-CE2 3.95Å; Y85-Y123 HydrophobicContact CE2-CE2 3.95Å; Y85-Y123 VanDerWaalsContact OH-CD2 3.26Å; Y85-Y123 WeakPolarHBondContact OH-CD2 3.48Å; Y85-Y123 WeakPolarHBondContact OH-CE2 3.41Å; Y85-D137 VanDerWaalsContact CE1-OD2 3.22Å; Y85-D137 WeakPolarHBondContact CE1-OD2 3.47Å; Y85-D137 VanDerWaalsContact OH-CG 3.26Å; Y85-D137 PolarHBondContact OH-OD1 3.21Å; Y85-D137 PolarHBondContact OH-OD2 2.93Å; Y85-A139 HydrophobicContact CD1-CB 4.23Å; Y85-A139 HydrophobicContact CD2-CB 4.41Å; Y85-A139 HydrophobicContact CE1-CB 3.67Å; Y85-A139 HydrophobicContact CE2-CB 3.87Å; Y85-A139 VanDerWaalsContact CZ-CB 3.47Å
86N96.9Very high96.7Very high151 Ų15168.3 Ų68.381%0.80735%0.354SS*.THydrogen-bonded Turntrans50.640-174.7-58-64.1000113L82 R83L82-N86 PolarHBondContact O-N 3.35Å; L82-N86 VanDerWaalsContact O-N 3.1Å; R83-N86 PolarHBondContact O-N 2.89Å
87Q96.6Very high96.7Very high62 Ų6263.3 Ų63.329%0.2933%0.331SS..  trans-87.6155.7-178.1-71.5170.9-33.600111.7L82 Y85 H93 Y118 D119L82-Q87 HydrophobicContact CD2-CB 3.65Å; L82-Q87 PolarHBondContact O-N 3.16Å; Y85-Q87 PolarHBondContact O-N 3.34Å; Q87-H93 PolarHBondContact NE2-CE1 3.34Å; Q87-H93 PolarHBondContact OE1-CE1 3.02Å; Q87-H93 VanDerWaalsContact OE1-CE1 3.31Å; Q87-H93 PolarHBondContact OE1-ND1 2.7Å; Q87-Y118 VanDerWaalsContact OE1-CE1 3.28Å; Q87-Y118 PolarHBondContact OE1-OH 3.02Å; Q87-D119 PolarHBondContact NE2-OD2 2.82Å
88S93.6Very high96.7Very high80 Ų8061.5 Ų61.556%0.55932%0.32SS*.  trans-78.6142.4177.8178.40000111.7A90 G91S88-A90 PolarHBondContact O-N 2.96Å; S88-A90 VanDerWaalsContact O-N 3.15Å; S88-A90 PolarHBondContact OG-N 3.32Å; S88-G91 PolarHBondContact O-N 3.16Å
89E90.3Very high96.7Very high163 Ų16362.8 Ų62.876%0.76233%0.325SS*.THydrogen-bonded Turntrans-65.4-12.9172.5-60.7-172.8166.300113.7P15 G91P15-E89 VanDerWaalsContact CB-O 3.31Å; P15-E89 WeakPolarHBondContact CB-O 3.42Å; P15-E89 VanDerWaalsContact CG-O 3.24Å; P15-E89 WeakPolarHBondContact CG-O 3.26Å; E89-G91 VanDerWaalsContact C-N 3.31Å
90A91.5Very high96.8Very high81 Ų8156.7 Ų56.767%0.66930%0.302SS*.THydrogen-bonded Turntrans-77.4-17.5176.900000113S88S88-A90 PolarHBondContact O-N 2.96Å; S88-A90 VanDerWaalsContact O-N 3.15Å; S88-A90 PolarHBondContact OG-N 3.32Å
91G93.5Very high96.9Very high28 Ų2855.3 Ų55.329%0.28929%0.293SS..SBendtrans-81.1140.2179.100000112.5P15 S88 E89 H93P15-G91 WeakPolarHBondContact CG-O 3.3Å; S88-G91 PolarHBondContact O-N 3.16Å; E89-G91 VanDerWaalsContact C-N 3.31Å; G91-H93 PolarHBondContact O-CD2 2.8Å
92S97.1Very high96.9Very high75 Ų7555.9 Ų55.952%0.52430%0.297SS..  trans-82.6134.2165.6-178.50000108.9S13S13-S92 WeakPolarHBondContact O-CB 3.47Å; S13-S92 PolarHBondContact O-OG 2.66Å
93H98.3Very high96.9Very high16 Ų1654.9 Ų54.97%0.07429%0.291CS..  trans-130.9149.6-175.3-65.9-76000110.2V12 S13 L78 L82 Q87 G91 Y118 D119V12-H93 WeakPolarHBondContact CA-O 3.35Å; S13-H93 PolarHBondContact N-O 3.45Å; S13-H93 PolarHBondContact OG-N 3.29Å; S13-H93 PolarHBondContact OG-O 3.06Å; L78-H93 HydrophobicContact CD2-CB 4.29Å; L82-H93 WeakPolarHBondContact CD2-CD2 3.43Å; L82-H93 WeakPolarHBondContact CD2-NE2 3.26Å; Q87-H93 PolarHBondContact NE2-CE1 3.34Å; Q87-H93 PolarHBondContact OE1-CE1 3.02Å; Q87-H93 VanDerWaalsContact OE1-CE1 3.31Å; Q87-H93 PolarHBondContact OE1-ND1 2.7Å; G91-H93 PolarHBondContact O-CD2 2.8Å; H93-Y118 HydrophobicContact CB-CE2 3.89Å; H93-Y118 WeakPolarHBondContact CB-OH 3.1Å; H93-Y118 VanDerWaalsContact CG-OH 3.26Å; H93-Y118 AromaticContact ND1-CZ 3.94Å; H93-Y118 PolarHBondContact ND1-OH 3.41Å; H93-D119 WeakPolarHBondContact CA-OD1 3.24Å; H93-D119 WeakPolarHBondContact CB-OD1 3.31Å; H93-D119 IonicContact CE1-OD2 3.44Å; H93-D119 IonicContact CG-OD1 2.82Å; H93-D119 IonicContact CG-OD2 2.55Å; H93-D119 IonicContact ND1-OD1 3.19Å; H93-D119 PolarHBondContact ND1-OD1 3.21Å; H93-D119 IonicContact ND1-OD2 3.87Å; H93-D119 PolarHBondContact ND1-OD2 3.22Å
94T98.6Very high96.8Very high38 Ų3847.2 Ų47.223%0.23327%0.265CS..EExtended strand (participates in β ladder)trans-122124.5-177-56.60000110.4T10 S11 V12 Q96 Y118 D119T10-T94 HydrophobicContact CG2-CG2 4.05Å; S11-T94 CarbonylContact O-C 3.55Å; S11-T94 WeakPolarHBondContact O-CA 3.45Å; V12-T94 HydrophobicContact CG2-CG2 4.09Å; T94-Q96 HydrophobicContact CG2-CG 3.81Å; T94-Y118 CarbonylContact O-C 3.57Å; T94-Y118 WeakPolarHBondContact O-CA 3.24Å; T94-Y118 WeakPolarHBondContact O-CD2 3.25Å; T94-D119 PolarHBondContact N-OD1 3.31Å; T94-D119 PolarHBondContact O-N 2.85Å
95L98.8Very high96.5Very high9 Ų950.4 Ų50.45%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-106.9130.1168.6175.461.7000108.3S11 D74 D77 L78 L81S11-L95 PolarHBondContact N-O 3.32Å; S11-L95 PolarHBondContact O-N 2.85Å; D74-L95 HydrophobicContact CB-CD2 4.31Å; D77-L95 HydrophobicContact CB-CD2 3.77Å; L78-L95 HydrophobicContact CD2-CB 3.83Å; L78-L95 HydrophobicContact CG-CB 4.25Å; L81-L95 HydrophobicContact CD1-CD1 3.89Å; L81-L95 HydrophobicContact CD1-CD2 4.27Å
96Q98.7Very high96.3Very high77 Ų7752.5 Ų52.536%0.3631%0.307SS..EExtended strand (participates in β ladder)trans-126.1145.3176.9-57-177.9-90.200109.6H9 T10 T94 D116 A117H9-Q96 VanDerWaalsContact O-CA 3.28Å; H9-Q96 WeakPolarHBondContact O-CA 3.17Å; T10-Q96 HydrophobicContact CG2-CG 4.23Å; T94-Q96 HydrophobicContact CG2-CG 3.81Å; Q96-D116 CarbonylContact O-C 3.51Å; Q96-D116 VanDerWaalsContact O-CA 3.29Å; Q96-D116 WeakPolarHBondContact O-CA 3.36Å; Q96-A117 HydrophobicContact CB-CB 4.37Å; Q96-A117 PolarHBondContact N-O 2.71Å; Q96-A117 PolarHBondContact O-N 2.92Å
97N98.1Very high96.1Very high6 Ų646 Ų463%0.03228%0.276CS..EExtended strand (participates in β ladder)trans-136.6128174.5167.9-113.1000109H9 Y99 H114 Q115 D116H9-N97 HydrophobicContact CB-CB 4.07Å; H9-N97 PolarHBondContact N-O 2.86Å; H9-N97 PolarHBondContact ND1-OD1 3.34Å; H9-N97 PolarHBondContact O-N 2.88Å; N97-Y99 VanDerWaalsContact OD1-CD1 3.24Å; N97-Y99 WeakPolarHBondContact OD1-CD1 3.14Å; N97-H114 PolarHBondContact ND2-CE1 2.82Å; N97-Q115 CarbonylContact C-O 3.57Å; N97-Q115 VanDerWaalsContact CA-O 3.3Å; N97-Q115 WeakPolarHBondContact CA-O 3.11Å; N97-Q115 PolarHBondContact ND2-O 3.19Å; N97-D116 WeakPolarHBondContact CB-OD1 3.15Å; N97-D116 VanDerWaalsContact CG-OD1 3.29Å; N97-D116 PolarHBondContact ND2-OD1 3.16Å
98M98.4Very high96Very high26 Ų2651.1 Ų51.113%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-114.9126.6170.8-173.2-77-63.200108.9R6 Y7 F8 Y113 H114 Q115R6-M98 HydrophobicContact CG-SD 4.3Å; Y7-M98 WeakPolarHBondContact O-CA 3.35Å; F8-M98 HydrophobicContact CD1-CB 4Å; F8-M98 HydrophobicContact CD1-CG 3.63Å; F8-M98 HydrophobicContact CE1-CB 4.12Å; F8-M98 HydrophobicContact CE1-CG 3.35Å; F8-M98 HydrophobicContact CG-CG 4.41Å; F8-M98 HydrophobicContact CZ-CG 3.92Å; M98-Y113 HydrophobicContact CE-CD1 4.13Å; M98-Y113 HydrophobicContact CE-CG 4.23Å; M98-H114 CarbonylContact O-C 3.5Å; M98-H114 WeakPolarHBondContact O-CA 3.46Å; M98-Q115 HydrophobicContact CE-CB 4.43Å; M98-Q115 HydrophobicContact CE-CG 4.19Å; M98-Q115 PolarHBondContact N-O 3.33Å; M98-Q115 PolarHBondContact O-N 2.55Å
99Y98.4Very high96.2Very high33 Ų3349.5 Ų49.513%0.12928%0.278CS..EExtended strand (participates in β ladder)trans-144.4158.6176.170-74.6000110.6Y7 H9 N97 Y113 Y159Y7-Y99 VanDerWaalsContact CB-CZ 3.42Å; Y7-Y99 AromaticContact CD2-CE2 3.88Å; Y7-Y99 HydrophobicContact CD2-CE2 3.88Å; Y7-Y99 AromaticContact CD2-CZ 3.9Å; Y7-Y99 HydrophobicContact CG-CE1 4.16Å; Y7-Y99 HydrophobicContact CG-CE2 4.21Å; Y7-Y99 AromaticContact CG-CZ 3.74Å; Y7-Y99 PolarHBondContact N-O 3.19Å; Y7-Y99 PolarHBondContact O-N 2.78Å; Y7-Y99 VanDerWaalsContact O-N 3.15Å; H9-Y99 AromaticContact CE1-CE1 3.15Å; H9-Y99 WeakPolarHBondContact CE1-CE1 3.38Å; H9-Y99 AromaticContact CE1-CZ 3.69Å; H9-Y99 PolarHBondContact CE1-OH 2.86Å; H9-Y99 AromaticContact ND1-CE1 3.57Å; H9-Y99 AromaticContact NE2-CE1 3.59Å; H9-Y99 PolarHBondContact NE2-OH 3.44Å; N97-Y99 VanDerWaalsContact OD1-CD1 3.24Å; N97-Y99 WeakPolarHBondContact OD1-CD1 3.14Å; Y99-Y113 VanDerWaalsContact CA-O 3.23Å; Y99-Y113 WeakPolarHBondContact CA-O 3.49Å; Y99-Y113 WeakPolarHBondContact CB-O 3.26Å; Y99-Y159 AromaticContact CD2-CE1 3.86Å; Y99-Y159 HydrophobicContact CD2-CE1 3.86Å; Y99-Y159 HydrophobicContact CE2-CE1 4.03Å
