A0A068W643_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A068W643, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 91 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
1P92.8Very high96.7Very high105 Ų10570.8 Ų70.868%0.68238%0.379SS*.  0150.4017.9-33.1000109G82 L83P1-G82 WeakPolarHBondContact CB-O 3.31Å; P1-L83 HydrophobicContact CB-CD2 4.18Å
2P97Very high96.6Very high12 Ų1269.4 Ų69.48%0.07838%0.379CS..  trans-63.5140.817427.1-33.4000111.3T4 A22 F25 I30 M78 H80 L83P2-T4 HydrophobicContact CB-CG2 3.97Å; P2-T4 HydrophobicContact CG-CG2 4.13Å; P2-A22 HydrophobicContact CB-CB 4.15Å; P2-F25 HydrophobicContact CB-CB 3.88Å; P2-F25 HydrophobicContact CB-CD1 4.17Å; P2-F25 HydrophobicContact CB-CG 4.33Å; P2-I30 HydrophobicContact CB-CD1 4.25Å; P2-I30 HydrophobicContact CG-CD1 4.37Å; P2-M78 HydrophobicContact CB-SD 3.92Å; P2-M78 HydrophobicContact CG-SD 3.6Å; P2-H80 HydrophobicContact CG-CB 4.08Å; P2-L83 HydrophobicContact CG-CD1 4.01Å; P2-L83 HydrophobicContact CG-CD2 4.15Å; P2-L83 HydrophobicContact CG-CG 4.11Å
3K97.7Very high96.4Very high162 Ų16275.7 Ų75.770%0.70441%0.412SS*.EExtended strand (participates in β ladder)trans-84125.6160.1-66.2178-177.8175.50107.7L23K3-L23 HydrophobicContact CB-CB 4.44Å; K3-L23 PolarHBondContact N-O 2.91Å; K3-L23 PolarHBondContact O-N 2.95Å
4T97.7Very high96.3Very high41 Ų4180.6 Ų80.625%0.25243%0.43SS..EExtended strand (participates in β ladder)trans-124.3147.6-17063.50000112P2 W21 M78 L87 L89P2-T4 HydrophobicContact CB-CG2 3.97Å; P2-T4 HydrophobicContact CG-CG2 4.13Å; T4-W21 VanDerWaalsContact CA-O 3.26Å; T4-W21 WeakPolarHBondContact CA-O 3.31Å; T4-M78 HydrophobicContact CG2-CE 3.47Å; T4-M78 VanDerWaalsContact CG2-CE 3.47Å; T4-M78 HydrophobicContact CG2-SD 3.26Å; T4-M78 WeakPolarHBondContact CG2-SD 3.46Å; T4-L87 HydrophobicContact CG2-CD1 4.25Å; T4-L89 HydrophobicContact CG2-CD1 4.35Å
5H97.8Very high96.4Very high82 Ų8281.5 Ų81.538%0.3843%0.431SS..EExtended strand (participates in β ladder)trans-164.1161.1170.560.7-75.9000109.7W21H5-W21 AromaticContact CD2-CD1 3.84Å; H5-W21 VanDerWaalsContact CE1-CB 3.44Å; H5-W21 WeakPolarHBondContact CE1-CB 3.41Å; H5-W21 AromaticContact CE1-CD1 3.92Å; H5-W21 AromaticContact CE1-CG 3.66Å; H5-W21 PolarHBondContact N-O 3.32Å; H5-W21 AromaticContact NE2-CD1 3.41Å; H5-W21 AromaticContact NE2-CG 3.62Å; H5-W21 PolarHBondContact O-N 2.6Å
6V98.3Very high96.4Very high23 Ų2376.4 Ų76.414%0.13940%0.404CS..EExtended strand (participates in β ladder)trans-110.1133172.2-179.20000108.6L18 R19 W34 L89 W91V6-L18 HydrophobicContact CG1-CB 4.39Å; V6-L18 HydrophobicContact CG1-CD2 4.46Å; V6-R19 CarbonylContact C-O 3.58Å; V6-R19 VanDerWaalsContact CA-O 3.31Å; V6-R19 WeakPolarHBondContact CA-O 3.35Å; V6-W34 HydrophobicContact CG1-CH2 3.91Å; V6-W34 HydrophobicContact CG1-CZ2 4.34Å; V6-W34 HydrophobicContact CG2-CH2 4.34Å; V6-L89 HydrophobicContact CG2-CB 3.86Å; V6-W91 HydrophobicContact CG1-CB 3.96Å
7T98.1Very high96.5Very high33 Ų3373.1 Ų73.120%0.20239%0.387CS..EExtended strand (participates in β ladder)trans-108.9143.3171.558.90000110.4H9 L18 R19 W21T7-H9 PolarHBondContact OG1-NE2 2.87Å; T7-L18 WeakPolarHBondContact O-CA 3.31Å; T7-R19 PolarHBondContact N-O 3.3Å; T7-R19 PolarHBondContact O-N 3.05Å; T7-W21 PolarHBondContact OG1-NE1 2.84Å
8H97.6Very high96.6Very high50 Ų5069 Ų6923%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-112.3128.8176.7170-98.1000110A16 L18 E71 W91H8-A16 WeakPolarHBondContact NE2-CB 3.23Å; H8-L18 HydrophobicContact CB-CD2 3.96Å; H8-E71 IonicContact NE2-OE1 3.9Å; H8-W91 HydrophobicContact CB-CD2 3.88Å; H8-W91 HydrophobicContact CB-CG 3.97Å; H8-W91 HydrophobicContact CB-CZ2 3.87Å; H8-W91 AromaticContact CG-CE2 3.68Å; H8-W91 AromaticContact CG-CZ2 3.75Å; H8-W91 AromaticContact CG-NE1 4Å; H8-W91 AromaticContact ND1-CZ2 3.77Å
9H96.8Very high96.7Very high71 Ų7168.4 Ų68.433%0.32936%0.358SS..EExtended strand (participates in β ladder)trans-128.4102.8-178.6-56.3-67.7000109.4T7 L11 A16 T17 R19T7-H9 PolarHBondContact OG1-NE2 2.87Å; H9-L11 PolarHBondContact O-N 2.84Å; H9-A16 CarbonylContact O-C 3.55Å; H9-A16 WeakPolarHBondContact O-CA 3.48Å; H9-T17 PolarHBondContact N-O 2.88Å; H9-T17 PolarHBondContact O-N 2.9Å; H9-R19 PolarHBondContact NE2-NH1 2.89Å
10P96.1Very high96.8Very high98 Ų9865 Ų6564%0.63634%0.34SS*.EExtended strand (participates in β ladder)trans-57.4132.1174.1-21.531.5000111
11L94.4Very high96.9Very high102 Ų10264.4 Ų64.453%0.53433%0.333SS..  trans-102.6-40.3173.8-62.5179.2000111.1H9 E15 T17 V65H9-L11 PolarHBondContact O-N 2.84Å; L11-E15 HydrophobicContact CB-CB 4.46Å; L11-E15 WeakPolarHBondContact CB-O 3.5Å; L11-E15 PolarHBondContact N-O 3.36Å; L11-T17 WeakPolarHBondContact CD1-OG1 3.46Å; L11-V65 HydrophobicContact CD1-CG1 4.05Å; L11-V65 HydrophobicContact CD1-CG2 4.13Å
12S95.4Very high97.1Very high54 Ų5459.4 Ų59.438%0.37830%0.301SS..SBendtrans-154.2-177.3177.5700000110.3H14 E15S12-H14 PolarHBondContact O-N 3.3Å; S12-H14 VanDerWaalsContact O-N 3.14Å; S12-H14 PolarHBondContact OG-N 2.86Å; S12-H14 VanDerWaalsContact OG-N 3.15Å; S12-E15 PolarHBondContact N-O 2.94Å; S12-E15 PolarHBondContact OG-N 2.98Å
13D93.7Very high97.2Very high151 Ų15161.4 Ų61.481%0.80731%0.31SS*.SBendtrans-64.5-11171.6-65.4-20.6000113.4
14H95.6Very high97.2Very high145 Ų14555.4 Ų55.467%0.67130%0.295SS*.SBendtrans-114.8-16.8-175.3-58.2-46.5000113.5S12 P67 S68S12-H14 PolarHBondContact O-N 3.3Å; S12-H14 VanDerWaalsContact O-N 3.14Å; S12-H14 PolarHBondContact OG-N 2.86Å; S12-H14 VanDerWaalsContact OG-N 3.15Å; H14-P67 CarbonylContact O-C 3.57Å; H14-P67 WeakPolarHBondContact O-CA 3.48Å; H14-S68 VanDerWaalsContact C-OG 3.28Å; H14-S68 PolarHBondContact O-N 2.94Å
15E96.9Very high97.2Very high93 Ų9353.5 Ų53.544%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-145.6147.4-169.4-66.8-177.416000112.4L11 S12 V65 V66 S68L11-E15 HydrophobicContact CB-CB 4.46Å; L11-E15 WeakPolarHBondContact CB-O 3.5Å; L11-E15 PolarHBondContact N-O 3.36Å; S12-E15 PolarHBondContact N-O 2.94Å; S12-E15 PolarHBondContact OG-N 2.98Å; E15-V65 HydrophobicContact CB-CG1 4.12Å; E15-V65 HydrophobicContact CG-CG1 4.34Å; E15-V66 WeakPolarHBondContact CA-O 3.32Å; E15-S68 PolarHBondContact N-OG 2.96Å
