A0A077ZEP8_TRITR Loading...

Nipsnap 1

AlphaFold DB , UniProt , Accession A0A077ZEP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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
1M64.5Low84.3Confident24 Ų2451.2 Ų51.212%0.11827%0.27CS..  0158.40-81.2-165.5-61.900110.2L17 W18 K19 L170 L179M1-L17 CarbonylContact C-O 3.55Å; M1-L17 HydrophobicContact CB-CB 4.29Å; M1-L17 HydrophobicContact CB-CD2 4.44Å; M1-L17 HydrophobicContact CB-CG 4.23Å; M1-L17 WeakPolarHBondContact CB-O 3.26Å; M1-L17 HydrophobicContact CE-CD1 4.45Å; M1-L17 HydrophobicContact CE-CD2 4.28Å; M1-L17 HydrophobicContact CE-CG 3.77Å; M1-L17 VanDerWaalsContact O-O 3.14Å; M1-L17 HydrophobicContact SD-CD2 3.56Å; M1-L17 VanDerWaalsContact SD-CD2 3.56Å; M1-L17 HydrophobicContact SD-CG 3.71Å; M1-W18 WeakPolarHBondContact CE-O 3.38Å; M1-K19 HydrophobicContact CE-CB 3.23Å; M1-K19 HydrophobicContact CE-CD 4.49Å; M1-K19 HydrophobicContact CE-CG 3.94Å; M1-K19 HydrophobicContact CG-CB 4.18Å; M1-K19 HydrophobicContact SD-CB 4.23Å; M1-L170 VanDerWaalsContact N-C 3.34Å; M1-L170 VanDerWaalsContact N-CB 3.29Å; M1-L170 PolarHBondContact N-O 3.42Å; M1-L170 WeakPolarHBondContact O-CB 3.43Å; M1-L170 WeakPolarHBondContact O-CD1 3.28Å; M1-L179 HydrophobicContact CE-CB 4.03Å; M1-L179 HydrophobicContact CE-CD2 3.27Å; M1-L179 HydrophobicContact CE-CG 3.55Å; M1-L179 HydrophobicContact SD-CD2 3.45Å; M1-L179 WeakPolarHBondContact SD-CD2 3.38Å; M1-L179 HydrophobicContact SD-CG 4.31Å
2G82.5Confident84.4Confident3 Ų351.1 Ų51.13%0.03127%0.27CS..  trans-75.9174.5-156.600000117.9W4 L17 K168G2-W4 WeakPolarHBondContact O-CZ3 3.19Å; G2-L17 PolarHBondContact O-N 3.07Å; G2-K168 CarbonylContact C-O 3.58Å; G2-K168 WeakPolarHBondContact CA-O 3.48Å
3S86.1Confident84.6Confident12 Ų1248.5 Ų48.58%0.08426%0.256CS..EExtended strand (participates in β ladder)trans-135137.9173.1-60.40000109.2V15 H16 I167 K168S3-V15 CarbonylContact C-O 3.6Å; S3-V15 WeakPolarHBondContact CA-O 3.43Å; S3-H16 VanDerWaalsContact CB-ND1 3.31Å; S3-H16 WeakPolarHBondContact CB-ND1 3.13Å; S3-H16 PolarHBondContact OG-ND1 2.95Å; S3-I167 WeakPolarHBondContact O-CA 3.34Å; S3-I167 WeakPolarHBondContact O-CB 3.39Å; S3-I167 PolarHBondContact O-N 3.38Å; S3-K168 PolarHBondContact N-O 3.23Å; S3-K168 PolarHBondContact O-N 3.04Å
4W88.4Confident84.7Confident14 Ų1445.9 Ų45.95%0.05324%0.244CC..EExtended strand (participates in β ladder)trans-133.1146.6-173.4-57.5-100.2000111.1G2 A14 V15 L17 Y73 I122 S164 N165 L166G2-W4 WeakPolarHBondContact O-CZ3 3.19Å; W4-A14 CarbonylContact O-C 3.52Å; W4-A14 WeakPolarHBondContact O-CA 3.44Å; W4-V15 PolarHBondContact N-O 3.42Å; W4-V15 PolarHBondContact O-N 3.43Å; W4-L17 HydrophobicContact CH2-CB 3.76Å; W4-L17 HydrophobicContact CH2-CD2 4.18Å; W4-L17 HydrophobicContact CZ3-CB 3.51Å; W4-Y73 AromaticContact CD1-CD2 3.84Å; W4-Y73 AromaticContact CD1-CG 3.7Å; W4-Y73 HydrophobicContact CZ2-CD1 4.37Å; W4-Y73 HydrophobicContact CZ2-CE1 4.44Å; W4-Y73 AromaticContact NE1-CD1 3.43Å; W4-Y73 AromaticContact NE1-CD2 3.46Å; W4-Y73 AromaticContact NE1-CE1 3.89Å; W4-Y73 AromaticContact NE1-CE2 3.94Å; W4-Y73 AromaticContact NE1-CG 3.17Å; W4-I122 HydrophobicContact CH2-CD1 4.47Å; W4-S164 WeakPolarHBondContact CB-OG 3.33Å; W4-N165 CarbonylContact C-O 3.58Å; W4-N165 WeakPolarHBondContact CA-O 3.42Å; W4-N165 WeakPolarHBondContact CB-O 3.26Å; W4-L166 VanDerWaalsContact CD1-CA 3.47Å; W4-L166 HydrophobicContact CD2-CD1 4.24Å; W4-L166 HydrophobicContact CG-CD1 4.35Å; W4-L166 HydrophobicContact CZ2-CD1 3.99Å; W4-L166 VanDerWaalsContact NE1-CD1 3.27Å
5K88.7Confident84.9Confident99 Ų9943.4 Ų43.443%0.4323%0.232SC..EExtended strand (participates in β ladder)trans-102.9125.8168.8-171.5173.9178.2178.60107.9I7 D12 S164 N165 I167K5-I7 PolarHBondContact O-N 3.36Å; K5-D12 IonicContact NZ-OD1 3.49Å; K5-S164 CarbonylContact O-C 3.54Å; K5-S164 WeakPolarHBondContact O-CA 3.27Å; K5-S164 VanDerWaalsContact O-CB 3.27Å; K5-S164 WeakPolarHBondContact O-CB 3.16Å; K5-N165 PolarHBondContact N-O 3.16Å; K5-N165 PolarHBondContact O-N 2.7Å; K5-I167 HydrophobicContact CB-CD1 3.71Å; K5-I167 HydrophobicContact CB-CG1 3.94Å
6C87.9Confident85.1Confident3 Ų342.9 Ų42.92%0.0223%0.227CC..EExtended strand (participates in β ladder)trans-66130.4173-169.70000110F8 D10 M13C6-F8 PolarHBondContact SG-O 2.77Å; C6-F8 VanDerWaalsContact SG-O 3.33Å; C6-D10 WeakPolarHBondContact CB-O 3.38Å; C6-D10 PolarHBondContact SG-O 2.91Å; C6-M13 HydrophobicContact CB-CB 3.86Å; C6-M13 HydrophobicContact CB-CE 3.86Å; C6-M13 WeakPolarHBondContact CB-O 3.47Å; C6-M13 PolarHBondContact N-O 2.95Å
7I88.2Confident85.3Confident50 Ų5040.5 Ų40.526%0.25622%0.215SC..EExtended strand (participates in β ladder)trans-114-30.417754.7164.4000111.9K5 I163K5-I7 PolarHBondContact O-N 3.36Å; I7-I163 HydrophobicContact CD1-CG2 4.25Å; I7-I163 HydrophobicContact CG1-CG2 4.29Å; I7-I163 WeakPolarHBondContact CG1-O 3.28Å; I7-I163 PolarHBondContact N-O 2.89Å
8F87.3Confident85.4Confident105 Ų10544.2 Ų44.246%0.46123%0.225SC..EExtended strand (participates in β ladder)trans-129.1129.7175.2-58.7-75.9000110.6C6 L128 F162 I163C6-F8 PolarHBondContact SG-O 2.77Å; C6-F8 VanDerWaalsContact SG-O 3.33Å; F8-L128 HydrophobicContact CE2-CD1 4Å; F8-L128 HydrophobicContact CZ-CD1 4.28Å; F8-F162 WeakPolarHBondContact O-CA 3.42Å; F8-I163 HydrophobicContact CB-CB 4.13Å; F8-I163 HydrophobicContact CD2-CB 4Å; F8-I163 HydrophobicContact CD2-CG2 4.1Å; F8-I163 PolarHBondContact N-O 2.98Å; F8-I163 VanDerWaalsContact N-O 3.1Å; F8-I163 PolarHBondContact O-N 3.46Å
9G86.7Confident85.5Confident50 Ų5045.2 Ų45.252%0.51523%0.228SC..SBendtrans103.5-135.7-167.200000109.8Q11G9-Q11 PolarHBondContact O-N 2.93Å
10D83.5Confident85.7Confident79 Ų7943.9 Ų43.942%0.42222%0.22SC..SBendtrans-68.896.6179.9-62.2-23.2000110.7C6 M13 F162C6-D10 WeakPolarHBondContact CB-O 3.38Å; C6-D10 PolarHBondContact SG-O 2.91Å; D10-M13 HydrophobicContact CB-CB 4.33Å; D10-M13 HydrophobicContact CB-CE 4.34Å; D10-M13 HydrophobicContact CB-SD 4.43Å; D10-M13 WeakPolarHBondContact O-CB 3.29Å; D10-M13 PolarHBondContact O-N 3.26Å; D10-F162 HydrophobicContact CB-CD1 4.33Å; D10-F162 HydrophobicContact CB-CE1 3.95Å; D10-F162 VanDerWaalsContact CG-CE1 3.46Å; D10-F162 WeakPolarHBondContact OD2-CE1 3.36Å; D10-F162 WeakPolarHBondContact OD2-CZ 3.4Å
11Q83.9Confident85.6Confident124 Ų12446.1 Ų46.158%0.57924%0.24SC*.THydrogen-bonded Turntrans-66.3154.8179.4-68.2-174.4-12.900111.1G9 M13 H185G9-Q11 PolarHBondContact O-N 2.93Å; Q11-M13 PolarHBondContact O-N 2.8Å; Q11-M13 VanDerWaalsContact O-N 3.1Å; Q11-H185 PolarHBondContact O-CE1 3.3Å
12D84.8Confident86.8Confident50 Ų5050.7 Ų50.727%0.26726%0.259SS..THydrogen-bonded Turntrans61.116.4-175-52.7-57.7000114.1K5 L186 C188K5-D12 IonicContact NZ-OD1 3.49Å; D12-L186 HydrophobicContact CB-CB 4.35Å; D12-L186 WeakPolarHBondContact O-CB 3.48Å; D12-L186 PolarHBondContact O-N 3.44Å; D12-C188 PolarHBondContact OD2-SG 2.96Å
13M86.8Confident87.1Confident18 Ų1851.5 Ų51.59%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-84.6129.3165.6-174.4178.758.500110.8C6 D10 Q11 V15 F162 A183 Y184C6-M13 HydrophobicContact CB-CB 3.86Å; C6-M13 HydrophobicContact CB-CE 3.86Å; C6-M13 WeakPolarHBondContact CB-O 3.47Å; C6-M13 PolarHBondContact N-O 2.95Å; D10-M13 HydrophobicContact CB-CB 4.33Å; D10-M13 HydrophobicContact CB-CE 4.34Å; D10-M13 HydrophobicContact CB-SD 4.43Å; D10-M13 WeakPolarHBondContact O-CB 3.29Å; D10-M13 PolarHBondContact O-N 3.26Å; Q11-M13 PolarHBondContact O-N 2.8Å; Q11-M13 VanDerWaalsContact O-N 3.1Å; M13-V15 HydrophobicContact CE-CG2 3.91Å; M13-V15 HydrophobicContact CG-CG2 4.16Å; M13-V15 HydrophobicContact SD-CG2 4.13Å; M13-F162 HydrophobicContact CE-CB 4.16Å; M13-F162 HydrophobicContact CE-CD1 3.94Å; M13-F162 HydrophobicContact CE-CD2 4.2Å; M13-F162 HydrophobicContact CE-CE1 4.44Å; M13-F162 HydrophobicContact CE-CG 3.83Å; M13-A183 HydrophobicContact CG-CB 4.19Å; M13-A183 HydrophobicContact SD-CB 3.95Å; M13-Y184 CarbonylContact C-O 3.57Å; M13-Y184 VanDerWaalsContact CA-O 3.22Å; M13-Y184 WeakPolarHBondContact CA-O 3.47Å
14A86.5Confident87.2Confident11 Ų1156.3 Ų56.39%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-107129.416700000109.8W4 A183 Y184W4-A14 CarbonylContact O-C 3.52Å; W4-A14 WeakPolarHBondContact O-CA 3.44Å; A14-A183 CarbonylContact O-C 3.44Å; A14-A183 VanDerWaalsContact O-CA 3.3Å; A14-A183 WeakPolarHBondContact O-CA 3.31Å; A14-Y184 PolarHBondContact N-O 3.02Å; A14-Y184 PolarHBondContact O-N 3.13Å
15V88Confident87.4Confident9 Ų959.8 Ų59.86%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-112.1133.8178.5-178.80000109S3 W4 M13 L75 L181 K182 A183S3-V15 CarbonylContact C-O 3.6Å; S3-V15 WeakPolarHBondContact CA-O 3.43Å; W4-V15 PolarHBondContact N-O 3.42Å; W4-V15 PolarHBondContact O-N 3.43Å; M13-V15 HydrophobicContact CE-CG2 3.91Å; M13-V15 HydrophobicContact CG-CG2 4.16Å; M13-V15 HydrophobicContact SD-CG2 4.13Å; V15-L75 HydrophobicContact CG1-CD2 4.09Å; V15-L75 HydrophobicContact CG2-CD2 4.46Å; V15-L181 HydrophobicContact CG1-CD1 3.37Å; V15-L181 HydrophobicContact CG1-CG 4.27Å; V15-K182 CarbonylContact C-O 3.54Å; V15-K182 WeakPolarHBondContact CA-O 3.21Å; V15-A183 HydrophobicContact CG2-CB 4.3Å
16H87.8Confident87.4Confident35 Ų3555.4 Ų55.416%0.16229%0.29CS..EExtended strand (participates in β ladder)trans-128.6136.4178.5-51.2-93.5000110.4S3 W18 L181 K182 Y184S3-H16 VanDerWaalsContact CB-ND1 3.31Å; S3-H16 WeakPolarHBondContact CB-ND1 3.13Å; S3-H16 PolarHBondContact OG-ND1 2.95Å; H16-W18 HydrophobicContact CB-CZ2 4.44Å; H16-W18 VanDerWaalsContact CB-NE1 3.27Å; H16-L181 WeakPolarHBondContact O-CA 3.3Å; H16-K182 HydrophobicContact CB-CB 4.38Å; H16-K182 PolarHBondContact N-O 3.45Å; H16-K182 PolarHBondContact O-N 2.88Å; H16-Y184 AromaticContact CD2-CD2 3.45Å; H16-Y184 VanDerWaalsContact CD2-CD2 3.45Å; H16-Y184 WeakPolarHBondContact CD2-CD2 3.43Å; H16-Y184 AromaticContact CD2-CE2 3.39Å; H16-Y184 WeakPolarHBondContact CD2-CE2 3.37Å; H16-Y184 AromaticContact NE2-CD2 3.66Å; H16-Y184 AromaticContact NE2-CE2 3.81Å
17L89.1Confident87.5Confident3 Ų355.8 Ų55.82%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-114.5119.9175.7-173.568.5000108.2M1 G2 W4 M55 F109 I122 L179 T180 L181M1-L17 CarbonylContact C-O 3.55Å; M1-L17 HydrophobicContact CB-CB 4.29Å; M1-L17 HydrophobicContact CB-CD2 4.44Å; M1-L17 HydrophobicContact CB-CG 4.23Å; M1-L17 WeakPolarHBondContact CB-O 3.26Å; M1-L17 HydrophobicContact CE-CD1 4.45Å; M1-L17 HydrophobicContact CE-CD2 4.28Å; M1-L17 HydrophobicContact CE-CG 3.77Å; M1-L17 VanDerWaalsContact O-O 3.14Å; M1-L17 HydrophobicContact SD-CD2 3.56Å; M1-L17 VanDerWaalsContact SD-CD2 3.56Å; M1-L17 HydrophobicContact SD-CG 3.71Å; G2-L17 PolarHBondContact O-N 3.07Å; W4-L17 HydrophobicContact CH2-CB 3.76Å; W4-L17 HydrophobicContact CH2-CD2 4.18Å; W4-L17 HydrophobicContact CZ3-CB 3.51Å; L17-M55 HydrophobicContact CD1-CE 3.67Å; L17-F109 HydrophobicContact CD2-CE2 4.3Å; L17-F109 HydrophobicContact CD2-CZ 4.14Å; L17-I122 HydrophobicContact CD2-CD1 3.78Å; L17-L179 HydrophobicContact CD1-CB 4.14Å; L17-L179 HydrophobicContact CD1-CD2 3.75Å; L17-L179 HydrophobicContact CD2-CD2 4.05Å; L17-L179 HydrophobicContact CG-CD2 4Å; L17-T180 CarbonylContact C-O 3.54Å; L17-T180 VanDerWaalsContact CA-O 3.3Å; L17-T180 WeakPolarHBondContact CA-O 3.22Å; L17-L181 HydrophobicContact CD1-CD1 4.36Å
18W87.3Confident87.6Confident106 Ų10658.1 Ų58.140%0.40231%0.305SS..EExtended strand (participates in β ladder)trans-119.3145.5-179.2-54.585.9000112M1 H16 Y20 L170 L179 T180M1-W18 WeakPolarHBondContact CE-O 3.38Å; H16-W18 HydrophobicContact CB-CZ2 4.44Å; H16-W18 VanDerWaalsContact CB-NE1 3.27Å; W18-Y20 HydrophobicContact CB-CE2 4.28Å; W18-L170 HydrophobicContact CZ3-CD1 4.39Å; W18-L179 CarbonylContact O-C 3.51Å; W18-L179 WeakPolarHBondContact O-CA 3.14Å; W18-T180 WeakPolarHBondContact CB-OG1 3.25Å; W18-T180 PolarHBondContact N-O 2.91Å; W18-T180 PolarHBondContact O-N 3.44Å
19K86.7Confident87.7Confident63 Ų6356 Ų5627%0.27430%0.297SS..EExtended strand (participates in β ladder)trans-110.6132.8-172.5-166.8169.6165.91750108.8M1 T172 V174 L177M1-K19 HydrophobicContact CE-CB 3.23Å; M1-K19 HydrophobicContact CE-CD 4.49Å; M1-K19 HydrophobicContact CE-CG 3.94Å; M1-K19 HydrophobicContact CG-CB 4.18Å; M1-K19 HydrophobicContact SD-CB 4.23Å; K19-T172 PolarHBondContact NZ-O 3.43Å; K19-V174 PolarHBondContact NZ-O 2.9Å; K19-L177 HydrophobicContact CD-CD1 4.3Å; K19-L177 HydrophobicContact CG-CB 4.38Å; K19-L177 HydrophobicContact CG-CD1 4.41Å
20Y88.5Confident87.7Confident20 Ų2056 Ų568%0.07829%0.287CS..EExtended strand (participates in β ladder)trans-112.798174-63.2-88.5000109.1W18 K22 G23 V27 V30 M178 T180W18-Y20 HydrophobicContact CB-CE2 4.28Å; Y20-K22 PolarHBondContact O-N 2.82Å; Y20-G23 PolarHBondContact O-N 3.13Å; Y20-G23 VanDerWaalsContact O-N 3.14Å; Y20-V27 HydrophobicContact CD1-CB 4.31Å; Y20-V27 HydrophobicContact CD1-CG2 3.66Å; Y20-V27 HydrophobicContact CD2-CG2 3.84Å; Y20-V27 HydrophobicContact CE1-CB 4.39Å; Y20-V27 HydrophobicContact CE1-CG2 3.98Å; Y20-V27 HydrophobicContact CE2-CG2 4.21Å; Y20-V27 HydrophobicContact CG-CG2 3.55Å; Y20-V30 HydrophobicContact CE1-CB 4.02Å; Y20-V30 HydrophobicContact CE1-CG1 4.36Å; Y20-V30 HydrophobicContact CE1-CG2 3.93Å; Y20-M178 PolarHBondContact N-O 3.33Å; Y20-T180 HydrophobicContact CD2-CG2 4.42Å; Y20-T180 HydrophobicContact CE2-CG2 3.5Å; Y20-T180 VanDerWaalsContact CE2-CG2 3.5Å
21S85.6Confident87.8Confident91 Ų9155.3 Ų55.364%0.63629%0.285SS*.THydrogen-bonded Turntrans-65.1-22.9-178.851.20000114.1L177S21-L177 WeakPolarHBondContact O-CD2 3.48Å
22K88Confident87.9Confident120 Ų12056.7 Ų56.752%0.52229%0.285SS..THydrogen-bonded Turntrans-98.916.9175.8-59.4178-178.3170.30113.1Y20 V25 G26 E29Y20-K22 PolarHBondContact O-N 2.82Å; K22-V25 HydrophobicContact CB-CB 4.36Å; K22-V25 PolarHBondContact O-N 2.87Å; K22-G26 PolarHBondContact O-N 3.5Å; K22-E29 IonicContact NZ-OE1 2.85Å; K22-E29 PolarHBondContact NZ-OE1 3Å; K22-E29 IonicContact NZ-OE2 2.76Å; K22-E29 PolarHBondContact NZ-OE2 3.4Å
23G88.6Confident87.9Confident20 Ų2059 Ų5921%0.20630%0.297CS..Hα-helixtrans57.8-139.1-175.700000112.3Y20 V25 G26 V27Y20-G23 PolarHBondContact O-N 3.13Å; Y20-G23 VanDerWaalsContact O-N 3.14Å; G23-V25 VanDerWaalsContact C-N 3.29Å; G23-V25 PolarHBondContact O-N 3.45Å; G23-G26 PolarHBondContact O-N 3.23Å; G23-V27 PolarHBondContact O-N 3.17Å
