A0A077Z8B0_TRITR Loading...

Adenosine kinase

ATP dependent phosphorylation of adenosine and other related nucleoside analogs to monophosphate derivatives.

AlphaFold DB , UniProt , Accession A0A077Z8B0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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
1M71.4Confident93.9Very high208 Ų20844.7 Ų44.7100%1.02521%0.214SC*.  0141.80-70.6-162.7-159.400108.5K77M1-K77 PolarHBondContact SD-NZ 3.44Å
2P82.7Confident94.2Very high19 Ų1941.7 Ų41.712%0.12320%0.2CC..PPolyproline II helixtrans-67.2133.6-179.923.5-28.8000111.1L6 I75 K77 V80 V304P2-L6 HydrophobicContact CB-CD2 4.28Å; P2-I75 HydrophobicContact CB-CG2 4.36Å; P2-I75 HydrophobicContact CG-CG2 3.75Å; P2-K77 HydrophobicContact CG-CD 4.32Å; P2-V80 HydrophobicContact CB-CG1 3.79Å; P2-V80 HydrophobicContact CB-CG2 4.04Å; P2-V80 HydrophobicContact CG-CG2 4.37Å; P2-V304 HydrophobicContact CB-CG1 3.79Å; P2-V304 HydrophobicContact CG-CG1 4.03Å
3R92.9Very high94.5Very high108 Ų10838.5 Ų38.541%0.40818%0.184SC..PPolyproline II helixtrans-88.8160.2172.564.9-178.2-179.9109.2-4110.5L6 Q154 E156R3-L6 HydrophobicContact CG-CB 4.35Å; R3-L6 HydrophobicContact CG-CD1 4.23Å; R3-L6 WeakPolarHBondContact O-CB 3.47Å; R3-Q154 VanDerWaalsContact CZ-O 3.28Å; R3-Q154 PolarHBondContact NH1-O 3.09Å; R3-Q154 VanDerWaalsContact NH1-O 3.16Å; R3-Q154 PolarHBondContact NH2-O 3.11Å; R3-E156 IonicContact CZ-OE1 3.54Å; R3-E156 IonicContact NH2-OE1 2.77Å; R3-E156 PolarHBondContact NH2-OE1 2.86Å
4K95.9Very high94.8Very high117 Ų11736.6 Ų36.651%0.50918%0.176SC..THydrogen-bonded Turntrans-59146.7172.9-67.3-168.4173.4-155.10110.8L6 D79 Q154K4-L6 VanDerWaalsContact C-N 3.31Å; K4-L6 PolarHBondContact O-N 3.16Å; K4-D79 CarbonylContact C-O 3.52Å; K4-D79 VanDerWaalsContact CA-O 3.26Å; K4-D79 WeakPolarHBondContact CA-O 3.39Å; K4-D79 HydrophobicContact CB-CB 4.47Å; K4-D79 WeakPolarHBondContact CB-O 3.49Å; K4-D79 HydrophobicContact CD-CB 3.89Å; K4-D79 HydrophobicContact CG-CB 4.08Å; K4-D79 IonicContact NZ-OD2 3.43Å; K4-D79 PolarHBondContact NZ-OD2 3.33Å; K4-Q154 PolarHBondContact O-NE2 2.74Å
5G97.6Very high94.9Very high14 Ų1434.1 Ų34.114%0.14416%0.164CC..THydrogen-bonded Turntrans60.833.8175.700000114.2D79 V80 A155G5-D79 PolarHBondContact N-O 2.57Å; G5-V80 CarbonylContact C-O 3.5Å; G5-V80 PolarHBondContact N-O 2.85Å; G5-A155 WeakPolarHBondContact O-CA 3.48Å; G5-A155 PolarHBondContact O-N 3.45Å
6L98.2Very high95Very high15 Ų1533.3 Ų33.38%0.07916%0.16CC..  trans-78.8-35.7-178.3-175.761.1000112.4P2 R3 K4 V80 E156 Y157 I303P2-L6 HydrophobicContact CB-CD2 4.28Å; R3-L6 HydrophobicContact CG-CB 4.35Å; R3-L6 HydrophobicContact CG-CD1 4.23Å; R3-L6 WeakPolarHBondContact O-CB 3.47Å; K4-L6 VanDerWaalsContact C-N 3.31Å; K4-L6 PolarHBondContact O-N 3.16Å; L6-V80 HydrophobicContact CB-CG1 4.14Å; L6-V80 PolarHBondContact N-O 3.2Å; L6-E156 HydrophobicContact CD1-CB 3.84Å; L6-E156 HydrophobicContact CD1-CG 3.67Å; L6-E156 PolarHBondContact O-N 2.75Å; L6-Y157 HydrophobicContact CD1-CD2 4.18Å; L6-Y157 HydrophobicContact CD1-CE2 4.21Å; L6-Y157 HydrophobicContact CG-CD2 4.07Å; L6-Y157 HydrophobicContact CG-CE2 4.31Å; L6-Y157 PolarHBondContact O-N 2.73Å; L6-I303 HydrophobicContact CD2-CB 4.21Å; L6-I303 HydrophobicContact CD2-CD1 4.13Å; L6-I303 HydrophobicContact CD2-CG1 4.09Å; L6-I303 WeakPolarHBondContact CD2-O 3.43Å; L6-I303 HydrophobicContact CG-CB 4.49Å; L6-I303 HydrophobicContact CG-CD1 4.43Å
7L98.8Very high95Very high0 Ų031.8 Ų31.80%015%0.153CC..EExtended strand (participates in β ladder)trans-118.4135-179.8174.863.1000110.3M68 A71 V80 V81 G82 Y157 M187 L299 I303L7-M68 HydrophobicContact CD1-SD 4.5Å; L7-M68 HydrophobicContact CD2-CE 4.05Å; L7-M68 HydrophobicContact CD2-SD 3.84Å; L7-M68 HydrophobicContact CG-SD 3.94Å; L7-A71 HydrophobicContact CD2-CB 4.25Å; L7-V80 PolarHBondContact N-O 2.75Å; L7-V81 HydrophobicContact CB-CG1 4.29Å; L7-V81 HydrophobicContact CB-CG2 4.28Å; L7-V81 HydrophobicContact CD2-CG1 3.97Å; L7-V81 HydrophobicContact CD2-CG2 4.05Å; L7-V81 HydrophobicContact CG-CG1 4.03Å; L7-V81 CarbonylContact O-C 3.57Å; L7-V81 WeakPolarHBondContact O-CA 3.31Å; L7-G82 PolarHBondContact O-N 3.49Å; L7-Y157 WeakPolarHBondContact CA-O 3.26Å; L7-M187 HydrophobicContact CD1-CE 3.97Å; L7-L299 HydrophobicContact CD2-CB 4.13Å; L7-L299 HydrophobicContact CD2-CD1 4.19Å; L7-I303 HydrophobicContact CB-CD1 3.89Å; L7-I303 HydrophobicContact CB-CG2 4.36Å; L7-I303 HydrophobicContact CD1-CG2 4.33Å; L7-I303 HydrophobicContact CD2-CD1 4.3Å; L7-I303 HydrophobicContact CD2-CG2 4.4Å
8L98.9Very high95Very high6 Ų630.3 Ų30.33%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-122.7127.9172.4-72.7177.7000112G82 F84 M108 A151 I152 A155 Y157 Y158 Y159L8-G82 WeakPolarHBondContact CA-O 3.45Å; L8-F84 HydrophobicContact CD1-CE2 4.1Å; L8-F84 HydrophobicContact CD2-CE2 4.24Å; L8-M108 HydrophobicContact CD2-CE 3.57Å; L8-A151 HydrophobicContact CD1-CB 4.48Å; L8-A151 WeakPolarHBondContact CD1-O 3.27Å; L8-I152 HydrophobicContact CD1-CG1 4.21Å; L8-A155 HydrophobicContact CB-CB 4.28Å; L8-A155 HydrophobicContact CD1-CB 3.54Å; L8-A155 HydrophobicContact CG-CB 3.62Å; L8-Y157 PolarHBondContact N-O 3.28Å; L8-Y158 HydrophobicContact CB-CD1 3.93Å; L8-Y158 HydrophobicContact CB-CE1 4.35Å; L8-Y158 HydrophobicContact CD1-CD1 4.36Å; L8-Y158 HydrophobicContact CD1-CE1 3.97Å; L8-Y158 CarbonylContact O-C 3.57Å; L8-Y158 VanDerWaalsContact O-CA 3.25Å; L8-Y158 WeakPolarHBondContact O-CA 3.47Å; L8-Y159 PolarHBondContact O-N 2.79Å
9G98.8Very high95Very high2 Ų228.8 Ų28.82%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-97.8149.1168.500000112.2G82 Y83 F84 Y159G9-G82 PolarHBondContact N-O 2.95Å; G9-Y83 CarbonylContact O-C 3.59Å; G9-Y83 WeakPolarHBondContact O-CA 3.48Å; G9-F84 PolarHBondContact O-N 3.27Å; G9-Y159 VanDerWaalsContact CA-O 3.27Å; G9-Y159 WeakPolarHBondContact CA-O 3.29Å
10L98.9Very high94.8Very high3 Ų333 Ų332%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-132.6133.3164.5173.563.7000109.2T64 F84 F138 L143 Y159 I160 F164 I175L10-T64 WeakPolarHBondContact O-CG2 3.38Å; L10-T64 PolarHBondContact O-OG1 2.91Å; L10-F84 WeakPolarHBondContact CA-O 2.93Å; L10-F84 HydrophobicContact CB-CB 4.38Å; L10-F84 HydrophobicContact CD1-CB 3.48Å; L10-F84 VanDerWaalsContact CD1-CB 3.48Å; L10-F138 HydrophobicContact CD1-CD1 4.34Å; L10-F138 HydrophobicContact CD1-CD2 4.49Å; L10-F138 HydrophobicContact CD1-CE1 3.79Å; L10-F138 HydrophobicContact CD1-CE2 3.97Å; L10-F138 HydrophobicContact CD1-CZ 3.58Å; L10-L143 HydrophobicContact CD2-CD1 4.31Å; L10-Y159 PolarHBondContact N-O 2.81Å; L10-Y159 VanDerWaalsContact N-O 3.13Å; L10-I160 HydrophobicContact CB-CD1 3.98Å; L10-I160 HydrophobicContact CB-CG1 4.01Å; L10-I160 HydrophobicContact CD2-CD1 3.97Å; L10-I160 HydrophobicContact CG-CD1 4.37Å; L10-F164 HydrophobicContact CD1-CD1 4.47Å; L10-F164 HydrophobicContact CD1-CE1 3.74Å; L10-F164 HydrophobicContact CD1-CE2 4.2Å; L10-F164 HydrophobicContact CD1-CZ 3.58Å; L10-F164 HydrophobicContact CD2-CD1 3.99Å; L10-F164 HydrophobicContact CD2-CE1 3.5Å; L10-F164 VanDerWaalsContact CD2-CE1 3.5Å; L10-F164 HydrophobicContact CD2-CZ 4.21Å; L10-F164 HydrophobicContact CG-CD1 3.78Å; L10-F164 HydrophobicContact CG-CE1 3.44Å; L10-F164 VanDerWaalsContact CG-CE1 3.44Å; L10-F164 HydrophobicContact CG-CE2 4.46Å; L10-F164 HydrophobicContact CG-CG 4.43Å; L10-F164 HydrophobicContact CG-CZ 3.82Å; L10-I175 HydrophobicContact CD2-CG1 4.29Å
11G98.5Very high94.8Very high0 Ų032 Ų320%016%0.155CC..  trans-176.5-167.5-177.900000114.9P13 Y83 F84 G85 F164G11-P13 WeakPolarHBondContact O-CD 3.08Å; G11-Y83 VanDerWaalsContact C-OH 3.23Å; G11-Y83 PolarHBondContact O-OH 2.95Å; G11-F84 PolarHBondContact N-O 3.07Å; G11-F84 VanDerWaalsContact N-O 3.1Å; G11-G85 WeakPolarHBondContact O-CA 3.45Å; G11-F164 WeakPolarHBondContact O-CE2 3.41Å
12N98.3Very high95.8Very high8 Ų825.5 Ų25.54%0.04312%0.124CC..  trans-95.6103178.2-65.8-30.7000110.4L14 G62 L132 A135 F163 F164 S167N12-L14 HydrophobicContact CB-CG 4.32Å; N12-L14 PolarHBondContact O-N 3.19Å; N12-G62 VanDerWaalsContact O-CA 3.22Å; N12-G62 WeakPolarHBondContact O-CA 3.46Å; N12-L132 HydrophobicContact CB-CD2 4.36Å; N12-A135 HydrophobicContact CB-CB 3.97Å; N12-F163 PolarHBondContact ND2-O 3.43Å; N12-F164 WeakPolarHBondContact OD1-CD2 3.44Å; N12-S167 VanDerWaalsContact CG-OG 3.31Å; N12-S167 PolarHBondContact ND2-OG 3.15Å; N12-S167 WeakPolarHBondContact OD1-CB 3.48Å; N12-S167 PolarHBondContact OD1-OG 3.08Å
13P98.2Very high96.3Very high0 Ų027.9 Ų27.90%014%0.14CC..  trans-72.2118.1170.829-32.6000108.8G11 Y83 C86 V87 L96 Y109G11-P13 WeakPolarHBondContact O-CD 3.08Å; P13-Y83 HydrophobicContact CB-CE1 4.12Å; P13-Y83 WeakPolarHBondContact CD-OH 3.15Å; P13-C86 VanDerWaalsContact CG-O 3.31Å; P13-C86 WeakPolarHBondContact CG-O 3.06Å; P13-V87 HydrophobicContact CB-CG1 3.78Å; P13-V87 HydrophobicContact CG-CG1 3.43Å; P13-V87 VanDerWaalsContact CG-CG1 3.43Å; P13-L96 HydrophobicContact CB-CD1 4.11Å; P13-Y109 HydrophobicContact CB-CE1 3.85Å; P13-Y109 HydrophobicContact CG-CD1 4.3Å; P13-Y109 HydrophobicContact CG-CE1 4.02Å
14L97.9Very high96.4Very high12 Ų1228 Ų286%0.06315%0.149CC..EExtended strand (participates in β ladder)trans-126.1147.7-179.4-57.6176.1000109.5N12 G61 L96 C120 A130 L132 A135N12-L14 HydrophobicContact CB-CG 4.32Å; N12-L14 PolarHBondContact O-N 3.19Å; L14-G61 CarbonylContact O-C 3.6Å; L14-G61 WeakPolarHBondContact O-CA 3.16Å; L14-G61 PolarHBondContact O-N 3.44Å; L14-L96 VanDerWaalsContact O-CD2 3.23Å; L14-L96 WeakPolarHBondContact O-CD2 3.13Å; L14-C120 HydrophobicContact CD1-CB 4.38Å; L14-A130 HydrophobicContact CD1-CB 4.01Å; L14-L132 HydrophobicContact CD1-CD2 4.09Å; L14-L132 HydrophobicContact CD2-CD2 4.14Å; L14-A135 HydrophobicContact CD2-CB 4.43Å
15L97.1Very high96.4Very high0 Ų022.6 Ų22.60%013%0.126CC..EExtended strand (participates in β ladder)trans-91117.5166.7-168.973000109.2Y58 I59 F92 I95 L96 G118 A119 C120L15-Y58 HydrophobicContact CD2-CD1 3.62Å; L15-Y58 HydrophobicContact CD2-CE1 4.44Å; L15-Y58 HydrophobicContact CD2-CG 4.33Å; L15-Y58 HydrophobicContact CG-CD1 4.28Å; L15-I59 WeakPolarHBondContact CD1-O 3.46Å; L15-F92 HydrophobicContact CB-CB 4.4Å; L15-F92 HydrophobicContact CB-CD2 4.34Å; L15-F92 HydrophobicContact CB-CG 4.43Å; L15-F92 HydrophobicContact CD2-CB 3.91Å; L15-F92 HydrophobicContact CD2-CD1 3.35Å; L15-F92 HydrophobicContact CD2-CD2 3.65Å; L15-F92 HydrophobicContact CD2-CE1 3.63Å; L15-F92 HydrophobicContact CD2-CE2 3.91Å; L15-F92 HydrophobicContact CD2-CG 3.35Å; L15-F92 HydrophobicContact CD2-CZ 3.9Å; L15-I95 HydrophobicContact CD1-CB 4.44Å; L15-I95 HydrophobicContact CD1-CG2 3.83Å; L15-I95 HydrophobicContact CD2-CD1 4.49Å; L15-L96 HydrophobicContact CB-CD2 4.44Å; L15-L96 HydrophobicContact CD1-CD2 4.04Å; L15-G118 PolarHBondContact N-O 3.41Å; L15-A119 CarbonylContact O-C 3.57Å; L15-A119 WeakPolarHBondContact O-CA 3.43Å; L15-A119 WeakPolarHBondContact O-CB 3.38Å; L15-C120 PolarHBondContact O-N 3.02Å
16D95.9Very high96.3Very high20 Ų2022.8 Ų22.811%0.10712%0.123CC..EExtended strand (participates in β ladder)trans-76.7129.5176.5-62.7-16.6000108.8Y58 I59 G61 C120 V122D16-Y58 WeakPolarHBondContact O-CA 3.5Å; D16-I59 HydrophobicContact CB-CB 4.36Å; D16-I59 PolarHBondContact N-O 2.94Å; D16-I59 PolarHBondContact O-N 3.45Å; D16-G61 VanDerWaalsContact OD2-CA 3.24Å; D16-G61 WeakPolarHBondContact OD2-CA 3.46Å; D16-C120 CarbonylContact C-O 3.6Å; D16-C120 WeakPolarHBondContact CA-O 3.48Å; D16-C120 VanDerWaalsContact OD1-CB 3.29Å; D16-C120 WeakPolarHBondContact OD1-CB 3.44Å; D16-V122 HydrophobicContact CB-CG2 3.86Å
17I95.7Very high96.2Very high8 Ų829.4 Ų29.44%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-108.690.6173.6-56.7178000105.4F47 I50 V51 V56 Y58 A119 C120 V122I17-F47 HydrophobicContact CD1-CD1 4.16Å; I17-I50 HydrophobicContact CG2-CG2 4.11Å; I17-V51 HydrophobicContact CG2-CG2 3.94Å; I17-V56 HydrophobicContact CG2-CB 3.95Å; I17-V56 HydrophobicContact CG2-CG1 3.78Å; I17-V56 HydrophobicContact CG2-CG2 4.49Å; I17-Y58 HydrophobicContact CD1-CE1 4.08Å; I17-Y58 HydrophobicContact CG1-CD1 3.97Å; I17-Y58 HydrophobicContact CG1-CE1 3.82Å; I17-Y58 HydrophobicContact CG2-CE1 4.44Å; I17-A119 HydrophobicContact CD1-CB 4.02Å; I17-A119 HydrophobicContact CG1-CB 4.46Å; I17-C120 PolarHBondContact N-O 3.21Å; I17-V122 PolarHBondContact O-N 2.89Å
18E94.3Very high96.1Very high6 Ų635.3 Ų35.33%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-93.2133.6-172.8-169.2-172.3151.500110.8V56 Q57 I59 V122 S326E18-V56 CarbonylContact O-C 3.51Å; E18-V56 VanDerWaalsContact O-CA 3.26Å; E18-V56 WeakPolarHBondContact O-CA 3.16Å; E18-Q57 PolarHBondContact N-O 3.18Å; E18-Q57 PolarHBondContact O-N 3.17Å; E18-I59 WeakPolarHBondContact OE2-CD1 3.33Å; E18-V122 CarbonylContact C-O 3.58Å; E18-V122 VanDerWaalsContact CA-O 3.3Å; E18-V122 WeakPolarHBondContact CA-O 3.5Å; E18-V122 HydrophobicContact CB-CB 4.23Å; E18-V122 HydrophobicContact CG-CB 4.24Å; E18-V122 HydrophobicContact CG-CG1 4.09Å; E18-S326 PolarHBondContact OE1-OG 3.18Å; E18-S326 PolarHBondContact OE2-OG 2.75Å
19A94.3Very high96Very high2 Ų236.7 Ų36.72%0.01718%0.184CC..EExtended strand (participates in β ladder)trans-146.1147.9174.300000113.8V21 I50 V56 V122 F124A19-V21 HydrophobicContact CB-CG1 4.03Å; A19-V21 PolarHBondContact O-N 2.75Å; A19-V21 VanDerWaalsContact O-N 3.14Å; A19-I50 HydrophobicContact CB-CD1 3.86Å; A19-I50 HydrophobicContact CB-CG1 3.84Å; A19-V56 HydrophobicContact CB-CG1 4.15Å; A19-V122 PolarHBondContact N-O 3.24Å; A19-F124 PolarHBondContact O-N 3.43Å
20H92.6Very high95.8Very high111 Ų11142 Ų4251%0.51421%0.212SC..  trans-79.390.2165.1-64.3-98.8000109Y54 F124H20-Y54 WeakPolarHBondContact O-CD1 3.48Å; H20-F124 AromaticContact CE1-CD2 3.23Å; H20-F124 WeakPolarHBondContact CE1-CD2 3.39Å; H20-F124 AromaticContact CE1-CE2 3.56Å; H20-F124 AromaticContact CE1-CG 4Å; H20-F124 AromaticContact ND1-CD2 3.28Å; H20-F124 VanDerWaalsContact ND1-CD2 3.28Å; H20-F124 WeakPolarHBondContact ND1-CD2 3.15Å; H20-F124 AromaticContact ND1-CE2 3.85Å; H20-F124 AromaticContact ND1-CG 3.56Å
21V93.3Very high95.6Very high13 Ų1342.8 Ų42.88%0.07922%0.216CC..  trans-91.2166.9175.4-58.80000111.3A19 F25 L26 I50 Y54 T123 F125A19-V21 HydrophobicContact CB-CG1 4.03Å; A19-V21 PolarHBondContact O-N 2.75Å; A19-V21 VanDerWaalsContact O-N 3.14Å; V21-F25 HydrophobicContact CB-CB 3.76Å; V21-F25 HydrophobicContact CB-CD1 3.87Å; V21-F25 HydrophobicContact CB-CD2 4.48Å; V21-F25 HydrophobicContact CB-CG 3.78Å; V21-F25 HydrophobicContact CG1-CB 4.38Å; V21-F25 HydrophobicContact CG1-CD1 3.84Å; V21-F25 HydrophobicContact CG1-CD2 4.2Å; V21-F25 HydrophobicContact CG1-CE1 4.14Å; V21-F25 HydrophobicContact CG1-CE2 4.46Å; V21-F25 HydrophobicContact CG1-CG 3.87Å; V21-F25 HydrophobicContact CG1-CZ 4.43Å; V21-F25 HydrophobicContact CG2-CB 4.13Å; V21-F25 HydrophobicContact CG2-CD1 3.78Å; V21-F25 HydrophobicContact CG2-CG 4.15Å; V21-L26 HydrophobicContact CG2-CD2 4.36Å; V21-I50 HydrophobicContact CG1-CD1 4.19Å; V21-I50 HydrophobicContact CG1-CG1 4.14Å; V21-Y54 HydrophobicContact CB-CD1 4.39Å; V21-Y54 HydrophobicContact CB-CE1 4.04Å; V21-Y54 HydrophobicContact CG1-CD1 4.02Å; V21-Y54 HydrophobicContact CG1-CD2 4.1Å; V21-Y54 HydrophobicContact CG1-CE1 4.08Å; V21-Y54 HydrophobicContact CG1-CE2 4.14Å; V21-Y54 HydrophobicContact CG1-CG 4.03Å; V21-T123 HydrophobicContact CG2-CG2 3.66Å; V21-F125 HydrophobicContact CG2-CD2 4.27Å; V21-F125 HydrophobicContact CG2-CE2 4.41Å; V21-F125 WeakPolarHBondContact O-CE2 3.27Å
22D92.4Very high95.3Very high72 Ų7250.7 Ų50.739%0.38525%0.251SS..  trans-91.8173.5172.155.426.9000112.2D24 F25 Y54D22-D24 PolarHBondContact O-N 3.48Å; D22-D24 PolarHBondContact OD1-N 3.36Å; D22-F25 WeakPolarHBondContact O-CB 3.25Å; D22-F25 PolarHBondContact O-N 3.32Å; D22-F25 WeakPolarHBondContact OD1-CB 3.03Å; D22-F25 PolarHBondContact OD1-N 3.48Å; D22-Y54 PolarHBondContact OD1-OH 3.37Å; D22-Y54 VanDerWaalsContact OD1-OH 3.12Å; D22-Y54 PolarHBondContact OD2-OH 3.31Å
23C93Very high94.8Very high69 Ų6953.1 Ų53.147%0.46627%0.272SS..Hα-helixtrans-62.5-34.3175.8-62.80000111.8F25 L26 E27C23-F25 PolarHBondContact O-N 2.98Å; C23-L26 WeakPolarHBondContact O-CB 3.38Å; C23-L26 PolarHBondContact O-N 2.99Å; C23-E27 PolarHBondContact O-N 3.42Å
24D95.2Very high94.1Very high111 Ų11158.3 Ų58.359%0.59430%0.299SS*.Hα-helixtrans-60.7-34.7179.2-67.14.8000111.2D22 E27 K28D22-D24 PolarHBondContact O-N 3.48Å; D22-D24 PolarHBondContact OD1-N 3.36Å; D24-E27 PolarHBondContact O-N 3.25Å; D24-K28 WeakPolarHBondContact O-CB 3.39Å; D24-K28 PolarHBondContact O-N 3.09Å
25F96.3Very high93.6Very high3 Ų358.9 Ų58.91%0.01331%0.309CS..Hα-helixtrans-62.9-43172.6-173.7-88.7000112.5V21 D22 C23 K28 W29 L31 M46 D49 I50 Y54 T123V21-F25 HydrophobicContact CB-CB 3.76Å; V21-F25 HydrophobicContact CB-CD1 3.87Å; V21-F25 HydrophobicContact CB-CD2 4.48Å; V21-F25 HydrophobicContact CB-CG 3.78Å; V21-F25 HydrophobicContact CG1-CB 4.38Å; V21-F25 HydrophobicContact CG1-CD1 3.84Å; V21-F25 HydrophobicContact CG1-CD2 4.2Å; V21-F25 HydrophobicContact CG1-CE1 4.14Å; V21-F25 HydrophobicContact CG1-CE2 4.46Å; V21-F25 HydrophobicContact CG1-CG 3.87Å; V21-F25 HydrophobicContact CG1-CZ 4.43Å; V21-F25 HydrophobicContact CG2-CB 4.13Å; V21-F25 HydrophobicContact CG2-CD1 3.78Å; V21-F25 HydrophobicContact CG2-CG 4.15Å; D22-F25 WeakPolarHBondContact O-CB 3.25Å; D22-F25 PolarHBondContact O-N 3.32Å; D22-F25 WeakPolarHBondContact OD1-CB 3.03Å; D22-F25 PolarHBondContact OD1-N 3.48Å; C23-F25 PolarHBondContact O-N 2.98Å; F25-K28 PolarHBondContact O-N 2.91Å; F25-W29 AromaticContact CD2-CD1 3.78Å; F25-W29 AromaticContact CD2-NE1 3.88Å; F25-W29 AromaticContact CE1-CD1 3.78Å; F25-W29 AromaticContact CE2-CD1 3.54Å; F25-W29 AromaticContact CE2-NE1 3.46Å; F25-W29 AromaticContact CZ-CD1 3.53Å; F25-W29 AromaticContact CZ-NE1 3.8Å; F25-W29 PolarHBondContact O-N 3.33Å; F25-L31 HydrophobicContact CD1-CD1 4.48Å; F25-L31 HydrophobicContact CE1-CD1 4.12Å; F25-M46 HydrophobicContact CE1-CG 4.11Å; F25-M46 HydrophobicContact CE1-SD 4.16Å; F25-M46 HydrophobicContact CE2-CG 4.36Å; F25-M46 HydrophobicContact CZ-CG 3.52Å; F25-M46 HydrophobicContact CZ-SD 4.16Å; F25-D49 WeakPolarHBondContact CE2-OD2 3.16Å; F25-I50 HydrophobicContact CE1-CD1 4.39Å; F25-I50 HydrophobicContact CE2-CB 4.06Å; F25-I50 HydrophobicContact CE2-CG1 4.29Å; F25-I50 HydrophobicContact CZ-CB 3.84Å; F25-I50 HydrophobicContact CZ-CD1 4.05Å; F25-I50 HydrophobicContact CZ-CG1 3.98Å; F25-Y54 HydrophobicContact CD2-CD2 4.43Å; F25-Y54 AromaticContact CD2-CE2 3.58Å; F25-Y54 HydrophobicContact CD2-CE2 3.58Å; F25-Y54 HydrophobicContact CE2-CE2 4.05Å; F25-Y54 HydrophobicContact CG-CE2 4.39Å; F25-T123 HydrophobicContact CE1-CG2 4.37Å
26L95.8Very high93.4Very high18 Ų1860.3 Ų60.39%0.09432%0.32CS..Hα-helixtrans-63.4-44.6177.4-59.7-171000110.9V21 C23 W29 D30 L31 T123 F125V21-L26 HydrophobicContact CG2-CD2 4.36Å; C23-L26 WeakPolarHBondContact O-CB 3.38Å; C23-L26 PolarHBondContact O-N 2.99Å; L26-W29 PolarHBondContact O-N 2.87Å; L26-D30 WeakPolarHBondContact O-CA 3.27Å; L26-D30 PolarHBondContact O-N 3.38Å; L26-L31 HydrophobicContact CB-CB 4.35Å; L26-L31 HydrophobicContact CD2-CB 3.91Å; L26-L31 HydrophobicContact CD2-CD1 4.1Å; L26-L31 PolarHBondContact O-N 3.38Å; L26-T123 HydrophobicContact CD2-CG2 3.89Å; L26-F125 HydrophobicContact CD1-CB 3.9Å; L26-F125 HydrophobicContact CD1-CD1 4.47Å; L26-F125 HydrophobicContact CD1-CD2 3.63Å; L26-F125 HydrophobicContact CD1-CE2 4.22Å; L26-F125 HydrophobicContact CD1-CG 3.77Å; L26-F125 HydrophobicContact CD2-CD2 4.25Å; L26-F125 HydrophobicContact CG-CD2 4.02Å; L26-F125 HydrophobicContact CG-CE2 4.45Å
27E95.8Very high93.3Very high154 Ų15462.3 Ų62.372%0.7233%0.33SS*.Hα-helixtrans-63.6-45.2177.3-67.9-175.6-17500111.7C23 D24 W29 D30C23-E27 PolarHBondContact O-N 3.42Å; D24-E27 PolarHBondContact O-N 3.25Å; E27-W29 VanDerWaalsContact C-N 3.26Å; E27-W29 PolarHBondContact O-N 2.81Å; E27-D30 PolarHBondContact O-N 3.44Å
28K96.6Very high93.3Very high123 Ų12365 Ų6554%0.53534%0.344SS..Hα-helixtrans-56.5-39178.9178.3-178176.5-172.70112.6D24 F25 D49D24-K28 WeakPolarHBondContact O-CB 3.39Å; D24-K28 PolarHBondContact O-N 3.09Å; F25-K28 PolarHBondContact O-N 2.91Å; K28-D49 WeakPolarHBondContact CE-OD2 3.44Å; K28-D49 IonicContact NZ-OD1 2.95Å; K28-D49 PolarHBondContact NZ-OD1 2.99Å; K28-D49 IonicContact NZ-OD2 2.72Å; K28-D49 PolarHBondContact NZ-OD2 2.99Å
29W96.5Very high93.3Very high35 Ų3566.1 Ų66.113%0.13335%0.353CS..THydrogen-bonded Turntrans-105.69.2-175.7-62.8113.2000114.1F25 L26 E27 L31 K42 R43 P45 M46 D49F25-W29 AromaticContact CD2-CD1 3.78Å; F25-W29 AromaticContact CD2-NE1 3.88Å; F25-W29 AromaticContact CE1-CD1 3.78Å; F25-W29 AromaticContact CE2-CD1 3.54Å; F25-W29 AromaticContact CE2-NE1 3.46Å; F25-W29 AromaticContact CZ-CD1 3.53Å; F25-W29 AromaticContact CZ-NE1 3.8Å; F25-W29 PolarHBondContact O-N 3.33Å; L26-W29 PolarHBondContact O-N 2.87Å; E27-W29 VanDerWaalsContact C-N 3.26Å; E27-W29 PolarHBondContact O-N 2.81Å; W29-L31 VanDerWaalsContact C-N 3.31Å; W29-L31 HydrophobicContact CB-CD1 4.35Å; W29-L31 HydrophobicContact CB-CG 4.08Å; W29-L31 PolarHBondContact O-N 2.7Å; W29-K42 WeakPolarHBondContact CZ3-O 3.5Å; W29-R43 PolarHBondContact O-NE 2.86Å; W29-P45 HydrophobicContact CH2-CB 3.93Å; W29-P45 HydrophobicContact CZ3-CB 4.43Å; W29-M46 HydrophobicContact CB-CG 4.18Å; W29-M46 HydrophobicContact CB-SD 3.79Å; W29-M46 HydrophobicContact CD2-CB 3.54Å; W29-M46 HydrophobicContact CD2-CG 3.69Å; W29-M46 HydrophobicContact CD2-SD 4.4Å; W29-M46 HydrophobicContact CE3-CB 3.8Å; W29-M46 HydrophobicContact CE3-CG 4.41Å; W29-M46 HydrophobicContact CG-CB 3.97Å; W29-M46 HydrophobicContact CG-CG 3.55Å; W29-M46 HydrophobicContact CG-SD 3.85Å; W29-M46 HydrophobicContact CH2-CB 4.32Å; W29-M46 HydrophobicContact CZ2-CB 4.07Å; W29-M46 HydrophobicContact CZ3-CB 4.19Å; W29-D49 HydrophobicContact CZ2-CB 3.73Å; W29-D49 WeakPolarHBondContact CZ2-OD2 3.24Å; W29-D49 PolarHBondContact NE1-OD2 3.23Å
30D95.5Very high93.3Very high115 Ų11569 Ų6962%0.61537%0.368SS*.THydrogen-bonded Turntrans50.852.4179.9-179.646.1000111.1L26 E27 R43L26-D30 WeakPolarHBondContact O-CA 3.27Å; L26-D30 PolarHBondContact O-N 3.38Å; E27-D30 PolarHBondContact O-N 3.44Å; D30-R43 VanDerWaalsContact CB-NH2 3.32Å; D30-R43 VanDerWaalsContact CG-NH2 3.31Å; D30-R43 PolarHBondContact O-NH2 3.25Å; D30-R43 IonicContact OD2-CZ 3.75Å; D30-R43 IonicContact OD2-NH2 2.72Å; D30-R43 PolarHBondContact OD2-NH2 3.2Å
31L94.7Very high93.3Very high19 Ų1972.6 Ų72.610%0.09939%0.385CS..  trans-101.2147.2175.4-60.5-179.6000110F25 L26 W29 I37 M46 T123 C129F25-L31 HydrophobicContact CD1-CD1 4.48Å; F25-L31 HydrophobicContact CE1-CD1 4.12Å; L26-L31 HydrophobicContact CB-CB 4.35Å; L26-L31 HydrophobicContact CD2-CB 3.91Å; L26-L31 HydrophobicContact CD2-CD1 4.1Å; L26-L31 PolarHBondContact O-N 3.38Å; W29-L31 VanDerWaalsContact C-N 3.31Å; W29-L31 HydrophobicContact CB-CD1 4.35Å; W29-L31 HydrophobicContact CB-CG 4.08Å; W29-L31 PolarHBondContact O-N 2.7Å; L31-I37 HydrophobicContact CD2-CG2 4.11Å; L31-M46 HydrophobicContact CD1-SD 3.87Å; L31-M46 HydrophobicContact CD2-SD 4.5Å; L31-M46 HydrophobicContact CG-SD 4.49Å; L31-T123 HydrophobicContact CD1-CG2 4.3Å; L31-C129 HydrophobicContact CD2-CB 4.11Å
32K92Very high93.4Very high166 Ų16680 Ų8072%0.72242%0.416SS*.  trans-104.9140.8172.6-66-177.2179.1-179.20109.6D34 G35 S127K32-D34 PolarHBondContact O-N 3.2Å; K32-G35 PolarHBondContact O-N 3.37Å; K32-G35 VanDerWaalsContact O-N 3.08Å; K32-S127 VanDerWaalsContact O-CB 3.3Å; K32-S127 WeakPolarHBondContact O-CB 3.45Å; K32-S127 PolarHBondContact O-OG 3.26Å
33A87.6Confident93.6Very high58 Ų5877.6 Ų77.648%0.47940%0.401SS..THydrogen-bonded Turntrans-54138.5165.900000109.6G35 F125A33-G35 PolarHBondContact O-N 2.97Å; A33-F125 CarbonylContact C-O 3.55Å; A33-F125 WeakPolarHBondContact CA-O 3.25Å; A33-F125 HydrophobicContact CB-CB 4.24Å
34D84Confident93.6Very high109 Ų10976.5 Ų76.558%0.58340%0.397SS*.THydrogen-bonded Turntrans5411-175-57.6-56.9000115.3K32 F125 G126K32-D34 PolarHBondContact O-N 3.2Å; D34-F125 PolarHBondContact N-O 3.06Å; D34-G126 WeakPolarHBondContact CA-O 3.25Å
35G87.7Confident93.7Very high25 Ų2574.7 Ų74.726%0.25839%0.392SS..  trans-89.7142.7-178.900000112.3K32 A33 S127 L128K32-G35 PolarHBondContact O-N 3.37Å; K32-G35 VanDerWaalsContact O-N 3.08Å; A33-G35 PolarHBondContact O-N 2.97Å; G35-S127 WeakPolarHBondContact O-CA 3.26Å; G35-L128 PolarHBondContact O-N 3.36Å
36A92.3Very high93.7Very high30 Ų3074.5 Ų74.525%0.24839%0.391CS..EExtended strand (participates in β ladder)trans-113.3132.2172.100000111.8L128 A192 F194A36-L128 WeakPolarHBondContact CA-O 3.46Å; A36-L128 HydrophobicContact CB-CB 4.16Å; A36-L128 HydrophobicContact CB-CD1 4.4Å; A36-A192 HydrophobicContact CB-CB 4.17Å; A36-F194 HydrophobicContact CB-CE1 4.21Å; A36-F194 WeakPolarHBondContact O-CD1 3.32Å
37I94.1Very high93.8Very high61 Ų6174.5 Ų74.531%0.31339%0.39SS..EExtended strand (participates in β ladder)trans-140.1156.4178-165.8174.1000111.5L31 L128 C129 A130L31-I37 HydrophobicContact CD2-CG2 4.11Å; I37-L128 PolarHBondContact N-O 3.1Å; I37-C129 HydrophobicContact CG2-CB 3.98Å; I37-C129 WeakPolarHBondContact O-CA 3.26Å; I37-A130 PolarHBondContact O-N 3.42Å
38L94.5Very high93.7Very high64 Ų6472.1 Ų72.134%0.33538%0.382SS..EExtended strand (participates in β ladder)trans-84.7141.9167.3-64.6177.9000110.8D40 A130 L132 F194L38-D40 PolarHBondContact O-N 3.27Å; L38-A130 HydrophobicContact CD2-CB 4.31Å; L38-L132 HydrophobicContact CD2-CD1 3.83Å; L38-L132 HydrophobicContact CD2-CD2 4.31Å; L38-L132 HydrophobicContact CD2-CG 4Å; L38-F194 HydrophobicContact CD1-CE2 4.38Å; L38-F194 HydrophobicContact CG-CE2 4.24Å; L38-F194 HydrophobicContact CG-CZ 4.26Å
39C95.5Very high93.7Very high30 Ų3067.2 Ų67.220%0.20336%0.361CS..  trans-65.6126.7175.3-174.60000110.5A44 F47 A130 D131C39-A44 VanDerWaalsContact SG-CA 3.56Å; C39-A44 PolarHBondContact SG-N 3.17Å; C39-A44 VanDerWaalsContact SG-N 3.41Å; C39-F47 HydrophobicContact CB-CE2 3.99Å; C39-A130 WeakPolarHBondContact CB-O 3.32Å; C39-A130 PolarHBondContact N-O 3.26Å; C39-D131 HydrophobicContact CB-CB 3.83Å
40D93.8Very high93.7Very high62 Ų6265.5 Ų65.533%0.33236%0.355SS..  trans-104.6176.9169.462.98.7000110.7L38 K42 R43 A44L38-D40 PolarHBondContact O-N 3.27Å; D40-K42 PolarHBondContact O-N 2.69Å; D40-K42 VanDerWaalsContact O-N 3.16Å; D40-K42 WeakPolarHBondContact OD1-CB 3.32Å; D40-K42 PolarHBondContact OD1-N 3.49Å; D40-R43 PolarHBondContact O-N 3.34Å; D40-R43 VanDerWaalsContact O-N 3.11Å; D40-R43 WeakPolarHBondContact OD1-CB 3.41Å; D40-R43 WeakPolarHBondContact OD1-CG 3.41Å; D40-R43 PolarHBondContact OD1-N 2.82Å; D40-R43 IonicContact OD1-NH1 2.68Å; D40-R43 IonicContact OD2-NH1 2.82Å; D40-R43 PolarHBondContact OD2-NH1 3.23Å; D40-R43 VanDerWaalsContact OD2-NH1 3.09Å; D40-A44 PolarHBondContact O-N 3.35Å
41E93.3Very high93.8Very high188 Ų18862.6 Ų62.688%0.87934%0.341SS*.THydrogen-bonded Turntrans-57.5-30.2178.2-66.2-177.5172.100112.8
42K94.8Very high93.8Very high168 Ų16868 Ų6873%0.7337%0.366SS*.THydrogen-bonded Turntrans-72.2-35.7179.5-65.8179.2179.4176.80111.8W29 D40 P45W29-K42 WeakPolarHBondContact CZ3-O 3.5Å; D40-K42 PolarHBondContact O-N 2.69Å; D40-K42 VanDerWaalsContact O-N 3.16Å; D40-K42 WeakPolarHBondContact OD1-CB 3.32Å; D40-K42 PolarHBondContact OD1-N 3.49Å; K42-P45 WeakPolarHBondContact O-CD 3.32Å
43R95.9Very high94Very high21 Ų2165 Ų658%0.07936%0.358CS..THydrogen-bonded Turntrans-91.7-13.7-179.8-69.6172.1176.189.8-6.8113.3W29 D30 D40 P45 M46W29-R43 PolarHBondContact O-NE 2.86Å; D30-R43 VanDerWaalsContact CB-NH2 3.32Å; D30-R43 VanDerWaalsContact CG-NH2 3.31Å; D30-R43 PolarHBondContact O-NH2 3.25Å; D30-R43 IonicContact OD2-CZ 3.75Å; D30-R43 IonicContact OD2-NH2 2.72Å; D30-R43 PolarHBondContact OD2-NH2 3.2Å; D40-R43 PolarHBondContact O-N 3.34Å; D40-R43 VanDerWaalsContact O-N 3.11Å; D40-R43 WeakPolarHBondContact OD1-CB 3.41Å; D40-R43 WeakPolarHBondContact OD1-CG 3.41Å; D40-R43 PolarHBondContact OD1-N 2.82Å; D40-R43 IonicContact OD1-NH1 2.68Å; D40-R43 IonicContact OD2-NH1 2.82Å; D40-R43 PolarHBondContact OD2-NH1 3.23Å; D40-R43 VanDerWaalsContact OD2-NH1 3.09Å; R43-P45 VanDerWaalsContact C-CD 3.41Å; R43-P45 VanDerWaalsContact C-N 3.3Å; R43-M46 WeakPolarHBondContact O-CA 3.47Å; R43-M46 WeakPolarHBondContact O-CB 3.44Å; R43-M46 PolarHBondContact O-N 2.99Å
44A94.4Very high94.5Very high46 Ų4665 Ų6538%0.3835%0.346SS..THydrogen-bonded Turntrans-51.3-40.7177.700000114.1C39 D40 M46 F47C39-A44 VanDerWaalsContact SG-CA 3.56Å; C39-A44 PolarHBondContact SG-N 3.17Å; C39-A44 VanDerWaalsContact SG-N 3.41Å; D40-A44 PolarHBondContact O-N 3.35Å; A44-M46 PolarHBondContact O-N 3Å; A44-F47 PolarHBondContact O-N 3.48Å
45P96.7Very high95Very high73 Ų7368.9 Ų68.947%0.47436%0.357SS..THydrogen-bonded Turntrans-66.6-18.8176.3-20.534.1000114.8W29 K42 R43 F47 L48 D49W29-P45 HydrophobicContact CH2-CB 3.93Å; W29-P45 HydrophobicContact CZ3-CB 4.43Å; K42-P45 WeakPolarHBondContact O-CD 3.32Å; R43-P45 VanDerWaalsContact C-CD 3.41Å; R43-P45 VanDerWaalsContact C-N 3.3Å; P45-F47 PolarHBondContact O-N 3.45Å; P45-L48 PolarHBondContact O-N 3.49Å; P45-L48 VanDerWaalsContact O-N 3.12Å; P45-D49 PolarHBondContact O-N 3.24Å