16A97.3Very high97.2Very high0 Ų057.2 Ų57.20%030%0.295CS..EExtended strand (participates in β ladder)trans-138.9158172.100000110.7H8 H9 V65 V66H8-A16 WeakPolarHBondContact NE2-CB 3.23Å; H9-A16 CarbonylContact O-C 3.55Å; H9-A16 WeakPolarHBondContact O-CA 3.48Å; A16-V65 CarbonylContact O-C 3.53Å; A16-V65 WeakPolarHBondContact O-CA 3.44Å; A16-V66 HydrophobicContact CB-CG2 4.41Å; A16-V66 PolarHBondContact N-O 3.21Å; A16-V66 PolarHBondContact O-N 2.91Å
17T97.8Very high97.2Very high20 Ų2058.4 Ų58.412%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-97.7124.9168.3-56.30000109.8H9 L11 A63 V64H9-T17 PolarHBondContact N-O 2.88Å; H9-T17 PolarHBondContact O-N 2.9Å; L11-T17 WeakPolarHBondContact CD1-OG1 3.46Å; T17-A63 HydrophobicContact CG2-CB 3.86Å; T17-V64 WeakPolarHBondContact CA-O 3.48Å
18L98.3Very high97.2Very high0 Ų058.5 Ų58.50%031%0.307CS..EExtended strand (participates in β ladder)trans-95128.6163.3-62.6-176.7000109V6 T7 H8 W34 A63 V64 V66 E71 W91V6-L18 HydrophobicContact CG1-CB 4.39Å; V6-L18 HydrophobicContact CG1-CD2 4.46Å; T7-L18 WeakPolarHBondContact O-CA 3.31Å; H8-L18 HydrophobicContact CB-CD2 3.96Å; L18-W34 HydrophobicContact CB-CH2 3.7Å; L18-W34 HydrophobicContact CB-CZ2 3.79Å; L18-W34 HydrophobicContact CB-CZ3 4.47Å; L18-W34 HydrophobicContact CD1-CH2 4.09Å; L18-W34 HydrophobicContact CD1-CZ3 4.24Å; L18-A63 CarbonylContact O-C 3.54Å; L18-A63 WeakPolarHBondContact O-CA 3.21Å; L18-V64 HydrophobicContact CB-CG2 4.19Å; L18-V64 PolarHBondContact N-O 2.8Å; L18-V64 PolarHBondContact O-N 3.13Å; L18-V66 HydrophobicContact CD1-CG1 4.04Å; L18-V66 HydrophobicContact CD1-CG2 4.14Å; L18-V66 HydrophobicContact CG-CG1 4.18Å; L18-V66 HydrophobicContact CG-CG2 3.91Å; L18-E71 HydrophobicContact CD1-CB 4.15Å; L18-E71 HydrophobicContact CD2-CG 4.38Å; L18-W91 HydrophobicContact CD1-CB 4.5Å; L18-W91 HydrophobicContact CD2-CB 3.84Å; L18-W91 HydrophobicContact CD2-CD2 4.46Å; L18-W91 HydrophobicContact CD2-CG 3.97Å
19R98.3Very high97.2Very high57 Ų5763.3 Ų63.322%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-123.5120177.2-176.1-178-65.9130.2-1.1110.5V6 T7 H9 W21 W61 A62 A63V6-R19 CarbonylContact C-O 3.58Å; V6-R19 VanDerWaalsContact CA-O 3.31Å; V6-R19 WeakPolarHBondContact CA-O 3.35Å; T7-R19 PolarHBondContact N-O 3.3Å; T7-R19 PolarHBondContact O-N 3.05Å; H9-R19 PolarHBondContact NE2-NH1 2.89Å; R19-W21 HydrophobicContact CG-CZ2 4.35Å; R19-W61 HydrophobicContact CG-CB 3.98Å; R19-W61 HydrophobicContact CG-CD2 4.13Å; R19-W61 HydrophobicContact CG-CE3 3.92Å; R19-W61 HydrophobicContact CG-CG 4.21Å; R19-A62 WeakPolarHBondContact CA-O 3.32Å; R19-A63 HydrophobicContact CB-CB 4.08Å; R19-A63 HydrophobicContact CG-CB 4.14Å
20C98.3Very high97.3Very high0 Ų060.5 Ų60.50%032%0.317CS..EExtended strand (participates in β ladder)trans-92.9121.5176.4-177.10000109.9W34 W61 A62 C76C20-W34 HydrophobicContact CB-CH2 4.5Å; C20-W34 HydrophobicContact CB-CZ2 3.66Å; C20-W61 CarbonylContact O-C 3.54Å; C20-W61 WeakPolarHBondContact O-CA 3.33Å; C20-W61 WeakPolarHBondContact O-CB 3.37Å; C20-A62 PolarHBondContact N-O 3.06Å; C20-A62 PolarHBondContact O-N 3.28Å; C20-C76 HydrophobicContact CB-CB 3.46Å; C20-C76 VanDerWaalsContact CB-CB 3.46Å; C20-C76 WeakPolarHBondContact CB-SG 3.45Å; C20-C76 WeakPolarHBondContact SG-CB 3.4Å; C20-C76 CovalentContact SG-SG 2.03Å; C20-C76 PolarHBondContact SG-SG 3.2Å
21W98.4Very high97.3Very high54 Ų5458.9 Ų58.921%0.20531%0.305CS..EExtended strand (participates in β ladder)trans-104.5139.8-177.2-6989.4000111.8T4 H5 T7 R19 L23 W61T4-W21 VanDerWaalsContact CA-O 3.26Å; T4-W21 WeakPolarHBondContact CA-O 3.31Å; H5-W21 AromaticContact CD2-CD1 3.84Å; H5-W21 VanDerWaalsContact CE1-CB 3.44Å; H5-W21 WeakPolarHBondContact CE1-CB 3.41Å; H5-W21 AromaticContact CE1-CD1 3.92Å; H5-W21 AromaticContact CE1-CG 3.66Å; H5-W21 PolarHBondContact N-O 3.32Å; H5-W21 AromaticContact NE2-CD1 3.41Å; H5-W21 AromaticContact NE2-CG 3.62Å; H5-W21 PolarHBondContact O-N 2.6Å; T7-W21 PolarHBondContact OG1-NE1 2.84Å; R19-W21 HydrophobicContact CG-CZ2 4.35Å; W21-L23 HydrophobicContact CE3-CD2 3.98Å; W21-W61 HydrophobicContact CD2-CB 4.05Å; W21-W61 HydrophobicContact CE3-CB 3.94Å; W21-W61 AromaticContact CE3-CD1 3.86Å; W21-W61 HydrophobicContact CE3-CG 4.21Å; W21-W61 HydrophobicContact CG-CB 4.47Å; W21-W61 AromaticContact CH2-CD1 3.75Å; W21-W61 HydrophobicContact CH2-CG 4.39Å; W21-W61 HydrophobicContact CZ3-CB 4.37Å; W21-W61 AromaticContact CZ3-CD1 3.42Å; W21-W61 VanDerWaalsContact CZ3-CD1 3.42Å; W21-W61 HydrophobicContact CZ3-CG 4.14Å
22A98.4Very high97.4Very high0 Ų054.4 Ų54.40%028%0.282CS..EExtended strand (participates in β ladder)trans-123.2121.3163.500000108.6P2 F25 I30 L32 Q59 K60 M78P2-A22 HydrophobicContact CB-CB 4.15Å; A22-F25 HydrophobicContact CB-CD1 3.9Å; A22-F25 HydrophobicContact CB-CE1 3.67Å; A22-F25 WeakPolarHBondContact O-CE1 3.26Å; A22-I30 HydrophobicContact CB-CD1 3.58Å; A22-L32 HydrophobicContact CB-CD1 4.26Å; A22-L32 HydrophobicContact CB-CD2 4.39Å; A22-Q59 VanDerWaalsContact O-CA 3.32Å; A22-Q59 WeakPolarHBondContact O-CA 3.43Å; A22-K60 PolarHBondContact N-O 2.85Å; A22-K60 PolarHBondContact O-N 2.87Å; A22-M78 HydrophobicContact CB-CE 3.56Å; A22-M78 HydrophobicContact CB-SD 3.91Å
23L98.2Very high97.5Very high53 Ų5353.5 Ų53.528%0.27727%0.274SS..EExtended strand (participates in β ladder)trans-127.5149.9-176.9-58.1177.2000111.3K3 W21 F25 Q59K3-L23 HydrophobicContact CB-CB 4.44Å; K3-L23 PolarHBondContact N-O 2.91Å; K3-L23 PolarHBondContact O-N 2.95Å; W21-L23 HydrophobicContact CE3-CD2 3.98Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.21Å; L23-Q59 HydrophobicContact CD2-CB 3.78Å
24G98Very high97.7Very high37 Ų3746.3 Ų46.338%0.38124%0.236SC..EExtended strand (participates in β ladder)trans67.329.3168.200000114.5T57 F58G24-T57 WeakPolarHBondContact CA-OG1 3.26Å; G24-F58 PolarHBondContact N-O 2.75Å