24Y89.6Confident87.5Confident112 Ų11261.6 Ų61.644%0.43931%0.308SS..Hα-helixtrans-57.7-36.8178.6-71.7-70.3000113.4G26 V27 D28 I113 M178Y24-G26 PolarHBondContact O-N 3.46Å; Y24-V27 CarbonylContact O-C 3.53Å; Y24-V27 WeakPolarHBondContact O-CA 3.32Å; Y24-V27 WeakPolarHBondContact O-CB 3.33Å; Y24-V27 PolarHBondContact O-N 3.49Å; Y24-D28 PolarHBondContact O-N 3.33Å; Y24-I113 HydrophobicContact CE1-CD1 4.01Å; Y24-M178 HydrophobicContact CD1-CE 3.78Å; Y24-M178 HydrophobicContact CD1-SD 3.62Å; Y24-M178 HydrophobicContact CD2-CE 4.23Å; Y24-M178 HydrophobicContact CD2-SD 4.43Å; Y24-M178 HydrophobicContact CE1-CE 3.18Å; Y24-M178 HydrophobicContact CE1-SD 3.68Å; Y24-M178 HydrophobicContact CE2-CE 3.68Å; Y24-M178 HydrophobicContact CE2-SD 4.46Å; Y24-M178 HydrophobicContact CG-CE 4.27Å; Y24-M178 HydrophobicContact CG-SD 4.03Å; Y24-M178 WeakPolarHBondContact OH-CE 3.34Å
25V91.3Very high87Confident88 Ų8866.7 Ų66.753%0.53333%0.333SS..Hα-helixtrans-58.5-40.3176.6-179.70000110.7K22 G23 V27 D28 E29K22-V25 HydrophobicContact CB-CB 4.36Å; K22-V25 PolarHBondContact O-N 2.87Å; G23-V25 VanDerWaalsContact C-N 3.29Å; G23-V25 PolarHBondContact O-N 3.45Å; V25-V27 VanDerWaalsContact C-N 3.34Å; V25-D28 PolarHBondContact O-N 3.41Å; V25-E29 VanDerWaalsContact O-CG 3.31Å; V25-E29 WeakPolarHBondContact O-CG 3.41Å; V25-E29 PolarHBondContact O-N 2.84Å
26G89.7Confident86.4Confident6 Ų672.4 Ų72.46%0.06236%0.362CS..Hα-helixtrans-69-32.3175.200000113.1K22 G23 Y24 V30K22-G26 PolarHBondContact O-N 3.5Å; G23-G26 PolarHBondContact O-N 3.23Å; Y24-G26 PolarHBondContact O-N 3.46Å; G26-V30 WeakPolarHBondContact O-CG2 3.31Å; G26-V30 PolarHBondContact O-N 3.3Å
27V88.8Confident85.5Confident12 Ų1277.2 Ų77.27%0.07339%0.386CS..Hα-helixtrans-66.3-44.4174.1178.10000110.1Y20 G23 Y24 V25 V30 T31 L54 M178Y20-V27 HydrophobicContact CD1-CB 4.31Å; Y20-V27 HydrophobicContact CD1-CG2 3.66Å; Y20-V27 HydrophobicContact CD2-CG2 3.84Å; Y20-V27 HydrophobicContact CE1-CB 4.39Å; Y20-V27 HydrophobicContact CE1-CG2 3.98Å; Y20-V27 HydrophobicContact CE2-CG2 4.21Å; Y20-V27 HydrophobicContact CG-CG2 3.55Å; G23-V27 PolarHBondContact O-N 3.17Å; Y24-V27 CarbonylContact O-C 3.53Å; Y24-V27 WeakPolarHBondContact O-CA 3.32Å; Y24-V27 WeakPolarHBondContact O-CB 3.33Å; Y24-V27 PolarHBondContact O-N 3.49Å; V25-V27 VanDerWaalsContact C-N 3.34Å; V27-V30 PolarHBondContact O-N 3.07Å; V27-T31 WeakPolarHBondContact O-CB 3.41Å; V27-T31 PolarHBondContact O-N 3.26Å; V27-T31 PolarHBondContact O-OG1 3.33Å; V27-L54 HydrophobicContact CG1-CD1 4.04Å; V27-L54 HydrophobicContact CG1-CD2 4.09Å; V27-L54 HydrophobicContact CG2-CD2 3.68Å; V27-M178 HydrophobicContact CG2-CG 4.29Å; V27-M178 HydrophobicContact CG2-SD 3.73Å
28D91Very high84.2Confident99 Ų9983 Ų8353%0.52941%0.413SS..Hα-helixtrans-64.6-43.6179-65.8-20.9000111.5Y24 V25 V30 T31 R32Y24-D28 PolarHBondContact O-N 3.33Å; V25-D28 PolarHBondContact O-N 3.41Å; D28-V30 PolarHBondContact O-N 3.19Å; D28-T31 PolarHBondContact O-N 2.86Å; D28-R32 WeakPolarHBondContact O-CB 3.43Å; D28-R32 PolarHBondContact O-N 2.94Å
29E89.7Confident82.8Confident61 Ų6183.3 Ų83.329%0.28543%0.432SS..Hα-helixtrans-54.9-50.4174.2-76.8174.7178.400111.3K22 V25 L33K22-E29 IonicContact NZ-OE1 2.85Å; K22-E29 PolarHBondContact NZ-OE1 3Å; K22-E29 IonicContact NZ-OE2 2.76Å; K22-E29 PolarHBondContact NZ-OE2 3.4Å; V25-E29 VanDerWaalsContact O-CG 3.31Å; V25-E29 WeakPolarHBondContact O-CG 3.41Å; V25-E29 PolarHBondContact O-N 2.84Å; E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 2.81Å
30V86.1Confident81.5Confident50 Ų5087.3 Ų87.330%0.30345%0.451SS..Hα-helixtrans-70-35.5-179.7171.50000112Y20 G26 V27 D28 L33 K34Y20-V30 HydrophobicContact CE1-CB 4.02Å; Y20-V30 HydrophobicContact CE1-CG1 4.36Å; Y20-V30 HydrophobicContact CE1-CG2 3.93Å; G26-V30 WeakPolarHBondContact O-CG2 3.31Å; G26-V30 PolarHBondContact O-N 3.3Å; V27-V30 PolarHBondContact O-N 3.07Å; D28-V30 PolarHBondContact O-N 3.19Å; V30-L33 PolarHBondContact O-N 3.18Å; V30-K34 HydrophobicContact CG1-CD 4.3Å; V30-K34 WeakPolarHBondContact O-CG 3.45Å; V30-K34 PolarHBondContact O-N 3.14Å
31T86.3Confident80.5Confident64 Ų6489.7 Ų89.739%0.39347%0.465SS..Hα-helixtrans-65.4-44.4178-58.90000110.5V27 D28 L33 K34 L35V27-T31 WeakPolarHBondContact O-CB 3.41Å; V27-T31 PolarHBondContact O-N 3.26Å; V27-T31 PolarHBondContact O-OG1 3.33Å; D28-T31 PolarHBondContact O-N 2.86Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 2.72Å; T31-K34 PolarHBondContact O-N 2.85Å; T31-L35 HydrophobicContact CG2-CD1 4.49Å; T31-L35 WeakPolarHBondContact O-CG 3.4Å; T31-L35 PolarHBondContact O-N 3.36Å
32R86.6Confident79.9Confident153 Ų15395.2 Ų95.258%0.57747%0.472SS*.Hα-helixtrans-59.2-42.1174.4-174.1178.164.4-126.5-1.5112.1D28 I36D28-R32 WeakPolarHBondContact O-CB 3.43Å; D28-R32 PolarHBondContact O-N 2.94Å; R32-I36 WeakPolarHBondContact O-CG1 3.4Å; R32-I36 PolarHBondContact O-N 3.4Å
33L83.6Confident79.2Confident99 Ų9993.3 Ų93.352%0.51846%0.464SS..Hα-helixtrans-64.6-41.3176-70.1173.2000112.2E29 V30 T31 I36 M37E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 2.81Å; V30-L33 PolarHBondContact O-N 3.18Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 2.72Å; L33-I36 PolarHBondContact O-N 3.3Å; L33-M37 WeakPolarHBondContact O-CG 3.42Å; L33-M37 PolarHBondContact O-N 2.9Å; L33-M37 VanDerWaalsContact O-N 3.14Å
34K78.3Confident78.6Confident71 Ų7195.5 Ų95.531%0.30947%0.473SS..Hα-helixtrans-63.4-42.6177.9-78.5176.1-179.91540112.9V30 T31 I36 M37 E38V30-K34 HydrophobicContact CG1-CD 4.3Å; V30-K34 WeakPolarHBondContact O-CG 3.45Å; V30-K34 PolarHBondContact O-N 3.14Å; T31-K34 PolarHBondContact O-N 2.85Å; K34-I36 PolarHBondContact O-N 3.44Å; K34-M37 CarbonylContact O-C 3.56Å; K34-M37 PolarHBondContact O-N 3.18Å; K34-E38 WeakPolarHBondContact O-CB 3.37Å; K34-E38 WeakPolarHBondContact O-CG 3.43Å; K34-E38 PolarHBondContact O-N 3.03Å
35L77.2Confident78.2Confident119 Ų11998.7 Ų98.762%0.62349%0.489SS*.Hα-helixtrans-59-29.6177.3-70.7170.6000112.6T31T31-L35 HydrophobicContact CG2-CD1 4.49Å; T31-L35 WeakPolarHBondContact O-CG 3.4Å; T31-L35 PolarHBondContact O-N 3.36Å
36I75.3Confident77.7Confident128 Ų12899.9 Ų99.966%0.65649%0.485SS*.Hα-helixtrans-78.4-35175.7-62165.4000111.2R32 L33 K34R32-I36 WeakPolarHBondContact O-CG1 3.4Å; R32-I36 PolarHBondContact O-N 3.4Å; L33-I36 PolarHBondContact O-N 3.3Å; K34-I36 PolarHBondContact O-N 3.44Å
37M68.7Low77.3Confident137 Ų137100.7 Ų100.768%0.67549%0.489SS*.Hα-helixtrans-86.6-13.9-177.1-65.6178.169.900114.3L33 K34 S39 E40L33-M37 WeakPolarHBondContact O-CG 3.42Å; L33-M37 PolarHBondContact O-N 2.9Å; L33-M37 VanDerWaalsContact O-N 3.14Å; K34-M37 CarbonylContact O-C 3.56Å; K34-M37 PolarHBondContact O-N 3.18Å; M37-S39 PolarHBondContact O-N 3.48Å; M37-E40 PolarHBondContact O-N 3.17Å
38E61Low77.2Confident124 Ų124106.9 Ų106.958%0.57952%0.515SS*.G310 helixtrans-61.4-12.7-168.1-102.4176.4-16800115K34 E40K34-E38 WeakPolarHBondContact O-CB 3.37Å; K34-E38 WeakPolarHBondContact O-CG 3.43Å; K34-E38 PolarHBondContact O-N 3.03Å; E38-E40 PolarHBondContact O-N 3.24Å
39S58.6Low76.9Confident113 Ų113106.7 Ų106.779%0.7951%0.514SS*.G310 helixtrans-59.7-14.1172.965.60000113.9M37M37-S39 PolarHBondContact O-N 3.48Å
40E60.2Low76.7Confident147 Ų147108.9 Ų108.969%0.68752%0.52SS*.G310 helixtrans-129.924.1-172.8-62.1-170.2172.500115.9M37 E38 R42M37-E40 PolarHBondContact O-N 3.17Å; E38-E40 PolarHBondContact O-N 3.24Å; E40-R42 PolarHBondContact O-N 2.9Å
41D67.5Low76.8Confident70 Ų70110.2 Ų110.237%0.37453%0.526SS..  trans-73.372.7173.6-166.40.2000111.4F43 V44 R50D41-F43 PolarHBondContact O-N 3.19Å; D41-F43 VanDerWaalsContact OD1-CB 3.32Å; D41-F43 WeakPolarHBondContact OD1-CB 3.24Å; D41-F43 PolarHBondContact OD1-N 3.37Å; D41-V44 HydrophobicContact CB-CG2 3.74Å; D41-V44 WeakPolarHBondContact O-CB 3.23Å; D41-V44 VanDerWaalsContact O-CG2 3.22Å; D41-V44 WeakPolarHBondContact O-CG2 3.23Å; D41-V44 PolarHBondContact O-N 3.48Å; D41-V44 WeakPolarHBondContact OD2-CG2 3.38Å; D41-R50 IonicContact OD2-CZ 3.59Å; D41-R50 IonicContact OD2-NH1 3.74Å; D41-R50 PolarHBondContact OD2-NH1 3.01Å
42R72Confident76.8Confident207 Ų207111 Ų11178%0.78153%0.527SS*.THydrogen-bonded Turntrans-55.4-21.9177.9-69.2-174.2-75.3178.4-4.5112.6E40 V44 Y46E40-R42 PolarHBondContact O-N 2.9Å; R42-V44 VanDerWaalsContact C-N 3.31Å; R42-Y46 WeakPolarHBondContact O-CD2 3.46Å
43F73.1Confident77.1Confident80 Ų80104.5 Ų104.535%0.35151%0.505SS..THydrogen-bonded Turntrans-72.7-24.9-179-163.3-111.6000112.5D41 K45 Y46 C47 Y184 L186D41-F43 PolarHBondContact O-N 3.19Å; D41-F43 VanDerWaalsContact OD1-CB 3.32Å; D41-F43 WeakPolarHBondContact OD1-CB 3.24Å; D41-F43 PolarHBondContact OD1-N 3.37Å; F43-K45 PolarHBondContact O-N 2.78Å; F43-Y46 PolarHBondContact O-N 2.87Å; F43-C47 WeakPolarHBondContact CD1-SG 3.2Å; F43-C47 WeakPolarHBondContact CE1-SG 3.42Å; F43-C47 PolarHBondContact O-N 3Å; F43-C47 PolarHBondContact O-SG 2.7Å; F43-Y184 HydrophobicContact CD1-CD1 4.01Å; F43-Y184 HydrophobicContact CD1-CE1 4.24Å; F43-Y184 AromaticContact CE1-CD1 3.63Å; F43-Y184 HydrophobicContact CE1-CD1 3.63Å; F43-Y184 HydrophobicContact CE1-CE1 4.2Å; F43-Y184 AromaticContact CE1-CG 3.98Å; F43-Y184 HydrophobicContact CE1-CG 3.98Å; F43-L186 HydrophobicContact CE1-CD2 3.72Å; F43-L186 HydrophobicContact CE2-CD2 3.58Å; F43-L186 HydrophobicContact CZ-CD1 4.04Å; F43-L186 HydrophobicContact CZ-CD2 3.12Å; F43-L186 HydrophobicContact CZ-CG 4.02Å
44V75.5Confident77.5Confident66 Ų66100.8 Ų100.840%0.449%0.486SS..G310 helixtrans-53.8-41.2178-179.50000111.3D41 R42 Y46 C47D41-V44 HydrophobicContact CB-CG2 3.74Å; D41-V44 WeakPolarHBondContact O-CB 3.23Å; D41-V44 VanDerWaalsContact O-CG2 3.22Å; D41-V44 WeakPolarHBondContact O-CG2 3.23Å; D41-V44 PolarHBondContact O-N 3.48Å; D41-V44 WeakPolarHBondContact OD2-CG2 3.38Å; R42-V44 VanDerWaalsContact C-N 3.31Å; V44-Y46 PolarHBondContact O-N 2.85Å; V44-Y46 VanDerWaalsContact O-N 3.13Å; V44-C47 PolarHBondContact O-N 3.35Å; V44-C47 VanDerWaalsContact O-N 3.12Å
45K81.4Confident78.2Confident178 Ų17897.4 Ų97.477%0.77447%0.471SS*.G310 helixtrans-59.6-26.9-178.7-171.8-179.6177.4-176.10113.2F43F43-K45 PolarHBondContact O-N 2.78Å
46Y81.5Confident79Confident114 Ų11494.4 Ų94.445%0.44746%0.455SS..G310 helixtrans-101.7-6.3-177.5-56.6-78000112.9R42 F43 V44 C187R42-Y46 WeakPolarHBondContact O-CD2 3.46Å; F43-Y46 PolarHBondContact O-N 2.87Å; V44-Y46 PolarHBondContact O-N 2.85Å; V44-Y46 VanDerWaalsContact O-N 3.13Å; Y46-C187 WeakPolarHBondContact O-CB 3.19Å; Y46-C187 PolarHBondContact O-N 3.42Å
47C81.9Confident79.7Confident22 Ų2290 Ų9015%0.14944%0.436CS..EExtended strand (participates in β ladder)trans-90.3122.8178.7-66.30000110.5F43 V44 R50F43-C47 WeakPolarHBondContact CD1-SG 3.2Å; F43-C47 WeakPolarHBondContact CE1-SG 3.42Å; F43-C47 PolarHBondContact O-N 3Å; F43-C47 PolarHBondContact O-SG 2.7Å; V44-C47 PolarHBondContact O-N 3.35Å; V44-C47 VanDerWaalsContact O-N 3.12Å; C47-R50 HydrophobicContact CB-CG 3.64Å
48K85.2Confident80.8Confident142 Ų14284.2 Ų84.262%0.61741%0.407SS*.EExtended strand (participates in β ladder)trans-72.7-43.7168.5-67.8-174.6172.8175.10111.3H185 C187K48-H185 PolarHBondContact N-O 3.03Å; K48-C187 HydrophobicContact CD-CB 4.3Å; K48-C187 WeakPolarHBondContact CE-SG 3.39Å; K48-C187 HydrophobicContact CG-CB 3.69Å
49D85.9Confident82.2Confident96 Ų9684.1 Ų84.151%0.51342%0.42SS..EExtended strand (participates in β ladder)trans-144148.1-178.6-177.651.5000110.5H185D49-H185 HydrophobicContact CB-CB 4.2Å; D49-H185 PolarHBondContact O-N 3.49Å
50R85.8Confident83.7Confident107 Ų10780.4 Ų80.440%0.40439%0.39SS..EExtended strand (participates in β ladder)trans-141.7123.9177.8-58.1-165.1-65.5173.64.4110D41 C47 A183 Y184D41-R50 IonicContact OD2-CZ 3.59Å; D41-R50 IonicContact OD2-NH1 3.74Å; D41-R50 PolarHBondContact OD2-NH1 3.01Å; C47-R50 HydrophobicContact CB-CG 3.64Å; R50-A183 WeakPolarHBondContact CA-O 3.36Å; R50-Y184 HydrophobicContact CB-CD1 4.36Å; R50-Y184 VanDerWaalsContact CD-CD1 3.45Å; R50-Y184 HydrophobicContact CG-CD1 3.68Å; R50-Y184 HydrophobicContact CG-CE1 4.17Å
51N86.7Confident85Confident78 Ų7874.2 Ų74.242%0.41736%0.36SS..EExtended strand (participates in β ladder)trans-117.3152170.671.623.1000111.1K182 A183N51-K182 VanDerWaalsContact O-CA 3.3Å; N51-K182 WeakPolarHBondContact O-CA 3.46Å; N51-A183 PolarHBondContact N-O 3.5Å; N51-A183 PolarHBondContact O-N 2.96Å; N51-A183 WeakPolarHBondContact OD1-CA 3.43Å; N51-A183 WeakPolarHBondContact OD1-CB 3.49Å; N51-A183 PolarHBondContact OD1-N 3.07Å; N51-A183 PolarHBondContact OD1-O 3.26Å
52N87.5Confident85.8Confident80 Ų8074.7 Ų74.743%0.42836%0.359SS..EExtended strand (participates in β ladder)trans-148.1116176-179.328000108.8T180 L181 K182N52-T180 WeakPolarHBondContact OD1-CB 3.41Å; N52-L181 WeakPolarHBondContact CA-O 3.08Å; N52-K182 HydrophobicContact CB-CG 3.87Å; N52-K182 VanDerWaalsContact CG-CE 3.45Å; N52-K182 WeakPolarHBondContact ND2-CE 3.41Å; N52-K182 WeakPolarHBondContact OD1-CE 3.33Å; N52-K182 WeakPolarHBondContact OD1-CG 3.45Å
53S92Very high86.3Confident16 Ų1667.3 Ų67.311%0.11234%0.337CS..EExtended strand (participates in β ladder)trans-115.7136178.2-60.50000110.4N111 I113 T180 L181S53-N111 PolarHBondContact OG-ND2 2.87Å; S53-I113 CarbonylContact C-O 3.53Å; S53-I113 VanDerWaalsContact CA-O 3.26Å; S53-I113 WeakPolarHBondContact CA-O 3.48Å; S53-I113 WeakPolarHBondContact CB-O 3.41Å; S53-T180 CarbonylContact O-C 3.56Å; S53-T180 WeakPolarHBondContact O-CA 3.43Å; S53-L181 PolarHBondContact N-O 2.96Å; S53-L181 PolarHBondContact O-N 2.98Å
54L92.9Very high86.8Confident22 Ų2264.5 Ų64.512%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-87.6133.4167.4-71.7155.2000108.7V27 Q112 I113 M178 L179 T180V27-L54 HydrophobicContact CG1-CD1 4.04Å; V27-L54 HydrophobicContact CG1-CD2 4.09Å; V27-L54 HydrophobicContact CG2-CD2 3.68Å; L54-Q112 PolarHBondContact O-N 2.8Å; L54-I113 HydrophobicContact CB-CB 4.03Å; L54-I113 HydrophobicContact CB-CD1 4.39Å; L54-I113 HydrophobicContact CB-CG1 4.48Å; L54-I113 HydrophobicContact CD1-CB 4.19Å; L54-I113 HydrophobicContact CD1-CD1 3.56Å; L54-I113 HydrophobicContact CD1-CG1 4.38Å; L54-I113 PolarHBondContact N-O 2.86Å; L54-I113 PolarHBondContact O-N 2.86Å; L54-I113 VanDerWaalsContact O-N 3.13Å; L54-M178 HydrophobicContact CD2-CG 4.06Å; L54-M178 HydrophobicContact CD2-SD 3.98Å; L54-L179 CarbonylContact C-O 3.58Å; L54-L179 WeakPolarHBondContact CA-O 3.22Å; L54-T180 HydrophobicContact CD2-CG2 3.2Å; L54-T180 HydrophobicContact CG-CG2 3.78Å