46M96.9Very high95.3Very high0 Ų069.1 Ų69.10%035%0.354CS..Hα-helixtrans-58-36.2177.6-178.1-170.563.900112.3F25 W29 L31 R43 A44 L48 D49 I50 A121 C129F25-M46 HydrophobicContact CE1-CG 4.11Å; F25-M46 HydrophobicContact CE1-SD 4.16Å; F25-M46 HydrophobicContact CE2-CG 4.36Å; F25-M46 HydrophobicContact CZ-CG 3.52Å; F25-M46 HydrophobicContact CZ-SD 4.16Å; W29-M46 HydrophobicContact CB-CG 4.18Å; W29-M46 HydrophobicContact CB-SD 3.79Å; W29-M46 HydrophobicContact CD2-CB 3.54Å; W29-M46 HydrophobicContact CD2-CG 3.69Å; W29-M46 HydrophobicContact CD2-SD 4.4Å; W29-M46 HydrophobicContact CE3-CB 3.8Å; W29-M46 HydrophobicContact CE3-CG 4.41Å; W29-M46 HydrophobicContact CG-CB 3.97Å; W29-M46 HydrophobicContact CG-CG 3.55Å; W29-M46 HydrophobicContact CG-SD 3.85Å; W29-M46 HydrophobicContact CH2-CB 4.32Å; W29-M46 HydrophobicContact CZ2-CB 4.07Å; W29-M46 HydrophobicContact CZ3-CB 4.19Å; L31-M46 HydrophobicContact CD1-SD 3.87Å; L31-M46 HydrophobicContact CD2-SD 4.5Å; L31-M46 HydrophobicContact CG-SD 4.49Å; R43-M46 WeakPolarHBondContact O-CA 3.47Å; R43-M46 WeakPolarHBondContact O-CB 3.44Å; R43-M46 PolarHBondContact O-N 2.99Å; A44-M46 PolarHBondContact O-N 3Å; M46-L48 PolarHBondContact O-N 3Å; M46-D49 WeakPolarHBondContact O-CB 3.35Å; M46-D49 PolarHBondContact O-N 3.5Å; M46-I50 WeakPolarHBondContact O-CG2 3.44Å; M46-I50 PolarHBondContact O-N 3.09Å; M46-A121 HydrophobicContact CE-CB 3.49Å; M46-A121 VanDerWaalsContact CE-CB 3.49Å; M46-C129 HydrophobicContact CE-CB 3.66Å; M46-C129 VanDerWaalsContact CE-SG 3.56Å
47F96.4Very high95.3Very high18 Ų1871.9 Ų71.98%0.07936%0.362CS..Hα-helixtrans-64.9-31.7179.6-74.7-94.6000112.3I17 C39 A44 P45 I50 V51 A119 A121 C129 D131I17-F47 HydrophobicContact CD1-CD1 4.16Å; C39-F47 HydrophobicContact CB-CE2 3.99Å; A44-F47 PolarHBondContact O-N 3.48Å; P45-F47 PolarHBondContact O-N 3.45Å; F47-I50 WeakPolarHBondContact O-CG2 3.44Å; F47-V51 VanDerWaalsContact O-CG2 3.26Å; F47-V51 WeakPolarHBondContact O-CG2 3.38Å; F47-A119 HydrophobicContact CD1-CB 4.31Å; F47-A119 HydrophobicContact CE1-CB 3.96Å; F47-A121 HydrophobicContact CD1-CB 4.35Å; F47-A121 HydrophobicContact CE1-CB 3.93Å; F47-A121 HydrophobicContact CZ-CB 4.12Å; F47-C129 VanDerWaalsContact CZ-O 3.31Å; F47-C129 WeakPolarHBondContact CZ-O 3.32Å; F47-D131 HydrophobicContact CE1-CB 4.39Å; F47-D131 HydrophobicContact CE2-CB 3.96Å; F47-D131 HydrophobicContact CZ-CB 3.74Å
48L95.6Very high95.3Very high103 Ų10373.9 Ų73.954%0.53937%0.366SS..Hα-helixtrans-76.3-42.8172.3-174.862.8000110.8P45 M46 I50 V51 Q52P45-L48 PolarHBondContact O-N 3.49Å; P45-L48 VanDerWaalsContact O-N 3.12Å; M46-L48 PolarHBondContact O-N 3Å; L48-I50 PolarHBondContact O-N 3.22Å; L48-V51 PolarHBondContact O-N 3.32Å; L48-Q52 HydrophobicContact CD1-CG 4.08Å; L48-Q52 HydrophobicContact CG-CG 4.27Å; L48-Q52 WeakPolarHBondContact O-CB 3.37Å; L48-Q52 VanDerWaalsContact O-CG 3.3Å; L48-Q52 WeakPolarHBondContact O-CG 3.41Å; L48-Q52 PolarHBondContact O-N 3.39Å
49D96.5Very high95.2Very high20 Ų2071.8 Ų71.811%0.10736%0.355CS..Hα-helixtrans-57.5-46.9179.1-173.249.6000112.4F25 K28 W29 P45 M46 V51 Q52 N53F25-D49 WeakPolarHBondContact CE2-OD2 3.16Å; K28-D49 WeakPolarHBondContact CE-OD2 3.44Å; K28-D49 IonicContact NZ-OD1 2.95Å; K28-D49 PolarHBondContact NZ-OD1 2.99Å; K28-D49 IonicContact NZ-OD2 2.72Å; K28-D49 PolarHBondContact NZ-OD2 2.99Å; W29-D49 HydrophobicContact CZ2-CB 3.73Å; W29-D49 WeakPolarHBondContact CZ2-OD2 3.24Å; W29-D49 PolarHBondContact NE1-OD2 3.23Å; P45-D49 PolarHBondContact O-N 3.24Å; M46-D49 WeakPolarHBondContact O-CB 3.35Å; M46-D49 PolarHBondContact O-N 3.5Å; D49-V51 PolarHBondContact O-N 3.01Å; D49-Q52 PolarHBondContact O-N 3.45Å; D49-N53 WeakPolarHBondContact O-CB 3.27Å; D49-N53 PolarHBondContact O-N 3Å; D49-N53 PolarHBondContact O-ND2 3.43Å; D49-N53 VanDerWaalsContact O-ND2 3.14Å; D49-N53 PolarHBondContact OD1-ND2 3.19Å
50I96.7Very high95.1Very high0 Ų070.5 Ų70.50%035%0.347CS..Hα-helixtrans-64.2-42.8-179.7-160.4174.4000111.4I17 A19 V21 F25 M46 F47 L48 Y54 V56 A121I17-I50 HydrophobicContact CG2-CG2 4.11Å; A19-I50 HydrophobicContact CB-CD1 3.86Å; A19-I50 HydrophobicContact CB-CG1 3.84Å; V21-I50 HydrophobicContact CG1-CD1 4.19Å; V21-I50 HydrophobicContact CG1-CG1 4.14Å; F25-I50 HydrophobicContact CE1-CD1 4.39Å; F25-I50 HydrophobicContact CE2-CB 4.06Å; F25-I50 HydrophobicContact CE2-CG1 4.29Å; F25-I50 HydrophobicContact CZ-CB 3.84Å; F25-I50 HydrophobicContact CZ-CD1 4.05Å; F25-I50 HydrophobicContact CZ-CG1 3.98Å; M46-I50 WeakPolarHBondContact O-CG2 3.44Å; M46-I50 PolarHBondContact O-N 3.09Å; F47-I50 WeakPolarHBondContact O-CG2 3.44Å; L48-I50 PolarHBondContact O-N 3.22Å; I50-Y54 HydrophobicContact CG1-CD2 4.39Å; I50-Y54 WeakPolarHBondContact O-CB 3.43Å; I50-Y54 PolarHBondContact O-N 2.96Å; I50-Y54 VanDerWaalsContact O-N 3.07Å; I50-V56 HydrophobicContact CG1-CG1 4.37Å; I50-A121 HydrophobicContact CD1-CB 4.46Å
51V95.7Very high95.2Very high54 Ų5467.6 Ų67.633%0.32733%0.331SS..Hα-helixtrans-70.2-33.2-179.7173.20000112I17 F47 L48 D49 V56I17-V51 HydrophobicContact CG2-CG2 3.94Å; F47-V51 VanDerWaalsContact O-CG2 3.26Å; F47-V51 WeakPolarHBondContact O-CG2 3.38Å; L48-V51 PolarHBondContact O-N 3.32Å; D49-V51 PolarHBondContact O-N 3.01Å; V51-V56 HydrophobicContact CG2-CG1 4.26Å; V51-V56 HydrophobicContact CG2-CG2 4.45Å
52Q96.2Very high95.3Very high132 Ų13258.9 Ų58.962%0.61729%0.292SS*.Hα-helixtrans-80.6-36.1-179-74.7-178.2-13.400113.3L48 D49L48-Q52 HydrophobicContact CD1-CG 4.08Å; L48-Q52 HydrophobicContact CG-CG 4.27Å; L48-Q52 WeakPolarHBondContact O-CB 3.37Å; L48-Q52 VanDerWaalsContact O-CG 3.3Å; L48-Q52 WeakPolarHBondContact O-CG 3.41Å; L48-Q52 PolarHBondContact O-N 3.39Å; D49-Q52 PolarHBondContact O-N 3.45Å
53N96.5Very high95.4Very high103 Ų10351.6 Ų51.655%0.55126%0.262SS*.Hα-helixtrans-104.1-13.2-169.5-64.6-56.7000114D49D49-N53 WeakPolarHBondContact O-CB 3.27Å; D49-N53 PolarHBondContact O-N 3Å; D49-N53 PolarHBondContact O-ND2 3.43Å; D49-N53 VanDerWaalsContact O-ND2 3.14Å; D49-N53 PolarHBondContact OD1-ND2 3.19Å
54Y96.2Very high95.6Very high57 Ų5750.7 Ų50.722%0.22426%0.259CS..SBendtrans-128.1157.4-177.9-61.3-91.2000112.2H20 V21 D22 F25 I50 V56H20-Y54 WeakPolarHBondContact O-CD1 3.48Å; V21-Y54 HydrophobicContact CB-CD1 4.39Å; V21-Y54 HydrophobicContact CB-CE1 4.04Å; V21-Y54 HydrophobicContact CG1-CD1 4.02Å; V21-Y54 HydrophobicContact CG1-CD2 4.1Å; V21-Y54 HydrophobicContact CG1-CE1 4.08Å; V21-Y54 HydrophobicContact CG1-CE2 4.14Å; V21-Y54 HydrophobicContact CG1-CG 4.03Å; D22-Y54 PolarHBondContact OD1-OH 3.37Å; D22-Y54 VanDerWaalsContact OD1-OH 3.12Å; D22-Y54 PolarHBondContact OD2-OH 3.31Å; F25-Y54 HydrophobicContact CD2-CD2 4.43Å; F25-Y54 AromaticContact CD2-CE2 3.58Å; F25-Y54 HydrophobicContact CD2-CE2 3.58Å; F25-Y54 HydrophobicContact CE2-CE2 4.05Å; F25-Y54 HydrophobicContact CG-CE2 4.39Å; I50-Y54 HydrophobicContact CG1-CD2 4.39Å; I50-Y54 WeakPolarHBondContact O-CB 3.43Å; I50-Y54 PolarHBondContact O-N 2.96Å; I50-Y54 VanDerWaalsContact O-N 3.07Å; Y54-V56 PolarHBondContact O-N 3.01Å
55K94.5Very high95.8Very high191 Ų19148.5 Ų48.583%0.8324%0.241SC*.  trans-76.3108.2167.8-176.3-178.7178.1-174.70108.6
56V94.7Very high95.8Very high31 Ų3145.2 Ų45.219%0.18822%0.219CC..EExtended strand (participates in β ladder)trans-94.6150.6179.4-60.80000112.6I17 E18 A19 I50 V51 Y54 Y58I17-V56 HydrophobicContact CG2-CB 3.95Å; I17-V56 HydrophobicContact CG2-CG1 3.78Å; I17-V56 HydrophobicContact CG2-CG2 4.49Å; E18-V56 CarbonylContact O-C 3.51Å; E18-V56 VanDerWaalsContact O-CA 3.26Å; E18-V56 WeakPolarHBondContact O-CA 3.16Å; A19-V56 HydrophobicContact CB-CG1 4.15Å; I50-V56 HydrophobicContact CG1-CG1 4.37Å; V51-V56 HydrophobicContact CG2-CG1 4.26Å; V51-V56 HydrophobicContact CG2-CG2 4.45Å; Y54-V56 PolarHBondContact O-N 3.01Å; V56-Y58 HydrophobicContact CG2-CD2 4.5Å; V56-Y58 HydrophobicContact CG2-CE2 3.76Å
57Q93.2Very high95.9Very high88 Ų8845.2 Ų45.241%0.41122%0.219SC..EExtended strand (participates in β ladder)trans-111.6142.6162.6-58.5-172.128.900109.3E18 I59E18-Q57 PolarHBondContact N-O 3.18Å; E18-Q57 PolarHBondContact O-N 3.17Å; Q57-I59 HydrophobicContact CB-CG1 4.33Å
58Y93.1Very high96Very high103 Ų10344.4 Ų44.440%0.40422%0.216SC..EExtended strand (participates in β ladder)trans-104.1113.4174-65.7-84.1000108.9L15 D16 I17 V56 F92L15-Y58 HydrophobicContact CD2-CD1 3.62Å; L15-Y58 HydrophobicContact CD2-CE1 4.44Å; L15-Y58 HydrophobicContact CD2-CG 4.33Å; L15-Y58 HydrophobicContact CG-CD1 4.28Å; D16-Y58 WeakPolarHBondContact O-CA 3.5Å; I17-Y58 HydrophobicContact CD1-CE1 4.08Å; I17-Y58 HydrophobicContact CG1-CD1 3.97Å; I17-Y58 HydrophobicContact CG1-CE1 3.82Å; I17-Y58 HydrophobicContact CG2-CE1 4.44Å; V56-Y58 HydrophobicContact CG2-CD2 4.5Å; V56-Y58 HydrophobicContact CG2-CE2 3.76Å; Y58-F92 HydrophobicContact CD1-CZ 4.4Å; Y58-F92 HydrophobicContact CE1-CE1 4.33Å; Y58-F92 AromaticContact CE1-CZ 3.93Å; Y58-F92 HydrophobicContact CE1-CZ 3.93Å
59I92.7Very high96.2Very high20 Ų2040 Ų4010%0.10319%0.192CC..EExtended strand (participates in β ladder)trans-121.2138.4-176.3-56.2-173.5000108.8L15 D16 E18 Q57 G61L15-I59 WeakPolarHBondContact CD1-O 3.46Å; D16-I59 HydrophobicContact CB-CB 4.36Å; D16-I59 PolarHBondContact N-O 2.94Å; D16-I59 PolarHBondContact O-N 3.45Å; E18-I59 WeakPolarHBondContact OE2-CD1 3.33Å; Q57-I59 HydrophobicContact CB-CG1 4.33Å; I59-G61 PolarHBondContact O-N 3.04Å
60A94.1Very high96.2Very high3 Ų339.1 Ų39.13%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-67.1119.6173.400000109.7N66 R69 L96 K99A60-N66 PolarHBondContact O-OD1 3.42Å; A60-R69 PolarHBondContact O-NH1 3.26Å; A60-R69 VanDerWaalsContact O-NH1 3.12Å; A60-L96 HydrophobicContact CB-CD2 3.73Å; A60-K99 HydrophobicContact CB-CB 3.59Å; A60-K99 HydrophobicContact CB-CG 3.69Å
61G95.4Very high96.3Very high0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-125.1-158.4-172.900000113.6L14 D16 I59 Q65L14-G61 CarbonylContact O-C 3.6Å; L14-G61 WeakPolarHBondContact O-CA 3.16Å; L14-G61 PolarHBondContact O-N 3.44Å; D16-G61 VanDerWaalsContact OD2-CA 3.24Å; D16-G61 WeakPolarHBondContact OD2-CA 3.46Å; I59-G61 PolarHBondContact O-N 3.04Å; G61-Q65 WeakPolarHBondContact O-CB 3.27Å; G61-Q65 PolarHBondContact O-NE2 3.24Å
62G96.4Very high96.4Very high6 Ų636.7 Ų36.76%0.06217%0.172CC..  trans90.1122.5-171.700000112.4N12 T64 Q65 N66N12-G62 VanDerWaalsContact O-CA 3.22Å; N12-G62 WeakPolarHBondContact O-CA 3.46Å; G62-T64 PolarHBondContact O-N 3.15Å; G62-Q65 WeakPolarHBondContact O-CA 3.43Å; G62-Q65 WeakPolarHBondContact O-CB 3.32Å; G62-Q65 PolarHBondContact O-N 2.75Å; G62-N66 PolarHBondContact O-N 3.34Å
63S96.8Very high96.4Very high15 Ų1531.1 Ų31.111%0.10515%0.145CC..Hα-helixtrans-54.4-52.4-168.1172.30000114.5Q65 N66 S67 A161 D292S63-Q65 VanDerWaalsContact C-N 3.32Å; S63-Q65 PolarHBondContact O-N 3.4Å; S63-N66 PolarHBondContact O-N 2.92Å; S63-S67 PolarHBondContact O-N 3.13Å; S63-S67 PolarHBondContact O-OG 3.44Å; S63-A161 WeakPolarHBondContact OG-CB 3.31Å; S63-D292 VanDerWaalsContact CA-OD1 3.28Å; S63-D292 WeakPolarHBondContact CA-OD1 3.27Å; S63-D292 WeakPolarHBondContact CA-OD2 3.38Å; S63-D292 VanDerWaalsContact CB-OD1 3.25Å; S63-D292 WeakPolarHBondContact CB-OD1 3.47Å; S63-D292 PolarHBondContact OG-OD1 3.3Å
64T98.6Very high96.5Very high2 Ų226.7 Ų26.71%0.01212%0.122CC..Hα-helixtrans-62.2-41.5175.9-54.10000111.6L10 G62 N66 S67 M68 Y83 Y159 A161L10-T64 WeakPolarHBondContact O-CG2 3.38Å; L10-T64 PolarHBondContact O-OG1 2.91Å; G62-T64 PolarHBondContact O-N 3.15Å; T64-N66 PolarHBondContact O-N 2.74Å; T64-S67 PolarHBondContact O-N 3Å; T64-M68 HydrophobicContact CG2-CG 4.08Å; T64-M68 VanDerWaalsContact O-CG 3.26Å; T64-M68 WeakPolarHBondContact O-CG 3.39Å; T64-M68 PolarHBondContact O-N 2.64Å; T64-Y83 HydrophobicContact CG2-CD2 3.92Å; T64-Y83 HydrophobicContact CG2-CE2 3.56Å; T64-Y159 HydrophobicContact CG2-CD1 3.87Å; T64-Y159 HydrophobicContact CG2-CE1 4.14Å; T64-A161 WeakPolarHBondContact OG1-CB 3.4Å; T64-A161 PolarHBondContact OG1-N 3.21Å; T64-A161 VanDerWaalsContact OG1-N 3.12Å
65Q98.5Very high96.4Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-62.5-45.1-178.9-176170.4-78.600111.6G61 G62 S63 M68 R69 Y83 Y109G61-Q65 WeakPolarHBondContact O-CB 3.27Å; G61-Q65 PolarHBondContact O-NE2 3.24Å; G62-Q65 WeakPolarHBondContact O-CA 3.43Å; G62-Q65 WeakPolarHBondContact O-CB 3.32Å; G62-Q65 PolarHBondContact O-N 2.75Å; S63-Q65 VanDerWaalsContact C-N 3.32Å; S63-Q65 PolarHBondContact O-N 3.4Å; Q65-M68 PolarHBondContact O-N 3.28Å; Q65-R69 HydrophobicContact CG-CG 4.35Å; Q65-R69 WeakPolarHBondContact O-CB 3.44Å; Q65-R69 VanDerWaalsContact O-CG 3.27Å; Q65-R69 WeakPolarHBondContact O-CG 3.39Å; Q65-R69 PolarHBondContact O-N 2.98Å; Q65-Y83 HydrophobicContact CB-CD1 4.21Å; Q65-Y83 HydrophobicContact CB-CE1 3.54Å; Q65-Y83 HydrophobicContact CB-CE2 4.42Å; Q65-Y83 HydrophobicContact CG-CD1 4.09Å; Q65-Y83 HydrophobicContact CG-CE1 3.75Å; Q65-Y83 VanDerWaalsContact OE1-CE1 3.24Å; Q65-Y109 PolarHBondContact OE1-OH 2.9Å
66N98.1Very high96.4Very high4 Ų418.5 Ų18.52%0.02111%0.105CC..Hα-helixtrans-58.4-49.4175.7-74.4-15.9000110.9A60 G62 S63 T64 M68 R69 V70 D292 C328A60-N66 PolarHBondContact O-OD1 3.42Å; G62-N66 PolarHBondContact O-N 3.34Å; S63-N66 PolarHBondContact O-N 2.92Å; T64-N66 PolarHBondContact O-N 2.74Å; N66-M68 VanDerWaalsContact C-N 3.33Å; N66-M68 PolarHBondContact O-N 2.95Å; N66-R69 PolarHBondContact O-N 3.28Å; N66-V70 VanDerWaalsContact O-CG2 3.25Å; N66-V70 WeakPolarHBondContact O-CG2 3.16Å; N66-V70 PolarHBondContact O-N 2.9Å; N66-D292 HydrophobicContact CB-CB 3.54Å; N66-D292 WeakPolarHBondContact CB-OD2 3.42Å; N66-D292 PolarHBondContact ND2-OD2 2.9Å; N66-C328 HydrophobicContact CB-CB 4.11Å
67S98.7Very high96.2Very high0 Ų020.9 Ų20.90%011%0.113CC..Hα-helixtrans-57.2-45.1176.6-55.30000111.9S63 T64 A71 D292 G296S63-S67 PolarHBondContact O-N 3.13Å; S63-S67 PolarHBondContact O-OG 3.44Å; T64-S67 PolarHBondContact O-N 3Å; S67-A71 WeakPolarHBondContact O-CB 3.32Å; S67-A71 PolarHBondContact O-N 3.42Å; S67-D292 WeakPolarHBondContact CA-O 3.14Å; S67-D292 PolarHBondContact OG-O 2.9Å; S67-G296 WeakPolarHBondContact O-CA 3.44Å
68M98.7Very high96.2Very high0 Ų020.5 Ų20.50%012%0.118CC..Hα-helixtrans-68.4-38.2178.8-66.7-49.584.700112.6L7 T64 Q65 N66 Q72 V81 Y83 L105 Y159 L299L7-M68 HydrophobicContact CD1-SD 4.5Å; L7-M68 HydrophobicContact CD2-CE 4.05Å; L7-M68 HydrophobicContact CD2-SD 3.84Å; L7-M68 HydrophobicContact CG-SD 3.94Å; T64-M68 HydrophobicContact CG2-CG 4.08Å; T64-M68 VanDerWaalsContact O-CG 3.26Å; T64-M68 WeakPolarHBondContact O-CG 3.39Å; T64-M68 PolarHBondContact O-N 2.64Å; Q65-M68 PolarHBondContact O-N 3.28Å; N66-M68 VanDerWaalsContact C-N 3.33Å; N66-M68 PolarHBondContact O-N 2.95Å; M68-Q72 WeakPolarHBondContact O-CB 3.14Å; M68-Q72 PolarHBondContact O-N 2.9Å; M68-V81 HydrophobicContact CB-CG1 3.85Å; M68-V81 HydrophobicContact CG-CG1 4.03Å; M68-V81 HydrophobicContact SD-CG1 3.56Å; M68-V81 VanDerWaalsContact SD-CG1 3.56Å; M68-Y83 HydrophobicContact CG-CD2 4.08Å; M68-Y83 HydrophobicContact CG-CG 4.5Å; M68-L105 HydrophobicContact CB-CD1 3.96Å; M68-L105 HydrophobicContact CB-CD2 3.9Å; M68-Y159 HydrophobicContact CE-CD1 3.44Å; M68-Y159 VanDerWaalsContact CE-CD1 3.44Å; M68-Y159 HydrophobicContact CE-CE1 4.28Å; M68-Y159 HydrophobicContact CE-CG 4.06Å; M68-L299 HydrophobicContact CE-CD1 3.4Å; M68-L299 VanDerWaalsContact CE-CD1 3.4Å
69R98.1Very high96.3Very high12 Ų1218.2 Ų18.25%0.04511%0.113CC..Hα-helixtrans-64-45.7176.3-76.5173.964.7-130.4-8.2110.8A60 Q65 N66 Q72 W73 V103 L105 C328 L330A60-R69 PolarHBondContact O-NH1 3.26Å; A60-R69 VanDerWaalsContact O-NH1 3.12Å; Q65-R69 HydrophobicContact CG-CG 4.35Å; Q65-R69 WeakPolarHBondContact O-CB 3.44Å; Q65-R69 VanDerWaalsContact O-CG 3.27Å; Q65-R69 WeakPolarHBondContact O-CG 3.39Å; Q65-R69 PolarHBondContact O-N 2.98Å; N66-R69 PolarHBondContact O-N 3.28Å; R69-Q72 PolarHBondContact O-N 3.19Å; R69-W73 WeakPolarHBondContact O-CB 3.37Å; R69-W73 PolarHBondContact O-N 2.98Å; R69-V103 HydrophobicContact CB-CG2 4.27Å; R69-V103 HydrophobicContact CG-CG2 4.14Å; R69-L105 HydrophobicContact CB-CD2 4.46Å; R69-L105 HydrophobicContact CG-CD2 3.58Å; R69-C328 PolarHBondContact NH1-O 3.25Å; R69-L330 HydrophobicContact CB-CD1 4.16Å
70V98.2Very high96.5Very high1 Ų117.3 Ų17.31%0.00611%0.109CC..Hα-helixtrans-62.8-48.4177.1173.20000110.5N66 Q72 W73 M74 A293 A318 L330N66-V70 VanDerWaalsContact O-CG2 3.25Å; N66-V70 WeakPolarHBondContact O-CG2 3.16Å; N66-V70 PolarHBondContact O-N 2.9Å; V70-Q72 PolarHBondContact O-N 3.48Å; V70-W73 PolarHBondContact O-N 2.84Å; V70-M74 HydrophobicContact CG1-CG 4.49Å; V70-M74 HydrophobicContact CG1-SD 4.05Å; V70-M74 WeakPolarHBondContact O-CG 3.41Å; V70-M74 PolarHBondContact O-N 3.35Å; V70-A293 HydrophobicContact CG2-CB 4.32Å; V70-A318 HydrophobicContact CG1-CB 3.99Å; V70-L330 HydrophobicContact CG2-CD2 3.92Å
71A98.3Very high96.8Very high0 Ų017.2 Ų17.20%011%0.108CC..Hα-helixtrans-57.8-49.7178.200000111.6L7 S67 W73 M74 I75 V81 G296 L299L7-A71 HydrophobicContact CD2-CB 4.25Å; S67-A71 WeakPolarHBondContact O-CB 3.32Å; S67-A71 PolarHBondContact O-N 3.42Å; A71-W73 PolarHBondContact O-N 2.87Å; A71-M74 PolarHBondContact O-N 3.46Å; A71-I75 WeakPolarHBondContact O-CB 3.3Å; A71-I75 VanDerWaalsContact O-CD1 3.25Å; A71-I75 WeakPolarHBondContact O-CD1 3.24Å; A71-I75 WeakPolarHBondContact O-CG1 3.34Å; A71-I75 PolarHBondContact O-N 2.97Å; A71-V81 HydrophobicContact CB-CG2 4.45Å; A71-G296 VanDerWaalsContact CA-O 3.27Å; A71-G296 WeakPolarHBondContact CA-O 3.08Å; A71-G296 VanDerWaalsContact CB-O 3.32Å; A71-G296 WeakPolarHBondContact CB-O 3.2Å; A71-L299 HydrophobicContact CB-CB 4.22Å
72Q97.6Very high96.9Very high2 Ų217.3 Ų17.31%0.00911%0.109CC..Hα-helixtrans-61.1-42.7178.817854.765.600112.4M68 R69 V70 I75 G76 K77 V81 V103 G104 L105M68-Q72 WeakPolarHBondContact O-CB 3.14Å; M68-Q72 PolarHBondContact O-N 2.9Å; R69-Q72 PolarHBondContact O-N 3.19Å; V70-Q72 PolarHBondContact O-N 3.48Å; Q72-I75 PolarHBondContact O-N 3.28Å; Q72-G76 PolarHBondContact O-N 3.18Å; Q72-G76 VanDerWaalsContact O-N 3.17Å; Q72-K77 PolarHBondContact NE2-O 2.74Å; Q72-V81 HydrophobicContact CB-CB 4.02Å; Q72-V81 HydrophobicContact CB-CG2 3.85Å; Q72-V103 HydrophobicContact CG-CG2 4.42Å; Q72-V103 VanDerWaalsContact CG-O 3.32Å; Q72-V103 WeakPolarHBondContact CG-O 3.43Å; Q72-G104 PolarHBondContact OE1-O 3.13Å; Q72-L105 HydrophobicContact CB-CB 4.33Å; Q72-L105 HydrophobicContact CG-CB 3.97Å
73W96.7Very high97Very high15 Ų1517 Ų176%0.05711%0.106CC..Hα-helixtrans-64-44177.3173.376.7000112.1R69 V70 A71 I75 G76 V103 W317 L321 L330 P331 A333 C334R69-W73 WeakPolarHBondContact O-CB 3.37Å; R69-W73 PolarHBondContact O-N 2.98Å; V70-W73 PolarHBondContact O-N 2.84Å; A71-W73 PolarHBondContact O-N 2.87Å; W73-I75 PolarHBondContact O-N 3.43Å; W73-G76 PolarHBondContact O-N 3.26Å; W73-V103 HydrophobicContact CB-CB 4.4Å; W73-V103 HydrophobicContact CB-CG1 4.38Å; W73-W317 AromaticContact CH2-CH2 3.67Å; W73-W317 HydrophobicContact CH2-CH2 3.67Å; W73-W317 HydrophobicContact CH2-CZ3 4.01Å; W73-W317 AromaticContact CZ3-CH2 3.86Å; W73-W317 HydrophobicContact CZ3-CH2 3.86Å; W73-W317 AromaticContact CZ3-CZ3 3.69Å; W73-W317 HydrophobicContact CZ3-CZ3 3.69Å; W73-L321 HydrophobicContact CH2-CD2 3.25Å; W73-L321 HydrophobicContact CZ2-CD2 4.24Å; W73-L321 HydrophobicContact CZ3-CD2 3.71Å; W73-L330 HydrophobicContact CB-CD1 3.87Å; W73-L330 HydrophobicContact CD2-CB 4.36Å; W73-L330 HydrophobicContact CD2-CD1 4.41Å; W73-L330 HydrophobicContact CD2-CD2 3.99Å; W73-L330 HydrophobicContact CD2-CG 4.48Å; W73-L330 HydrophobicContact CE3-CD2 3.74Å; W73-L330 HydrophobicContact CG-CB 4.42Å; W73-L330 HydrophobicContact CG-CD1 4.02Å; W73-L330 HydrophobicContact CG-CD2 4.46Å; W73-L330 HydrophobicContact CZ3-CD2 4.14Å; W73-P331 HydrophobicContact CH2-CG 4.49Å; W73-P331 HydrophobicContact CZ2-CB 4.18Å; W73-P331 HydrophobicContact CZ2-CG 4.1Å; W73-P331 PolarHBondContact NE1-O 3.16Å; W73-A333 WeakPolarHBondContact CZ2-O 2.96Å; W73-C334 HydrophobicContact CD2-CB 3.82Å; W73-C334 HydrophobicContact CE3-CB 4.12Å; W73-C334 HydrophobicContact CG-CB 4.46Å; W73-C334 HydrophobicContact CH2-CB 3.85Å; W73-C334 HydrophobicContact CZ2-CB 3.59Å; W73-C334 HydrophobicContact CZ3-CB 4.14Å
74M97.3Very high97.1Very high11 Ų1116.4 Ų16.45%0.05410%0.102CC..Hα-helixtrans-68.5-32.1176.9-70.3-176.967.200113.3V70 A71 G76 G297 A314 W317 A318 Y336V70-M74 HydrophobicContact CG1-CG 4.49Å; V70-M74 HydrophobicContact CG1-SD 4.05Å; V70-M74 WeakPolarHBondContact O-CG 3.41Å; V70-M74 PolarHBondContact O-N 3.35Å; A71-M74 PolarHBondContact O-N 3.46Å; M74-G76 VanDerWaalsContact C-N 3.31Å; M74-G297 WeakPolarHBondContact SD-CA 3.23Å; M74-A314 HydrophobicContact CE-CB 4.15Å; M74-W317 HydrophobicContact CE-CE3 3.67Å; M74-W317 HydrophobicContact CE-CZ3 3.86Å; M74-W317 HydrophobicContact CG-CZ3 4.22Å; M74-W317 HydrophobicContact SD-CE3 4.14Å; M74-W317 HydrophobicContact SD-CZ3 4.01Å; M74-A318 HydrophobicContact SD-CB 3.78Å; M74-Y336 HydrophobicContact CE-CD1 3.43Å; M74-Y336 VanDerWaalsContact CE-CD1 3.43Å; M74-Y336 HydrophobicContact CE-CD2 4.03Å; M74-Y336 HydrophobicContact CE-CE1 3.75Å; M74-Y336 HydrophobicContact CE-CE2 4.31Å; M74-Y336 HydrophobicContact CE-CG 3.57Å
75I95.7Very high97.1Very high12 Ų1216.3 Ų16.36%0.06210%0.101CC..Hα-helixtrans-68.3-32.5175.2-70.3159.3000111.5P2 A71 Q72 W73 K77 V80 V81 I303P2-I75 HydrophobicContact CB-CG2 4.36Å; P2-I75 HydrophobicContact CG-CG2 3.75Å; A71-I75 WeakPolarHBondContact O-CB 3.3Å; A71-I75 VanDerWaalsContact O-CD1 3.25Å; A71-I75 WeakPolarHBondContact O-CD1 3.24Å; A71-I75 WeakPolarHBondContact O-CG1 3.34Å; A71-I75 PolarHBondContact O-N 2.97Å; Q72-I75 PolarHBondContact O-N 3.28Å; W73-I75 PolarHBondContact O-N 3.43Å; I75-K77 HydrophobicContact CG2-CB 4.21Å; I75-K77 PolarHBondContact O-N 2.92Å; I75-K77 VanDerWaalsContact O-N 3.11Å; I75-V80 HydrophobicContact CD1-CB 4.47Å; I75-V80 HydrophobicContact CD1-CG1 3.91Å; I75-V80 HydrophobicContact CG2-CB 4.11Å; I75-V80 HydrophobicContact CG2-CG1 4.2Å; I75-V80 HydrophobicContact CG2-CG2 3.91Å; I75-V81 HydrophobicContact CD1-CG2 3.96Å; I75-I303 HydrophobicContact CD1-CD1 3.69Å
76G93.1Very high97.1Very high63 Ų6316.3 Ų16.365%0.64910%0.101SC*.  trans67.58174.900000115.6Q72 W73 M74Q72-G76 PolarHBondContact O-N 3.18Å; Q72-G76 VanDerWaalsContact O-N 3.17Å; W73-G76 PolarHBondContact O-N 3.26Å; M74-G76 VanDerWaalsContact C-N 3.31Å
77K91.9Very high97.2Very high82 Ų8216.2 Ų16.236%0.35710%0.1SC..SBendtrans-119.5128.6176.6-64-169.8-175.9-173.60110.6M1 P2 Q72 I75 V80M1-K77 PolarHBondContact SD-NZ 3.44Å; P2-K77 HydrophobicContact CG-CD 4.32Å; Q72-K77 PolarHBondContact NE2-O 2.74Å; I75-K77 HydrophobicContact CG2-CB 4.21Å; I75-K77 PolarHBondContact O-N 2.92Å; I75-K77 VanDerWaalsContact O-N 3.11Å; K77-V80 HydrophobicContact CB-CG2 4.02Å; K77-V80 WeakPolarHBondContact O-CG2 3.49Å
78P91.9Very high97.2Very high79 Ų7916.3 Ų16.351%0.51310%0.101SC..THydrogen-bonded Turntrans-65.5150.8-171.528.2-36.1000112.8V80P78-V80 PolarHBondContact O-N 3.19Å
79D95.5Very high97.1Very high55 Ų5521.2 Ų21.229%0.29413%0.127SC..THydrogen-bonded Turntrans6119.7173-46.8-48.6000115.3K4 G5 V81 G104K4-D79 CarbonylContact C-O 3.52Å; K4-D79 VanDerWaalsContact CA-O 3.26Å; K4-D79 WeakPolarHBondContact CA-O 3.39Å; K4-D79 HydrophobicContact CB-CB 4.47Å; K4-D79 WeakPolarHBondContact CB-O 3.49Å; K4-D79 HydrophobicContact CD-CB 3.89Å; K4-D79 HydrophobicContact CG-CB 4.08Å; K4-D79 IonicContact NZ-OD2 3.43Å; K4-D79 PolarHBondContact NZ-OD2 3.33Å; G5-D79 PolarHBondContact N-O 2.57Å; D79-V81 VanDerWaalsContact C-N 3.34Å; D79-G104 PolarHBondContact N-O 3.35Å
80V98Very high97.1Very high2 Ų222.6 Ų22.61%0.01214%0.136CC..SBendtrans-71.6-36.8172.8174.30000110.2P2 G5 L6 L7 I75 K77 P78 I303P2-V80 HydrophobicContact CB-CG1 3.79Å; P2-V80 HydrophobicContact CB-CG2 4.04Å; P2-V80 HydrophobicContact CG-CG2 4.37Å; G5-V80 CarbonylContact C-O 3.5Å; G5-V80 PolarHBondContact N-O 2.85Å; L6-V80 HydrophobicContact CB-CG1 4.14Å; L6-V80 PolarHBondContact N-O 3.2Å; L7-V80 PolarHBondContact N-O 2.75Å; I75-V80 HydrophobicContact CD1-CB 4.47Å; I75-V80 HydrophobicContact CD1-CG1 3.91Å; I75-V80 HydrophobicContact CG2-CB 4.11Å; I75-V80 HydrophobicContact CG2-CG1 4.2Å; I75-V80 HydrophobicContact CG2-CG2 3.91Å; K77-V80 HydrophobicContact CB-CG2 4.02Å; K77-V80 WeakPolarHBondContact O-CG2 3.49Å; P78-V80 PolarHBondContact O-N 3.19Å; V80-I303 HydrophobicContact CG1-CD1 4.14Å
81V98.6Very high97Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-106.8135.9179.4-169.60000109.7L7 M68 A71 Q72 I75 D79 L105 K106L7-V81 HydrophobicContact CB-CG1 4.29Å; L7-V81 HydrophobicContact CB-CG2 4.28Å; L7-V81 HydrophobicContact CD2-CG1 3.97Å; L7-V81 HydrophobicContact CD2-CG2 4.05Å; L7-V81 HydrophobicContact CG-CG1 4.03Å; L7-V81 CarbonylContact O-C 3.57Å; L7-V81 WeakPolarHBondContact O-CA 3.31Å; M68-V81 HydrophobicContact CB-CG1 3.85Å; M68-V81 HydrophobicContact CG-CG1 4.03Å; M68-V81 HydrophobicContact SD-CG1 3.56Å; M68-V81 VanDerWaalsContact SD-CG1 3.56Å; A71-V81 HydrophobicContact CB-CG2 4.45Å; Q72-V81 HydrophobicContact CB-CB 4.02Å; Q72-V81 HydrophobicContact CB-CG2 3.85Å; I75-V81 HydrophobicContact CD1-CG2 3.96Å; D79-V81 VanDerWaalsContact C-N 3.34Å; V81-L105 HydrophobicContact CB-CD1 3.74Å; V81-L105 HydrophobicContact CG1-CD1 3.59Å; V81-L105 WeakPolarHBondContact O-CD1 3.11Å; V81-K106 PolarHBondContact O-N 2.88Å; V81-K106 VanDerWaalsContact O-N 3.12Å
82G98.5Very high96.9Very high3 Ų331.3 Ų31.33%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-115.6157.7167.300000111.3L7 L8 G9 K106L7-G82 PolarHBondContact O-N 3.49Å; L8-G82 WeakPolarHBondContact CA-O 3.45Å; G9-G82 PolarHBondContact N-O 2.95Å; G82-K106 CarbonylContact C-O 3.56Å; G82-K106 VanDerWaalsContact CA-O 3.3Å; G82-K106 WeakPolarHBondContact CA-O 3.46Å
83Y98.7Very high96.9Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-143.4125.3-176.9175.7-120.8000112.6G9 G11 P13 T64 Q65 M68 K106 A107 M108 Y109G9-Y83 CarbonylContact O-C 3.59Å; G9-Y83 WeakPolarHBondContact O-CA 3.48Å; G11-Y83 VanDerWaalsContact C-OH 3.23Å; G11-Y83 PolarHBondContact O-OH 2.95Å; P13-Y83 HydrophobicContact CB-CE1 4.12Å; P13-Y83 WeakPolarHBondContact CD-OH 3.15Å; T64-Y83 HydrophobicContact CG2-CD2 3.92Å; T64-Y83 HydrophobicContact CG2-CE2 3.56Å; Q65-Y83 HydrophobicContact CB-CD1 4.21Å; Q65-Y83 HydrophobicContact CB-CE1 3.54Å; Q65-Y83 HydrophobicContact CB-CE2 4.42Å; Q65-Y83 HydrophobicContact CG-CD1 4.09Å; Q65-Y83 HydrophobicContact CG-CE1 3.75Å; Q65-Y83 VanDerWaalsContact OE1-CE1 3.24Å; M68-Y83 HydrophobicContact CG-CD2 4.08Å; M68-Y83 HydrophobicContact CG-CG 4.5Å; Y83-K106 PolarHBondContact N-O 3.12Å; Y83-A107 CarbonylContact O-C 3.57Å; Y83-M108 PolarHBondContact O-N 3.4Å; Y83-Y109 AromaticContact CD1-CE1 3.73Å; Y83-Y109 HydrophobicContact CD1-CE1 3.73Å; Y83-Y109 AromaticContact CE1-CE1 3.63Å; Y83-Y109 HydrophobicContact CE1-CE1 3.63Å
84F98.8Very high96.9Very high2 Ų235.4 Ų35.41%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-99145173.2-66.1-71.9000111.4L8 G9 L10 G11 M108 F138 L143 H148 I152L8-F84 HydrophobicContact CD1-CE2 4.1Å; L8-F84 HydrophobicContact CD2-CE2 4.24Å; G9-F84 PolarHBondContact O-N 3.27Å; L10-F84 WeakPolarHBondContact CA-O 2.93Å; L10-F84 HydrophobicContact CB-CB 4.38Å; L10-F84 HydrophobicContact CD1-CB 3.48Å; L10-F84 VanDerWaalsContact CD1-CB 3.48Å; G11-F84 PolarHBondContact N-O 3.07Å; G11-F84 VanDerWaalsContact N-O 3.1Å; F84-M108 HydrophobicContact CD1-CB 3.61Å; F84-M108 HydrophobicContact CD1-CE 4.23Å; F84-M108 WeakPolarHBondContact CD1-O 3.48Å; F84-M108 HydrophobicContact CD2-CE 4.19Å; F84-M108 HydrophobicContact CE1-CB 3.54Å; F84-M108 HydrophobicContact CE1-CE 3.7Å; F84-M108 HydrophobicContact CE1-CG 4.29Å; F84-M108 HydrophobicContact CE1-SD 3.86Å; F84-M108 HydrophobicContact CE2-CE 3.66Å; F84-M108 HydrophobicContact CG-CE 4.45Å; F84-M108 HydrophobicContact CZ-CB 4.43Å; F84-M108 HydrophobicContact CZ-CE 3.39Å; F84-M108 HydrophobicContact CZ-SD 3.86Å; F84-F138 HydrophobicContact CB-CE2 4.2Å; F84-F138 HydrophobicContact CB-CZ 4.18Å; F84-L143 HydrophobicContact CB-CD2 4.35Å; F84-L143 HydrophobicContact CD1-CD2 4Å; F84-L143 HydrophobicContact CD2-CD2 3.91Å; F84-L143 HydrophobicContact CE1-CD2 4.23Å; F84-L143 HydrophobicContact CE2-CD2 4.13Å; F84-L143 HydrophobicContact CG-CD2 3.83Å; F84-L143 HydrophobicContact CZ-CD2 4.29Å; F84-H148 HydrophobicContact CE1-CB 3.85Å; F84-H148 AromaticContact CE1-CD2 3.63Å; F84-H148 AromaticContact CE1-CG 3.54Å; F84-H148 AromaticContact CE1-ND1 3.97Å; F84-H148 HydrophobicContact CZ-CB 3.91Å; F84-I152 HydrophobicContact CE2-CG1 4.2Å; F84-I152 HydrophobicContact CZ-CG1 4.47Å
85G98.6Very high96.8Very high0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-179.6173.6176.800000109.8G11 Y109 Q110 F138G11-G85 WeakPolarHBondContact O-CA 3.45Å; G85-Y109 CarbonylContact O-C 3.57Å; G85-Y109 WeakPolarHBondContact O-CA 3.47Å; G85-Q110 PolarHBondContact O-N 2.88Å; G85-F138 VanDerWaalsContact C-CD2 3.46Å
86C98.8Very high97Very high0 Ų036.2 Ų36.20%020%0.2CC..EExtended strand (participates in β ladder)trans-119129.3177.2-169.10000110.1P13 Q110 A134 A135 F138P13-C86 VanDerWaalsContact CG-O 3.31Å; P13-C86 WeakPolarHBondContact CG-O 3.06Å; C86-Q110 VanDerWaalsContact CA-O 3.32Å; C86-Q110 WeakPolarHBondContact CA-O 3.41Å; C86-Q110 HydrophobicContact CB-CB 4.08Å; C86-Q110 PolarHBondContact SG-O 3.39Å; C86-A134 WeakPolarHBondContact CB-O 3.26Å; C86-A134 PolarHBondContact SG-O 3.48Å; C86-A135 WeakPolarHBondContact O-CA 3.5Å; C86-A135 PolarHBondContact O-N 3.43Å; C86-F138 HydrophobicContact CB-CB 3.82Å; C86-F138 HydrophobicContact CB-CD2 3.92Å; C86-F138 HydrophobicContact CB-CG 4.38Å
87V98.7Very high97.2Very high1 Ų136.5 Ų36.51%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-126158.6176.3-60.10000109.7P13 L96 Y109 Q110 L111 H112 T117 A134P13-V87 HydrophobicContact CB-CG1 3.78Å; P13-V87 HydrophobicContact CG-CG1 3.43Å; P13-V87 VanDerWaalsContact CG-CG1 3.43Å; V87-L96 HydrophobicContact CG1-CD1 4.05Å; V87-Y109 HydrophobicContact CG1-CD1 4.27Å; V87-Y109 HydrophobicContact CG1-CD2 4.02Å; V87-Y109 HydrophobicContact CG1-CE1 4.34Å; V87-Y109 HydrophobicContact CG1-CE2 4.1Å; V87-Y109 HydrophobicContact CG1-CG 4.12Å; V87-Y109 HydrophobicContact CG2-CD2 3.7Å; V87-Y109 HydrophobicContact CG2-CE2 4.42Å; V87-Y109 HydrophobicContact CG2-CG 3.97Å; V87-Q110 PolarHBondContact N-O 2.86Å; V87-L111 HydrophobicContact CG2-CD2 3.54Å; V87-L111 WeakPolarHBondContact O-CA 3.5Å; V87-H112 PolarHBondContact O-N 2.89Å; V87-T117 HydrophobicContact CB-CG2 4.22Å; V87-T117 HydrophobicContact CG1-CG2 4.25Å; V87-A134 VanDerWaalsContact C-CB 3.48Å