25F98.3Very high97.8Very high0 Ų041.1 Ų41.10%021%0.212CC..EExtended strand (participates in β ladder)trans-101.9154.8-176.961.6-91.8000113P2 A22 L23 P27 I30 T50 F58 K60 H80P2-F25 HydrophobicContact CB-CB 3.88Å; P2-F25 HydrophobicContact CB-CD1 4.17Å; P2-F25 HydrophobicContact CB-CG 4.33Å; A22-F25 HydrophobicContact CB-CD1 3.9Å; A22-F25 HydrophobicContact CB-CE1 3.67Å; A22-F25 WeakPolarHBondContact O-CE1 3.26Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.21Å; F25-P27 WeakPolarHBondContact CD2-O 3.37Å; F25-I30 HydrophobicContact CD1-CD1 3.95Å; F25-I30 HydrophobicContact CD2-CB 4.32Å; F25-I30 HydrophobicContact CD2-CD1 4.05Å; F25-I30 HydrophobicContact CE1-CD1 3.91Å; F25-I30 HydrophobicContact CE1-CG2 4.47Å; F25-I30 HydrophobicContact CE2-CB 3.84Å; F25-I30 HydrophobicContact CE2-CD1 4.02Å; F25-I30 HydrophobicContact CE2-CG2 3.61Å; F25-I30 HydrophobicContact CG-CD1 4.03Å; F25-I30 HydrophobicContact CZ-CB 4.23Å; F25-I30 HydrophobicContact CZ-CD1 3.97Å; F25-I30 HydrophobicContact CZ-CG2 3.6Å; F25-T50 HydrophobicContact CE2-CG2 4.01Å; F25-T50 HydrophobicContact CZ-CG2 3.89Å; F25-F58 VanDerWaalsContact CD1-O 3.23Å; F25-F58 WeakPolarHBondContact CD1-O 3.34Å; F25-F58 HydrophobicContact CD2-CB 3.9Å; F25-F58 HydrophobicContact CE1-CB 4.26Å; F25-F58 VanDerWaalsContact CE1-O 3.31Å; F25-F58 WeakPolarHBondContact CE1-O 3.34Å; F25-F58 HydrophobicContact CE2-CB 3.47Å; F25-F58 VanDerWaalsContact CE2-CB 3.47Å; F25-F58 HydrophobicContact CE2-CG 4.43Å; F25-F58 HydrophobicContact CG-CB 4.45Å; F25-F58 HydrophobicContact CZ-CB 3.66Å; F25-F58 PolarHBondContact N-O 3.24Å; F25-F58 WeakPolarHBondContact O-CD2 3.47Å; F25-F58 PolarHBondContact O-N 2.73Å; F25-K60 HydrophobicContact CE1-CB 4.25Å; F25-K60 HydrophobicContact CZ-CB 3.97Å; F25-H80 AromaticContact CD2-CD2 3.89Å; F25-H80 AromaticContact CD2-NE2 3.68Å
26Y97.8Very high97.8Very high161 Ų16140.9 Ų40.963%0.63121%0.207SC*.SBendtrans-153.1136.7173.7-179.8-86000109F58 H80Y26-F58 HydrophobicContact CD2-CD2 4.33Å; Y26-F58 AromaticContact CD2-CE2 3.83Å; Y26-F58 HydrophobicContact CD2-CE2 3.83Å; Y26-F58 HydrophobicContact CE2-CE2 4.25Å; Y26-H80 PolarHBondContact O-CE1 3.19Å
27P97.6Very high97.8Very high47 Ų4745.5 Ų45.531%0.30523%0.232SC..SBendcis-73.5177.41.933.1-37.5000112.8F25 E29 H80F25-P27 WeakPolarHBondContact CD2-O 3.37Å; P27-E29 PolarHBondContact O-N 2.85Å; P27-H80 PolarHBondContact O-NE2 3.15Å
28A97.7Very high97.6Very high36 Ų3646.8 Ų46.830%0.29825%0.249SC..SBendtrans-63.5-25.1-177.300000114.6I30 T50 F58A28-I30 PolarHBondContact O-N 2.87Å; A28-T50 HydrophobicContact CB-CG2 4.26Å; A28-F58 HydrophobicContact CB-CD1 3.8Å; A28-F58 HydrophobicContact CB-CD2 3.83Å; A28-F58 HydrophobicContact CB-CE1 3.66Å; A28-F58 HydrophobicContact CB-CE2 3.7Å; A28-F58 HydrophobicContact CB-CG 3.89Å; A28-F58 HydrophobicContact CB-CZ 3.62Å
29E97.9Very high97.5Very high151 Ų15153 Ų5371%0.70628%0.278SS*.  trans-64115.8179.6-165.566.4-141.700110.2P27 H80P27-E29 PolarHBondContact O-N 2.85Å; E29-H80 PolarHBondContact O-CD2 3.19Å
30I97.9Very high97.3Very high12 Ų1254.9 Ų54.96%0.06229%0.292CS..EExtended strand (participates in β ladder)trans-153.7142.9179.7-161.6171.2000109.6P2 A22 F25 A28 L32 K60 M78 Q79 H80P2-I30 HydrophobicContact CB-CD1 4.25Å; P2-I30 HydrophobicContact CG-CD1 4.37Å; A22-I30 HydrophobicContact CB-CD1 3.58Å; F25-I30 HydrophobicContact CD1-CD1 3.95Å; F25-I30 HydrophobicContact CD2-CB 4.32Å; F25-I30 HydrophobicContact CD2-CD1 4.05Å; F25-I30 HydrophobicContact CE1-CD1 3.91Å; F25-I30 HydrophobicContact CE1-CG2 4.47Å; F25-I30 HydrophobicContact CE2-CB 3.84Å; F25-I30 HydrophobicContact CE2-CD1 4.02Å; F25-I30 HydrophobicContact CE2-CG2 3.61Å; F25-I30 HydrophobicContact CG-CD1 4.03Å; F25-I30 HydrophobicContact CZ-CB 4.23Å; F25-I30 HydrophobicContact CZ-CD1 3.97Å; F25-I30 HydrophobicContact CZ-CG2 3.6Å; A28-I30 PolarHBondContact O-N 2.87Å; I30-L32 HydrophobicContact CB-CD1 4.45Å; I30-L32 HydrophobicContact CD1-CD1 3.83Å; I30-L32 HydrophobicContact CG1-CD1 3.75Å; I30-L32 HydrophobicContact CG2-CD1 3.99Å; I30-K60 HydrophobicContact CG2-CB 4.23Å; I30-K60 HydrophobicContact CG2-CD 3.54Å; I30-M78 HydrophobicContact CD1-CG 4.26Å; I30-M78 HydrophobicContact CD1-SD 3.98Å; I30-M78 HydrophobicContact CG1-CG 4.41Å; I30-Q79 VanDerWaalsContact CG1-O 3.3Å; I30-Q79 WeakPolarHBondContact CG1-O 3.32Å; I30-H80 HydrophobicContact CD1-CB 4.26Å; I30-H80 HydrophobicContact CG1-CB 4.03Å
31T97.2Very high97.1Very high63 Ų6355.5 Ų55.539%0.38730%0.295SS..EExtended strand (participates in β ladder)trans-115.2127.8175.1-54.50000109.5M78 Q79T31-M78 WeakPolarHBondContact O-CA 3.48Å; T31-Q79 PolarHBondContact N-O 2.8Å; T31-Q79 PolarHBondContact O-N 2.86Å
32L97.3Very high96.4Very high9 Ų958 Ų585%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-123.7124.5171.6-79.967.8000107.9A22 I30 L47 K60 A62 H77 M78A22-L32 HydrophobicContact CB-CD1 4.26Å; A22-L32 HydrophobicContact CB-CD2 4.39Å; I30-L32 HydrophobicContact CB-CD1 4.45Å; I30-L32 HydrophobicContact CD1-CD1 3.83Å; I30-L32 HydrophobicContact CG1-CD1 3.75Å; I30-L32 HydrophobicContact CG2-CD1 3.99Å; L32-L47 HydrophobicContact CB-CD1 4.31Å; L32-K60 HydrophobicContact CD1-CD 4.11Å; L32-A62 HydrophobicContact CB-CB 3.97Å; L32-A62 HydrophobicContact CD2-CB 4.19Å; L32-H77 WeakPolarHBondContact CA-O 3.1Å; L32-M78 HydrophobicContact CD1-CE 4.17Å; L32-M78 HydrophobicContact CD1-CG 4.32Å; L32-M78 HydrophobicContact CD2-CE 4.17Å; L32-M78 HydrophobicContact CG-CE 3.96Å
33T97.1Very high95.7Very high34 Ų3467 Ų6721%0.20936%0.359CS..EExtended strand (participates in β ladder)trans-132.2134.4178.5-53.40000109.4D40 C76 H77T33-D40 HydrophobicContact CG2-CB 4.22Å; T33-C76 CarbonylContact O-C 3.57Å; T33-C76 WeakPolarHBondContact O-CA 3.27Å; T33-H77 PolarHBondContact N-O 3.08Å; T33-H77 PolarHBondContact O-N 3.01Å