55M93.3Very high87Confident0 Ų064 Ų640%033%0.326CS..EExtended strand (participates in β ladder)trans-131.6156.8-173.6-49.5-173.6-58.900110.8L17 F109 F110 N111 N120 L179 L181L17-M55 HydrophobicContact CD1-CE 3.67Å; M55-F109 HydrophobicContact CB-CB 4.01Å; M55-F109 HydrophobicContact CE-CB 3.77Å; M55-F109 HydrophobicContact CE-CD2 3.96Å; M55-F109 HydrophobicContact CE-CG 3.83Å; M55-F109 HydrophobicContact SD-CB 3.86Å; M55-F110 VanDerWaalsContact CA-O 3.23Å; M55-F110 WeakPolarHBondContact CA-O 3.39Å; M55-F110 WeakPolarHBondContact CB-O 3.22Å; M55-N111 VanDerWaalsContact CG-OD1 3.23Å; M55-N111 WeakPolarHBondContact CG-OD1 3.28Å; M55-N111 PolarHBondContact SD-OD1 2.9Å; M55-N111 VanDerWaalsContact SD-OD1 3.32Å; M55-N120 HydrophobicContact SD-CB 4.18Å; M55-N120 PolarHBondContact SD-ND2 3Å; M55-L179 HydrophobicContact CE-CB 4.32Å; M55-L179 PolarHBondContact N-O 3.16Å; M55-L179 PolarHBondContact O-N 2.91Å; M55-L181 HydrophobicContact CE-CB 3.57Å; M55-L181 HydrophobicContact SD-CB 3.76Å; M55-L181 HydrophobicContact SD-CD2 4.3Å
56L92.3Very high86.7Confident55 Ų5556.8 Ų56.829%0.28830%0.302SS..EExtended strand (participates in β ladder)trans-112.3149.7165.9-65.5174.8000109.4F109 F110 Q112 M178L56-F109 CarbonylContact O-C 3.55Å; L56-F109 WeakPolarHBondContact O-CA 3.31Å; L56-F110 HydrophobicContact CB-CD1 4.46Å; L56-F110 HydrophobicContact CB-CE1 3.78Å; L56-F110 HydrophobicContact CB-CE2 4.09Å; L56-F110 HydrophobicContact CB-CZ 3.57Å; L56-F110 HydrophobicContact CD1-CE2 4.23Å; L56-F110 HydrophobicContact CD1-CZ 4.03Å; L56-F110 HydrophobicContact CG-CZ 4.41Å; L56-F110 PolarHBondContact N-O 2.93Å; L56-F110 WeakPolarHBondContact O-CD1 3.42Å; L56-F110 PolarHBondContact O-N 3.25Å; L56-Q112 HydrophobicContact CB-CG 4.41Å; L56-Q112 HydrophobicContact CD1-CG 3.58Å; L56-Q112 HydrophobicContact CG-CG 3.64Å; L56-M178 HydrophobicContact CD2-CB 4.18Å; L56-M178 HydrophobicContact CD2-CE 4.03Å
57S91.1Very high86.7Confident36 Ų3653 Ų5325%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-75.4139.4170.3-169.80000109.9
58F91Very high86.5Confident15 Ų1555.8 Ų55.87%0.06630%0.304CS..  trans-64.2143.2162.4-74.1-68.2000109.8F60 W61 M85 W88 A89 G108 F110 V119F58-F60 VanDerWaalsContact C-N 3.34Å; F58-F60 HydrophobicContact CB-CD1 4.17Å; F58-F60 HydrophobicContact CB-CE1 3.81Å; F58-F60 HydrophobicContact CB-CE2 4.21Å; F58-F60 HydrophobicContact CB-CG 4.5Å; F58-F60 HydrophobicContact CB-CZ 3.83Å; F58-F60 AromaticContact CD1-CE1 3.57Å; F58-F60 HydrophobicContact CD1-CE1 3.57Å; F58-F60 AromaticContact CD1-CZ 3.67Å; F58-F60 HydrophobicContact CD1-CZ 3.67Å; F58-F60 HydrophobicContact CD2-CZ 4.27Å; F58-F60 HydrophobicContact CE1-CE1 4.37Å; F58-F60 HydrophobicContact CE1-CZ 4.27Å; F58-F60 AromaticContact CG-CE1 3.86Å; F58-F60 HydrophobicContact CG-CE1 3.86Å; F58-F60 HydrophobicContact CG-CE2 4.36Å; F58-F60 AromaticContact CG-CZ 3.67Å; F58-F60 HydrophobicContact CG-CZ 3.67Å; F58-W61 HydrophobicContact CB-CG 4.22Å; F58-W61 AromaticContact CD2-NE1 3.89Å; F58-W61 PolarHBondContact O-N 2.89Å; F58-M85 HydrophobicContact CE1-SD 4.45Å; F58-M85 HydrophobicContact CZ-SD 3.98Å; F58-W88 HydrophobicContact CE1-CZ3 4.47Å; F58-W88 AromaticContact CE2-CZ3 3.91Å; F58-W88 HydrophobicContact CE2-CZ3 3.91Å; F58-W88 HydrophobicContact CZ-CE3 4.27Å; F58-W88 AromaticContact CZ-CZ3 3.7Å; F58-W88 HydrophobicContact CZ-CZ3 3.7Å; F58-A89 HydrophobicContact CD1-CB 4.34Å; F58-A89 HydrophobicContact CE1-CB 3.77Å; F58-G108 PolarHBondContact N-O 3.35Å; F58-F110 AromaticContact CD1-CD1 3.71Å; F58-F110 HydrophobicContact CD1-CD1 3.71Å; F58-F110 AromaticContact CD1-CE1 3.97Å; F58-F110 HydrophobicContact CD1-CE1 3.97Å; F58-F110 HydrophobicContact CD2-CD1 4.14Å; F58-F110 HydrophobicContact CE1-CB 4.33Å; F58-F110 AromaticContact CE1-CD1 3.55Å; F58-F110 HydrophobicContact CE1-CD1 3.55Å; F58-F110 HydrophobicContact CE1-CE1 4.13Å; F58-F110 HydrophobicContact CE1-CG 4.13Å; F58-F110 HydrophobicContact CE2-CB 4.06Å; F58-F110 AromaticContact CE2-CD1 3.99Å; F58-F110 HydrophobicContact CE2-CD1 3.99Å; F58-F110 HydrophobicContact CE2-CG 4.49Å; F58-F110 HydrophobicContact CG-CD1 4Å; F58-F110 HydrophobicContact CG-CE1 4.4Å; F58-F110 HydrophobicContact CZ-CB 3.73Å; F58-F110 AromaticContact CZ-CD1 3.7Å; F58-F110 HydrophobicContact CZ-CD1 3.7Å; F58-F110 HydrophobicContact CZ-CG 4.03Å; F58-V119 HydrophobicContact CE2-CG1 3.7Å; F58-V119 HydrophobicContact CE2-CG2 4.15Å; F58-V119 HydrophobicContact CZ-CG1 4.31Å; F58-V119 HydrophobicContact CZ-CG2 3.93Å
59S90.2Very high85.8Confident122 Ų12255.2 Ų55.285%0.85332%0.315SS*.THydrogen-bonded Turntrans-71.1-27.3-178.753.40000113.7W61S59-W61 VanDerWaalsContact C-N 3.31Å
60F90.1Very high85.6Confident36 Ų3659.4 Ų59.416%0.15833%0.329CS..THydrogen-bonded Turntrans-85.91.5-18055.3-96.2000113.9F58 A89 W92 I96 R100F58-F60 VanDerWaalsContact C-N 3.34Å; F58-F60 HydrophobicContact CB-CD1 4.17Å; F58-F60 HydrophobicContact CB-CE1 3.81Å; F58-F60 HydrophobicContact CB-CE2 4.21Å; F58-F60 HydrophobicContact CB-CG 4.5Å; F58-F60 HydrophobicContact CB-CZ 3.83Å; F58-F60 AromaticContact CD1-CE1 3.57Å; F58-F60 HydrophobicContact CD1-CE1 3.57Å; F58-F60 AromaticContact CD1-CZ 3.67Å; F58-F60 HydrophobicContact CD1-CZ 3.67Å; F58-F60 HydrophobicContact CD2-CZ 4.27Å; F58-F60 HydrophobicContact CE1-CE1 4.37Å; F58-F60 HydrophobicContact CE1-CZ 4.27Å; F58-F60 AromaticContact CG-CE1 3.86Å; F58-F60 HydrophobicContact CG-CE1 3.86Å; F58-F60 HydrophobicContact CG-CE2 4.36Å; F58-F60 AromaticContact CG-CZ 3.67Å; F58-F60 HydrophobicContact CG-CZ 3.67Å; F60-A89 HydrophobicContact CE1-CB 4.14Å; F60-A89 HydrophobicContact CZ-CB 4.26Å; F60-W92 HydrophobicContact CE2-CB 4.23Å; F60-W92 HydrophobicContact CZ-CB 4.36Å; F60-I96 HydrophobicContact CD2-CG2 4.21Å; F60-R100 PolarHBondContact O-NH2 2.81Å
61W89.4Confident85.8Confident16 Ų1656.1 Ų56.16%0.06132%0.318CS..SBendtrans-95.6150.9173.2-7573.1000111.3F58 S59 W92 I96 E105 G108 H121 W123F58-W61 HydrophobicContact CB-CG 4.22Å; F58-W61 AromaticContact CD2-NE1 3.89Å; F58-W61 PolarHBondContact O-N 2.89Å; S59-W61 VanDerWaalsContact C-N 3.31Å; W61-W92 HydrophobicContact CZ2-CE3 4.42Å; W61-I96 HydrophobicContact CE3-CD1 4.45Å; W61-I96 HydrophobicContact CH2-CD1 3.68Å; W61-I96 HydrophobicContact CZ2-CD1 3.92Å; W61-I96 HydrophobicContact CZ2-CG1 4.46Å; W61-I96 HydrophobicContact CZ3-CD1 3.97Å; W61-E105 HydrophobicContact CE3-CB 4.19Å; W61-E105 HydrophobicContact CZ3-CB 3.81Å; W61-G108 VanDerWaalsContact CD2-CA 3.46Å; W61-G108 VanDerWaalsContact CD2-N 3.3Å; W61-G108 VanDerWaalsContact CE3-N 3.28Å; W61-H121 AromaticContact CE2-NE2 4Å; W61-H121 HydrophobicContact CH2-CB 4.13Å; W61-H121 AromaticContact CH2-CD2 3.74Å; W61-H121 AromaticContact CH2-CG 3.73Å; W61-H121 AromaticContact CH2-ND1 3.99Å; W61-H121 AromaticContact CZ2-CD2 3.42Å; W61-H121 VanDerWaalsContact CZ2-CD2 3.42Å; W61-H121 WeakPolarHBondContact CZ2-CD2 3.37Å; W61-H121 AromaticContact CZ2-CE1 3.63Å; W61-H121 AromaticContact CZ2-CG 3.82Å; W61-H121 AromaticContact CZ2-ND1 3.93Å; W61-H121 AromaticContact CZ2-NE2 3.29Å; W61-H121 VanDerWaalsContact CZ2-NE2 3.29Å; W61-H121 WeakPolarHBondContact CZ2-NE2 3.47Å; W61-W123 AromaticContact CH2-CH2 3.52Å; W61-W123 HydrophobicContact CH2-CH2 3.52Å; W61-W123 AromaticContact CH2-CZ2 3.69Å; W61-W123 HydrophobicContact CH2-CZ2 3.69Å; W61-W123 HydrophobicContact CH2-CZ3 4.1Å; W61-W123 HydrophobicContact CZ3-CH2 4.08Å; W61-W123 HydrophobicContact CZ3-CZ2 4.45Å; W61-W123 HydrophobicContact CZ3-CZ3 4.19Å
62K83.4Confident85.9Confident81 Ų8153.4 Ų53.435%0.35230%0.303SS..PPolyproline II helixtrans-63151.6171.2-68.9177.6177.4166.30110D103 E105K62-D103 IonicContact NZ-OD1 2.88Å; K62-D103 PolarHBondContact NZ-OD1 2.81Å; K62-E105 HydrophobicContact CD-CG 4.16Å; K62-E105 WeakPolarHBondContact CD-OE1 3.31Å; K62-E105 WeakPolarHBondContact CE-OE1 3.3Å; K62-E105 IonicContact NZ-OE1 3.69Å; K62-E105 PolarHBondContact NZ-OE1 3.15Å
63T82.4Confident86.2Confident51 Ų5149.8 Ų49.831%0.31328%0.283SS..PPolyproline II helixtrans-64.3129.3170.4-660000108.8C65 A173T63-C65 PolarHBondContact O-N 2.95Å; T63-C65 VanDerWaalsContact O-N 3.14Å; T63-A173 HydrophobicContact CG2-CB 4.25Å
64P82.8Confident86.2Confident22 Ų2249.1 Ų49.114%0.14328%0.278CS..PPolyproline II helixtrans-58119.5180-24.533000112.2V106 F109P64-V106 VanDerWaalsContact CA-O 3.27Å; P64-V106 WeakPolarHBondContact CA-O 3.43Å; P64-V106 HydrophobicContact CB-CG1 4.34Å; P64-F109 HydrophobicContact CG-CE1 3.79Å; P64-F109 HydrophobicContact CG-CZ 3.53Å
65C79.6Confident86.1Confident56 Ų5648.8 Ų48.838%0.37828%0.277SS..  trans-118.2150.6172.859.80000110.2T63T63-C65 PolarHBondContact O-N 2.95Å; T63-C65 VanDerWaalsContact O-N 3.14Å
66G75.2Confident86Confident26 Ų2650.2 Ų50.227%0.26828%0.282SS..PPolyproline II helixtrans-61.6143.3171.900000111.8D169 S171G66-D169 VanDerWaalsContact CA-OD2 3.22Å; G66-D169 WeakPolarHBondContact CA-OD2 3.34Å; G66-S171 PolarHBondContact N-OG 2.83Å
67R83.2Confident85.9Confident34 Ų3448.7 Ų48.713%0.12828%0.276CS..PPolyproline II helixtrans-101.7156.1169.3-55.1-61.7-168.7161.9-0.3110.5H71 Y73 D103 E105 V106 A124R67-H71 HydrophobicContact CB-CB 4.12Å; R67-Y73 VanDerWaalsContact CB-OH 3.3Å; R67-Y73 WeakPolarHBondContact CB-OH 3.44Å; R67-Y73 HydrophobicContact CG-CE1 4.44Å; R67-Y73 PolarHBondContact N-OH 3.48Å; R67-D103 IonicContact CZ-OD1 3.55Å; R67-D103 IonicContact CZ-OD2 3.61Å; R67-D103 VanDerWaalsContact NH1-CG 3.27Å; R67-D103 IonicContact NH1-OD1 3.32Å; R67-D103 PolarHBondContact NH1-OD1 3.49Å; R67-D103 IonicContact NH1-OD2 2.7Å; R67-D103 PolarHBondContact NH1-OD2 2.76Å; R67-D103 PolarHBondContact NH2-O 2.97Å; R67-D103 IonicContact NH2-OD1 3.91Å; R67-D103 PolarHBondContact NH2-OD1 3.12Å; R67-D103 IonicContact NH2-OD2 3.18Å; R67-E105 PolarHBondContact NH2-O 2.73Å; R67-V106 HydrophobicContact CG-CG2 4.29Å; R67-A124 HydrophobicContact CB-CB 4.3Å; R67-A124 HydrophobicContact CG-CB 3.61Å
68P77.7Confident85.8Confident81 Ų8148 Ų4853%0.52627%0.268SS..PPolyproline II helixtrans-51.2146.2177.3-26.834.1000112.4K70 H71P68-K70 PolarHBondContact O-N 3.33Å; P68-H71 PolarHBondContact O-N 3.32Å; P68-H71 PolarHBondContact O-ND1 3.34Å
69P70.4Confident85.8Confident129 Ų12948 Ų4884%0.83827%0.272SS*.THydrogen-bonded Turntrans-61.3-8.2-165.420.1-32000116.2
70K81.3Confident85.8Confident185 Ų18542.7 Ų42.780%0.80423%0.233SC*.THydrogen-bonded Turntrans-84-7.1176.5-65.2-174.4179-179.20114.3P68P68-K70 PolarHBondContact O-N 3.33Å
71H88.7Confident85.6Confident37 Ų3748 Ų4817%0.17125%0.252CS..  trans-78.1138.4-175.2-71.864.2000112.5R67 P68 Y73 A124 Y125R67-H71 HydrophobicContact CB-CB 4.12Å; P68-H71 PolarHBondContact O-N 3.32Å; P68-H71 PolarHBondContact O-ND1 3.34Å; H71-Y73 HydrophobicContact CB-CE2 4.18Å; H71-A124 HydrophobicContact CB-CB 4.35Å; H71-Y125 CarbonylContact C-O 3.49Å; H71-Y125 WeakPolarHBondContact CA-O 3.33Å; H71-Y125 WeakPolarHBondContact CB-O 3.41Å
72I90.6Very high85.5Confident21 Ų2150.9 Ų50.911%0.10828%0.28CS..EExtended strand (participates in β ladder)trans-84.4143.6162.461.5169000109.3A124 Y125 L128 I163I72-A124 WeakPolarHBondContact O-CA 3.45Å; I72-Y125 WeakPolarHBondContact CG1-O 3.26Å; I72-Y125 PolarHBondContact N-O 3.07Å; I72-Y125 PolarHBondContact O-N 3.22Å; I72-L128 HydrophobicContact CD1-CD2 3.53Å; I72-L128 HydrophobicContact CD1-CG 3.89Å; I72-I163 HydrophobicContact CB-CG2 4.38Å; I72-I163 HydrophobicContact CD1-CG2 4.32Å
73Y91.8Very high85.6Confident5 Ų550.1 Ų50.12%0.0230%0.295CS..EExtended strand (participates in β ladder)trans-111.7130179.1-72.7-104.1000110.2W4 R67 H71 V106 I122 W123 A124 S164 L166W4-Y73 AromaticContact CD1-CD2 3.84Å; W4-Y73 AromaticContact CD1-CG 3.7Å; W4-Y73 HydrophobicContact CZ2-CD1 4.37Å; W4-Y73 HydrophobicContact CZ2-CE1 4.44Å; W4-Y73 AromaticContact NE1-CD1 3.43Å; W4-Y73 AromaticContact NE1-CD2 3.46Å; W4-Y73 AromaticContact NE1-CE1 3.89Å; W4-Y73 AromaticContact NE1-CE2 3.94Å; W4-Y73 AromaticContact NE1-CG 3.17Å; R67-Y73 VanDerWaalsContact CB-OH 3.3Å; R67-Y73 WeakPolarHBondContact CB-OH 3.44Å; R67-Y73 HydrophobicContact CG-CE1 4.44Å; R67-Y73 PolarHBondContact N-OH 3.48Å; H71-Y73 HydrophobicContact CB-CE2 4.18Å; Y73-V106 HydrophobicContact CD1-CG2 4.33Å; Y73-V106 HydrophobicContact CE1-CG2 4.03Å; Y73-I122 HydrophobicContact CD1-CG2 3.88Å; Y73-W123 CarbonylContact C-O 3.12Å; Y73-W123 VanDerWaalsContact CA-O 3.27Å; Y73-W123 WeakPolarHBondContact CA-O 3.35Å; Y73-A124 HydrophobicContact CD1-CB 4.14Å; Y73-A124 HydrophobicContact CE1-CB 4.03Å; Y73-S164 PolarHBondContact N-O 2.82Å; Y73-S164 PolarHBondContact O-N 3.23Å; Y73-S164 VanDerWaalsContact O-O 3.13Å; Y73-S164 PolarHBondContact O-OG 3.24Å; Y73-S164 VanDerWaalsContact O-OG 3.14Å; Y73-L166 HydrophobicContact CD2-CB 3.88Å; Y73-L166 HydrophobicContact CE2-CB 3.65Å; Y73-L166 HydrophobicContact CE2-CD1 4.4Å; Y73-L166 HydrophobicContact CE2-CD2 3.96Å; Y73-L166 HydrophobicContact CE2-CG 4.23Å
74E92.3Very high85.8Confident1 Ų148.2 Ų48.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-107.3118.1173.6-175.7-175.6-178.600109R76 W123 Y125 R131 S161 F162 I163E74-R76 HydrophobicContact CG-CG 3.88Å; E74-R76 WeakPolarHBondContact OE1-CD 3.48Å; E74-R76 IonicContact OE1-CZ 3.83Å; E74-R76 IonicContact OE1-NE 2.73Å; E74-R76 IonicContact OE1-NH1 2.73Å; E74-R76 PolarHBondContact OE1-NH1 2.96Å; E74-W123 HydrophobicContact CB-CB 4.3Å; E74-W123 PolarHBondContact N-O 2.79Å; E74-W123 PolarHBondContact O-N 2.94Å; E74-Y125 HydrophobicContact CB-CE2 4.06Å; E74-Y125 VanDerWaalsContact OE2-CE2 3.28Å; E74-Y125 WeakPolarHBondContact OE2-CE2 3.2Å; E74-R131 VanDerWaalsContact CD-NE 3.32Å; E74-R131 VanDerWaalsContact CD-NH2 3.33Å; E74-R131 IonicContact OE1-CZ 3.36Å; E74-R131 IonicContact OE1-NE 2.85Å; E74-R131 IonicContact OE1-NH2 3.68Å; E74-R131 PolarHBondContact OE1-NH2 3.25Å; E74-R131 IonicContact OE2-CZ 3.34Å; E74-R131 IonicContact OE2-NE 3.79Å; E74-R131 PolarHBondContact OE2-NE 2.64Å; E74-R131 IonicContact OE2-NH2 2.72Å; E74-R131 PolarHBondContact OE2-NH2 3.31Å; E74-S161 PolarHBondContact OE1-OG 3.11Å; E74-S161 VanDerWaalsContact OE1-OG 3.07Å; E74-F162 WeakPolarHBondContact CA-O 3.48Å; E74-I163 HydrophobicContact CB-CG1 4.42Å; E74-I163 HydrophobicContact CG-CG1 4.22Å