88G98.5Very high97.4Very high2 Ų236.9 Ų36.92%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-72.3156169.300000110.9D90 E115 T117G88-D90 PolarHBondContact O-N 2.85Å; G88-E115 WeakPolarHBondContact CA-O 3.4Å; G88-T117 WeakPolarHBondContact CA-OG1 3.4Å; G88-T117 PolarHBondContact N-OG1 2.99Å; G88-T117 PolarHBondContact O-OG1 3.36Å
89N97.7Very high97.6Very high103 Ų10336.5 Ų36.555%0.55118%0.18SC*.SBendtrans-78.762.4169.2-169.933.1000111H112N89-H112 PolarHBondContact N-O 2.87Å; N89-H112 VanDerWaalsContact N-O 3.12Å
90D97.6Very high97.7Very high42 Ų4233.9 Ų33.923%0.22517%0.166CC..SBendtrans-137.2177.3-17364.525.1000112.8G88 F92 G93 H94 R116 T117G88-D90 PolarHBondContact O-N 2.85Å; D90-F92 PolarHBondContact O-N 3.42Å; D90-F92 PolarHBondContact OD1-N 2.88Å; D90-F92 VanDerWaalsContact OD1-N 3.14Å; D90-G93 PolarHBondContact O-N 3.47Å; D90-G93 PolarHBondContact OD1-N 2.9Å; D90-H94 PolarHBondContact O-CD2 3.31Å; D90-H94 PolarHBondContact O-N 3.4Å; D90-R116 WeakPolarHBondContact OD2-CA 3.36Å; D90-T117 WeakPolarHBondContact OD1-CB 3.3Å; D90-T117 PolarHBondContact OD1-OG1 3.41Å; D90-T117 PolarHBondContact OD2-N 3.47Å; D90-T117 PolarHBondContact OD2-OG1 3.48Å
91H95.7Very high97.6Very high134 Ų13437.9 Ų37.962%0.6219%0.187SC*.Hα-helixtrans-56.7-38.2-178.9-177.456.9000112.9H94 I95H91-H94 PolarHBondContact O-N 3.24Å; H91-I95 WeakPolarHBondContact NE2-CD1 3.3Å; H91-I95 WeakPolarHBondContact O-CG1 3.44Å; H91-I95 PolarHBondContact O-N 3.2Å
92F96.7Very high97.5Very high50 Ų5044 Ų4422%0.21922%0.216CC..Hα-helixtrans-70-42.8-179-70.5-0.1000111L15 Y58 D90 H94 I95 L96 T117L15-F92 HydrophobicContact CB-CB 4.4Å; L15-F92 HydrophobicContact CB-CD2 4.34Å; L15-F92 HydrophobicContact CB-CG 4.43Å; L15-F92 HydrophobicContact CD2-CB 3.91Å; L15-F92 HydrophobicContact CD2-CD1 3.35Å; L15-F92 HydrophobicContact CD2-CD2 3.65Å; L15-F92 HydrophobicContact CD2-CE1 3.63Å; L15-F92 HydrophobicContact CD2-CE2 3.91Å; L15-F92 HydrophobicContact CD2-CG 3.35Å; L15-F92 HydrophobicContact CD2-CZ 3.9Å; Y58-F92 HydrophobicContact CD1-CZ 4.4Å; Y58-F92 HydrophobicContact CE1-CE1 4.33Å; Y58-F92 AromaticContact CE1-CZ 3.93Å; Y58-F92 HydrophobicContact CE1-CZ 3.93Å; D90-F92 PolarHBondContact O-N 3.42Å; D90-F92 PolarHBondContact OD1-N 2.88Å; D90-F92 VanDerWaalsContact OD1-N 3.14Å; F92-H94 VanDerWaalsContact C-N 3.26Å; F92-H94 PolarHBondContact O-N 2.95Å; F92-I95 HydrophobicContact CD1-CD1 4.39Å; F92-I95 WeakPolarHBondContact O-CB 3.4Å; F92-I95 PolarHBondContact O-N 2.72Å; F92-I95 VanDerWaalsContact O-N 3.13Å; F92-L96 WeakPolarHBondContact O-CG 3.41Å; F92-L96 PolarHBondContact O-N 2.9Å; F92-T117 HydrophobicContact CB-CG2 3.94Å
93G97.7Very high97.3Very high4 Ų445.3 Ų45.34%0.04122%0.223CC..Hα-helixtrans-59.4-38.7173.700000112D90 L96 K97 T117D90-G93 PolarHBondContact O-N 3.47Å; D90-G93 PolarHBondContact OD1-N 2.9Å; G93-L96 PolarHBondContact O-N 3.08Å; G93-K97 WeakPolarHBondContact O-CB 3.27Å; G93-K97 PolarHBondContact O-N 3.05Å; G93-T117 WeakPolarHBondContact CA-OG1 3.25Å; G93-T117 PolarHBondContact N-OG1 3.05Å; G93-T117 VanDerWaalsContact N-OG1 3.09Å
94H96.6Very high97.2Very high99 Ų9946 Ų4646%0.45823%0.231SC..Hα-helixtrans-66.4-40.9173.7-66.6-54.1000113.3D90 H91 F92 K97 N98D90-H94 PolarHBondContact O-CD2 3.31Å; D90-H94 PolarHBondContact O-N 3.4Å; H91-H94 PolarHBondContact O-N 3.24Å; F92-H94 VanDerWaalsContact C-N 3.26Å; F92-H94 PolarHBondContact O-N 2.95Å; H94-K97 PolarHBondContact O-N 3.47Å; H94-N98 WeakPolarHBondContact O-CB 3.42Å; H94-N98 PolarHBondContact O-N 3.38Å; H94-N98 PolarHBondContact O-ND2 3.35Å
95I96.1Very high97.1Very high39 Ų3946 Ų4620%0.223%0.231CC..Hα-helixtrans-58.3-49.7174.1-70.9168.7000110.2L15 H91 F92 K97 N98 K99L15-I95 HydrophobicContact CD1-CB 4.44Å; L15-I95 HydrophobicContact CD1-CG2 3.83Å; L15-I95 HydrophobicContact CD2-CD1 4.49Å; H91-I95 WeakPolarHBondContact NE2-CD1 3.3Å; H91-I95 WeakPolarHBondContact O-CG1 3.44Å; H91-I95 PolarHBondContact O-N 3.2Å; F92-I95 HydrophobicContact CD1-CD1 4.39Å; F92-I95 WeakPolarHBondContact O-CB 3.4Å; F92-I95 PolarHBondContact O-N 2.72Å; F92-I95 VanDerWaalsContact O-N 3.13Å; I95-K97 PolarHBondContact O-N 2.82Å; I95-N98 PolarHBondContact O-N 2.61Å; I95-K99 HydrophobicContact CG2-CG 4.41Å; I95-K99 WeakPolarHBondContact O-CG 3.46Å; I95-K99 PolarHBondContact O-N 2.88Å
96L98.2Very high97.1Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-59.6-47.3-179.3-62.3173.2000111P13 L14 L15 A60 V87 F92 G93 N98 K99 C100 Y109 T117P13-L96 HydrophobicContact CB-CD1 4.11Å; L14-L96 VanDerWaalsContact O-CD2 3.23Å; L14-L96 WeakPolarHBondContact O-CD2 3.13Å; L15-L96 HydrophobicContact CB-CD2 4.44Å; L15-L96 HydrophobicContact CD1-CD2 4.04Å; A60-L96 HydrophobicContact CB-CD2 3.73Å; V87-L96 HydrophobicContact CG1-CD1 4.05Å; F92-L96 WeakPolarHBondContact O-CG 3.41Å; F92-L96 PolarHBondContact O-N 2.9Å; G93-L96 PolarHBondContact O-N 3.08Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 3.39Å; L96-K99 PolarHBondContact O-N 2.88Å; L96-C100 PolarHBondContact O-N 2.9Å; L96-C100 PolarHBondContact O-SG 2.79Å; L96-C100 VanDerWaalsContact O-SG 3.41Å; L96-Y109 HydrophobicContact CB-CE2 4.35Å; L96-T117 HydrophobicContact CD1-CG2 3.5Å
97K98Very high97.1Very high70 Ų7051.3 Ų51.330%0.30425%0.254SS..Hα-helixtrans-58.8-43.9177.2-177.461.8178.3-166.30112.2G93 H94 I95 C100 N101 A107 Y109G93-K97 WeakPolarHBondContact O-CB 3.27Å; G93-K97 PolarHBondContact O-N 3.05Å; H94-K97 PolarHBondContact O-N 3.47Å; I95-K97 PolarHBondContact O-N 2.82Å; K97-C100 PolarHBondContact O-N 3.1Å; K97-N101 VanDerWaalsContact O-CG 3.22Å; K97-N101 PolarHBondContact O-N 2.68Å; K97-N101 PolarHBondContact O-ND2 2.91Å; K97-N101 PolarHBondContact O-OD1 2.92Å; K97-A107 HydrophobicContact CD-CB 3.76Å; K97-A107 PolarHBondContact NZ-O 2.92Å; K97-Y109 HydrophobicContact CB-CD2 4.36Å; K97-Y109 HydrophobicContact CB-CE2 3.93Å; K97-Y109 HydrophobicContact CD-CD2 4.18Å; K97-Y109 HydrophobicContact CD-CE2 4.13Å
98N97Very high97.1Very high89 Ų8952 Ų5248%0.47626%0.258SS..Hα-helixtrans-64.8-42178.3-72.4-17.6000111.7H94 I95 L96 C100 N101 E102H94-N98 WeakPolarHBondContact O-CB 3.42Å; H94-N98 PolarHBondContact O-N 3.38Å; H94-N98 PolarHBondContact O-ND2 3.35Å; I95-N98 PolarHBondContact O-N 2.61Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 3.39Å; N98-C100 VanDerWaalsContact C-N 3.31Å; N98-C100 PolarHBondContact O-N 2.8Å; N98-N101 WeakPolarHBondContact O-CB 3.46Å; N98-N101 PolarHBondContact O-N 3.35Å; N98-N101 VanDerWaalsContact O-N 3.08Å; N98-E102 WeakPolarHBondContact O-CG 3.23Å; N98-E102 PolarHBondContact O-N 3.17Å
99K96.2Very high97.1Very high71 Ų7153 Ų5331%0.30926%0.261SS..Hα-helixtrans-66-28.9176.1-70.3-56.9-176.8-162.30113.8A60 I95 L96 E102A60-K99 HydrophobicContact CB-CB 3.59Å; A60-K99 HydrophobicContact CB-CG 3.69Å; I95-K99 HydrophobicContact CG2-CG 4.41Å; I95-K99 WeakPolarHBondContact O-CG 3.46Å; I95-K99 PolarHBondContact O-N 2.88Å; L96-K99 PolarHBondContact O-N 2.88Å; K99-E102 WeakPolarHBondContact CD-OE2 3.46Å; K99-E102 IonicContact NZ-OE1 3.73Å; K99-E102 PolarHBondContact NZ-OE1 3.44Å; K99-E102 IonicContact NZ-OE2 2.85Å; K99-E102 PolarHBondContact NZ-OE2 3.03Å
100C97.5Very high97.1Very high0 Ų049.5 Ų49.50%024%0.241CC..Hα-helixtrans-67.8-46.1167-65.40000111.5L96 K97 N98 E102 V103 G104 L105 A107 Y109L96-C100 PolarHBondContact O-N 2.9Å; L96-C100 PolarHBondContact O-SG 2.79Å; L96-C100 VanDerWaalsContact O-SG 3.41Å; K97-C100 PolarHBondContact O-N 3.1Å; N98-C100 VanDerWaalsContact C-N 3.31Å; N98-C100 PolarHBondContact O-N 2.8Å; C100-E102 VanDerWaalsContact C-N 3.34Å; C100-E102 PolarHBondContact O-N 2.8Å; C100-V103 VanDerWaalsContact O-CG2 3.31Å; C100-V103 WeakPolarHBondContact O-CG2 3.39Å; C100-V103 PolarHBondContact O-N 3.36Å; C100-G104 PolarHBondContact O-N 2.8Å; C100-L105 HydrophobicContact CB-CB 4.04Å; C100-L105 HydrophobicContact CB-CD2 4.14Å; C100-L105 HydrophobicContact CB-CG 4.15Å; C100-L105 WeakPolarHBondContact O-CB 3.37Å; C100-L105 PolarHBondContact O-N 2.83Å; C100-A107 HydrophobicContact CB-CB 3.89Å; C100-Y109 PolarHBondContact SG-OH 3.21Å; C100-Y109 VanDerWaalsContact SG-OH 3.35Å
101N96.3Very high97.1Very high86 Ų8652.7 Ų52.746%0.4626%0.258SS..Hα-helixtrans-63-38.2-179.1-64.7-21.5000112.6K97 N98 V103 G104K97-N101 VanDerWaalsContact O-CG 3.22Å; K97-N101 PolarHBondContact O-N 2.68Å; K97-N101 PolarHBondContact O-ND2 2.91Å; K97-N101 PolarHBondContact O-OD1 2.92Å; N98-N101 WeakPolarHBondContact O-CB 3.46Å; N98-N101 PolarHBondContact O-N 3.35Å; N98-N101 VanDerWaalsContact O-N 3.08Å; N101-V103 PolarHBondContact O-N 2.78Å; N101-G104 PolarHBondContact O-N 3.02Å
102E94.8Very high97.3Very high130 Ų13048.2 Ų48.261%0.60724%0.237SC*.Hα-helixtrans-54.4-36.8177.9-78.4175.3-161.700112.8N98 K99 C100N98-E102 WeakPolarHBondContact O-CG 3.23Å; N98-E102 PolarHBondContact O-N 3.17Å; K99-E102 WeakPolarHBondContact CD-OE2 3.46Å; K99-E102 IonicContact NZ-OE1 3.73Å; K99-E102 PolarHBondContact NZ-OE1 3.44Å; K99-E102 IonicContact NZ-OE2 2.85Å; K99-E102 PolarHBondContact NZ-OE2 3.03Å; C100-E102 VanDerWaalsContact C-N 3.34Å; C100-E102 PolarHBondContact O-N 2.8Å
103V95.1Very high97.2Very high29 Ų2950.1 Ų50.118%0.17626%0.263CS..THydrogen-bonded Turntrans-95.4-1.6177.9-59.40000113.4R69 Q72 W73 C100 N101 L105 L330R69-V103 HydrophobicContact CB-CG2 4.27Å; R69-V103 HydrophobicContact CG-CG2 4.14Å; Q72-V103 HydrophobicContact CG-CG2 4.42Å; Q72-V103 VanDerWaalsContact CG-O 3.32Å; Q72-V103 WeakPolarHBondContact CG-O 3.43Å; W73-V103 HydrophobicContact CB-CB 4.4Å; W73-V103 HydrophobicContact CB-CG1 4.38Å; C100-V103 VanDerWaalsContact O-CG2 3.31Å; C100-V103 WeakPolarHBondContact O-CG2 3.39Å; C100-V103 PolarHBondContact O-N 3.36Å; N101-V103 PolarHBondContact O-N 2.78Å; V103-L105 HydrophobicContact CG2-CB 3.9Å; V103-L330 HydrophobicContact CG1-CD1 4.04Å
104G96Very high97.2Very high16 Ų1655.5 Ų55.517%0.16530%0.295CS..THydrogen-bonded Turntrans78.421.7-176.100000114.7Q72 D79 C100 N101Q72-G104 PolarHBondContact OE1-O 3.13Å; D79-G104 PolarHBondContact N-O 3.35Å; C100-G104 PolarHBondContact O-N 2.8Å; N101-G104 PolarHBondContact O-N 3.02Å
105L98.1Very high97.2Very high1 Ų154.9 Ų54.91%0.00529%0.292CS..  trans-80.6122.5175.1172.962.4000110.2M68 R69 Q72 V81 C100 V103 A107M68-L105 HydrophobicContact CB-CD1 3.96Å; M68-L105 HydrophobicContact CB-CD2 3.9Å; R69-L105 HydrophobicContact CB-CD2 4.46Å; R69-L105 HydrophobicContact CG-CD2 3.58Å; Q72-L105 HydrophobicContact CB-CB 4.33Å; Q72-L105 HydrophobicContact CG-CB 3.97Å; V81-L105 HydrophobicContact CB-CD1 3.74Å; V81-L105 HydrophobicContact CG1-CD1 3.59Å; V81-L105 WeakPolarHBondContact O-CD1 3.11Å; C100-L105 HydrophobicContact CB-CB 4.04Å; C100-L105 HydrophobicContact CB-CD2 4.14Å; C100-L105 HydrophobicContact CB-CG 4.15Å; C100-L105 WeakPolarHBondContact O-CB 3.37Å; C100-L105 PolarHBondContact O-N 2.83Å; V103-L105 HydrophobicContact CG2-CB 3.9Å; L105-A107 PolarHBondContact O-N 3.31Å
106K98Very high97.3Very high107 Ų10757.9 Ų57.947%0.46530%0.301SS..EExtended strand (participates in β ladder)trans-77.685.8177.9-172.8-178.1176.6-174.70110.9V81 G82 Y83 M108V81-K106 PolarHBondContact O-N 2.88Å; V81-K106 VanDerWaalsContact O-N 3.12Å; G82-K106 CarbonylContact C-O 3.56Å; G82-K106 VanDerWaalsContact CA-O 3.3Å; G82-K106 WeakPolarHBondContact CA-O 3.46Å; Y83-K106 PolarHBondContact N-O 3.12Å; K106-M108 HydrophobicContact CD-SD 4.45Å; K106-M108 HydrophobicContact CG-CG 4.28Å; K106-M108 PolarHBondContact O-N 3.39Å
107A98.2Very high97.3Very high4 Ų457.9 Ų57.93%0.03330%0.301CS..EExtended strand (participates in β ladder)trans-67.9128.9170.800000110.7Y83 K97 C100 L105 Y109Y83-A107 CarbonylContact O-C 3.57Å; K97-A107 HydrophobicContact CD-CB 3.76Å; K97-A107 PolarHBondContact NZ-O 2.92Å; C100-A107 HydrophobicContact CB-CB 3.89Å; L105-A107 PolarHBondContact O-N 3.31Å; A107-Y109 HydrophobicContact CB-CD1 4.42Å; A107-Y109 HydrophobicContact CB-CD2 4.29Å; A107-Y109 HydrophobicContact CB-CE1 4.1Å; A107-Y109 HydrophobicContact CB-CE2 3.95Å
108M98.4Very high97.3Very high16 Ų1654.6 Ų54.68%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-12056.2178.5-67.6176.9-6900108.7L8 Y83 F84 K106 H142 A151L8-M108 HydrophobicContact CD2-CE 3.57Å; Y83-M108 PolarHBondContact O-N 3.4Å; F84-M108 HydrophobicContact CD1-CB 3.61Å; F84-M108 HydrophobicContact CD1-CE 4.23Å; F84-M108 WeakPolarHBondContact CD1-O 3.48Å; F84-M108 HydrophobicContact CD2-CE 4.19Å; F84-M108 HydrophobicContact CE1-CB 3.54Å; F84-M108 HydrophobicContact CE1-CE 3.7Å; F84-M108 HydrophobicContact CE1-CG 4.29Å; F84-M108 HydrophobicContact CE1-SD 3.86Å; F84-M108 HydrophobicContact CE2-CE 3.66Å; F84-M108 HydrophobicContact CG-CE 4.45Å; F84-M108 HydrophobicContact CZ-CB 4.43Å; F84-M108 HydrophobicContact CZ-CE 3.39Å; F84-M108 HydrophobicContact CZ-SD 3.86Å; K106-M108 HydrophobicContact CD-SD 4.45Å; K106-M108 HydrophobicContact CG-CG 4.28Å; K106-M108 PolarHBondContact O-N 3.39Å; M108-H142 PolarHBondContact O-NE2 3.46Å; M108-A151 HydrophobicContact CE-CB 4.34Å; M108-A151 HydrophobicContact SD-CB 4.12Å
109Y98.5Very high97.3Very high23 Ų2350.3 Ų50.39%0.0926%0.264CS..EExtended strand (participates in β ladder)trans-65.6140.9-176.5-60.9-39.6000112.7P13 Q65 Y83 G85 V87 L96 K97 C100 A107 H142P13-Y109 HydrophobicContact CB-CE1 3.85Å; P13-Y109 HydrophobicContact CG-CD1 4.3Å; P13-Y109 HydrophobicContact CG-CE1 4.02Å; Q65-Y109 PolarHBondContact OE1-OH 2.9Å; Y83-Y109 AromaticContact CD1-CE1 3.73Å; Y83-Y109 HydrophobicContact CD1-CE1 3.73Å; Y83-Y109 AromaticContact CE1-CE1 3.63Å; Y83-Y109 HydrophobicContact CE1-CE1 3.63Å; G85-Y109 CarbonylContact O-C 3.57Å; G85-Y109 WeakPolarHBondContact O-CA 3.47Å; V87-Y109 HydrophobicContact CG1-CD1 4.27Å; V87-Y109 HydrophobicContact CG1-CD2 4.02Å; V87-Y109 HydrophobicContact CG1-CE1 4.34Å; V87-Y109 HydrophobicContact CG1-CE2 4.1Å; V87-Y109 HydrophobicContact CG1-CG 4.12Å; V87-Y109 HydrophobicContact CG2-CD2 3.7Å; V87-Y109 HydrophobicContact CG2-CE2 4.42Å; V87-Y109 HydrophobicContact CG2-CG 3.97Å; L96-Y109 HydrophobicContact CB-CE2 4.35Å; K97-Y109 HydrophobicContact CB-CD2 4.36Å; K97-Y109 HydrophobicContact CB-CE2 3.93Å; K97-Y109 HydrophobicContact CD-CD2 4.18Å; K97-Y109 HydrophobicContact CD-CE2 4.13Å; C100-Y109 PolarHBondContact SG-OH 3.21Å; C100-Y109 VanDerWaalsContact SG-OH 3.35Å; A107-Y109 HydrophobicContact CB-CD1 4.42Å; A107-Y109 HydrophobicContact CB-CD2 4.29Å; A107-Y109 HydrophobicContact CB-CE1 4.1Å; A107-Y109 HydrophobicContact CB-CE2 3.95Å; Y109-H142 PolarHBondContact O-CE1 2.89Å
110Q98.5Very high97.3Very high29 Ų2947.3 Ų47.314%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-73.1127.4153.7-173.4175.3-17.300107.5G85 C86 V87 Q137 F138 H142G85-Q110 PolarHBondContact O-N 2.88Å; C86-Q110 VanDerWaalsContact CA-O 3.32Å; C86-Q110 WeakPolarHBondContact CA-O 3.41Å; C86-Q110 HydrophobicContact CB-CB 4.08Å; C86-Q110 PolarHBondContact SG-O 3.39Å; V87-Q110 PolarHBondContact N-O 2.86Å; Q110-Q137 PolarHBondContact NE2-O 3.35Å; Q110-F138 HydrophobicContact CB-CD2 4.28Å; Q110-F138 HydrophobicContact CB-CE2 4.43Å; Q110-H142 VanDerWaalsContact CA-CE1 3.42Å; Q110-H142 WeakPolarHBondContact CA-CE1 3.46Å; Q110-H142 HydrophobicContact CB-CB 4.34Å; Q110-H142 HydrophobicContact CG-CB 4.39Å; Q110-H142 PolarHBondContact N-CE1 2.71Å; Q110-H142 PolarHBondContact N-NE2 3.06Å
111L98.3Very high97.3Very high110 Ų11047.4 Ų47.458%0.57625%0.252SS*.EExtended strand (participates in β ladder)trans-94.4119173.5-63.1-178000108.3V87V87-L111 HydrophobicContact CG2-CD2 3.54Å; V87-L111 WeakPolarHBondContact O-CA 3.5Å
112H98.1Very high97.3Very high39 Ų3943.4 Ų43.418%0.18123%0.231CC..EExtended strand (participates in β ladder)trans-86.9133.9171.8-160.4-83.3000110.2V87 N89 T114 E115 A134 Q137V87-H112 PolarHBondContact O-N 2.89Å; N89-H112 PolarHBondContact N-O 2.87Å; N89-H112 VanDerWaalsContact N-O 3.12Å; H112-T114 PolarHBondContact CE1-OG1 2.84Å; H112-T114 VanDerWaalsContact CE1-OG1 3.27Å; H112-T114 PolarHBondContact ND1-N 3.39Å; H112-E115 HydrophobicContact CB-CB 4.4Å; H112-E115 VanDerWaalsContact ND1-CB 3.35Å; H112-E115 WeakPolarHBondContact ND1-CB 3.2Å; H112-E115 PolarHBondContact ND1-N 3.33Å; H112-A134 HydrophobicContact CB-CB 3.94Å; H112-Q137 WeakPolarHBondContact CD2-CB 3.45Å
113A95.9Very high97.2Very high91 Ų9137.3 Ų37.375%0.75220%0.202SC*.SBendtrans-74.9-32.2-170.700000113.7
114T96.5Very high96.8Very high117 Ų11740.5 Ų40.572%0.71821%0.214SC*.SBendtrans-120.4-45.9-171.957.10000113.6H112H112-T114 PolarHBondContact CE1-OG1 2.84Å; H112-T114 VanDerWaalsContact CE1-OG1 3.27Å; H112-T114 PolarHBondContact ND1-N 3.39Å
115E97.8Very high96.4Very high85 Ų8543 Ų4340%0.39722%0.22SC..SBendtrans-59.4136.9173.8-64.3-49.5131.700112.7G88 H112 A134 Q137G88-E115 WeakPolarHBondContact CA-O 3.4Å; H112-E115 HydrophobicContact CB-CB 4.4Å; H112-E115 VanDerWaalsContact ND1-CB 3.35Å; H112-E115 WeakPolarHBondContact ND1-CB 3.2Å; H112-E115 PolarHBondContact ND1-N 3.33Å; E115-A134 HydrophobicContact CB-CB 4Å; E115-Q137 HydrophobicContact CB-CG 4.33Å; E115-Q137 HydrophobicContact CG-CG 3.72Å
116R97.5Very high95.9Very high103 Ų10343.1 Ų43.139%0.38922%0.223SC..PPolyproline II helixtrans-71.5151.5174.569.5-172.2-165.497.3-11.5111.2D90 G118 D131 A134D90-R116 WeakPolarHBondContact OD2-CA 3.36Å; R116-G118 PolarHBondContact O-N 3.31Å; R116-D131 IonicContact CZ-OD2 3.66Å; R116-D131 VanDerWaalsContact NH2-CG 3.33Å; R116-D131 IonicContact NH2-OD2 3.09Å; R116-D131 PolarHBondContact NH2-OD2 2.84Å; R116-A134 VanDerWaalsContact O-CB 3.29Å; R116-A134 WeakPolarHBondContact O-CB 3.4Å; R116-A134 PolarHBondContact O-N 3.3Å
117T98.4Very high95.6Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-56.6135.6168.1-60.30000110.1V87 G88 D90 F92 G93 L96V87-T117 HydrophobicContact CB-CG2 4.22Å; V87-T117 HydrophobicContact CG1-CG2 4.25Å; G88-T117 WeakPolarHBondContact CA-OG1 3.4Å; G88-T117 PolarHBondContact N-OG1 2.99Å; G88-T117 PolarHBondContact O-OG1 3.36Å; D90-T117 WeakPolarHBondContact OD1-CB 3.3Å; D90-T117 PolarHBondContact OD1-OG1 3.41Å; D90-T117 PolarHBondContact OD2-N 3.47Å; D90-T117 PolarHBondContact OD2-OG1 3.48Å; F92-T117 HydrophobicContact CB-CG2 3.94Å; G93-T117 WeakPolarHBondContact CA-OG1 3.25Å; G93-T117 PolarHBondContact N-OG1 3.05Å; G93-T117 VanDerWaalsContact N-OG1 3.09Å; L96-T117 HydrophobicContact CD1-CG2 3.5Å
118G97.9Very high95.4Very high0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-63.8155.7177.600000112.4L15 R116 D131 L132L15-G118 PolarHBondContact N-O 3.41Å; R116-G118 PolarHBondContact O-N 3.31Å; G118-D131 CarbonylContact C-O 3.52Å; G118-D131 WeakPolarHBondContact CA-O 3.4Å; G118-L132 WeakPolarHBondContact CA-O 3.32Å
119A97.3Very high95.3Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-135.4149.817900000111L15 I17 F47 D131L15-A119 CarbonylContact O-C 3.57Å; L15-A119 WeakPolarHBondContact O-CA 3.43Å; L15-A119 WeakPolarHBondContact O-CB 3.38Å; I17-A119 HydrophobicContact CD1-CB 4.02Å; I17-A119 HydrophobicContact CG1-CB 4.46Å; F47-A119 HydrophobicContact CD1-CB 4.31Å; F47-A119 HydrophobicContact CE1-CB 3.96Å; A119-D131 PolarHBondContact N-O 2.93Å; A119-D131 PolarHBondContact O-N 2.8Å; A119-D131 VanDerWaalsContact O-O 3.07Å
120C97.2Very high95.2Very high8 Ų839.2 Ų39.25%0.05421%0.21CC..EExtended strand (participates in β ladder)trans-116.7122.6172.5-165.50000108.9L14 L15 D16 I17 V122 C129L14-C120 HydrophobicContact CD1-CB 4.38Å; L15-C120 PolarHBondContact O-N 3.02Å; D16-C120 CarbonylContact C-O 3.6Å; D16-C120 WeakPolarHBondContact CA-O 3.48Å; D16-C120 VanDerWaalsContact OD1-CB 3.29Å; D16-C120 WeakPolarHBondContact OD1-CB 3.44Å; I17-C120 PolarHBondContact N-O 3.21Å; C120-V122 HydrophobicContact CB-CG2 4.18Å; C120-V122 PolarHBondContact O-N 3.48Å; C120-C129 CarbonylContact C-O 3.53Å; C120-C129 WeakPolarHBondContact CA-O 3.41Å
121A96.9Very high95.2Very high2 Ų239.6 Ų39.62%0.01721%0.213CC..EExtended strand (participates in β ladder)trans-76.8122.6166.600000107.8M46 F47 I50 C129M46-A121 HydrophobicContact CE-CB 3.49Å; M46-A121 VanDerWaalsContact CE-CB 3.49Å; F47-A121 HydrophobicContact CD1-CB 4.35Å; F47-A121 HydrophobicContact CE1-CB 3.93Å; F47-A121 HydrophobicContact CZ-CB 4.12Å; I50-A121 HydrophobicContact CD1-CB 4.46Å; A121-C129 HydrophobicContact CB-CB 4.45Å; A121-C129 PolarHBondContact N-O 3.31Å; A121-C129 PolarHBondContact O-N 2.98Å
122V95.2Very high95.1Very high2 Ų234.9 Ų34.91%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-120.4125-175.8-1780000108.5D16 I17 E18 A19 C120 L128 N288D16-V122 HydrophobicContact CB-CG2 3.86Å; I17-V122 PolarHBondContact O-N 2.89Å; E18-V122 CarbonylContact C-O 3.58Å; E18-V122 VanDerWaalsContact CA-O 3.3Å; E18-V122 WeakPolarHBondContact CA-O 3.5Å; E18-V122 HydrophobicContact CB-CB 4.23Å; E18-V122 HydrophobicContact CG-CB 4.24Å; E18-V122 HydrophobicContact CG-CG1 4.09Å; A19-V122 PolarHBondContact N-O 3.24Å; C120-V122 HydrophobicContact CB-CG2 4.18Å; C120-V122 PolarHBondContact O-N 3.48Å; V122-L128 HydrophobicContact CB-CD2 4.2Å; V122-L128 HydrophobicContact CG1-CD2 3.83Å; V122-L128 HydrophobicContact CG2-CD2 3.72Å; V122-N288 HydrophobicContact CG1-CB 4.15Å; V122-N288 VanDerWaalsContact CG1-CG 3.4Å; V122-N288 WeakPolarHBondContact CG1-ND2 3.48Å
123T93.5Very high95.1Very high1 Ų133.4 Ų33.41%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-102.7155.7177.477.20000110.7V21 F25 L26 L31 F125 G126 S127 N288V21-T123 HydrophobicContact CG2-CG2 3.66Å; F25-T123 HydrophobicContact CE1-CG2 4.37Å; L26-T123 HydrophobicContact CD2-CG2 3.89Å; L31-T123 HydrophobicContact CD1-CG2 4.3Å; T123-F125 PolarHBondContact O-N 2.83Å; T123-F125 VanDerWaalsContact O-N 3.12Å; T123-F125 PolarHBondContact OG1-N 3.34Å; T123-G126 PolarHBondContact O-N 3.13Å; T123-S127 PolarHBondContact N-O 3.45Å; T123-S127 WeakPolarHBondContact OG1-CB 3.34Å; T123-S127 PolarHBondContact OG1-N 2.9Å; T123-S127 VanDerWaalsContact OG1-N 3.14Å; T123-S127 PolarHBondContact OG1-OG 3.03Å; T123-N288 PolarHBondContact O-ND2 3.26Å
124F86.8Confident95.2Very high96 Ų9629.1 Ų29.142%0.42115%0.148SC..THydrogen-bonded Turntrans-60.4-17.1170.9-174.3-97.1000113.5A19 H20 G126 V285A19-F124 PolarHBondContact O-N 3.43Å; H20-F124 AromaticContact CE1-CD2 3.23Å; H20-F124 WeakPolarHBondContact CE1-CD2 3.39Å; H20-F124 AromaticContact CE1-CE2 3.56Å; H20-F124 AromaticContact CE1-CG 4Å; H20-F124 AromaticContact ND1-CD2 3.28Å; H20-F124 VanDerWaalsContact ND1-CD2 3.28Å; H20-F124 WeakPolarHBondContact ND1-CD2 3.15Å; H20-F124 AromaticContact ND1-CE2 3.85Å; H20-F124 AromaticContact ND1-CG 3.56Å; F124-G126 PolarHBondContact O-N 2.9Å; F124-V285 WeakPolarHBondContact CE2-O 3.26Å
125F88.3Confident95.3Very high68 Ų6823.5 Ų23.530%0.29811%0.114SC..THydrogen-bonded Turntrans-83.611.9173.4-61.5-79.7000113.1V21 L26 A33 D34 T123 S127V21-F125 HydrophobicContact CG2-CD2 4.27Å; V21-F125 HydrophobicContact CG2-CE2 4.41Å; V21-F125 WeakPolarHBondContact O-CE2 3.27Å; L26-F125 HydrophobicContact CD1-CB 3.9Å; L26-F125 HydrophobicContact CD1-CD1 4.47Å; L26-F125 HydrophobicContact CD1-CD2 3.63Å; L26-F125 HydrophobicContact CD1-CE2 4.22Å; L26-F125 HydrophobicContact CD1-CG 3.77Å; L26-F125 HydrophobicContact CD2-CD2 4.25Å; L26-F125 HydrophobicContact CG-CD2 4.02Å; L26-F125 HydrophobicContact CG-CE2 4.45Å; A33-F125 CarbonylContact C-O 3.55Å; A33-F125 WeakPolarHBondContact CA-O 3.25Å; A33-F125 HydrophobicContact CB-CB 4.24Å; D34-F125 PolarHBondContact N-O 3.06Å; T123-F125 PolarHBondContact O-N 2.83Å; T123-F125 VanDerWaalsContact O-N 3.12Å; T123-F125 PolarHBondContact OG1-N 3.34Å; F125-S127 PolarHBondContact O-N 3.32Å
126G86.5Confident95.3Very high5 Ų523.2 Ų23.25%0.05211%0.114CC..SBendtrans72.37.2-177.500000114.3D34 T123 F124D34-G126 WeakPolarHBondContact CA-O 3.25Å; T123-G126 PolarHBondContact O-N 3.13Å; F124-G126 PolarHBondContact O-N 2.9Å
127S91.8Very high95.3Very high1 Ų122 Ų221%0.00711%0.113CC..  trans-73.9131.9178.2-47.10000110.6K32 G35 T123 F125K32-S127 VanDerWaalsContact O-CB 3.3Å; K32-S127 WeakPolarHBondContact O-CB 3.45Å; K32-S127 PolarHBondContact O-OG 3.26Å; G35-S127 WeakPolarHBondContact O-CA 3.26Å; T123-S127 PolarHBondContact N-O 3.45Å; T123-S127 WeakPolarHBondContact OG1-CB 3.34Å; T123-S127 PolarHBondContact OG1-N 2.9Å; T123-S127 VanDerWaalsContact OG1-N 3.14Å; T123-S127 PolarHBondContact OG1-OG 3.03Å; F125-S127 PolarHBondContact O-N 3.32Å
128L94.6Very high95.3Very high52 Ų5222.2 Ų22.227%0.27211%0.114SC..EExtended strand (participates in β ladder)trans-119.8127.8179.5-54.9176.7000110.2G35 A36 I37 V122G35-L128 PolarHBondContact O-N 3.36Å; A36-L128 WeakPolarHBondContact CA-O 3.46Å; A36-L128 HydrophobicContact CB-CB 4.16Å; A36-L128 HydrophobicContact CB-CD1 4.4Å; I37-L128 PolarHBondContact N-O 3.1Å; V122-L128 HydrophobicContact CB-CD2 4.2Å; V122-L128 HydrophobicContact CG1-CD2 3.83Å; V122-L128 HydrophobicContact CG2-CD2 3.72Å
129C96.4Very high95.3Very high0 Ų025.1 Ų25.10%013%0.132CC..EExtended strand (participates in β ladder)trans-130.5110.6171179.80000109.6L31 I37 M46 F47 C120 A121L31-C129 HydrophobicContact CD2-CB 4.11Å; I37-C129 HydrophobicContact CG2-CB 3.98Å; I37-C129 WeakPolarHBondContact O-CA 3.26Å; M46-C129 HydrophobicContact CE-CB 3.66Å; M46-C129 VanDerWaalsContact CE-SG 3.56Å; F47-C129 VanDerWaalsContact CZ-O 3.31Å; F47-C129 WeakPolarHBondContact CZ-O 3.32Å; C120-C129 CarbonylContact C-O 3.53Å; C120-C129 WeakPolarHBondContact CA-O 3.41Å; A121-C129 HydrophobicContact CB-CB 4.45Å; A121-C129 PolarHBondContact N-O 3.31Å; A121-C129 PolarHBondContact O-N 2.98Å
130A96.9Very high95.3Very high15 Ų1526.1 Ų26.112%0.12414%0.138CC..EExtended strand (participates in β ladder)trans-99.8117.3-171.800000112.1L14 I37 L38 C39 L132L14-A130 HydrophobicContact CD1-CB 4.01Å; I37-A130 PolarHBondContact O-N 3.42Å; L38-A130 HydrophobicContact CD2-CB 4.31Å; C39-A130 WeakPolarHBondContact CB-O 3.32Å; C39-A130 PolarHBondContact N-O 3.26Å; A130-L132 HydrophobicContact CB-CD2 4.17Å
131D97.3Very high95.4Very high37 Ų3730.5 Ų30.520%0.19816%0.161CC..EExtended strand (participates in β ladder)trans-91.8107.6159.8-175.7-19000108.3C39 F47 R116 G118 A119 G133C39-D131 HydrophobicContact CB-CB 3.83Å; F47-D131 HydrophobicContact CE1-CB 4.39Å; F47-D131 HydrophobicContact CE2-CB 3.96Å; F47-D131 HydrophobicContact CZ-CB 3.74Å; R116-D131 IonicContact CZ-OD2 3.66Å; R116-D131 VanDerWaalsContact NH2-CG 3.33Å; R116-D131 IonicContact NH2-OD2 3.09Å; R116-D131 PolarHBondContact NH2-OD2 2.84Å; G118-D131 CarbonylContact C-O 3.52Å; G118-D131 WeakPolarHBondContact CA-O 3.4Å; A119-D131 PolarHBondContact N-O 2.93Å; A119-D131 PolarHBondContact O-N 2.8Å; A119-D131 VanDerWaalsContact O-O 3.07Å; D131-G133 VanDerWaalsContact C-N 3.32Å; D131-G133 PolarHBondContact O-N 3.21Å; D131-G133 PolarHBondContact OD1-N 3.37Å; D131-G133 VanDerWaalsContact OD1-N 3.15Å
132L97Very high95.5Very high11 Ų1131.9 Ų31.96%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-73.2-22.2-170.1-63.7179.4000113.6N12 L14 L38 G118 A130 A134 A135 L136N12-L132 HydrophobicContact CB-CD2 4.36Å; L14-L132 HydrophobicContact CD1-CD2 4.09Å; L14-L132 HydrophobicContact CD2-CD2 4.14Å; L38-L132 HydrophobicContact CD2-CD1 3.83Å; L38-L132 HydrophobicContact CD2-CD2 4.31Å; L38-L132 HydrophobicContact CD2-CG 4Å; G118-L132 WeakPolarHBondContact CA-O 3.32Å; A130-L132 HydrophobicContact CB-CD2 4.17Å; L132-A134 PolarHBondContact O-N 2.9Å; L132-A135 HydrophobicContact CB-CB 4.48Å; L132-A135 WeakPolarHBondContact O-CB 3.37Å; L132-A135 PolarHBondContact O-N 2.77Å; L132-L136 HydrophobicContact CB-CD1 3.94Å; L132-L136 HydrophobicContact CB-CD2 4.3Å; L132-L136 HydrophobicContact CB-CG 3.62Å; L132-L136 HydrophobicContact CD1-CD1 4.42Å; L132-L136 HydrophobicContact CD1-CD2 3.61Å; L132-L136 HydrophobicContact CD1-CG 3.9Å; L132-L136 HydrophobicContact CG-CG 4.42Å
133G96.9Very high95.6Very high8 Ų831.8 Ų31.88%0.08217%0.166CC..EExtended strand (participates in β ladder)trans42.7-127.4-179.300000113.8D131 A135 L136D131-G133 VanDerWaalsContact C-N 3.32Å; D131-G133 PolarHBondContact O-N 3.21Å; D131-G133 PolarHBondContact OD1-N 3.37Å; D131-G133 VanDerWaalsContact OD1-N 3.15Å; G133-A135 PolarHBondContact O-N 2.81Å; G133-A135 VanDerWaalsContact O-N 3.11Å; G133-L136 PolarHBondContact O-N 3.4Å
134A98.3Very high95.9Very high0 Ų037.5 Ų37.50%019%0.188CC..G310 helixtrans-57.3-23.2178.700000114.3C86 V87 H112 E115 R116 L132 L136 Q137C86-A134 WeakPolarHBondContact CB-O 3.26Å; C86-A134 PolarHBondContact SG-O 3.48Å; V87-A134 VanDerWaalsContact C-CB 3.48Å; H112-A134 HydrophobicContact CB-CB 3.94Å; E115-A134 HydrophobicContact CB-CB 4Å; R116-A134 VanDerWaalsContact O-CB 3.29Å; R116-A134 WeakPolarHBondContact O-CB 3.4Å; R116-A134 PolarHBondContact O-N 3.3Å; L132-A134 PolarHBondContact O-N 2.9Å; A134-L136 PolarHBondContact O-N 3.34Å; A134-Q137 WeakPolarHBondContact O-CA 3.27Å; A134-Q137 WeakPolarHBondContact O-CB 3.43Å; A134-Q137 PolarHBondContact O-N 2.81Å
135A98.2Very high96.4Very high0 Ų035.4 Ų35.40%018%0.183CC..G310 helixtrans-61.7-31.817900000112.3N12 L14 C86 L132 G133 Q137 F138 S167N12-A135 HydrophobicContact CB-CB 3.97Å; L14-A135 HydrophobicContact CD2-CB 4.43Å; C86-A135 WeakPolarHBondContact O-CA 3.5Å; C86-A135 PolarHBondContact O-N 3.43Å; L132-A135 HydrophobicContact CB-CB 4.48Å; L132-A135 WeakPolarHBondContact O-CB 3.37Å; L132-A135 PolarHBondContact O-N 2.77Å; G133-A135 PolarHBondContact O-N 2.81Å; G133-A135 VanDerWaalsContact O-N 3.11Å; A135-Q137 PolarHBondContact O-N 3.01Å; A135-F138 PolarHBondContact O-N 3.12Å; A135-S167 WeakPolarHBondContact O-CB 3.4Å