34W97.9Very high94.9Very high0 Ų069.9 Ų69.90%037%0.374CS..EExtended strand (participates in β ladder)trans-90.1135.1166.5-82.3104.6000110V6 L18 C20 Q41 A62 V64 T75 C76V6-W34 HydrophobicContact CG1-CH2 3.91Å; V6-W34 HydrophobicContact CG1-CZ2 4.34Å; V6-W34 HydrophobicContact CG2-CH2 4.34Å; L18-W34 HydrophobicContact CB-CH2 3.7Å; L18-W34 HydrophobicContact CB-CZ2 3.79Å; L18-W34 HydrophobicContact CB-CZ3 4.47Å; L18-W34 HydrophobicContact CD1-CH2 4.09Å; L18-W34 HydrophobicContact CD1-CZ3 4.24Å; C20-W34 HydrophobicContact CB-CH2 4.5Å; C20-W34 HydrophobicContact CB-CZ2 3.66Å; W34-Q41 HydrophobicContact CB-CB 4.32Å; W34-Q41 PolarHBondContact O-N 3.39Å; W34-A62 PolarHBondContact NE1-O 3.24Å; W34-V64 HydrophobicContact CB-CG1 3.64Å; W34-V64 HydrophobicContact CB-CG2 4.39Å; W34-V64 HydrophobicContact CD2-CG1 4.34Å; W34-V64 HydrophobicContact CD2-CG2 3.63Å; W34-V64 HydrophobicContact CE3-CG2 4.04Å; W34-V64 HydrophobicContact CG-CB 4.34Å; W34-V64 HydrophobicContact CG-CG1 3.59Å; W34-V64 HydrophobicContact CG-CG2 3.79Å; W34-V64 HydrophobicContact CZ2-CG2 4.34Å; W34-T75 WeakPolarHBondContact CA-O 3.45Å; W34-C76 HydrophobicContact CD2-CB 4.17Å; W34-C76 HydrophobicContact CE3-CB 4.12Å; W34-C76 HydrophobicContact CH2-CB 4.01Å; W34-C76 HydrophobicContact CZ2-CB 4.07Å; W34-C76 HydrophobicContact CZ3-CB 4.04Å
35Q97.8Very high94.6Very high37 Ų3769.3 Ų69.317%0.17336%0.363CS..EExtended strand (participates in β ladder)trans-117.5143.7171.4-68.2-170.5-14.100109.9E39 D40 Y74 T75 H77Q35-E39 CarbonylContact C-O 3.53Å; Q35-E39 VanDerWaalsContact CA-O 3.25Å; Q35-E39 WeakPolarHBondContact CA-O 3.35Å; Q35-D40 VanDerWaalsContact CG-OD1 3.29Å; Q35-D40 WeakPolarHBondContact CG-OD1 3.48Å; Q35-D40 PolarHBondContact NE2-OD1 2.86Å; Q35-Y74 CarbonylContact O-C 3.55Å; Q35-Y74 VanDerWaalsContact O-CA 3.26Å; Q35-Y74 WeakPolarHBondContact O-CA 3.34Å; Q35-T75 PolarHBondContact N-O 2.99Å; Q35-T75 PolarHBondContact O-N 2.9Å; Q35-H77 PolarHBondContact OE1-CE1 3.18Å; Q35-H77 PolarHBondContact OE1-NE2 2.83Å; Q35-H77 VanDerWaalsContact OE1-NE2 3.08Å
36R97.4Very high94.5Very high88 Ų8874.7 Ų74.733%0.33239%0.388SS..EExtended strand (participates in β ladder)trans-115.7116.7167.7-177.5-178.968.7-166.9-6108.1G38 E39 Q41 R73 Y74R36-G38 PolarHBondContact O-N 2.97Å; R36-G38 VanDerWaalsContact O-N 3.09Å; R36-E39 PolarHBondContact N-O 3.44Å; R36-E39 PolarHBondContact O-N 3.07Å; R36-Q41 HydrophobicContact CB-CG 3.88Å; R36-R73 WeakPolarHBondContact CA-O 3.45Å; R36-R73 HydrophobicContact CG-CB 4.39Å; R36-Y74 HydrophobicContact CB-CD1 4.11Å; R36-Y74 HydrophobicContact CB-CE1 3.94Å; R36-Y74 WeakPolarHBondContact CD-OH 3.3Å; R36-Y74 HydrophobicContact CG-CD1 4.49Å; R36-Y74 HydrophobicContact CG-CE1 4.14Å; R36-Y74 HydrophobicContact CG-CE2 4.13Å
37D95.8Very high94.3Very high96 Ų9671.3 Ų71.351%0.51338%0.381SS..THydrogen-bonded Turntrans50.332.9-174.9-49.7-57.2000113.4R73D37-R73 PolarHBondContact N-O 3.2Å; D37-R73 IonicContact OD1-CZ 3.12Å; D37-R73 IonicContact OD1-NE 2.94Å; D37-R73 PolarHBondContact OD1-NE 2.99Å; D37-R73 VanDerWaalsContact OD1-NE 3.14Å; D37-R73 IonicContact OD1-NH2 2.62Å; D37-R73 IonicContact OD2-CZ 4Å; D37-R73 IonicContact OD2-NE 3.97Å; D37-R73 PolarHBondContact OD2-NE 3.18Å; D37-R73 IonicContact OD2-NH2 3.14Å; D37-R73 PolarHBondContact OD2-NH2 3.04Å
38G93.6Very high94.1Very high47 Ų4769.8 Ų69.849%0.48537%0.371SS..THydrogen-bonded Turntrans88.8-3.1-177.900000115.8R36R36-G38 PolarHBondContact O-N 2.97Å; R36-G38 VanDerWaalsContact O-N 3.09Å
39E96Very high93.9Very high132 Ų13275.7 Ų75.762%0.61739%0.392SS*.EExtended strand (participates in β ladder)trans-96.6128.1176.8-64.8-175.7168.300112.1Q35 R36 Q41Q35-E39 CarbonylContact C-O 3.53Å; Q35-E39 VanDerWaalsContact CA-O 3.25Å; Q35-E39 WeakPolarHBondContact CA-O 3.35Å; R36-E39 PolarHBondContact N-O 3.44Å; R36-E39 PolarHBondContact O-N 3.07Å; E39-Q41 PolarHBondContact O-N 2.91Å; E39-Q41 PolarHBondContact O-NE2 2.88Å
40D95.1Very high93.9Very high95 Ų9570.7 Ų70.751%0.50837%0.372SS..EExtended strand (participates in β ladder)trans-61.8131.1-179.7-71.3-7.6000112.7T33 Q35T33-D40 HydrophobicContact CG2-CB 4.22Å; Q35-D40 VanDerWaalsContact CG-OD1 3.29Å; Q35-D40 WeakPolarHBondContact CG-OD1 3.48Å; Q35-D40 PolarHBondContact NE2-OD1 2.86Å
41Q93.9Very high93.9Very high14 Ų1476.6 Ų76.67%0.06539%0.394CS..  trans-102.240.3-177.2-57.3-58.8-72.100112.7W34 R36 E39 Q43 D44 T45 V64 Y74W34-Q41 HydrophobicContact CB-CB 4.32Å; W34-Q41 PolarHBondContact O-N 3.39Å; R36-Q41 HydrophobicContact CB-CG 3.88Å; E39-Q41 PolarHBondContact O-N 2.91Å; E39-Q41 PolarHBondContact O-NE2 2.88Å; Q41-Q43 VanDerWaalsContact C-N 3.29Å; Q41-Q43 PolarHBondContact O-N 2.79Å; Q41-D44 PolarHBondContact O-N 2.83Å; Q41-T45 WeakPolarHBondContact O-CB 3.11Å; Q41-T45 PolarHBondContact O-N 2.92Å; Q41-T45 VanDerWaalsContact O-N 3.15Å; Q41-T45 PolarHBondContact O-OG1 3.05Å; Q41-V64 HydrophobicContact CB-CG1 4.46Å; Q41-Y74 HydrophobicContact CG-CE1 4.38Å
42T84.3Confident93.9Very high105 Ų10578.2 Ų78.264%0.64441%0.405SS*.THydrogen-bonded Turntrans-58.9-33.2-169.9-51.10000114.4
43Q82.2Confident93.9Very high191 Ų19180 Ų8089%0.89342%0.421SS*.THydrogen-bonded Turntrans-77.6-30.9-179.1-66.2-175.240.700113.1Q41Q41-Q43 VanDerWaalsContact C-N 3.29Å; Q41-Q43 PolarHBondContact O-N 2.79Å
44D83.1Confident93.9Very high113 Ų11382.1 Ų82.160%0.60445%0.45SS*.THydrogen-bonded Turntrans-95.11.2-177-56.1-50000112.3Q41Q41-D44 PolarHBondContact O-N 2.83Å
45T91.8Very high93.9Very high25 Ų2587.7 Ų87.715%0.15348%0.48CS..EExtended strand (participates in β ladder)trans-95.5120.1-178.1-61.70000111.2Q41 L47 A62 A63 V64Q41-T45 WeakPolarHBondContact O-CB 3.11Å; Q41-T45 PolarHBondContact O-N 2.92Å; Q41-T45 VanDerWaalsContact O-N 3.15Å; Q41-T45 PolarHBondContact O-OG1 3.05Å; T45-L47 HydrophobicContact CG2-CB 4.41Å; T45-L47 PolarHBondContact O-N 2.03Å; T45-A62 HydrophobicContact CG2-CB 3.91Å; T45-A63 CarbonylContact C-O 3.57Å; T45-A63 VanDerWaalsContact CA-O 3.3Å; T45-A63 WeakPolarHBondContact CA-O 3.49Å; T45-V64 HydrophobicContact CG2-CG1 4.42Å; T45-V64 VanDerWaalsContact OG1-CG1 3.27Å; T45-V64 WeakPolarHBondContact OG1-CG1 3.32Å