75L90.9Very high86.1Confident16 Ų1648.6 Ų48.68%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-95124.7169176.565.6000108.5V15 N120 H121 I122 S161 F162 L181V15-L75 HydrophobicContact CG1-CD2 4.09Å; V15-L75 HydrophobicContact CG2-CD2 4.46Å; L75-N120 HydrophobicContact CD1-CB 4.27Å; L75-H121 WeakPolarHBondContact CA-O 3.47Å; L75-I122 HydrophobicContact CD1-CG1 3.88Å; L75-S161 WeakPolarHBondContact O-CA 3.47Å; L75-F162 PolarHBondContact N-O 3.1Å; L75-F162 PolarHBondContact O-N 2.9Å; L75-L181 HydrophobicContact CD2-CD2 4.24Å
76R91Very high86.5Confident30 Ų3052 Ų5211%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-119.4123.3174.8-57.3-173.166.487.38.7109.4E74 Y78 N120 H121 N160 S161E74-R76 HydrophobicContact CG-CG 3.88Å; E74-R76 WeakPolarHBondContact OE1-CD 3.48Å; E74-R76 IonicContact OE1-CZ 3.83Å; E74-R76 IonicContact OE1-NE 2.73Å; E74-R76 IonicContact OE1-NH1 2.73Å; E74-R76 PolarHBondContact OE1-NH1 2.96Å; R76-Y78 HydrophobicContact CB-CE2 3.68Å; R76-Y78 PolarHBondContact NE-OH 2.79Å; R76-N120 CarbonylContact O-C 3.51Å; R76-N120 WeakPolarHBondContact O-CA 3.33Å; R76-H121 PolarHBondContact N-O 2.84Å; R76-H121 PolarHBondContact O-N 2.88Å; R76-N160 WeakPolarHBondContact CA-O 3Å; R76-S161 PolarHBondContact NH1-OG 3.4Å
77S90.8Very high87.1Confident23 Ų2355.9 Ų55.916%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-115.1128.5-179.9-58.60000109.4V119 N120 N160S77-V119 CarbonylContact C-O 3.56Å; S77-V119 VanDerWaalsContact CA-O 3.31Å; S77-V119 WeakPolarHBondContact CA-O 3.31Å; S77-N120 WeakPolarHBondContact CB-OD1 3.33Å; S77-N120 PolarHBondContact OG-OD1 2.92Å; S77-N160 PolarHBondContact N-O 2.92Å; S77-N160 PolarHBondContact O-N 3.31Å
78Y89.7Confident87.3Confident20 Ų2054.3 Ų54.38%0.07830%0.303CS..EExtended strand (participates in β ladder)trans-121.9114.2-175.1-62.2-82.5000109R76 L80 V118 V119 H121 L156 Q159R76-Y78 HydrophobicContact CB-CE2 3.68Å; R76-Y78 PolarHBondContact NE-OH 2.79Å; Y78-L80 PolarHBondContact O-N 3.3Å; Y78-V118 CarbonylContact O-C 3.53Å; Y78-V118 VanDerWaalsContact O-CA 3.31Å; Y78-V118 WeakPolarHBondContact O-CA 3.45Å; Y78-V119 PolarHBondContact N-O 3.22Å; Y78-V119 PolarHBondContact O-N 3.39Å; Y78-H121 AromaticContact CE2-ND1 3.74Å; Y78-L156 HydrophobicContact CD1-CD1 4.06Å; Y78-L156 HydrophobicContact CD1-CD2 3.96Å; Y78-L156 HydrophobicContact CE1-CD1 4.44Å; Y78-L156 HydrophobicContact CG-CD2 4.32Å; Y78-Q159 HydrophobicContact CD1-CB 4.27Å; Y78-Q159 HydrophobicContact CD1-CG 3.86Å; Y78-Q159 HydrophobicContact CE1-CB 4.45Å; Y78-Q159 HydrophobicContact CE1-CG 4.17Å
79A90.5Very high88Confident17 Ų1751 Ų5114%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-81.7114.7170.200000108.4V118 A157 E158A79-V118 HydrophobicContact CB-CG2 4.42Å; A79-A157 PolarHBondContact O-N 3.43Å; A79-E158 HydrophobicContact CB-CB 3.85Å; A79-E158 PolarHBondContact N-O 3.32Å; A79-E158 PolarHBondContact O-N 2.82Å
80L89.5Confident88.9Confident10 Ų1049 Ų495%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-89.1154.7177.3-49.3-171.9000110.5Y78 M85 W88 Y117 V119 F155 L156Y78-L80 PolarHBondContact O-N 3.3Å; L80-M85 HydrophobicContact CD1-CB 4.33Å; L80-M85 HydrophobicContact CD1-CE 3.8Å; L80-M85 HydrophobicContact CD1-SD 3.59Å; L80-M85 VanDerWaalsContact CD1-SD 3.59Å; L80-M85 HydrophobicContact CG-CE 4.45Å; L80-W88 HydrophobicContact CD1-CB 3.85Å; L80-W88 HydrophobicContact CD1-CD2 3.8Å; L80-W88 HydrophobicContact CD1-CE3 4.19Å; L80-W88 HydrophobicContact CD1-CG 3.62Å; L80-W88 HydrophobicContact CD2-CD2 4.29Å; L80-W88 HydrophobicContact CD2-CG 4.03Å; L80-Y117 VanDerWaalsContact CB-O 3.29Å; L80-Y117 WeakPolarHBondContact CB-O 2.89Å; L80-Y117 WeakPolarHBondContact CG-O 3.42Å; L80-Y117 PolarHBondContact N-O 3.27Å; L80-Y117 WeakPolarHBondContact O-CB 3.38Å; L80-V119 HydrophobicContact CD1-CG2 3.78Å; L80-V119 HydrophobicContact CG-CG2 4.2Å; L80-F155 CarbonylContact C-O 3.43Å; L80-F155 VanDerWaalsContact CA-O 3.25Å; L80-F155 WeakPolarHBondContact CA-O 3.43Å; L80-L156 HydrophobicContact CD2-CD2 3.37Å
81R87.1Confident89.2Confident146 Ų14641.8 Ų41.855%0.55124%0.235SC*.PPolyproline II helixtrans-63.7146.4167.5-68-176.2-175.6-162-0.8109.8G83 S84 S154 F155R81-G83 PolarHBondContact O-N 2.86Å; R81-S84 PolarHBondContact O-N 2.96Å; R81-S84 VanDerWaalsContact O-N 3.16Å; R81-S84 PolarHBondContact O-OG 3.47Å; R81-S154 WeakPolarHBondContact CD-O 3.27Å; R81-F155 PolarHBondContact N-O 2.83Å
82A85.8Confident89.3Confident78 Ų7840.4 Ų40.465%0.64523%0.228SC*.THydrogen-bonded Turntrans-56.4135.5177.100000110.5S84 Y117A82-S84 VanDerWaalsContact C-N 3.3Å; A82-S84 PolarHBondContact O-N 3.14Å; A82-Y117 HydrophobicContact CB-CD2 4.29Å; A82-Y117 HydrophobicContact CB-CE2 3.92Å
83G85.6Confident89.3Confident65 Ų6541.1 Ų41.167%0.6724%0.235SC*.THydrogen-bonded Turntrans82.4-11.4-179.500000116R81R81-G83 PolarHBondContact O-N 2.86Å
84S87.3Confident89.2Confident11 Ų1146.6 Ų46.68%0.07726%0.259CS..  trans-90.6-2.6-176.672.20000115.4R81 A82 L86 E87 W88R81-S84 PolarHBondContact O-N 2.96Å; R81-S84 VanDerWaalsContact O-N 3.16Å; R81-S84 PolarHBondContact O-OG 3.47Å; A82-S84 VanDerWaalsContact C-N 3.3Å; A82-S84 PolarHBondContact O-N 3.14Å; S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.04Å; S84-E87 PolarHBondContact O-N 2.96Å; S84-W88 WeakPolarHBondContact O-CB 3.09Å; S84-W88 PolarHBondContact O-N 3.22Å
85M88.2Confident89Confident30 Ų3046.6 Ų46.615%0.14826%0.259CS..Hα-helixtrans-57.8-42.2-174.7-179.767.27300112.8F58 L80 A89 F110 Y117 V119F58-M85 HydrophobicContact CE1-SD 4.45Å; F58-M85 HydrophobicContact CZ-SD 3.98Å; L80-M85 HydrophobicContact CD1-CB 4.33Å; L80-M85 HydrophobicContact CD1-CE 3.8Å; L80-M85 HydrophobicContact CD1-SD 3.59Å; L80-M85 VanDerWaalsContact CD1-SD 3.59Å; L80-M85 HydrophobicContact CG-CE 4.45Å; M85-A89 VanDerWaalsContact O-CB 3.24Å; M85-A89 WeakPolarHBondContact O-CB 3.48Å; M85-A89 PolarHBondContact O-N 3.28Å; M85-F110 HydrophobicContact CE-CB 4.01Å; M85-F110 HydrophobicContact SD-CB 4.1Å; M85-Y117 HydrophobicContact CB-CD1 4.43Å; M85-V119 HydrophobicContact CE-CG2 3.59Å; M85-V119 HydrophobicContact SD-CG2 3.43Å; M85-V119 WeakPolarHBondContact SD-CG2 3.1Å
86L87.9Confident88.9Confident127 Ų12745.9 Ų45.967%0.66526%0.255SS*.Hα-helixtrans-67.7-47.2-177.1-177.964000111.8S84 A89 N90S84-L86 VanDerWaalsContact C-N 3.33Å; S84-L86 PolarHBondContact O-N 3.04Å; L86-A89 PolarHBondContact O-N 2.87Å; L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 3.32Å; L86-N90 PolarHBondContact O-ND2 2.73Å
87E87.9Confident88.8Confident107 Ų10748.8 Ų48.850%0.527%0.27SS..Hα-helixtrans-64.3-43.4177.9-173.8177.7-179.800111.3S84 A89 N90 N91 F155S84-E87 PolarHBondContact O-N 2.96Å; E87-A89 VanDerWaalsContact C-N 3.32Å; E87-A89 PolarHBondContact O-N 2.96Å; E87-N90 PolarHBondContact O-N 2.92Å; E87-N91 PolarHBondContact O-N 3.21Å; E87-N91 VanDerWaalsContact O-N 3.07Å; E87-N91 PolarHBondContact O-ND2 2.77Å; E87-F155 HydrophobicContact CB-CZ 4.35Å; E87-F155 HydrophobicContact CG-CE1 4.47Å; E87-F155 HydrophobicContact CG-CE2 4.21Å; E87-F155 HydrophobicContact CG-CZ 3.77Å; E87-F155 WeakPolarHBondContact OE1-CZ 3.44Å; E87-F155 WeakPolarHBondContact OE2-CE1 3.34Å; E87-F155 VanDerWaalsContact OE2-CZ 3.28Å; E87-F155 WeakPolarHBondContact OE2-CZ 3.45Å
88W89.2Confident88.6Confident1 Ų152.3 Ų52.30%0.00428%0.28CS..Hα-helixtrans-57.3-45.8173.5-177.999.6000111.1F58 L80 S84 N91 W92 V119 H121 F155F58-W88 HydrophobicContact CE1-CZ3 4.47Å; F58-W88 AromaticContact CE2-CZ3 3.91Å; F58-W88 HydrophobicContact CE2-CZ3 3.91Å; F58-W88 HydrophobicContact CZ-CE3 4.27Å; F58-W88 AromaticContact CZ-CZ3 3.7Å; F58-W88 HydrophobicContact CZ-CZ3 3.7Å; L80-W88 HydrophobicContact CD1-CB 3.85Å; L80-W88 HydrophobicContact CD1-CD2 3.8Å; L80-W88 HydrophobicContact CD1-CE3 4.19Å; L80-W88 HydrophobicContact CD1-CG 3.62Å; L80-W88 HydrophobicContact CD2-CD2 4.29Å; L80-W88 HydrophobicContact CD2-CG 4.03Å; S84-W88 WeakPolarHBondContact O-CB 3.09Å; S84-W88 PolarHBondContact O-N 3.22Å; W88-N91 PolarHBondContact O-N 3.37Å; W88-W92 AromaticContact CD2-CD1 3.5Å; W88-W92 HydrophobicContact CD2-CG 4.28Å; W88-W92 AromaticContact CE2-CD1 3.1Å; W88-W92 AromaticContact CE2-CG 3.95Å; W88-W92 AromaticContact CE2-NE1 3.18Å; W88-W92 HydrophobicContact CE3-CB 4.41Å; W88-W92 AromaticContact CE3-CD1 3.95Å; W88-W92 HydrophobicContact CE3-CG 4.32Å; W88-W92 HydrophobicContact CH2-CB 3.96Å; W88-W92 AromaticContact CH2-CD1 3.48Å; W88-W92 VanDerWaalsContact CH2-CD1 3.48Å; W88-W92 AromaticContact CH2-CD2 3.83Å; W88-W92 HydrophobicContact CH2-CD2 3.83Å; W88-W92 AromaticContact CH2-CG 3.45Å; W88-W92 HydrophobicContact CH2-CG 3.45Å; W88-W92 VanDerWaalsContact CH2-CG 3.45Å; W88-W92 AromaticContact CH2-NE1 3.83Å; W88-W92 AromaticContact CZ2-CD1 3.14Å; W88-W92 AromaticContact CZ2-CD2 3.8Å; W88-W92 HydrophobicContact CZ2-CD2 3.8Å; W88-W92 AromaticContact CZ2-CE2 3.48Å; W88-W92 VanDerWaalsContact CZ2-CE2 3.48Å; W88-W92 AromaticContact CZ2-CG 3.58Å; W88-W92 HydrophobicContact CZ2-CG 3.58Å; W88-W92 HydrophobicContact CZ2-CZ2 4.25Å; W88-W92 AromaticContact CZ2-NE1 3.08Å; W88-W92 HydrophobicContact CZ3-CB 3.97Å; W88-W92 AromaticContact CZ3-CD1 3.92Å; W88-W92 AromaticContact CZ3-CG 3.9Å; W88-W92 HydrophobicContact CZ3-CG 3.9Å; W88-W92 AromaticContact NE1-CD1 3.55Å; W88-W92 AromaticContact NE1-NE1 3.33Å; W88-W92 WeakPolarHBondContact O-CB 3.44Å; W88-W92 PolarHBondContact O-N 3.26Å; W88-V119 HydrophobicContact CE3-CG2 4.05Å; W88-V119 HydrophobicContact CH2-CB 4.17Å; W88-V119 HydrophobicContact CH2-CG1 3.46Å; W88-V119 VanDerWaalsContact CH2-CG1 3.46Å; W88-V119 HydrophobicContact CH2-CG2 4.15Å; W88-V119 HydrophobicContact CZ2-CB 4.36Å; W88-V119 HydrophobicContact CZ2-CG1 3.98Å; W88-V119 HydrophobicContact CZ2-CG2 4.47Å; W88-V119 HydrophobicContact CZ3-CB 4.39Å; W88-V119 HydrophobicContact CZ3-CG1 3.87Å; W88-V119 HydrophobicContact CZ3-CG2 3.89Å; W88-H121 AromaticContact CH2-CE1 3.43Å; W88-H121 VanDerWaalsContact CH2-CE1 3.43Å; W88-H121 WeakPolarHBondContact CH2-CE1 3.13Å; W88-H121 AromaticContact CH2-NE2 3.33Å; W88-H121 VanDerWaalsContact CH2-NE2 3.33Å; W88-H121 WeakPolarHBondContact CH2-NE2 3.01Å; W88-H121 AromaticContact CZ2-CE1 3.72Å; W88-F155 HydrophobicContact CB-CD2 4.26Å
89A90.8Very high88.5Confident12 Ų1251.9 Ų51.910%0.09928%0.279CS..Hα-helixtrans-65.9-39179.700000112.3F58 F60 M85 L86 E87 N91 W92 S93F58-A89 HydrophobicContact CD1-CB 4.34Å; F58-A89 HydrophobicContact CE1-CB 3.77Å; F60-A89 HydrophobicContact CE1-CB 4.14Å; F60-A89 HydrophobicContact CZ-CB 4.26Å; M85-A89 VanDerWaalsContact O-CB 3.24Å; M85-A89 WeakPolarHBondContact O-CB 3.48Å; M85-A89 PolarHBondContact O-N 3.28Å; L86-A89 PolarHBondContact O-N 2.87Å; E87-A89 VanDerWaalsContact C-N 3.32Å; E87-A89 PolarHBondContact O-N 2.96Å; A89-N91 PolarHBondContact O-N 2.84Å; A89-W92 PolarHBondContact O-N 3.34Å; A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.36Å
90N89.3Confident88.4Confident86 Ų8654.9 Ų54.946%0.4629%0.287SS..Hα-helixtrans-61-45175.6-74.5-20.5000111.6L86 E87 S93L86-N90 VanDerWaalsContact O-CG 3.3Å; L86-N90 PolarHBondContact O-N 3.32Å; L86-N90 PolarHBondContact O-ND2 2.73Å; E87-N90 PolarHBondContact O-N 2.92Å; N90-S93 PolarHBondContact O-N 3.47Å; N90-S93 PolarHBondContact O-OG 2.92Å
91N88.2Confident88.2Confident34 Ų3461.6 Ų61.618%0.18232%0.317CS..Hα-helixtrans-66.8-42.8177-71.7-26.3000111.6E87 W88 A89 S93 K94 A95 T151E87-N91 PolarHBondContact O-N 3.21Å; E87-N91 VanDerWaalsContact O-N 3.07Å; E87-N91 PolarHBondContact O-ND2 2.77Å; W88-N91 PolarHBondContact O-N 3.37Å; A89-N91 PolarHBondContact O-N 2.84Å; N91-S93 VanDerWaalsContact C-N 3.33Å; N91-S93 PolarHBondContact O-N 3.37Å; N91-K94 PolarHBondContact O-N 2.81Å; N91-A95 PolarHBondContact O-N 3.01Å; N91-T151 HydrophobicContact CB-CG2 3.9Å
92W90.4Very high88.2Confident8 Ų856.5 Ų56.53%0.0331%0.307CS..Hα-helixtrans-66.9-30.9178-91.787.3000114.1F60 W61 W88 A89 K94 A95 I96 H121 W123 W144 V148F60-W92 HydrophobicContact CE2-CB 4.23Å; F60-W92 HydrophobicContact CZ-CB 4.36Å; W61-W92 HydrophobicContact CZ2-CE3 4.42Å; W88-W92 AromaticContact CD2-CD1 3.5Å; W88-W92 HydrophobicContact CD2-CG 4.28Å; W88-W92 AromaticContact CE2-CD1 3.1Å; W88-W92 AromaticContact CE2-CG 3.95Å; W88-W92 AromaticContact CE2-NE1 3.18Å; W88-W92 HydrophobicContact CE3-CB 4.41Å; W88-W92 AromaticContact CE3-CD1 3.95Å; W88-W92 HydrophobicContact CE3-CG 4.32Å; W88-W92 HydrophobicContact CH2-CB 3.96Å; W88-W92 AromaticContact CH2-CD1 3.48Å; W88-W92 VanDerWaalsContact CH2-CD1 3.48Å; W88-W92 AromaticContact CH2-CD2 3.83Å; W88-W92 HydrophobicContact CH2-CD2 3.83Å; W88-W92 AromaticContact CH2-CG 3.45Å; W88-W92 HydrophobicContact CH2-CG 3.45Å; W88-W92 VanDerWaalsContact CH2-CG 3.45Å; W88-W92 AromaticContact CH2-NE1 3.83Å; W88-W92 AromaticContact CZ2-CD1 3.14Å; W88-W92 AromaticContact CZ2-CD2 3.8Å; W88-W92 HydrophobicContact CZ2-CD2 3.8Å; W88-W92 AromaticContact CZ2-CE2 3.48Å; W88-W92 VanDerWaalsContact CZ2-CE2 3.48Å; W88-W92 AromaticContact CZ2-CG 3.58Å; W88-W92 HydrophobicContact CZ2-CG 3.58Å; W88-W92 HydrophobicContact CZ2-CZ2 4.25Å; W88-W92 AromaticContact CZ2-NE1 3.08Å; W88-W92 HydrophobicContact CZ3-CB 3.97Å; W88-W92 AromaticContact CZ3-CD1 3.92Å; W88-W92 AromaticContact CZ3-CG 3.9Å; W88-W92 HydrophobicContact CZ3-CG 3.9Å; W88-W92 AromaticContact NE1-CD1 3.55Å; W88-W92 AromaticContact NE1-NE1 3.33Å; W88-W92 WeakPolarHBondContact O-CB 3.44Å; W88-W92 PolarHBondContact O-N 3.26Å; A89-W92 PolarHBondContact O-N 3.34Å; W92-K94 PolarHBondContact O-N 2.62Å; W92-A95 PolarHBondContact O-N 3.17Å; W92-I96 WeakPolarHBondContact O-CB 3.4Å; W92-I96 WeakPolarHBondContact O-CG2 3.32Å; W92-I96 PolarHBondContact O-N 2.77Å; W92-H121 AromaticContact CD2-CE1 3.99Å; W92-H121 AromaticContact CE3-CE1 3.82Å; W92-H121 AromaticContact CH2-CE1 3.84Å; W92-H121 AromaticContact CH2-ND1 3.97Å; W92-H121 AromaticContact CZ3-CE1 3.75Å; W92-W123 HydrophobicContact CH2-CZ2 4.47Å; W92-W123 HydrophobicContact CZ3-CH2 4.32Å; W92-W123 HydrophobicContact CZ3-CZ2 4.26Å; W92-W144 AromaticContact CH2-CH2 3.7Å; W92-W144 HydrophobicContact CH2-CH2 3.7Å; W92-W144 HydrophobicContact CH2-CZ2 4.46Å; W92-W144 HydrophobicContact CZ2-CH2 4.42Å; W92-W144 AromaticContact CZ3-CH2 3.81Å; W92-W144 HydrophobicContact CZ3-CH2 3.81Å; W92-W144 HydrophobicContact CZ3-CZ3 4.36Å; W92-V148 HydrophobicContact CZ2-CG1 4.25Å
93S91.1Very high88.3Confident36 Ų3656.4 Ų56.425%0.25230%0.295SS..Hα-helixtrans-60.7-30.417576.40000112.8A89 N90 N91A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.36Å; N90-S93 PolarHBondContact O-N 3.47Å; N90-S93 PolarHBondContact O-OG 2.92Å; N91-S93 VanDerWaalsContact C-N 3.33Å; N91-S93 PolarHBondContact O-N 3.37Å