100G98.4Very high96.6Very high0 Ų046.6 Ų46.60%027%0.266CS..EExtended strand (participates in β ladder)trans160-175.1-175.200000113.2M5 G112 Y113 L160M5-G100 CarbonylContact O-C 3.56Å; M5-G100 WeakPolarHBondContact O-CA 3.46Å; G100-G112 CarbonylContact O-C 3.58Å; G100-Y113 PolarHBondContact N-O 2.81Å; G100-Y113 PolarHBondContact O-N 2.85Å; G100-L160 WeakPolarHBondContact O-CD2 3.47Å
101C98.6Very high96.9Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-141.6148.6-179.452.70000111.5P4 M5 L109 R111 C164P4-C101 CarbonylContact C-O 3.45Å; P4-C101 WeakPolarHBondContact CA-O 3.16Å; M5-C101 PolarHBondContact N-O 3.25Å; M5-C101 PolarHBondContact O-N 2.84Å; C101-L109 HydrophobicContact CB-CD1 3.52Å; C101-R111 CarbonylContact C-O 3.52Å; C101-R111 VanDerWaalsContact CA-O 3.23Å; C101-R111 WeakPolarHBondContact CA-O 3.2Å; C101-C164 HydrophobicContact CB-CB 4.01Å; C101-C164 WeakPolarHBondContact CB-SG 3.41Å; C101-C164 PolarHBondContact N-SG 2.86Å; C101-C164 WeakPolarHBondContact SG-CB 3.19Å; C101-C164 PolarHBondContact SG-O 2.68Å; C101-C164 CovalentContact SG-SG 2.04Å; C101-C164 PolarHBondContact SG-SG 3.25Å
102D98.1Very high97.1Very high21 Ų2145.6 Ų45.611%0.11224%0.239CC..EExtended strand (participates in β ladder)trans-103.7131.8167-57.7-22.3000108.6T3 P4 R6 L110 R111 Y113T3-D102 CarbonylContact O-C 3.57Å; T3-D102 WeakPolarHBondContact O-CA 3.4Å; P4-D102 WeakPolarHBondContact CA-OD1 3.37Å; P4-D102 WeakPolarHBondContact CB-OD1 3.28Å; R6-D102 IonicContact CZ-OD1 3.44Å; R6-D102 IonicContact NH2-OD1 3.58Å; R6-D102 PolarHBondContact NH2-OD1 3.46Å; R6-D102 IonicContact NH2-OD2 3.72Å; D102-L110 HydrophobicContact CB-CB 4.45Å; D102-L110 PolarHBondContact O-N 2.81Å; D102-R111 HydrophobicContact CB-CB 4.27Å; D102-R111 PolarHBondContact N-O 2.85Å; D102-R111 PolarHBondContact O-N 3.16Å; D102-Y113 WeakPolarHBondContact OD1-CE2 3.18Å; D102-Y113 WeakPolarHBondContact OD2-CE2 3.37Å; D102-Y113 PolarHBondContact OD2-OH 3.44Å
103V97.4Very high97.2Very high3 Ų343.6 Ų43.62%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-110141.4173.9-64.20000111.3P2 T3 R108 V165 L168 L172P2-V103 CarbonylContact C-O 3.49Å; P2-V103 WeakPolarHBondContact CA-O 3.34Å; T3-V103 PolarHBondContact N-O 3.38Å; T3-V103 PolarHBondContact O-N 3.03Å; V103-R108 CarbonylContact C-O 3.58Å; V103-R108 VanDerWaalsContact CA-O 3.28Å; V103-R108 WeakPolarHBondContact CA-O 3.29Å; V103-V165 HydrophobicContact CG1-CB 4.3Å; V103-V165 HydrophobicContact CG1-CG1 3.92Å; V103-V165 HydrophobicContact CG1-CG2 4.01Å; V103-L168 HydrophobicContact CB-CD2 4.23Å; V103-L168 HydrophobicContact CG1-CD2 3.85Å; V103-L168 HydrophobicContact CG2-CD2 3.54Å; V103-L168 HydrophobicContact CG2-CG 3.95Å; V103-L172 HydrophobicContact CG2-CD1 4.4Å
104G95.9Very high97.2Very high6 Ų644 Ų446%0.06222%0.221CC..  trans-77.1173.6176.200000112.8D106 G107 R108G104-D106 PolarHBondContact O-N 3.4Å; G104-D106 VanDerWaalsContact O-N 3.17Å; G104-G107 WeakPolarHBondContact O-CA 3.3Å; G104-G107 PolarHBondContact O-N 2.85Å; G104-R108 PolarHBondContact N-O 2.8Å
105P92.4Very high97.2Very high119 Ų11946.1 Ų46.177%0.77323%0.229SC*.THydrogen-bonded Turntrans-60.1-23175.1-23.434.3000114.1G107P105-G107 PolarHBondContact O-N 3.08Å
106D92.8Very high97.2Very high108 Ų10846.8 Ų46.858%0.57823%0.232SC*.THydrogen-bonded Turntrans-82.73.6173.164.8-8.1000113G104 R108G104-D106 PolarHBondContact O-N 3.4Å; G104-D106 VanDerWaalsContact O-N 3.17Å; D106-R108 HydrophobicContact CB-CG 4.49Å; D106-R108 PolarHBondContact O-N 3.2Å; D106-R108 WeakPolarHBondContact OD1-CB 3.39Å; D106-R108 PolarHBondContact OD1-N 2.86Å; D106-R108 WeakPolarHBondContact OD2-CD 3.23Å; D106-R108 WeakPolarHBondContact OD2-CG 3.33Å
107G91.9Very high97.2Very high15 Ų1544 Ų4416%0.15522%0.223CC..SBendtrans74.11.6-177.900000114.3G104 P105 V165 R169G104-G107 WeakPolarHBondContact O-CA 3.3Å; G104-G107 PolarHBondContact O-N 2.85Å; P105-G107 PolarHBondContact O-N 3.08Å; G107-V165 WeakPolarHBondContact O-CG1 3.49Å; G107-R169 VanDerWaalsContact C-NH2 3.31Å; G107-R169 PolarHBondContact O-NE 3.4Å; G107-R169 PolarHBondContact O-NH2 2.85Å
108R96Very high97.2Very high169 Ų16944.2 Ų44.264%0.63822%0.223SC*.  trans-81.5152.9-177.6-61.1-179.370115.3-0.8111V103 G104 D106 L110V103-R108 CarbonylContact C-O 3.58Å; V103-R108 VanDerWaalsContact CA-O 3.28Å; V103-R108 WeakPolarHBondContact CA-O 3.29Å; G104-R108 PolarHBondContact N-O 2.8Å; D106-R108 HydrophobicContact CB-CG 4.49Å; D106-R108 PolarHBondContact O-N 3.2Å; D106-R108 WeakPolarHBondContact OD1-CB 3.39Å; D106-R108 PolarHBondContact OD1-N 2.86Å; D106-R108 WeakPolarHBondContact OD2-CD 3.23Å; D106-R108 WeakPolarHBondContact OD2-CG 3.33Å; R108-L110 PolarHBondContact O-N 2.66Å
109L97.9Very high97.2Very high47 Ų4745.9 Ų45.925%0.24623%0.233CC..EExtended strand (participates in β ladder)trans-56.8125.4171.4-175.868.4000109.7C101 R111 L130 E161 V165C101-L109 HydrophobicContact CB-CD1 3.52Å; L109-R111 WeakPolarHBondContact CD1-O 3.4Å; L109-L130 HydrophobicContact CD2-CD1 4.05Å; L109-E161 HydrophobicContact CD2-CB 4.42Å; L109-E161 HydrophobicContact CD2-CG 3.62Å; L109-V165 HydrophobicContact CB-CG2 3.91Å; L109-V165 HydrophobicContact CD1-CG2 3.95Å; L109-V165 HydrophobicContact CG-CG2 4.5Å
110L97.5Very high97.2Very high101 Ų10147.2 Ų47.253%0.52926%0.256SS..EExtended strand (participates in β ladder)trans-99.2-38.4168.6-71.2178000111.2P2 D102 R108P2-L110 HydrophobicContact CB-CD1 3.74Å; P2-L110 HydrophobicContact CG-CD1 3.65Å; D102-L110 HydrophobicContact CB-CB 4.45Å; D102-L110 PolarHBondContact O-N 2.81Å; R108-L110 PolarHBondContact O-N 2.66Å
111R97.8Very high97.2Very high82 Ų8254.6 Ų54.631%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-156.2137.8-177.8-174.3165.5179.8114.11.8111.9C101 D102 L109 Y113 E128C101-R111 CarbonylContact C-O 3.52Å; C101-R111 VanDerWaalsContact CA-O 3.23Å; C101-R111 WeakPolarHBondContact CA-O 3.2Å; D102-R111 HydrophobicContact CB-CB 4.27Å; D102-R111 PolarHBondContact N-O 2.85Å; D102-R111 PolarHBondContact O-N 3.16Å; L109-R111 WeakPolarHBondContact CD1-O 3.4Å; R111-Y113 HydrophobicContact CB-CE2 4.14Å; R111-Y113 VanDerWaalsContact CD-OH 3.23Å; R111-Y113 WeakPolarHBondContact CD-OH 3.47Å; R111-Y113 HydrophobicContact CG-CD2 4.33Å; R111-Y113 HydrophobicContact CG-CE1 4.07Å; R111-Y113 HydrophobicContact CG-CE2 3.75Å; R111-E128 IonicContact CZ-OE1 3.61Å; R111-E128 IonicContact NH1-OE1 3.86Å; R111-E128 PolarHBondContact NH1-OE1 2.89Å; R111-E128 IonicContact NH1-OE2 2.66Å; R111-E128 PolarHBondContact NH1-OE2 3.11Å; R111-E128 VanDerWaalsContact NH1-OE2 3.16Å; R111-E128 IonicContact NH2-OE1 2.78Å; R111-E128 PolarHBondContact NH2-OE1 2.99Å
112G98.3Very high97.2Very high6 Ų661.1 Ų61.16%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-107.9153168.900000111.5G100G100-G112 CarbonylContact O-C 3.58Å