46E94.3Very high93.8Very high112 Ų11288.8 Ų88.852%0.52350%0.5SS..EExtended strand (participates in β ladder)trans-75.5105.9162-172.8-173.8-176.600109W61 A62 A63E46-W61 HydrophobicContact CB-CZ3 4.19Å; E46-W61 HydrophobicContact CG-CH2 3.96Å; E46-W61 HydrophobicContact CG-CZ3 3.84Å; E46-W61 WeakPolarHBondContact OE1-CH2 3.02Å; E46-W61 WeakPolarHBondContact OE2-CH2 3.38Å; E46-A62 CarbonylContact O-C 3.55Å; E46-A62 WeakPolarHBondContact O-CA 3.39Å; E46-A63 HydrophobicContact CB-CB 4.42Å; E46-A63 PolarHBondContact N-O 3.14Å; E46-A63 PolarHBondContact O-N 3.15Å
47L93.8Very high93.8Very high91 Ų9185.9 Ų85.948%0.47649%0.493SS..EExtended strand (participates in β ladder)trans-108.2112.1178.2-172.166.6000110.5L32 T45 A62L32-L47 HydrophobicContact CB-CD1 4.31Å; T45-L47 HydrophobicContact CG2-CB 4.41Å; T45-L47 PolarHBondContact O-N 2.03Å; L47-A62 HydrophobicContact CD1-CB 3.64Å
48V93.9Very high94Very high15 Ų1583.7 Ų83.79%0.09148%0.478CS..PPolyproline II helixtrans-80.8142.7176.9169.30000110.9R51 K60 W61V48-R51 VanDerWaalsContact CG1-NE 3.31Å; V48-R51 VanDerWaalsContact CG1-NH2 3.28Å; V48-K60 WeakPolarHBondContact O-CE 3.36Å; V48-K60 WeakPolarHBondContact O-CG 3.19Å; V48-K60 PolarHBondContact O-NZ 2.83Å; V48-W61 HydrophobicContact CB-CD2 4.15Å; V48-W61 HydrophobicContact CB-CZ2 4.2Å; V48-W61 HydrophobicContact CG2-CD2 3.93Å; V48-W61 VanDerWaalsContact CG2-CE2 3.41Å; V48-W61 HydrophobicContact CG2-CE3 4.12Å; V48-W61 HydrophobicContact CG2-CH2 3.45Å; V48-W61 VanDerWaalsContact CG2-CH2 3.45Å; V48-W61 HydrophobicContact CG2-CZ2 3.2Å; V48-W61 HydrophobicContact CG2-CZ3 3.88Å; V48-W61 PolarHBondContact N-O 2.94Å
49E94.6Very high94.2Very high160 Ų16084.7 Ų84.775%0.74847%0.471SS*.PPolyproline II helixtrans-54.2151.5171.8-67.8-169.7158.700111.9R51E49-R51 WeakPolarHBondContact O-CG 3.3Å; E49-R51 PolarHBondContact O-N 2.99Å
50T97.4Very high94.3Very high46 Ų4679.5 Ų79.528%0.28245%0.446SS..PPolyproline II helixtrans-68122.8176.7-57.10000109.6F25 A28 F58F25-T50 HydrophobicContact CE2-CG2 4.01Å; F25-T50 HydrophobicContact CZ-CG2 3.89Å; A28-T50 HydrophobicContact CB-CG2 4.26Å; T50-F58 HydrophobicContact CG2-CB 3.77Å; T50-F58 HydrophobicContact CG2-CD1 3.85Å; T50-F58 HydrophobicContact CG2-CG 4.07Å
51R97.9Very high94.4Very high136 Ų13676.6 Ų76.651%0.51343%0.428SS..EExtended strand (participates in β ladder)trans-110.9144.4-176.2-64.3174.6-173.7178.60.9111.1V48 E49 F58 Q59V48-R51 VanDerWaalsContact CG1-NE 3.31Å; V48-R51 VanDerWaalsContact CG1-NH2 3.28Å; E49-R51 WeakPolarHBondContact O-CG 3.3Å; E49-R51 PolarHBondContact O-N 2.99Å; R51-F58 CarbonylContact O-C 3.58Å; R51-F58 VanDerWaalsContact O-CA 3.32Å; R51-F58 WeakPolarHBondContact O-CA 2.94Å; R51-Q59 HydrophobicContact CB-CG 4.06Å; R51-Q59 PolarHBondContact N-O 2.78Å; R51-Q59 WeakPolarHBondContact O-CG 3.4Å; R51-Q59 PolarHBondContact O-N 2.92Å
52P97.8Very high94.6Very high96 Ų9675.9 Ų75.962%0.62343%0.425SS*.EExtended strand (participates in β ladder)trans-67.6145.9170.128.6-33000110.8
53A96.9Very high95.3Very high48 Ų4871 Ų7140%0.39740%0.395SS..  trans-93.3-12175.400000113.4T57A53-T57 PolarHBondContact N-O 2.84Å
54G96.3Very high96Very high78 Ų7862 Ų6280%0.80435%0.353SS*.SBendtrans93.3-8.2178.600000115.2
55D97.3Very high96.7Very high117 Ų11760 Ų6063%0.62635%0.345SS*.SBendtrans-107.814.4177.865.4-5.7000113.1T57D55-T57 VanDerWaalsContact C-N 3.35Å; D55-T57 VanDerWaalsContact OD1-CB 3.31Å; D55-T57 WeakPolarHBondContact OD1-CB 3.39Å; D55-T57 PolarHBondContact OD1-N 3.26Å; D55-T57 PolarHBondContact OD1-OG1 3.22Å
56G96.3Very high96.9Very high59 Ų5958.9 Ų58.961%0.60834%0.338SS*.SBendtrans87.6-1.6-173.900000114.6
57T98.3Very high97Very high28 Ų2855.8 Ų55.817%0.17233%0.327CS..  trans-103.8175.2174.275.40000112.4G24 A53 D55G24-T57 WeakPolarHBondContact CA-OG1 3.26Å; A53-T57 PolarHBondContact N-O 2.84Å; D55-T57 VanDerWaalsContact C-N 3.35Å; D55-T57 VanDerWaalsContact OD1-CB 3.31Å; D55-T57 WeakPolarHBondContact OD1-CB 3.39Å; D55-T57 PolarHBondContact OD1-N 3.26Å; D55-T57 PolarHBondContact OD1-OG1 3.22Å
58F98.5Very high97.1Very high49 Ų4953.9 Ų53.922%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-121.3161.3-179-62.1-88.2000112G24 F25 Y26 A28 T50 R51G24-F58 PolarHBondContact N-O 2.75Å; F25-F58 VanDerWaalsContact CD1-O 3.23Å; F25-F58 WeakPolarHBondContact CD1-O 3.34Å; F25-F58 HydrophobicContact CD2-CB 3.9Å; F25-F58 HydrophobicContact CE1-CB 4.26Å; F25-F58 VanDerWaalsContact CE1-O 3.31Å; F25-F58 WeakPolarHBondContact CE1-O 3.34Å; F25-F58 HydrophobicContact CE2-CB 3.47Å; F25-F58 VanDerWaalsContact CE2-CB 3.47Å; F25-F58 HydrophobicContact CE2-CG 4.43Å; F25-F58 HydrophobicContact CG-CB 4.45Å; F25-F58 HydrophobicContact CZ-CB 3.66Å; F25-F58 PolarHBondContact N-O 3.24Å; F25-F58 WeakPolarHBondContact O-CD2 3.47Å; F25-F58 PolarHBondContact O-N 2.73Å; Y26-F58 HydrophobicContact CD2-CD2 4.33Å; Y26-F58 AromaticContact CD2-CE2 3.83Å; Y26-F58 HydrophobicContact CD2-CE2 3.83Å; Y26-F58 HydrophobicContact CE2-CE2 4.25Å; A28-F58 HydrophobicContact CB-CD1 3.8Å; A28-F58 HydrophobicContact CB-CD2 3.83Å; A28-F58 HydrophobicContact CB-CE1 3.66Å; A28-F58 HydrophobicContact CB-CE2 3.7Å; A28-F58 HydrophobicContact CB-CG 3.89Å; A28-F58 HydrophobicContact CB-CZ 3.62Å; T50-F58 HydrophobicContact CG2-CB 3.77Å; T50-F58 HydrophobicContact CG2-CD1 3.85Å; T50-F58 HydrophobicContact CG2-CG 4.07Å; R51-F58 CarbonylContact O-C 3.58Å; R51-F58 VanDerWaalsContact O-CA 3.32Å; R51-F58 WeakPolarHBondContact O-CA 2.94Å
59Q98.4Very high97.1Very high69 Ų6956.4 Ų56.432%0.32235%0.351SS..EExtended strand (participates in β ladder)trans-136.5146.3173.958-176.1-3100110.5A22 L23 R51A22-Q59 VanDerWaalsContact O-CA 3.32Å; A22-Q59 WeakPolarHBondContact O-CA 3.43Å; L23-Q59 HydrophobicContact CD2-CB 3.78Å; R51-Q59 HydrophobicContact CB-CG 4.06Å; R51-Q59 PolarHBondContact N-O 2.78Å; R51-Q59 WeakPolarHBondContact O-CG 3.4Å; R51-Q59 PolarHBondContact O-N 2.92Å
60K98.3Very high97.2Very high22 Ų2251.9 Ų51.910%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-153.8151.9176.3-164.6-177-18071.50109.1A22 F25 I30 L32 V48A22-K60 PolarHBondContact N-O 2.85Å; A22-K60 PolarHBondContact O-N 2.87Å; F25-K60 HydrophobicContact CE1-CB 4.25Å; F25-K60 HydrophobicContact CZ-CB 3.97Å; I30-K60 HydrophobicContact CG2-CB 4.23Å; I30-K60 HydrophobicContact CG2-CD 3.54Å; L32-K60 HydrophobicContact CD1-CD 4.11Å; V48-K60 WeakPolarHBondContact O-CE 3.36Å; V48-K60 WeakPolarHBondContact O-CG 3.19Å; V48-K60 PolarHBondContact O-NZ 2.83Å