94K89.4Confident88.5Confident121 Ų12153.4 Ų53.453%0.52626%0.264SS..Hα-helixtrans-84.8-43174-59173.1-173172.40111.2N91 W92 I96 E97 Y98N91-K94 PolarHBondContact O-N 2.81Å; W92-K94 PolarHBondContact O-N 2.62Å; K94-I96 VanDerWaalsContact C-N 3.31Å; K94-I96 PolarHBondContact O-N 3.46Å; K94-E97 PolarHBondContact O-N 2.84Å; K94-Y98 WeakPolarHBondContact O-CD2 3.3Å; K94-Y98 WeakPolarHBondContact O-CE2 3.43Å
95A87.9Confident88.6Confident0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-61.9-37.8-177.200000112.8N91 W92 E97 Y98 W144 N147 V148N91-A95 PolarHBondContact O-N 3.01Å; W92-A95 PolarHBondContact O-N 3.17Å; A95-E97 PolarHBondContact O-N 3.02Å; A95-Y98 PolarHBondContact O-N 3.22Å; A95-W144 HydrophobicContact CB-CE3 4.06Å; A95-W144 HydrophobicContact CB-CH2 4.48Å; A95-W144 HydrophobicContact CB-CZ3 3.7Å; A95-W144 WeakPolarHBondContact O-CZ3 3.49Å; A95-N147 HydrophobicContact CB-CB 3.75Å; A95-V148 HydrophobicContact CB-CG2 3.52Å
96I89.4Confident88.7Confident1 Ų152 Ų521%0.00526%0.256CS..G310 helixtrans-64-28.4-175.8-164.260.9000112.3F60 W61 W92 K94 Y98 R99 R100 E105 W123F60-I96 HydrophobicContact CD2-CG2 4.21Å; W61-I96 HydrophobicContact CE3-CD1 4.45Å; W61-I96 HydrophobicContact CH2-CD1 3.68Å; W61-I96 HydrophobicContact CZ2-CD1 3.92Å; W61-I96 HydrophobicContact CZ2-CG1 4.46Å; W61-I96 HydrophobicContact CZ3-CD1 3.97Å; W92-I96 WeakPolarHBondContact O-CB 3.4Å; W92-I96 WeakPolarHBondContact O-CG2 3.32Å; W92-I96 PolarHBondContact O-N 2.77Å; K94-I96 VanDerWaalsContact C-N 3.31Å; K94-I96 PolarHBondContact O-N 3.46Å; I96-Y98 VanDerWaalsContact C-N 3.3Å; I96-Y98 PolarHBondContact O-N 2.82Å; I96-R99 HydrophobicContact CD1-CB 4.25Å; I96-R99 WeakPolarHBondContact O-CA 3.29Å; I96-R99 WeakPolarHBondContact O-CB 3.42Å; I96-R99 PolarHBondContact O-N 2.89Å; I96-R100 WeakPolarHBondContact O-CG 3.42Å; I96-R100 PolarHBondContact O-N 3.06Å; I96-E105 HydrophobicContact CD1-CB 4.47Å; I96-W123 HydrophobicContact CD1-CH2 3.7Å; I96-W123 HydrophobicContact CD1-CZ3 4.02Å
97E89.1Confident88.8Confident91 Ų9145.9 Ų45.943%0.42522%0.224SC..G310 helixtrans-60.7-39.1179.5-60.5-57.3147.700111.9K94 A95 R99 R100K94-E97 PolarHBondContact O-N 2.84Å; A95-E97 PolarHBondContact O-N 3.02Å; E97-R99 PolarHBondContact O-N 2.82Å; E97-R99 VanDerWaalsContact O-N 3.15Å; E97-R100 PolarHBondContact O-N 3.32Å; E97-R100 IonicContact OE1-CZ 2.76Å; E97-R100 IonicContact OE1-NE 2.66Å; E97-R100 IonicContact OE1-NH1 2.83Å; E97-R100 PolarHBondContact OE1-NH1 3.13Å; E97-R100 IonicContact OE1-NH2 3.6Å; E97-R100 PolarHBondContact OE1-NH2 3.19Å; E97-R100 WeakPolarHBondContact OE2-CD 3.5Å; E97-R100 IonicContact OE2-CZ 2.76Å; E97-R100 IonicContact OE2-NE 3.61Å; E97-R100 PolarHBondContact OE2-NE 3.49Å; E97-R100 IonicContact OE2-NH1 2.81Å; E97-R100 PolarHBondContact OE2-NH1 2.87Å; E97-R100 IonicContact OE2-NH2 3.94Å
98Y86.7Confident88.9Confident97 Ų9740.8 Ų40.838%0.3820%0.201SC..G310 helixtrans-65.8-16.4175.9-60.1-80.7000113.6K94 A95 I96 T141 P142K94-Y98 WeakPolarHBondContact O-CD2 3.3Å; K94-Y98 WeakPolarHBondContact O-CE2 3.43Å; A95-Y98 PolarHBondContact O-N 3.22Å; I96-Y98 VanDerWaalsContact C-N 3.3Å; I96-Y98 PolarHBondContact O-N 2.82Å; Y98-T141 HydrophobicContact CD1-CG2 3.76Å; Y98-T141 HydrophobicContact CG-CG2 4.37Å; Y98-P142 WeakPolarHBondContact CE1-O 3.44Å
99R87.3Confident89.1Confident11 Ų1140.8 Ų40.84%0.04220%0.201CC..G310 helixtrans-95.9-21.7-178.8-92-172.4-174.5-112-9.6112.9I96 E97 E101 A102 Q104 T138 W144I96-R99 HydrophobicContact CD1-CB 4.25Å; I96-R99 WeakPolarHBondContact O-CA 3.29Å; I96-R99 WeakPolarHBondContact O-CB 3.42Å; I96-R99 PolarHBondContact O-N 2.89Å; E97-R99 PolarHBondContact O-N 2.82Å; E97-R99 VanDerWaalsContact O-N 3.15Å; R99-E101 PolarHBondContact O-N 3.42Å; R99-A102 PolarHBondContact O-N 2.88Å; R99-Q104 VanDerWaalsContact CB-NE2 3.26Å; R99-Q104 PolarHBondContact O-NE2 2.97Å; R99-Q104 PolarHBondContact O-OE1 2.88Å; R99-T138 HydrophobicContact CG-CG2 3.61Å; R99-W144 VanDerWaalsContact CD-CZ3 3.5Å; R99-W144 HydrophobicContact CG-CE3 4.13Å; R99-W144 HydrophobicContact CG-CH2 4.34Å; R99-W144 HydrophobicContact CG-CZ3 3.82Å
100R87.8Confident89.2Confident81 Ų8142.2 Ų42.231%0.30620%0.204SC..G310 helixtrans-64.6-24.2-171.7-70.1-173.7178166.52.9114.3F60 I96 E97 A102 D103F60-R100 PolarHBondContact O-NH2 2.81Å; I96-R100 WeakPolarHBondContact O-CG 3.42Å; I96-R100 PolarHBondContact O-N 3.06Å; E97-R100 PolarHBondContact O-N 3.32Å; E97-R100 IonicContact OE1-CZ 2.76Å; E97-R100 IonicContact OE1-NE 2.66Å; E97-R100 IonicContact OE1-NH1 2.83Å; E97-R100 PolarHBondContact OE1-NH1 3.13Å; E97-R100 IonicContact OE1-NH2 3.6Å; E97-R100 PolarHBondContact OE1-NH2 3.19Å; E97-R100 WeakPolarHBondContact OE2-CD 3.5Å; E97-R100 IonicContact OE2-CZ 2.76Å; E97-R100 IonicContact OE2-NE 3.61Å; E97-R100 PolarHBondContact OE2-NE 3.49Å; E97-R100 IonicContact OE2-NH1 2.81Å; E97-R100 PolarHBondContact OE2-NH1 2.87Å; E97-R100 IonicContact OE2-NH2 3.94Å; R100-A102 PolarHBondContact O-N 2.92Å; R100-D103 PolarHBondContact O-N 3.12Å; R100-D103 VanDerWaalsContact O-N 3.14Å
101E85.8Confident89.3Confident150 Ų15038.5 Ų38.570%0.70119%0.185SC*.G310 helixtrans-58.5-35.2-179.3-168.5-163.5144.200112.3R99 K137R99-E101 PolarHBondContact O-N 3.42Å; E101-K137 IonicContact OE1-NZ 2.78Å; E101-K137 PolarHBondContact OE1-NZ 2.73Å; E101-K137 IonicContact OE2-NZ 3.45Å
102A86.9Confident89.5Confident39 Ų3940.6 Ų40.632%0.32219%0.193SC..G310 helixtrans-91.73.1-178.200000113.8R99 R100 Q104 I134R99-A102 PolarHBondContact O-N 2.88Å; R100-A102 PolarHBondContact O-N 2.92Å; A102-Q104 PolarHBondContact O-N 2.85Å; A102-Q104 PolarHBondContact O-OE1 2.83Å; A102-I134 HydrophobicContact CB-CD1 4.33Å; A102-I134 HydrophobicContact CB-CG1 4.19Å; A102-I134 HydrophobicContact CB-CG2 3.79Å
103D87.8Confident89.5Confident76 Ų7644.2 Ų44.241%0.40621%0.212SC..THydrogen-bonded Turntrans4929174.1-166.136.1000115.5K62 R67 R100K62-D103 IonicContact NZ-OD1 2.88Å; K62-D103 PolarHBondContact NZ-OD1 2.81Å; R67-D103 IonicContact CZ-OD1 3.55Å; R67-D103 IonicContact CZ-OD2 3.61Å; R67-D103 VanDerWaalsContact NH1-CG 3.27Å; R67-D103 IonicContact NH1-OD1 3.32Å; R67-D103 PolarHBondContact NH1-OD1 3.49Å; R67-D103 IonicContact NH1-OD2 2.7Å; R67-D103 PolarHBondContact NH1-OD2 2.76Å; R67-D103 PolarHBondContact NH2-O 2.97Å; R67-D103 IonicContact NH2-OD1 3.91Å; R67-D103 PolarHBondContact NH2-OD1 3.12Å; R67-D103 IonicContact NH2-OD2 3.18Å; R100-D103 PolarHBondContact O-N 3.12Å; R100-D103 VanDerWaalsContact O-N 3.14Å
104Q89.2Confident89.5Confident3 Ų344.7 Ų44.71%0.01422%0.223CC..  trans-81.6-16.9178.670.4-74.3-17.500113.4R99 A102 W123 A124 Y125 I134R99-Q104 VanDerWaalsContact CB-NE2 3.26Å; R99-Q104 PolarHBondContact O-NE2 2.97Å; R99-Q104 PolarHBondContact O-OE1 2.88Å; A102-Q104 PolarHBondContact O-N 2.85Å; A102-Q104 PolarHBondContact O-OE1 2.83Å; Q104-W123 HydrophobicContact CG-CE3 3.66Å; Q104-W123 HydrophobicContact CG-CZ3 4.06Å; Q104-W123 CarbonylContact O-C 3.48Å; Q104-W123 VanDerWaalsContact O-CA 3.26Å; Q104-W123 WeakPolarHBondContact O-CA 3.35Å; Q104-A124 WeakPolarHBondContact CA-O 3.34Å; Q104-A124 WeakPolarHBondContact CB-O 3.47Å; Q104-A124 PolarHBondContact O-N 3.31Å; Q104-Y125 HydrophobicContact CB-CD1 4.04Å; Q104-Y125 HydrophobicContact CB-CE1 3.7Å; Q104-Y125 HydrophobicContact CG-CE1 3.97Å; Q104-I134 HydrophobicContact CG-CG2 4.46Å
105E90.5Very high89.4Confident2 Ų244.7 Ų44.71%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-72130-177.970.1-74.1-179.800111.8W61 K62 R67 I96 W123W61-E105 HydrophobicContact CE3-CB 4.19Å; W61-E105 HydrophobicContact CZ3-CB 3.81Å; K62-E105 HydrophobicContact CD-CG 4.16Å; K62-E105 WeakPolarHBondContact CD-OE1 3.31Å; K62-E105 WeakPolarHBondContact CE-OE1 3.3Å; K62-E105 IonicContact NZ-OE1 3.69Å; K62-E105 PolarHBondContact NZ-OE1 3.15Å; R67-E105 PolarHBondContact NH2-O 2.73Å; I96-E105 HydrophobicContact CD1-CB 4.47Å; E105-W123 HydrophobicContact CB-CE3 4.1Å; E105-W123 HydrophobicContact CB-CZ3 3.81Å
106V89.4Confident89.5Confident8 Ų849.3 Ų49.35%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-106.7-47.7173.3-179.70000109.8P64 R67 Y73 I122 A124P64-V106 VanDerWaalsContact CA-O 3.27Å; P64-V106 WeakPolarHBondContact CA-O 3.43Å; P64-V106 HydrophobicContact CB-CG1 4.34Å; R67-V106 HydrophobicContact CG-CG2 4.29Å; Y73-V106 HydrophobicContact CD1-CG2 4.33Å; Y73-V106 HydrophobicContact CE1-CG2 4.03Å; V106-I122 HydrophobicContact CB-CB 4.09Å; V106-I122 HydrophobicContact CB-CG2 3.82Å; V106-I122 WeakPolarHBondContact CB-O 3.32Å; V106-I122 HydrophobicContact CG1-CB 4.46Å; V106-I122 HydrophobicContact CG1-CG2 4.06Å; V106-I122 HydrophobicContact CG2-CG2 4.18Å; V106-I122 PolarHBondContact N-O 2.97Å; V106-A124 HydrophobicContact CG2-CB 3.56Å
107G90Very high89.5Confident0 Ų054 Ų540%027%0.267CS..EExtended strand (participates in β ladder)trans-177153.8179.300000113.1I122G107-I122 PolarHBondContact N-O 3.3Å; G107-I122 PolarHBondContact O-N 3.36Å
108G91.5Very high89.7Confident0 Ų050 Ų500%025%0.25CC..EExtended strand (participates in β ladder)trans-129.3132.1177.200000110.8F58 W61 N120F58-G108 PolarHBondContact N-O 3.35Å; W61-G108 VanDerWaalsContact CD2-CA 3.46Å; W61-G108 VanDerWaalsContact CD2-N 3.3Å; W61-G108 VanDerWaalsContact CE3-N 3.28Å; G108-N120 WeakPolarHBondContact CA-O 3.3Å
109F92.9Very high89.9Confident1 Ų145.4 Ų45.40%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-136155.2-171.1-41.8-76.3000111L17 M55 L56 P64 V119 N120 I122 L179L17-F109 HydrophobicContact CD2-CE2 4.3Å; L17-F109 HydrophobicContact CD2-CZ 4.14Å; M55-F109 HydrophobicContact CB-CB 4.01Å; M55-F109 HydrophobicContact CE-CB 3.77Å; M55-F109 HydrophobicContact CE-CD2 3.96Å; M55-F109 HydrophobicContact CE-CG 3.83Å; M55-F109 HydrophobicContact SD-CB 3.86Å; L56-F109 CarbonylContact O-C 3.55Å; L56-F109 WeakPolarHBondContact O-CA 3.31Å; P64-F109 HydrophobicContact CG-CE1 3.79Å; P64-F109 HydrophobicContact CG-CZ 3.53Å; F109-V119 CarbonylContact O-C 3.57Å; F109-V119 WeakPolarHBondContact O-CA 3.15Å; F109-N120 PolarHBondContact N-O 3.27Å; F109-N120 PolarHBondContact O-N 3.27Å; F109-I122 HydrophobicContact CE2-CD1 3.75Å; F109-I122 HydrophobicContact CE2-CG1 4.03Å; F109-L179 HydrophobicContact CD1-CD1 3.85Å; F109-L179 HydrophobicContact CD1-CD2 3.77Å; F109-L179 HydrophobicContact CD1-CG 4.44Å; F109-L179 HydrophobicContact CE1-CD1 3.96Å; F109-L179 HydrophobicContact CE1-CD2 3.3Å; F109-L179 HydrophobicContact CE1-CG 4.32Å; F109-L179 HydrophobicContact CZ-CD2 3.78Å
110F92.4Very high90.1Very high41 Ų4145.1 Ų45.118%0.1823%0.231CC..EExtended strand (participates in β ladder)trans-128.8141.5171.459.7-79.7000110.3M55 L56 F58 M85 Q112 V118 V119M55-F110 VanDerWaalsContact CA-O 3.23Å; M55-F110 WeakPolarHBondContact CA-O 3.39Å; M55-F110 WeakPolarHBondContact CB-O 3.22Å; L56-F110 HydrophobicContact CB-CD1 4.46Å; L56-F110 HydrophobicContact CB-CE1 3.78Å; L56-F110 HydrophobicContact CB-CE2 4.09Å; L56-F110 HydrophobicContact CB-CZ 3.57Å; L56-F110 HydrophobicContact CD1-CE2 4.23Å; L56-F110 HydrophobicContact CD1-CZ 4.03Å; L56-F110 HydrophobicContact CG-CZ 4.41Å; L56-F110 PolarHBondContact N-O 2.93Å; L56-F110 WeakPolarHBondContact O-CD1 3.42Å; L56-F110 PolarHBondContact O-N 3.25Å; F58-F110 AromaticContact CD1-CD1 3.71Å; F58-F110 HydrophobicContact CD1-CD1 3.71Å; F58-F110 AromaticContact CD1-CE1 3.97Å; F58-F110 HydrophobicContact CD1-CE1 3.97Å; F58-F110 HydrophobicContact CD2-CD1 4.14Å; F58-F110 HydrophobicContact CE1-CB 4.33Å; F58-F110 AromaticContact CE1-CD1 3.55Å; F58-F110 HydrophobicContact CE1-CD1 3.55Å; F58-F110 HydrophobicContact CE1-CE1 4.13Å; F58-F110 HydrophobicContact CE1-CG 4.13Å; F58-F110 HydrophobicContact CE2-CB 4.06Å; F58-F110 AromaticContact CE2-CD1 3.99Å; F58-F110 HydrophobicContact CE2-CD1 3.99Å; F58-F110 HydrophobicContact CE2-CG 4.49Å; F58-F110 HydrophobicContact CG-CD1 4Å; F58-F110 HydrophobicContact CG-CE1 4.4Å; F58-F110 HydrophobicContact CZ-CB 3.73Å; F58-F110 AromaticContact CZ-CD1 3.7Å; F58-F110 HydrophobicContact CZ-CD1 3.7Å; F58-F110 HydrophobicContact CZ-CG 4.03Å; M85-F110 HydrophobicContact CE-CB 4.01Å; M85-F110 HydrophobicContact SD-CB 4.1Å; F110-Q112 HydrophobicContact CE2-CG 4.43Å; F110-V118 WeakPolarHBondContact CA-O 3.1Å; F110-V119 HydrophobicContact CB-CG2 4.42Å
111N92.5Very high90.3Very high9 Ų941.3 Ų41.35%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-70.9133.2-178.1-72.58.4000111S53 M55 Q115 V118 N120S53-N111 PolarHBondContact OG-ND2 2.87Å; M55-N111 VanDerWaalsContact CG-OD1 3.23Å; M55-N111 WeakPolarHBondContact CG-OD1 3.28Å; M55-N111 PolarHBondContact SD-OD1 2.9Å; M55-N111 VanDerWaalsContact SD-OD1 3.32Å; N111-Q115 WeakPolarHBondContact CB-O 3.2Å; N111-Q115 PolarHBondContact ND2-O 3.02Å; N111-V118 HydrophobicContact CB-CB 4.45Å; N111-V118 PolarHBondContact N-O 2.89Å; N111-N120 PolarHBondContact OD1-ND2 2.92Å
112Q91.7Very high90.6Very high77 Ų7734.6 Ų34.636%0.3619%0.185SC..EExtended strand (participates in β ladder)trans-104.2-36.6169.3-74-61.5-73.400112L54 L56 F110 L116L54-Q112 PolarHBondContact O-N 2.8Å; L56-Q112 HydrophobicContact CB-CG 4.41Å; L56-Q112 HydrophobicContact CD1-CG 3.58Å; L56-Q112 HydrophobicContact CG-CG 3.64Å; F110-Q112 HydrophobicContact CE2-CG 4.43Å; Q112-L116 VanDerWaalsContact O-CD2 3.26Å; Q112-L116 WeakPolarHBondContact O-CD2 3.27Å
113I90.4Very high90.8Very high84 Ų8432.8 Ų32.843%0.43117%0.17SC..EExtended strand (participates in β ladder)trans-134.5138.8178.3-57.4166.6000107.8Y24 S53 L54Y24-I113 HydrophobicContact CE1-CD1 4.01Å; S53-I113 CarbonylContact C-O 3.53Å; S53-I113 VanDerWaalsContact CA-O 3.26Å; S53-I113 WeakPolarHBondContact CA-O 3.48Å; S53-I113 WeakPolarHBondContact CB-O 3.41Å; L54-I113 HydrophobicContact CB-CB 4.03Å; L54-I113 HydrophobicContact CB-CD1 4.39Å; L54-I113 HydrophobicContact CB-CG1 4.48Å; L54-I113 HydrophobicContact CD1-CB 4.19Å; L54-I113 HydrophobicContact CD1-CD1 3.56Å; L54-I113 HydrophobicContact CD1-CG1 4.38Å; L54-I113 PolarHBondContact N-O 2.86Å; L54-I113 PolarHBondContact O-N 2.86Å; L54-I113 VanDerWaalsContact O-N 3.13Å
114G90Very high91Very high46 Ų4629.4 Ų29.447%0.47415%0.152SC..SBendtrans108.5-140.1-168.100000110.2L116G114-L116 PolarHBondContact O-N 3.25Å; G114-L116 VanDerWaalsContact O-N 3.17Å
115Q88.1Confident91.2Very high122 Ų12229.4 Ų29.457%0.5715%0.152SC*.SBendtrans-73.3107.9175.1-165.3179.59.700109.9N111 V118N111-Q115 WeakPolarHBondContact CB-O 3.2Å; N111-Q115 PolarHBondContact ND2-O 3.02Å; Q115-V118 HydrophobicContact CB-CG2 3.94Å; Q115-V118 HydrophobicContact CG-CG2 3.61Å