136L97.6Very high96.9Very high78 Ų7837.7 Ų37.741%0.40821%0.205SC..G310 helixtrans-66-19.5172.6-74.7170000113.4L132 G133 A134 F138 S166L132-L136 HydrophobicContact CB-CD1 3.94Å; L132-L136 HydrophobicContact CB-CD2 4.3Å; L132-L136 HydrophobicContact CB-CG 3.62Å; L132-L136 HydrophobicContact CD1-CD1 4.42Å; L132-L136 HydrophobicContact CD1-CD2 3.61Å; L132-L136 HydrophobicContact CD1-CG 3.9Å; L132-L136 HydrophobicContact CG-CG 4.42Å; G133-L136 PolarHBondContact O-N 3.4Å; A134-L136 PolarHBondContact O-N 3.34Å; L136-F138 VanDerWaalsContact C-N 3.31Å; L136-S166 VanDerWaalsContact CD2-O 3.3Å; L136-S166 WeakPolarHBondContact CD2-O 3.21Å
137Q98.1Very high97.4Very high78 Ų7840.4 Ų40.436%0.36423%0.226SC..G310 helixtrans-929.2-177.5-50.9-54-44.900112.8Q110 H112 E115 A134 A135 T139Q110-Q137 PolarHBondContact NE2-O 3.35Å; H112-Q137 WeakPolarHBondContact CD2-CB 3.45Å; E115-Q137 HydrophobicContact CB-CG 4.33Å; E115-Q137 HydrophobicContact CG-CG 3.72Å; A134-Q137 WeakPolarHBondContact O-CA 3.27Å; A134-Q137 WeakPolarHBondContact O-CB 3.43Å; A134-Q137 PolarHBondContact O-N 2.81Å; A135-Q137 PolarHBondContact O-N 3.01Å; Q137-T139 PolarHBondContact O-N 3.35Å
138F98.6Very high97.8Very high5 Ų541.8 Ų41.82%0.02223%0.233CC..  trans-64.2126.4174.7-169.5-84.3000110.3L10 F84 G85 C86 Q110 A135 L136 H142 L143 F164L10-F138 HydrophobicContact CD1-CD1 4.34Å; L10-F138 HydrophobicContact CD1-CD2 4.49Å; L10-F138 HydrophobicContact CD1-CE1 3.79Å; L10-F138 HydrophobicContact CD1-CE2 3.97Å; L10-F138 HydrophobicContact CD1-CZ 3.58Å; F84-F138 HydrophobicContact CB-CE2 4.2Å; F84-F138 HydrophobicContact CB-CZ 4.18Å; G85-F138 VanDerWaalsContact C-CD2 3.46Å; C86-F138 HydrophobicContact CB-CB 3.82Å; C86-F138 HydrophobicContact CB-CD2 3.92Å; C86-F138 HydrophobicContact CB-CG 4.38Å; Q110-F138 HydrophobicContact CB-CD2 4.28Å; Q110-F138 HydrophobicContact CB-CE2 4.43Å; A135-F138 PolarHBondContact O-N 3.12Å; L136-F138 VanDerWaalsContact C-N 3.31Å; F138-H142 HydrophobicContact CE2-CB 4.45Å; F138-H142 AromaticContact CE2-CD2 3.7Å; F138-H142 HydrophobicContact CZ-CB 4.25Å; F138-H142 AromaticContact CZ-CD2 3.9Å; F138-L143 HydrophobicContact CE1-CD1 4.31Å; F138-L143 HydrophobicContact CE1-CD2 4.22Å; F138-L143 HydrophobicContact CE1-CG 3.99Å; F138-L143 HydrophobicContact CZ-CD2 3.77Å; F138-L143 HydrophobicContact CZ-CG 4Å; F138-F164 HydrophobicContact CB-CE2 4.27Å; F138-F164 HydrophobicContact CB-CZ 3.97Å; F138-F164 HydrophobicContact CD1-CE1 4.38Å; F138-F164 AromaticContact CD1-CZ 3.64Å; F138-F164 HydrophobicContact CD1-CZ 3.64Å; F138-F164 HydrophobicContact CE1-CZ 4.28Å; F138-F164 HydrophobicContact CG-CE2 4.36Å; F138-F164 AromaticContact CG-CZ 3.77Å; F138-F164 HydrophobicContact CG-CZ 3.77Å
139T98Very high97.9Very high60 Ų6042.8 Ų42.837%0.36824%0.236SC..  trans-112.3146.9179.567.80000111.3Q137 D141 H142Q137-T139 PolarHBondContact O-N 3.35Å; T139-D141 PolarHBondContact O-N 2.53Å; T139-H142 WeakPolarHBondContact O-CB 3.32Å; T139-H142 PolarHBondContact O-N 3.41Å; T139-H142 VanDerWaalsContact O-N 3.09Å
140V98.1Very high98Very high22 Ų2249.3 Ų49.313%0.13327%0.267CS..Hα-helixtrans-59.9-27.2175.6670000112H142 L143 R144 S171 E174V140-H142 PolarHBondContact O-N 2.73Å; V140-L143 WeakPolarHBondContact O-CB 3.41Å; V140-L143 PolarHBondContact O-N 3.37Å; V140-R144 PolarHBondContact O-N 3.03Å; V140-S171 WeakPolarHBondContact CA-OG 3.32Å; V140-S171 PolarHBondContact N-OG 3.08Å; V140-E174 HydrophobicContact CG2-CB 4.02Å; V140-E174 HydrophobicContact CG2-CG 4.25Å
141D98.4Very high98.1Very high100 Ų10049.1 Ų49.154%0.53527%0.265SS..Hα-helixtrans-62.1-28.2177.6-66-27.3000112.8T139 L143 R144T139-D141 PolarHBondContact O-N 2.53Å; D141-L143 VanDerWaalsContact C-N 3.25Å; D141-L143 PolarHBondContact O-N 3.44Å; D141-R144 PolarHBondContact O-N 2.95Å; D141-R144 IonicContact OD1-NH1 2.91Å
142H98.4Very high98.2Very high30 Ų3047.5 Ų47.514%0.13926%0.256CS..Hα-helixtrans-61.7-36.5172.7-171.571.2000111.4M108 Y109 Q110 F138 T139 V140 R144 H148M108-H142 PolarHBondContact O-NE2 3.46Å; Y109-H142 PolarHBondContact O-CE1 2.89Å; Q110-H142 VanDerWaalsContact CA-CE1 3.42Å; Q110-H142 WeakPolarHBondContact CA-CE1 3.46Å; Q110-H142 HydrophobicContact CB-CB 4.34Å; Q110-H142 HydrophobicContact CG-CB 4.39Å; Q110-H142 PolarHBondContact N-CE1 2.71Å; Q110-H142 PolarHBondContact N-NE2 3.06Å; F138-H142 HydrophobicContact CE2-CB 4.45Å; F138-H142 AromaticContact CE2-CD2 3.7Å; F138-H142 HydrophobicContact CZ-CB 4.25Å; F138-H142 AromaticContact CZ-CD2 3.9Å; T139-H142 WeakPolarHBondContact O-CB 3.32Å; T139-H142 PolarHBondContact O-N 3.41Å; T139-H142 VanDerWaalsContact O-N 3.09Å; V140-H142 PolarHBondContact O-N 2.73Å; H142-R144 PolarHBondContact O-N 3.38Å; H142-H148 AromaticContact CD2-CE1 3.93Å; H142-H148 AromaticContact CD2-ND1 3.86Å; H142-H148 AromaticContact CE1-CE1 3.26Å; H142-H148 PolarHBondContact CE1-CE1 3.02Å; H142-H148 AromaticContact CE1-ND1 3.82Å; H142-H148 AromaticContact ND1-CE1 3.83Å; H142-H148 AromaticContact NE2-CE1 3.3Å; H142-H148 PolarHBondContact NE2-CE1 3.43Å; H142-H148 VanDerWaalsContact NE2-CE1 3.3Å; H142-H148 AromaticContact NE2-ND1 3.69Å; H142-H148 PolarHBondContact O-ND1 2.94Å
143L98.6Very high98.3Very high0 Ų051.5 Ų51.50%028%0.275CS..Hα-helixtrans-70.1-20.8175.1-58.8179.3000112.6L10 F84 F138 V140 D141 Q149 I152 I175L10-L143 HydrophobicContact CD2-CD1 4.31Å; F84-L143 HydrophobicContact CB-CD2 4.35Å; F84-L143 HydrophobicContact CD1-CD2 4Å; F84-L143 HydrophobicContact CD2-CD2 3.91Å; F84-L143 HydrophobicContact CE1-CD2 4.23Å; F84-L143 HydrophobicContact CE2-CD2 4.13Å; F84-L143 HydrophobicContact CG-CD2 3.83Å; F84-L143 HydrophobicContact CZ-CD2 4.29Å; F138-L143 HydrophobicContact CE1-CD1 4.31Å; F138-L143 HydrophobicContact CE1-CD2 4.22Å; F138-L143 HydrophobicContact CE1-CG 3.99Å; F138-L143 HydrophobicContact CZ-CD2 3.77Å; F138-L143 HydrophobicContact CZ-CG 4Å; V140-L143 WeakPolarHBondContact O-CB 3.41Å; V140-L143 PolarHBondContact O-N 3.37Å; D141-L143 VanDerWaalsContact C-N 3.25Å; D141-L143 PolarHBondContact O-N 3.44Å; L143-Q149 WeakPolarHBondContact O-CG 3.39Å; L143-Q149 PolarHBondContact O-NE2 3.26Å; L143-I152 HydrophobicContact CB-CD1 3.98Å; L143-I152 HydrophobicContact CD2-CD1 4.28Å; L143-I175 HydrophobicContact CD1-CD1 4.13Å; L143-I175 HydrophobicContact CD1-CG1 4.01Å
144R98.4Very high98.3Very high122 Ų12254.4 Ų54.446%0.4629%0.286SS..THydrogen-bonded Turntrans-91.1-2-174.1-66.7174.6177.1165.4-2.2114.6V140 D141 H142 E174V140-R144 PolarHBondContact O-N 3.03Å; D141-R144 PolarHBondContact O-N 2.95Å; D141-R144 IonicContact OD1-NH1 2.91Å; H142-R144 PolarHBondContact O-N 3.38Å; R144-E174 WeakPolarHBondContact CG-OE1 3.4Å; R144-E174 IonicContact CZ-OE1 3.53Å; R144-E174 IonicContact CZ-OE2 2.6Å; R144-E174 IonicContact NE-OE1 3.96Å; R144-E174 PolarHBondContact NE-OE1 3.02Å; R144-E174 IonicContact NE-OE2 3.59Å; R144-E174 IonicContact NH2-OE1 3.72Å; R144-E174 PolarHBondContact NH2-OE1 2.84Å; R144-E174 IonicContact NH2-OE2 2.99Å; R144-E174 PolarHBondContact NH2-OE2 2.94Å
145T98.2Very high98.3Very high51 Ų5154.4 Ų54.431%0.31329%0.286SS..SBendtrans-64.2148.6172.576.50000110.5A147 H148 Q149T145-A147 VanDerWaalsContact C-N 3.29Å; T145-A147 PolarHBondContact O-N 3.22Å; T145-H148 PolarHBondContact O-N 3.38Å; T145-H148 WeakPolarHBondContact OG1-CB 3.42Å; T145-H148 PolarHBondContact OG1-N 3.23Å; T145-H148 PolarHBondContact OG1-ND1 3.44Å; T145-Q149 PolarHBondContact O-N 3.3Å
146P98.4Very high98.3Very high117 Ų11757.9 Ų57.976%0.7630%0.302SS*.Hα-helixtrans-53.6-42.5-177.5-29.335.7000114H148 E150P146-H148 PolarHBondContact O-N 2.94Å; P146-E150 WeakPolarHBondContact O-CB 3.32Å; P146-E150 PolarHBondContact O-N 3.24Å
147A97.9Very high98.4Very high62 Ų6256.6 Ų56.651%0.51229%0.292SS..Hα-helixtrans-68.2-33.4179.900000113T145 A151T145-A147 VanDerWaalsContact C-N 3.29Å; T145-A147 PolarHBondContact O-N 3.22Å; A147-A151 PolarHBondContact O-N 2.91Å
148H98.6Very high98.4Very high30 Ų3053 Ų5314%0.13928%0.275CS..Hα-helixtrans-80.8-35178.6-61.9156.7000111.9F84 H142 T145 P146 E150 A151 I152F84-H148 HydrophobicContact CE1-CB 3.85Å; F84-H148 AromaticContact CE1-CD2 3.63Å; F84-H148 AromaticContact CE1-CG 3.54Å; F84-H148 AromaticContact CE1-ND1 3.97Å; F84-H148 HydrophobicContact CZ-CB 3.91Å; H142-H148 AromaticContact CD2-CE1 3.93Å; H142-H148 AromaticContact CD2-ND1 3.86Å; H142-H148 AromaticContact CE1-CE1 3.26Å; H142-H148 PolarHBondContact CE1-CE1 3.02Å; H142-H148 AromaticContact CE1-ND1 3.82Å; H142-H148 AromaticContact ND1-CE1 3.83Å; H142-H148 AromaticContact NE2-CE1 3.3Å; H142-H148 PolarHBondContact NE2-CE1 3.43Å; H142-H148 VanDerWaalsContact NE2-CE1 3.3Å; H142-H148 AromaticContact NE2-ND1 3.69Å; H142-H148 PolarHBondContact O-ND1 2.94Å; T145-H148 PolarHBondContact O-N 3.38Å; T145-H148 WeakPolarHBondContact OG1-CB 3.42Å; T145-H148 PolarHBondContact OG1-N 3.23Å; T145-H148 PolarHBondContact OG1-ND1 3.44Å; P146-H148 PolarHBondContact O-N 2.94Å; H148-E150 VanDerWaalsContact C-N 3.32Å; H148-E150 PolarHBondContact O-N 3.41Å; H148-A151 PolarHBondContact O-N 2.9Å; H148-I152 WeakPolarHBondContact O-CB 3.35Å; H148-I152 WeakPolarHBondContact O-CD1 3.31Å; H148-I152 VanDerWaalsContact O-CG1 3.24Å; H148-I152 WeakPolarHBondContact O-CG1 3.31Å; H148-I152 PolarHBondContact O-N 2.92Å
149Q98.5Very high98.5Very high73 Ų7352.7 Ų52.734%0.34127%0.274SS..Hα-helixtrans-61.9-39.9169.7-73.4-68.4-50.200111.7L143 T145 I152 Q153L143-Q149 WeakPolarHBondContact O-CG 3.39Å; L143-Q149 PolarHBondContact O-NE2 3.26Å; T145-Q149 PolarHBondContact O-N 3.3Å; Q149-I152 PolarHBondContact O-N 3.4Å; Q149-Q153 WeakPolarHBondContact O-CB 3.47Å; Q149-Q153 PolarHBondContact O-N 3.36Å
150E98.4Very high98.5Very high137 Ų13749.9 Ų49.964%0.6426%0.257SS*.Hα-helixtrans-61.1-45.4172.8-175.5179.8-170.200111.7P146 H148 I152 Q153 Q154P146-E150 WeakPolarHBondContact O-CB 3.32Å; P146-E150 PolarHBondContact O-N 3.24Å; H148-E150 VanDerWaalsContact C-N 3.32Å; H148-E150 PolarHBondContact O-N 3.41Å; E150-I152 PolarHBondContact O-N 3.42Å; E150-Q153 PolarHBondContact O-N 3.34Å; E150-Q154 VanDerWaalsContact O-CB 3.27Å; E150-Q154 WeakPolarHBondContact O-CB 3.4Å; E150-Q154 PolarHBondContact O-N 3.45Å
151A98.5Very high98.5Very high10 Ų1048.9 Ų48.98%0.08325%0.251CS..Hα-helixtrans-61.6-44.3176.400000111.9L8 M108 A147 H148 Q154 A155L8-A151 HydrophobicContact CD1-CB 4.48Å; L8-A151 WeakPolarHBondContact CD1-O 3.27Å; M108-A151 HydrophobicContact CE-CB 4.34Å; M108-A151 HydrophobicContact SD-CB 4.12Å; A147-A151 PolarHBondContact O-N 2.91Å; H148-A151 PolarHBondContact O-N 2.9Å; A151-Q154 PolarHBondContact O-N 2.78Å; A151-A155 PolarHBondContact O-N 2.86Å; A151-A155 VanDerWaalsContact O-N 3.09Å
152I98.8Very high98.5Very high3 Ų344.1 Ų44.12%0.01523%0.225CC..Hα-helixtrans-60.9-48.2176.6-69.3163000110L8 F84 L143 H148 Q149 E150 Q154 A155 Y158 I175 H178 K184L8-I152 HydrophobicContact CD1-CG1 4.21Å; F84-I152 HydrophobicContact CE2-CG1 4.2Å; F84-I152 HydrophobicContact CZ-CG1 4.47Å; L143-I152 HydrophobicContact CB-CD1 3.98Å; L143-I152 HydrophobicContact CD2-CD1 4.28Å; H148-I152 WeakPolarHBondContact O-CB 3.35Å; H148-I152 WeakPolarHBondContact O-CD1 3.31Å; H148-I152 VanDerWaalsContact O-CG1 3.24Å; H148-I152 WeakPolarHBondContact O-CG1 3.31Å; H148-I152 PolarHBondContact O-N 2.92Å; Q149-I152 PolarHBondContact O-N 3.4Å; E150-I152 PolarHBondContact O-N 3.42Å; I152-Q154 VanDerWaalsContact C-N 3.26Å; I152-Q154 PolarHBondContact O-N 3.28Å; I152-A155 PolarHBondContact O-N 2.92Å; I152-Y158 HydrophobicContact CG2-CE1 4.25Å; I152-Y158 PolarHBondContact O-OH 3.24Å; I152-I175 HydrophobicContact CD1-CD1 3.67Å; I152-I175 HydrophobicContact CG1-CD1 3.79Å; I152-I175 HydrophobicContact CG2-CD1 4.2Å; I152-H178 HydrophobicContact CG2-CB 4.49Å; I152-H178 VanDerWaalsContact CG2-CD2 3.44Å; I152-H178 WeakPolarHBondContact CG2-CD2 3.4Å; I152-H178 PolarHBondContact O-NE2 2.94Å; I152-K184 PolarHBondContact O-NZ 2.8Å
153Q98.5Very high98.4Very high96 Ų9645.2 Ų45.245%0.44923%0.23SC..Hα-helixtrans-63.1-33.3176.9-173.1634800112.4Q149 E150 H178 E182 K184Q149-Q153 WeakPolarHBondContact O-CB 3.47Å; Q149-Q153 PolarHBondContact O-N 3.36Å; E150-Q153 PolarHBondContact O-N 3.34Å; Q153-H178 PolarHBondContact OE1-CE1 2.83Å; Q153-E182 PolarHBondContact NE2-OE2 3.37Å; Q153-K184 PolarHBondContact O-NZ 3.2Å
154Q98.1Very high98.3Very high68 Ų6845.2 Ų45.232%0.31823%0.23SC..Hα-helixtrans-71.2-36.9-179.5179.5177.8-0.800113.1R3 K4 E150 A151 I152R3-Q154 VanDerWaalsContact CZ-O 3.28Å; R3-Q154 PolarHBondContact NH1-O 3.09Å; R3-Q154 VanDerWaalsContact NH1-O 3.16Å; R3-Q154 PolarHBondContact NH2-O 3.11Å; K4-Q154 PolarHBondContact O-NE2 2.74Å; E150-Q154 VanDerWaalsContact O-CB 3.27Å; E150-Q154 WeakPolarHBondContact O-CB 3.4Å; E150-Q154 PolarHBondContact O-N 3.45Å; A151-Q154 PolarHBondContact O-N 2.78Å; I152-Q154 VanDerWaalsContact C-N 3.26Å; I152-Q154 PolarHBondContact O-N 3.28Å
155A98.6Very high98.3Very high0 Ų040 Ų400%021%0.211CC..  trans-69153.1-175.600000112.9G5 L8 A151 I152 Y158 K184G5-A155 WeakPolarHBondContact O-CA 3.48Å; G5-A155 PolarHBondContact O-N 3.45Å; L8-A155 HydrophobicContact CB-CB 4.28Å; L8-A155 HydrophobicContact CD1-CB 3.54Å; L8-A155 HydrophobicContact CG-CB 3.62Å; A151-A155 PolarHBondContact O-N 2.86Å; A151-A155 VanDerWaalsContact O-N 3.09Å; I152-A155 PolarHBondContact O-N 2.92Å; A155-Y158 HydrophobicContact CB-CE1 3.87Å; A155-Y158 PolarHBondContact O-OH 2.87Å; A155-K184 WeakPolarHBondContact O-CD 3.4Å; A155-K184 WeakPolarHBondContact O-CE 3.35Å; A155-K184 PolarHBondContact O-NZ 2.82Å
156E98.5Very high98Very high73 Ų7339.4 Ų39.434%0.34121%0.209SC..SBendtrans-112.3-17.3174.8-61.1-61.6157.500112.1R3 L6 K184 C185R3-E156 IonicContact CZ-OE1 3.54Å; R3-E156 IonicContact NH2-OE1 2.77Å; R3-E156 PolarHBondContact NH2-OE1 2.86Å; L6-E156 HydrophobicContact CD1-CB 3.84Å; L6-E156 HydrophobicContact CD1-CG 3.67Å; L6-E156 PolarHBondContact O-N 2.75Å; E156-K184 WeakPolarHBondContact O-CB 3.41Å; E156-C185 PolarHBondContact O-N 3.33Å
157Y98.8Very high97.9Very high51 Ų5134.6 Ų34.620%0.218%0.178CC..EExtended strand (participates in β ladder)trans-132.5136.6-175-61.4-89.3000109.5L6 L7 L8 C185 M187 Y302 I303L6-Y157 HydrophobicContact CD1-CD2 4.18Å; L6-Y157 HydrophobicContact CD1-CE2 4.21Å; L6-Y157 HydrophobicContact CG-CD2 4.07Å; L6-Y157 HydrophobicContact CG-CE2 4.31Å; L6-Y157 PolarHBondContact O-N 2.73Å; L7-Y157 WeakPolarHBondContact CA-O 3.26Å; L8-Y157 PolarHBondContact N-O 3.28Å; Y157-C185 CarbonylContact C-O 3.52Å; Y157-C185 WeakPolarHBondContact CA-O 3.28Å; Y157-C185 HydrophobicContact CD1-CB 3.53Å; Y157-C185 HydrophobicContact CE1-CB 3.9Å; Y157-C185 HydrophobicContact CG-CB 4.39Å; Y157-M187 HydrophobicContact CD1-CE 4.14Å; Y157-M187 HydrophobicContact CG-CE 4.41Å; Y157-Y302 HydrophobicContact CD1-CD1 4.3Å; Y157-Y302 HydrophobicContact CD1-CE1 4.35Å; Y157-Y302 HydrophobicContact CE1-CD1 4.14Å; Y157-Y302 HydrophobicContact CE1-CE1 4.09Å; Y157-I303 HydrophobicContact CD1-CB 4.49Å; Y157-I303 HydrophobicContact CD1-CG2 3.9Å; Y157-I303 HydrophobicContact CD2-CB 3.67Å; Y157-I303 HydrophobicContact CD2-CG2 3.68Å; Y157-I303 HydrophobicContact CE1-CG2 4.42Å; Y157-I303 HydrophobicContact CE2-CB 3.8Å; Y157-I303 HydrophobicContact CE2-CG2 4.21Å; Y157-I303 WeakPolarHBondContact CE2-O 3.47Å; Y157-I303 HydrophobicContact CG-CB 4.05Å; Y157-I303 HydrophobicContact CG-CG2 3.52Å
158Y98.9Very high97.8Very high2 Ų232.2 Ų32.21%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-129.7136.8177.8-52.1-90.9000109.7L8 I152 A155 I175 H178 A179 K184 C185 M187L8-Y158 HydrophobicContact CB-CD1 3.93Å; L8-Y158 HydrophobicContact CB-CE1 4.35Å; L8-Y158 HydrophobicContact CD1-CD1 4.36Å; L8-Y158 HydrophobicContact CD1-CE1 3.97Å; L8-Y158 CarbonylContact O-C 3.57Å; L8-Y158 VanDerWaalsContact O-CA 3.25Å; L8-Y158 WeakPolarHBondContact O-CA 3.47Å; I152-Y158 HydrophobicContact CG2-CE1 4.25Å; I152-Y158 PolarHBondContact O-OH 3.24Å; A155-Y158 HydrophobicContact CB-CE1 3.87Å; A155-Y158 PolarHBondContact O-OH 2.87Å; Y158-I175 HydrophobicContact CD1-CG2 3.55Å; Y158-I175 HydrophobicContact CE1-CG2 4.31Å; Y158-I175 HydrophobicContact CG-CG2 3.67Å; Y158-H178 AromaticContact CZ-CD2 3.81Å; Y158-H178 PolarHBondContact OH-CD2 2.6Å; Y158-H178 PolarHBondContact OH-NE2 3.41Å; Y158-A179 HydrophobicContact CD2-CB 3.59Å; Y158-A179 HydrophobicContact CE2-CB 3.7Å; Y158-K184 HydrophobicContact CE2-CB 3.84Å; Y158-K184 HydrophobicContact CE2-CD 3.84Å; Y158-K184 WeakPolarHBondContact OH-CD 3.25Å; Y158-K184 PolarHBondContact OH-NZ 2.85Å; Y158-C185 WeakPolarHBondContact CD2-O 3.41Å; Y158-C185 PolarHBondContact N-O 2.97Å; Y158-M187 WeakPolarHBondContact O-CB 3.31Å; Y158-M187 VanDerWaalsContact O-CE 3.3Å; Y158-M187 WeakPolarHBondContact O-CE 3.35Å; Y158-M187 PolarHBondContact O-N 3.31Å
159Y98.9Very high97.8Very high0 Ų032.5 Ų32.50%016%0.161CC..EExtended strand (participates in β ladder)trans-130.1131176.4173.7-104.9000111.9L8 G9 L10 T64 M68 M187 N189 F213 V295 L299L8-Y159 PolarHBondContact O-N 2.79Å; G9-Y159 VanDerWaalsContact CA-O 3.27Å; G9-Y159 WeakPolarHBondContact CA-O 3.29Å; L10-Y159 PolarHBondContact N-O 2.81Å; L10-Y159 VanDerWaalsContact N-O 3.13Å; T64-Y159 HydrophobicContact CG2-CD1 3.87Å; T64-Y159 HydrophobicContact CG2-CE1 4.14Å; M68-Y159 HydrophobicContact CE-CD1 3.44Å; M68-Y159 VanDerWaalsContact CE-CD1 3.44Å; M68-Y159 HydrophobicContact CE-CE1 4.28Å; M68-Y159 HydrophobicContact CE-CG 4.06Å; Y159-M187 VanDerWaalsContact CA-O 3.31Å; Y159-M187 WeakPolarHBondContact CA-O 3.41Å; Y159-M187 HydrophobicContact CD2-CB 4.13Å; Y159-N189 HydrophobicContact CE2-CB 4.08Å; Y159-N189 VanDerWaalsContact OH-CB 3.32Å; Y159-N189 WeakPolarHBondContact OH-CB 3.37Å; Y159-F213 HydrophobicContact CD2-CE2 4.47Å; Y159-F213 HydrophobicContact CE2-CD2 4.09Å; Y159-F213 HydrophobicContact CE2-CE2 4.37Å; Y159-V295 HydrophobicContact CD2-CG1 4.16Å; Y159-V295 HydrophobicContact CE1-CG1 4.03Å; Y159-V295 HydrophobicContact CE2-CG1 3.63Å; Y159-L299 HydrophobicContact CD1-CD1 4.16Å; Y159-L299 HydrophobicContact CD2-CD1 4.3Å; Y159-L299 HydrophobicContact CG-CD1 3.86Å
160I98.8Very high97.8Very high1 Ų132.9 Ų32.91%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-136.7119.1178-52.9-171.2000109.4L10 F164 I172 I175 F186 M187 M188 N189L10-I160 HydrophobicContact CB-CD1 3.98Å; L10-I160 HydrophobicContact CB-CG1 4.01Å; L10-I160 HydrophobicContact CD2-CD1 3.97Å; L10-I160 HydrophobicContact CG-CD1 4.37Å; I160-F164 HydrophobicContact CG2-CB 3.88Å; I160-F164 HydrophobicContact CG2-CD1 4.32Å; I160-F164 HydrophobicContact CG2-CG 4.44Å; I160-I172 HydrophobicContact CD1-CB 4.48Å; I160-I172 HydrophobicContact CD1-CG1 4.32Å; I160-I172 HydrophobicContact CD1-CG2 4.32Å; I160-I172 HydrophobicContact CG2-CD1 4.37Å; I160-I172 HydrophobicContact CG2-CG1 4.17Å; I160-I175 HydrophobicContact CD1-CB 4.33Å; I160-I175 HydrophobicContact CD1-CG2 4.33Å; I160-F186 HydrophobicContact CD1-CE2 3.68Å; I160-F186 HydrophobicContact CD1-CZ 4.03Å; I160-F186 HydrophobicContact CG1-CE2 3.89Å; I160-F186 HydrophobicContact CG1-CZ 4.3Å; I160-M187 PolarHBondContact N-O 3.1Å; I160-M188 HydrophobicContact CB-CE 4.5Å; I160-M188 HydrophobicContact CG2-CE 4.31Å; I160-M188 VanDerWaalsContact O-CA 3.23Å; I160-M188 WeakPolarHBondContact O-CA 3.49Å; I160-M188 WeakPolarHBondContact O-CG 3.45Å; I160-N189 PolarHBondContact O-N 3.16Å
161A98.3Very high97.8Very high1 Ų126.3 Ų26.31%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-69143168.700000111S63 T64 F163 F164 S191S63-A161 WeakPolarHBondContact OG-CB 3.31Å; T64-A161 WeakPolarHBondContact OG1-CB 3.4Å; T64-A161 PolarHBondContact OG1-N 3.21Å; T64-A161 VanDerWaalsContact OG1-N 3.12Å; A161-F163 HydrophobicContact CB-CD2 4.48Å; A161-F163 PolarHBondContact O-N 3.36Å; A161-F163 VanDerWaalsContact O-N 3.08Å; A161-F164 WeakPolarHBondContact O-CB 3.38Å; A161-F164 PolarHBondContact O-N 2.77Å; A161-S191 WeakPolarHBondContact CB-OG 3.02Å
162G97.5Very high97.8Very high0 Ų025.9 Ų25.90%014%0.136CC..G310 helixtrans-57.6-23179.200000114F164 I165 N189 S191 I195G162-F164 PolarHBondContact O-N 3.37Å; G162-I165 WeakPolarHBondContact O-CB 3.33Å; G162-I165 WeakPolarHBondContact O-CD1 3.26Å; G162-I165 WeakPolarHBondContact O-CG1 3.24Å; G162-I165 PolarHBondContact O-N 2.92Å; G162-N189 VanDerWaalsContact CA-O 3.31Å; G162-N189 WeakPolarHBondContact CA-O 3.47Å; G162-N189 PolarHBondContact N-O 2.74Å; G162-S191 PolarHBondContact N-OG 3.21Å; G162-I195 WeakPolarHBondContact O-CG2 3.18Å
163F96.6Very high97.8Very high52 Ų5227.3 Ų27.323%0.22814%0.143CC..G310 helixtrans-54.4-26.7172.3-69.2-63.2000113.9N12 A161 I165 S166 S191 A192 F194 I195N12-F163 PolarHBondContact ND2-O 3.43Å; A161-F163 HydrophobicContact CB-CD2 4.48Å; A161-F163 PolarHBondContact O-N 3.36Å; A161-F163 VanDerWaalsContact O-N 3.08Å; F163-I165 PolarHBondContact O-N 3.14Å; F163-S166 PolarHBondContact O-N 3.17Å; F163-S191 WeakPolarHBondContact CE2-O 3.45Å; F163-S191 WeakPolarHBondContact CZ-O 3.41Å; F163-A192 HydrophobicContact CE1-CB 3.75Å; F163-A192 HydrophobicContact CZ-CB 3.9Å; F163-F194 HydrophobicContact CD1-CZ 4.29Å; F163-F194 HydrophobicContact CE1-CE1 4.04Å; F163-F194 HydrophobicContact CE1-CZ 4.17Å; F163-I195 HydrophobicContact CD1-CD1 4.41Å; F163-I195 HydrophobicContact CD1-CG1 3.96Å; F163-I195 HydrophobicContact CE1-CG1 4.26Å
164F97.8Very high97.8Very high1 Ų125.1 Ų25.10%0.00413%0.133CC..G310 helixtrans-72.6-12.6179.6-160.9-111.8000113.6L10 G11 N12 F138 I160 A161 G162 S166 S167 S168 I172L10-F164 HydrophobicContact CD1-CD1 4.47Å; L10-F164 HydrophobicContact CD1-CE1 3.74Å; L10-F164 HydrophobicContact CD1-CE2 4.2Å; L10-F164 HydrophobicContact CD1-CZ 3.58Å; L10-F164 HydrophobicContact CD2-CD1 3.99Å; L10-F164 HydrophobicContact CD2-CE1 3.5Å; L10-F164 VanDerWaalsContact CD2-CE1 3.5Å; L10-F164 HydrophobicContact CD2-CZ 4.21Å; L10-F164 HydrophobicContact CG-CD1 3.78Å; L10-F164 HydrophobicContact CG-CE1 3.44Å; L10-F164 VanDerWaalsContact CG-CE1 3.44Å; L10-F164 HydrophobicContact CG-CE2 4.46Å; L10-F164 HydrophobicContact CG-CG 4.43Å; L10-F164 HydrophobicContact CG-CZ 3.82Å; G11-F164 WeakPolarHBondContact O-CE2 3.41Å; N12-F164 WeakPolarHBondContact OD1-CD2 3.44Å; F138-F164 HydrophobicContact CB-CE2 4.27Å; F138-F164 HydrophobicContact CB-CZ 3.97Å; F138-F164 HydrophobicContact CD1-CE1 4.38Å; F138-F164 AromaticContact CD1-CZ 3.64Å; F138-F164 HydrophobicContact CD1-CZ 3.64Å; F138-F164 HydrophobicContact CE1-CZ 4.28Å; F138-F164 HydrophobicContact CG-CE2 4.36Å; F138-F164 AromaticContact CG-CZ 3.77Å; F138-F164 HydrophobicContact CG-CZ 3.77Å; I160-F164 HydrophobicContact CG2-CB 3.88Å; I160-F164 HydrophobicContact CG2-CD1 4.32Å; I160-F164 HydrophobicContact CG2-CG 4.44Å; A161-F164 WeakPolarHBondContact O-CB 3.38Å; A161-F164 PolarHBondContact O-N 2.77Å; G162-F164 PolarHBondContact O-N 3.37Å; F164-S166 PolarHBondContact O-N 3.07Å; F164-S167 PolarHBondContact O-N 2.85Å; F164-S168 PolarHBondContact O-N 2.85Å; F164-I172 HydrophobicContact CB-CD1 4.39Å; F164-I172 HydrophobicContact CD1-CD1 4.07Å; F164-I172 HydrophobicContact CD1-CG1 3.7Å; F164-I172 HydrophobicContact CE1-CG1 4.39Å
165I96.7Very high97.8Very high11 Ų1122.1 Ų22.16%0.05612%0.119CC..Hα-helixtrans-57.3-40.7175.3-64.6174.8000110.4G162 F163 S167 V169 I172 I195 M198 E201 F202 F205G162-I165 WeakPolarHBondContact O-CB 3.33Å; G162-I165 WeakPolarHBondContact O-CD1 3.26Å; G162-I165 WeakPolarHBondContact O-CG1 3.24Å; G162-I165 PolarHBondContact O-N 2.92Å; F163-I165 PolarHBondContact O-N 3.14Å; I165-S167 PolarHBondContact O-N 3.42Å; I165-V169 HydrophobicContact CG2-CG2 4.11Å; I165-I172 HydrophobicContact CB-CD1 4.42Å; I165-I172 HydrophobicContact CG1-CD1 3.78Å; I165-I195 HydrophobicContact CD1-CG2 4.1Å; I165-M198 HydrophobicContact CB-SD 4.42Å; I165-M198 HydrophobicContact CG2-SD 3.76Å; I165-E201 HydrophobicContact CD1-CB 4.48Å; I165-E201 HydrophobicContact CG2-CB 3.85Å; I165-E201 HydrophobicContact CG2-CG 3.62Å; I165-F202 HydrophobicContact CD1-CE2 3.99Å; I165-F202 HydrophobicContact CD1-CZ 4.03Å; I165-F205 HydrophobicContact CD1-CD2 4.05Å; I165-F205 HydrophobicContact CD1-CE2 3.64Å; I165-F205 HydrophobicContact CG1-CD2 4.35Å; I165-F205 HydrophobicContact CG1-CE2 3.59Å; I165-F205 HydrophobicContact CG1-CZ 4.35Å; I165-F205 HydrophobicContact CG2-CE2 4.33Å
166S92Very high97.8Very high39 Ų3922.1 Ų22.127%0.27312%0.119SC..Hα-helixtrans-64.4-19.1177-55.90000113.8L136 F163 F164L136-S166 VanDerWaalsContact CD2-O 3.3Å; L136-S166 WeakPolarHBondContact CD2-O 3.21Å; F163-S166 PolarHBondContact O-N 3.17Å; F164-S166 PolarHBondContact O-N 3.07Å
167S96.3Very high97.8Very high17 Ų1722.8 Ų22.812%0.11912%0.122CC..Hα-helixtrans-101-48.2-175.5-55.40000112.6N12 A135 F164 I165N12-S167 VanDerWaalsContact CG-OG 3.31Å; N12-S167 PolarHBondContact ND2-OG 3.15Å; N12-S167 WeakPolarHBondContact OD1-CB 3.48Å; N12-S167 PolarHBondContact OD1-OG 3.08Å; A135-S167 WeakPolarHBondContact O-CB 3.4Å; F164-S167 PolarHBondContact O-N 2.85Å; I165-S167 PolarHBondContact O-N 3.42Å
168S97.6Very high97.8Very high12 Ų1221.9 Ų21.98%0.08412%0.119CC..Hα-helixtrans-160.882.7-174.9-159.90000114.1F164 P170 S171 I172F164-S168 PolarHBondContact O-N 2.85Å; S168-P170 VanDerWaalsContact C-CD 3.44Å; S168-P170 VanDerWaalsContact C-N 3.32Å; S168-S171 WeakPolarHBondContact CB-OG 3.23Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 VanDerWaalsContact O-N 3.15Å; S168-S171 WeakPolarHBondContact OG-CB 3.47Å; S168-S171 PolarHBondContact OG-OG 3.08Å; S168-I172 WeakPolarHBondContact O-CG1 3.31Å; S168-I172 PolarHBondContact O-N 2.95Å; S168-I172 VanDerWaalsContact O-N 3.16Å
169V97.9Very high97.8Very high36 Ų3621.8 Ų21.822%0.21812%0.119CC..Hα-helixtrans-50.3-44.2167.5172.50000112.9I165 S171 I172 M173 E201 F205I165-V169 HydrophobicContact CG2-CG2 4.11Å; V169-S171 VanDerWaalsContact C-N 3.3Å; V169-S171 PolarHBondContact O-N 2.74Å; V169-I172 PolarHBondContact O-N 2.92Å; V169-M173 HydrophobicContact CG1-CG 4.41Å; V169-M173 WeakPolarHBondContact O-CG 3.33Å; V169-M173 PolarHBondContact O-N 3.2Å; V169-E201 HydrophobicContact CG2-CG 4.37Å; V169-F205 HydrophobicContact CB-CZ 4.29Å; V169-F205 HydrophobicContact CG1-CE1 3.95Å; V169-F205 HydrophobicContact CG1-CZ 3.8Å; V169-F205 HydrophobicContact CG2-CZ 4.06Å
170P98.2Very high97.8Very high80 Ų8022.9 Ų22.952%0.51913%0.126SC..Hα-helixtrans-59.9-37.9178.3-25.736.3000113.6S168 M173 E174S168-P170 VanDerWaalsContact C-CD 3.44Å; S168-P170 VanDerWaalsContact C-N 3.32Å; P170-M173 PolarHBondContact O-N 3.41Å; P170-E174 PolarHBondContact O-N 3.32Å
171S98.6Very high97.8Very high0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-71.8-34.2179.1-56.90000112.3V140 S168 V169 I175V140-S171 WeakPolarHBondContact CA-OG 3.32Å; V140-S171 PolarHBondContact N-OG 3.08Å; S168-S171 WeakPolarHBondContact CB-OG 3.23Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 VanDerWaalsContact O-N 3.15Å; S168-S171 WeakPolarHBondContact OG-CB 3.47Å; S168-S171 PolarHBondContact OG-OG 3.08Å; V169-S171 VanDerWaalsContact C-N 3.3Å; V169-S171 PolarHBondContact O-N 2.74Å; S171-I175 PolarHBondContact O-N 3.02Å
172I98.6Very high97.8Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-61.5-48.4171.3-61.6176.2000109.8I160 F164 I165 S168 V169 E174 I175 A176 F186 M188 F205I160-I172 HydrophobicContact CD1-CB 4.48Å; I160-I172 HydrophobicContact CD1-CG1 4.32Å; I160-I172 HydrophobicContact CD1-CG2 4.32Å; I160-I172 HydrophobicContact CG2-CD1 4.37Å; I160-I172 HydrophobicContact CG2-CG1 4.17Å; F164-I172 HydrophobicContact CB-CD1 4.39Å; F164-I172 HydrophobicContact CD1-CD1 4.07Å; F164-I172 HydrophobicContact CD1-CG1 3.7Å; F164-I172 HydrophobicContact CE1-CG1 4.39Å; I165-I172 HydrophobicContact CB-CD1 4.42Å; I165-I172 HydrophobicContact CG1-CD1 3.78Å; S168-I172 WeakPolarHBondContact O-CG1 3.31Å; S168-I172 PolarHBondContact O-N 2.95Å; S168-I172 VanDerWaalsContact O-N 3.16Å; V169-I172 PolarHBondContact O-N 2.92Å; I172-E174 PolarHBondContact O-N 3.46Å; I172-I175 PolarHBondContact O-N 3.28Å; I172-A176 VanDerWaalsContact O-CB 3.3Å; I172-A176 WeakPolarHBondContact O-CB 3.3Å; I172-A176 PolarHBondContact O-N 3.45Å; I172-F186 HydrophobicContact CG2-CZ 4.17Å; I172-M188 HydrophobicContact CD1-CE 4.3Å; I172-M188 HydrophobicContact CG2-CE 4.04Å; I172-F205 HydrophobicContact CB-CD1 4.46Å; I172-F205 HydrophobicContact CB-CE1 3.99Å; I172-F205 HydrophobicContact CB-CZ 4.32Å; I172-F205 HydrophobicContact CD1-CE2 4.31Å; I172-F205 HydrophobicContact CD1-CZ 4.07Å; I172-F205 HydrophobicContact CG2-CD1 3.61Å; I172-F205 HydrophobicContact CG2-CE1 3.62Å; I172-F205 HydrophobicContact CG2-CG 4.09Å; I172-F205 HydrophobicContact CG2-CZ 4.1Å
173M98.4Very high97.8Very high33 Ų3336.5 Ų36.516%0.16320%0.196CC..Hα-helixtrans-61.7-43-179.8-70.1-57.8-54.300112.2V169 P170 I175 A176 E177 K204 F205 F208V169-M173 HydrophobicContact CG1-CG 4.41Å; V169-M173 WeakPolarHBondContact O-CG 3.33Å; V169-M173 PolarHBondContact O-N 3.2Å; P170-M173 PolarHBondContact O-N 3.41Å; M173-I175 VanDerWaalsContact C-N 3.32Å; M173-I175 PolarHBondContact O-N 2.79Å; M173-A176 PolarHBondContact O-N 3.1Å; M173-E177 HydrophobicContact CE-CG 4.1Å; M173-E177 VanDerWaalsContact CE-OE1 3.22Å; M173-E177 WeakPolarHBondContact CE-OE1 3.3Å; M173-E177 VanDerWaalsContact O-CB 3.3Å; M173-E177 WeakPolarHBondContact O-CB 3.22Å; M173-E177 VanDerWaalsContact O-CG 3.31Å; M173-E177 WeakPolarHBondContact O-CG 3.31Å; M173-E177 PolarHBondContact O-N 2.86Å; M173-K204 HydrophobicContact SD-CB 4.27Å; M173-F205 HydrophobicContact CG-CD1 4.49Å; M173-F205 HydrophobicContact CG-CE1 4.04Å; M173-F205 HydrophobicContact SD-CD1 3.57Å; M173-F205 VanDerWaalsContact SD-CD1 3.57Å; M173-F205 HydrophobicContact SD-CE1 3.66Å; M173-F208 HydrophobicContact CE-CD2 4.47Å; M173-F208 HydrophobicContact CE-CE2 3.69Å; M173-F208 HydrophobicContact CE-CZ 4.04Å