113Y98.4Very high97.2Very high34 Ų3460.4 Ų60.413%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-134141-179.5-56.1-95.2000110.9R6 M98 Y99 G100 D102 R111R6-Y113 PolarHBondContact NH2-OH 2.78Å; M98-Y113 HydrophobicContact CE-CD1 4.13Å; M98-Y113 HydrophobicContact CE-CG 4.23Å; Y99-Y113 VanDerWaalsContact CA-O 3.23Å; Y99-Y113 WeakPolarHBondContact CA-O 3.49Å; Y99-Y113 WeakPolarHBondContact CB-O 3.26Å; G100-Y113 PolarHBondContact N-O 2.81Å; G100-Y113 PolarHBondContact O-N 2.85Å; D102-Y113 WeakPolarHBondContact OD1-CE2 3.18Å; D102-Y113 WeakPolarHBondContact OD2-CE2 3.37Å; D102-Y113 PolarHBondContact OD2-OH 3.44Å; R111-Y113 HydrophobicContact CB-CE2 4.14Å; R111-Y113 VanDerWaalsContact CD-OH 3.23Å; R111-Y113 WeakPolarHBondContact CD-OH 3.47Å; R111-Y113 HydrophobicContact CG-CD2 4.33Å; R111-Y113 HydrophobicContact CG-CE1 4.07Å; R111-Y113 HydrophobicContact CG-CE2 3.75Å
114H98.6Very high97.3Very high23 Ų2360.5 Ų60.511%0.10632%0.319CS..EExtended strand (participates in β ladder)trans-154.2114163.3-173.994.3000108N97 M98 A125 L126 W133 W147 L156N97-H114 PolarHBondContact ND2-CE1 2.82Å; M98-H114 CarbonylContact O-C 3.5Å; M98-H114 WeakPolarHBondContact O-CA 3.46Å; H114-A125 WeakPolarHBondContact O-CA 3.46Å; H114-L126 HydrophobicContact CB-CB 3.93Å; H114-L126 HydrophobicContact CB-CD2 4.3Å; H114-L126 PolarHBondContact O-N 2.8Å; H114-W133 AromaticContact CD2-CZ3 3.92Å; H114-W147 AromaticContact NE2-CH2 3.64Å; H114-W147 AromaticContact NE2-CZ3 3.87Å; H114-L156 HydrophobicContact CB-CD1 4.29Å
115Q98.6Very high97.4Very high84 Ų8461.4 Ų61.439%0.39333%0.326SS..EExtended strand (participates in β ladder)trans-139.9124.8-171.9-63.1179.6-22.300109.7N97 M98 A125N97-Q115 CarbonylContact C-O 3.57Å; N97-Q115 VanDerWaalsContact CA-O 3.3Å; N97-Q115 WeakPolarHBondContact CA-O 3.11Å; N97-Q115 PolarHBondContact ND2-O 3.19Å; M98-Q115 HydrophobicContact CE-CB 4.43Å; M98-Q115 HydrophobicContact CE-CG 4.19Å; M98-Q115 PolarHBondContact N-O 3.33Å; M98-Q115 PolarHBondContact O-N 2.55Å; Q115-A125 HydrophobicContact CG-CB 3.98Å
116D98.6Very high97.7Very high22 Ų2256.3 Ų56.312%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-106.7143.5173.9-65.2-29.8000111Q96 N97 Y123 I124 W147Q96-D116 CarbonylContact O-C 3.51Å; Q96-D116 VanDerWaalsContact O-CA 3.29Å; Q96-D116 WeakPolarHBondContact O-CA 3.36Å; N97-D116 WeakPolarHBondContact CB-OD1 3.15Å; N97-D116 VanDerWaalsContact CG-OD1 3.29Å; N97-D116 PolarHBondContact ND2-OD1 3.16Å; D116-Y123 HydrophobicContact CB-CD1 4.24Å; D116-Y123 WeakPolarHBondContact O-CB 3.46Å; D116-Y123 PolarHBondContact O-N 2.91Å; D116-I124 HydrophobicContact CB-CG2 4.07Å; D116-I124 PolarHBondContact N-O 3.43Å; D116-I124 PolarHBondContact O-N 3.14Å; D116-W147 WeakPolarHBondContact OD2-CH2 3.33Å
117A98.8Very high98Very high19 Ų1953.2 Ų53.216%0.15728%0.276CS..EExtended strand (participates in β ladder)trans-130.9144.4172.100000110.5Q96 K121Q96-A117 HydrophobicContact CB-CB 4.37Å; Q96-A117 PolarHBondContact N-O 2.71Å; Q96-A117 PolarHBondContact O-N 2.92Å; A117-K121 CarbonylContact C-O 3.55Å; A117-K121 WeakPolarHBondContact CA-O 3.45Å; A117-K121 VanDerWaalsContact CB-O 3.26Å; A117-K121 WeakPolarHBondContact CB-O 3.15Å
118Y98.8Very high98.3Very high10 Ų1059 Ų594%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-127.3128.3177.7-174.7-117.4000110.2L78 L81 Y85 Q87 H93 T94 G120 K121L78-Y118 HydrophobicContact CD2-CE2 4.1Å; L81-Y118 HydrophobicContact CB-CD2 4.23Å; L81-Y118 HydrophobicContact CB-CE1 4.09Å; L81-Y118 HydrophobicContact CB-CE2 3.77Å; L81-Y118 HydrophobicContact CD1-CD2 3.55Å; L81-Y118 HydrophobicContact CD1-CE2 3.8Å; L81-Y118 HydrophobicContact CD1-CG 4.09Å; L81-Y118 HydrophobicContact CG-CD2 4.37Å; L81-Y118 HydrophobicContact CG-CE2 4.36Å; Y85-Y118 AromaticContact CD2-CD1 3.79Å; Y85-Y118 HydrophobicContact CD2-CD1 3.79Å; Y85-Y118 AromaticContact CD2-CE1 3.59Å; Y85-Y118 HydrophobicContact CD2-CE1 3.59Å; Y85-Y118 AromaticContact CE2-CD1 3.59Å; Y85-Y118 HydrophobicContact CE2-CD1 3.59Å; Y85-Y118 AromaticContact CE2-CE1 3.91Å; Y85-Y118 HydrophobicContact CE2-CE1 3.91Å; Y85-Y118 HydrophobicContact CG-CE1 4.36Å; Q87-Y118 VanDerWaalsContact OE1-CE1 3.28Å; Q87-Y118 PolarHBondContact OE1-OH 3.02Å; H93-Y118 HydrophobicContact CB-CE2 3.89Å; H93-Y118 WeakPolarHBondContact CB-OH 3.1Å; H93-Y118 VanDerWaalsContact CG-OH 3.26Å; H93-Y118 AromaticContact ND1-CZ 3.94Å; H93-Y118 PolarHBondContact ND1-OH 3.41Å; T94-Y118 CarbonylContact O-C 3.57Å; T94-Y118 WeakPolarHBondContact O-CA 3.24Å; T94-Y118 WeakPolarHBondContact O-CD2 3.25Å; Y118-G120 PolarHBondContact O-N 2.92Å; Y118-K121 PolarHBondContact N-O 2.96Å; Y118-K121 PolarHBondContact O-N 3.26Å
119D98.3Very high98.4Very high62 Ų6255 Ų5533%0.33229%0.29SS..THydrogen-bonded Turntrans49.439.7-174.5-67-23.2000113.3Q87 H93 T94 K121Q87-D119 PolarHBondContact NE2-OD2 2.82Å; H93-D119 WeakPolarHBondContact CA-OD1 3.24Å; H93-D119 WeakPolarHBondContact CB-OD1 3.31Å; H93-D119 IonicContact CE1-OD2 3.44Å; H93-D119 IonicContact CG-OD1 2.82Å; H93-D119 IonicContact CG-OD2 2.55Å; H93-D119 IonicContact ND1-OD1 3.19Å; H93-D119 PolarHBondContact ND1-OD1 3.21Å; H93-D119 IonicContact ND1-OD2 3.87Å; H93-D119 PolarHBondContact ND1-OD2 3.22Å; T94-D119 PolarHBondContact N-OD1 3.31Å; T94-D119 PolarHBondContact O-N 2.85Å; D119-K121 VanDerWaalsContact C-N 3.31Å; D119-K121 PolarHBondContact O-N 3.47Å
120G97.6Very high98.4Very high60 Ų6053.3 Ų53.362%0.61928%0.281SS*.THydrogen-bonded Turntrans76.312.1177.400000115Y118Y118-G120 PolarHBondContact O-N 2.92Å
121K98.5Very high98.4Very high156 Ų15651.6 Ų51.668%0.67828%0.278SS*.EExtended strand (participates in β ladder)trans-117147175.4-61.7178.7-176.6175.30110.3A117 Y118 D119 Y123A117-K121 CarbonylContact C-O 3.55Å; A117-K121 WeakPolarHBondContact CA-O 3.45Å; A117-K121 VanDerWaalsContact CB-O 3.26Å; A117-K121 WeakPolarHBondContact CB-O 3.15Å; Y118-K121 PolarHBondContact N-O 2.96Å; Y118-K121 PolarHBondContact O-N 3.26Å; D119-K121 VanDerWaalsContact C-N 3.31Å; D119-K121 PolarHBondContact O-N 3.47Å; K121-Y123 PolarHBondContact O-N 3.41Å
122D98.7Very high98.4Very high137 Ų13749.5 Ų49.573%0.73328%0.275SS*.EExtended strand (participates in β ladder)trans-52.6136172.7-62.8-14.4000110.3A136D122-A136 HydrophobicContact CB-CB 4.16Å; D122-A136 WeakPolarHBondContact O-CB 3.06Å
123Y98.8Very high98.4Very high6 Ų649.7 Ų49.72%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-114.2-67178-177.8-110.3000110.4L81 Y85 D116 K121 A136 A139 A140 T143L81-Y123 HydrophobicContact CD2-CD2 4.31Å; L81-Y123 HydrophobicContact CD2-CE1 4.05Å; L81-Y123 HydrophobicContact CD2-CE2 3.62Å; L81-Y123 VanDerWaalsContact CD2-CZ 3.47Å; Y85-Y123 HydrophobicContact CE2-CD2 4.33Å; Y85-Y123 AromaticContact CE2-CE2 3.95Å; Y85-Y123 HydrophobicContact CE2-CE2 3.95Å; Y85-Y123 VanDerWaalsContact OH-CD2 3.26Å; Y85-Y123 WeakPolarHBondContact OH-CD2 3.48Å; Y85-Y123 WeakPolarHBondContact OH-CE2 3.41Å; D116-Y123 HydrophobicContact CB-CD1 4.24Å; D116-Y123 WeakPolarHBondContact O-CB 3.46Å; D116-Y123 PolarHBondContact O-N 2.91Å; K121-Y123 PolarHBondContact O-N 3.41Å; Y123-A136 WeakPolarHBondContact O-CB 3.48Å; Y123-A136 PolarHBondContact O-N 2.63Å; Y123-A139 HydrophobicContact CE2-CB 4.46Å; Y123-A139 PolarHBondContact OH-O 2.93Å; Y123-A140 HydrophobicContact CD2-CB 3.82Å; Y123-A140 HydrophobicContact CE1-CB 4.43Å; Y123-A140 HydrophobicContact CE2-CB 3.71Å; Y123-A140 HydrophobicContact CG-CB 4.24Å; Y123-A140 WeakPolarHBondContact O-CB 3.06Å; Y123-T143 HydrophobicContact CE1-CG2 4.25Å; Y123-T143 PolarHBondContact OH-OG1 2.99Å
124I98.8Very high98.4Very high4 Ų451.8 Ų51.82%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-146.9143.4177.6-163171.8000110.6D116 W133 T134 T143 Q144 W147D116-I124 HydrophobicContact CB-CG2 4.07Å; D116-I124 PolarHBondContact N-O 3.43Å; D116-I124 PolarHBondContact O-N 3.14Å; I124-W133 HydrophobicContact CD1-CB 4.25Å; I124-W133 HydrophobicContact CD1-CD2 4.41Å; I124-W133 HydrophobicContact CD1-CE3 4.18Å; I124-W133 HydrophobicContact CD1-CG 4.45Å; I124-W133 HydrophobicContact CG1-CB 4.38Å; I124-W133 HydrophobicContact CG1-CE3 4.05Å; I124-T134 WeakPolarHBondContact CA-O 3.33Å; I124-T143 HydrophobicContact CD1-CG2 4.14Å; I124-Q144 HydrophobicContact CD1-CB 3.83Å; I124-W147 HydrophobicContact CD1-CE3 4.29Å; I124-W147 HydrophobicContact CG2-CH2 4.29Å; I124-W147 HydrophobicContact CG2-CZ3 3.96Å