116L89.9Confident91.2Very high96 Ų9635.4 Ų35.450%0.50318%0.18SC..THydrogen-bonded Turntrans-69.9161.4-179.4-60.2-178.1000111.8Q112 G114 V118Q112-L116 VanDerWaalsContact O-CD2 3.26Å; Q112-L116 WeakPolarHBondContact O-CD2 3.27Å; G114-L116 PolarHBondContact O-N 3.25Å; G114-L116 VanDerWaalsContact O-N 3.17Å; L116-V118 PolarHBondContact O-N 3.22Å; L116-V118 VanDerWaalsContact O-N 3.13Å
117Y90.4Very high91.2Very high100 Ų10038.4 Ų38.439%0.39220%0.196SC..THydrogen-bonded Turntrans5918.6-178.2-52.6-76.2000114.5L80 A82 M85L80-Y117 VanDerWaalsContact CB-O 3.29Å; L80-Y117 WeakPolarHBondContact CB-O 2.89Å; L80-Y117 WeakPolarHBondContact CG-O 3.42Å; L80-Y117 PolarHBondContact N-O 3.27Å; L80-Y117 WeakPolarHBondContact O-CB 3.38Å; A82-Y117 HydrophobicContact CB-CD2 4.29Å; A82-Y117 HydrophobicContact CB-CE2 3.92Å; M85-Y117 HydrophobicContact CB-CD1 4.43Å
118V91.7Very high91.3Very high8 Ų842.3 Ų42.35%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-95.5130.9173178.60000110.3Y78 A79 F110 N111 Q115 L116Y78-V118 CarbonylContact O-C 3.53Å; Y78-V118 VanDerWaalsContact O-CA 3.31Å; Y78-V118 WeakPolarHBondContact O-CA 3.45Å; A79-V118 HydrophobicContact CB-CG2 4.42Å; F110-V118 WeakPolarHBondContact CA-O 3.1Å; N111-V118 HydrophobicContact CB-CB 4.45Å; N111-V118 PolarHBondContact N-O 2.89Å; Q115-V118 HydrophobicContact CB-CG2 3.94Å; Q115-V118 HydrophobicContact CG-CG2 3.61Å; L116-V118 PolarHBondContact O-N 3.22Å; L116-V118 VanDerWaalsContact O-N 3.13Å
119V92.2Very high91.4Very high0 Ų047.7 Ų47.70%024%0.241CC..EExtended strand (participates in β ladder)trans-107.2133.1171.3174.10000109.9F58 S77 Y78 L80 M85 W88 F109 F110 H121F58-V119 HydrophobicContact CE2-CG1 3.7Å; F58-V119 HydrophobicContact CE2-CG2 4.15Å; F58-V119 HydrophobicContact CZ-CG1 4.31Å; F58-V119 HydrophobicContact CZ-CG2 3.93Å; S77-V119 CarbonylContact C-O 3.56Å; S77-V119 VanDerWaalsContact CA-O 3.31Å; S77-V119 WeakPolarHBondContact CA-O 3.31Å; Y78-V119 PolarHBondContact N-O 3.22Å; Y78-V119 PolarHBondContact O-N 3.39Å; L80-V119 HydrophobicContact CD1-CG2 3.78Å; L80-V119 HydrophobicContact CG-CG2 4.2Å; M85-V119 HydrophobicContact CE-CG2 3.59Å; M85-V119 HydrophobicContact SD-CG2 3.43Å; M85-V119 WeakPolarHBondContact SD-CG2 3.1Å; W88-V119 HydrophobicContact CE3-CG2 4.05Å; W88-V119 HydrophobicContact CH2-CB 4.17Å; W88-V119 HydrophobicContact CH2-CG1 3.46Å; W88-V119 VanDerWaalsContact CH2-CG1 3.46Å; W88-V119 HydrophobicContact CH2-CG2 4.15Å; W88-V119 HydrophobicContact CZ2-CB 4.36Å; W88-V119 HydrophobicContact CZ2-CG1 3.98Å; W88-V119 HydrophobicContact CZ2-CG2 4.47Å; W88-V119 HydrophobicContact CZ3-CB 4.39Å; W88-V119 HydrophobicContact CZ3-CG1 3.87Å; W88-V119 HydrophobicContact CZ3-CG2 3.89Å; F109-V119 CarbonylContact O-C 3.57Å; F109-V119 WeakPolarHBondContact O-CA 3.15Å; F110-V119 HydrophobicContact CB-CG2 4.42Å; V119-H121 VanDerWaalsContact CG1-NE2 3.28Å; V119-H121 WeakPolarHBondContact CG1-NE2 3.47Å
120N91.7Very high91.3Very high5 Ų548.6 Ų48.63%0.02725%0.25CC..EExtended strand (participates in β ladder)trans-117.3122179.4-63.8-71.4000109.9M55 L75 R76 S77 G108 F109 N111 L181M55-N120 HydrophobicContact SD-CB 4.18Å; M55-N120 PolarHBondContact SD-ND2 3Å; L75-N120 HydrophobicContact CD1-CB 4.27Å; R76-N120 CarbonylContact O-C 3.51Å; R76-N120 WeakPolarHBondContact O-CA 3.33Å; S77-N120 WeakPolarHBondContact CB-OD1 3.33Å; S77-N120 PolarHBondContact OG-OD1 2.92Å; G108-N120 WeakPolarHBondContact CA-O 3.3Å; F109-N120 PolarHBondContact N-O 3.27Å; F109-N120 PolarHBondContact O-N 3.27Å; N111-N120 PolarHBondContact OD1-ND2 2.92Å; N120-L181 HydrophobicContact CB-CD2 4.47Å
121H91.4Very high91.3Very high0 Ų049 Ų490%025%0.25CC..EExtended strand (participates in β ladder)trans-111.8132.2173-63.2165.8000110.4W61 L75 R76 Y78 W88 W92 V119 W123W61-H121 AromaticContact CE2-NE2 4Å; W61-H121 HydrophobicContact CH2-CB 4.13Å; W61-H121 AromaticContact CH2-CD2 3.74Å; W61-H121 AromaticContact CH2-CG 3.73Å; W61-H121 AromaticContact CH2-ND1 3.99Å; W61-H121 AromaticContact CZ2-CD2 3.42Å; W61-H121 VanDerWaalsContact CZ2-CD2 3.42Å; W61-H121 WeakPolarHBondContact CZ2-CD2 3.37Å; W61-H121 AromaticContact CZ2-CE1 3.63Å; W61-H121 AromaticContact CZ2-CG 3.82Å; W61-H121 AromaticContact CZ2-ND1 3.93Å; W61-H121 AromaticContact CZ2-NE2 3.29Å; W61-H121 VanDerWaalsContact CZ2-NE2 3.29Å; W61-H121 WeakPolarHBondContact CZ2-NE2 3.47Å; L75-H121 WeakPolarHBondContact CA-O 3.47Å; R76-H121 PolarHBondContact N-O 2.84Å; R76-H121 PolarHBondContact O-N 2.88Å; Y78-H121 AromaticContact CE2-ND1 3.74Å; W88-H121 AromaticContact CH2-CE1 3.43Å; W88-H121 VanDerWaalsContact CH2-CE1 3.43Å; W88-H121 WeakPolarHBondContact CH2-CE1 3.13Å; W88-H121 AromaticContact CH2-NE2 3.33Å; W88-H121 VanDerWaalsContact CH2-NE2 3.33Å; W88-H121 WeakPolarHBondContact CH2-NE2 3.01Å; W88-H121 AromaticContact CZ2-CE1 3.72Å; W92-H121 AromaticContact CD2-CE1 3.99Å; W92-H121 AromaticContact CE3-CE1 3.82Å; W92-H121 AromaticContact CH2-CE1 3.84Å; W92-H121 AromaticContact CH2-ND1 3.97Å; W92-H121 AromaticContact CZ3-CE1 3.75Å; V119-H121 VanDerWaalsContact CG1-NE2 3.28Å; V119-H121 WeakPolarHBondContact CG1-NE2 3.47Å; H121-W123 HydrophobicContact CB-CZ2 4.07Å; H121-W123 AromaticContact ND1-CZ2 3.86Å
122I91.2Very high91.3Very high9 Ų953.1 Ų53.15%0.04627%0.267CS..EExtended strand (participates in β ladder)trans-107.8125.4171.5-56-180000108.1W4 L17 Y73 L75 V106 G107 F109W4-I122 HydrophobicContact CH2-CD1 4.47Å; L17-I122 HydrophobicContact CD2-CD1 3.78Å; Y73-I122 HydrophobicContact CD1-CG2 3.88Å; L75-I122 HydrophobicContact CD1-CG1 3.88Å; V106-I122 HydrophobicContact CB-CB 4.09Å; V106-I122 HydrophobicContact CB-CG2 3.82Å; V106-I122 WeakPolarHBondContact CB-O 3.32Å; V106-I122 HydrophobicContact CG1-CB 4.46Å; V106-I122 HydrophobicContact CG1-CG2 4.06Å; V106-I122 HydrophobicContact CG2-CG2 4.18Å; V106-I122 PolarHBondContact N-O 2.97Å; G107-I122 PolarHBondContact N-O 3.3Å; G107-I122 PolarHBondContact O-N 3.36Å; F109-I122 HydrophobicContact CE2-CD1 3.75Å; F109-I122 HydrophobicContact CE2-CG1 4.03Å
123W92Very high91.4Very high2 Ų253 Ų531%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-118.6150.8175.4-48.993.1000109.5W61 Y73 E74 W92 I96 Q104 E105 H121 Y125W61-W123 AromaticContact CH2-CH2 3.52Å; W61-W123 HydrophobicContact CH2-CH2 3.52Å; W61-W123 AromaticContact CH2-CZ2 3.69Å; W61-W123 HydrophobicContact CH2-CZ2 3.69Å; W61-W123 HydrophobicContact CH2-CZ3 4.1Å; W61-W123 HydrophobicContact CZ3-CH2 4.08Å; W61-W123 HydrophobicContact CZ3-CZ2 4.45Å; W61-W123 HydrophobicContact CZ3-CZ3 4.19Å; Y73-W123 CarbonylContact C-O 3.12Å; Y73-W123 VanDerWaalsContact CA-O 3.27Å; Y73-W123 WeakPolarHBondContact CA-O 3.35Å; E74-W123 HydrophobicContact CB-CB 4.3Å; E74-W123 PolarHBondContact N-O 2.79Å; E74-W123 PolarHBondContact O-N 2.94Å; W92-W123 HydrophobicContact CH2-CZ2 4.47Å; W92-W123 HydrophobicContact CZ3-CH2 4.32Å; W92-W123 HydrophobicContact CZ3-CZ2 4.26Å; I96-W123 HydrophobicContact CD1-CH2 3.7Å; I96-W123 HydrophobicContact CD1-CZ3 4.02Å; Q104-W123 HydrophobicContact CG-CE3 3.66Å; Q104-W123 HydrophobicContact CG-CZ3 4.06Å; Q104-W123 CarbonylContact O-C 3.48Å; Q104-W123 VanDerWaalsContact O-CA 3.26Å; Q104-W123 WeakPolarHBondContact O-CA 3.35Å; E105-W123 HydrophobicContact CB-CE3 4.1Å; E105-W123 HydrophobicContact CB-CZ3 3.81Å; H121-W123 HydrophobicContact CB-CZ2 4.07Å; H121-W123 AromaticContact ND1-CZ2 3.86Å; W123-Y125 HydrophobicContact CB-CD2 4.49Å; W123-Y125 HydrophobicContact CB-CE2 3.63Å
124A92.6Very high91.5Very high4 Ų450.8 Ų50.83%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-126.6137.5173.200000109.9R67 H71 I72 Y73 Q104 V106R67-A124 HydrophobicContact CB-CB 4.3Å; R67-A124 HydrophobicContact CG-CB 3.61Å; H71-A124 HydrophobicContact CB-CB 4.35Å; I72-A124 WeakPolarHBondContact O-CA 3.45Å; Y73-A124 HydrophobicContact CD1-CB 4.14Å; Y73-A124 HydrophobicContact CE1-CB 4.03Å; Q104-A124 WeakPolarHBondContact CA-O 3.34Å; Q104-A124 WeakPolarHBondContact CB-O 3.47Å; Q104-A124 PolarHBondContact O-N 3.31Å; V106-A124 HydrophobicContact CG2-CB 3.56Å
125Y92.2Very high91.5Very high3 Ų351 Ų511%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-134.1151.1177-54.7-84.5000109.1H71 I72 E74 Q104 W123 N127 R131 I134H71-Y125 CarbonylContact C-O 3.49Å; H71-Y125 WeakPolarHBondContact CA-O 3.33Å; H71-Y125 WeakPolarHBondContact CB-O 3.41Å; I72-Y125 WeakPolarHBondContact CG1-O 3.26Å; I72-Y125 PolarHBondContact N-O 3.07Å; I72-Y125 PolarHBondContact O-N 3.22Å; E74-Y125 HydrophobicContact CB-CE2 4.06Å; E74-Y125 VanDerWaalsContact OE2-CE2 3.28Å; E74-Y125 WeakPolarHBondContact OE2-CE2 3.2Å; Q104-Y125 HydrophobicContact CB-CD1 4.04Å; Q104-Y125 HydrophobicContact CB-CE1 3.7Å; Q104-Y125 HydrophobicContact CG-CE1 3.97Å; W123-Y125 HydrophobicContact CB-CD2 4.49Å; W123-Y125 HydrophobicContact CB-CE2 3.63Å; Y125-N127 VanDerWaalsContact C-N 3.29Å; Y125-N127 PolarHBondContact O-N 3.26Å; Y125-R131 HydrophobicContact CD1-CB 3.84Å; Y125-R131 HydrophobicContact CD1-CG 4.18Å; Y125-R131 HydrophobicContact CD2-CB 3.88Å; Y125-R131 HydrophobicContact CD2-CG 3.81Å; Y125-R131 HydrophobicContact CE1-CB 4.26Å; Y125-R131 HydrophobicContact CE1-CG 4.12Å; Y125-R131 HydrophobicContact CE2-CB 4.31Å; Y125-R131 HydrophobicContact CE2-CG 3.76Å; Y125-R131 HydrophobicContact CG-CB 3.62Å; Y125-R131 HydrophobicContact CG-CG 4.02Å; Y125-I134 HydrophobicContact CD1-CD1 4.07Å; Y125-I134 HydrophobicContact CE1-CB 4.46Å; Y125-I134 HydrophobicContact CE1-CG2 4.27Å
126E90.7Very high91.6Very high128 Ų12850 Ų5060%0.59824%0.242SC*.SBendtrans-63.2-37.6176.7-64.3-176.1175.400112.3A130E126-A130 HydrophobicContact CB-CB 4.36Å
127N90.6Very high91.6Very high71 Ų7150.5 Ų50.538%0.3824%0.24SC..SBendtrans-164.2176.6179.257.469000110.2Y125 E129 A130 R131Y125-N127 VanDerWaalsContact C-N 3.29Å; Y125-N127 PolarHBondContact O-N 3.26Å; N127-E129 VanDerWaalsContact C-N 3.32Å; N127-E129 PolarHBondContact O-N 3.36Å; N127-E129 WeakPolarHBondContact OD1-CA 3.47Å; N127-E129 WeakPolarHBondContact OD1-CB 3.28Å; N127-E129 PolarHBondContact OD1-N 3.16Å; N127-A130 PolarHBondContact O-N 3.04Å; N127-A130 PolarHBondContact OD1-N 3.05Å; N127-R131 PolarHBondContact O-N 3.07Å
128L90.9Very high91.4Very high82 Ų8246 Ų4643%0.42922%0.224SC..Hα-helixtrans-66.7-30.3-178.4-70.6174.2000113.6F8 I72 R131 K132 I163F8-L128 HydrophobicContact CE2-CD1 4Å; F8-L128 HydrophobicContact CZ-CD1 4.28Å; I72-L128 HydrophobicContact CD1-CD2 3.53Å; I72-L128 HydrophobicContact CD1-CG 3.89Å; L128-R131 WeakPolarHBondContact O-CB 3.44Å; L128-K132 PolarHBondContact O-N 2.76Å; L128-I163 HydrophobicContact CD2-CD1 3.67Å
129E93.2Very high91Very high113 Ų11352 Ų5253%0.52825%0.245SC..Hα-helixtrans-71.7-47.8177.3-168.761-154.700110.3N127 R131 K132 T133N127-E129 VanDerWaalsContact C-N 3.32Å; N127-E129 PolarHBondContact O-N 3.36Å; N127-E129 WeakPolarHBondContact OD1-CA 3.47Å; N127-E129 WeakPolarHBondContact OD1-CB 3.28Å; N127-E129 PolarHBondContact OD1-N 3.16Å; E129-R131 PolarHBondContact O-N 2.76Å; E129-K132 WeakPolarHBondContact O-CA 3.36Å; E129-K132 WeakPolarHBondContact O-CB 3.41Å; E129-K132 PolarHBondContact O-N 3.01Å; E129-T133 PolarHBondContact O-N 3.1Å; E129-T133 PolarHBondContact O-OG1 3.34Å
130A92.4Very high90.7Very high21 Ų2159 Ų5917%0.17428%0.282CS..Hα-helixtrans-55.6-41.7173.100000111.3E126 N127 K132 T133 I134E126-A130 HydrophobicContact CB-CB 4.36Å; N127-A130 PolarHBondContact O-N 3.04Å; N127-A130 PolarHBondContact OD1-N 3.05Å; A130-K132 PolarHBondContact O-N 3.33Å; A130-T133 PolarHBondContact O-N 3.47Å; A130-I134 VanDerWaalsContact O-CB 3.31Å; A130-I134 WeakPolarHBondContact O-CB 3.47Å; A130-I134 WeakPolarHBondContact O-CD1 3.37Å; A130-I134 WeakPolarHBondContact O-CG1 3.22Å; A130-I134 PolarHBondContact O-N 2.94Å
131R92.1Very high90.2Very high48 Ų4860.5 Ų60.518%0.18129%0.291CS..Hα-helixtrans-56.8-47.2172.9176.3-177.5177.1-841.6111.9E74 Y125 N127 L128 E129 R135E74-R131 VanDerWaalsContact CD-NE 3.32Å; E74-R131 VanDerWaalsContact CD-NH2 3.33Å; E74-R131 IonicContact OE1-CZ 3.36Å; E74-R131 IonicContact OE1-NE 2.85Å; E74-R131 IonicContact OE1-NH2 3.68Å; E74-R131 PolarHBondContact OE1-NH2 3.25Å; E74-R131 IonicContact OE2-CZ 3.34Å; E74-R131 IonicContact OE2-NE 3.79Å; E74-R131 PolarHBondContact OE2-NE 2.64Å; E74-R131 IonicContact OE2-NH2 2.72Å; E74-R131 PolarHBondContact OE2-NH2 3.31Å; Y125-R131 HydrophobicContact CD1-CB 3.84Å; Y125-R131 HydrophobicContact CD1-CG 4.18Å; Y125-R131 HydrophobicContact CD2-CB 3.88Å; Y125-R131 HydrophobicContact CD2-CG 3.81Å; Y125-R131 HydrophobicContact CE1-CB 4.26Å; Y125-R131 HydrophobicContact CE1-CG 4.12Å; Y125-R131 HydrophobicContact CE2-CB 4.31Å; Y125-R131 HydrophobicContact CE2-CG 3.76Å; Y125-R131 HydrophobicContact CG-CB 3.62Å; Y125-R131 HydrophobicContact CG-CG 4.02Å; N127-R131 PolarHBondContact O-N 3.07Å; L128-R131 WeakPolarHBondContact O-CB 3.44Å; E129-R131 PolarHBondContact O-N 2.76Å; R131-R135 WeakPolarHBondContact O-CB 3.16Å; R131-R135 WeakPolarHBondContact O-CD 3.5Å; R131-R135 WeakPolarHBondContact O-CG 3.41Å; R131-R135 PolarHBondContact O-N 3.14Å; R131-R135 VanDerWaalsContact O-N 3.11Å
132K92.6Very high89.7Confident96 Ų9665.8 Ų65.842%0.41733%0.326SS..Hα-helixtrans-61.8-53.8178.9177.6-171.4166.6-160.90110.4L128 E129 A130 I134 R135 E136L128-K132 PolarHBondContact O-N 2.76Å; E129-K132 WeakPolarHBondContact O-CA 3.36Å; E129-K132 WeakPolarHBondContact O-CB 3.41Å; E129-K132 PolarHBondContact O-N 3.01Å; A130-K132 PolarHBondContact O-N 3.33Å; K132-I134 PolarHBondContact O-N 3.15Å; K132-R135 PolarHBondContact O-N 3.41Å; K132-E136 WeakPolarHBondContact CE-OE1 3.21Å; K132-E136 WeakPolarHBondContact CG-OE1 3.47Å; K132-E136 WeakPolarHBondContact O-CG 3.44Å; K132-E136 PolarHBondContact O-N 2.75Å
133T94.1Very high89Confident75 Ų7565.9 Ų65.946%0.4633%0.329SS..Hα-helixtrans-58.6-45.9-178.4-520000112.3E129 A130 R135 E136 K137E129-T133 PolarHBondContact O-N 3.1Å; E129-T133 PolarHBondContact O-OG1 3.34Å; A130-T133 PolarHBondContact O-N 3.47Å; T133-R135 VanDerWaalsContact C-N 3.34Å; T133-R135 PolarHBondContact O-N 3.07Å; T133-E136 PolarHBondContact O-N 2.66Å; T133-K137 WeakPolarHBondContact O-CB 3.32Å; T133-K137 PolarHBondContact O-N 3.14Å