61W98Very high97.2Very high34 Ų3450.7 Ų50.713%0.12932%0.321CS..EExtended strand (participates in β ladder)trans-143.7157.2169.657.9-101.1000111.4R19 C20 W21 E46 V48 A63R19-W61 HydrophobicContact CG-CB 3.98Å; R19-W61 HydrophobicContact CG-CD2 4.13Å; R19-W61 HydrophobicContact CG-CE3 3.92Å; R19-W61 HydrophobicContact CG-CG 4.21Å; C20-W61 CarbonylContact O-C 3.54Å; C20-W61 WeakPolarHBondContact O-CA 3.33Å; C20-W61 WeakPolarHBondContact O-CB 3.37Å; W21-W61 HydrophobicContact CD2-CB 4.05Å; W21-W61 HydrophobicContact CE3-CB 3.94Å; W21-W61 AromaticContact CE3-CD1 3.86Å; W21-W61 HydrophobicContact CE3-CG 4.21Å; W21-W61 HydrophobicContact CG-CB 4.47Å; W21-W61 AromaticContact CH2-CD1 3.75Å; W21-W61 HydrophobicContact CH2-CG 4.39Å; W21-W61 HydrophobicContact CZ3-CB 4.37Å; W21-W61 AromaticContact CZ3-CD1 3.42Å; W21-W61 VanDerWaalsContact CZ3-CD1 3.42Å; W21-W61 HydrophobicContact CZ3-CG 4.14Å; E46-W61 HydrophobicContact CB-CZ3 4.19Å; E46-W61 HydrophobicContact CG-CH2 3.96Å; E46-W61 HydrophobicContact CG-CZ3 3.84Å; E46-W61 WeakPolarHBondContact OE1-CH2 3.02Å; E46-W61 WeakPolarHBondContact OE2-CH2 3.38Å; V48-W61 HydrophobicContact CB-CD2 4.15Å; V48-W61 HydrophobicContact CB-CZ2 4.2Å; V48-W61 HydrophobicContact CG2-CD2 3.93Å; V48-W61 VanDerWaalsContact CG2-CE2 3.41Å; V48-W61 HydrophobicContact CG2-CE3 4.12Å; V48-W61 HydrophobicContact CG2-CH2 3.45Å; V48-W61 VanDerWaalsContact CG2-CH2 3.45Å; V48-W61 HydrophobicContact CG2-CZ2 3.2Å; V48-W61 HydrophobicContact CG2-CZ3 3.88Å; V48-W61 PolarHBondContact N-O 2.94Å; W61-A63 HydrophobicContact CE3-CB 3.97Å; W61-A63 HydrophobicContact CZ3-CB 3.66Å
62A97.9Very high97.1Very high0 Ų050.1 Ų50.10%032%0.324CS..EExtended strand (participates in β ladder)trans-127.9133.8173.100000108.5R19 C20 L32 W34 T45 E46 L47R19-A62 WeakPolarHBondContact CA-O 3.32Å; C20-A62 PolarHBondContact N-O 3.06Å; C20-A62 PolarHBondContact O-N 3.28Å; L32-A62 HydrophobicContact CB-CB 3.97Å; L32-A62 HydrophobicContact CD2-CB 4.19Å; W34-A62 PolarHBondContact NE1-O 3.24Å; T45-A62 HydrophobicContact CG2-CB 3.91Å; E46-A62 CarbonylContact O-C 3.55Å; E46-A62 WeakPolarHBondContact O-CA 3.39Å; L47-A62 HydrophobicContact CD1-CB 3.64Å
63A97.9Very high97.1Very high2 Ų251 Ų512%0.01732%0.315CS..EExtended strand (participates in β ladder)trans-126.7145.5179.800000112.2T17 L18 R19 T45 E46 W61T17-A63 HydrophobicContact CG2-CB 3.86Å; L18-A63 CarbonylContact O-C 3.54Å; L18-A63 WeakPolarHBondContact O-CA 3.21Å; R19-A63 HydrophobicContact CB-CB 4.08Å; R19-A63 HydrophobicContact CG-CB 4.14Å; T45-A63 CarbonylContact C-O 3.57Å; T45-A63 VanDerWaalsContact CA-O 3.3Å; T45-A63 WeakPolarHBondContact CA-O 3.49Å; E46-A63 HydrophobicContact CB-CB 4.42Å; E46-A63 PolarHBondContact N-O 3.14Å; E46-A63 PolarHBondContact O-N 3.15Å; W61-A63 HydrophobicContact CE3-CB 3.97Å; W61-A63 HydrophobicContact CZ3-CB 3.66Å
64V97.6Very high97.2Very high3 Ų349.2 Ų49.22%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-130.6144.8173.6-73.60000109.5T17 L18 W34 Q41 T45 V66 Y74T17-V64 WeakPolarHBondContact CA-O 3.48Å; L18-V64 HydrophobicContact CB-CG2 4.19Å; L18-V64 PolarHBondContact N-O 2.8Å; L18-V64 PolarHBondContact O-N 3.13Å; W34-V64 HydrophobicContact CB-CG1 3.64Å; W34-V64 HydrophobicContact CB-CG2 4.39Å; W34-V64 HydrophobicContact CD2-CG1 4.34Å; W34-V64 HydrophobicContact CD2-CG2 3.63Å; W34-V64 HydrophobicContact CE3-CG2 4.04Å; W34-V64 HydrophobicContact CG-CB 4.34Å; W34-V64 HydrophobicContact CG-CG1 3.59Å; W34-V64 HydrophobicContact CG-CG2 3.79Å; W34-V64 HydrophobicContact CZ2-CG2 4.34Å; Q41-V64 HydrophobicContact CB-CG1 4.46Å; T45-V64 HydrophobicContact CG2-CG1 4.42Å; T45-V64 VanDerWaalsContact OG1-CG1 3.27Å; T45-V64 WeakPolarHBondContact OG1-CG1 3.32Å; V64-V66 HydrophobicContact CB-CG1 4.42Å; V64-V66 HydrophobicContact CG2-CG1 3.8Å; V64-Y74 HydrophobicContact CG2-CD1 4.04Å
65V97.1Very high97.3Very high71 Ų7146.9 Ų46.943%0.4327%0.268SS..EExtended strand (participates in β ladder)trans-86129.2166.8-179.20000107.9L11 E15 A16L11-V65 HydrophobicContact CD1-CG1 4.05Å; L11-V65 HydrophobicContact CD1-CG2 4.13Å; E15-V65 HydrophobicContact CB-CG1 4.12Å; E15-V65 HydrophobicContact CG-CG1 4.34Å; A16-V65 CarbonylContact O-C 3.53Å; A16-V65 WeakPolarHBondContact O-CA 3.44Å
66V96.9Very high97.3Very high0 Ų041.3 Ų41.30%024%0.239CC..EExtended strand (participates in β ladder)trans-126.1145.1-176.8-52.90000110E15 A16 L18 V64 E71 Y74E15-V66 WeakPolarHBondContact CA-O 3.32Å; A16-V66 HydrophobicContact CB-CG2 4.41Å; A16-V66 PolarHBondContact N-O 3.21Å; A16-V66 PolarHBondContact O-N 2.91Å; L18-V66 HydrophobicContact CD1-CG1 4.04Å; L18-V66 HydrophobicContact CD1-CG2 4.14Å; L18-V66 HydrophobicContact CG-CG1 4.18Å; L18-V66 HydrophobicContact CG-CG2 3.91Å; V64-V66 HydrophobicContact CB-CG1 4.42Å; V64-V66 HydrophobicContact CG2-CG1 3.8Å; V66-E71 HydrophobicContact CG2-CG 4.02Å; V66-Y74 HydrophobicContact CB-CD2 4.06Å; V66-Y74 HydrophobicContact CB-CE2 3.78Å; V66-Y74 HydrophobicContact CG1-CD1 3.71Å; V66-Y74 HydrophobicContact CG1-CD2 3.62Å; V66-Y74 HydrophobicContact CG1-CE1 3.68Å; V66-Y74 HydrophobicContact CG1-CE2 3.62Å; V66-Y74 HydrophobicContact CG1-CG 3.66Å
67P97.1Very high97.3Very high47 Ų4740.8 Ų40.831%0.30522%0.22SC..EExtended strand (participates in β ladder)trans-63.3139.3169.1-19.932.4000110.8H14 G69 Q70H14-P67 CarbonylContact O-C 3.57Å; H14-P67 WeakPolarHBondContact O-CA 3.48Å; P67-G69 PolarHBondContact O-N 2.93Å; P67-Q70 HydrophobicContact CB-CB 4.4Å; P67-Q70 HydrophobicContact CB-CG 4.19Å; P67-Q70 WeakPolarHBondContact O-CB 3.37Å; P67-Q70 PolarHBondContact O-N 2.75Å
68S94.9Very high97.3Very high52 Ų5239.4 Ų39.436%0.36421%0.212SC..THydrogen-bonded Turntrans-57.2131.8175.4-68.10000110.8H14 E15 Q70 E71H14-S68 VanDerWaalsContact C-OG 3.28Å; H14-S68 PolarHBondContact O-N 2.94Å; E15-S68 PolarHBondContact N-OG 2.96Å; S68-Q70 VanDerWaalsContact C-N 3.35Å; S68-E71 WeakPolarHBondContact CA-OE1 3.48Å