125A98.8Very high98.4Very high25 Ų2551.8 Ų51.821%0.20730%0.295CS..EExtended strand (participates in β ladder)trans-134.7139.6178.900000111.8H114 Q115 W133 T134H114-A125 WeakPolarHBondContact O-CA 3.46Å; Q115-A125 HydrophobicContact CG-CB 3.98Å; A125-W133 WeakPolarHBondContact O-CA 3.32Å; A125-T134 PolarHBondContact N-O 2.94Å; A125-T134 PolarHBondContact O-N 2.8Å
126L98.8Very high98.4Very high13 Ų1350.6 Ų50.67%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-71.7128.7168-174.967.6000108.7H114 L130 W133 A153 L156 L160H114-L126 HydrophobicContact CB-CB 3.93Å; H114-L126 HydrophobicContact CB-CD2 4.3Å; H114-L126 PolarHBondContact O-N 2.8Å; L126-L130 HydrophobicContact CD2-CD2 3.76Å; L126-L130 HydrophobicContact CG-CD2 4.31Å; L126-W133 HydrophobicContact CB-CE3 4.06Å; L126-W133 HydrophobicContact CB-CH2 4.12Å; L126-W133 HydrophobicContact CB-CZ3 3.65Å; L126-W133 HydrophobicContact CD1-CD2 4.21Å; L126-W133 HydrophobicContact CD1-CE3 4.25Å; L126-W133 HydrophobicContact CD1-CH2 3.98Å; L126-W133 HydrophobicContact CD1-CZ2 3.91Å; L126-W133 HydrophobicContact CD1-CZ3 4.12Å; L126-W133 HydrophobicContact CG-CZ3 4.48Å; L126-A153 HydrophobicContact CD1-CB 3.93Å; L126-L156 HydrophobicContact CD2-CB 4.33Å; L126-L160 HydrophobicContact CD2-CD1 3.8Å
127N98.6Very high98.4Very high42 Ų4252.3 Ų52.323%0.22531%0.308CS..  trans-74.9164.5178.6-66.8-29.4000111.3D129 L130 S132 W133 T134N127-D129 PolarHBondContact O-N 2.87Å; N127-D129 VanDerWaalsContact O-N 3.11Å; N127-L130 PolarHBondContact O-N 3.27Å; N127-S132 WeakPolarHBondContact CB-O 3.49Å; N127-S132 WeakPolarHBondContact CB-OG 3.47Å; N127-S132 PolarHBondContact N-O 2.87Å; N127-S132 PolarHBondContact ND2-OG 3.43Å; N127-W133 PolarHBondContact ND2-N 3.32Å; N127-T134 PolarHBondContact ND2-OG1 3.11Å; N127-T134 WeakPolarHBondContact OD1-CB 3.42Å; N127-T134 PolarHBondContact OD1-OG1 3.12Å
128E97.7Very high98.4Very high138 Ų13856.6 Ų56.665%0.64533%0.333SS*.THydrogen-bonded Turntrans-61.8-22.7-176.4-50.9-169.6174.100113.7R111 L130R111-E128 IonicContact CZ-OE1 3.61Å; R111-E128 IonicContact NH1-OE1 3.86Å; R111-E128 PolarHBondContact NH1-OE1 2.89Å; R111-E128 IonicContact NH1-OE2 2.66Å; R111-E128 PolarHBondContact NH1-OE2 3.11Å; R111-E128 VanDerWaalsContact NH1-OE2 3.16Å; R111-E128 IonicContact NH2-OE1 2.78Å; R111-E128 PolarHBondContact NH2-OE1 2.99Å; E128-L130 PolarHBondContact O-N 3.23Å
129D97.8Very high98.3Very high84 Ų8456.5 Ų56.545%0.44933%0.334SS..THydrogen-bonded Turntrans-72.1-5.9174.966.823.2000113.6N127 S131 S132N127-D129 PolarHBondContact O-N 2.87Å; N127-D129 VanDerWaalsContact O-N 3.11Å; D129-S131 PolarHBondContact O-N 2.65Å; D129-S131 VanDerWaalsContact O-N 3.12Å; D129-S131 WeakPolarHBondContact OD1-CA 3.48Å; D129-S131 PolarHBondContact OD1-N 3.42Å; D129-S131 PolarHBondContact OD1-OG 2.86Å; D129-S131 PolarHBondContact OD2-OG 3.15Å; D129-S132 VanDerWaalsContact CG-OG 3.27Å; D129-S132 PolarHBondContact OD1-N 3.47Å; D129-S132 PolarHBondContact OD1-OG 2.83Å; D129-S132 WeakPolarHBondContact OD2-CB 3.42Å; D129-S132 PolarHBondContact OD2-OG 2.83Å
130L98.1Very high98.3Very high11 Ų1153.6 Ų53.66%0.05832%0.318CS..SBendtrans52.530.3-177.9-52.5-177.2000113.5L109 L126 N127 E128 R157 L160L109-L130 HydrophobicContact CD2-CD1 4.05Å; L126-L130 HydrophobicContact CD2-CD2 3.76Å; L126-L130 HydrophobicContact CG-CD2 4.31Å; N127-L130 PolarHBondContact O-N 3.27Å; E128-L130 PolarHBondContact O-N 3.23Å; L130-R157 HydrophobicContact CB-CB 4.16Å; L130-R157 HydrophobicContact CB-CG 3.96Å; L130-R157 HydrophobicContact CD1-CG 4.17Å; L130-L160 HydrophobicContact CD2-CD1 4.03Å
131S97.7Very high98.4Very high65 Ų6554.2 Ų54.246%0.45531%0.305SS..SBendtrans-141.1-25.4-174.969.70000113.5D129D129-S131 PolarHBondContact O-N 2.65Å; D129-S131 VanDerWaalsContact O-N 3.12Å; D129-S131 WeakPolarHBondContact OD1-CA 3.48Å; D129-S131 PolarHBondContact OD1-N 3.42Å; D129-S131 PolarHBondContact OD1-OG 2.86Å; D129-S131 PolarHBondContact OD2-OG 3.15Å
132S98.1Very high98.4Very high38 Ų3849.9 Ų49.927%0.26629%0.289SS..  trans-119.9163.6-178.771.20000112.1N127 D129N127-S132 WeakPolarHBondContact CB-O 3.49Å; N127-S132 WeakPolarHBondContact CB-OG 3.47Å; N127-S132 PolarHBondContact N-O 2.87Å; N127-S132 PolarHBondContact ND2-OG 3.43Å; D129-S132 VanDerWaalsContact CG-OG 3.27Å; D129-S132 PolarHBondContact OD1-N 3.47Å; D129-S132 PolarHBondContact OD1-OG 2.83Å; D129-S132 WeakPolarHBondContact OD2-CB 3.42Å; D129-S132 PolarHBondContact OD2-OG 2.83Å
133W98.7Very high98.4Very high11 Ų1144.2 Ų44.24%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-122.1145.7-174.5-61.996.9000111.4H114 I124 A125 L126 N127 Q144 W147 A153 L156H114-W133 AromaticContact CD2-CZ3 3.92Å; I124-W133 HydrophobicContact CD1-CB 4.25Å; I124-W133 HydrophobicContact CD1-CD2 4.41Å; I124-W133 HydrophobicContact CD1-CE3 4.18Å; I124-W133 HydrophobicContact CD1-CG 4.45Å; I124-W133 HydrophobicContact CG1-CB 4.38Å; I124-W133 HydrophobicContact CG1-CE3 4.05Å; A125-W133 WeakPolarHBondContact O-CA 3.32Å; L126-W133 HydrophobicContact CB-CE3 4.06Å; L126-W133 HydrophobicContact CB-CH2 4.12Å; L126-W133 HydrophobicContact CB-CZ3 3.65Å; L126-W133 HydrophobicContact CD1-CD2 4.21Å; L126-W133 HydrophobicContact CD1-CE3 4.25Å; L126-W133 HydrophobicContact CD1-CH2 3.98Å; L126-W133 HydrophobicContact CD1-CZ2 3.91Å; L126-W133 HydrophobicContact CD1-CZ3 4.12Å; L126-W133 HydrophobicContact CG-CZ3 4.48Å; N127-W133 PolarHBondContact ND2-N 3.32Å; W133-Q144 HydrophobicContact CB-CG 4.04Å; W133-Q144 PolarHBondContact O-NE2 3.2Å; W133-W147 HydrophobicContact CD2-CE3 4.11Å; W133-W147 AromaticContact CE2-CE3 3.86Å; W133-W147 AromaticContact CE3-CE3 3.97Å; W133-W147 HydrophobicContact CE3-CE3 3.97Å; W133-W147 HydrophobicContact CE3-CZ3 4.1Å; W133-W147 HydrophobicContact CH2-CD2 4.46Å; W133-W147 AromaticContact CH2-CE3 3.24Å; W133-W147 HydrophobicContact CH2-CE3 3.24Å; W133-W147 HydrophobicContact CH2-CH2 4.49Å; W133-W147 AromaticContact CH2-CZ3 3.27Å; W133-W147 HydrophobicContact CH2-CZ3 3.27Å; W133-W147 HydrophobicContact CZ2-CD2 4.39Å; W133-W147 AromaticContact CZ2-CE3 3.44Å; W133-W147 HydrophobicContact CZ2-CE3 3.44Å; W133-W147 VanDerWaalsContact CZ2-CE3 3.44Å; W133-W147 AromaticContact CZ2-CZ3 3.99Å; W133-W147 HydrophobicContact CZ2-CZ3 3.99Å; W133-W147 AromaticContact CZ3-CE3 3.56Å; W133-W147 HydrophobicContact CZ3-CE3 3.56Å; W133-W147 AromaticContact CZ3-CZ3 3.37Å; W133-W147 HydrophobicContact CZ3-CZ3 3.37Å; W133-A153 HydrophobicContact CZ2-CB 4.15Å; W133-L156 HydrophobicContact CH2-CD1 3.3Å; W133-L156 HydrophobicContact CZ2-CD1 3.8Å; W133-L156 HydrophobicContact CZ3-CD1 4.42Å
134T98.7Very high98.4Very high78 Ų7845.7 Ų45.748%0.47927%0.266SS..EExtended strand (participates in β ladder)trans-109.8114.3165.8-65.30000109I124 A125 N127I124-T134 WeakPolarHBondContact CA-O 3.33Å; A125-T134 PolarHBondContact N-O 2.94Å; A125-T134 PolarHBondContact O-N 2.8Å; N127-T134 PolarHBondContact ND2-OG1 3.11Å; N127-T134 WeakPolarHBondContact OD1-CB 3.42Å; N127-T134 PolarHBondContact OD1-OG1 3.12Å
135A98.7Very high98.4Very high23 Ų2353.1 Ų53.119%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-94132.317400000110.5A140 Q141 Q144A135-A140 HydrophobicContact CB-CB 3.76Å; A135-Q141 HydrophobicContact CB-CG 3.92Å; A135-Q144 HydrophobicContact CB-CB 4.35Å
136A98.6Very high98.3Very high58 Ų5857.4 Ų57.448%0.47931%0.308SS..SBendtrans-77-30-175.600000113.5D122 Y123D122-A136 HydrophobicContact CB-CB 4.16Å; D122-A136 WeakPolarHBondContact O-CB 3.06Å; Y123-A136 WeakPolarHBondContact O-CB 3.48Å; Y123-A136 PolarHBondContact O-N 2.63Å