174E98.5Very high97.9Very high51 Ų5134.5 Ų34.524%0.23819%0.187CC..Hα-helixtrans-58.1-43.7178.8-169.8113.7139.300111.8V140 R144 P170 I172 H178V140-E174 HydrophobicContact CG2-CB 4.02Å; V140-E174 HydrophobicContact CG2-CG 4.25Å; R144-E174 WeakPolarHBondContact CG-OE1 3.4Å; R144-E174 IonicContact CZ-OE1 3.53Å; R144-E174 IonicContact CZ-OE2 2.6Å; R144-E174 IonicContact NE-OE1 3.96Å; R144-E174 PolarHBondContact NE-OE1 3.02Å; R144-E174 IonicContact NE-OE2 3.59Å; R144-E174 IonicContact NH2-OE1 3.72Å; R144-E174 PolarHBondContact NH2-OE1 2.84Å; R144-E174 IonicContact NH2-OE2 2.99Å; R144-E174 PolarHBondContact NH2-OE2 2.94Å; P170-E174 PolarHBondContact O-N 3.32Å; I172-E174 PolarHBondContact O-N 3.46Å; E174-H178 VanDerWaalsContact O-CB 3.26Å; E174-H178 WeakPolarHBondContact O-CB 3.35Å; E174-H178 PolarHBondContact O-N 3.33Å; E174-H178 VanDerWaalsContact O-N 3.1Å
175I98.8Very high97.9Very high5 Ų534.8 Ų34.83%0.02619%0.189CC..Hα-helixtrans-70.9-44177.5-63.1-62.7000111.6L10 L143 I152 Y158 I160 S171 I172 M173 H178 A179 F186L10-I175 HydrophobicContact CD2-CG1 4.29Å; L143-I175 HydrophobicContact CD1-CD1 4.13Å; L143-I175 HydrophobicContact CD1-CG1 4.01Å; I152-I175 HydrophobicContact CD1-CD1 3.67Å; I152-I175 HydrophobicContact CG1-CD1 3.79Å; I152-I175 HydrophobicContact CG2-CD1 4.2Å; Y158-I175 HydrophobicContact CD1-CG2 3.55Å; Y158-I175 HydrophobicContact CE1-CG2 4.31Å; Y158-I175 HydrophobicContact CG-CG2 3.67Å; I160-I175 HydrophobicContact CD1-CB 4.33Å; I160-I175 HydrophobicContact CD1-CG2 4.33Å; S171-I175 PolarHBondContact O-N 3.02Å; I172-I175 PolarHBondContact O-N 3.28Å; M173-I175 VanDerWaalsContact C-N 3.32Å; M173-I175 PolarHBondContact O-N 2.79Å; I175-H178 PolarHBondContact O-N 3.28Å; I175-A179 VanDerWaalsContact O-CB 3.32Å; I175-A179 WeakPolarHBondContact O-CB 3.44Å; I175-A179 PolarHBondContact O-N 3.42Å; I175-F186 HydrophobicContact CG2-CD2 4.2Å; I175-F186 HydrophobicContact CG2-CE2 4.1Å
176A98.7Very high98Very high0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-64.5-42.8-178.400000112.2I172 M173 C180 F186 F208I172-A176 VanDerWaalsContact O-CB 3.3Å; I172-A176 WeakPolarHBondContact O-CB 3.3Å; I172-A176 PolarHBondContact O-N 3.45Å; M173-A176 PolarHBondContact O-N 3.1Å; A176-C180 WeakPolarHBondContact O-CB 3.42Å; A176-C180 PolarHBondContact O-N 3.27Å; A176-F186 HydrophobicContact CB-CD1 3.99Å; A176-F186 HydrophobicContact CB-CD2 4.31Å; A176-F186 HydrophobicContact CB-CE1 3.8Å; A176-F186 HydrophobicContact CB-CE2 4.14Å; A176-F186 HydrophobicContact CB-CG 4.26Å; A176-F186 HydrophobicContact CB-CZ 3.9Å; A176-F208 HydrophobicContact CB-CB 3.83Å; A176-F208 HydrophobicContact CB-CD1 4.46Å; A176-F208 HydrophobicContact CB-CD2 4.39Å; A176-F208 HydrophobicContact CB-CG 3.99Å
177E98.5Very high98.4Very high87 Ų8732.5 Ų32.541%0.40717%0.174SC..Hα-helixtrans-67.4-44.7176.4-71.9178.1-172.100111.4M173 A179 C180 N181 F208M173-E177 HydrophobicContact CE-CG 4.1Å; M173-E177 VanDerWaalsContact CE-OE1 3.22Å; M173-E177 WeakPolarHBondContact CE-OE1 3.3Å; M173-E177 VanDerWaalsContact O-CB 3.3Å; M173-E177 WeakPolarHBondContact O-CB 3.22Å; M173-E177 VanDerWaalsContact O-CG 3.31Å; M173-E177 WeakPolarHBondContact O-CG 3.31Å; M173-E177 PolarHBondContact O-N 2.86Å; E177-A179 PolarHBondContact O-N 3.12Å; E177-C180 PolarHBondContact O-N 2.92Å; E177-N181 WeakPolarHBondContact O-CB 3.14Å; E177-N181 PolarHBondContact O-N 3.35Å; E177-N181 PolarHBondContact O-ND2 3.48Å; E177-F208 HydrophobicContact CG-CE1 3.89Å; E177-F208 HydrophobicContact CG-CZ 3.95Å
178H98.7Very high98.5Very high32 Ų3231.7 Ų31.715%0.14817%0.168CC..Hα-helixtrans-56.5-50.7173.7174.582000111.4I152 Q153 Y158 E174 I175 C180 N181 E182 K184I152-H178 HydrophobicContact CG2-CB 4.49Å; I152-H178 VanDerWaalsContact CG2-CD2 3.44Å; I152-H178 WeakPolarHBondContact CG2-CD2 3.4Å; I152-H178 PolarHBondContact O-NE2 2.94Å; Q153-H178 PolarHBondContact OE1-CE1 2.83Å; Y158-H178 AromaticContact CZ-CD2 3.81Å; Y158-H178 PolarHBondContact OH-CD2 2.6Å; Y158-H178 PolarHBondContact OH-NE2 3.41Å; E174-H178 VanDerWaalsContact O-CB 3.26Å; E174-H178 WeakPolarHBondContact O-CB 3.35Å; E174-H178 PolarHBondContact O-N 3.33Å; E174-H178 VanDerWaalsContact O-N 3.1Å; I175-H178 PolarHBondContact O-N 3.28Å; H178-C180 VanDerWaalsContact C-N 3.3Å; H178-C180 PolarHBondContact O-N 3.24Å; H178-N181 PolarHBondContact O-N 3.01Å; H178-E182 WeakPolarHBondContact O-CB 3.48Å; H178-E182 WeakPolarHBondContact O-CG 3.33Å; H178-E182 PolarHBondContact O-N 2.99Å; H178-K184 PolarHBondContact NE2-NZ 2.96Å
179A98.7Very high98.5Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-58.8-43.2-179.700000111.5Y158 I175 E177 N183 K184 F186Y158-A179 HydrophobicContact CD2-CB 3.59Å; Y158-A179 HydrophobicContact CE2-CB 3.7Å; I175-A179 VanDerWaalsContact O-CB 3.32Å; I175-A179 WeakPolarHBondContact O-CB 3.44Å; I175-A179 PolarHBondContact O-N 3.42Å; E177-A179 PolarHBondContact O-N 3.12Å; A179-N183 CarbonylContact O-C 3.57Å; A179-N183 PolarHBondContact O-N 2.76Å; A179-N183 VanDerWaalsContact O-N 3.13Å; A179-K184 HydrophobicContact CB-CB 4.34Å; A179-K184 PolarHBondContact O-N 2.86Å; A179-F186 HydrophobicContact CB-CB 3.95Å
180C98.5Very high98.5Very high23 Ų2330 Ų3016%0.15516%0.157CC..Hα-helixtrans-64.5-47.2176.9-179.50000112.7A176 E177 H178 E182 N183 F208A176-C180 WeakPolarHBondContact O-CB 3.42Å; A176-C180 PolarHBondContact O-N 3.27Å; E177-C180 PolarHBondContact O-N 2.92Å; H178-C180 VanDerWaalsContact C-N 3.3Å; H178-C180 PolarHBondContact O-N 3.24Å; C180-E182 VanDerWaalsContact C-N 3.31Å; C180-E182 PolarHBondContact O-N 3.35Å; C180-N183 PolarHBondContact O-N 3.35Å; C180-N183 VanDerWaalsContact O-N 3.13Å; C180-F208 HydrophobicContact CB-CD1 3.72Å; C180-F208 HydrophobicContact CB-CE1 4.24Å
181N98.3Very high98.4Very high127 Ų12726.8 Ų26.868%0.67914%0.137SC*.Hα-helixtrans-63.9-37.1-177.9-70.3-22.3000112.3E177 H178 N183E177-N181 WeakPolarHBondContact O-CB 3.14Å; E177-N181 PolarHBondContact O-N 3.35Å; E177-N181 PolarHBondContact O-ND2 3.48Å; H178-N181 PolarHBondContact O-N 3.01Å; N181-N183 VanDerWaalsContact C-N 3.29Å
182E98.3Very high98.1Very high94 Ų9426.9 Ų26.944%0.43914%0.137SC..THydrogen-bonded Turntrans-88.14.5178.1-62.4-66.2118.600113Q153 H178 C180 K184Q153-E182 PolarHBondContact NE2-OE2 3.37Å; H178-E182 WeakPolarHBondContact O-CB 3.48Å; H178-E182 WeakPolarHBondContact O-CG 3.33Å; H178-E182 PolarHBondContact O-N 2.99Å; C180-E182 VanDerWaalsContact C-N 3.31Å; C180-E182 PolarHBondContact O-N 3.35Å; E182-K184 VanDerWaalsContact C-N 3.27Å; E182-K184 HydrophobicContact CB-CD 3.8Å; E182-K184 HydrophobicContact CB-CG 3.94Å; E182-K184 PolarHBondContact O-N 3.02Å
183N98.4Very high98Very high67 Ų6729.1 Ų29.136%0.35815%0.152SC..THydrogen-bonded Turntrans5538.5-175.8-171.140.9000113.9A179 C180 N181 N247 N249 R250A179-N183 CarbonylContact O-C 3.57Å; A179-N183 PolarHBondContact O-N 2.76Å; A179-N183 VanDerWaalsContact O-N 3.13Å; C180-N183 PolarHBondContact O-N 3.35Å; C180-N183 VanDerWaalsContact O-N 3.13Å; N181-N183 VanDerWaalsContact C-N 3.29Å; N183-N247 PolarHBondContact OD1-ND2 3.27Å; N183-N247 PolarHBondContact OD1-OD1 3.34Å; N183-N249 WeakPolarHBondContact OD1-CB 3.12Å; N183-N249 PolarHBondContact OD1-ND2 3.15Å; N183-R250 PolarHBondContact O-NH2 3.5Å; N183-R250 PolarHBondContact OD1-NH2 2.88Å; N183-R250 VanDerWaalsContact OD1-NH2 3.15Å
184K98.5Very high97.7Very high10 Ų1030.7 Ų30.74%0.04316%0.158CC..  trans-98.4170.1175.5-64.4172.3175.1-176.70111.3I152 Q153 A155 E156 Y158 H178 A179 E182 R250I152-K184 PolarHBondContact O-NZ 2.8Å; Q153-K184 PolarHBondContact O-NZ 3.2Å; A155-K184 WeakPolarHBondContact O-CD 3.4Å; A155-K184 WeakPolarHBondContact O-CE 3.35Å; A155-K184 PolarHBondContact O-NZ 2.82Å; E156-K184 WeakPolarHBondContact O-CB 3.41Å; Y158-K184 HydrophobicContact CE2-CB 3.84Å; Y158-K184 HydrophobicContact CE2-CD 3.84Å; Y158-K184 WeakPolarHBondContact OH-CD 3.25Å; Y158-K184 PolarHBondContact OH-NZ 2.85Å; H178-K184 PolarHBondContact NE2-NZ 2.96Å; A179-K184 HydrophobicContact CB-CB 4.34Å; A179-K184 PolarHBondContact O-N 2.86Å; E182-K184 VanDerWaalsContact C-N 3.27Å; E182-K184 HydrophobicContact CB-CD 3.8Å; E182-K184 HydrophobicContact CB-CG 3.94Å; E182-K184 PolarHBondContact O-N 3.02Å; K184-R250 VanDerWaalsContact C-NH1 3.29Å; K184-R250 PolarHBondContact O-NH1 3.33Å
185C98.5Very high97.6Very high7 Ų728.3 Ų28.35%0.04715%0.146CC..EExtended strand (participates in β ladder)trans-92.7119.3-171.6-171.10000112.4E156 Y157 Y158 D210E156-C185 PolarHBondContact O-N 3.33Å; Y157-C185 CarbonylContact C-O 3.52Å; Y157-C185 WeakPolarHBondContact CA-O 3.28Å; Y157-C185 HydrophobicContact CD1-CB 3.53Å; Y157-C185 HydrophobicContact CE1-CB 3.9Å; Y157-C185 HydrophobicContact CG-CB 4.39Å; Y158-C185 WeakPolarHBondContact CD2-O 3.41Å; Y158-C185 PolarHBondContact N-O 2.97Å; C185-D210 VanDerWaalsContact CA-OD2 3.27Å; C185-D210 WeakPolarHBondContact CA-OD2 3.08Å
186F98.8Very high97.5Very high1 Ų128 Ų280%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-106.1124.7174.5-176.6-112.5000111.4I160 I172 I175 A176 A179 F208 V209 D210 V211I160-F186 HydrophobicContact CD1-CE2 3.68Å; I160-F186 HydrophobicContact CD1-CZ 4.03Å; I160-F186 HydrophobicContact CG1-CE2 3.89Å; I160-F186 HydrophobicContact CG1-CZ 4.3Å; I172-F186 HydrophobicContact CG2-CZ 4.17Å; I175-F186 HydrophobicContact CG2-CD2 4.2Å; I175-F186 HydrophobicContact CG2-CE2 4.1Å; A176-F186 HydrophobicContact CB-CD1 3.99Å; A176-F186 HydrophobicContact CB-CD2 4.31Å; A176-F186 HydrophobicContact CB-CE1 3.8Å; A176-F186 HydrophobicContact CB-CE2 4.14Å; A176-F186 HydrophobicContact CB-CG 4.26Å; A176-F186 HydrophobicContact CB-CZ 3.9Å; A179-F186 HydrophobicContact CB-CB 3.95Å; F186-F208 HydrophobicContact CD1-CB 4.13Å; F186-V209 HydrophobicContact CD1-CB 4.5Å; F186-V209 HydrophobicContact CD1-CG2 3.91Å; F186-V209 HydrophobicContact CE1-CG2 3.8Å; F186-D210 PolarHBondContact N-OD2 2.84Å; F186-D210 WeakPolarHBondContact O-CB 3.07Å; F186-D210 PolarHBondContact O-N 3.41Å; F186-V211 PolarHBondContact O-N 3.33Å
187M98.9Very high97.4Very high0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-126.2142.7-172.9-52.6170.5-76.200110.3L7 Y157 Y158 Y159 I160 V211 F213 L299 Y302L7-M187 HydrophobicContact CD1-CE 3.97Å; Y157-M187 HydrophobicContact CD1-CE 4.14Å; Y157-M187 HydrophobicContact CG-CE 4.41Å; Y158-M187 WeakPolarHBondContact O-CB 3.31Å; Y158-M187 VanDerWaalsContact O-CE 3.3Å; Y158-M187 WeakPolarHBondContact O-CE 3.35Å; Y158-M187 PolarHBondContact O-N 3.31Å; Y159-M187 VanDerWaalsContact CA-O 3.31Å; Y159-M187 WeakPolarHBondContact CA-O 3.41Å; Y159-M187 HydrophobicContact CD2-CB 4.13Å; I160-M187 PolarHBondContact N-O 3.1Å; M187-V211 CarbonylContact C-O 3.55Å; M187-V211 VanDerWaalsContact CA-O 3.24Å; M187-V211 WeakPolarHBondContact CA-O 3.27Å; M187-V211 HydrophobicContact CB-CB 4.16Å; M187-V211 HydrophobicContact CG-CB 3.77Å; M187-V211 HydrophobicContact CG-CG2 3.92Å; M187-V211 HydrophobicContact SD-CB 4.45Å; M187-V211 HydrophobicContact SD-CG2 4.3Å; M187-F213 HydrophobicContact CB-CE2 4.32Å; M187-L299 HydrophobicContact CE-CD2 3.53Å; M187-L299 HydrophobicContact SD-CD2 3.4Å; M187-L299 WeakPolarHBondContact SD-CD2 3.26Å; M187-Y302 HydrophobicContact SD-CD1 3.85Å; M187-Y302 HydrophobicContact SD-CE1 3.89Å
188M98.8Very high97.3Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-144.9155.7-174.1178.7166.3-114.300111.7I160 I172 F202 F205 V209 V211 L212 F213I160-M188 HydrophobicContact CB-CE 4.5Å; I160-M188 HydrophobicContact CG2-CE 4.31Å; I160-M188 VanDerWaalsContact O-CA 3.23Å; I160-M188 WeakPolarHBondContact O-CA 3.49Å; I160-M188 WeakPolarHBondContact O-CG 3.45Å; I172-M188 HydrophobicContact CD1-CE 4.3Å; I172-M188 HydrophobicContact CG2-CE 4.04Å; M188-F202 HydrophobicContact SD-CE1 4.09Å; M188-F205 HydrophobicContact CE-CD2 4.03Å; M188-F205 HydrophobicContact CE-CG 4.39Å; M188-F205 HydrophobicContact SD-CB 4.03Å; M188-F205 HydrophobicContact SD-CD2 4.2Å; M188-F205 HydrophobicContact SD-CG 4.4Å; M188-V209 HydrophobicContact CB-CG1 4.21Å; M188-V209 HydrophobicContact CB-CG2 3.89Å; M188-V209 HydrophobicContact SD-CG2 4.22Å; M188-V211 PolarHBondContact N-O 3.1Å; M188-L212 HydrophobicContact CB-CD1 4.04Å; M188-L212 HydrophobicContact CG-CD1 4.16Å; M188-L212 CarbonylContact O-C 3.41Å; M188-L212 WeakPolarHBondContact O-CA 3.21Å; M188-F213 WeakPolarHBondContact O-CD2 3.32Å; M188-F213 PolarHBondContact O-N 2.96Å
189N98.7Very high97.2Very high14 Ų1431.4 Ų31.48%0.07517%0.167CC..EExtended strand (participates in β ladder)trans-118.2141.9173.8-167.5-43.4000110.5Y159 I160 G162 S191 F213Y159-N189 HydrophobicContact CE2-CB 4.08Å; Y159-N189 VanDerWaalsContact OH-CB 3.32Å; Y159-N189 WeakPolarHBondContact OH-CB 3.37Å; I160-N189 PolarHBondContact O-N 3.16Å; G162-N189 VanDerWaalsContact CA-O 3.31Å; G162-N189 WeakPolarHBondContact CA-O 3.47Å; G162-N189 PolarHBondContact N-O 2.74Å; N189-S191 VanDerWaalsContact C-N 3.27Å; N189-S191 PolarHBondContact O-N 2.85Å; N189-S191 PolarHBondContact O-OG 3.37Å; N189-S191 WeakPolarHBondContact OD1-CA 3.49Å; N189-S191 PolarHBondContact OD1-N 2.81Å; N189-F213 CarbonylContact C-O 3.54Å; N189-F213 WeakPolarHBondContact CA-O 3.14Å; N189-F213 HydrophobicContact CB-CB 4.13Å; N189-F213 PolarHBondContact OD1-O 3.25Å
190L97.9Very high97.1Very high0 Ų038 Ų380%020%0.197CC..  trans-64.9-29.3173.8-68.8178.5000112.9A192 I195 A196 F202 L212 F213 E218 F222L190-A192 VanDerWaalsContact C-N 3.27Å; L190-A192 PolarHBondContact O-N 2.92Å; L190-I195 VanDerWaalsContact O-CG2 3.3Å; L190-I195 WeakPolarHBondContact O-CG2 3.36Å; L190-A196 HydrophobicContact CB-CB 4.21Å; L190-A196 HydrophobicContact CD2-CB 4.4Å; L190-F202 HydrophobicContact CD2-CD1 4.23Å; L190-F202 HydrophobicContact CD2-CE1 3.62Å; L190-F202 HydrophobicContact CD2-CE2 4.33Å; L190-F202 HydrophobicContact CD2-CZ 3.68Å; L190-L212 HydrophobicContact CD1-CD2 4.49Å; L190-L212 HydrophobicContact CD2-CD1 4.41Å; L190-L212 HydrophobicContact CD2-CD2 3.99Å; L190-L212 HydrophobicContact CG-CD2 4.13Å; L190-L212 HydrophobicContact CG-CG 4.4Å; L190-F213 PolarHBondContact N-O 2.89Å; L190-E218 HydrophobicContact CB-CB 3.84Å; L190-E218 HydrophobicContact CB-CG 4.38Å; L190-E218 HydrophobicContact CD1-CB 4.14Å; L190-F222 HydrophobicContact CD1-CB 4.32Å; L190-F222 HydrophobicContact CD2-CB 4.44Å; L190-F222 HydrophobicContact CD2-CD2 3.81Å; L190-F222 HydrophobicContact CD2-CE2 4.47Å; L190-F222 HydrophobicContact CD2-CG 4.35Å
191S95Very high97Very high12 Ų1239.2 Ų39.28%0.08420%0.201CC..  trans69.7-40.4164.3-71.10000119.1A161 G162 F163 N189 E218A161-S191 WeakPolarHBondContact CB-OG 3.02Å; G162-S191 PolarHBondContact N-OG 3.21Å; F163-S191 WeakPolarHBondContact CE2-O 3.45Å; F163-S191 WeakPolarHBondContact CZ-O 3.41Å; N189-S191 VanDerWaalsContact C-N 3.27Å; N189-S191 PolarHBondContact O-N 2.85Å; N189-S191 PolarHBondContact O-OG 3.37Å; N189-S191 WeakPolarHBondContact OD1-CA 3.49Å; N189-S191 PolarHBondContact OD1-N 2.81Å; S191-E218 PolarHBondContact N-OE2 3.46Å; S191-E218 VanDerWaalsContact O-OE1 3.1Å
192A93.8Very high96.9Very high2 Ų233.2 Ų33.22%0.01717%0.169CC..SBendtrans-164.2153.2174.100000110.3A36 F163 L190 F194 I195 A196 E218A36-A192 HydrophobicContact CB-CB 4.17Å; F163-A192 HydrophobicContact CE1-CB 3.75Å; F163-A192 HydrophobicContact CZ-CB 3.9Å; L190-A192 VanDerWaalsContact C-N 3.27Å; L190-A192 PolarHBondContact O-N 2.92Å; A192-F194 VanDerWaalsContact C-N 3.27Å; A192-F194 HydrophobicContact CB-CD1 3.6Å; A192-F194 HydrophobicContact CB-CE1 3.56Å; A192-F194 PolarHBondContact O-N 2.86Å; A192-F194 VanDerWaalsContact O-N 3.17Å; A192-I195 HydrophobicContact CB-CB 4.41Å; A192-I195 HydrophobicContact CB-CG1 4.18Å; A192-I195 CarbonylContact O-C 3.58Å; A192-I195 WeakPolarHBondContact O-CA 3.46Å; A192-I195 WeakPolarHBondContact O-CB 3.19Å; A192-I195 PolarHBondContact O-N 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.24Å; A192-A196 PolarHBondContact O-N 2.82Å; A192-E218 PolarHBondContact N-OE1 3.17Å
193P94.7Very high96.8Very high46 Ų4631.4 Ų31.430%0.29917%0.167SC..Hα-helixtrans-53.1-39.6178.1-31.337.4000114.6S197 E217 A221P193-S197 WeakPolarHBondContact O-CB 3.44Å; P193-S197 PolarHBondContact O-N 3.23Å; P193-S197 VanDerWaalsContact O-N 3.08Å; P193-S197 PolarHBondContact O-OG 3.09Å; P193-E217 HydrophobicContact CG-CB 4.14Å; P193-A221 HydrophobicContact CB-CB 3.83Å; P193-A221 WeakPolarHBondContact O-CB 3.48Å
194F94Very high96.7Very high67 Ų6733 Ų3329%0.29417%0.17SC..Hα-helixtrans-69.7-33.3178.581.1-89.5000112.5A36 L38 F163 A192 M198A36-F194 HydrophobicContact CB-CE1 4.21Å; A36-F194 WeakPolarHBondContact O-CD1 3.32Å; L38-F194 HydrophobicContact CD1-CE2 4.38Å; L38-F194 HydrophobicContact CG-CE2 4.24Å; L38-F194 HydrophobicContact CG-CZ 4.26Å; F163-F194 HydrophobicContact CD1-CZ 4.29Å; F163-F194 HydrophobicContact CE1-CE1 4.04Å; F163-F194 HydrophobicContact CE1-CZ 4.17Å; A192-F194 VanDerWaalsContact C-N 3.27Å; A192-F194 HydrophobicContact CB-CD1 3.6Å; A192-F194 HydrophobicContact CB-CE1 3.56Å; A192-F194 PolarHBondContact O-N 2.86Å; A192-F194 VanDerWaalsContact O-N 3.17Å; F194-M198 HydrophobicContact CD2-CE 4.28Å; F194-M198 HydrophobicContact CE2-CE 4.43Å
195I95.6Very high96.6Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-71.5-53.1174-64.8-64.7000109.1G162 F163 I165 L190 A192 S197 M198 F202G162-I195 WeakPolarHBondContact O-CG2 3.18Å; F163-I195 HydrophobicContact CD1-CD1 4.41Å; F163-I195 HydrophobicContact CD1-CG1 3.96Å; F163-I195 HydrophobicContact CE1-CG1 4.26Å; I165-I195 HydrophobicContact CD1-CG2 4.1Å; L190-I195 VanDerWaalsContact O-CG2 3.3Å; L190-I195 WeakPolarHBondContact O-CG2 3.36Å; A192-I195 HydrophobicContact CB-CB 4.41Å; A192-I195 HydrophobicContact CB-CG1 4.18Å; A192-I195 CarbonylContact O-C 3.58Å; A192-I195 WeakPolarHBondContact O-CA 3.46Å; A192-I195 WeakPolarHBondContact O-CB 3.19Å; A192-I195 PolarHBondContact O-N 3.31Å; I195-S197 PolarHBondContact O-N 3.18Å; I195-M198 HydrophobicContact CD1-CE 3.82Å; I195-M198 HydrophobicContact CD1-SD 4.13Å; I195-M198 WeakPolarHBondContact O-CB 3.21Å; I195-M198 VanDerWaalsContact O-CG 3.27Å; I195-M198 WeakPolarHBondContact O-CG 3.39Å; I195-M198 PolarHBondContact O-N 2.94Å; I195-F202 HydrophobicContact CG2-CE2 3.99Å; I195-F202 HydrophobicContact CG2-CZ 4.17Å; I195-F202 VanDerWaalsContact O-CE2 3.25Å; I195-F202 WeakPolarHBondContact O-CE2 3.5Å
196A96.7Very high96.5Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-54.7-22.8178.800000113.5L190 A192 M198 E218 A221 F222L190-A196 HydrophobicContact CB-CB 4.21Å; L190-A196 HydrophobicContact CD2-CB 4.4Å; A192-A196 WeakPolarHBondContact O-CB 3.24Å; A192-A196 PolarHBondContact O-N 2.82Å; A196-M198 VanDerWaalsContact C-N 3.34Å; A196-E218 HydrophobicContact CB-CB 4.37Å; A196-E218 VanDerWaalsContact CB-O 3.31Å; A196-E218 WeakPolarHBondContact CB-O 3.45Å; A196-A221 HydrophobicContact CB-CB 4.16Å; A196-F222 HydrophobicContact CB-CB 4.25Å; A196-F222 WeakPolarHBondContact O-CA 3.48Å
197S96.4Very high96.5Very high58 Ų5833.6 Ų33.641%0.40618%0.175SC..THydrogen-bonded Turntrans-80.6-7.3175.1-59.20000114.8P193 I195 K199 S225P193-S197 WeakPolarHBondContact O-CB 3.44Å; P193-S197 PolarHBondContact O-N 3.23Å; P193-S197 VanDerWaalsContact O-N 3.08Å; P193-S197 PolarHBondContact O-OG 3.09Å; I195-S197 PolarHBondContact O-N 3.18Å; S197-K199 PolarHBondContact O-N 2.97Å; S197-S225 WeakPolarHBondContact O-CB 3.34Å
198M96.6Very high96.5Very high50 Ų5034.8 Ų34.825%0.24618%0.18CC..  trans-74.471.4177.2-65.2-177.8177.400111.3I165 F194 I195 A196 E200 E201 F202I165-M198 HydrophobicContact CB-SD 4.42Å; I165-M198 HydrophobicContact CG2-SD 3.76Å; F194-M198 HydrophobicContact CD2-CE 4.28Å; F194-M198 HydrophobicContact CE2-CE 4.43Å; I195-M198 HydrophobicContact CD1-CE 3.82Å; I195-M198 HydrophobicContact CD1-SD 4.13Å; I195-M198 WeakPolarHBondContact O-CB 3.21Å; I195-M198 VanDerWaalsContact O-CG 3.27Å; I195-M198 WeakPolarHBondContact O-CG 3.39Å; I195-M198 PolarHBondContact O-N 2.94Å; A196-M198 VanDerWaalsContact C-N 3.34Å; M198-E200 VanDerWaalsContact C-N 3.33Å; M198-E200 PolarHBondContact O-N 3.01Å; M198-E201 HydrophobicContact CB-CB 4.18Å; M198-E201 HydrophobicContact CB-CG 4.48Å; M198-E201 WeakPolarHBondContact CB-OE2 3.36Å; M198-E201 PolarHBondContact O-N 3.47Å; M198-F202 HydrophobicContact CB-CD2 4.48Å; M198-F202 WeakPolarHBondContact O-CD2 3.32Å; M198-F202 PolarHBondContact O-N 3.13Å
199K96Very high96.5Very high81 Ų8134.8 Ų34.835%0.35218%0.181SC..Hα-helixtrans-53.3-45.2-173.4178.6-177.6-169.8164.80113.4S197 S203 S225 M226S197-K199 PolarHBondContact O-N 2.97Å; K199-S203 VanDerWaalsContact O-CB 3.26Å; K199-S203 WeakPolarHBondContact O-CB 3.31Å; K199-S203 PolarHBondContact O-N 3.45Å; K199-S203 PolarHBondContact O-OG 3.28Å; K199-S225 WeakPolarHBondContact CD-O 3.49Å; K199-M226 HydrophobicContact CD-SD 4.39Å; K199-M226 HydrophobicContact CG-CE 4.04Å; K199-M226 HydrophobicContact CG-SD 3.81Å
200E96.7Very high96.5Very high138 Ų13834.3 Ų34.365%0.64518%0.178SC*.Hα-helixtrans-67.5-40.4-174.1-65.7-173.6-174.400111.6M198 K204M198-E200 VanDerWaalsContact C-N 3.33Å; M198-E200 PolarHBondContact O-N 3.01Å; E200-K204 WeakPolarHBondContact O-CG 3.34Å; E200-K204 PolarHBondContact O-N 3.27Å
201E96.9Very high96.5Very high50 Ų5034.3 Ų34.323%0.23418%0.178CC..Hα-helixtrans-68.2-51.7177.2-68.973.2-159.700110.8I165 V169 M198 S203 K204 F205I165-E201 HydrophobicContact CD1-CB 4.48Å; I165-E201 HydrophobicContact CG2-CB 3.85Å; I165-E201 HydrophobicContact CG2-CG 3.62Å; V169-E201 HydrophobicContact CG2-CG 4.37Å; M198-E201 HydrophobicContact CB-CB 4.18Å; M198-E201 HydrophobicContact CB-CG 4.48Å; M198-E201 WeakPolarHBondContact CB-OE2 3.36Å; M198-E201 PolarHBondContact O-N 3.47Å; E201-S203 VanDerWaalsContact C-N 3.25Å; E201-S203 PolarHBondContact O-N 3.14Å; E201-K204 WeakPolarHBondContact O-CA 3.4Å; E201-K204 WeakPolarHBondContact O-CB 3.5Å; E201-K204 PolarHBondContact O-N 3.36Å; E201-F205 HydrophobicContact CB-CD2 4.49Å; E201-F205 HydrophobicContact CB-CE2 3.74Å; E201-F205 HydrophobicContact CB-CZ 4.29Å; E201-F205 WeakPolarHBondContact O-CD2 3.46Å; E201-F205 WeakPolarHBondContact O-CE2 3.37Å; E201-F205 WeakPolarHBondContact O-CG 3.45Å; E201-F205 PolarHBondContact O-N 3.06Å; E201-F205 VanDerWaalsContact O-N 3.14Å
202F95.6Very high96.7Very high1 Ų133.8 Ų33.80%0.00417%0.174CC..Hα-helixtrans-61.4-34.8177.4-87.1-71.1000112.7I165 M188 L190 I195 M198 K204 F205 L206 F222 M226I165-F202 HydrophobicContact CD1-CE2 3.99Å; I165-F202 HydrophobicContact CD1-CZ 4.03Å; M188-F202 HydrophobicContact SD-CE1 4.09Å; L190-F202 HydrophobicContact CD2-CD1 4.23Å; L190-F202 HydrophobicContact CD2-CE1 3.62Å; L190-F202 HydrophobicContact CD2-CE2 4.33Å; L190-F202 HydrophobicContact CD2-CZ 3.68Å; I195-F202 HydrophobicContact CG2-CE2 3.99Å; I195-F202 HydrophobicContact CG2-CZ 4.17Å; I195-F202 VanDerWaalsContact O-CE2 3.25Å; I195-F202 WeakPolarHBondContact O-CE2 3.5Å; M198-F202 HydrophobicContact CB-CD2 4.48Å; M198-F202 WeakPolarHBondContact O-CD2 3.32Å; M198-F202 PolarHBondContact O-N 3.13Å; F202-K204 PolarHBondContact O-N 2.98Å; F202-F205 PolarHBondContact O-N 3.34Å; F202-L206 WeakPolarHBondContact O-CB 3.48Å; F202-L206 PolarHBondContact O-N 3.26Å; F202-F222 HydrophobicContact CB-CE2 3.85Å; F202-F222 HydrophobicContact CD1-CE2 4.26Å; F202-F222 HydrophobicContact CG-CD2 4.3Å; F202-F222 AromaticContact CG-CE2 3.98Å; F202-F222 HydrophobicContact CG-CE2 3.98Å; F202-M226 HydrophobicContact CB-CE 4.37Å
203S95.9Very high96.9Very high56 Ų5633.8 Ų33.839%0.39217%0.174SC..Hα-helixtrans-62-26.7174.4-610000112.8K199 E201 P207K199-S203 VanDerWaalsContact O-CB 3.26Å; K199-S203 WeakPolarHBondContact O-CB 3.31Å; K199-S203 PolarHBondContact O-N 3.45Å; K199-S203 PolarHBondContact O-OG 3.28Å; E201-S203 VanDerWaalsContact C-N 3.25Å; E201-S203 PolarHBondContact O-N 3.14Å; S203-P207 WeakPolarHBondContact O-CD 3.26Å
204K96.7Very high97.1Very high99 Ų9931.8 Ų31.843%0.4316%0.162SC..Hα-helixtrans-78.4-43174.3-64.7164.4-171.9166.60111.9M173 E200 E201 F202 F208M173-K204 HydrophobicContact SD-CB 4.27Å; E200-K204 WeakPolarHBondContact O-CG 3.34Å; E200-K204 PolarHBondContact O-N 3.27Å; E201-K204 WeakPolarHBondContact O-CA 3.4Å; E201-K204 WeakPolarHBondContact O-CB 3.5Å; E201-K204 PolarHBondContact O-N 3.36Å; F202-K204 PolarHBondContact O-N 2.98Å; K204-F208 WeakPolarHBondContact O-CD2 3.37Å; K204-F208 WeakPolarHBondContact O-CE2 3.33Å
205F96.5Very high97.2Very high0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-83-39-173.2-49.8-43.1000113.6I165 V169 I172 M173 M188 E201 F202 P207 F208 V209I165-F205 HydrophobicContact CD1-CD2 4.05Å; I165-F205 HydrophobicContact CD1-CE2 3.64Å; I165-F205 HydrophobicContact CG1-CD2 4.35Å; I165-F205 HydrophobicContact CG1-CE2 3.59Å; I165-F205 HydrophobicContact CG1-CZ 4.35Å; I165-F205 HydrophobicContact CG2-CE2 4.33Å; V169-F205 HydrophobicContact CB-CZ 4.29Å; V169-F205 HydrophobicContact CG1-CE1 3.95Å; V169-F205 HydrophobicContact CG1-CZ 3.8Å; V169-F205 HydrophobicContact CG2-CZ 4.06Å; I172-F205 HydrophobicContact CB-CD1 4.46Å; I172-F205 HydrophobicContact CB-CE1 3.99Å; I172-F205 HydrophobicContact CB-CZ 4.32Å; I172-F205 HydrophobicContact CD1-CE2 4.31Å; I172-F205 HydrophobicContact CD1-CZ 4.07Å; I172-F205 HydrophobicContact CG2-CD1 3.61Å; I172-F205 HydrophobicContact CG2-CE1 3.62Å; I172-F205 HydrophobicContact CG2-CG 4.09Å; I172-F205 HydrophobicContact CG2-CZ 4.1Å; M173-F205 HydrophobicContact CG-CD1 4.49Å; M173-F205 HydrophobicContact CG-CE1 4.04Å; M173-F205 HydrophobicContact SD-CD1 3.57Å; M173-F205 VanDerWaalsContact SD-CD1 3.57Å; M173-F205 HydrophobicContact SD-CE1 3.66Å; M188-F205 HydrophobicContact CE-CD2 4.03Å; M188-F205 HydrophobicContact CE-CG 4.39Å; M188-F205 HydrophobicContact SD-CB 4.03Å; M188-F205 HydrophobicContact SD-CD2 4.2Å; M188-F205 HydrophobicContact SD-CG 4.4Å; E201-F205 HydrophobicContact CB-CD2 4.49Å; E201-F205 HydrophobicContact CB-CE2 3.74Å; E201-F205 HydrophobicContact CB-CZ 4.29Å; E201-F205 WeakPolarHBondContact O-CD2 3.46Å; E201-F205 WeakPolarHBondContact O-CE2 3.37Å; E201-F205 WeakPolarHBondContact O-CG 3.45Å; E201-F205 PolarHBondContact O-N 3.06Å; E201-F205 VanDerWaalsContact O-N 3.14Å; F202-F205 PolarHBondContact O-N 3.34Å; F205-P207 VanDerWaalsContact C-N 3.29Å; F205-P207 VanDerWaalsContact O-N 3.14Å; F205-F208 WeakPolarHBondContact O-CB 3.48Å; F205-F208 PolarHBondContact O-N 2.83Å; F205-V209 PolarHBondContact O-N 2.96Å
206L97.2Very high97.3Very high1 Ų134.1 Ų34.11%0.00518%0.175CC..G310 helixtrans-54.4-36.8-171.1-170.460.8000113.8F202 F208 V209 L212 F222 I240 F243 R252F202-L206 WeakPolarHBondContact O-CB 3.48Å; F202-L206 PolarHBondContact O-N 3.26Å; L206-F208 PolarHBondContact O-N 3.09Å; L206-F208 VanDerWaalsContact O-N 3.08Å; L206-V209 HydrophobicContact CD1-CB 4.49Å; L206-V209 PolarHBondContact O-N 3.12Å; L206-V209 VanDerWaalsContact O-N 3.14Å; L206-L212 HydrophobicContact CD1-CD2 4.32Å; L206-F222 HydrophobicContact CD2-CZ 3.9Å; L206-I240 HydrophobicContact CD1-CG2 4.27Å; L206-F243 HydrophobicContact CD2-CB 3.64Å; L206-F243 HydrophobicContact CD2-CD1 3.54Å; L206-F243 HydrophobicContact CD2-CD2 3.7Å; L206-F243 HydrophobicContact CD2-CE1 4.02Å; L206-F243 HydrophobicContact CD2-CE2 4.17Å; L206-F243 HydrophobicContact CD2-CG 3.35Å; L206-F243 HydrophobicContact CD2-CZ 4.31Å; L206-F243 HydrophobicContact CG-CB 4.06Å; L206-F243 HydrophobicContact CG-CG 4.29Å; L206-R252 PolarHBondContact O-NH2 3.43Å
207P98Very high97.2Very high30 Ų3039.1 Ų39.120%0.19520%0.198CC..G310 helixtrans-57.2-22.5173.7-26.235.8000115.2S203 F205 P244 K245 K246S203-P207 WeakPolarHBondContact O-CD 3.26Å; F205-P207 VanDerWaalsContact C-N 3.29Å; F205-P207 VanDerWaalsContact O-N 3.14Å; P207-P244 WeakPolarHBondContact CA-O 3.37Å; P207-K245 CarbonylContact O-C 3.56Å; P207-K245 VanDerWaalsContact O-CA 3.31Å; P207-K245 WeakPolarHBondContact O-CA 3.47Å; P207-K246 HydrophobicContact CB-CG 3.8Å; P207-K246 PolarHBondContact O-N 2.76Å
208F98.5Very high97.3Very high25 Ų2537 Ų3711%0.1118%0.182CC..G310 helixtrans-97.2-19179.8-56.2-86.9000113.2M173 A176 E177 C180 F186 K204 F205 L206 D210 K246M173-F208 HydrophobicContact CE-CD2 4.47Å; M173-F208 HydrophobicContact CE-CE2 3.69Å; M173-F208 HydrophobicContact CE-CZ 4.04Å; A176-F208 HydrophobicContact CB-CB 3.83Å; A176-F208 HydrophobicContact CB-CD1 4.46Å; A176-F208 HydrophobicContact CB-CD2 4.39Å; A176-F208 HydrophobicContact CB-CG 3.99Å; E177-F208 HydrophobicContact CG-CE1 3.89Å; E177-F208 HydrophobicContact CG-CZ 3.95Å; C180-F208 HydrophobicContact CB-CD1 3.72Å; C180-F208 HydrophobicContact CB-CE1 4.24Å; F186-F208 HydrophobicContact CD1-CB 4.13Å; K204-F208 WeakPolarHBondContact O-CD2 3.37Å; K204-F208 WeakPolarHBondContact O-CE2 3.33Å; F205-F208 WeakPolarHBondContact O-CB 3.48Å; F205-F208 PolarHBondContact O-N 2.83Å; L206-F208 PolarHBondContact O-N 3.09Å; L206-F208 VanDerWaalsContact O-N 3.08Å; F208-D210 PolarHBondContact O-N 2.94Å; F208-K246 HydrophobicContact CD1-CB 4.23Å; F208-K246 HydrophobicContact CD1-CG 4.42Å; F208-K246 HydrophobicContact CE1-CB 4.17Å; F208-K246 HydrophobicContact CE1-CG 4.04Å; F208-K246 HydrophobicContact CZ-CG 4.17Å
209V98.5Very high97.3Very high1 Ų134.7 Ų34.71%0.00617%0.17CC..  trans-73.7120.2-174.2179.80000111.2F186 M188 F205 L206 V211 L212 K245 R252F186-V209 HydrophobicContact CD1-CB 4.5Å; F186-V209 HydrophobicContact CD1-CG2 3.91Å; F186-V209 HydrophobicContact CE1-CG2 3.8Å; M188-V209 HydrophobicContact CB-CG1 4.21Å; M188-V209 HydrophobicContact CB-CG2 3.89Å; M188-V209 HydrophobicContact SD-CG2 4.22Å; F205-V209 PolarHBondContact O-N 2.96Å; L206-V209 HydrophobicContact CD1-CB 4.49Å; L206-V209 PolarHBondContact O-N 3.12Å; L206-V209 VanDerWaalsContact O-N 3.14Å; V209-V211 VanDerWaalsContact CG1-O 3.26Å; V209-V211 WeakPolarHBondContact CG1-O 3.29Å; V209-L212 HydrophobicContact CG1-CB 3.87Å; V209-L212 HydrophobicContact CG1-CD1 4.01Å; V209-K245 WeakPolarHBondContact O-CE 3.15Å; V209-R252 PolarHBondContact O-NE 3.11Å