69G95Very high97.3Very high68 Ų6842.4 Ų42.470%0.70123%0.226SC*.THydrogen-bonded Turntrans85.4-0.3-176.700000114.9P67 E71P67-G69 PolarHBondContact O-N 2.93Å; G69-E71 WeakPolarHBondContact CA-OE2 3.42Å; G69-E71 VanDerWaalsContact N-CD 3.31Å; G69-E71 PolarHBondContact N-OE1 2.8Å; G69-E71 PolarHBondContact N-OE2 2.68Å
70Q96.6Very high97.3Very high64 Ų6439.8 Ų39.830%0.29921%0.214SC..  trans-108.46.8175.3-61.7-166.347.400113.4P67 S68 Q72 R73 Y74P67-Q70 HydrophobicContact CB-CB 4.4Å; P67-Q70 HydrophobicContact CB-CG 4.19Å; P67-Q70 WeakPolarHBondContact O-CB 3.37Å; P67-Q70 PolarHBondContact O-N 2.75Å; S68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-Q72 VanDerWaalsContact C-N 3.26Å; Q70-Q72 PolarHBondContact O-N 3Å; Q70-R73 WeakPolarHBondContact O-CB 3.42Å; Q70-R73 PolarHBondContact O-N 3.06Å; Q70-Y74 HydrophobicContact CB-CE2 4.41Å; Q70-Y74 VanDerWaalsContact O-CD2 3.32Å; Q70-Y74 WeakPolarHBondContact O-CD2 3.17Å
71E96.8Very high97.2Very high21 Ų2147.6 Ų47.610%0.09825%0.248CC..G310 helixtrans-56.4-39.1-172-58.579.3-175.700112.2H8 L18 V66 S68 G69 R73 Y74 W91H8-E71 IonicContact NE2-OE1 3.9Å; L18-E71 HydrophobicContact CD1-CB 4.15Å; L18-E71 HydrophobicContact CD2-CG 4.38Å; V66-E71 HydrophobicContact CG2-CG 4.02Å; S68-E71 WeakPolarHBondContact CA-OE1 3.48Å; G69-E71 WeakPolarHBondContact CA-OE2 3.42Å; G69-E71 VanDerWaalsContact N-CD 3.31Å; G69-E71 PolarHBondContact N-OE1 2.8Å; G69-E71 PolarHBondContact N-OE2 2.68Å; E71-R73 PolarHBondContact O-N 3.38Å; E71-Y74 PolarHBondContact O-N 2.96Å; E71-W91 HydrophobicContact CB-CE3 3.69Å; E71-W91 HydrophobicContact CB-CZ3 4.23Å; E71-W91 HydrophobicContact CG-CE3 3.86Å; E71-W91 HydrophobicContact CG-CZ3 4.07Å
72Q96.4Very high97.1Very high125 Ų12547.7 Ų47.758%0.58426%0.26SS*.G310 helixtrans-68.1-15.1-179-63.2-58.7-42.300114.1Q70 W91Q70-Q72 VanDerWaalsContact C-N 3.26Å; Q70-Q72 PolarHBondContact O-N 3Å; Q72-W91 PolarHBondContact NE2-O 3.09Å
73R97.4Very high97Very high113 Ų11349.4 Ų49.443%0.42627%0.269SS..G310 helixtrans-77.8-15.1173.8-59.8177.771.5174.68.8112.2R36 D37 Q70 E71R36-R73 WeakPolarHBondContact CA-O 3.45Å; R36-R73 HydrophobicContact CG-CB 4.39Å; D37-R73 PolarHBondContact N-O 3.2Å; D37-R73 IonicContact OD1-CZ 3.12Å; D37-R73 IonicContact OD1-NE 2.94Å; D37-R73 PolarHBondContact OD1-NE 2.99Å; D37-R73 VanDerWaalsContact OD1-NE 3.14Å; D37-R73 IonicContact OD1-NH2 2.62Å; D37-R73 IonicContact OD2-CZ 4Å; D37-R73 IonicContact OD2-NE 3.97Å; D37-R73 PolarHBondContact OD2-NE 3.18Å; D37-R73 IonicContact OD2-NH2 3.14Å; D37-R73 PolarHBondContact OD2-NH2 3.04Å; Q70-R73 WeakPolarHBondContact O-CB 3.42Å; Q70-R73 PolarHBondContact O-N 3.06Å; E71-R73 PolarHBondContact O-N 3.38Å
74Y97.8Very high97Very high11 Ų1159.3 Ų59.34%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-101.3126.8-176.6-68.8-101.2000110.4Q35 R36 Q41 V64 V66 Q70 E71Q35-Y74 CarbonylContact O-C 3.55Å; Q35-Y74 VanDerWaalsContact O-CA 3.26Å; Q35-Y74 WeakPolarHBondContact O-CA 3.34Å; R36-Y74 HydrophobicContact CB-CD1 4.11Å; R36-Y74 HydrophobicContact CB-CE1 3.94Å; R36-Y74 WeakPolarHBondContact CD-OH 3.3Å; R36-Y74 HydrophobicContact CG-CD1 4.49Å; R36-Y74 HydrophobicContact CG-CE1 4.14Å; R36-Y74 HydrophobicContact CG-CE2 4.13Å; Q41-Y74 HydrophobicContact CG-CE1 4.38Å; V64-Y74 HydrophobicContact CG2-CD1 4.04Å; V66-Y74 HydrophobicContact CB-CD2 4.06Å; V66-Y74 HydrophobicContact CB-CE2 3.78Å; V66-Y74 HydrophobicContact CG1-CD1 3.71Å; V66-Y74 HydrophobicContact CG1-CD2 3.62Å; V66-Y74 HydrophobicContact CG1-CE1 3.68Å; V66-Y74 HydrophobicContact CG1-CE2 3.62Å; V66-Y74 HydrophobicContact CG1-CG 3.66Å; Q70-Y74 HydrophobicContact CB-CE2 4.41Å; Q70-Y74 VanDerWaalsContact O-CD2 3.32Å; Q70-Y74 WeakPolarHBondContact O-CD2 3.17Å; E71-Y74 PolarHBondContact O-N 2.96Å
75T98.1Very high96.9Very high30 Ų3066 Ų6618%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-125.8136.2176.652.40000110.7W34 Q35 H77 T88 L89W34-T75 WeakPolarHBondContact CA-O 3.45Å; Q35-T75 PolarHBondContact N-O 2.99Å; Q35-T75 PolarHBondContact O-N 2.9Å; T75-H77 PolarHBondContact OG1-NE2 2.83Å; T75-T88 HydrophobicContact CG2-CG2 3.99Å; T75-L89 CarbonylContact C-O 3.53Å; T75-L89 WeakPolarHBondContact CA-O 3.29Å
76C97.9Very high96.9Very high0 Ų066.5 Ų66.50%035%0.35CS..EExtended strand (participates in β ladder)trans-91.5122.4171175.70000109.7C20 T33 W34 T88 L89C20-C76 HydrophobicContact CB-CB 3.46Å; C20-C76 VanDerWaalsContact CB-CB 3.46Å; C20-C76 WeakPolarHBondContact CB-SG 3.45Å; C20-C76 WeakPolarHBondContact SG-CB 3.4Å; C20-C76 CovalentContact SG-SG 2.03Å; C20-C76 PolarHBondContact SG-SG 3.2Å; T33-C76 CarbonylContact O-C 3.57Å; T33-C76 WeakPolarHBondContact O-CA 3.27Å; W34-C76 HydrophobicContact CD2-CB 4.17Å; W34-C76 HydrophobicContact CE3-CB 4.12Å; W34-C76 HydrophobicContact CH2-CB 4.01Å; W34-C76 HydrophobicContact CZ2-CB 4.07Å; W34-C76 HydrophobicContact CZ3-CB 4.04Å; C76-T88 CarbonylContact O-C 3.5Å; C76-T88 WeakPolarHBondContact O-CA 3.25Å; C76-L89 HydrophobicContact CB-CB 4.31Å; C76-L89 PolarHBondContact N-O 2.92Å; C76-L89 PolarHBondContact O-N 3.48Å
77H97.7Very high96.9Very high47 Ų4768.9 Ų68.922%0.21836%0.363CS..EExtended strand (participates in β ladder)trans-100.9124.7176.6-70.8-114.2000109.1L32 T33 Q35 T75 L87 T88L32-H77 WeakPolarHBondContact CA-O 3.1Å; T33-H77 PolarHBondContact N-O 3.08Å; T33-H77 PolarHBondContact O-N 3.01Å; Q35-H77 PolarHBondContact OE1-CE1 3.18Å; Q35-H77 PolarHBondContact OE1-NE2 2.83Å; Q35-H77 VanDerWaalsContact OE1-NE2 3.08Å; T75-H77 PolarHBondContact OG1-NE2 2.83Å; H77-L87 CarbonylContact C-O 3.6Å; H77-L87 WeakPolarHBondContact CA-O 3.42Å; H77-T88 PolarHBondContact CE1-OG1 3.43Å