137D98.3Very high98.3Very high58 Ų5860.3 Ų60.331%0.3132%0.318SS..SBendtrans-149-176.6-179.168.926.3000113.2Y85 A139 A140 Q141Y85-D137 VanDerWaalsContact CE1-OD2 3.22Å; Y85-D137 WeakPolarHBondContact CE1-OD2 3.47Å; Y85-D137 VanDerWaalsContact OH-CG 3.26Å; Y85-D137 PolarHBondContact OH-OD1 3.21Å; Y85-D137 PolarHBondContact OH-OD2 2.93Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 2.83Å; D137-A139 WeakPolarHBondContact OD1-CA 3.41Å; D137-A139 WeakPolarHBondContact OD1-CB 3.37Å; D137-A139 PolarHBondContact OD1-N 2.89Å; D137-A140 PolarHBondContact O-N 3.48Å; D137-A140 PolarHBondContact OD1-N 3.18Å; D137-Q141 WeakPolarHBondContact O-CG 3.26Å; D137-Q141 PolarHBondContact O-N 3.46Å
138T98.1Very high98.3Very high109 Ų10962.8 Ų62.867%0.66933%0.329SS*.Hα-helixtrans-65.3-30.3-179.1-47.70000113.4
139A97.9Very high98.3Very high9 Ų960.4 Ų60.47%0.07433%0.333CS..Hα-helixtrans-71.2-44.5175.800000110.2Y85 Y123 D137 Q141 I142Y85-A139 HydrophobicContact CD1-CB 4.23Å; Y85-A139 HydrophobicContact CD2-CB 4.41Å; Y85-A139 HydrophobicContact CE1-CB 3.67Å; Y85-A139 HydrophobicContact CE2-CB 3.87Å; Y85-A139 VanDerWaalsContact CZ-CB 3.47Å; Y123-A139 HydrophobicContact CE2-CB 4.46Å; Y123-A139 PolarHBondContact OH-O 2.93Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact O-N 2.83Å; D137-A139 WeakPolarHBondContact OD1-CA 3.41Å; D137-A139 WeakPolarHBondContact OD1-CB 3.37Å; D137-A139 PolarHBondContact OD1-N 2.89Å; A139-Q141 VanDerWaalsContact C-N 3.26Å; A139-Q141 PolarHBondContact O-N 3.14Å; A139-I142 VanDerWaalsContact O-CB 3.24Å; A139-I142 WeakPolarHBondContact O-CB 3.22Å; A139-I142 PolarHBondContact O-N 3.31Å
140A98.5Very high98.3Very high0 Ų059.3 Ų59.30%034%0.335CS..Hα-helixtrans-60.4-32.9174.300000113.1Y123 A135 D137 I142 T143 Q144Y123-A140 HydrophobicContact CD2-CB 3.82Å; Y123-A140 HydrophobicContact CE1-CB 4.43Å; Y123-A140 HydrophobicContact CE2-CB 3.71Å; Y123-A140 HydrophobicContact CG-CB 4.24Å; Y123-A140 WeakPolarHBondContact O-CB 3.06Å; A135-A140 HydrophobicContact CB-CB 3.76Å; D137-A140 PolarHBondContact O-N 3.48Å; D137-A140 PolarHBondContact OD1-N 3.18Å; A140-I142 PolarHBondContact O-N 2.65Å; A140-T143 WeakPolarHBondContact O-CB 3.32Å; A140-T143 PolarHBondContact O-N 3.42Å; A140-T143 VanDerWaalsContact O-N 3.07Å; A140-Q144 PolarHBondContact O-N 3.34Å
141Q98.7Very high98.2Very high74 Ų7466.1 Ų66.135%0.34636%0.36SS..Hα-helixtrans-61.4-25.8173.2-74175.53.800113.1A135 D137 A139 R145A135-Q141 HydrophobicContact CB-CG 3.92Å; D137-Q141 WeakPolarHBondContact O-CG 3.26Å; D137-Q141 PolarHBondContact O-N 3.46Å; A139-Q141 VanDerWaalsContact C-N 3.26Å; A139-Q141 PolarHBondContact O-N 3.14Å; Q141-R145 WeakPolarHBondContact O-CG 3.39Å; Q141-R145 PolarHBondContact O-N 3.15Å
142I98.4Very high98.2Very high65 Ų6563.6 Ų63.633%0.33334%0.344SS..Hα-helixtrans-67.8-45.7173.5-56.2170.7000109.6Y84 A139 A140 K146Y84-I142 HydrophobicContact CD1-CD1 4.33Å; Y84-I142 HydrophobicContact CE1-CD1 4.43Å; Y84-I142 HydrophobicContact CE1-CG2 4.2Å; Y84-I142 HydrophobicContact CE2-CB 4.13Å; Y84-I142 HydrophobicContact CE2-CG2 4Å; Y84-I142 HydrophobicContact CG-CD1 4.38Å; Y84-I142 WeakPolarHBondContact OH-CG2 2.99Å; A139-I142 VanDerWaalsContact O-CB 3.24Å; A139-I142 WeakPolarHBondContact O-CB 3.22Å; A139-I142 PolarHBondContact O-N 3.31Å; A140-I142 PolarHBondContact O-N 2.65Å; I142-K146 WeakPolarHBondContact O-CG 3.38Å; I142-K146 PolarHBondContact O-N 3.03Å
143T98.2Very high98.2Very high17 Ų1762.1 Ų62.110%0.10433%0.334CS..Hα-helixtrans-62.2-46.5174.7-67.30000111Y123 I124 A140 R145 K146 W147Y123-T143 HydrophobicContact CE1-CG2 4.25Å; Y123-T143 PolarHBondContact OH-OG1 2.99Å; I124-T143 HydrophobicContact CD1-CG2 4.14Å; A140-T143 WeakPolarHBondContact O-CB 3.32Å; A140-T143 PolarHBondContact O-N 3.42Å; A140-T143 VanDerWaalsContact O-N 3.07Å; T143-R145 PolarHBondContact O-N 3.33Å; T143-K146 WeakPolarHBondContact O-CB 3.39Å; T143-K146 PolarHBondContact O-N 2.83Å; T143-K146 VanDerWaalsContact O-N 3.11Å; T143-W147 HydrophobicContact CG2-CD2 3.79Å; T143-W147 HydrophobicContact CG2-CE3 4.28Å; T143-W147 HydrophobicContact CG2-CG 4.14Å; T143-W147 HydrophobicContact CG2-CH2 4.48Å; T143-W147 HydrophobicContact CG2-CZ2 3.98Å; T143-W147 PolarHBondContact O-N 3.41Å
144Q98.6Very high98.2Very high38 Ų3865.2 Ų65.218%0.17835%0.349CS..Hα-helixtrans-51.1-54.1178.2176.2173.81900112I124 W133 A135 A140 K146 W147 E148I124-Q144 HydrophobicContact CD1-CB 3.83Å; W133-Q144 HydrophobicContact CB-CG 4.04Å; W133-Q144 PolarHBondContact O-NE2 3.2Å; A135-Q144 HydrophobicContact CB-CB 4.35Å; A140-Q144 PolarHBondContact O-N 3.34Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.39Å; Q144-W147 PolarHBondContact O-N 3.49Å; Q144-W147 VanDerWaalsContact O-N 3.15Å; Q144-E148 HydrophobicContact CG-CG 4.33Å; Q144-E148 VanDerWaalsContact CG-OE1 3.23Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.41Å; Q144-E148 PolarHBondContact NE2-OE1 3.21Å; Q144-E148 WeakPolarHBondContact O-CB 3.34Å; Q144-E148 WeakPolarHBondContact O-CG 3.48Å; Q144-E148 PolarHBondContact O-N 3.21Å
145R98.6Very high98Very high159 Ų15968.3 Ų68.360%0.636%0.358SS*.Hα-helixtrans-60.6-37.7-178.8-68.9171.9-167.9158.57.7112.5Q141 T143 A149Q141-R145 WeakPolarHBondContact O-CG 3.39Å; Q141-R145 PolarHBondContact O-N 3.15Å; T143-R145 PolarHBondContact O-N 3.33Å; R145-A149 WeakPolarHBondContact O-CB 3.43Å; R145-A149 PolarHBondContact O-N 3.46Å
146K97.9Very high98Very high116 Ų11669.1 Ų69.150%0.50436%0.359SS..Hα-helixtrans-65.4-45.4176.4-73.2176.6169.8-170.10111.3Y84 I142 T143 Q144 A149 A150Y84-K146 WeakPolarHBondContact OH-CE 3.4Å; Y84-K146 PolarHBondContact OH-NZ 3.44Å; I142-K146 WeakPolarHBondContact O-CG 3.38Å; I142-K146 PolarHBondContact O-N 3.03Å; T143-K146 WeakPolarHBondContact O-CB 3.39Å; T143-K146 PolarHBondContact O-N 2.83Å; T143-K146 VanDerWaalsContact O-N 3.11Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.39Å; K146-A149 PolarHBondContact O-N 2.86Å; K146-A150 WeakPolarHBondContact O-CB 3.27Å; K146-A150 PolarHBondContact O-N 2.78Å
147W98Very high97.9Very high73 Ų7370.4 Ų70.428%0.27735%0.352SS..Hα-helixtrans-69.4-37.4-179-73.88.7000112H114 D116 I124 W133 T143 Q144 A150 R151 G152H114-W147 AromaticContact NE2-CH2 3.64Å; H114-W147 AromaticContact NE2-CZ3 3.87Å; D116-W147 WeakPolarHBondContact OD2-CH2 3.33Å; I124-W147 HydrophobicContact CD1-CE3 4.29Å; I124-W147 HydrophobicContact CG2-CH2 4.29Å; I124-W147 HydrophobicContact CG2-CZ3 3.96Å; W133-W147 HydrophobicContact CD2-CE3 4.11Å; W133-W147 AromaticContact CE2-CE3 3.86Å; W133-W147 AromaticContact CE3-CE3 3.97Å; W133-W147 HydrophobicContact CE3-CE3 3.97Å; W133-W147 HydrophobicContact CE3-CZ3 4.1Å; W133-W147 HydrophobicContact CH2-CD2 4.46Å; W133-W147 AromaticContact CH2-CE3 3.24Å; W133-W147 HydrophobicContact CH2-CE3 3.24Å; W133-W147 HydrophobicContact CH2-CH2 4.49Å; W133-W147 AromaticContact CH2-CZ3 3.27Å; W133-W147 HydrophobicContact CH2-CZ3 3.27Å; W133-W147 HydrophobicContact CZ2-CD2 4.39Å; W133-W147 AromaticContact CZ2-CE3 3.44Å; W133-W147 HydrophobicContact CZ2-CE3 3.44Å; W133-W147 VanDerWaalsContact CZ2-CE3 3.44Å; W133-W147 AromaticContact CZ2-CZ3 3.99Å; W133-W147 HydrophobicContact CZ2-CZ3 3.99Å; W133-W147 AromaticContact CZ3-CE3 3.56Å; W133-W147 HydrophobicContact CZ3-CE3 3.56Å; W133-W147 AromaticContact CZ3-CZ3 3.37Å; W133-W147 HydrophobicContact CZ3-CZ3 3.37Å; T143-W147 HydrophobicContact CG2-CD2 3.79Å; T143-W147 HydrophobicContact CG2-CE3 4.28Å; T143-W147 HydrophobicContact CG2-CG 4.14Å; T143-W147 HydrophobicContact CG2-CH2 4.48Å; T143-W147 HydrophobicContact CG2-CZ2 3.98Å; T143-W147 PolarHBondContact O-N 3.41Å; Q144-W147 PolarHBondContact O-N 3.49Å; Q144-W147 VanDerWaalsContact O-N 3.15Å; W147-A150 CarbonylContact O-C 3.49Å; W147-A150 PolarHBondContact O-N 2.97Å; W147-R151 PolarHBondContact O-N 3.49Å; W147-G152 PolarHBondContact O-N 3.44Å