210D98.5Very high97.4Very high4 Ų434.8 Ų34.82%0.02117%0.172CC..SBendtrans-88.7-39.5173.8-66.2-50.3000112.4C185 F186 F208 K245 R250 R252 T253C185-D210 VanDerWaalsContact CA-OD2 3.27Å; C185-D210 WeakPolarHBondContact CA-OD2 3.08Å; F186-D210 PolarHBondContact N-OD2 2.84Å; F186-D210 WeakPolarHBondContact O-CB 3.07Å; F186-D210 PolarHBondContact O-N 3.41Å; F208-D210 PolarHBondContact O-N 2.94Å; D210-K245 IonicContact OD1-NZ 2.75Å; D210-K245 PolarHBondContact OD1-NZ 2.91Å; D210-R250 WeakPolarHBondContact OD1-CD 3.36Å; D210-R250 WeakPolarHBondContact OD1-CG 3.34Å; D210-R250 IonicContact OD1-NH1 4Å; D210-R250 IonicContact OD2-NH1 2.75Å; D210-R250 PolarHBondContact OD2-NH1 3.19Å; D210-R252 CarbonylContact O-C 3.51Å; D210-R252 WeakPolarHBondContact O-CA 3.47Å; D210-T253 PolarHBondContact O-N 3.42Å
211V98.7Very high97.5Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-127.7119.1173.8-169.10000109.3F186 M187 M188 V209 F213 T253 I255 F298 Y302F186-V211 PolarHBondContact O-N 3.33Å; M187-V211 CarbonylContact C-O 3.55Å; M187-V211 VanDerWaalsContact CA-O 3.24Å; M187-V211 WeakPolarHBondContact CA-O 3.27Å; M187-V211 HydrophobicContact CB-CB 4.16Å; M187-V211 HydrophobicContact CG-CB 3.77Å; M187-V211 HydrophobicContact CG-CG2 3.92Å; M187-V211 HydrophobicContact SD-CB 4.45Å; M187-V211 HydrophobicContact SD-CG2 4.3Å; M188-V211 PolarHBondContact N-O 3.1Å; V209-V211 VanDerWaalsContact CG1-O 3.26Å; V209-V211 WeakPolarHBondContact CG1-O 3.29Å; V211-F213 HydrophobicContact CB-CE2 4.29Å; V211-F213 HydrophobicContact CB-CZ 4.48Å; V211-F213 HydrophobicContact CG1-CD2 4.38Å; V211-F213 HydrophobicContact CG1-CE1 4.12Å; V211-F213 HydrophobicContact CG1-CE2 3.72Å; V211-F213 HydrophobicContact CG1-CZ 3.57Å; V211-T253 CarbonylContact C-O 3.57Å; V211-T253 VanDerWaalsContact CA-O 3.29Å; V211-T253 WeakPolarHBondContact CA-O 3.29Å; V211-T253 HydrophobicContact CG1-CG2 4.33Å; V211-I255 HydrophobicContact CG1-CD1 3.99Å; V211-F298 HydrophobicContact CG1-CE1 4.47Å; V211-Y302 HydrophobicContact CG2-CE1 3.88Å
212L98.8Very high97.5Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-108.9127174.6-167.675.6000110M188 L190 L206 V209 I240 T253 V254 I255M188-L212 HydrophobicContact CB-CD1 4.04Å; M188-L212 HydrophobicContact CG-CD1 4.16Å; M188-L212 CarbonylContact O-C 3.41Å; M188-L212 WeakPolarHBondContact O-CA 3.21Å; L190-L212 HydrophobicContact CD1-CD2 4.49Å; L190-L212 HydrophobicContact CD2-CD1 4.41Å; L190-L212 HydrophobicContact CD2-CD2 3.99Å; L190-L212 HydrophobicContact CG-CD2 4.13Å; L190-L212 HydrophobicContact CG-CG 4.4Å; L206-L212 HydrophobicContact CD1-CD2 4.32Å; V209-L212 HydrophobicContact CG1-CB 3.87Å; V209-L212 HydrophobicContact CG1-CD1 4.01Å; L212-I240 HydrophobicContact CD2-CD1 4.32Å; L212-I240 HydrophobicContact CD2-CG2 3.45Å; L212-I240 VanDerWaalsContact CD2-CG2 3.45Å; L212-T253 PolarHBondContact N-O 3.29Å; L212-V254 WeakPolarHBondContact O-CA 3.34Å; L212-I255 PolarHBondContact O-N 2.88Å
213F98.9Very high97.7Very high3 Ų326 Ų261%0.01313%0.132CC..EExtended strand (participates in β ladder)trans-103152.7172.4-56.2-87.4000110.5Y159 M187 M188 N189 L190 V211 I255 F294 V295 F298Y159-F213 HydrophobicContact CD2-CE2 4.47Å; Y159-F213 HydrophobicContact CE2-CD2 4.09Å; Y159-F213 HydrophobicContact CE2-CE2 4.37Å; M187-F213 HydrophobicContact CB-CE2 4.32Å; M188-F213 WeakPolarHBondContact O-CD2 3.32Å; M188-F213 PolarHBondContact O-N 2.96Å; N189-F213 CarbonylContact C-O 3.54Å; N189-F213 WeakPolarHBondContact CA-O 3.14Å; N189-F213 HydrophobicContact CB-CB 4.13Å; N189-F213 PolarHBondContact OD1-O 3.25Å; L190-F213 PolarHBondContact N-O 2.89Å; V211-F213 HydrophobicContact CB-CE2 4.29Å; V211-F213 HydrophobicContact CB-CZ 4.48Å; V211-F213 HydrophobicContact CG1-CD2 4.38Å; V211-F213 HydrophobicContact CG1-CE1 4.12Å; V211-F213 HydrophobicContact CG1-CE2 3.72Å; V211-F213 HydrophobicContact CG1-CZ 3.57Å; F213-I255 WeakPolarHBondContact CA-O 3.49Å; F213-I255 HydrophobicContact CD1-CB 4Å; F213-I255 HydrophobicContact CD1-CD1 4.14Å; F213-I255 HydrophobicContact CD1-CG2 4.25Å; F213-I255 HydrophobicContact CE1-CB 4.38Å; F213-I255 HydrophobicContact CE1-CD1 3.63Å; F213-I255 HydrophobicContact CZ-CD1 4.38Å; F213-F294 HydrophobicContact CD1-CE1 4.16Å; F213-F294 HydrophobicContact CE1-CE1 4.37Å; F213-V295 HydrophobicContact CB-CG2 4.16Å; F213-V295 HydrophobicContact CD1-CG2 4.02Å; F213-V295 HydrophobicContact CD2-CG1 4.42Å; F213-V295 HydrophobicContact CD2-CG2 4.3Å; F213-V295 HydrophobicContact CE2-CG1 4.28Å; F213-V295 HydrophobicContact CG-CG2 3.91Å; F213-V295 HydrophobicContact CZ-CG1 4.49Å; F213-F298 HydrophobicContact CE1-CB 4.4Å; F213-F298 AromaticContact CE1-CD1 3.76Å; F213-F298 HydrophobicContact CE1-CD1 3.76Å; F213-F298 HydrophobicContact CE1-CD2 4.25Å; F213-F298 HydrophobicContact CE1-CE1 4.07Å; F213-F298 AromaticContact CE1-CG 3.87Å; F213-F298 HydrophobicContact CE1-CG 3.87Å; F213-F298 HydrophobicContact CE1-CZ 4.44Å; F213-F298 AromaticContact CZ-CD1 3.49Å; F213-F298 HydrophobicContact CZ-CD1 3.49Å; F213-F298 VanDerWaalsContact CZ-CD1 3.49Å; F213-F298 AromaticContact CZ-CE1 3.69Å; F213-F298 HydrophobicContact CZ-CE1 3.69Å; F213-F298 HydrophobicContact CZ-CG 4.08Å; F213-F298 HydrophobicContact CZ-CZ 4.41Å
214G98Very high97.8Very high4 Ų430.5 Ų30.54%0.04114%0.141CC..EExtended strand (participates in β ladder)trans-172.8178.2164.500000111.2E218 I255 I256 T257G214-E218 WeakPolarHBondContact CA-OE2 3.11Å; G214-I255 PolarHBondContact N-O 2.66Å; G214-I255 VanDerWaalsContact N-O 3.07Å; G214-I256 CarbonylContact O-C 3.5Å; G214-I256 VanDerWaalsContact O-CA 3.27Å; G214-I256 WeakPolarHBondContact O-CA 3.34Å; G214-T257 PolarHBondContact O-N 2.93Å; G214-T257 PolarHBondContact O-OG1 3.11Å
215N96.9Very high97.8Very high48 Ų4826.9 Ų26.926%0.25713%0.127SC..EExtended strand (participates in β ladder)trans-104.1176.1165.367.335.3000111.9E217 E218 A219 I256 T257N215-E217 PolarHBondContact O-N 2.92Å; N215-E217 PolarHBondContact OD1-N 3.45Å; N215-E217 VanDerWaalsContact OD1-N 3.11Å; N215-E218 VanDerWaalsContact CG-CD 3.49Å; N215-E218 PolarHBondContact N-OE2 3.31Å; N215-E218 PolarHBondContact ND2-OE1 3.29Å; N215-E218 VanDerWaalsContact ND2-OE1 3.11Å; N215-E218 PolarHBondContact O-N 2.87Å; N215-E218 WeakPolarHBondContact OD1-CB 3.42Å; N215-E218 WeakPolarHBondContact OD1-CG 3.44Å; N215-E218 PolarHBondContact OD1-N 3.27Å; N215-A219 VanDerWaalsContact O-CB 3.27Å; N215-A219 WeakPolarHBondContact O-CB 3.35Å; N215-A219 PolarHBondContact O-N 3.27Å; N215-I256 VanDerWaalsContact C-CG2 3.48Å; N215-T257 WeakPolarHBondContact CA-O 3.18Å
216E97Very high97.8Very high67 Ų6727.9 Ų27.931%0.31313%0.133SC..Hα-helixtrans-54.2-48.1177.760.4-152.3-157.600113.6E218 A219 E220 V233 T257 Q258E216-E218 PolarHBondContact O-N 2.95Å; E216-A219 PolarHBondContact O-N 3.47Å; E216-E220 WeakPolarHBondContact O-CB 3.44Å; E216-E220 VanDerWaalsContact O-CG 3.31Å; E216-E220 WeakPolarHBondContact O-CG 3.08Å; E216-E220 PolarHBondContact O-N 3.33Å; E216-V233 HydrophobicContact CB-CG2 4.12Å; E216-T257 PolarHBondContact N-O 3.28Å; E216-Q258 HydrophobicContact CB-CG 4.33Å; E216-Q258 WeakPolarHBondContact OE2-CA 3.35Å; E216-Q258 WeakPolarHBondContact OE2-CB 3.43Å; E216-Q258 WeakPolarHBondContact OE2-CG 3.32Å
217E95.5Very high97.8Very high105 Ų10535.8 Ų35.849%0.49117%0.169SC..Hα-helixtrans-65.7-39-177.9-61-168.4169.400112.6P193 N215 A221P193-E217 HydrophobicContact CG-CB 4.14Å; N215-E217 PolarHBondContact O-N 2.92Å; N215-E217 PolarHBondContact OD1-N 3.45Å; N215-E217 VanDerWaalsContact OD1-N 3.11Å; E217-A221 VanDerWaalsContact O-CB 3.3Å; E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.42Å
218E97Very high97.8Very high15 Ų1537.6 Ų37.67%0.0717%0.174CC..Hα-helixtrans-66.4-44.4175.2-71.8163.8-170.800111.4L190 S191 A192 A196 G214 N215 E216 E220 A221 F222L190-E218 HydrophobicContact CB-CB 3.84Å; L190-E218 HydrophobicContact CB-CG 4.38Å; L190-E218 HydrophobicContact CD1-CB 4.14Å; S191-E218 PolarHBondContact N-OE2 3.46Å; S191-E218 VanDerWaalsContact O-OE1 3.1Å; A192-E218 PolarHBondContact N-OE1 3.17Å; A196-E218 HydrophobicContact CB-CB 4.37Å; A196-E218 VanDerWaalsContact CB-O 3.31Å; A196-E218 WeakPolarHBondContact CB-O 3.45Å; G214-E218 WeakPolarHBondContact CA-OE2 3.11Å; N215-E218 VanDerWaalsContact CG-CD 3.49Å; N215-E218 PolarHBondContact N-OE2 3.31Å; N215-E218 PolarHBondContact ND2-OE1 3.29Å; N215-E218 VanDerWaalsContact ND2-OE1 3.11Å; N215-E218 PolarHBondContact O-N 2.87Å; N215-E218 WeakPolarHBondContact OD1-CB 3.42Å; N215-E218 WeakPolarHBondContact OD1-CG 3.44Å; N215-E218 PolarHBondContact OD1-N 3.27Å; E216-E218 PolarHBondContact O-N 2.95Å; E218-E220 VanDerWaalsContact C-N 3.35Å; E218-A221 PolarHBondContact O-N 3.3Å; E218-F222 WeakPolarHBondContact O-CB 3.31Å; E218-F222 PolarHBondContact O-N 2.67Å
219A98.3Very high97.7Very high0 Ų045.5 Ų45.50%021%0.209CC..Hα-helixtrans-61.4-45.5176.300000110.4N215 E216 A221 F222 A223 I236 I256N215-A219 VanDerWaalsContact O-CB 3.27Å; N215-A219 WeakPolarHBondContact O-CB 3.35Å; N215-A219 PolarHBondContact O-N 3.27Å; E216-A219 PolarHBondContact O-N 3.47Å; A219-A221 PolarHBondContact O-N 2.87Å; A219-F222 WeakPolarHBondContact O-CB 3.14Å; A219-F222 PolarHBondContact O-N 3.01Å; A219-A223 PolarHBondContact O-N 2.88Å; A219-I236 HydrophobicContact CB-CG2 3.85Å; A219-I236 WeakPolarHBondContact O-CG2 3.21Å; A219-I256 HydrophobicContact CB-CD1 4.03Å; A219-I256 HydrophobicContact CB-CG1 4.39Å; A219-I256 HydrophobicContact CB-CG2 4.13Å
220E98.1Very high97.5Very high83 Ų8347 Ų4739%0.38822%0.221SC..Hα-helixtrans-61.9-43.1174.5-73.4-176.2-177.300112.9E216 E218 F222 A223 R224 I236E216-E220 WeakPolarHBondContact O-CB 3.44Å; E216-E220 VanDerWaalsContact O-CG 3.31Å; E216-E220 WeakPolarHBondContact O-CG 3.08Å; E216-E220 PolarHBondContact O-N 3.33Å; E218-E220 VanDerWaalsContact C-N 3.35Å; E220-F222 VanDerWaalsContact C-N 3.31Å; E220-F222 PolarHBondContact O-N 3.22Å; E220-A223 PolarHBondContact O-N 2.91Å; E220-R224 WeakPolarHBondContact O-CB 3.33Å; E220-R224 VanDerWaalsContact O-CG 3.31Å; E220-R224 WeakPolarHBondContact O-CG 3.48Å; E220-R224 PolarHBondContact O-N 2.96Å; E220-R224 IonicContact OE2-CZ 3.93Å; E220-R224 IonicContact OE2-NH1 2.77Å; E220-R224 PolarHBondContact OE2-NH1 2.88Å; E220-I236 HydrophobicContact CB-CD1 4.45Å; E220-I236 HydrophobicContact CG-CD1 3.99Å
221A97.4Very high97.3Very high1 Ų155.6 Ų55.61%0.00826%0.261CS..Hα-helixtrans-62.1-41.1176.800000111.5P193 A196 E217 E218 A219 R224 S225P193-A221 HydrophobicContact CB-CB 3.83Å; P193-A221 WeakPolarHBondContact O-CB 3.48Å; A196-A221 HydrophobicContact CB-CB 4.16Å; E217-A221 VanDerWaalsContact O-CB 3.3Å; E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.42Å; E218-A221 PolarHBondContact O-N 3.3Å; A219-A221 PolarHBondContact O-N 2.87Å; A221-R224 PolarHBondContact O-N 3.38Å; A221-S225 PolarHBondContact O-N 3.49Å
222F98.3Very high97.3Very high0 Ų057.8 Ų57.80%028%0.276CS..Hα-helixtrans-60.5-49.8172.4-178.2-85.1000112L190 A196 F202 L206 E218 A219 E220 R224 S225 M226 F239 I240 F243L190-F222 HydrophobicContact CD1-CB 4.32Å; L190-F222 HydrophobicContact CD2-CB 4.44Å; L190-F222 HydrophobicContact CD2-CD2 3.81Å; L190-F222 HydrophobicContact CD2-CE2 4.47Å; L190-F222 HydrophobicContact CD2-CG 4.35Å; A196-F222 HydrophobicContact CB-CB 4.25Å; A196-F222 WeakPolarHBondContact O-CA 3.48Å; F202-F222 HydrophobicContact CB-CE2 3.85Å; F202-F222 HydrophobicContact CD1-CE2 4.26Å; F202-F222 HydrophobicContact CG-CD2 4.3Å; F202-F222 AromaticContact CG-CE2 3.98Å; F202-F222 HydrophobicContact CG-CE2 3.98Å; L206-F222 HydrophobicContact CD2-CZ 3.9Å; E218-F222 WeakPolarHBondContact O-CB 3.31Å; E218-F222 PolarHBondContact O-N 2.67Å; A219-F222 WeakPolarHBondContact O-CB 3.14Å; A219-F222 PolarHBondContact O-N 3.01Å; E220-F222 VanDerWaalsContact C-N 3.31Å; E220-F222 PolarHBondContact O-N 3.22Å; F222-R224 VanDerWaalsContact C-N 3.33Å; F222-R224 PolarHBondContact O-N 2.8Å; F222-S225 PolarHBondContact O-N 2.87Å; F222-S225 PolarHBondContact O-OG 3.37Å; F222-M226 HydrophobicContact CD1-CG 4.11Å; F222-M226 HydrophobicContact CE1-CE 4.26Å; F222-M226 HydrophobicContact CE1-CG 3.65Å; F222-M226 HydrophobicContact CE2-CE 3.68Å; F222-M226 HydrophobicContact CE2-CG 4.49Å; F222-M226 HydrophobicContact CZ-CE 3.49Å; F222-M226 VanDerWaalsContact CZ-CE 3.49Å; F222-M226 HydrophobicContact CZ-CG 3.88Å; F222-M226 HydrophobicContact CZ-SD 4.48Å; F222-M226 WeakPolarHBondContact O-CG 3.47Å; F222-M226 PolarHBondContact O-N 3.14Å; F222-F239 HydrophobicContact CE1-CE1 4.22Å; F222-I240 HydrophobicContact CD1-CD1 3.9Å; F222-I240 HydrophobicContact CD1-CG1 3.74Å; F222-I240 HydrophobicContact CE1-CD1 4.22Å; F222-I240 HydrophobicContact CE1-CG1 3.58Å; F222-I240 HydrophobicContact CG-CD1 4.44Å; F222-I240 HydrophobicContact CZ-CG1 4.37Å; F222-F243 HydrophobicContact CE1-CE2 4.24Å; F222-F243 HydrophobicContact CE1-CZ 4.41Å; F222-F243 HydrophobicContact CZ-CE2 4.45Å; F222-F243 HydrophobicContact CZ-CZ 4.39Å
223A98.3Very high97.2Very high4 Ų458.8 Ų58.83%0.03328%0.282CS..Hα-helixtrans-59-44.4178.800000111.7A219 E220 S225 M226 Q227 F228 I236A219-A223 PolarHBondContact O-N 2.88Å; E220-A223 PolarHBondContact O-N 2.91Å; A223-S225 PolarHBondContact O-N 2.85Å; A223-M226 CarbonylContact O-C 3.49Å; A223-M226 PolarHBondContact O-N 3.24Å; A223-Q227 PolarHBondContact O-N 3.24Å; A223-Q227 VanDerWaalsContact O-N 3.13Å; A223-F228 HydrophobicContact CB-CB 4.48Å; A223-F228 HydrophobicContact CB-CD1 4.32Å; A223-F228 PolarHBondContact O-N 3.08Å; A223-I236 HydrophobicContact CB-CD1 3.99Å; A223-I236 HydrophobicContact CB-CG1 3.89Å; A223-I236 HydrophobicContact CB-CG2 4.02Å
224R98.1Very high97.2Very high151 Ų15160.1 Ų60.157%0.5729%0.291SS*.Hα-helixtrans-59.5-45.1175.4-74.2-174-66.5-103.80.1111.9E220 A221 F222 M226 Q227E220-R224 WeakPolarHBondContact O-CB 3.33Å; E220-R224 VanDerWaalsContact O-CG 3.31Å; E220-R224 WeakPolarHBondContact O-CG 3.48Å; E220-R224 PolarHBondContact O-N 2.96Å; E220-R224 IonicContact OE2-CZ 3.93Å; E220-R224 IonicContact OE2-NH1 2.77Å; E220-R224 PolarHBondContact OE2-NH1 2.88Å; A221-R224 PolarHBondContact O-N 3.38Å; F222-R224 VanDerWaalsContact C-N 3.33Å; F222-R224 PolarHBondContact O-N 2.8Å; R224-M226 VanDerWaalsContact C-N 3.28Å; R224-M226 PolarHBondContact O-N 2.89Å; R224-Q227 PolarHBondContact O-N 3.35Å
225S97.6Very high97.2Very high22 Ų2262 Ų6215%0.15430%0.3CS..Hα-helixtrans-65.3-34.2179.183.10000112.2S197 K199 A221 F222 A223 Q227S197-S225 WeakPolarHBondContact O-CB 3.34Å; K199-S225 WeakPolarHBondContact CD-O 3.49Å; A221-S225 PolarHBondContact O-N 3.49Å; F222-S225 PolarHBondContact O-N 2.87Å; F222-S225 PolarHBondContact O-OG 3.37Å; A223-S225 PolarHBondContact O-N 2.85Å; S225-Q227 PolarHBondContact O-N 2.88Å
226M97Very high97.3Very high22 Ų2260 Ų6011%0.10829%0.289CS..THydrogen-bonded Turntrans-77.9-1.9174.4-66.2-62.9176.400113.8K199 F202 F222 A223 R224 F228 F239 F243K199-M226 HydrophobicContact CD-SD 4.39Å; K199-M226 HydrophobicContact CG-CE 4.04Å; K199-M226 HydrophobicContact CG-SD 3.81Å; F202-M226 HydrophobicContact CB-CE 4.37Å; F222-M226 HydrophobicContact CD1-CG 4.11Å; F222-M226 HydrophobicContact CE1-CE 4.26Å; F222-M226 HydrophobicContact CE1-CG 3.65Å; F222-M226 HydrophobicContact CE2-CE 3.68Å; F222-M226 HydrophobicContact CE2-CG 4.49Å; F222-M226 HydrophobicContact CZ-CE 3.49Å; F222-M226 VanDerWaalsContact CZ-CE 3.49Å; F222-M226 HydrophobicContact CZ-CG 3.88Å; F222-M226 HydrophobicContact CZ-SD 4.48Å; F222-M226 WeakPolarHBondContact O-CG 3.47Å; F222-M226 PolarHBondContact O-N 3.14Å; A223-M226 CarbonylContact O-C 3.49Å; A223-M226 PolarHBondContact O-N 3.24Å; R224-M226 VanDerWaalsContact C-N 3.28Å; R224-M226 PolarHBondContact O-N 2.89Å; M226-F228 PolarHBondContact O-N 3.04Å; M226-F239 HydrophobicContact CB-CE1 3.77Å; M226-F239 HydrophobicContact CB-CZ 4Å; M226-F239 HydrophobicContact CG-CE1 4.18Å; M226-F243 HydrophobicContact CE-CZ 4.46Å; M226-F243 HydrophobicContact CG-CZ 4.26Å; M226-F243 HydrophobicContact SD-CE1 4.43Å; M226-F243 HydrophobicContact SD-CZ 4.13Å
227Q96.9Very high97.3Very high167 Ų16756.8 Ų56.878%0.7827%0.274SS*.THydrogen-bonded Turntrans5829.2-174.5-54.1174.3-64.400112.6A223 R224 S225A223-Q227 PolarHBondContact O-N 3.24Å; A223-Q227 VanDerWaalsContact O-N 3.13Å; R224-Q227 PolarHBondContact O-N 3.35Å; S225-Q227 PolarHBondContact O-N 2.88Å
228F97.6Very high97.5Very high68 Ų6856.4 Ų56.430%0.29827%0.272SS..  trans-89.8125.5175.5-177.2-106.5000109.6A223 M226 A230 D235 F239A223-F228 HydrophobicContact CB-CB 4.48Å; A223-F228 HydrophobicContact CB-CD1 4.32Å; A223-F228 PolarHBondContact O-N 3.08Å; M226-F228 PolarHBondContact O-N 3.04Å; F228-A230 HydrophobicContact CD1-CB 4.02Å; F228-A230 HydrophobicContact CE1-CB 3.82Å; F228-A230 PolarHBondContact O-N 2.98Å; F228-D235 HydrophobicContact CE1-CB 4.28Å; F228-F239 HydrophobicContact CB-CD1 3.89Å; F228-F239 HydrophobicContact CB-CE1 3.53Å; F228-F239 HydrophobicContact CB-CE2 4.32Å; F228-F239 HydrophobicContact CB-CG 4.41Å; F228-F239 HydrophobicContact CB-CZ 3.77Å; F228-F239 HydrophobicContact CD1-CB 3.97Å; F228-F239 AromaticContact CD1-CD1 3.68Å; F228-F239 HydrophobicContact CD1-CD1 3.68Å; F228-F239 HydrophobicContact CD1-CD2 4.39Å; F228-F239 HydrophobicContact CD1-CE1 4.24Å; F228-F239 AromaticContact CD1-CG 3.76Å; F228-F239 HydrophobicContact CD1-CG 3.76Å; F228-F239 HydrophobicContact CD2-CB 4.49Å; F228-F239 HydrophobicContact CD2-CD1 4.19Å; F228-F239 AromaticContact CD2-CD2 3.61Å; F228-F239 HydrophobicContact CD2-CD2 3.61Å; F228-F239 HydrophobicContact CD2-CE1 4.3Å; F228-F239 AromaticContact CD2-CE2 3.76Å; F228-F239 HydrophobicContact CD2-CE2 3.76Å; F228-F239 AromaticContact CD2-CG 3.84Å; F228-F239 HydrophobicContact CD2-CG 3.84Å; F228-F239 HydrophobicContact CD2-CZ 4.1Å; F228-F239 HydrophobicContact CE1-CB 3.63Å; F228-F239 HydrophobicContact CE1-CD1 4.25Å; F228-F239 AromaticContact CE1-CG 3.89Å; F228-F239 HydrophobicContact CE1-CG 3.89Å; F228-F239 HydrophobicContact CE2-CB 4.2Å; F228-F239 AromaticContact CE2-CD2 3.76Å; F228-F239 HydrophobicContact CE2-CD2 3.76Å; F228-F239 HydrophobicContact CE2-CE2 4.32Å; F228-F239 AromaticContact CE2-CG 3.99Å; F228-F239 HydrophobicContact CE2-CG 3.99Å; F228-F239 HydrophobicContact CG-CB 4.39Å; F228-F239 AromaticContact CG-CD1 3.64Å; F228-F239 HydrophobicContact CG-CD1 3.64Å; F228-F239 AromaticContact CG-CD2 3.95Å; F228-F239 HydrophobicContact CG-CD2 3.95Å; F228-F239 AromaticContact CG-CE1 3.78Å; F228-F239 HydrophobicContact CG-CE1 3.78Å; F228-F239 HydrophobicContact CG-CE2 4.09Å; F228-F239 AromaticContact CG-CG 3.73Å; F228-F239 HydrophobicContact CG-CG 3.73Å; F228-F239 AromaticContact CG-CZ 4Å; F228-F239 HydrophobicContact CG-CZ 4Å; F228-F239 HydrophobicContact CZ-CB 3.76Å; F228-F239 HydrophobicContact CZ-CD2 4.22Å; F228-F239 HydrophobicContact CZ-CG 4.01Å
229K95.3Very high97.5Very high191 Ų19157.7 Ų57.783%0.8328%0.278SS*.  trans-92.4100.8175.8-174.2-177.8177.5-172.60108.7
230A95.5Very high97.5Very high33 Ų3357.7 Ų57.727%0.27328%0.278SS..  trans-90.9149.1173.500000111.6F228 D235 I236F228-A230 HydrophobicContact CD1-CB 4.02Å; F228-A230 HydrophobicContact CE1-CB 3.82Å; F228-A230 PolarHBondContact O-N 2.98Å; A230-D235 HydrophobicContact CB-CB 4.06Å; A230-I236 HydrophobicContact CB-CD1 3.95Å; A230-I236 HydrophobicContact CB-CG1 3.3Å
231E95.2Very high97.5Very high183 Ų18354.9 Ų54.986%0.85527%0.269SS*.SBendtrans-97.9-20.6168.7-54.9-171.8159.600111.6D235E231-D235 WeakPolarHBondContact CA-OD2 3.33Å; E231-D235 WeakPolarHBondContact CB-OD2 3.22Å; E231-D235 PolarHBondContact N-OD2 3.02Å
232S97.4Very high97.4Very high46 Ų4659 Ų5932%0.32230%0.297SS..SBendtrans-148.4164.5179.779.40000112.9V234 D235 I236S232-V234 PolarHBondContact O-N 2.75Å; S232-V234 WeakPolarHBondContact OG-CB 3.46Å; S232-V234 PolarHBondContact OG-N 3.31Å; S232-D235 PolarHBondContact N-OD2 2.98Å; S232-D235 VanDerWaalsContact N-OD2 3.15Å; S232-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 PolarHBondContact O-N 3.28Å; S232-D235 VanDerWaalsContact OG-CG 3.3Å; S232-D235 PolarHBondContact OG-N 3.33Å; S232-D235 VanDerWaalsContact OG-N 3.15Å; S232-D235 PolarHBondContact OG-OD1 3.23Å; S232-I236 PolarHBondContact O-N 3.34Å
233V97.8Very high97.3Very high21 Ų2161.1 Ų61.113%0.12731%0.307CS..Hα-helixtrans-61.4-29.7170.9177.40000111.6E216 I236 A237 I256 I264E216-V233 HydrophobicContact CB-CG2 4.12Å; V233-I236 PolarHBondContact O-N 3.4Å; V233-A237 PolarHBondContact O-N 3.15Å; V233-I256 HydrophobicContact CG1-CB 4.01Å; V233-I256 HydrophobicContact CG1-CG1 4.4Å; V233-I256 HydrophobicContact CG1-CG2 3.56Å; V233-I264 HydrophobicContact CG1-CG1 4.09Å
234V98.2Very high97.2Very high32 Ų3265.8 Ų65.819%0.19434%0.337CS..Hα-helixtrans-61.7-47.2173.8172.50000110.7S232 I236 A237 E238 I264S232-V234 PolarHBondContact O-N 2.75Å; S232-V234 WeakPolarHBondContact OG-CB 3.46Å; S232-V234 PolarHBondContact OG-N 3.31Å; V234-I236 PolarHBondContact O-N 2.72Å; V234-A237 PolarHBondContact O-N 3.49Å; V234-A237 VanDerWaalsContact O-N 3.1Å; V234-E238 HydrophobicContact CG1-CG 4.33Å; V234-E238 WeakPolarHBondContact O-CG 3.4Å; V234-E238 PolarHBondContact O-N 3.04Å; V234-I264 HydrophobicContact CG2-CD1 3.95Å; V234-I264 HydrophobicContact CG2-CG1 4.3Å; V234-I264 HydrophobicContact CG2-CG2 3.88Å
235D98Very high97.1Very high44 Ų4460.8 Ų60.824%0.23532%0.319CS..Hα-helixtrans-59.7-37.6178.9-51-2.9000111.2F228 A230 E231 S232 F239F228-D235 HydrophobicContact CE1-CB 4.28Å; A230-D235 HydrophobicContact CB-CB 4.06Å; E231-D235 WeakPolarHBondContact CA-OD2 3.33Å; E231-D235 WeakPolarHBondContact CB-OD2 3.22Å; E231-D235 PolarHBondContact N-OD2 3.02Å; S232-D235 PolarHBondContact N-OD2 2.98Å; S232-D235 VanDerWaalsContact N-OD2 3.15Å; S232-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 PolarHBondContact O-N 3.28Å; S232-D235 VanDerWaalsContact OG-CG 3.3Å; S232-D235 PolarHBondContact OG-N 3.33Å; S232-D235 VanDerWaalsContact OG-N 3.15Å; S232-D235 PolarHBondContact OG-OD1 3.23Å; D235-F239 WeakPolarHBondContact O-CB 3.36Å; D235-F239 PolarHBondContact O-N 3.32Å
236I98.4Very high97.1Very high5 Ų566.6 Ų66.63%0.02634%0.342CS..Hα-helixtrans-66.8-46.8177.2-57.9172.7000110.3A219 E220 A223 A230 S232 V233 V234 E238 F239 I240A219-I236 HydrophobicContact CB-CG2 3.85Å; A219-I236 WeakPolarHBondContact O-CG2 3.21Å; E220-I236 HydrophobicContact CB-CD1 4.45Å; E220-I236 HydrophobicContact CG-CD1 3.99Å; A223-I236 HydrophobicContact CB-CD1 3.99Å; A223-I236 HydrophobicContact CB-CG1 3.89Å; A223-I236 HydrophobicContact CB-CG2 4.02Å; A230-I236 HydrophobicContact CB-CD1 3.95Å; A230-I236 HydrophobicContact CB-CG1 3.3Å; S232-I236 PolarHBondContact O-N 3.34Å; V233-I236 PolarHBondContact O-N 3.4Å; V234-I236 PolarHBondContact O-N 2.72Å; I236-E238 VanDerWaalsContact C-N 3.34Å; I236-E238 PolarHBondContact O-N 2.61Å; I236-F239 WeakPolarHBondContact O-CB 3.41Å; I236-F239 PolarHBondContact O-N 2.99Å; I236-I240 HydrophobicContact CG2-CD1 3.86Å; I236-I240 HydrophobicContact CG2-CG1 4.36Å; I236-I240 VanDerWaalsContact O-CG1 3.29Å; I236-I240 WeakPolarHBondContact O-CG1 3.23Å; I236-I240 PolarHBondContact O-N 3.46Å
237A98.5Very high97.1Very high0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-61.9-42.6179.300000111.6V233 V234 I240 A241 V254 I256 I264 V266V233-A237 PolarHBondContact O-N 3.15Å; V234-A237 PolarHBondContact O-N 3.49Å; V234-A237 VanDerWaalsContact O-N 3.1Å; A237-I240 PolarHBondContact O-N 2.76Å; A237-A241 WeakPolarHBondContact O-CB 3.16Å; A237-A241 PolarHBondContact O-N 3.36Å; A237-V254 HydrophobicContact CB-CG1 4.11Å; A237-I256 HydrophobicContact CB-CG1 4.13Å; A237-I264 HydrophobicContact CB-CG2 4.03Å; A237-V266 HydrophobicContact CB-CG2 3.63Å
238E98.2Very high96.9Very high96 Ų9663 Ų6345%0.44934%0.337SS..Hα-helixtrans-65.3-42.2174.8-70.3-175.3157.800111.7V234 I236 A241 S242 V266V234-E238 HydrophobicContact CG1-CG 4.33Å; V234-E238 WeakPolarHBondContact O-CG 3.4Å; V234-E238 PolarHBondContact O-N 3.04Å; I236-E238 VanDerWaalsContact C-N 3.34Å; I236-E238 PolarHBondContact O-N 2.61Å; E238-A241 PolarHBondContact O-N 3.38Å; E238-S242 WeakPolarHBondContact O-CB 3.49Å; E238-S242 PolarHBondContact O-N 3.3Å; E238-V266 HydrophobicContact CG-CG1 4.45Å; E238-V266 HydrophobicContact CG-CG2 3.88Å
239F97.8Very high96.8Very high43 Ų4365.2 Ų65.219%0.18935%0.352CS..Hα-helixtrans-58.4-49.5174.5171.7-117.2000111.4F222 M226 F228 D235 I236 A241 S242 F243F222-F239 HydrophobicContact CE1-CE1 4.22Å; M226-F239 HydrophobicContact CB-CE1 3.77Å; M226-F239 HydrophobicContact CB-CZ 4Å; M226-F239 HydrophobicContact CG-CE1 4.18Å; F228-F239 HydrophobicContact CB-CD1 3.89Å; F228-F239 HydrophobicContact CB-CE1 3.53Å; F228-F239 HydrophobicContact CB-CE2 4.32Å; F228-F239 HydrophobicContact CB-CG 4.41Å; F228-F239 HydrophobicContact CB-CZ 3.77Å; F228-F239 HydrophobicContact CD1-CB 3.97Å; F228-F239 AromaticContact CD1-CD1 3.68Å; F228-F239 HydrophobicContact CD1-CD1 3.68Å; F228-F239 HydrophobicContact CD1-CD2 4.39Å; F228-F239 HydrophobicContact CD1-CE1 4.24Å; F228-F239 AromaticContact CD1-CG 3.76Å; F228-F239 HydrophobicContact CD1-CG 3.76Å; F228-F239 HydrophobicContact CD2-CB 4.49Å; F228-F239 HydrophobicContact CD2-CD1 4.19Å; F228-F239 AromaticContact CD2-CD2 3.61Å; F228-F239 HydrophobicContact CD2-CD2 3.61Å; F228-F239 HydrophobicContact CD2-CE1 4.3Å; F228-F239 AromaticContact CD2-CE2 3.76Å; F228-F239 HydrophobicContact CD2-CE2 3.76Å; F228-F239 AromaticContact CD2-CG 3.84Å; F228-F239 HydrophobicContact CD2-CG 3.84Å; F228-F239 HydrophobicContact CD2-CZ 4.1Å; F228-F239 HydrophobicContact CE1-CB 3.63Å; F228-F239 HydrophobicContact CE1-CD1 4.25Å; F228-F239 AromaticContact CE1-CG 3.89Å; F228-F239 HydrophobicContact CE1-CG 3.89Å; F228-F239 HydrophobicContact CE2-CB 4.2Å; F228-F239 AromaticContact CE2-CD2 3.76Å; F228-F239 HydrophobicContact CE2-CD2 3.76Å; F228-F239 HydrophobicContact CE2-CE2 4.32Å; F228-F239 AromaticContact CE2-CG 3.99Å; F228-F239 HydrophobicContact CE2-CG 3.99Å; F228-F239 HydrophobicContact CG-CB 4.39Å; F228-F239 AromaticContact CG-CD1 3.64Å; F228-F239 HydrophobicContact CG-CD1 3.64Å; F228-F239 AromaticContact CG-CD2 3.95Å; F228-F239 HydrophobicContact CG-CD2 3.95Å; F228-F239 AromaticContact CG-CE1 3.78Å; F228-F239 HydrophobicContact CG-CE1 3.78Å; F228-F239 HydrophobicContact CG-CE2 4.09Å; F228-F239 AromaticContact CG-CG 3.73Å; F228-F239 HydrophobicContact CG-CG 3.73Å; F228-F239 AromaticContact CG-CZ 4Å; F228-F239 HydrophobicContact CG-CZ 4Å; F228-F239 HydrophobicContact CZ-CB 3.76Å; F228-F239 HydrophobicContact CZ-CD2 4.22Å; F228-F239 HydrophobicContact CZ-CG 4.01Å; D235-F239 WeakPolarHBondContact O-CB 3.36Å; D235-F239 PolarHBondContact O-N 3.32Å; I236-F239 WeakPolarHBondContact O-CB 3.41Å; I236-F239 PolarHBondContact O-N 2.99Å; F239-A241 PolarHBondContact O-N 3.44Å; F239-S242 WeakPolarHBondContact O-CB 3.46Å; F239-S242 PolarHBondContact O-N 2.9Å; F239-S242 VanDerWaalsContact O-N 3.17Å; F239-S242 PolarHBondContact O-OG 3.38Å; F239-F243 AromaticContact CD1-CE2 3.98Å; F239-F243 HydrophobicContact CD1-CE2 3.98Å; F239-F243 HydrophobicContact CD2-CE2 4.19Å; F239-F243 AromaticContact CE1-CE2 3.52Å; F239-F243 HydrophobicContact CE1-CE2 3.52Å; F239-F243 AromaticContact CE1-CZ 3.86Å; F239-F243 HydrophobicContact CE1-CZ 3.86Å; F239-F243 AromaticContact CE2-CE2 3.75Å; F239-F243 HydrophobicContact CE2-CE2 3.75Å; F239-F243 HydrophobicContact CE2-CZ 4.13Å; F239-F243 HydrophobicContact CG-CE2 4.3Å; F239-F243 AromaticContact CZ-CE2 3.4Å; F239-F243 HydrophobicContact CZ-CE2 3.4Å; F239-F243 VanDerWaalsContact CZ-CE2 3.4Å; F239-F243 AromaticContact CZ-CZ 3.51Å; F239-F243 HydrophobicContact CZ-CZ 3.51Å; F239-F243 VanDerWaalsContact O-CD2 3.26Å; F239-F243 WeakPolarHBondContact O-CD2 3.29Å
240I98Very high96.7Very high0 Ų059.7 Ų59.70%033%0.325CS..Hα-helixtrans-60.3-44.7176.3-68.3169.1000110.8L206 L212 F222 I236 A237 S242 F243 R252 V254L206-I240 HydrophobicContact CD1-CG2 4.27Å; L212-I240 HydrophobicContact CD2-CD1 4.32Å; L212-I240 HydrophobicContact CD2-CG2 3.45Å; L212-I240 VanDerWaalsContact CD2-CG2 3.45Å; F222-I240 HydrophobicContact CD1-CD1 3.9Å; F222-I240 HydrophobicContact CD1-CG1 3.74Å; F222-I240 HydrophobicContact CE1-CD1 4.22Å; F222-I240 HydrophobicContact CE1-CG1 3.58Å; F222-I240 HydrophobicContact CG-CD1 4.44Å; F222-I240 HydrophobicContact CZ-CG1 4.37Å; I236-I240 HydrophobicContact CG2-CD1 3.86Å; I236-I240 HydrophobicContact CG2-CG1 4.36Å; I236-I240 VanDerWaalsContact O-CG1 3.29Å; I236-I240 WeakPolarHBondContact O-CG1 3.23Å; I236-I240 PolarHBondContact O-N 3.46Å; A237-I240 PolarHBondContact O-N 2.76Å; I240-S242 PolarHBondContact O-N 3.13Å; I240-F243 PolarHBondContact O-N 2.65Å; I240-R252 PolarHBondContact O-NH1 3.48Å; I240-V254 HydrophobicContact CB-CG1 4.34Å; I240-V254 HydrophobicContact CB-CG2 4.07Å; I240-V254 HydrophobicContact CD1-CG1 4.45Å; I240-V254 HydrophobicContact CG2-CG1 4.12Å; I240-V254 HydrophobicContact CG2-CG2 3.58Å
241A97.6Very high96.6Very high23 Ų2359.4 Ų59.419%0.1933%0.326CS..Hα-helixtrans-61.7-31.417900000112A237 E238 F239 F243 R252 V254 V266A237-A241 WeakPolarHBondContact O-CB 3.16Å; A237-A241 PolarHBondContact O-N 3.36Å; E238-A241 PolarHBondContact O-N 3.38Å; F239-A241 PolarHBondContact O-N 3.44Å; A241-F243 VanDerWaalsContact C-N 3.33Å; A241-F243 PolarHBondContact O-N 3.11Å; A241-R252 PolarHBondContact O-NH1 2.91Å; A241-V254 HydrophobicContact CB-CG2 3.88Å; A241-V266 HydrophobicContact CB-CB 4.22Å; A241-V266 HydrophobicContact CB-CG1 3.52Å