78M97.4Very high97Very high0 Ų070.6 Ų70.60%037%0.372CS..EExtended strand (participates in β ladder)trans-124.2130.2-176.6-175175.3-56.600111.6P2 T4 A22 I30 T31 L32 L83 P86 L87 L89P2-M78 HydrophobicContact CB-SD 3.92Å; P2-M78 HydrophobicContact CG-SD 3.6Å; T4-M78 HydrophobicContact CG2-CE 3.47Å; T4-M78 VanDerWaalsContact CG2-CE 3.47Å; T4-M78 HydrophobicContact CG2-SD 3.26Å; T4-M78 WeakPolarHBondContact CG2-SD 3.46Å; A22-M78 HydrophobicContact CB-CE 3.56Å; A22-M78 HydrophobicContact CB-SD 3.91Å; I30-M78 HydrophobicContact CD1-CG 4.26Å; I30-M78 HydrophobicContact CD1-SD 3.98Å; I30-M78 HydrophobicContact CG1-CG 4.41Å; T31-M78 WeakPolarHBondContact O-CA 3.48Å; L32-M78 HydrophobicContact CD1-CE 4.17Å; L32-M78 HydrophobicContact CD1-CG 4.32Å; L32-M78 HydrophobicContact CD2-CE 4.17Å; L32-M78 HydrophobicContact CG-CE 3.96Å; M78-L83 HydrophobicContact CG-CD1 4.35Å; M78-P86 WeakPolarHBondContact O-CA 3.33Å; M78-L87 HydrophobicContact CB-CB 4.37Å; M78-L87 PolarHBondContact N-O 2.89Å; M78-L87 PolarHBondContact O-N 2.62Å; M78-L89 HydrophobicContact CE-CD1 4.48Å
79Q98Very high97.1Very high111 Ų11169.8 Ų69.852%0.51936%0.364SS..EExtended strand (participates in β ladder)trans-124130.6173.6-59.3-179.84.500109.9I30 T31 P86I30-Q79 VanDerWaalsContact CG1-O 3.3Å; I30-Q79 WeakPolarHBondContact CG1-O 3.32Å; T31-Q79 PolarHBondContact N-O 2.8Å; T31-Q79 PolarHBondContact O-N 2.86Å; Q79-P86 HydrophobicContact CG-CB 4.1Å; Q79-P86 HydrophobicContact CG-CG 4.29Å
80H98.3Very high97.1Very high15 Ų1569.6 Ų69.67%0.06935%0.352CS..EExtended strand (participates in β ladder)trans-151.7142.5177.6-173-96.2000109.2P2 F25 Y26 P27 E29 I30 G82 L83P2-H80 HydrophobicContact CG-CB 4.08Å; F25-H80 AromaticContact CD2-CD2 3.89Å; F25-H80 AromaticContact CD2-NE2 3.68Å; Y26-H80 PolarHBondContact O-CE1 3.19Å; P27-H80 PolarHBondContact O-NE2 3.15Å; E29-H80 PolarHBondContact O-CD2 3.19Å; I30-H80 HydrophobicContact CD1-CB 4.26Å; I30-H80 HydrophobicContact CG1-CB 4.03Å; H80-G82 WeakPolarHBondContact ND1-CA 3.26Å; H80-G82 PolarHBondContact ND1-N 2.94Å; H80-G82 PolarHBondContact O-N 2.84Å; H80-L83 HydrophobicContact CB-CD1 3.94Å; H80-L83 HydrophobicContact CB-CG 4.11Å; H80-L83 WeakPolarHBondContact O-CB 3.36Å; H80-L83 PolarHBondContact O-N 3.14Å
81K97Very high96.9Very high186 Ų18673.1 Ų73.181%0.80936%0.363SS*.THydrogen-bonded Turntrans-56.8-26.8179.5-178.4177.9178.3-179.50113.6L83K81-L83 VanDerWaalsContact C-N 3.31Å
82G95.4Very high96.9Very high36 Ų3675.8 Ų75.837%0.37138%0.376SS..THydrogen-bonded Turntrans-81.1-5.6179.100000114.6P1 H80P1-G82 WeakPolarHBondContact CB-O 3.31Å; H80-G82 WeakPolarHBondContact ND1-CA 3.26Å; H80-G82 PolarHBondContact ND1-N 2.94Å; H80-G82 PolarHBondContact O-N 2.84Å
83L97.1Very high96.9Very high36 Ų3673.2 Ų73.219%0.18837%0.365CS..SBendtrans-93.4141.9174.7-63.7169.7000109.9P1 P2 M78 H80 K81 E85 L87P1-L83 HydrophobicContact CB-CD2 4.18Å; P2-L83 HydrophobicContact CG-CD1 4.01Å; P2-L83 HydrophobicContact CG-CD2 4.15Å; P2-L83 HydrophobicContact CG-CG 4.11Å; M78-L83 HydrophobicContact CG-CD1 4.35Å; H80-L83 HydrophobicContact CB-CD1 3.94Å; H80-L83 HydrophobicContact CB-CG 4.11Å; H80-L83 WeakPolarHBondContact O-CB 3.36Å; H80-L83 PolarHBondContact O-N 3.14Å; K81-L83 VanDerWaalsContact C-N 3.31Å; L83-E85 VanDerWaalsContact C-N 3.34Å; L83-E85 WeakPolarHBondContact CB-O 3.32Å; L83-L87 HydrophobicContact CD1-CD1 3.9Å; L83-L87 HydrophobicContact CD1-CG 3.92Å; L83-L87 HydrophobicContact CD2-CD1 3.66Å; L83-L87 HydrophobicContact CD2-CG 4.1Å; L83-L87 HydrophobicContact CG-CD1 4.44Å
84Q96.3Very high96.9Very high209 Ų20970.9 Ų70.998%0.97736%0.361SS*.SBendtrans-70.2-35.8174.4-72-178.2-21.200111.5
85E96.3Very high96.9Very high143 Ų14374.5 Ų74.567%0.66838%0.38SS*.SBendtrans-141156.1177.761.4-171.1170.500110.1L83L83-E85 VanDerWaalsContact C-N 3.34Å; L83-E85 WeakPolarHBondContact CB-O 3.32Å
86P96.6Very high96.8Very high82 Ų8277.3 Ų77.353%0.53239%0.392SS..  trans-55.6141.8172-24.335.2000111.6M78 Q79M78-P86 WeakPolarHBondContact O-CA 3.33Å; Q79-P86 HydrophobicContact CG-CB 4.1Å; Q79-P86 HydrophobicContact CG-CG 4.29Å
87L97.4Very high96.7Very high50 Ų5082.4 Ų82.426%0.26242%0.419SS..EExtended strand (participates in β ladder)trans-97.7141.2175.8-66.7176.1000110.6T4 H77 M78 L83T4-L87 HydrophobicContact CG2-CD1 4.25Å; H77-L87 CarbonylContact C-O 3.6Å; H77-L87 WeakPolarHBondContact CA-O 3.42Å; M78-L87 HydrophobicContact CB-CB 4.37Å; M78-L87 PolarHBondContact N-O 2.89Å; M78-L87 PolarHBondContact O-N 2.62Å; L83-L87 HydrophobicContact CD1-CD1 3.9Å; L83-L87 HydrophobicContact CD1-CG 3.92Å; L83-L87 HydrophobicContact CD2-CD1 3.66Å; L83-L87 HydrophobicContact CD2-CG 4.1Å; L83-L87 HydrophobicContact CG-CD1 4.44Å
88T97.9Very high96.6Very high83 Ų8384.9 Ų84.951%0.50943%0.433SS..EExtended strand (participates in β ladder)trans-117.8123.7168.7-61.70000108.2T75 C76 H77T75-T88 HydrophobicContact CG2-CG2 3.99Å; C76-T88 CarbonylContact O-C 3.5Å; C76-T88 WeakPolarHBondContact O-CA 3.25Å; H77-T88 PolarHBondContact CE1-OG1 3.43Å
89L97.1Very high96.6Very high36 Ų3691.5 Ų91.519%0.18847%0.466CS..EExtended strand (participates in β ladder)trans-122.7132.4-174.7-56.3164.3000109.7T4 V6 T75 C76 M78T4-L89 HydrophobicContact CG2-CD1 4.35Å; V6-L89 HydrophobicContact CG2-CB 3.86Å; T75-L89 CarbonylContact C-O 3.53Å; T75-L89 WeakPolarHBondContact CA-O 3.29Å; C76-L89 HydrophobicContact CB-CB 4.31Å; C76-L89 PolarHBondContact N-O 2.92Å; C76-L89 PolarHBondContact O-N 3.48Å; M78-L89 HydrophobicContact CE-CD1 4.48Å
90S95.6Very high96.4Very high63 Ų6389.8 Ų89.844%0.44146%0.462SS..  trans-112167.2167.6590000109.9
91W92.5Very high96.3Very high139 Ų13996.6 Ų96.653%0.52750%0.497SS..  trans-79.10171.517561.7000111.8V6 H8 L18 E71 Q72V6-W91 HydrophobicContact CG1-CB 3.96Å; H8-W91 HydrophobicContact CB-CD2 3.88Å; H8-W91 HydrophobicContact CB-CG 3.97Å; H8-W91 HydrophobicContact CB-CZ2 3.87Å; H8-W91 AromaticContact CG-CE2 3.68Å; H8-W91 AromaticContact CG-CZ2 3.75Å; H8-W91 AromaticContact CG-NE1 4Å; H8-W91 AromaticContact ND1-CZ2 3.77Å; L18-W91 HydrophobicContact CD1-CB 4.5Å; L18-W91 HydrophobicContact CD2-CB 3.84Å; L18-W91 HydrophobicContact CD2-CD2 4.46Å; L18-W91 HydrophobicContact CD2-CG 3.97Å; E71-W91 HydrophobicContact CB-CE3 3.69Å; E71-W91 HydrophobicContact CB-CZ3 4.23Å; E71-W91 HydrophobicContact CG-CE3 3.86Å; E71-W91 HydrophobicContact CG-CZ3 4.07Å; Q72-W91 PolarHBondContact NE2-O 3.09Å

Retrieved 91 of 91 residues in 42.8 ms (Link to these results)

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