148E98.3Very high97.9Very high95 Ų9570.7 Ų70.744%0.44436%0.362SS..Hα-helixtrans-61.8-47.8171.9-73.1169.9175.800111.3Q144 A150 R151Q144-E148 HydrophobicContact CG-CG 4.33Å; Q144-E148 VanDerWaalsContact CG-OE1 3.23Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.41Å; Q144-E148 PolarHBondContact NE2-OE1 3.21Å; Q144-E148 WeakPolarHBondContact O-CB 3.34Å; Q144-E148 WeakPolarHBondContact O-CG 3.48Å; Q144-E148 PolarHBondContact O-N 3.21Å; E148-A150 VanDerWaalsContact C-N 3.25Å; E148-A150 PolarHBondContact O-N 3.31Å; E148-R151 PolarHBondContact O-N 3.18Å
149A98.1Very high97.9Very high88 Ų8868.2 Ų68.273%0.72734%0.341SS*.Hα-helixtrans-61.9-33.2176.500000112.9R145 K146 R151R145-A149 WeakPolarHBondContact O-CB 3.43Å; R145-A149 PolarHBondContact O-N 3.46Å; K146-A149 PolarHBondContact O-N 2.86Å; A149-R151 VanDerWaalsContact C-N 3.32Å
150A97.5Very high97.9Very high61 Ų6167.9 Ų67.950%0.50434%0.338SS..THydrogen-bonded Turntrans-85.70.5176.900000113.9K146 W147 E148 G152K146-A150 WeakPolarHBondContact O-CB 3.27Å; K146-A150 PolarHBondContact O-N 2.78Å; W147-A150 CarbonylContact O-C 3.49Å; W147-A150 PolarHBondContact O-N 2.97Å; E148-A150 VanDerWaalsContact C-N 3.25Å; E148-A150 PolarHBondContact O-N 3.31Å; A150-G152 PolarHBondContact O-N 3.27Å
151R97Very high97.9Very high153 Ų15373.2 Ų73.258%0.57736%0.363SS*.THydrogen-bonded Turntrans53.836.2-173.5-53.6176.372.9-178.12112.7W147 E148 A149 A153 E154W147-R151 PolarHBondContact O-N 3.49Å; E148-R151 PolarHBondContact O-N 3.18Å; A149-R151 VanDerWaalsContact C-N 3.32Å; R151-A153 VanDerWaalsContact C-N 3.26Å; R151-A153 PolarHBondContact O-N 2.88Å; R151-E154 HydrophobicContact CB-CG 4.38Å; R151-E154 VanDerWaalsContact CZ-CD 3.49Å; R151-E154 IonicContact CZ-OE1 3.13Å; R151-E154 IonicContact CZ-OE2 3.07Å; R151-E154 IonicContact NE-OE1 2.75Å; R151-E154 PolarHBondContact NE-OE1 3.27Å; R151-E154 IonicContact NE-OE2 3.13Å; R151-E154 PolarHBondContact NE-OE2 3.19Å; R151-E154 VanDerWaalsContact NE-OE2 3.13Å; R151-E154 IonicContact NH2-OE1 2.74Å; R151-E154 PolarHBondContact NH2-OE1 3.33Å; R151-E154 IonicContact NH2-OE2 2.76Å; R151-E154 PolarHBondContact NH2-OE2 3.34Å; R151-E154 WeakPolarHBondContact O-CB 3.25Å; R151-E154 PolarHBondContact O-N 2.97Å
152G97.3Very high97.9Very high12 Ų1270.7 Ų70.712%0.12436%0.357CS..Hα-helixtrans-58.7-34.3-175.200000113.7W147 A150 E154 Q155 L156W147-G152 PolarHBondContact O-N 3.44Å; A150-G152 PolarHBondContact O-N 3.27Å; G152-E154 VanDerWaalsContact C-N 3.25Å; G152-E154 PolarHBondContact O-N 3.29Å; G152-Q155 PolarHBondContact O-N 3.38Å; G152-L156 PolarHBondContact O-N 3.02Å; G152-L156 VanDerWaalsContact O-N 3.14Å
153A98.1Very high97.9Very high7 Ų771.4 Ų71.46%0.05836%0.358CS..Hα-helixtrans-60.9-34176.300000112.5L126 W133 R151 L156 R157L126-A153 HydrophobicContact CD1-CB 3.93Å; W133-A153 HydrophobicContact CZ2-CB 4.15Å; R151-A153 VanDerWaalsContact C-N 3.26Å; R151-A153 PolarHBondContact O-N 2.88Å; A153-L156 PolarHBondContact O-N 3.07Å; A153-R157 VanDerWaalsContact O-CB 3.27Å; A153-R157 WeakPolarHBondContact O-CB 3.31Å; A153-R157 PolarHBondContact O-N 3.46Å
154E97.9Very high97.9Very high77 Ų7770.6 Ų70.636%0.3635%0.353SS..Hα-helixtrans-70.6-37-180-62-179.6-160.900112.4R151 G152 R157 A158R151-E154 HydrophobicContact CB-CG 4.38Å; R151-E154 VanDerWaalsContact CZ-CD 3.49Å; R151-E154 IonicContact CZ-OE1 3.13Å; R151-E154 IonicContact CZ-OE2 3.07Å; R151-E154 IonicContact NE-OE1 2.75Å; R151-E154 PolarHBondContact NE-OE1 3.27Å; R151-E154 IonicContact NE-OE2 3.13Å; R151-E154 PolarHBondContact NE-OE2 3.19Å; R151-E154 VanDerWaalsContact NE-OE2 3.13Å; R151-E154 IonicContact NH2-OE1 2.74Å; R151-E154 PolarHBondContact NH2-OE1 3.33Å; R151-E154 IonicContact NH2-OE2 2.76Å; R151-E154 PolarHBondContact NH2-OE2 3.34Å; R151-E154 WeakPolarHBondContact O-CB 3.25Å; R151-E154 PolarHBondContact O-N 2.97Å; G152-E154 VanDerWaalsContact C-N 3.25Å; G152-E154 PolarHBondContact O-N 3.29Å; E154-R157 PolarHBondContact O-N 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 2.64Å
155Q95.7Very high97.8Very high142 Ų14269.1 Ų69.166%0.66435%0.347SS*.Hα-helixtrans-65.8-44.6175.8-63.2178.3300110.6G152 A158 Y159G152-Q155 PolarHBondContact O-N 3.38Å; Q155-A158 PolarHBondContact O-N 3.43Å; Q155-Y159 PolarHBondContact O-N 3.41Å
156L97.6Very high97.8Very high41 Ų4167.5 Ų67.522%0.21535%0.347CS..Hα-helixtrans-66-41.8176.5-70.3171.2000111.8H114 L126 W133 G152 A153 A158 Y159 L160H114-L156 HydrophobicContact CB-CD1 4.29Å; L126-L156 HydrophobicContact CD2-CB 4.33Å; W133-L156 HydrophobicContact CH2-CD1 3.3Å; W133-L156 HydrophobicContact CZ2-CD1 3.8Å; W133-L156 HydrophobicContact CZ3-CD1 4.42Å; G152-L156 PolarHBondContact O-N 3.02Å; G152-L156 VanDerWaalsContact O-N 3.14Å; A153-L156 PolarHBondContact O-N 3.07Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 2.89Å; L156-Y159 PolarHBondContact O-N 2.74Å; L156-L160 WeakPolarHBondContact O-CB 3.44Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.3Å
157R98.2Very high97.8Very high85 Ų8564.1 Ų64.132%0.32133%0.331SS..Hα-helixtrans-58.4-44174.6-176.3176.865-161.6-3.1111.4L130 A153 E154 Y159 L160 E161L130-R157 HydrophobicContact CB-CB 4.16Å; L130-R157 HydrophobicContact CB-CG 3.96Å; L130-R157 HydrophobicContact CD1-CG 4.17Å; A153-R157 VanDerWaalsContact O-CB 3.27Å; A153-R157 WeakPolarHBondContact O-CB 3.31Å; A153-R157 PolarHBondContact O-N 3.46Å; E154-R157 PolarHBondContact O-N 3.27Å; R157-Y159 VanDerWaalsContact C-N 3.32Å; R157-Y159 PolarHBondContact O-N 2.92Å; R157-L160 PolarHBondContact O-N 3.03Å; R157-E161 VanDerWaalsContact CG-CD 3.41Å; R157-E161 HydrophobicContact CG-CG 4.01Å; R157-E161 WeakPolarHBondContact CG-OE1 3.47Å; R157-E161 WeakPolarHBondContact O-CB 3.47Å; R157-E161 WeakPolarHBondContact O-CG 3.46Å; R157-E161 PolarHBondContact O-N 3.33Å
158A98.3Very high97.8Very high64 Ų6460.7 Ų60.753%0.52932%0.317SS..Hα-helixtrans-59.7-41.4177.400000112.4E154 Q155 L156 G162E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 2.64Å; Q155-A158 PolarHBondContact O-N 3.43Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 2.89Å; A158-G162 PolarHBondContact O-N 2.97Å; A158-G162 VanDerWaalsContact O-N 3.08Å
159Y97.7Very high97.6Very high57 Ų5761.9 Ų61.922%0.22432%0.318CS..Hα-helixtrans-64.7-47.3173168.6-96.2000112.2Y99 Q155 L156 R157 G162 E163 C164Y99-Y159 AromaticContact CD2-CE1 3.86Å; Y99-Y159 HydrophobicContact CD2-CE1 3.86Å; Y99-Y159 HydrophobicContact CE2-CE1 4.03Å; Q155-Y159 PolarHBondContact O-N 3.41Å; L156-Y159 PolarHBondContact O-N 2.74Å; R157-Y159 VanDerWaalsContact C-N 3.32Å; R157-Y159 PolarHBondContact O-N 2.92Å; Y159-G162 CarbonylContact O-C 3.59Å; Y159-G162 PolarHBondContact O-N 3.45Å; Y159-E163 HydrophobicContact CD2-CB 3.85Å; Y159-E163 HydrophobicContact CE2-CB 4.02Å; Y159-E163 PolarHBondContact O-N 2.82Å; Y159-E163 VanDerWaalsContact O-N 3.16Å; Y159-C164 HydrophobicContact CD1-CB 4.32Å; Y159-C164 HydrophobicContact CE1-CB 3.83Å; Y159-C164 WeakPolarHBondContact O-CB 2.81Å; Y159-C164 PolarHBondContact O-N 3.26Å
160L98.4Very high97.5Very high2 Ų263.7 Ų63.71%0.0131%0.306CS..Hα-helixtrans-67.9-37.7-174.8-69.9169.1000112.6G100 L126 L130 L156 R157 V165G100-L160 WeakPolarHBondContact O-CD2 3.47Å; L126-L160 HydrophobicContact CD2-CD1 3.8Å; L130-L160 HydrophobicContact CD2-CD1 4.03Å; L156-L160 WeakPolarHBondContact O-CB 3.44Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.3Å; R157-L160 PolarHBondContact O-N 3.03Å; L160-V165 WeakPolarHBondContact O-CG2 3.38Å