242S96.1Very high96.8Very high87 Ų8751 Ų5161%0.60829%0.287SS*.Hα-helixtrans-73.2-15.6-178.881.80000115.3E238 F239 I240E238-S242 WeakPolarHBondContact O-CB 3.49Å; E238-S242 PolarHBondContact O-N 3.3Å; F239-S242 WeakPolarHBondContact O-CB 3.46Å; F239-S242 PolarHBondContact O-N 2.9Å; F239-S242 VanDerWaalsContact O-N 3.17Å; F239-S242 PolarHBondContact O-OG 3.38Å; I240-S242 PolarHBondContact O-N 3.13Å
243F96Very high96.8Very high45 Ų4549.4 Ų49.420%0.19728%0.275CS..SBendtrans-60.1140.6-178.6-85.5-107.2000111.4L206 F222 M226 F239 I240 A241 R252L206-F243 HydrophobicContact CD2-CB 3.64Å; L206-F243 HydrophobicContact CD2-CD1 3.54Å; L206-F243 HydrophobicContact CD2-CD2 3.7Å; L206-F243 HydrophobicContact CD2-CE1 4.02Å; L206-F243 HydrophobicContact CD2-CE2 4.17Å; L206-F243 HydrophobicContact CD2-CG 3.35Å; L206-F243 HydrophobicContact CD2-CZ 4.31Å; L206-F243 HydrophobicContact CG-CB 4.06Å; L206-F243 HydrophobicContact CG-CG 4.29Å; F222-F243 HydrophobicContact CE1-CE2 4.24Å; F222-F243 HydrophobicContact CE1-CZ 4.41Å; F222-F243 HydrophobicContact CZ-CE2 4.45Å; F222-F243 HydrophobicContact CZ-CZ 4.39Å; M226-F243 HydrophobicContact CE-CZ 4.46Å; M226-F243 HydrophobicContact CG-CZ 4.26Å; M226-F243 HydrophobicContact SD-CE1 4.43Å; M226-F243 HydrophobicContact SD-CZ 4.13Å; F239-F243 AromaticContact CD1-CE2 3.98Å; F239-F243 HydrophobicContact CD1-CE2 3.98Å; F239-F243 HydrophobicContact CD2-CE2 4.19Å; F239-F243 AromaticContact CE1-CE2 3.52Å; F239-F243 HydrophobicContact CE1-CE2 3.52Å; F239-F243 AromaticContact CE1-CZ 3.86Å; F239-F243 HydrophobicContact CE1-CZ 3.86Å; F239-F243 AromaticContact CE2-CE2 3.75Å; F239-F243 HydrophobicContact CE2-CE2 3.75Å; F239-F243 HydrophobicContact CE2-CZ 4.13Å; F239-F243 HydrophobicContact CG-CE2 4.3Å; F239-F243 AromaticContact CZ-CE2 3.4Å; F239-F243 HydrophobicContact CZ-CE2 3.4Å; F239-F243 VanDerWaalsContact CZ-CE2 3.4Å; F239-F243 AromaticContact CZ-CZ 3.51Å; F239-F243 HydrophobicContact CZ-CZ 3.51Å; F239-F243 VanDerWaalsContact O-CD2 3.26Å; F239-F243 WeakPolarHBondContact O-CD2 3.29Å; I240-F243 PolarHBondContact O-N 2.65Å; A241-F243 VanDerWaalsContact C-N 3.33Å; A241-F243 PolarHBondContact O-N 3.11Å; F243-R252 PolarHBondContact O-NH1 3.28Å; F243-R252 PolarHBondContact O-NH2 2.86Å
244P95.7Very high96.9Very high103 Ų10348.4 Ų48.467%0.66927%0.269SS*.  trans-53144.9178.3-25.833.9000112.6P207 R252P207-P244 WeakPolarHBondContact CA-O 3.37Å; P244-R252 PolarHBondContact O-NH2 2.89Å
245K96.7Very high96.9Very high46 Ų4646.9 Ų46.920%0.226%0.26CS..  trans-114.2148.3174.8-67.5-172.480-164.40111.6P207 V209 D210 R250 G251 R252P207-K245 CarbonylContact O-C 3.56Å; P207-K245 VanDerWaalsContact O-CA 3.31Å; P207-K245 WeakPolarHBondContact O-CA 3.47Å; V209-K245 WeakPolarHBondContact O-CE 3.15Å; D210-K245 IonicContact OD1-NZ 2.75Å; D210-K245 PolarHBondContact OD1-NZ 2.91Å; K245-R250 PolarHBondContact NZ-O 3.15Å; K245-G251 PolarHBondContact NZ-O 3.31Å; K245-R252 HydrophobicContact CD-CB 3.98Å
246K97.9Very high96.9Very high143 Ų14344.8 Ų44.862%0.62225%0.248SC*.SBendtrans-81.4-46170.1-74.8-73.9-176.1176.70111.3P207 F208 S248P207-K246 HydrophobicContact CB-CG 3.8Å; P207-K246 PolarHBondContact O-N 2.76Å; F208-K246 HydrophobicContact CD1-CB 4.23Å; F208-K246 HydrophobicContact CD1-CG 4.42Å; F208-K246 HydrophobicContact CE1-CB 4.17Å; F208-K246 HydrophobicContact CE1-CG 4.04Å; F208-K246 HydrophobicContact CZ-CG 4.17Å; K246-S248 PolarHBondContact O-N 2.99Å
247N95.7Very high96.9Very high7 Ų746 Ų464%0.03726%0.256CS..  trans-82.6105.2169.8-170.5-9000109.4N183 N249 R250N183-N247 PolarHBondContact OD1-ND2 3.27Å; N183-N247 PolarHBondContact OD1-OD1 3.34Å; N247-N249 VanDerWaalsContact OD1-CB 3.32Å; N247-N249 WeakPolarHBondContact OD1-CB 3.41Å; N247-N249 PolarHBondContact OD1-N 3.24Å; N247-N249 PolarHBondContact OD1-ND2 2.76Å; N247-R250 PolarHBondContact ND2-NH1 2.87Å
248S92.7Very high96.8Very high107 Ų10747.4 Ų47.475%0.74826%0.263SS*.THydrogen-bonded Turntrans-87.4-1.7179.4540000113.9K246 R250K246-S248 PolarHBondContact O-N 2.99Å; S248-R250 PolarHBondContact O-N 2.77Å
249N95.3Very high96.5Very high115 Ų11546 Ų4662%0.61527%0.274SS*.THydrogen-bonded Turntrans-75.4-8.4-178.7-63.8-36.9000113.5N183 N247N183-N249 WeakPolarHBondContact OD1-CB 3.12Å; N183-N249 PolarHBondContact OD1-ND2 3.15Å; N247-N249 VanDerWaalsContact OD1-CB 3.32Å; N247-N249 WeakPolarHBondContact OD1-CB 3.41Å; N247-N249 PolarHBondContact OD1-N 3.24Å; N247-N249 PolarHBondContact OD1-ND2 2.76Å
250R93.7Very high96.2Very high74 Ų7447.4 Ų47.428%0.27929%0.293SS..SBendtrans-153.4154176.666.9-172.373.5108.9-1.8112N183 K184 D210 K245 N247 S248N183-R250 PolarHBondContact O-NH2 3.5Å; N183-R250 PolarHBondContact OD1-NH2 2.88Å; N183-R250 VanDerWaalsContact OD1-NH2 3.15Å; K184-R250 VanDerWaalsContact C-NH1 3.29Å; K184-R250 PolarHBondContact O-NH1 3.33Å; D210-R250 WeakPolarHBondContact OD1-CD 3.36Å; D210-R250 WeakPolarHBondContact OD1-CG 3.34Å; D210-R250 IonicContact OD1-NH1 4Å; D210-R250 IonicContact OD2-NH1 2.75Å; D210-R250 PolarHBondContact OD2-NH1 3.19Å; K245-R250 PolarHBondContact NZ-O 3.15Å; N247-R250 PolarHBondContact ND2-NH1 2.87Å; S248-R250 PolarHBondContact O-N 2.77Å
251G94.9Very high96.1Very high28 Ų2852.1 Ų52.129%0.28932%0.318SS..PPolyproline II helixtrans-66.5171.5172.400000113.3K245K245-G251 PolarHBondContact NZ-O 3.31Å
252R97.7Very high96.1Very high7 Ų753.2 Ų53.23%0.02632%0.324CS..PPolyproline II helixtrans-92127.5165-176178.5-60.4107.72.4107.7L206 V209 D210 I240 A241 F243 P244 K245 V254L206-R252 PolarHBondContact O-NH2 3.43Å; V209-R252 PolarHBondContact O-NE 3.11Å; D210-R252 CarbonylContact O-C 3.51Å; D210-R252 WeakPolarHBondContact O-CA 3.47Å; I240-R252 PolarHBondContact O-NH1 3.48Å; A241-R252 PolarHBondContact O-NH1 2.91Å; F243-R252 PolarHBondContact O-NH1 3.28Å; F243-R252 PolarHBondContact O-NH2 2.86Å; P244-R252 PolarHBondContact O-NH2 2.89Å; K245-R252 HydrophobicContact CD-CB 3.98Å; R252-V254 HydrophobicContact CG-CG2 4.08Å
253T98.6Very high96.2Very high12 Ų1249.1 Ų49.17%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-93.3129.6167.3-62.90000108.7D210 V211 L212 I255 V265 V266 S267 L308D210-T253 PolarHBondContact O-N 3.42Å; V211-T253 CarbonylContact C-O 3.57Å; V211-T253 VanDerWaalsContact CA-O 3.29Å; V211-T253 WeakPolarHBondContact CA-O 3.29Å; V211-T253 HydrophobicContact CG1-CG2 4.33Å; L212-T253 PolarHBondContact N-O 3.29Å; T253-I255 HydrophobicContact CG2-CD1 4.09Å; T253-I255 HydrophobicContact CG2-CG1 3.93Å; T253-V265 HydrophobicContact CG2-CG1 4.37Å; T253-V266 CarbonylContact C-O 3.6Å; T253-V266 VanDerWaalsContact CA-O 3.25Å; T253-V266 WeakPolarHBondContact CA-O 3.22Å; T253-S267 PolarHBondContact OG1-OG 3.33Å; T253-L308 HydrophobicContact CG2-CD1 4.4Å; T253-L308 HydrophobicContact CG2-CD2 4.44Å
254V98.8Very high96.4Very high0 Ų047.1 Ų47.10%029%0.286CS..EExtended strand (participates in β ladder)trans-118.3127.2176.3-1750000108.1L212 A237 I240 A241 R252 I256 V265 V266L212-V254 WeakPolarHBondContact O-CA 3.34Å; A237-V254 HydrophobicContact CB-CG1 4.11Å; I240-V254 HydrophobicContact CB-CG1 4.34Å; I240-V254 HydrophobicContact CB-CG2 4.07Å; I240-V254 HydrophobicContact CD1-CG1 4.45Å; I240-V254 HydrophobicContact CG2-CG1 4.12Å; I240-V254 HydrophobicContact CG2-CG2 3.58Å; A241-V254 HydrophobicContact CB-CG2 3.88Å; R252-V254 HydrophobicContact CG-CG2 4.08Å; V254-I256 HydrophobicContact CG1-CD1 3.81Å; V254-I256 HydrophobicContact CG1-CG1 4.08Å; V254-V265 WeakPolarHBondContact O-CA 3.38Å; V254-V266 HydrophobicContact CB-CB 4.48Å; V254-V266 PolarHBondContact N-O 3.3Å; V254-V266 PolarHBondContact O-N 2.99Å
255I98.9Very high96.5Very high0 Ų042.2 Ų42.20%026%0.255CS..EExtended strand (participates in β ladder)trans-125.5110.7-176.3-60.8169.9000107.8V211 L212 F213 G214 T253 I263 I264 V265 F294 F298 L308 L312V211-I255 HydrophobicContact CG1-CD1 3.99Å; L212-I255 PolarHBondContact O-N 2.88Å; F213-I255 WeakPolarHBondContact CA-O 3.49Å; F213-I255 HydrophobicContact CD1-CB 4Å; F213-I255 HydrophobicContact CD1-CD1 4.14Å; F213-I255 HydrophobicContact CD1-CG2 4.25Å; F213-I255 HydrophobicContact CE1-CB 4.38Å; F213-I255 HydrophobicContact CE1-CD1 3.63Å; F213-I255 HydrophobicContact CZ-CD1 4.38Å; G214-I255 PolarHBondContact N-O 2.66Å; G214-I255 VanDerWaalsContact N-O 3.07Å; T253-I255 HydrophobicContact CG2-CD1 4.09Å; T253-I255 HydrophobicContact CG2-CG1 3.93Å; I255-I263 HydrophobicContact CG2-CG2 3.58Å; I255-I264 WeakPolarHBondContact CA-O 3.48Å; I255-V265 HydrophobicContact CG1-CG1 4.21Å; I255-V265 HydrophobicContact CG1-CG2 4.4Å; I255-V265 HydrophobicContact CG2-CG2 4.47Å; I255-F294 HydrophobicContact CG2-CE1 3.87Å; I255-F294 HydrophobicContact CG2-CZ 3.92Å; I255-F298 HydrophobicContact CD1-CD2 3.99Å; I255-F298 HydrophobicContact CD1-CE1 4.32Å; I255-F298 HydrophobicContact CD1-CE2 3.3Å; I255-F298 HydrophobicContact CD1-CZ 3.5Å; I255-L308 HydrophobicContact CD1-CD1 4.45Å; I255-L312 HydrophobicContact CD1-CD2 4.21Å; I255-L312 HydrophobicContact CG1-CD2 4.48Å; I255-L312 HydrophobicContact CG2-CD2 3.87Å
256I98.8Very high96.6Very high0 Ų040.3 Ų40.30%025%0.247CC..EExtended strand (participates in β ladder)trans-111.4113.4179.6-50.6-57.1000109.9G214 N215 A219 V233 A237 V254 I263 I264G214-I256 CarbonylContact O-C 3.5Å; G214-I256 VanDerWaalsContact O-CA 3.27Å; G214-I256 WeakPolarHBondContact O-CA 3.34Å; N215-I256 VanDerWaalsContact C-CG2 3.48Å; A219-I256 HydrophobicContact CB-CD1 4.03Å; A219-I256 HydrophobicContact CB-CG1 4.39Å; A219-I256 HydrophobicContact CB-CG2 4.13Å; V233-I256 HydrophobicContact CG1-CB 4.01Å; V233-I256 HydrophobicContact CG1-CG1 4.4Å; V233-I256 HydrophobicContact CG1-CG2 3.56Å; A237-I256 HydrophobicContact CB-CG1 4.13Å; V254-I256 HydrophobicContact CG1-CD1 3.81Å; V254-I256 HydrophobicContact CG1-CG1 4.08Å; I256-I263 WeakPolarHBondContact O-CA 3.49Å; I256-I263 WeakPolarHBondContact O-CG2 3.16Å; I256-I264 HydrophobicContact CB-CB 4.35Å; I256-I264 PolarHBondContact N-O 2.98Å; I256-I264 PolarHBondContact O-N 2.81Å
257T98.1Very high96.6Very high31 Ų3134.4 Ų34.419%0.1922%0.224CC..EExtended strand (participates in β ladder)trans-82.5146.7175.157.50000111G214 N215 E216 I263 F294G214-T257 PolarHBondContact O-N 2.93Å; G214-T257 PolarHBondContact O-OG1 3.11Å; N215-T257 WeakPolarHBondContact CA-O 3.18Å; E216-T257 PolarHBondContact N-O 3.28Å; T257-I263 HydrophobicContact CG2-CG1 4.39Å; T257-I263 HydrophobicContact CG2-CG2 4.43Å; T257-F294 HydrophobicContact CG2-CD1 3.81Å; T257-F294 HydrophobicContact CG2-CD2 4.31Å; T257-F294 HydrophobicContact CG2-CE1 3.75Å; T257-F294 HydrophobicContact CG2-CE2 4.29Å; T257-F294 HydrophobicContact CG2-CG 4.09Å; T257-F294 HydrophobicContact CG2-CZ 4.01Å
258Q96.2Very high96.3Very high29 Ų2939.7 Ų39.714%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-133.147-173.8-62.6-172.9112.600111.7E216 A260 D261 P262E216-Q258 HydrophobicContact CB-CG 4.33Å; E216-Q258 WeakPolarHBondContact OE2-CA 3.35Å; E216-Q258 WeakPolarHBondContact OE2-CB 3.43Å; E216-Q258 WeakPolarHBondContact OE2-CG 3.32Å; Q258-A260 PolarHBondContact O-N 3.43Å; Q258-D261 HydrophobicContact CB-CB 3.75Å; Q258-D261 WeakPolarHBondContact O-CB 3.36Å; Q258-D261 PolarHBondContact O-N 3.17Å; Q258-P262 PolarHBondContact NE2-O 2.98Å
259G91.1Very high96Very high67 Ų6738.2 Ų38.269%0.69125%0.254SS*.THydrogen-bonded Turntrans57.9-112.7-173.500000112
260A91.6Very high96Very high71 Ų7139.4 Ų39.459%0.58726%0.255SS*.THydrogen-bonded Turntrans-88-11177.700000113.8Q258Q258-A260 PolarHBondContact O-N 3.43Å
261D96.2Very high96.2Very high99 Ų9938.2 Ų38.253%0.52926%0.257SS..EExtended strand (participates in β ladder)trans-77.9158.8177.7-70.9-30.4000111.3Q258 I263 V276Q258-D261 HydrophobicContact CB-CB 3.75Å; Q258-D261 WeakPolarHBondContact O-CB 3.36Å; Q258-D261 PolarHBondContact O-N 3.17Å; D261-I263 PolarHBondContact O-N 2.91Å; D261-V276 VanDerWaalsContact O-CG2 3.31Å; D261-V276 WeakPolarHBondContact O-CG2 3.41Å
262P97.8Very high96.4Very high46 Ų4640 Ų4030%0.29926%0.257SS..EExtended strand (participates in β ladder)trans-54.6139.2179.4-26.735.7000113Q258 I264 Q273 H274Q258-P262 PolarHBondContact NE2-O 2.98Å; P262-I264 PolarHBondContact O-N 2.79Å; P262-Q273 HydrophobicContact CB-CB 3.9Å; P262-H274 CarbonylContact C-O 3.58Å; P262-H274 VanDerWaalsContact CA-O 3.31Å; P262-H274 WeakPolarHBondContact CA-O 3.31Å
263I98.6Very high96.4Very high2 Ų245.2 Ų45.21%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-71.5127.4176.9-56.1166.6000108.4I255 I256 T257 D261 V265 Q273 H274 V276 F294 L312 V316I255-I263 HydrophobicContact CG2-CG2 3.58Å; I256-I263 WeakPolarHBondContact O-CA 3.49Å; I256-I263 WeakPolarHBondContact O-CG2 3.16Å; T257-I263 HydrophobicContact CG2-CG1 4.39Å; T257-I263 HydrophobicContact CG2-CG2 4.43Å; D261-I263 PolarHBondContact O-N 2.91Å; I263-V265 HydrophobicContact CG2-CG2 3.98Å; I263-Q273 CarbonylContact O-C 3.12Å; I263-Q273 VanDerWaalsContact O-CA 3.27Å; I263-Q273 WeakPolarHBondContact O-CA 3.36Å; I263-H274 HydrophobicContact CB-CB 4.33Å; I263-H274 PolarHBondContact N-O 3.25Å; I263-H274 PolarHBondContact O-N 3.29Å; I263-V276 HydrophobicContact CD1-CG2 4.08Å; I263-V276 HydrophobicContact CG1-CG2 3.72Å; I263-F294 HydrophobicContact CD1-CD2 4.35Å; I263-F294 HydrophobicContact CD1-CE2 3.39Å; I263-F294 HydrophobicContact CD1-CZ 3.78Å; I263-L312 HydrophobicContact CG2-CD2 4.25Å; I263-V316 HydrophobicContact CD1-CG2 3.62Å
264I98.7Very high96.3Very high3 Ų345.7 Ų45.72%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-82.8129.2173.6-53.2-53000109.1V233 V234 A237 I255 I256 P262 Q273V233-I264 HydrophobicContact CG1-CG1 4.09Å; V234-I264 HydrophobicContact CG2-CD1 3.95Å; V234-I264 HydrophobicContact CG2-CG1 4.3Å; V234-I264 HydrophobicContact CG2-CG2 3.88Å; A237-I264 HydrophobicContact CB-CG2 4.03Å; I255-I264 WeakPolarHBondContact CA-O 3.48Å; I256-I264 HydrophobicContact CB-CB 4.35Å; I256-I264 PolarHBondContact N-O 2.98Å; I256-I264 PolarHBondContact O-N 2.81Å; P262-I264 PolarHBondContact O-N 2.79Å; I264-Q273 HydrophobicContact CD1-CG 3.66Å
265V98.8Very high96.2Very high0 Ų050 Ų500%031%0.312CS..EExtended strand (participates in β ladder)trans-130.6122.5179.7-174.20000109.9T253 V254 I255 I263 C271 F272 L308 L312T253-V265 HydrophobicContact CG2-CG1 4.37Å; V254-V265 WeakPolarHBondContact O-CA 3.38Å; I255-V265 HydrophobicContact CG1-CG1 4.21Å; I255-V265 HydrophobicContact CG1-CG2 4.4Å; I255-V265 HydrophobicContact CG2-CG2 4.47Å; I263-V265 HydrophobicContact CG2-CG2 3.98Å; V265-C271 CarbonylContact O-C 3.55Å; V265-C271 WeakPolarHBondContact O-CA 3.21Å; V265-F272 HydrophobicContact CB-CD1 4.14Å; V265-F272 HydrophobicContact CB-CD2 4.44Å; V265-F272 HydrophobicContact CB-CE1 3.71Å; V265-F272 HydrophobicContact CB-CE2 4.02Å; V265-F272 HydrophobicContact CB-CG 4.49Å; V265-F272 HydrophobicContact CB-CZ 3.64Å; V265-F272 HydrophobicContact CG1-CD1 4.32Å; V265-F272 HydrophobicContact CG1-CE1 3.5Å; V265-F272 HydrophobicContact CG1-CE2 4.41Å; V265-F272 HydrophobicContact CG1-CZ 3.56Å; V265-F272 HydrophobicContact CG2-CE2 4.19Å; V265-F272 HydrophobicContact CG2-CZ 4.11Å; V265-F272 PolarHBondContact N-O 3.12Å; V265-F272 PolarHBondContact O-N 3.33Å; V265-L308 HydrophobicContact CG1-CD2 3.8Å; V265-L308 HydrophobicContact CG1-CG 4.49Å; V265-L312 HydrophobicContact CG2-CD1 3.75Å; V265-L312 HydrophobicContact CG2-CD2 3.91Å
266V98.6Very high96Very high6 Ų651.4 Ų51.44%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-112.1121.2169.9-179.40000108.1A237 E238 A241 T253 V254 H270 C271A237-V266 HydrophobicContact CB-CG2 3.63Å; E238-V266 HydrophobicContact CG-CG1 4.45Å; E238-V266 HydrophobicContact CG-CG2 3.88Å; A241-V266 HydrophobicContact CB-CB 4.22Å; A241-V266 HydrophobicContact CB-CG1 3.52Å; T253-V266 CarbonylContact C-O 3.6Å; T253-V266 VanDerWaalsContact CA-O 3.25Å; T253-V266 WeakPolarHBondContact CA-O 3.22Å; V254-V266 HydrophobicContact CB-CB 4.48Å; V254-V266 PolarHBondContact N-O 3.3Å; V254-V266 PolarHBondContact O-N 2.99Å; V266-H270 CarbonylContact C-O 3.59Å; V266-H270 WeakPolarHBondContact CA-O 3.27Å; V266-C271 HydrophobicContact CG2-CB 4.06Å
267S97.2Very high95.5Very high19 Ų1954.5 Ų54.513%0.13335%0.345CS..EExtended strand (participates in β ladder)trans-148.3134.8178.8-166.60000109.7T253 G269 H270T253-S267 PolarHBondContact OG1-OG 3.33Å; S267-G269 PolarHBondContact O-N 2.95Å; S267-G269 VanDerWaalsContact O-N 3.1Å; S267-H270 PolarHBondContact N-O 2.98Å; S267-H270 WeakPolarHBondContact O-CB 3.43Å; S267-H270 PolarHBondContact O-N 3.39Å
268D89.5Confident95Very high118 Ų11860.3 Ų60.363%0.63137%0.37SS*.THydrogen-bonded Turntrans48.939.2178.9-62.7-33.1000114.6H270D268-H270 PolarHBondContact O-CD2 3.05Å; D268-H270 PolarHBondContact O-N 3.39Å
269G87.5Confident94.5Very high76 Ų7660.3 Ų60.378%0.78437%0.371SS*.THydrogen-bonded Turntrans76.64.618000000114.7S267S267-G269 PolarHBondContact O-N 2.95Å; S267-G269 VanDerWaalsContact O-N 3.1Å
270H95.5Very high94.3Very high140 Ų14060.8 Ų60.865%0.64836%0.362SS*.EExtended strand (participates in β ladder)trans-107.6131.6175.2-62.5-66.9000110.6V266 S267 D268V266-H270 CarbonylContact C-O 3.59Å; V266-H270 WeakPolarHBondContact CA-O 3.27Å; S267-H270 PolarHBondContact N-O 2.98Å; S267-H270 WeakPolarHBondContact O-CB 3.43Å; S267-H270 PolarHBondContact O-N 3.39Å; D268-H270 PolarHBondContact O-CD2 3.05Å; D268-H270 PolarHBondContact O-N 3.39Å
271C97.7Very high94.1Very high48 Ų4862.7 Ų62.732%0.32437%0.366SS..EExtended strand (participates in β ladder)trans-102.8131.9170-177.30000109.9V265 V266V265-C271 CarbonylContact O-C 3.55Å; V265-C271 WeakPolarHBondContact O-CA 3.21Å; V266-C271 HydrophobicContact CG2-CB 4.06Å
272F97.9Very high93.8Very high67 Ų6763.6 Ų63.629%0.29438%0.38SS..EExtended strand (participates in β ladder)trans-142.8167.1170.270.8-85000110.8V265 H274 L308 L312V265-F272 HydrophobicContact CB-CD1 4.14Å; V265-F272 HydrophobicContact CB-CD2 4.44Å; V265-F272 HydrophobicContact CB-CE1 3.71Å; V265-F272 HydrophobicContact CB-CE2 4.02Å; V265-F272 HydrophobicContact CB-CG 4.49Å; V265-F272 HydrophobicContact CB-CZ 3.64Å; V265-F272 HydrophobicContact CG1-CD1 4.32Å; V265-F272 HydrophobicContact CG1-CE1 3.5Å; V265-F272 HydrophobicContact CG1-CE2 4.41Å; V265-F272 HydrophobicContact CG1-CZ 3.56Å; V265-F272 HydrophobicContact CG2-CE2 4.19Å; V265-F272 HydrophobicContact CG2-CZ 4.11Å; V265-F272 PolarHBondContact N-O 3.12Å; V265-F272 PolarHBondContact O-N 3.33Å; F272-H274 HydrophobicContact CE2-CB 4.46Å; F272-L308 HydrophobicContact CE1-CD2 3.86Å; F272-L308 HydrophobicContact CZ-CD2 3.79Å; F272-L308 HydrophobicContact CZ-CG 4.15Å; F272-L312 HydrophobicContact CE2-CD1 3.82Å; F272-L312 HydrophobicContact CZ-CD1 3.9Å
273Q98.1Very high93.4Very high115 Ų11562.8 Ų62.854%0.53738%0.375SS..EExtended strand (participates in β ladder)trans-114.7136.7176.4-56.7-171.56.800110.2P262 I263 I264P262-Q273 HydrophobicContact CB-CB 3.9Å; I263-Q273 CarbonylContact O-C 3.12Å; I263-Q273 VanDerWaalsContact O-CA 3.27Å; I263-Q273 WeakPolarHBondContact O-CA 3.36Å; I264-Q273 HydrophobicContact CD1-CG 3.66Å
274H97.8Very high92.8Very high22 Ų2265.8 Ų65.810%0.10239%0.391CS..EExtended strand (participates in β ladder)trans-106.9123.8174.3-173.490.6000110.1P262 I263 F272 V309 L312P262-H274 CarbonylContact C-O 3.58Å; P262-H274 VanDerWaalsContact CA-O 3.31Å; P262-H274 WeakPolarHBondContact CA-O 3.31Å; I263-H274 HydrophobicContact CB-CB 4.33Å; I263-H274 PolarHBondContact N-O 3.25Å; I263-H274 PolarHBondContact O-N 3.29Å; F272-H274 HydrophobicContact CE2-CB 4.46Å; H274-V309 PolarHBondContact CE1-O 3.03Å; H274-L312 HydrophobicContact CB-CB 4.34Å; H274-L312 HydrophobicContact CB-CD1 3.78Å
275P96.4Very high92.2Very high92 Ų9268.9 Ų68.960%0.59741%0.41SS*.PPolyproline II helixtrans-66.5139.5-176.628.2-34.6000111.4
276V94.4Very high91.5Very high29 Ų2969.1 Ų69.118%0.17641%0.411CS..PPolyproline II helixtrans-97124.9168.2-179.30000107.6D261 I263 H278 V316D261-V276 VanDerWaalsContact O-CG2 3.31Å; D261-V276 WeakPolarHBondContact O-CG2 3.41Å; I263-V276 HydrophobicContact CD1-CG2 4.08Å; I263-V276 HydrophobicContact CG1-CG2 3.72Å; V276-H278 PolarHBondContact O-N 3.21Å; V276-V316 HydrophobicContact CG1-CG1 4.2Å; V276-V316 HydrophobicContact CG2-CG2 4.29Å
277A88Confident90.9Very high64 Ų6471.9 Ų71.953%0.52943%0.428SS..PPolyproline II helixtrans-70.2126.4179.700000110.1I279 H320A277-I279 PolarHBondContact O-N 2.98Å; A277-H320 PolarHBondContact O-CE1 3.41Å; A277-H320 PolarHBondContact O-NE2 3.5Å
278H87.2Confident90.3Very high153 Ų15371.8 Ų71.871%0.70843%0.426SS*.PPolyproline II helixtrans-65.2129.7178.7-177.6-79.5000111.1V276V276-H278 PolarHBondContact O-N 3.21Å
279I86.6Confident90.4Very high30 Ų3067 Ų6715%0.15441%0.405CS..  trans-109.9148.8168.366.5163.2000110.4A277 T281 I284 I323 Q324A277-I279 PolarHBondContact O-N 2.98Å; I279-T281 PolarHBondContact O-N 3.14Å; I279-I284 HydrophobicContact CD1-CG1 3.99Å; I279-I284 HydrophobicContact CG1-CG1 4.42Å; I279-I323 HydrophobicContact CD1-CD1 3.36Å; I279-I323 HydrophobicContact CD1-CG1 3.69Å; I279-I323 HydrophobicContact CG1-CD1 4.25Å; I279-Q324 HydrophobicContact CD1-CG 4.34Å
280P87Confident90.7Very high77 Ų7764.5 Ų64.550%0.538%0.377SS..  trans-57.8133.9177.5-23.133.8000111.7S282 S283P280-S282 PolarHBondContact O-N 2.83Å; P280-S282 VanDerWaalsContact O-N 3.08Å; P280-S283 PolarHBondContact O-N 2.97Å; P280-S283 PolarHBondContact O-OG 2.87Å
281T86.3Confident90.6Very high111 Ų11159.7 Ų59.768%0.68137%0.365SS*.G310 helixtrans-56.6-30.3175.1-43.80000111.8I279 S283 I284I279-T281 PolarHBondContact O-N 3.14Å; T281-S283 PolarHBondContact O-N 3.48Å; T281-I284 HydrophobicContact CG2-CD1 4.5Å; T281-I284 WeakPolarHBondContact O-CB 3.43Å; T281-I284 PolarHBondContact O-N 2.93Å; T281-I284 VanDerWaalsContact O-N 3.08Å
282S89.4Confident90.6Very high118 Ų11858.4 Ų58.483%0.82536%0.355SS*.G310 helixtrans-66.5-16.2176.360.60000114.8P280P280-S282 PolarHBondContact O-N 2.83Å; P280-S282 VanDerWaalsContact O-N 3.08Å
283S89.3Confident90.6Very high28 Ų2855.2 Ų55.220%0.19634%0.341CS..G310 helixtrans-90.6-14172.556.20000112.9P280 T281 V285 Q324P280-S283 PolarHBondContact O-N 2.97Å; P280-S283 PolarHBondContact O-OG 2.87Å; T281-S283 PolarHBondContact O-N 3.48Å; S283-V285 PolarHBondContact O-N 2.92Å; S283-Q324 WeakPolarHBondContact O-CA 3.46Å; S283-Q324 WeakPolarHBondContact O-CG 3.49Å
284I87.5Confident90.6Very high66 Ų6650.2 Ų50.234%0.33832%0.317SS..  trans-72118.7177.3-58.3176.5000108I279 T281 T287 I323I279-I284 HydrophobicContact CD1-CG1 3.99Å; I279-I284 HydrophobicContact CG1-CG1 4.42Å; T281-I284 HydrophobicContact CG2-CD1 4.5Å; T281-I284 WeakPolarHBondContact O-CB 3.43Å; T281-I284 PolarHBondContact O-N 2.93Å; T281-I284 VanDerWaalsContact O-N 3.08Å; I284-T287 HydrophobicContact CG2-CG2 4.12Å; I284-I323 CarbonylContact C-O 3.59Å; I284-I323 WeakPolarHBondContact CA-O 3.38Å; I284-I323 HydrophobicContact CG1-CD1 4.47Å
285V85.7Confident90.6Very high67 Ų6749.2 Ų49.241%0.40631%0.313SS..  trans-97.9-49.4176.91750000109.6F124 S283 I323 Q324F124-V285 WeakPolarHBondContact CE2-O 3.26Å; S283-V285 PolarHBondContact O-N 2.92Å; V285-I323 PolarHBondContact N-O 2.85Å; V285-Q324 WeakPolarHBondContact CG2-O 3.44Å
286D83.6Confident90.7Very high5 Ų544.9 Ų44.93%0.02728%0.284CS..  trans-155.8134.4-17717416.9000109.2N288 I323 R325 G327D286-N288 WeakPolarHBondContact OD1-CB 3.45Å; D286-N288 VanDerWaalsContact OD1-CG 3.22Å; D286-N288 PolarHBondContact OD1-N 3.28Å; D286-N288 PolarHBondContact OD1-ND2 2.83Å; D286-N288 WeakPolarHBondContact OD2-CB 3.38Å; D286-N288 PolarHBondContact OD2-ND2 3.2Å; D286-I323 PolarHBondContact N-O 3.25Å; D286-I323 CarbonylContact O-C 3.58Å; D286-I323 WeakPolarHBondContact O-CA 3.3Å; D286-R325 WeakPolarHBondContact CB-O 3.37Å; D286-G327 WeakPolarHBondContact OD2-CA 3.48Å; D286-G327 PolarHBondContact OD2-N 3.06Å
287T86Confident90.9Very high64 Ų6443.5 Ų43.539%0.39328%0.276SS..  trans-87.1-9.9179.151.60000113I284 G289 A290I284-T287 HydrophobicContact CG2-CG2 4.12Å; T287-G289 PolarHBondContact O-N 2.81Å; T287-A290 WeakPolarHBondContact O-CB 3.3Å; T287-A290 PolarHBondContact O-N 2.79Å; T287-A290 VanDerWaalsContact O-N 3.1Å
288N85.4Confident91.4Very high17 Ų1740.4 Ų40.49%0.09125%0.251CS..THydrogen-bonded Turntrans-61.6129.1-177.2-67.7-53.5000111.9V122 T123 D286 A290V122-N288 HydrophobicContact CG1-CB 4.15Å; V122-N288 VanDerWaalsContact CG1-CG 3.4Å; V122-N288 WeakPolarHBondContact CG1-ND2 3.48Å; T123-N288 PolarHBondContact O-ND2 3.26Å; D286-N288 WeakPolarHBondContact OD1-CB 3.45Å; D286-N288 VanDerWaalsContact OD1-CG 3.22Å; D286-N288 PolarHBondContact OD1-N 3.28Å; D286-N288 PolarHBondContact OD1-ND2 2.83Å; D286-N288 WeakPolarHBondContact OD2-CB 3.38Å; D286-N288 PolarHBondContact OD2-ND2 3.2Å; N288-A290 VanDerWaalsContact C-N 3.29Å; N288-A290 PolarHBondContact O-N 3.15Å
289G91Very high92Very high19 Ų1933.1 Ų33.120%0.19622%0.217CC..THydrogen-bonded Turntrans78.64.8-178.700000114.8T287 G291 D292 A293T287-G289 PolarHBondContact O-N 2.81Å; G289-G291 VanDerWaalsContact C-N 3.32Å; G289-G291 PolarHBondContact O-N 2.99Å; G289-D292 PolarHBondContact O-N 3.39Å; G289-A293 WeakPolarHBondContact O-CB 3.46Å; G289-A293 PolarHBondContact O-N 3.28Å
290A93Very high92.5Very high23 Ų2331.8 Ų31.819%0.1921%0.21CC..Hα-helixtrans-57.3-44.3174.900000112.4T287 N288 A293 F294 I323T287-A290 WeakPolarHBondContact O-CB 3.3Å; T287-A290 PolarHBondContact O-N 2.79Å; T287-A290 VanDerWaalsContact O-N 3.1Å; N288-A290 VanDerWaalsContact C-N 3.29Å; N288-A290 PolarHBondContact O-N 3.15Å; A290-A293 PolarHBondContact O-N 3.49Å; A290-F294 PolarHBondContact O-N 3.39Å; A290-I323 HydrophobicContact CB-CG2 3.44Å; A290-I323 VanDerWaalsContact CB-CG2 3.44Å
291G94.8Very high93Very high39 Ų3928.2 Ų28.240%0.40219%0.187SC..Hα-helixtrans-65.1-41.2176.500000112.8G289 A293 F294 V295G289-G291 VanDerWaalsContact C-N 3.32Å; G289-G291 PolarHBondContact O-N 2.99Å; G291-A293 VanDerWaalsContact C-N 3.31Å; G291-A293 PolarHBondContact O-N 3.47Å; G291-F294 WeakPolarHBondContact O-CB 3.07Å; G291-F294 PolarHBondContact O-N 3.47Å; G291-V295 WeakPolarHBondContact O-CG2 3.25Å; G291-V295 PolarHBondContact O-N 3.13Å
292D97.4Very high93.5Very high21 Ų2125.3 Ų25.311%0.11216%0.164CC..Hα-helixtrans-63.8-39.7174.9-61.8-28.9000111.3S63 N66 S67 G289 V295 G296S63-D292 VanDerWaalsContact CA-OD1 3.28Å; S63-D292 WeakPolarHBondContact CA-OD1 3.27Å; S63-D292 WeakPolarHBondContact CA-OD2 3.38Å; S63-D292 VanDerWaalsContact CB-OD1 3.25Å; S63-D292 WeakPolarHBondContact CB-OD1 3.47Å; S63-D292 PolarHBondContact OG-OD1 3.3Å; N66-D292 HydrophobicContact CB-CB 3.54Å; N66-D292 WeakPolarHBondContact CB-OD2 3.42Å; N66-D292 PolarHBondContact ND2-OD2 2.9Å; S67-D292 WeakPolarHBondContact CA-O 3.14Å; S67-D292 PolarHBondContact OG-O 2.9Å; G289-D292 PolarHBondContact O-N 3.39Å; D292-V295 PolarHBondContact O-N 3.25Å; D292-G296 PolarHBondContact O-N 3.04Å
293A97.7Very high93.9Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-66.2-43.217700000111.5V70 G289 A290 G291 V295 G296 G297 A318 I322V70-A293 HydrophobicContact CG2-CB 4.32Å; G289-A293 WeakPolarHBondContact O-CB 3.46Å; G289-A293 PolarHBondContact O-N 3.28Å; A290-A293 PolarHBondContact O-N 3.49Å; G291-A293 VanDerWaalsContact C-N 3.31Å; G291-A293 PolarHBondContact O-N 3.47Å; A293-V295 VanDerWaalsContact C-N 3.35Å; A293-V295 PolarHBondContact O-N 3.35Å; A293-G296 PolarHBondContact O-N 3.31Å; A293-G297 PolarHBondContact O-N 3.41Å; A293-A318 HydrophobicContact CB-CB 4.41Å; A293-A318 VanDerWaalsContact O-CB 3.23Å; A293-A318 WeakPolarHBondContact O-CB 3.31Å; A293-I322 HydrophobicContact CB-CB 3.82Å; A293-I322 HydrophobicContact CB-CG1 3.51Å; A293-I322 HydrophobicContact CB-CG2 4.25Å
294F97.9Very high94.2Very high10 Ų1020.8 Ų20.84%0.04413%0.13CC..Hα-helixtrans-54.8-51.7172.3175-93.9000111.3F213 I255 T257 I263 A290 G291 G296 G297 F298 L312 G315 V316 A319F213-F294 HydrophobicContact CD1-CE1 4.16Å; F213-F294 HydrophobicContact CE1-CE1 4.37Å; I255-F294 HydrophobicContact CG2-CE1 3.87Å; I255-F294 HydrophobicContact CG2-CZ 3.92Å; T257-F294 HydrophobicContact CG2-CD1 3.81Å; T257-F294 HydrophobicContact CG2-CD2 4.31Å; T257-F294 HydrophobicContact CG2-CE1 3.75Å; T257-F294 HydrophobicContact CG2-CE2 4.29Å; T257-F294 HydrophobicContact CG2-CG 4.09Å; T257-F294 HydrophobicContact CG2-CZ 4.01Å; I263-F294 HydrophobicContact CD1-CD2 4.35Å; I263-F294 HydrophobicContact CD1-CE2 3.39Å; I263-F294 HydrophobicContact CD1-CZ 3.78Å; A290-F294 PolarHBondContact O-N 3.39Å; G291-F294 WeakPolarHBondContact O-CB 3.07Å; G291-F294 PolarHBondContact O-N 3.47Å; F294-G296 PolarHBondContact O-N 3.48Å; F294-G297 PolarHBondContact O-N 3Å; F294-F298 WeakPolarHBondContact O-CB 3.28Å; F294-F298 PolarHBondContact O-N 3.2Å; F294-L312 HydrophobicContact CZ-CD2 3.98Å; F294-G315 WeakPolarHBondContact CA-O 3.38Å; F294-G315 WeakPolarHBondContact O-CA 3.45Å; F294-V316 HydrophobicContact CE2-CG2 4.22Å; F294-A319 HydrophobicContact CB-CB 4.17Å
295V98.8Very high94.5Very high1 Ų120.5 Ų20.51%0.00614%0.143CC..Hα-helixtrans-62.6-46179.1174.40000110.9Y159 F213 G291 D292 A293 G297 F298 L299Y159-V295 HydrophobicContact CD2-CG1 4.16Å; Y159-V295 HydrophobicContact CE1-CG1 4.03Å; Y159-V295 HydrophobicContact CE2-CG1 3.63Å; F213-V295 HydrophobicContact CB-CG2 4.16Å; F213-V295 HydrophobicContact CD1-CG2 4.02Å; F213-V295 HydrophobicContact CD2-CG1 4.42Å; F213-V295 HydrophobicContact CD2-CG2 4.3Å; F213-V295 HydrophobicContact CE2-CG1 4.28Å; F213-V295 HydrophobicContact CG-CG2 3.91Å; F213-V295 HydrophobicContact CZ-CG1 4.49Å; G291-V295 WeakPolarHBondContact O-CG2 3.25Å; G291-V295 PolarHBondContact O-N 3.13Å; D292-V295 PolarHBondContact O-N 3.25Å; A293-V295 VanDerWaalsContact C-N 3.35Å; A293-V295 PolarHBondContact O-N 3.35Å; V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 2.9Å; V295-F298 WeakPolarHBondContact O-CB 3.05Å; V295-F298 PolarHBondContact O-N 2.98Å; V295-L299 HydrophobicContact CG1-CD1 3.71Å; V295-L299 HydrophobicContact CG1-CG 4Å; V295-L299 WeakPolarHBondContact O-CB 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.42Å; V295-L299 PolarHBondContact O-N 2.72Å