134I92.3Very high88.3Confident38 Ų3866 Ų6620%0.19533%0.329CS..Hα-helixtrans-63.5-42.2179.2-70.8164.9000110.7A102 Q104 Y125 A130 K132 T138A102-I134 HydrophobicContact CB-CD1 4.33Å; A102-I134 HydrophobicContact CB-CG1 4.19Å; A102-I134 HydrophobicContact CB-CG2 3.79Å; Q104-I134 HydrophobicContact CG-CG2 4.46Å; Y125-I134 HydrophobicContact CD1-CD1 4.07Å; Y125-I134 HydrophobicContact CE1-CB 4.46Å; Y125-I134 HydrophobicContact CE1-CG2 4.27Å; A130-I134 VanDerWaalsContact O-CB 3.31Å; A130-I134 WeakPolarHBondContact O-CB 3.47Å; A130-I134 WeakPolarHBondContact O-CD1 3.37Å; A130-I134 WeakPolarHBondContact O-CG1 3.22Å; A130-I134 PolarHBondContact O-N 2.94Å; K132-I134 PolarHBondContact O-N 3.15Å; I134-T138 WeakPolarHBondContact O-CB 3.47Å; I134-T138 PolarHBondContact O-N 3.08Å; I134-T138 PolarHBondContact O-OG1 3.01Å
135R90Very high87.4Confident51 Ų5169.2 Ų69.219%0.19235%0.346CS..Hα-helixtrans-64.8-45.6178.2-73.8174.963.180.18111.4R131 K132 T133 T138 W139R131-R135 WeakPolarHBondContact O-CB 3.16Å; R131-R135 WeakPolarHBondContact O-CD 3.5Å; R131-R135 WeakPolarHBondContact O-CG 3.41Å; R131-R135 PolarHBondContact O-N 3.14Å; R131-R135 VanDerWaalsContact O-N 3.11Å; K132-R135 PolarHBondContact O-N 3.41Å; T133-R135 VanDerWaalsContact C-N 3.34Å; T133-R135 PolarHBondContact O-N 3.07Å; R135-T138 PolarHBondContact O-N 3.27Å; R135-W139 PolarHBondContact O-N 2.97Å
136E89.9Confident86.3Confident100 Ų10074.4 Ų74.447%0.46737%0.373SS..Hα-helixtrans-60.2-48.6176.6-73.3172177.600111.1K132 T133 T138 W139 L140K132-E136 WeakPolarHBondContact CE-OE1 3.21Å; K132-E136 WeakPolarHBondContact CG-OE1 3.47Å; K132-E136 WeakPolarHBondContact O-CG 3.44Å; K132-E136 PolarHBondContact O-N 2.75Å; T133-E136 PolarHBondContact O-N 2.66Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.36Å; E136-W139 PolarHBondContact O-N 2.94Å; E136-W139 VanDerWaalsContact O-N 3.16Å; E136-L140 WeakPolarHBondContact O-CG 3.38Å; E136-L140 PolarHBondContact O-N 3.21Å
137K89.5Confident85.4Confident106 Ų10669.5 Ų69.546%0.46135%0.351SS..Hα-helixtrans-55-46.8174.3-175.3-175.4173.8-169.70111.2E101 T133 W139 L140 T141E101-K137 IonicContact OE1-NZ 2.78Å; E101-K137 PolarHBondContact OE1-NZ 2.73Å; E101-K137 IonicContact OE2-NZ 3.45Å; T133-K137 WeakPolarHBondContact O-CB 3.32Å; T133-K137 PolarHBondContact O-N 3.14Å; K137-W139 VanDerWaalsContact C-N 3.31Å; K137-W139 PolarHBondContact O-N 3.19Å; K137-L140 PolarHBondContact O-N 3.33Å; K137-L140 VanDerWaalsContact O-N 3.07Å; K137-T141 PolarHBondContact O-N 2.77Å; K137-T141 PolarHBondContact O-OG1 3.37Å
138T86.6Confident84.3Confident7 Ų766.9 Ų66.94%0.04334%0.338CS..Hα-helixtrans-61.5-38.3-179.4-55.80000112.4R99 I134 R135 E136 L140 T141 W144R99-T138 HydrophobicContact CG-CG2 3.61Å; I134-T138 WeakPolarHBondContact O-CB 3.47Å; I134-T138 PolarHBondContact O-N 3.08Å; I134-T138 PolarHBondContact O-OG1 3.01Å; R135-T138 PolarHBondContact O-N 3.27Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.36Å; T138-L140 PolarHBondContact O-N 2.82Å; T138-T141 WeakPolarHBondContact O-CB 3.34Å; T138-T141 PolarHBondContact O-N 2.85Å; T138-W144 HydrophobicContact CG2-CD2 3.66Å; T138-W144 HydrophobicContact CG2-CE3 4.04Å; T138-W144 HydrophobicContact CG2-CG 3.87Å
139W83.3Confident82.8Confident133 Ų13366 Ų6650%0.50434%0.342SS..Hα-helixtrans-67.9-23.6177.3-80.2112.9000113.2R135 E136 K137 W144R135-W139 PolarHBondContact O-N 2.97Å; E136-W139 PolarHBondContact O-N 2.94Å; E136-W139 VanDerWaalsContact O-N 3.16Å; K137-W139 VanDerWaalsContact C-N 3.31Å; K137-W139 PolarHBondContact O-N 3.19Å; W139-W144 AromaticContact CD2-NE1 3.9Å; W139-W144 AromaticContact CE3-CD1 3.86Å; W139-W144 AromaticContact CE3-NE1 3.75Å; W139-W144 AromaticContact CZ3-NE1 3.93Å
140L85.1Confident81.2Confident146 Ų14668.4 Ų68.476%0.76435%0.348SS*.Hα-helixtrans-86.1-13.3175.5-63.1172000112.8E136 K137 T138 P142E136-L140 WeakPolarHBondContact O-CG 3.38Å; E136-L140 PolarHBondContact O-N 3.21Å; K137-L140 PolarHBondContact O-N 3.33Å; K137-L140 VanDerWaalsContact O-N 3.07Å; T138-L140 PolarHBondContact O-N 2.82Å; L140-P142 VanDerWaalsContact O-CD 3.28Å; L140-P142 WeakPolarHBondContact O-CD 3.13Å
141T82.4Confident79.6Confident37 Ų3767.6 Ų67.623%0.22734%0.341CS..SBendtrans-69.4117.9179.2-57.90000110.4Y98 K137 T138 G143 W144Y98-T141 HydrophobicContact CD1-CG2 3.76Å; Y98-T141 HydrophobicContact CG-CG2 4.37Å; K137-T141 PolarHBondContact O-N 2.77Å; K137-T141 PolarHBondContact O-OG1 3.37Å; T138-T141 WeakPolarHBondContact O-CB 3.34Å; T138-T141 PolarHBondContact O-N 2.85Å; T141-G143 PolarHBondContact O-N 2.84Å; T141-W144 WeakPolarHBondContact O-CB 3.38Å; T141-W144 PolarHBondContact O-N 2.84Å
142P79.4Confident78.1Confident111 Ų11166.6 Ų66.672%0.72135%0.345SS*.THydrogen-bonded Turntrans-58.5129.8179.7-24.134.6000111.8Y98 L140Y98-P142 WeakPolarHBondContact CE1-O 3.44Å; L140-P142 VanDerWaalsContact O-CD 3.28Å; L140-P142 WeakPolarHBondContact O-CD 3.13Å
143G76.8Confident76.5Confident11 Ų1171.1 Ų71.111%0.11337%0.365CS..THydrogen-bonded Turntrans95.7-17.9178.700000114.5T141 D145 N147T141-G143 PolarHBondContact O-N 2.84Å; G143-D145 PolarHBondContact N-OD1 3Å; G143-N147 PolarHBondContact O-N 3.26Å; G143-N147 PolarHBondContact O-ND2 3.34Å
144W77.7Confident74.9Confident4 Ų470.5 Ų70.52%0.01536%0.364CS..Hα-helixtrans-61.9-48.3170.1167.3-101.1000110.9W92 A95 R99 T138 W139 T141 L146 N147 V148W92-W144 AromaticContact CH2-CH2 3.7Å; W92-W144 HydrophobicContact CH2-CH2 3.7Å; W92-W144 HydrophobicContact CH2-CZ2 4.46Å; W92-W144 HydrophobicContact CZ2-CH2 4.42Å; W92-W144 AromaticContact CZ3-CH2 3.81Å; W92-W144 HydrophobicContact CZ3-CH2 3.81Å; W92-W144 HydrophobicContact CZ3-CZ3 4.36Å; A95-W144 HydrophobicContact CB-CE3 4.06Å; A95-W144 HydrophobicContact CB-CH2 4.48Å; A95-W144 HydrophobicContact CB-CZ3 3.7Å; A95-W144 WeakPolarHBondContact O-CZ3 3.49Å; R99-W144 VanDerWaalsContact CD-CZ3 3.5Å; R99-W144 HydrophobicContact CG-CE3 4.13Å; R99-W144 HydrophobicContact CG-CH2 4.34Å; R99-W144 HydrophobicContact CG-CZ3 3.82Å; T138-W144 HydrophobicContact CG2-CD2 3.66Å; T138-W144 HydrophobicContact CG2-CE3 4.04Å; T138-W144 HydrophobicContact CG2-CG 3.87Å; W139-W144 AromaticContact CD2-NE1 3.9Å; W139-W144 AromaticContact CE3-CD1 3.86Å; W139-W144 AromaticContact CE3-NE1 3.75Å; W139-W144 AromaticContact CZ3-NE1 3.93Å; T141-W144 WeakPolarHBondContact O-CB 3.38Å; T141-W144 PolarHBondContact O-N 2.84Å; W144-L146 PolarHBondContact O-N 2.77Å; W144-N147 PolarHBondContact O-N 2.72Å; W144-V148 HydrophobicContact CD2-CG2 4.11Å; W144-V148 HydrophobicContact CE3-CG2 4.05Å; W144-V148 HydrophobicContact CH2-CB 4.5Å; W144-V148 HydrophobicContact CH2-CG2 3.54Å; W144-V148 HydrophobicContact CZ2-CB 4.15Å; W144-V148 HydrophobicContact CZ2-CG1 4.07Å; W144-V148 HydrophobicContact CZ2-CG2 3.65Å; W144-V148 HydrophobicContact CZ3-CG2 3.79Å; W144-V148 PolarHBondContact O-N 2.72Å; W144-V148 VanDerWaalsContact O-N 3.12Å
145D73.3Confident73.5Confident73 Ų7369.5 Ų69.539%0.3936%0.358SS..Hα-helixtrans-58.7-45.6177.464.4-36.1000111.8G143 N147 V148 A149G143-D145 PolarHBondContact N-OD1 3Å; D145-N147 VanDerWaalsContact C-N 3.32Å; D145-N147 PolarHBondContact O-N 2.91Å; D145-V148 PolarHBondContact O-N 3.14Å; D145-A149 WeakPolarHBondContact O-CA 3.42Å; D145-A149 WeakPolarHBondContact O-CB 3.26Å; D145-A149 PolarHBondContact O-N 2.9Å
146L70Confident72.4Confident111 Ų11168.3 Ų68.358%0.58136%0.355SS*.Hα-helixtrans-62-36.6179.2-68.9174.4000113W144 Y150W144-L146 PolarHBondContact O-N 2.77Å; L146-Y150 WeakPolarHBondContact O-CD2 3.37Å
147N71Confident71.1Confident25 Ų2567.2 Ų67.213%0.13436%0.363CS..Hα-helixtrans-83-24.9-178.6-70.5-72.4000113A95 G143 W144 D145 T151A95-N147 HydrophobicContact CB-CB 3.75Å; G143-N147 PolarHBondContact O-N 3.26Å; G143-N147 PolarHBondContact O-ND2 3.34Å; W144-N147 PolarHBondContact O-N 2.72Å; D145-N147 VanDerWaalsContact C-N 3.32Å; D145-N147 PolarHBondContact O-N 2.91Å; N147-T151 WeakPolarHBondContact O-CG2 3.12Å
148V67.9Low70Confident17 Ų1766.8 Ų66.810%0.10336%0.363CS..Hα-helixtrans-108.9-32.7-172.5-179.20000113.1W92 A95 W144 D145 Y150 T151 G152W92-V148 HydrophobicContact CZ2-CG1 4.25Å; A95-V148 HydrophobicContact CB-CG2 3.52Å; W144-V148 HydrophobicContact CD2-CG2 4.11Å; W144-V148 HydrophobicContact CE3-CG2 4.05Å; W144-V148 HydrophobicContact CH2-CB 4.5Å; W144-V148 HydrophobicContact CH2-CG2 3.54Å; W144-V148 HydrophobicContact CZ2-CB 4.15Å; W144-V148 HydrophobicContact CZ2-CG1 4.07Å; W144-V148 HydrophobicContact CZ2-CG2 3.65Å; W144-V148 HydrophobicContact CZ3-CG2 3.79Å; W144-V148 PolarHBondContact O-N 2.72Å; W144-V148 VanDerWaalsContact O-N 3.12Å; D145-V148 PolarHBondContact O-N 3.14Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-Y150 PolarHBondContact O-N 2.79Å; V148-T151 WeakPolarHBondContact O-CA 3.37Å; V148-T151 WeakPolarHBondContact O-CB 3.38Å; V148-T151 PolarHBondContact O-N 3.48Å; V148-T151 PolarHBondContact O-OG1 3.29Å; V148-G152 PolarHBondContact O-N 2.89Å
149A59.5Low69.1Low63 Ų6371.3 Ų71.352%0.52138%0.384SS..Hα-helixtrans-59.7-40.6-177.200000112.1D145 T151 G152D145-A149 WeakPolarHBondContact O-CA 3.42Å; D145-A149 WeakPolarHBondContact O-CB 3.26Å; D145-A149 PolarHBondContact O-N 2.9Å; A149-T151 PolarHBondContact O-N 2.97Å; A149-G152 PolarHBondContact O-N 2.92Å
150Y58.6Low68.5Low164 Ų16468.2 Ų68.264%0.64338%0.377SS*.Hα-helixtrans-63.7-28174.4-73.6-79.9000112.6L146 V148 G152 S154L146-Y150 WeakPolarHBondContact O-CD2 3.37Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-Y150 PolarHBondContact O-N 2.79Å; Y150-G152 VanDerWaalsContact C-N 3.33Å; Y150-G152 PolarHBondContact O-N 2.94Å; Y150-S154 WeakPolarHBondContact O-CB 3.35Å; Y150-S154 PolarHBondContact O-OG 3.38Å
151T60Low67.7Low3 Ų363.4 Ų63.42%0.01836%0.356CS..Hα-helixtrans-72.1-28.7-179720000113.2N91 N147 V148 A149 F155N91-T151 HydrophobicContact CB-CG2 3.9Å; N147-T151 WeakPolarHBondContact O-CG2 3.12Å; V148-T151 WeakPolarHBondContact O-CA 3.37Å; V148-T151 WeakPolarHBondContact O-CB 3.38Å; V148-T151 PolarHBondContact O-N 3.48Å; V148-T151 PolarHBondContact O-OG1 3.29Å; A149-T151 PolarHBondContact O-N 2.97Å; T151-F155 VanDerWaalsContact CA-CD2 3.49Å; T151-F155 HydrophobicContact CG2-CD2 4.18Å; T151-F155 HydrophobicContact CG2-CE2 4.33Å; T151-F155 WeakPolarHBondContact O-CB 3.49Å; T151-F155 PolarHBondContact O-N 3.35Å
152G59.7Low67.4Low27 Ų2763 Ų6328%0.27835%0.351SS..Hα-helixtrans-66.3-61.1-174.500000113.4V148 A149 Y150 L156V148-G152 PolarHBondContact O-N 2.89Å; A149-G152 PolarHBondContact O-N 2.92Å; Y150-G152 VanDerWaalsContact C-N 3.33Å; Y150-G152 PolarHBondContact O-N 2.94Å; G152-L156 WeakPolarHBondContact O-CB 3.21Å; G152-L156 PolarHBondContact O-N 3.19Å
153K59.7Low66.8Low191 Ų19158.7 Ų58.783%0.8332%0.321SS*.Hα-helixtrans-73.8-35.3-175.4-88-177.7174.9177.80113.4
154S60.2Low66.4Low63 Ų6358.5 Ų58.544%0.44132%0.318SS..Hα-helixtrans-84.2-30-172.4-58.60000112.9R81 Y150R81-S154 WeakPolarHBondContact CD-O 3.27Å; Y150-S154 WeakPolarHBondContact O-CB 3.35Å; Y150-S154 PolarHBondContact O-OG 3.38Å
155F63.2Low65.9Low17 Ų1761.7 Ų61.78%0.07534%0.336CS..Hα-helixtrans-119.2-25-169.8-49.9-46.3000114.9L80 R81 E87 W88 T151L80-F155 CarbonylContact C-O 3.43Å; L80-F155 VanDerWaalsContact CA-O 3.25Å; L80-F155 WeakPolarHBondContact CA-O 3.43Å; R81-F155 PolarHBondContact N-O 2.83Å; E87-F155 HydrophobicContact CB-CZ 4.35Å; E87-F155 HydrophobicContact CG-CE1 4.47Å; E87-F155 HydrophobicContact CG-CE2 4.21Å; E87-F155 HydrophobicContact CG-CZ 3.77Å; E87-F155 WeakPolarHBondContact OE1-CZ 3.44Å; E87-F155 WeakPolarHBondContact OE2-CE1 3.34Å; E87-F155 VanDerWaalsContact OE2-CZ 3.28Å; E87-F155 WeakPolarHBondContact OE2-CZ 3.45Å; W88-F155 HydrophobicContact CB-CD2 4.26Å; T151-F155 VanDerWaalsContact CA-CD2 3.49Å; T151-F155 HydrophobicContact CG2-CD2 4.18Å; T151-F155 HydrophobicContact CG2-CE2 4.33Å; T151-F155 WeakPolarHBondContact O-CB 3.49Å; T151-F155 PolarHBondContact O-N 3.35Å
156L66.4Low65.7Low25 Ų2560.3 Ų60.313%0.13133%0.328CS..EExtended strand (participates in β ladder)trans-85.3126-175-57.9178.8000111.3Y78 L80 G152 Q159Y78-L156 HydrophobicContact CD1-CD1 4.06Å; Y78-L156 HydrophobicContact CD1-CD2 3.96Å; Y78-L156 HydrophobicContact CE1-CD1 4.44Å; Y78-L156 HydrophobicContact CG-CD2 4.32Å; L80-L156 HydrophobicContact CD2-CD2 3.37Å; G152-L156 WeakPolarHBondContact O-CB 3.21Å; G152-L156 PolarHBondContact O-N 3.19Å; L156-Q159 HydrophobicContact CB-CG 4.4Å; L156-Q159 VanDerWaalsContact CD1-CD 3.46Å; L156-Q159 HydrophobicContact CD1-CG 3.85Å; L156-Q159 VanDerWaalsContact CD1-NE2 3.3Å
157A62.3Low65.1Low77 Ų7760.1 Ų60.164%0.63633%0.327SS*.EExtended strand (participates in β ladder)trans-92.7-39.9168.300000110.9A79A79-A157 PolarHBondContact O-N 3.43Å
158E66.8Low64.5Low97 Ų9764.9 Ų64.945%0.45335%0.346SS..EExtended strand (participates in β ladder)trans-148.5149.3-178-162.3-176.4158.500110.6A79 N160A79-E158 HydrophobicContact CB-CB 3.85Å; A79-E158 PolarHBondContact N-O 3.32Å; A79-E158 PolarHBondContact O-N 2.82Å; E158-N160 PolarHBondContact OE1-ND2 3.46Å
159Q67.4Low64Low103 Ų10367.3 Ų67.348%0.48136%0.358SS..EExtended strand (participates in β ladder)trans-135.6122.1175.3-52.6-174.347.100110.1Y78 L156Y78-Q159 HydrophobicContact CD1-CB 4.27Å; Y78-Q159 HydrophobicContact CD1-CG 3.86Å; Y78-Q159 HydrophobicContact CE1-CB 4.45Å; Y78-Q159 HydrophobicContact CE1-CG 4.17Å; L156-Q159 HydrophobicContact CB-CG 4.4Å; L156-Q159 VanDerWaalsContact CD1-CD 3.46Å; L156-Q159 HydrophobicContact CD1-CG 3.85Å; L156-Q159 VanDerWaalsContact CD1-NE2 3.3Å
160N70.7Confident63.6Low67 Ų6767.6 Ų67.636%0.35835%0.351SS..EExtended strand (participates in β ladder)trans-119.9143.6174.1-67.4-41.7000110R76 S77 E158 F162R76-N160 WeakPolarHBondContact CA-O 3Å; S77-N160 PolarHBondContact N-O 2.92Å; S77-N160 PolarHBondContact O-N 3.31Å; E158-N160 PolarHBondContact OE1-ND2 3.46Å; N160-F162 HydrophobicContact CB-CE2 3.66Å; N160-F162 HydrophobicContact CB-CZ 3.93Å
161S69.6Low63.4Low45 Ų4561.7 Ų61.732%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-142.8127.1-177.1-174.80000109.4E74 L75 R76E74-S161 PolarHBondContact OE1-OG 3.11Å; E74-S161 VanDerWaalsContact OE1-OG 3.07Å; L75-S161 WeakPolarHBondContact O-CA 3.47Å; R76-S161 PolarHBondContact NH1-OG 3.4Å
162F74.9Confident62.5Low30 Ų3067.5 Ų67.513%0.13237%0.369CS..EExtended strand (participates in β ladder)trans-130.2139-178.7-53-82.5000109.2F8 D10 M13 E74 L75 N160F8-F162 WeakPolarHBondContact O-CA 3.42Å; D10-F162 HydrophobicContact CB-CD1 4.33Å; D10-F162 HydrophobicContact CB-CE1 3.95Å; D10-F162 VanDerWaalsContact CG-CE1 3.46Å; D10-F162 WeakPolarHBondContact OD2-CE1 3.36Å; D10-F162 WeakPolarHBondContact OD2-CZ 3.4Å; M13-F162 HydrophobicContact CE-CB 4.16Å; M13-F162 HydrophobicContact CE-CD1 3.94Å; M13-F162 HydrophobicContact CE-CD2 4.2Å; M13-F162 HydrophobicContact CE-CE1 4.44Å; M13-F162 HydrophobicContact CE-CG 3.83Å; E74-F162 WeakPolarHBondContact CA-O 3.48Å; L75-F162 PolarHBondContact N-O 3.1Å; L75-F162 PolarHBondContact O-N 2.9Å; N160-F162 HydrophobicContact CB-CE2 3.66Å; N160-F162 HydrophobicContact CB-CZ 3.93Å