161E98.1Very high97.4Very high112 Ų11260.9 Ų60.952%0.52328%0.282SS..Hα-helixtrans-81.7-24.3177.4-69.2177.6167.900113.1L109 R157L109-E161 HydrophobicContact CD2-CB 4.42Å; L109-E161 HydrophobicContact CD2-CG 3.62Å; R157-E161 VanDerWaalsContact CG-CD 3.41Å; R157-E161 HydrophobicContact CG-CG 4.01Å; R157-E161 WeakPolarHBondContact CG-OE1 3.47Å; R157-E161 WeakPolarHBondContact O-CB 3.47Å; R157-E161 WeakPolarHBondContact O-CG 3.46Å; R157-E161 PolarHBondContact O-N 3.33Å
162G98Very high97.3Very high21 Ų2155.3 Ų55.322%0.21626%0.264CS..THydrogen-bonded Turntrans-105.4-98.7-178.600000112.5A158 Y159 C164 V165 E166A158-G162 PolarHBondContact O-N 2.97Å; A158-G162 VanDerWaalsContact O-N 3.08Å; Y159-G162 CarbonylContact O-C 3.59Å; Y159-G162 PolarHBondContact O-N 3.45Å; G162-C164 VanDerWaalsContact C-N 3.27Å; G162-C164 PolarHBondContact O-N 2.87Å; G162-C164 VanDerWaalsContact O-N 3.14Å; G162-V165 PolarHBondContact O-N 3.1Å; G162-E166 WeakPolarHBondContact O-CG 3.42Å; G162-E166 PolarHBondContact O-N 2.96Å
163E97.6Very high97.1Very high79 Ų7960.5 Ų60.537%0.36929%0.285SS..Hα-helixtrans-52.3-40.9-169.8-70.7-170.6-125.100113.3R62 Y159 V165 E166 W167R62-E163 IonicContact CZ-OE2 3.78Å; R62-E163 IonicContact NH2-OE2 3.88Å; R62-E163 PolarHBondContact NH2-OE2 3.23Å; Y159-E163 HydrophobicContact CD2-CB 3.85Å; Y159-E163 HydrophobicContact CE2-CB 4.02Å; Y159-E163 PolarHBondContact O-N 2.82Å; Y159-E163 VanDerWaalsContact O-N 3.16Å; E163-V165 PolarHBondContact O-N 3.39Å; E163-E166 PolarHBondContact O-N 2.87Å; E163-W167 WeakPolarHBondContact O-CB 3.24Å; E163-W167 PolarHBondContact O-N 3.07Å
164C98.3Very high96.9Very high0 Ų062.1 Ų62.10%029%0.292CS..Hα-helixtrans-59.6-47.3178.9-170.80000111.9M5 C101 Y159 G162 L168M5-C164 HydrophobicContact CE-CB 4.24Å; M5-C164 WeakPolarHBondContact CE-O 3.42Å; M5-C164 WeakPolarHBondContact CE-SG 3.43Å; C101-C164 HydrophobicContact CB-CB 4.01Å; C101-C164 WeakPolarHBondContact CB-SG 3.41Å; C101-C164 PolarHBondContact N-SG 2.86Å; C101-C164 WeakPolarHBondContact SG-CB 3.19Å; C101-C164 PolarHBondContact SG-O 2.68Å; C101-C164 CovalentContact SG-SG 2.04Å; C101-C164 PolarHBondContact SG-SG 3.25Å; Y159-C164 HydrophobicContact CD1-CB 4.32Å; Y159-C164 HydrophobicContact CE1-CB 3.83Å; Y159-C164 WeakPolarHBondContact O-CB 2.81Å; Y159-C164 PolarHBondContact O-N 3.26Å; G162-C164 VanDerWaalsContact C-N 3.27Å; G162-C164 PolarHBondContact O-N 2.87Å; G162-C164 VanDerWaalsContact O-N 3.14Å; C164-L168 WeakPolarHBondContact O-CB 3.47Å; C164-L168 PolarHBondContact O-N 2.76Å
165V98.3Very high96.5Very high7 Ų758.4 Ų58.44%0.04228%0.275CS..Hα-helixtrans-68.3-41.51801740000110.9V103 G107 L109 L160 G162 E163 L168 R169V103-V165 HydrophobicContact CG1-CB 4.3Å; V103-V165 HydrophobicContact CG1-CG1 3.92Å; V103-V165 HydrophobicContact CG1-CG2 4.01Å; G107-V165 WeakPolarHBondContact O-CG1 3.49Å; L109-V165 HydrophobicContact CB-CG2 3.91Å; L109-V165 HydrophobicContact CD1-CG2 3.95Å; L109-V165 HydrophobicContact CG-CG2 4.5Å; L160-V165 WeakPolarHBondContact O-CG2 3.38Å; G162-V165 PolarHBondContact O-N 3.1Å; E163-V165 PolarHBondContact O-N 3.39Å; V165-L168 PolarHBondContact O-N 3.11Å; V165-R169 VanDerWaalsContact O-CG 3.29Å; V165-R169 WeakPolarHBondContact O-CG 3.43Å; V165-R169 PolarHBondContact O-N 2.92Å
166E98.1Very high96Very high126 Ų12656 Ų5659%0.58926%0.263SS*.Hα-helixtrans-62.5-47.5179-70.3-180173.200111.7G162 E163 R169 R170G162-E166 WeakPolarHBondContact O-CG 3.42Å; G162-E166 PolarHBondContact O-N 2.96Å; E163-E166 PolarHBondContact O-N 2.87Å; E166-R169 PolarHBondContact O-N 3.3Å; E166-R170 PolarHBondContact O-N 3.02Å; E166-R170 VanDerWaalsContact O-N 3.09Å
167W97.6Very high95.2Very high45 Ų4561.2 Ų61.217%0.1729%0.286CS..Hα-helixtrans-65.6-42.4177.1-82.1112.7000112.3M5 Y59 E163 R169 R170 Y171M5-W167 HydrophobicContact CE-CB 4.4Å; Y59-W167 AromaticContact CD2-CH2 3.35Å; Y59-W167 HydrophobicContact CD2-CH2 3.35Å; Y59-W167 HydrophobicContact CD2-CZ2 4.01Å; Y59-W167 AromaticContact CD2-CZ3 3.67Å; Y59-W167 HydrophobicContact CD2-CZ3 3.67Å; Y59-W167 HydrophobicContact CE2-CE3 4.13Å; Y59-W167 AromaticContact CE2-CH2 3.69Å; Y59-W167 HydrophobicContact CE2-CH2 3.69Å; Y59-W167 HydrophobicContact CE2-CZ2 4.23Å; Y59-W167 AromaticContact CE2-CZ3 3.61Å; Y59-W167 HydrophobicContact CE2-CZ3 3.61Å; Y59-W167 HydrophobicContact CG-CH2 4.47Å; E163-W167 WeakPolarHBondContact O-CB 3.24Å; E163-W167 PolarHBondContact O-N 3.07Å; W167-R169 VanDerWaalsContact C-N 3.32Å; W167-R169 PolarHBondContact O-N 3.08Å; W167-R170 WeakPolarHBondContact O-CB 3.23Å; W167-R170 PolarHBondContact O-N 2.96Å; W167-R170 VanDerWaalsContact O-N 3.11Å; W167-Y171 HydrophobicContact CB-CD2 4.48Å; W167-Y171 HydrophobicContact CB-CE2 3.87Å; W167-Y171 HydrophobicContact CD2-CE1 4.48Å; W167-Y171 HydrophobicContact CE3-CD1 4.35Å; W167-Y171 AromaticContact CE3-CE1 3.47Å; W167-Y171 HydrophobicContact CE3-CE1 3.47Å; W167-Y171 VanDerWaalsContact CE3-CE1 3.47Å; W167-Y171 HydrophobicContact CE3-CE2 4.41Å; W167-Y171 AromaticContact CE3-CZ 3.5Å; W167-Y171 VanDerWaalsContact CE3-CZ 3.5Å; W167-Y171 AromaticContact CZ3-CE1 3.93Å; W167-Y171 HydrophobicContact CZ3-CE1 3.93Å; W167-Y171 VanDerWaalsContact O-CD2 3.25Å; W167-Y171 WeakPolarHBondContact O-CD2 3.45Å; W167-Y171 VanDerWaalsContact O-CG 3.22Å; W167-Y171 PolarHBondContact O-N 3.2Å
168L97.4Very high94.2Very high0 Ų061 Ų610%029%0.294CS..Hα-helixtrans-60-43.4177-179.946.9000111.7T3 M5 V28 V103 C164 V165 R170 Y171 L172T3-L168 HydrophobicContact CG2-CD1 4.01Å; T3-L168 WeakPolarHBondContact O-CD2 3.34Å; M5-L168 HydrophobicContact CB-CB 4.26Å; M5-L168 HydrophobicContact CB-CD1 3.86Å; M5-L168 HydrophobicContact CB-CD2 3.79Å; M5-L168 HydrophobicContact CB-CG 4.18Å; M5-L168 HydrophobicContact CE-CB 4.19Å; M5-L168 HydrophobicContact SD-CB 4.21Å; V28-L168 HydrophobicContact CG1-CD1 3.76Å; V28-L168 HydrophobicContact CG2-CD1 4.13Å; V103-L168 HydrophobicContact CB-CD2 4.23Å; V103-L168 HydrophobicContact CG1-CD2 3.85Å; V103-L168 HydrophobicContact CG2-CD2 3.54Å; V103-L168 HydrophobicContact CG2-CG 3.95Å; C164-L168 WeakPolarHBondContact O-CB 3.47Å; C164-L168 PolarHBondContact O-N 2.76Å; V165-L168 PolarHBondContact O-N 3.11Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 PolarHBondContact O-N 3.23Å; L168-Y171 PolarHBondContact O-N 3.11Å; L168-L172 HydrophobicContact CD1-CD1 4.08Å; L168-L172 HydrophobicContact CD1-CG 4.05Å; L168-L172 HydrophobicContact CG-CD1 4.15Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 VanDerWaalsContact O-CG 3.26Å; L168-L172 WeakPolarHBondContact O-CG 3.34Å; L168-L172 PolarHBondContact O-N 3.05Å
169R95.7Very high93.1Very high121 Ų12158.6 Ų58.646%0.45727%0.272SS..Hα-helixtrans-60.4-41.5174.6-71.7171.7-178.5-1802112.1G107 V165 E166 W167 L172 E173G107-R169 VanDerWaalsContact C-NH2 3.31Å; G107-R169 PolarHBondContact O-NE 3.4Å; G107-R169 PolarHBondContact O-NH2 2.85Å; V165-R169 VanDerWaalsContact O-CG 3.29Å; V165-R169 WeakPolarHBondContact O-CG 3.43Å; V165-R169 PolarHBondContact O-N 2.92Å; E166-R169 PolarHBondContact O-N 3.3Å; W167-R169 VanDerWaalsContact C-N 3.32Å; W167-R169 PolarHBondContact O-N 3.08Å; R169-L172 PolarHBondContact O-N 3.17Å; R169-E173 PolarHBondContact O-N 2.86Å; R169-E173 VanDerWaalsContact O-N 3.1Å
170R95.8Very high91.6Very high126 Ų12662.4 Ų62.448%0.47529%0.292SS..Hα-helixtrans-63.9-46.1176.9-179.2173.6174.7118.1-2.5111.8E55 E166 W167 L168 L172 E173 N174E55-R170 IonicContact OE1-CZ 2.76Å; E55-R170 IonicContact OE1-NE 3.89Å; E55-R170 PolarHBondContact OE1-NE 3.27Å; E55-R170 IonicContact OE1-NH2 3.27Å; E55-R170 PolarHBondContact OE1-NH2 2.81Å; E55-R170 IonicContact OE2-CZ 3.85Å; E55-R170 IonicContact OE2-NE 2.82Å; E55-R170 PolarHBondContact OE2-NE 3.28Å; E55-R170 IonicContact OE2-NH2 2.68Å; E55-R170 PolarHBondContact OE2-NH2 3.41Å; E166-R170 PolarHBondContact O-N 3.02Å; E166-R170 VanDerWaalsContact O-N 3.09Å; W167-R170 WeakPolarHBondContact O-CB 3.23Å; W167-R170 PolarHBondContact O-N 2.96Å; W167-R170 VanDerWaalsContact O-N 3.11Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 PolarHBondContact O-N 3.23Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 3.35Å; R170-E173 PolarHBondContact O-N 3.15Å; R170-N174 VanDerWaalsContact O-CG 3.28Å; R170-N174 PolarHBondContact O-N 3.29Å; R170-N174 PolarHBondContact O-OD1 3.31Å