296G98.6Very high95Very high0 Ų020.1 Ų20.10%014%0.136CC..Hα-helixtrans-59.2-42.8177.800000113.1S67 A71 D292 A293 F294 L299 S300S67-G296 WeakPolarHBondContact O-CA 3.44Å; A71-G296 VanDerWaalsContact CA-O 3.27Å; A71-G296 WeakPolarHBondContact CA-O 3.08Å; A71-G296 VanDerWaalsContact CB-O 3.32Å; A71-G296 WeakPolarHBondContact CB-O 3.2Å; D292-G296 PolarHBondContact O-N 3.04Å; A293-G296 PolarHBondContact O-N 3.31Å; F294-G296 PolarHBondContact O-N 3.48Å; G296-L299 PolarHBondContact O-N 3.08Å; G296-S300 PolarHBondContact O-N 2.87Å
297G98.3Very high95.6Very high0 Ų026.6 Ų26.60%017%0.166CC..Hα-helixtrans-63.7-45.5175.600000112.3M74 A293 F294 V295 L299 S300 A314M74-G297 WeakPolarHBondContact SD-CA 3.23Å; A293-G297 PolarHBondContact O-N 3.41Å; F294-G297 PolarHBondContact O-N 3Å; V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 2.9Å; G297-L299 PolarHBondContact O-N 2.94Å; G297-S300 WeakPolarHBondContact O-CB 3.44Å; G297-S300 PolarHBondContact O-N 3.24Å; G297-S300 PolarHBondContact O-OG 2.9Å; G297-A314 VanDerWaalsContact O-CB 3.24Å; G297-A314 WeakPolarHBondContact O-CB 3.37Å
298F98.6Very high96.1Very high0 Ų025.2 Ų25.20%016%0.156CC..Hα-helixtrans-56-52.6173.3-179.1-80.8000111.8V211 F213 I255 F294 V295 S300 Q301 Y302 L308 C311 L312V211-F298 HydrophobicContact CG1-CE1 4.47Å; F213-F298 HydrophobicContact CE1-CB 4.4Å; F213-F298 AromaticContact CE1-CD1 3.76Å; F213-F298 HydrophobicContact CE1-CD1 3.76Å; F213-F298 HydrophobicContact CE1-CD2 4.25Å; F213-F298 HydrophobicContact CE1-CE1 4.07Å; F213-F298 AromaticContact CE1-CG 3.87Å; F213-F298 HydrophobicContact CE1-CG 3.87Å; F213-F298 HydrophobicContact CE1-CZ 4.44Å; F213-F298 AromaticContact CZ-CD1 3.49Å; F213-F298 HydrophobicContact CZ-CD1 3.49Å; F213-F298 VanDerWaalsContact CZ-CD1 3.49Å; F213-F298 AromaticContact CZ-CE1 3.69Å; F213-F298 HydrophobicContact CZ-CE1 3.69Å; F213-F298 HydrophobicContact CZ-CG 4.08Å; F213-F298 HydrophobicContact CZ-CZ 4.41Å; I255-F298 HydrophobicContact CD1-CD2 3.99Å; I255-F298 HydrophobicContact CD1-CE1 4.32Å; I255-F298 HydrophobicContact CD1-CE2 3.3Å; I255-F298 HydrophobicContact CD1-CZ 3.5Å; F294-F298 WeakPolarHBondContact O-CB 3.28Å; F294-F298 PolarHBondContact O-N 3.2Å; V295-F298 WeakPolarHBondContact O-CB 3.05Å; V295-F298 PolarHBondContact O-N 2.98Å; F298-S300 VanDerWaalsContact C-N 3.25Å; F298-S300 PolarHBondContact O-N 2.87Å; F298-Q301 PolarHBondContact O-N 3.08Å; F298-Q301 VanDerWaalsContact O-N 3.17Å; F298-Y302 HydrophobicContact CD1-CG 4.29Å; F298-Y302 AromaticContact CE1-CD1 3.98Å; F298-Y302 HydrophobicContact CE1-CD1 3.98Å; F298-Y302 AromaticContact CE1-CD2 3.74Å; F298-Y302 HydrophobicContact CE1-CD2 3.74Å; F298-Y302 HydrophobicContact CE1-CE2 4.39Å; F298-Y302 AromaticContact CE1-CG 3.5Å; F298-Y302 HydrophobicContact CE1-CG 3.5Å; F298-Y302 VanDerWaalsContact CE1-CG 3.5Å; F298-Y302 AromaticContact CZ-CD2 3.79Å; F298-Y302 HydrophobicContact CZ-CD2 3.79Å; F298-Y302 HydrophobicContact CZ-CE2 4.27Å; F298-Y302 HydrophobicContact CZ-CG 4.06Å; F298-Y302 WeakPolarHBondContact O-CB 3.31Å; F298-Y302 PolarHBondContact O-N 3.24Å; F298-L308 HydrophobicContact CE2-CD1 3.66Å; F298-L308 HydrophobicContact CZ-CD1 3.73Å; F298-C311 WeakPolarHBondContact CA-O 3.42Å; F298-C311 HydrophobicContact CD1-CB 4.45Å; F298-C311 HydrophobicContact CD2-CB 3.49Å; F298-C311 VanDerWaalsContact CD2-CB 3.49Å; F298-C311 HydrophobicContact CE1-CB 4.42Å; F298-C311 HydrophobicContact CE2-CB 3.44Å; F298-C311 VanDerWaalsContact CE2-CB 3.44Å; F298-C311 HydrophobicContact CG-CB 4.02Å; F298-C311 HydrophobicContact CZ-CB 3.93Å; F298-L312 HydrophobicContact CD2-CD2 4.22Å; F298-L312 HydrophobicContact CE2-CD2 4.16Å; F298-L312 HydrophobicContact CE2-CG 4.34Å
299L98.7Very high96.6Very high0 Ų028.1 Ų28.10%017%0.174CC..Hα-helixtrans-61-35.2-178.3-68.1178.3000111.9L7 M68 A71 Y159 M187 V295 G296 G297 Q301 Y302 I303L7-L299 HydrophobicContact CD2-CB 4.13Å; L7-L299 HydrophobicContact CD2-CD1 4.19Å; M68-L299 HydrophobicContact CE-CD1 3.4Å; M68-L299 VanDerWaalsContact CE-CD1 3.4Å; A71-L299 HydrophobicContact CB-CB 4.22Å; Y159-L299 HydrophobicContact CD1-CD1 4.16Å; Y159-L299 HydrophobicContact CD2-CD1 4.3Å; Y159-L299 HydrophobicContact CG-CD1 3.86Å; M187-L299 HydrophobicContact CE-CD2 3.53Å; M187-L299 HydrophobicContact SD-CD2 3.4Å; M187-L299 WeakPolarHBondContact SD-CD2 3.26Å; V295-L299 HydrophobicContact CG1-CD1 3.71Å; V295-L299 HydrophobicContact CG1-CG 4Å; V295-L299 WeakPolarHBondContact O-CB 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.42Å; V295-L299 PolarHBondContact O-N 2.72Å; G296-L299 PolarHBondContact O-N 3.08Å; G297-L299 PolarHBondContact O-N 2.94Å; L299-Q301 PolarHBondContact O-N 3.48Å; L299-Y302 PolarHBondContact O-N 3.14Å; L299-I303 WeakPolarHBondContact O-CG1 3.39Å; L299-I303 WeakPolarHBondContact O-CG2 3.3Å; L299-I303 PolarHBondContact O-N 2.91Å
300S97.5Very high96.9Very high1 Ų129.7 Ų29.71%0.00718%0.178CC..Hα-helixtrans-56.8-32.817980.40000113.4G296 G297 F298G296-S300 PolarHBondContact O-N 2.87Å; G297-S300 WeakPolarHBondContact O-CB 3.44Å; G297-S300 PolarHBondContact O-N 3.24Å; G297-S300 PolarHBondContact O-OG 2.9Å; F298-S300 VanDerWaalsContact C-N 3.25Å; F298-S300 PolarHBondContact O-N 2.87Å
301Q97.1Very high97.1Very high3 Ų328.6 Ų28.61%0.01417%0.169CC..Hα-helixtrans-97.6-37.7-179.7-59.6-46.4-63.200112F298 L299 I303 V304 G305 K306 C311 A314 Y336F298-Q301 PolarHBondContact O-N 3.08Å; F298-Q301 VanDerWaalsContact O-N 3.17Å; L299-Q301 PolarHBondContact O-N 3.48Å; Q301-I303 PolarHBondContact O-N 2.67Å; Q301-V304 WeakPolarHBondContact O-CG2 3.31Å; Q301-V304 PolarHBondContact O-N 2.83Å; Q301-G305 PolarHBondContact O-N 2.96Å; Q301-K306 HydrophobicContact CB-CB 3.97Å; Q301-K306 HydrophobicContact CB-CG 3.96Å; Q301-K306 PolarHBondContact O-N 3.41Å; Q301-C311 HydrophobicContact CB-CB 4.35Å; Q301-A314 HydrophobicContact CB-CB 4.37Å; Q301-A314 HydrophobicContact CG-CB 3.37Å; Q301-Y336 HydrophobicContact CG-CE1 4.29Å
302Y97.8Very high97.3Very high50 Ų5026.7 Ų26.720%0.19615%0.15CC..Hα-helixtrans-61.4-44.2-176.9-169.3-113000111.8Y157 M187 V211 F298 L299 V304 G305 C311Y157-Y302 HydrophobicContact CD1-CD1 4.3Å; Y157-Y302 HydrophobicContact CD1-CE1 4.35Å; Y157-Y302 HydrophobicContact CE1-CD1 4.14Å; Y157-Y302 HydrophobicContact CE1-CE1 4.09Å; M187-Y302 HydrophobicContact SD-CD1 3.85Å; M187-Y302 HydrophobicContact SD-CE1 3.89Å; V211-Y302 HydrophobicContact CG2-CE1 3.88Å; F298-Y302 HydrophobicContact CD1-CG 4.29Å; F298-Y302 AromaticContact CE1-CD1 3.98Å; F298-Y302 HydrophobicContact CE1-CD1 3.98Å; F298-Y302 AromaticContact CE1-CD2 3.74Å; F298-Y302 HydrophobicContact CE1-CD2 3.74Å; F298-Y302 HydrophobicContact CE1-CE2 4.39Å; F298-Y302 AromaticContact CE1-CG 3.5Å; F298-Y302 HydrophobicContact CE1-CG 3.5Å; F298-Y302 VanDerWaalsContact CE1-CG 3.5Å; F298-Y302 AromaticContact CZ-CD2 3.79Å; F298-Y302 HydrophobicContact CZ-CD2 3.79Å; F298-Y302 HydrophobicContact CZ-CE2 4.27Å; F298-Y302 HydrophobicContact CZ-CG 4.06Å; F298-Y302 WeakPolarHBondContact O-CB 3.31Å; F298-Y302 PolarHBondContact O-N 3.24Å; L299-Y302 PolarHBondContact O-N 3.14Å; Y302-V304 PolarHBondContact O-N 3.01Å; Y302-V304 VanDerWaalsContact O-N 3.15Å; Y302-G305 PolarHBondContact O-N 2.83Å; Y302-C311 VanDerWaalsContact CA-SG 3.51Å; Y302-C311 PolarHBondContact N-SG 3.44Å; Y302-C311 VanDerWaalsContact N-SG 3.44Å
303I97.3Very high97.2Very high6 Ų627.3 Ų27.33%0.03116%0.157CC..THydrogen-bonded Turntrans-69.7-15.3-177.973.9177.2000113.7L6 L7 I75 V80 Y157 L299 Q301L6-I303 HydrophobicContact CD2-CB 4.21Å; L6-I303 HydrophobicContact CD2-CD1 4.13Å; L6-I303 HydrophobicContact CD2-CG1 4.09Å; L6-I303 WeakPolarHBondContact CD2-O 3.43Å; L6-I303 HydrophobicContact CG-CB 4.49Å; L6-I303 HydrophobicContact CG-CD1 4.43Å; L7-I303 HydrophobicContact CB-CD1 3.89Å; L7-I303 HydrophobicContact CB-CG2 4.36Å; L7-I303 HydrophobicContact CD1-CG2 4.33Å; L7-I303 HydrophobicContact CD2-CD1 4.3Å; L7-I303 HydrophobicContact CD2-CG2 4.4Å; I75-I303 HydrophobicContact CD1-CD1 3.69Å; V80-I303 HydrophobicContact CG1-CD1 4.14Å; Y157-I303 HydrophobicContact CD1-CB 4.49Å; Y157-I303 HydrophobicContact CD1-CG2 3.9Å; Y157-I303 HydrophobicContact CD2-CB 3.67Å; Y157-I303 HydrophobicContact CD2-CG2 3.68Å; Y157-I303 HydrophobicContact CE1-CG2 4.42Å; Y157-I303 HydrophobicContact CE2-CB 3.8Å; Y157-I303 HydrophobicContact CE2-CG2 4.21Å; Y157-I303 WeakPolarHBondContact CE2-O 3.47Å; Y157-I303 HydrophobicContact CG-CB 4.05Å; Y157-I303 HydrophobicContact CG-CG2 3.52Å; L299-I303 WeakPolarHBondContact O-CG1 3.39Å; L299-I303 WeakPolarHBondContact O-CG2 3.3Å; L299-I303 PolarHBondContact O-N 2.91Å; Q301-I303 PolarHBondContact O-N 2.67Å
304V94.8Very high97.2Very high45 Ų4527.3 Ų27.327%0.27316%0.157SC..THydrogen-bonded Turntrans-101.310.9176.3-61.30000112.8P2 Q301 Y302 K306P2-V304 HydrophobicContact CB-CG1 3.79Å; P2-V304 HydrophobicContact CG-CG1 4.03Å; Q301-V304 WeakPolarHBondContact O-CG2 3.31Å; Q301-V304 PolarHBondContact O-N 2.83Å; Y302-V304 PolarHBondContact O-N 3.01Å; Y302-V304 VanDerWaalsContact O-N 3.15Å; V304-K306 HydrophobicContact CG2-CG 4.07Å
305G94.9Very high97.2Very high59 Ų5926.8 Ų26.861%0.60816%0.155SC*.THydrogen-bonded Turntrans75.931171.500000114.2Q301 Y302Q301-G305 PolarHBondContact O-N 2.96Å; Y302-G305 PolarHBondContact O-N 2.83Å
306K95.8Very high97.1Very high59 Ų5927.4 Ų27.426%0.25716%0.159SC..  trans-74.2159.4170.1-65.5-67.7-172.4167.90110.8Q301 V304 D310Q301-K306 HydrophobicContact CB-CB 3.97Å; Q301-K306 HydrophobicContact CB-CG 3.96Å; Q301-K306 PolarHBondContact O-N 3.41Å; V304-K306 HydrophobicContact CG2-CG 4.07Å; K306-D310 HydrophobicContact CB-CB 4.12Å
307E95.9Very high97Very high142 Ų14230.7 Ų30.766%0.66417%0.171SC*.  trans-64.6152.4175.2-64.4-59.9147.100110.9V309 D310 C311E307-V309 PolarHBondContact O-N 2.99Å; E307-D310 WeakPolarHBondContact O-CB 3.42Å; E307-D310 PolarHBondContact O-N 3.47Å; E307-C311 PolarHBondContact O-N 3.07Å; E307-C311 VanDerWaalsContact O-N 3.09Å; E307-C311 PolarHBondContact O-SG 3.49Å
308L96.8Very high96.9Very high34 Ų3430.8 Ų30.818%0.17817%0.172CC..Hα-helixtrans-57.1-38.1-175.8-175.157.5000112.4T253 I255 V265 F272 F298 D310 C311 L312T253-L308 HydrophobicContact CG2-CD1 4.4Å; T253-L308 HydrophobicContact CG2-CD2 4.44Å; I255-L308 HydrophobicContact CD1-CD1 4.45Å; V265-L308 HydrophobicContact CG1-CD2 3.8Å; V265-L308 HydrophobicContact CG1-CG 4.49Å; F272-L308 HydrophobicContact CE1-CD2 3.86Å; F272-L308 HydrophobicContact CZ-CD2 3.79Å; F272-L308 HydrophobicContact CZ-CG 4.15Å; F298-L308 HydrophobicContact CE2-CD1 3.66Å; F298-L308 HydrophobicContact CZ-CD1 3.73Å; L308-D310 VanDerWaalsContact C-N 3.34Å; L308-D310 PolarHBondContact O-N 3.17Å; L308-C311 WeakPolarHBondContact O-CB 3.3Å; L308-C311 PolarHBondContact O-N 3.35Å; L308-L312 HydrophobicContact CG-CD1 4.25Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 3.14Å
309V96.5Very high96.8Very high78 Ų7831.5 Ų31.547%0.47318%0.178SC..Hα-helixtrans-61.6-40.4176.5174.10000112H274 E307 C311 L312 A313H274-V309 PolarHBondContact CE1-O 3.03Å; E307-V309 PolarHBondContact O-N 2.99Å; V309-C311 VanDerWaalsContact C-N 3.34Å; V309-L312 PolarHBondContact O-N 3.39Å; V309-A313 WeakPolarHBondContact O-CB 3.5Å; V309-A313 PolarHBondContact O-N 2.84Å
310D96.6Very high96.6Very high52 Ų5232.9 Ų32.928%0.27818%0.184SC..Hα-helixtrans-70.6-33.5178-64.9-33.9000111.5K306 E307 L308 A314K306-D310 HydrophobicContact CB-CB 4.12Å; E307-D310 WeakPolarHBondContact O-CB 3.42Å; E307-D310 PolarHBondContact O-N 3.47Å; L308-D310 VanDerWaalsContact C-N 3.34Å; L308-D310 PolarHBondContact O-N 3.17Å; D310-A314 WeakPolarHBondContact O-CB 3.4Å; D310-A314 PolarHBondContact O-N 2.96Å
311C97.9Very high96.4Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-65.9-44.6174.9-55.90000111F298 Q301 Y302 E307 L308 V309 A314 G315F298-C311 WeakPolarHBondContact CA-O 3.42Å; F298-C311 HydrophobicContact CD1-CB 4.45Å; F298-C311 HydrophobicContact CD2-CB 3.49Å; F298-C311 VanDerWaalsContact CD2-CB 3.49Å; F298-C311 HydrophobicContact CE1-CB 4.42Å; F298-C311 HydrophobicContact CE2-CB 3.44Å; F298-C311 VanDerWaalsContact CE2-CB 3.44Å; F298-C311 HydrophobicContact CG-CB 4.02Å; F298-C311 HydrophobicContact CZ-CB 3.93Å; Q301-C311 HydrophobicContact CB-CB 4.35Å; Y302-C311 VanDerWaalsContact CA-SG 3.51Å; Y302-C311 PolarHBondContact N-SG 3.44Å; Y302-C311 VanDerWaalsContact N-SG 3.44Å; E307-C311 PolarHBondContact O-N 3.07Å; E307-C311 VanDerWaalsContact O-N 3.09Å; E307-C311 PolarHBondContact O-SG 3.49Å; L308-C311 WeakPolarHBondContact O-CB 3.3Å; L308-C311 PolarHBondContact O-N 3.35Å; V309-C311 VanDerWaalsContact C-N 3.34Å; C311-A314 WeakPolarHBondContact O-CB 3.37Å; C311-A314 PolarHBondContact O-N 3.42Å; C311-G315 PolarHBondContact O-N 3.36Å
312L98Very high96.3Very high0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-62.5-44.6175.9-64.9163.1000111.3I255 I263 V265 F272 H274 F294 F298 L308 V309 A314 G315 V316I255-L312 HydrophobicContact CD1-CD2 4.21Å; I255-L312 HydrophobicContact CG1-CD2 4.48Å; I255-L312 HydrophobicContact CG2-CD2 3.87Å; I263-L312 HydrophobicContact CG2-CD2 4.25Å; V265-L312 HydrophobicContact CG2-CD1 3.75Å; V265-L312 HydrophobicContact CG2-CD2 3.91Å; F272-L312 HydrophobicContact CE2-CD1 3.82Å; F272-L312 HydrophobicContact CZ-CD1 3.9Å; H274-L312 HydrophobicContact CB-CB 4.34Å; H274-L312 HydrophobicContact CB-CD1 3.78Å; F294-L312 HydrophobicContact CZ-CD2 3.98Å; F298-L312 HydrophobicContact CD2-CD2 4.22Å; F298-L312 HydrophobicContact CE2-CD2 4.16Å; F298-L312 HydrophobicContact CE2-CG 4.34Å; L308-L312 HydrophobicContact CG-CD1 4.25Å; L308-L312 VanDerWaalsContact O-CG 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 3.14Å; V309-L312 PolarHBondContact O-N 3.39Å; L312-A314 VanDerWaalsContact C-N 3.29Å; L312-A314 PolarHBondContact O-N 3.38Å; L312-G315 PolarHBondContact O-N 3.04Å; L312-G315 VanDerWaalsContact O-N 3.17Å; L312-V316 WeakPolarHBondContact O-CG2 3.33Å; L312-V316 PolarHBondContact O-N 3.3Å
313A96.7Very high96Very high33 Ų3332.9 Ų32.927%0.27319%0.187SC..Hα-helixtrans-60.5-38.717700000112.3V309 V316 W317V309-A313 WeakPolarHBondContact O-CB 3.5Å; V309-A313 PolarHBondContact O-N 2.84Å; A313-V316 PolarHBondContact O-N 3.3Å; A313-W317 WeakPolarHBondContact O-CB 3.3Å; A313-W317 PolarHBondContact O-N 2.6Å
314A97.3Very high95.8Very high0 Ų036.9 Ų36.90%021%0.206CC..Hα-helixtrans-64.9-41.9175.100000112.8M74 G297 Q301 D310 C311 L312 W317 A318 Y336M74-A314 HydrophobicContact CE-CB 4.15Å; G297-A314 VanDerWaalsContact O-CB 3.24Å; G297-A314 WeakPolarHBondContact O-CB 3.37Å; Q301-A314 HydrophobicContact CB-CB 4.37Å; Q301-A314 HydrophobicContact CG-CB 3.37Å; D310-A314 WeakPolarHBondContact O-CB 3.4Å; D310-A314 PolarHBondContact O-N 2.96Å; C311-A314 WeakPolarHBondContact O-CB 3.37Å; C311-A314 PolarHBondContact O-N 3.42Å; L312-A314 VanDerWaalsContact C-N 3.29Å; L312-A314 PolarHBondContact O-N 3.38Å; A314-W317 PolarHBondContact O-N 3.32Å; A314-A318 WeakPolarHBondContact O-CB 3.4Å; A314-A318 PolarHBondContact O-N 3.02Å; A314-Y336 WeakPolarHBondContact CA-OH 3.49Å; A314-Y336 HydrophobicContact CB-CE1 3.95Å; A314-Y336 HydrophobicContact CB-CE2 4.42Å; A314-Y336 WeakPolarHBondContact CB-OH 3.18Å; A314-Y336 PolarHBondContact N-OH 3.27Å
315G97.6Very high95.6Very high0 Ų039.1 Ų39.10%021%0.209CC..Hα-helixtrans-61.3-49174.500000111.5F294 C311 L312 W317 A318 A319F294-G315 WeakPolarHBondContact CA-O 3.38Å; F294-G315 WeakPolarHBondContact O-CA 3.45Å; C311-G315 PolarHBondContact O-N 3.36Å; L312-G315 PolarHBondContact O-N 3.04Å; L312-G315 VanDerWaalsContact O-N 3.17Å; G315-W317 VanDerWaalsContact C-N 3.31Å; G315-W317 PolarHBondContact O-N 2.96Å; G315-A318 PolarHBondContact O-N 3.44Å; G315-A319 WeakPolarHBondContact O-CB 3.2Å; G315-A319 PolarHBondContact O-N 2.79Å
316V96.6Very high95.2Very high14 Ų1437.4 Ų37.49%0.08519%0.188CC..Hα-helixtrans-58.1-45.2177.3171.40000111I263 V276 F294 L312 A313 A318 A319 H320I263-V316 HydrophobicContact CD1-CG2 3.62Å; V276-V316 HydrophobicContact CG1-CG1 4.2Å; V276-V316 HydrophobicContact CG2-CG2 4.29Å; F294-V316 HydrophobicContact CE2-CG2 4.22Å; L312-V316 WeakPolarHBondContact O-CG2 3.33Å; L312-V316 PolarHBondContact O-N 3.3Å; A313-V316 PolarHBondContact O-N 3.3Å; V316-A318 PolarHBondContact O-N 2.89Å; V316-A319 PolarHBondContact O-N 3.4Å; V316-H320 WeakPolarHBondContact CG1-CE1 3.42Å; V316-H320 WeakPolarHBondContact O-CB 3.47Å; V316-H320 VanDerWaalsContact O-CG 3.24Å; V316-H320 PolarHBondContact O-N 2.98Å
317W96Very high94.8Very high69 Ų6934.7 Ų34.726%0.26118%0.177SC..Hα-helixtrans-59.8-45.7177.417990.1000112.4W73 M74 A313 A314 G315 H320 L321 D335 Y336W73-W317 AromaticContact CH2-CH2 3.67Å; W73-W317 HydrophobicContact CH2-CH2 3.67Å; W73-W317 HydrophobicContact CH2-CZ3 4.01Å; W73-W317 AromaticContact CZ3-CH2 3.86Å; W73-W317 HydrophobicContact CZ3-CH2 3.86Å; W73-W317 AromaticContact CZ3-CZ3 3.69Å; W73-W317 HydrophobicContact CZ3-CZ3 3.69Å; M74-W317 HydrophobicContact CE-CE3 3.67Å; M74-W317 HydrophobicContact CE-CZ3 3.86Å; M74-W317 HydrophobicContact CG-CZ3 4.22Å; M74-W317 HydrophobicContact SD-CE3 4.14Å; M74-W317 HydrophobicContact SD-CZ3 4.01Å; A313-W317 WeakPolarHBondContact O-CB 3.3Å; A313-W317 PolarHBondContact O-N 2.6Å; A314-W317 PolarHBondContact O-N 3.32Å; G315-W317 VanDerWaalsContact C-N 3.31Å; G315-W317 PolarHBondContact O-N 2.96Å; W317-H320 PolarHBondContact O-N 3.37Å; W317-L321 HydrophobicContact CH2-CD2 3.93Å; W317-L321 HydrophobicContact CZ3-CD2 4.25Å; W317-L321 PolarHBondContact O-N 3.12Å; W317-D335 VanDerWaalsContact CZ2-OD1 3.27Å; W317-D335 WeakPolarHBondContact CZ2-OD1 3.43Å; W317-Y336 HydrophobicContact CB-CD2 4.06Å; W317-Y336 HydrophobicContact CB-CE2 3.8Å; W317-Y336 AromaticContact CD1-CD2 3.98Å; W317-Y336 AromaticContact CD2-CD2 3.32Å; W317-Y336 HydrophobicContact CD2-CD2 3.32Å; W317-Y336 HydrophobicContact CD2-CE2 4.01Å; W317-Y336 HydrophobicContact CD2-CG 4.12Å; W317-Y336 AromaticContact CE2-CD2 3.76Å; W317-Y336 AromaticContact CE3-CD2 3.57Å; W317-Y336 HydrophobicContact CE3-CD2 3.57Å; W317-Y336 HydrophobicContact CE3-CE2 4.31Å; W317-Y336 AromaticContact CE3-CG 3.97Å; W317-Y336 HydrophobicContact CE3-CG 3.97Å; W317-Y336 AromaticContact CG-CD2 3.52Å; W317-Y336 HydrophobicContact CG-CD2 3.52Å; W317-Y336 AromaticContact CG-CE2 3.75Å; W317-Y336 HydrophobicContact CG-CE2 3.75Å; W317-Y336 HydrophobicContact CZ2-CD2 4.37Å; W317-Y336 HydrophobicContact CZ3-CD2 4.2Å; W317-Y336 HydrophobicContact CZ3-CG 4.18Å
318A96.7Very high94.5Very high2 Ų228 Ų282%0.01715%0.145CC..Hα-helixtrans-65.8-42.3179.600000112V70 M74 A293 A314 G315 V316 L321 I322V70-A318 HydrophobicContact CG1-CB 3.99Å; M74-A318 HydrophobicContact SD-CB 3.78Å; A293-A318 HydrophobicContact CB-CB 4.41Å; A293-A318 VanDerWaalsContact O-CB 3.23Å; A293-A318 WeakPolarHBondContact O-CB 3.31Å; A314-A318 WeakPolarHBondContact O-CB 3.4Å; A314-A318 PolarHBondContact O-N 3.02Å; G315-A318 PolarHBondContact O-N 3.44Å; V316-A318 PolarHBondContact O-N 2.89Å; A318-L321 PolarHBondContact O-N 2.83Å; A318-I322 WeakPolarHBondContact O-CG1 3.43Å; A318-I322 PolarHBondContact O-N 3.11Å
319A95.7Very high94.3Very high14 Ų1427.9 Ų27.912%0.11615%0.148CC..Hα-helixtrans-60.5-46.9174.700000111.3F294 G315 V316 L321 I322 I323F294-A319 HydrophobicContact CB-CB 4.17Å; G315-A319 WeakPolarHBondContact O-CB 3.2Å; G315-A319 PolarHBondContact O-N 2.79Å; V316-A319 PolarHBondContact O-N 3.4Å; A319-L321 VanDerWaalsContact C-N 3.3Å; A319-L321 PolarHBondContact O-N 3.45Å; A319-I322 PolarHBondContact O-N 2.77Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 WeakPolarHBondContact O-CG2 3.44Å; A319-I323 PolarHBondContact O-N 3.09Å
320H94.9Very high94.1Very high30 Ų3025.5 Ų25.514%0.13913%0.132CC..Hα-helixtrans-59.4-39.4176.4-72.1171000113.1A277 V316 W317 I323 Q324A277-H320 PolarHBondContact O-CE1 3.41Å; A277-H320 PolarHBondContact O-NE2 3.5Å; V316-H320 WeakPolarHBondContact CG1-CE1 3.42Å; V316-H320 WeakPolarHBondContact O-CB 3.47Å; V316-H320 VanDerWaalsContact O-CG 3.24Å; V316-H320 PolarHBondContact O-N 2.98Å; W317-H320 PolarHBondContact O-N 3.37Å; H320-I323 WeakPolarHBondContact O-CG1 3.38Å; H320-Q324 WeakPolarHBondContact O-CG 3.35Å; H320-Q324 PolarHBondContact O-NE2 2.78Å
321L94.7Very high93.9Very high33 Ų3324.6 Ų24.617%0.17313%0.129CC..Hα-helixtrans-64.5-46.5176.6179.872.1000111.3W73 W317 A318 A319 Q324 R325 P331W73-L321 HydrophobicContact CH2-CD2 3.25Å; W73-L321 HydrophobicContact CZ2-CD2 4.24Å; W73-L321 HydrophobicContact CZ3-CD2 3.71Å; W317-L321 HydrophobicContact CH2-CD2 3.93Å; W317-L321 HydrophobicContact CZ3-CD2 4.25Å; W317-L321 PolarHBondContact O-N 3.12Å; A318-L321 PolarHBondContact O-N 2.83Å; A319-L321 VanDerWaalsContact C-N 3.3Å; A319-L321 PolarHBondContact O-N 3.45Å; L321-Q324 PolarHBondContact O-N 3.17Å; L321-R325 WeakPolarHBondContact O-CG 3.49Å; L321-P331 HydrophobicContact CD1-CG 4.34Å; L321-P331 HydrophobicContact CD2-CG 4.1Å
322I93.7Very high93.6Very high1 Ų134.3 Ų34.31%0.00517%0.174CC..Hα-helixtrans-67.8-40.1-176.2-73.3-55.8000111.5A293 A318 A319 Q324 R325 S329 L330A293-I322 HydrophobicContact CB-CB 3.82Å; A293-I322 HydrophobicContact CB-CG1 3.51Å; A293-I322 HydrophobicContact CB-CG2 4.25Å; A318-I322 WeakPolarHBondContact O-CG1 3.43Å; A318-I322 PolarHBondContact O-N 3.11Å; A319-I322 PolarHBondContact O-N 2.77Å; I322-Q324 PolarHBondContact O-N 2.72Å; I322-R325 WeakPolarHBondContact O-CB 3.26Å; I322-R325 PolarHBondContact O-N 2.95Å; I322-R325 VanDerWaalsContact O-O 3.14Å; I322-S329 WeakPolarHBondContact CD1-O 3.47Å; I322-L330 HydrophobicContact CD1-CD2 3.92Å
323I91.9Very high93.2Very high20 Ų2037.8 Ų37.810%0.10320%0.203CC..THydrogen-bonded Turntrans-67.9-10.2-178.264.7-173.1000115I279 I284 V285 D286 A290 A319 H320 R325I279-I323 HydrophobicContact CD1-CD1 3.36Å; I279-I323 HydrophobicContact CD1-CG1 3.69Å; I279-I323 HydrophobicContact CG1-CD1 4.25Å; I284-I323 CarbonylContact C-O 3.59Å; I284-I323 WeakPolarHBondContact CA-O 3.38Å; I284-I323 HydrophobicContact CG1-CD1 4.47Å; V285-I323 PolarHBondContact N-O 2.85Å; D286-I323 PolarHBondContact N-O 3.25Å; D286-I323 CarbonylContact O-C 3.58Å; D286-I323 WeakPolarHBondContact O-CA 3.3Å; A290-I323 HydrophobicContact CB-CG2 3.44Å; A290-I323 VanDerWaalsContact CB-CG2 3.44Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 WeakPolarHBondContact O-CG2 3.44Å; A319-I323 PolarHBondContact O-N 3.09Å; H320-I323 WeakPolarHBondContact O-CG1 3.38Å; I323-R325 VanDerWaalsContact C-N 3.31Å
324Q92.3Very high93Very high89 Ų8938 Ų3842%0.41620%0.203SC..THydrogen-bonded Turntrans-94.313.2174.4-62175.777.300112.1I279 S283 V285 H320 L321 I322I279-Q324 HydrophobicContact CD1-CG 4.34Å; S283-Q324 WeakPolarHBondContact O-CA 3.46Å; S283-Q324 WeakPolarHBondContact O-CG 3.49Å; V285-Q324 WeakPolarHBondContact CG2-O 3.44Å; H320-Q324 WeakPolarHBondContact O-CG 3.35Å; H320-Q324 PolarHBondContact O-NE2 2.78Å; L321-Q324 PolarHBondContact O-N 3.17Å; I322-Q324 PolarHBondContact O-N 2.72Å
325R91.5Very high92.8Very high93 Ų9343.3 Ų43.335%0.35123%0.231SC..SBendtrans-140.4162.6-174.8-52179.269.675.33.3109.2D286 L321 I322 I323 S329D286-R325 WeakPolarHBondContact CB-O 3.37Å; L321-R325 WeakPolarHBondContact O-CG 3.49Å; I322-R325 WeakPolarHBondContact O-CB 3.26Å; I322-R325 PolarHBondContact O-N 2.95Å; I322-R325 VanDerWaalsContact O-O 3.14Å; I323-R325 VanDerWaalsContact C-N 3.31Å; R325-S329 WeakPolarHBondContact CD-O 3.46Å; R325-S329 PolarHBondContact NE-O 2.89Å
326S87.4Confident92.5Very high23 Ų2345 Ų4516%0.16124%0.237CC..SBendtrans-75.3128.7171.5-129.20000109.7E18 S329E18-S326 PolarHBondContact OE1-OG 3.18Å; E18-S326 PolarHBondContact OE2-OG 2.75Å; S326-S329 VanDerWaalsContact O-CB 3.31Å; S326-S329 WeakPolarHBondContact O-CB 3.36Å; S326-S329 PolarHBondContact O-OG 2.93Å
327G87.2Confident91.6Very high2 Ų253.3 Ų53.32%0.02127%0.273CS..SBendtrans48.6-163.3-178.500000114.7D286 S329D286-G327 WeakPolarHBondContact OD2-CA 3.48Å; D286-G327 PolarHBondContact OD2-N 3.06Å; G327-S329 PolarHBondContact O-N 3.12Å
328C89.8Confident89.9Confident1 Ų152.5 Ų52.51%0.00727%0.273CS..SBendtrans-80.259.9174.9-161.90000112N66 R69N66-C328 HydrophobicContact CB-CB 4.11Å; R69-C328 PolarHBondContact NH1-O 3.25Å
329S91.2Very high87.6Confident32 Ų3262.3 Ų62.322%0.22432%0.315CS..PPolyproline II helixtrans-95.9123.8178.567.10000112I322 R325 S326 G327I322-S329 WeakPolarHBondContact CD1-O 3.47Å; R325-S329 WeakPolarHBondContact CD-O 3.46Å; R325-S329 PolarHBondContact NE-O 2.89Å; S326-S329 VanDerWaalsContact O-CB 3.31Å; S326-S329 WeakPolarHBondContact O-CB 3.36Å; S326-S329 PolarHBondContact O-OG 2.93Å; G327-S329 PolarHBondContact O-N 3.12Å
330L93.6Very high87.2Confident28 Ų2864.7 Ų64.715%0.14733%0.325CS..PPolyproline II helixtrans-97.9138.4-174.2-61.7168000111.1R69 V70 W73 V103 I322R69-L330 HydrophobicContact CB-CD1 4.16Å; V70-L330 HydrophobicContact CG2-CD2 3.92Å; W73-L330 HydrophobicContact CB-CD1 3.87Å; W73-L330 HydrophobicContact CD2-CB 4.36Å; W73-L330 HydrophobicContact CD2-CD1 4.41Å; W73-L330 HydrophobicContact CD2-CD2 3.99Å; W73-L330 HydrophobicContact CD2-CG 4.48Å; W73-L330 HydrophobicContact CE3-CD2 3.74Å; W73-L330 HydrophobicContact CG-CB 4.42Å; W73-L330 HydrophobicContact CG-CD1 4.02Å; W73-L330 HydrophobicContact CG-CD2 4.46Å; W73-L330 HydrophobicContact CZ3-CD2 4.14Å; V103-L330 HydrophobicContact CG1-CD1 4.04Å; I322-L330 HydrophobicContact CD1-CD2 3.92Å
331P92.4Very high86.8Confident33 Ų3366.5 Ų66.521%0.21434%0.335CS..PPolyproline II helixtrans-59.3160.6164.6-19.831.3000111.9W73 L321 A333W73-P331 HydrophobicContact CH2-CG 4.49Å; W73-P331 HydrophobicContact CZ2-CB 4.18Å; W73-P331 HydrophobicContact CZ2-CG 4.1Å; W73-P331 PolarHBondContact NE1-O 3.16Å; L321-P331 HydrophobicContact CD1-CG 4.34Å; L321-P331 HydrophobicContact CD2-CG 4.1Å; P331-A333 PolarHBondContact O-N 3.47Å
332E90.5Very high86.4Confident203 Ų20368.4 Ų68.495%0.94934%0.344SS*.SBendtrans-59.6-45.2179.8-174.8179179.800112.3
333A89.9Confident85.9Confident74 Ų7472.4 Ų72.461%0.61236%0.364SS*.SBendtrans-114.5140.4178.500000111.1W73 P331W73-A333 WeakPolarHBondContact CZ2-O 2.96Å; P331-A333 PolarHBondContact O-N 3.47Å
334C92.8Very high85.6Confident38 Ų3875.6 Ų75.626%0.25738%0.381SS..  trans-83.4121.9168-174.80000109.8W73 Y336W73-C334 HydrophobicContact CD2-CB 3.82Å; W73-C334 HydrophobicContact CE3-CB 4.12Å; W73-C334 HydrophobicContact CG-CB 4.46Å; W73-C334 HydrophobicContact CH2-CB 3.85Å; W73-C334 HydrophobicContact CZ2-CB 3.59Å; W73-C334 HydrophobicContact CZ3-CB 4.14Å; C334-Y336 WeakPolarHBondContact SG-CB 3.5Å; C334-Y336 PolarHBondContact SG-N 3.28Å
335D91.6Very high85.1Confident111 Ų11174.7 Ų74.759%0.59438%0.378SS*.  trans-99.59.7175.465.7-31.8000113W317 K337W317-D335 VanDerWaalsContact CZ2-OD1 3.27Å; W317-D335 WeakPolarHBondContact CZ2-OD1 3.43Å; D335-K337 PolarHBondContact O-N 2.85Å
336Y91.5Very high84.7Confident34 Ų3473.4 Ų73.413%0.13338%0.38CS..  trans-60.7119171.5-171.2-114.5000111M74 Q301 A314 W317 C334 L338M74-Y336 HydrophobicContact CE-CD1 3.43Å; M74-Y336 VanDerWaalsContact CE-CD1 3.43Å; M74-Y336 HydrophobicContact CE-CD2 4.03Å; M74-Y336 HydrophobicContact CE-CE1 3.75Å; M74-Y336 HydrophobicContact CE-CE2 4.31Å; M74-Y336 HydrophobicContact CE-CG 3.57Å; Q301-Y336 HydrophobicContact CG-CE1 4.29Å; A314-Y336 WeakPolarHBondContact CA-OH 3.49Å; A314-Y336 HydrophobicContact CB-CE1 3.95Å; A314-Y336 HydrophobicContact CB-CE2 4.42Å; A314-Y336 WeakPolarHBondContact CB-OH 3.18Å; A314-Y336 PolarHBondContact N-OH 3.27Å; W317-Y336 HydrophobicContact CB-CD2 4.06Å; W317-Y336 HydrophobicContact CB-CE2 3.8Å; W317-Y336 AromaticContact CD1-CD2 3.98Å; W317-Y336 AromaticContact CD2-CD2 3.32Å; W317-Y336 HydrophobicContact CD2-CD2 3.32Å; W317-Y336 HydrophobicContact CD2-CE2 4.01Å; W317-Y336 HydrophobicContact CD2-CG 4.12Å; W317-Y336 AromaticContact CE2-CD2 3.76Å; W317-Y336 AromaticContact CE3-CD2 3.57Å; W317-Y336 HydrophobicContact CE3-CD2 3.57Å; W317-Y336 HydrophobicContact CE3-CE2 4.31Å; W317-Y336 AromaticContact CE3-CG 3.97Å; W317-Y336 HydrophobicContact CE3-CG 3.97Å; W317-Y336 AromaticContact CG-CD2 3.52Å; W317-Y336 HydrophobicContact CG-CD2 3.52Å; W317-Y336 AromaticContact CG-CE2 3.75Å; W317-Y336 HydrophobicContact CG-CE2 3.75Å; W317-Y336 HydrophobicContact CZ2-CD2 4.37Å; W317-Y336 HydrophobicContact CZ3-CD2 4.2Å; W317-Y336 HydrophobicContact CZ3-CG 4.18Å; C334-Y336 WeakPolarHBondContact SG-CB 3.5Å; C334-Y336 PolarHBondContact SG-N 3.28Å; Y336-L338 HydrophobicContact CD1-CB 4.24Å; Y336-L338 HydrophobicContact CE1-CB 3.55Å; Y336-L338 HydrophobicContact CE1-CD1 4.08Å; Y336-L338 HydrophobicContact CE1-CG 4.43Å; Y336-L338 HydrophobicContact CE2-CD1 4.1Å; Y336-L338 VanDerWaalsContact CZ-CD1 3.47Å; Y336-L338 WeakPolarHBondContact OH-CD1 3.42Å
337K79.3Confident84.5Confident190 Ų19077.3 Ų77.383%0.82640%0.397SS*.  trans-106.798.5179.2-62.8-176.6-174.1176.90109.7D335D335-K337 PolarHBondContact O-N 2.85Å
338L59.7Low84.2Confident52 Ų5283.6 Ų83.627%0.27243%0.428SS..  trans-145.562.4166.8-113.2147.5000111.8Y336Y336-L338 HydrophobicContact CD1-CB 4.24Å; Y336-L338 HydrophobicContact CE1-CB 3.55Å; Y336-L338 HydrophobicContact CE1-CD1 4.08Å; Y336-L338 HydrophobicContact CE1-CG 4.43Å; Y336-L338 HydrophobicContact CE2-CD1 4.1Å; Y336-L338 VanDerWaalsContact CZ-CD1 3.47Å; Y336-L338 WeakPolarHBondContact OH-CD1 3.42Å
339F48.4Very low83.7Confident207 Ų20791.1 Ų91.191%0.90847%0.467SS*.  trans-126.90161.4-68.5-67.8000110.8

Retrieved 339 of 339 residues in 174.3 ms (Link to these results)

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