163I66.9Low61.3Low19 Ų1969.5 Ų69.510%0.09738%0.383CS..EExtended strand (participates in β ladder)trans-106.7134.6173.1-58.3176.2000107.9I7 F8 I72 E74 L128I7-I163 HydrophobicContact CD1-CG2 4.25Å; I7-I163 HydrophobicContact CG1-CG2 4.29Å; I7-I163 WeakPolarHBondContact CG1-O 3.28Å; I7-I163 PolarHBondContact N-O 2.89Å; F8-I163 HydrophobicContact CB-CB 4.13Å; F8-I163 HydrophobicContact CD2-CB 4Å; F8-I163 HydrophobicContact CD2-CG2 4.1Å; F8-I163 PolarHBondContact N-O 2.98Å; F8-I163 VanDerWaalsContact N-O 3.1Å; F8-I163 PolarHBondContact O-N 3.46Å; I72-I163 HydrophobicContact CB-CG2 4.38Å; I72-I163 HydrophobicContact CD1-CG2 4.32Å; E74-I163 HydrophobicContact CB-CG1 4.42Å; E74-I163 HydrophobicContact CG-CG1 4.22Å; L128-I163 HydrophobicContact CD2-CD1 3.67Å
164S67.9Low60.4Low7 Ų765 Ų655%0.04937%0.372CS..EExtended strand (participates in β ladder)trans-139.8148.8-169.767.50000111W4 K5 Y73W4-S164 WeakPolarHBondContact CB-OG 3.33Å; K5-S164 CarbonylContact O-C 3.54Å; K5-S164 WeakPolarHBondContact O-CA 3.27Å; K5-S164 VanDerWaalsContact O-CB 3.27Å; K5-S164 WeakPolarHBondContact O-CB 3.16Å; Y73-S164 PolarHBondContact N-O 2.82Å; Y73-S164 PolarHBondContact O-N 3.23Å; Y73-S164 VanDerWaalsContact O-O 3.13Å; Y73-S164 PolarHBondContact O-OG 3.24Å; Y73-S164 VanDerWaalsContact O-OG 3.14Å
165N68.3Low59.5Low72 Ų7266 Ų6639%0.38538%0.379SS..EExtended strand (participates in β ladder)trans-94.3137.6170.4-73.4-18.6000109.2W4 K5 I167W4-N165 CarbonylContact C-O 3.58Å; W4-N165 WeakPolarHBondContact CA-O 3.42Å; W4-N165 WeakPolarHBondContact CB-O 3.26Å; K5-N165 PolarHBondContact N-O 3.16Å; K5-N165 PolarHBondContact O-N 2.7Å; N165-I167 PolarHBondContact O-N 3.32Å
166L68.5Low58.8Low44 Ų4470.6 Ų70.623%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-66.7118.9173.3-177.173000109.2W4 Y73 K168 D169W4-L166 VanDerWaalsContact CD1-CA 3.47Å; W4-L166 HydrophobicContact CD2-CD1 4.24Å; W4-L166 HydrophobicContact CG-CD1 4.35Å; W4-L166 HydrophobicContact CZ2-CD1 3.99Å; W4-L166 VanDerWaalsContact NE1-CD1 3.27Å; Y73-L166 HydrophobicContact CD2-CB 3.88Å; Y73-L166 HydrophobicContact CE2-CB 3.65Å; Y73-L166 HydrophobicContact CE2-CD1 4.4Å; Y73-L166 HydrophobicContact CE2-CD2 3.96Å; Y73-L166 HydrophobicContact CE2-CG 4.23Å; L166-K168 WeakPolarHBondContact CD1-O 3.41Å; L166-D169 HydrophobicContact CD2-CB 4.13Å
167I57.2Low58.6Low107 Ų10771.4 Ų71.455%0.54942%0.417SS..EExtended strand (participates in β ladder)trans-83.1-39.7173.5-53.8174000109.5S3 K5 N165S3-I167 WeakPolarHBondContact O-CA 3.34Å; S3-I167 WeakPolarHBondContact O-CB 3.39Å; S3-I167 PolarHBondContact O-N 3.38Å; K5-I167 HydrophobicContact CB-CD1 3.71Å; K5-I167 HydrophobicContact CB-CG1 3.94Å; N165-I167 PolarHBondContact O-N 3.32Å
168K58.4Low59.1Low125 Ų12568 Ų6854%0.54339%0.388SS..EExtended strand (participates in β ladder)trans-156.5128.2-176.4-165.5175.8-173.7-179.50110.9G2 S3 L166 L170G2-K168 CarbonylContact C-O 3.58Å; G2-K168 WeakPolarHBondContact CA-O 3.48Å; S3-K168 PolarHBondContact N-O 3.23Å; S3-K168 PolarHBondContact O-N 3.04Å; L166-K168 WeakPolarHBondContact CD1-O 3.41Å; K168-L170 HydrophobicContact CD-CD1 4.44Å; K168-L170 HydrophobicContact CD-CD2 4.09Å; K168-L170 HydrophobicContact CD-CG 4.21Å; K168-L170 HydrophobicContact CG-CD2 4.38Å; K168-L170 HydrophobicContact CG-CG 4.2Å
169D58.2Low59.5Low67 Ų6763.7 Ų63.736%0.35837%0.368SS..  trans-86.4143.4162.1-16716.4000110.3G66 L166 S171G66-D169 VanDerWaalsContact CA-OD2 3.22Å; G66-D169 WeakPolarHBondContact CA-OD2 3.34Å; L166-D169 HydrophobicContact CD2-CB 4.13Å; D169-S171 WeakPolarHBondContact OD1-CB 3.45Å; D169-S171 PolarHBondContact OD1-N 2.78Å; D169-S171 VanDerWaalsContact OD1-N 3.07Å; D169-S171 PolarHBondContact OD1-OG 3.26Å; D169-S171 PolarHBondContact OD2-OG 2.92Å
170L49.9Very low59.9Low69 Ų6958.9 Ų58.936%0.36135%0.345SS..  trans-137.930.1176.4-67.3165.5000109.8M1 W18 K168M1-L170 VanDerWaalsContact N-C 3.34Å; M1-L170 VanDerWaalsContact N-CB 3.29Å; M1-L170 PolarHBondContact N-O 3.42Å; M1-L170 WeakPolarHBondContact O-CB 3.43Å; M1-L170 WeakPolarHBondContact O-CD1 3.28Å; W18-L170 HydrophobicContact CZ3-CD1 4.39Å; K168-L170 HydrophobicContact CD-CD1 4.44Å; K168-L170 HydrophobicContact CD-CD2 4.09Å; K168-L170 HydrophobicContact CD-CG 4.21Å; K168-L170 HydrophobicContact CG-CD2 4.38Å; K168-L170 HydrophobicContact CG-CG 4.2Å
171S54.1Low60Low40 Ų4056.5 Ų56.528%0.2833%0.333SS..  trans-81.1129.6-172.870.10000113.1G66 D169G66-S171 PolarHBondContact N-OG 2.83Å; D169-S171 WeakPolarHBondContact OD1-CB 3.45Å; D169-S171 PolarHBondContact OD1-N 2.78Å; D169-S171 VanDerWaalsContact OD1-N 3.07Å; D169-S171 PolarHBondContact OD1-OG 3.26Å; D169-S171 PolarHBondContact OD2-OG 2.92Å
172T41.5Very low60.3Low126 Ų12655.6 Ų55.677%0.77332%0.323SS*.  trans-128.7119.4152.824.10000106.9K19K19-T172 PolarHBondContact NZ-O 3.43Å
173A34.6Very low60.3Low69 Ų6954.7 Ų54.757%0.5732%0.321SS*.  trans-83.4130.9-166.400000112T63T63-A173 HydrophobicContact CG2-CB 4.25Å
174V41.1Very low60.6Low97 Ų9755.3 Ų55.359%0.58832%0.323SS*.  trans-155.6137.1163.1-168.90000106.6K19K19-V174 PolarHBondContact NZ-O 2.9Å
175S42.3Very low60.8Low84 Ų8457.9 Ų57.959%0.58733%0.333SS*.SBendtrans-72.4147.3-175.455.70000113.3
176S48.2Very low60.8Low113 Ų11356.7 Ų56.779%0.7933%0.327SS*.SBendtrans7772.61711740000117.6
177L62.3Low60.2Low42 Ų4256 Ų5622%0.2233%0.326CS..  trans-147.5160.1-177.8-71.7169.7000114.9K19 S21 L179K19-L177 HydrophobicContact CD-CD1 4.3Å; K19-L177 HydrophobicContact CG-CB 4.38Å; K19-L177 HydrophobicContact CG-CD1 4.41Å; S21-L177 WeakPolarHBondContact O-CD2 3.48Å; L177-L179 WeakPolarHBondContact O-CD1 2.99Å
178M71.5Confident59.8Low5 Ų555 Ų553%0.02533%0.327CS..EExtended strand (participates in β ladder)trans-80.1140.5177.3172163-91.500111.5Y20 Y24 V27 L54 L56Y20-M178 PolarHBondContact N-O 3.33Å; Y24-M178 HydrophobicContact CD1-CE 3.78Å; Y24-M178 HydrophobicContact CD1-SD 3.62Å; Y24-M178 HydrophobicContact CD2-CE 4.23Å; Y24-M178 HydrophobicContact CD2-SD 4.43Å; Y24-M178 HydrophobicContact CE1-CE 3.18Å; Y24-M178 HydrophobicContact CE1-SD 3.68Å; Y24-M178 HydrophobicContact CE2-CE 3.68Å; Y24-M178 HydrophobicContact CE2-SD 4.46Å; Y24-M178 HydrophobicContact CG-CE 4.27Å; Y24-M178 HydrophobicContact CG-SD 4.03Å; Y24-M178 WeakPolarHBondContact OH-CE 3.34Å; V27-M178 HydrophobicContact CG2-CG 4.29Å; V27-M178 HydrophobicContact CG2-SD 3.73Å; L54-M178 HydrophobicContact CD2-CG 4.06Å; L54-M178 HydrophobicContact CD2-SD 3.98Å; L56-M178 HydrophobicContact CD2-CB 4.18Å; L56-M178 HydrophobicContact CD2-CE 4.03Å
179L75.8Confident59Low7 Ų755.4 Ų55.44%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-125.9155.6-176.3-58.389.2000111.2M1 L17 W18 L54 M55 F109 L177M1-L179 HydrophobicContact CE-CB 4.03Å; M1-L179 HydrophobicContact CE-CD2 3.27Å; M1-L179 HydrophobicContact CE-CG 3.55Å; M1-L179 HydrophobicContact SD-CD2 3.45Å; M1-L179 WeakPolarHBondContact SD-CD2 3.38Å; M1-L179 HydrophobicContact SD-CG 4.31Å; L17-L179 HydrophobicContact CD1-CB 4.14Å; L17-L179 HydrophobicContact CD1-CD2 3.75Å; L17-L179 HydrophobicContact CD2-CD2 4.05Å; L17-L179 HydrophobicContact CG-CD2 4Å; W18-L179 CarbonylContact O-C 3.51Å; W18-L179 WeakPolarHBondContact O-CA 3.14Å; L54-L179 CarbonylContact C-O 3.58Å; L54-L179 WeakPolarHBondContact CA-O 3.22Å; M55-L179 HydrophobicContact CE-CB 4.32Å; M55-L179 PolarHBondContact N-O 3.16Å; M55-L179 PolarHBondContact O-N 2.91Å; F109-L179 HydrophobicContact CD1-CD1 3.85Å; F109-L179 HydrophobicContact CD1-CD2 3.77Å; F109-L179 HydrophobicContact CD1-CG 4.44Å; F109-L179 HydrophobicContact CE1-CD1 3.96Å; F109-L179 HydrophobicContact CE1-CD2 3.3Å; F109-L179 HydrophobicContact CE1-CG 4.32Å; F109-L179 HydrophobicContact CZ-CD2 3.78Å; L177-L179 WeakPolarHBondContact O-CD1 2.99Å
180T76.1Confident58Low1 Ų160.3 Ų60.31%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-114.4137.5159.451.80000111.6L17 W18 Y20 N52 S53 L54L17-T180 CarbonylContact C-O 3.54Å; L17-T180 VanDerWaalsContact CA-O 3.3Å; L17-T180 WeakPolarHBondContact CA-O 3.22Å; W18-T180 WeakPolarHBondContact CB-OG1 3.25Å; W18-T180 PolarHBondContact N-O 2.91Å; W18-T180 PolarHBondContact O-N 3.44Å; Y20-T180 HydrophobicContact CD2-CG2 4.42Å; Y20-T180 HydrophobicContact CE2-CG2 3.5Å; Y20-T180 VanDerWaalsContact CE2-CG2 3.5Å; N52-T180 WeakPolarHBondContact OD1-CB 3.41Å; S53-T180 CarbonylContact O-C 3.56Å; S53-T180 WeakPolarHBondContact O-CA 3.43Å; L54-T180 HydrophobicContact CD2-CG2 3.2Å; L54-T180 HydrophobicContact CG-CG2 3.78Å
181L72.2Confident57.4Low17 Ų1765.5 Ų65.59%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-104.6117.3164.9-172.767.5000108.2V15 H16 L17 N52 S53 M55 L75 N120V15-L181 HydrophobicContact CG1-CD1 3.37Å; V15-L181 HydrophobicContact CG1-CG 4.27Å; H16-L181 WeakPolarHBondContact O-CA 3.3Å; L17-L181 HydrophobicContact CD1-CD1 4.36Å; N52-L181 WeakPolarHBondContact CA-O 3.08Å; S53-L181 PolarHBondContact N-O 2.96Å; S53-L181 PolarHBondContact O-N 2.98Å; M55-L181 HydrophobicContact CE-CB 3.57Å; M55-L181 HydrophobicContact SD-CB 3.76Å; M55-L181 HydrophobicContact SD-CD2 4.3Å; L75-L181 HydrophobicContact CD2-CD2 4.24Å; N120-L181 HydrophobicContact CB-CD2 4.47Å
182K76.8Confident56.3Low26 Ų2674.6 Ų74.611%0.11342%0.422CS..EExtended strand (participates in β ladder)trans-114125.2175.5-69.4-175164.3-147.20110.1V15 H16 N51 N52 Y184V15-K182 CarbonylContact C-O 3.54Å; V15-K182 WeakPolarHBondContact CA-O 3.21Å; H16-K182 HydrophobicContact CB-CB 4.38Å; H16-K182 PolarHBondContact N-O 3.45Å; H16-K182 PolarHBondContact O-N 2.88Å; N51-K182 VanDerWaalsContact O-CA 3.3Å; N51-K182 WeakPolarHBondContact O-CA 3.46Å; N52-K182 HydrophobicContact CB-CG 3.87Å; N52-K182 VanDerWaalsContact CG-CE 3.45Å; N52-K182 WeakPolarHBondContact ND2-CE 3.41Å; N52-K182 WeakPolarHBondContact OD1-CE 3.33Å; N52-K182 WeakPolarHBondContact OD1-CG 3.45Å; K182-Y184 HydrophobicContact CB-CD2 4.44Å; K182-Y184 HydrophobicContact CB-CE2 3.71Å; K182-Y184 HydrophobicContact CD-CE2 4.22Å; K182-Y184 WeakPolarHBondContact CD-OH 3.22Å; K182-Y184 PolarHBondContact NZ-OH 2.84Å
183A75Confident57.1Low11 Ų1172 Ų729%0.09140%0.404CS..EExtended strand (participates in β ladder)trans-113138.1168.400000110.3M13 A14 V15 R50 N51M13-A183 HydrophobicContact CG-CB 4.19Å; M13-A183 HydrophobicContact SD-CB 3.95Å; A14-A183 CarbonylContact O-C 3.44Å; A14-A183 VanDerWaalsContact O-CA 3.3Å; A14-A183 WeakPolarHBondContact O-CA 3.31Å; V15-A183 HydrophobicContact CG2-CB 4.3Å; R50-A183 WeakPolarHBondContact CA-O 3.36Å; N51-A183 PolarHBondContact N-O 3.5Å; N51-A183 PolarHBondContact O-N 2.96Å; N51-A183 WeakPolarHBondContact OD1-CA 3.43Å; N51-A183 WeakPolarHBondContact OD1-CB 3.49Å; N51-A183 PolarHBondContact OD1-N 3.07Å; N51-A183 PolarHBondContact OD1-O 3.26Å
184Y72.6Confident58.3Low33 Ų3372.2 Ų72.213%0.12940%0.395CS..EExtended strand (participates in β ladder)trans-123.8120.5178.1-62.3-99.3000108M13 A14 H16 F43 R50 K182M13-Y184 CarbonylContact C-O 3.57Å; M13-Y184 VanDerWaalsContact CA-O 3.22Å; M13-Y184 WeakPolarHBondContact CA-O 3.47Å; A14-Y184 PolarHBondContact N-O 3.02Å; A14-Y184 PolarHBondContact O-N 3.13Å; H16-Y184 AromaticContact CD2-CD2 3.45Å; H16-Y184 VanDerWaalsContact CD2-CD2 3.45Å; H16-Y184 WeakPolarHBondContact CD2-CD2 3.43Å; H16-Y184 AromaticContact CD2-CE2 3.39Å; H16-Y184 WeakPolarHBondContact CD2-CE2 3.37Å; H16-Y184 AromaticContact NE2-CD2 3.66Å; H16-Y184 AromaticContact NE2-CE2 3.81Å; F43-Y184 HydrophobicContact CD1-CD1 4.01Å; F43-Y184 HydrophobicContact CD1-CE1 4.24Å; F43-Y184 AromaticContact CE1-CD1 3.63Å; F43-Y184 HydrophobicContact CE1-CD1 3.63Å; F43-Y184 HydrophobicContact CE1-CE1 4.2Å; F43-Y184 AromaticContact CE1-CG 3.98Å; F43-Y184 HydrophobicContact CE1-CG 3.98Å; R50-Y184 HydrophobicContact CB-CD1 4.36Å; R50-Y184 VanDerWaalsContact CD-CD1 3.45Å; R50-Y184 HydrophobicContact CG-CD1 3.68Å; R50-Y184 HydrophobicContact CG-CE1 4.17Å; K182-Y184 HydrophobicContact CB-CD2 4.44Å; K182-Y184 HydrophobicContact CB-CE2 3.71Å; K182-Y184 HydrophobicContact CD-CE2 4.22Å; K182-Y184 WeakPolarHBondContact CD-OH 3.22Å; K182-Y184 PolarHBondContact NZ-OH 2.84Å
185H73Confident59.2Low60 Ų6070.8 Ų70.828%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-92.8113.4170.9-159.4-45000108.8Q11 K48 D49Q11-H185 PolarHBondContact O-CE1 3.3Å; K48-H185 PolarHBondContact N-O 3.03Å; D49-H185 HydrophobicContact CB-CB 4.2Å; D49-H185 PolarHBondContact O-N 3.49Å
186L66.8Low60.2Low47 Ų4770 Ų7025%0.24637%0.373CS..EExtended strand (participates in β ladder)trans-83.9144.8-177.6-67.4166.4000111.3D12 F43D12-L186 HydrophobicContact CB-CB 4.35Å; D12-L186 WeakPolarHBondContact O-CB 3.48Å; D12-L186 PolarHBondContact O-N 3.44Å; F43-L186 HydrophobicContact CE1-CD2 3.72Å; F43-L186 HydrophobicContact CE2-CD2 3.58Å; F43-L186 HydrophobicContact CZ-CD1 4.04Å; F43-L186 HydrophobicContact CZ-CD2 3.12Å; F43-L186 HydrophobicContact CZ-CG 4.02Å
187C55.8Low61Low30 Ų3067.3 Ų67.320%0.20335%0.347CS..  trans-85117.9169.5-164.90000109.1Y46 K48 Q189Y46-C187 WeakPolarHBondContact O-CB 3.19Å; Y46-C187 PolarHBondContact O-N 3.42Å; K48-C187 HydrophobicContact CD-CB 4.3Å; K48-C187 WeakPolarHBondContact CE-SG 3.39Å; K48-C187 HydrophobicContact CG-CB 3.69Å; C187-Q189 PolarHBondContact O-N 3.06Å; C187-Q189 VanDerWaalsContact O-N 3.08Å
188C48.8Very low60.9Low85 Ų8569 Ų6957%0.57436%0.355SS*.  trans-728.1174.9-68.40000114.4D12 F190D12-C188 PolarHBondContact OD2-SG 2.96Å; C188-F190 PolarHBondContact O-N 2.82Å
189Q41.6Very low60.1Low134 Ų13473.6 Ų73.663%0.62638%0.379SS*.  trans-77.2112.9174.6-71.5-176.7-28.200108.8C187C187-Q189 PolarHBondContact O-N 3.06Å; C187-Q189 VanDerWaalsContact O-N 3.08Å
190F38Very low58.9Low171 Ų17178.7 Ų78.775%0.7541%0.405SS*.  trans8770.1167.6-47.8-75000116.9C188C188-F190 PolarHBondContact O-N 2.82Å
191L37.2Very low57.5Low177 Ų17785.2 Ų85.293%0.92744%0.438SS*.  trans-112.177.3138.7-71.3172.9000107.6
192N31.9Very low56.1Low231 Ų23191.4 Ų91.4100%1.23547%0.47SS*.  trans-139.20160.8-94.3-8.4000107.3

Retrieved 192 of 192 residues in 157.7 ms (Link to these results)

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