171Y95.5Very high89.7Confident1 Ų171.9 Ų71.90%0.00433%0.328CS..Hα-helixtrans-63.8-37.5177.8-60.4-30.9000112.4M5 V28 F33 W51 I52 Y59 W167 L168 E173 N174 G175M5-Y171 HydrophobicContact SD-CD2 3.65Å; M5-Y171 HydrophobicContact SD-CE2 3.54Å; M5-Y171 VanDerWaalsContact SD-CE2 3.54Å; V28-Y171 HydrophobicContact CG2-CD2 4.01Å; V28-Y171 HydrophobicContact CG2-CG 4.49Å; F33-Y171 HydrophobicContact CE2-CD2 4.02Å; F33-Y171 HydrophobicContact CE2-CE1 4.26Å; F33-Y171 AromaticContact CE2-CE2 3.67Å; F33-Y171 HydrophobicContact CE2-CE2 3.67Å; F33-Y171 HydrophobicContact CE2-CG 4.47Å; F33-Y171 AromaticContact CE2-CZ 3.81Å; F33-Y171 HydrophobicContact CZ-CD2 4.01Å; F33-Y171 AromaticContact CZ-CE2 3.64Å; F33-Y171 HydrophobicContact CZ-CE2 3.64Å; W51-Y171 HydrophobicContact CH2-CG 4.3Å; W51-Y171 AromaticContact CZ3-CD1 3.96Å; W51-Y171 HydrophobicContact CZ3-CD1 3.96Å; W51-Y171 AromaticContact CZ3-CG 3.92Å; W51-Y171 HydrophobicContact CZ3-CG 3.92Å; I52-Y171 HydrophobicContact CD1-CD1 3.57Å; I52-Y171 HydrophobicContact CD1-CE1 3.37Å; Y59-Y171 HydrophobicContact CE2-CE1 4.32Å; Y59-Y171 VanDerWaalsContact CE2-OH 3.27Å; Y59-Y171 WeakPolarHBondContact CE2-OH 3.49Å; Y59-Y171 PolarHBondContact OH-OH 3.46Å; W167-Y171 HydrophobicContact CB-CD2 4.48Å; W167-Y171 HydrophobicContact CB-CE2 3.87Å; W167-Y171 HydrophobicContact CD2-CE1 4.48Å; W167-Y171 HydrophobicContact CE3-CD1 4.35Å; W167-Y171 AromaticContact CE3-CE1 3.47Å; W167-Y171 HydrophobicContact CE3-CE1 3.47Å; W167-Y171 VanDerWaalsContact CE3-CE1 3.47Å; W167-Y171 HydrophobicContact CE3-CE2 4.41Å; W167-Y171 AromaticContact CE3-CZ 3.5Å; W167-Y171 VanDerWaalsContact CE3-CZ 3.5Å; W167-Y171 AromaticContact CZ3-CE1 3.93Å; W167-Y171 HydrophobicContact CZ3-CE1 3.93Å; W167-Y171 VanDerWaalsContact O-CD2 3.25Å; W167-Y171 WeakPolarHBondContact O-CD2 3.45Å; W167-Y171 VanDerWaalsContact O-CG 3.22Å; W167-Y171 PolarHBondContact O-N 3.2Å; L168-Y171 PolarHBondContact O-N 3.11Å; Y171-E173 VanDerWaalsContact C-N 3.34Å; Y171-E173 PolarHBondContact O-N 2.99Å; Y171-N174 PolarHBondContact O-N 3.25Å; Y171-G175 PolarHBondContact O-N 3.1Å
172L93.9Very high87.3Confident37 Ų3773.4 Ų73.419%0.19436%0.36CS..Hα-helixtrans-64.5-37.4174.3-72.1166.8000112.7T3 V28 V103 L168 R169 R170 K176 L179T3-L172 HydrophobicContact CG2-CD1 3.96Å; T3-L172 HydrophobicContact CG2-CD2 3.58Å; T3-L172 HydrophobicContact CG2-CG 4.19Å; V28-L172 HydrophobicContact CG1-CD2 4.15Å; V103-L172 HydrophobicContact CG2-CD1 4.4Å; L168-L172 HydrophobicContact CD1-CD1 4.08Å; L168-L172 HydrophobicContact CD1-CG 4.05Å; L168-L172 HydrophobicContact CG-CD1 4.15Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 VanDerWaalsContact O-CG 3.26Å; L168-L172 WeakPolarHBondContact O-CG 3.34Å; L168-L172 PolarHBondContact O-N 3.05Å; R169-L172 PolarHBondContact O-N 3.17Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 3.35Å; L172-K176 VanDerWaalsContact O-CA 3.31Å; L172-K176 WeakPolarHBondContact O-CA 3.35Å; L172-K176 PolarHBondContact O-N 3.42Å; L172-L179 HydrophobicContact CD2-CD1 4.18Å
173E93.4Very high86.8Confident120 Ų12076.1 Ų76.156%0.56137%0.367SS*.Hα-helixtrans-70.7-45.3175.2-169.660.1-151.200111.1R169 R170 Y171 G175 K176R169-E173 PolarHBondContact O-N 2.86Å; R169-E173 VanDerWaalsContact O-N 3.1Å; R170-E173 PolarHBondContact O-N 3.15Å; Y171-E173 VanDerWaalsContact C-N 3.34Å; Y171-E173 PolarHBondContact O-N 2.99Å; E173-G175 VanDerWaalsContact C-N 3.27Å; E173-G175 PolarHBondContact O-N 2.96Å; E173-K176 WeakPolarHBondContact O-CB 3.48Å; E173-K176 PolarHBondContact O-N 3.04Å; E173-K176 IonicContact OE1-NZ 3.69Å; E173-K176 IonicContact OE2-NZ 3.91Å
174N92.6Very high86.2Confident41 Ų4175.9 Ų75.922%0.21937%0.367CS..Hα-helixtrans-59.2-40.1176.6-68.5-4.8000111.9W51 Q54 E55 R170 Y171W51-N174 WeakPolarHBondContact CB-O 3.31Å; W51-N174 HydrophobicContact CE3-CB 4.27Å; Q54-N174 PolarHBondContact NE2-O 2.78Å; Q54-N174 VanDerWaalsContact NE2-O 3.1Å; E55-N174 PolarHBondContact OE1-ND2 3.32Å; R170-N174 VanDerWaalsContact O-CG 3.28Å; R170-N174 PolarHBondContact O-N 3.29Å; R170-N174 PolarHBondContact O-OD1 3.31Å; Y171-N174 PolarHBondContact O-N 3.25Å
175G90.2Very high85.6Confident0 Ų080.1 Ų80.10%039%0.387CS..THydrogen-bonded Turntrans-95.38.7-176.100000114.7Y171 E173 E177 T178 L179Y171-G175 PolarHBondContact O-N 3.1Å; E173-G175 VanDerWaalsContact C-N 3.27Å; E173-G175 PolarHBondContact O-N 2.96Å; G175-E177 VanDerWaalsContact C-N 3.27Å; G175-E177 PolarHBondContact O-N 3.31Å; G175-E177 VanDerWaalsContact O-N 3.09Å; G175-T178 CarbonylContact O-C 3.6Å; G175-T178 PolarHBondContact O-N 3.05Å; G175-T178 PolarHBondContact O-OG1 2.76Å; G175-L179 WeakPolarHBondContact O-CB 3.36Å; G175-L179 PolarHBondContact O-N 3.13Å
176K86.4Confident84.8Confident92 Ų9284.4 Ų84.440%0.441%0.407SS..Hα-helixtrans-49.7-41.8-169.3-172.9176.1-173.1167.10114.3L172 E173 Q180L172-K176 VanDerWaalsContact O-CA 3.31Å; L172-K176 WeakPolarHBondContact O-CA 3.35Å; L172-K176 PolarHBondContact O-N 3.42Å; E173-K176 WeakPolarHBondContact O-CB 3.48Å; E173-K176 PolarHBondContact O-N 3.04Å; E173-K176 IonicContact OE1-NZ 3.69Å; E173-K176 IonicContact OE2-NZ 3.91Å; K176-Q180 HydrophobicContact CG-CG 4.48Å; K176-Q180 VanDerWaalsContact O-CB 3.29Å; K176-Q180 WeakPolarHBondContact O-CB 3.4Å; K176-Q180 WeakPolarHBondContact O-CG 3.44Å; K176-Q180 PolarHBondContact O-N 2.74Å
177E80.4Confident84Confident149 Ų14981.8 Ų81.870%0.69640%0.396SS*.Hα-helixtrans-73.9-25.3-179.2-61.9-167.7163.200113.9G175 R181G175-E177 VanDerWaalsContact C-N 3.27Å; G175-E177 PolarHBondContact O-N 3.31Å; G175-E177 VanDerWaalsContact O-N 3.09Å; E177-R181 WeakPolarHBondContact O-CD 3.34Å; E177-R181 WeakPolarHBondContact O-CG 3.33Å; E177-R181 PolarHBondContact O-NE 3.02Å
178T77.6Confident83.1Confident81 Ų8184.3 Ų84.350%0.49741%0.411SS..Hα-helixtrans-99-40.3-17730.60000113.3G175G175-T178 CarbonylContact O-C 3.6Å; G175-T178 PolarHBondContact O-N 3.05Å; G175-T178 PolarHBondContact O-OG1 2.76Å
179L74.9Confident82.1Confident13 Ų1390.3 Ų90.37%0.06844%0.44CS..Hα-helixtrans-80.3-33.2-175.6-65.5173.8000112.2V28 T31 W51 L172 G175 R181V28-L179 HydrophobicContact CG1-CD1 3.98Å; T31-L179 HydrophobicContact CG2-CD2 4.42Å; W51-L179 HydrophobicContact CZ2-CD1 4.21Å; W51-L179 HydrophobicContact CZ2-CD2 4.4Å; L172-L179 HydrophobicContact CD2-CD1 4.18Å; G175-L179 WeakPolarHBondContact O-CB 3.36Å; G175-L179 PolarHBondContact O-N 3.13Å; L179-R181 VanDerWaalsContact C-N 3.27Å; L179-R181 PolarHBondContact O-N 2.75Å
180Q64.9Low81Confident138 Ų13887.9 Ų87.965%0.64544%0.439SS*.THydrogen-bonded Turntrans-82-1.9-179.9-59.8-175.2-14.800114.1K176K176-Q180 HydrophobicContact CG-CG 4.48Å; K176-Q180 VanDerWaalsContact O-CB 3.29Å; K176-Q180 WeakPolarHBondContact O-CB 3.4Å; K176-Q180 WeakPolarHBondContact O-CG 3.44Å; K176-Q180 PolarHBondContact O-N 2.74Å
181R58.4Low79.8Confident201 Ų20184.8 Ų84.876%0.75844%0.436SS*.THydrogen-bonded Turntrans-100.2-7.8177-68.1-174.2-174.8169.46.8113.4E177 L179E177-R181 WeakPolarHBondContact O-CD 3.34Å; E177-R181 WeakPolarHBondContact O-CG 3.33Å; E177-R181 PolarHBondContact O-NE 3.02Å; L179-R181 VanDerWaalsContact C-N 3.27Å; L179-R181 PolarHBondContact O-N 2.75Å
182A49.4Very low78.4Confident144 Ų14492.4 Ų92.4100%1.1948%0.475SS*.  trans-83.50178.900000111.5

Retrieved 182 of 182 residues in 338.6 ms (Link to these results)

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