A0A087YMV1_POEFO Loading...

Family with sequence similarity 102 member Bb

AlphaFold DB , UniProt , Accession A0A087YMV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 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
1M39.7Very low69.4Low243 Ų243141.3 Ų141.3100%1.19768%0.677SS**  01000-67.9179.8-17500106.6L3M1-L3 PolarHBondContact O-N 3.5Å
2D44.2Very low71.6Confident152 Ų152137.1 Ų137.181%0.81365%0.654SS**  trans-76.4121-178.6-63.1-73000110.5M4D2-M4 VanDerWaalsContact C-N 3.31Å; D2-M4 PolarHBondContact O-N 3.45Å
3L53Low73.4Confident145 Ų145126.7 Ų126.776%0.75960%0.604SS**  trans-70.591173.4179.763.1000108.4M1 M5M1-L3 PolarHBondContact O-N 3.5Å; L3-M5 VanDerWaalsContact C-N 3.29Å; L3-M5 HydrophobicContact CD2-CE 4.07Å; L3-M5 HydrophobicContact CG-CG 4.4Å; L3-M5 PolarHBondContact O-N 2.78Å
4M56Low75.1Confident169 Ų169122.8 Ų122.883%0.83358%0.581SS**  trans-62.389.1174.9-72.2-168.3177.800110.3D2 M6D2-M4 VanDerWaalsContact C-N 3.31Å; D2-M4 PolarHBondContact O-N 3.45Å; M4-M6 VanDerWaalsContact C-N 3.32Å; M4-M6 PolarHBondContact O-N 2.76Å
5M61.1Low76.5Confident160 Ų160114.6 Ų114.679%0.78854%0.542SS*.  trans-66.590.6174.3-68.9-169.1-179.600109.6L3 K7L3-M5 VanDerWaalsContact C-N 3.29Å; L3-M5 HydrophobicContact CD2-CE 4.07Å; L3-M5 HydrophobicContact CG-CG 4.4Å; L3-M5 PolarHBondContact O-N 2.78Å; M5-K7 PolarHBondContact O-N 3.2Å
6M67.1Low77.9Confident145 Ų145109.9 Ų109.971%0.71452%0.521SS*.  trans-55.3108175.4-71.4-174.7154.600110.1M4 K8 A73M4-M6 VanDerWaalsContact C-N 3.32Å; M4-M6 PolarHBondContact O-N 2.76Å; M6-K8 PolarHBondContact O-N 3.31Å; M6-A73 HydrophobicContact CB-CB 3.65Å; M6-A73 HydrophobicContact CG-CB 4.48Å; M6-A73 HydrophobicContact SD-CB 4.17Å
7K77.3Confident79Confident190 Ų190103.4 Ų103.483%0.82649%0.49SS*.  trans-63.6109.8-177.1-169.8174.4-175.4175.20109.3M5 K9M5-K7 PolarHBondContact O-N 3.2Å; K7-K9 PolarHBondContact O-N 2.9Å
8K85Confident80.1Confident101 Ų101100.6 Ų100.644%0.43948%0.477SS..  trans-47.4133.7178.3-71.7-160.3-177.9-1690111M6 A71 D79M6-K8 PolarHBondContact O-N 3.31Å; K8-A71 WeakPolarHBondContact CA-O 3.35Å; K8-A71 WeakPolarHBondContact CB-O 3.28Å; K8-D79 VanDerWaalsContact CD-OD2 3.29Å; K8-D79 WeakPolarHBondContact CD-OD2 3.46Å; K8-D79 IonicContact NZ-OD1 2.68Å; K8-D79 PolarHBondContact NZ-OD1 3.37Å; K8-D79 IonicContact NZ-OD2 2.79Å; K8-D79 PolarHBondContact NZ-OD2 3.16Å
9K91.1Very high81Confident78 Ų7895.3 Ų95.334%0.33945%0.452SS..EExtended strand (participates in β ladder)trans-58.7145.2169.5-67.4-169.5-176.5-175.50108.5K7 F11 S70 A71 D149 C151K7-K9 PolarHBondContact O-N 2.9Å; K9-F11 HydrophobicContact CB-CE1 4.31Å; K9-F11 HydrophobicContact CB-CE2 3.66Å; K9-F11 HydrophobicContact CB-CZ 3.4Å; K9-F11 HydrophobicContact CD-CE1 4.5Å; K9-F11 HydrophobicContact CD-CZ 3.91Å; K9-F11 HydrophobicContact CG-CZ 4.32Å; K9-S70 CarbonylContact O-C 3.51Å; K9-S70 WeakPolarHBondContact O-CA 3.25Å; K9-S70 WeakPolarHBondContact O-CB 3.1Å; K9-A71 HydrophobicContact CB-CB 4.48Å; K9-A71 PolarHBondContact N-O 3.48Å; K9-A71 PolarHBondContact O-N 2.99Å; K9-D149 IonicContact NZ-OD2 2.66Å; K9-D149 PolarHBondContact NZ-OD2 2.81Å; K9-C151 PolarHBondContact NZ-O 3.2Å; K9-C151 VanDerWaalsContact NZ-O 3.15Å
10K93.4Very high81.9Confident164 Ų16491.2 Ų91.271%0.71343%0.432SS*.EExtended strand (participates in β ladder)trans-122.1140.3179.9-66.1-171.7178.2-172.80110.3
11F95.3Very high82.6Confident7 Ų788.2 Ų88.23%0.03142%0.419CS..EExtended strand (participates in β ladder)trans-135.1152.3-176.7-44-91.5000109.6K9 F13 K68 M69 A71 L78 L145 S147 D149 F152K9-F11 HydrophobicContact CB-CE1 4.31Å; K9-F11 HydrophobicContact CB-CE2 3.66Å; K9-F11 HydrophobicContact CB-CZ 3.4Å; K9-F11 HydrophobicContact CD-CE1 4.5Å; K9-F11 HydrophobicContact CD-CZ 3.91Å; K9-F11 HydrophobicContact CG-CZ 4.32Å; F11-F13 HydrophobicContact CB-CD2 4.26Å; F11-F13 HydrophobicContact CB-CE2 3.62Å; F11-F13 HydrophobicContact CB-CZ 4.22Å; F11-F13 HydrophobicContact CG-CE2 4.37Å; F11-K68 WeakPolarHBondContact O-CA 3.2Å; F11-M69 PolarHBondContact N-O 3.35Å; F11-M69 PolarHBondContact O-N 2.78Å; F11-A71 HydrophobicContact CE2-CB 3.48Å; F11-A71 VanDerWaalsContact CE2-CB 3.48Å; F11-A71 HydrophobicContact CZ-CB 3.94Å; F11-L78 HydrophobicContact CD2-CD2 3.53Å; F11-L78 HydrophobicContact CE2-CD2 3.74Å; F11-L78 HydrophobicContact CG-CD2 4.2Å; F11-L145 HydrophobicContact CB-CD1 4.21Å; F11-L145 HydrophobicContact CD1-CD1 4.45Å; F11-S147 CarbonylContact C-O 3.51Å; F11-S147 WeakPolarHBondContact CA-O 3.48Å; F11-D149 HydrophobicContact CE1-CB 4.37Å; F11-D149 WeakPolarHBondContact CE1-O 3.34Å; F11-F152 HydrophobicContact CD1-CD1 4.42Å; F11-F152 HydrophobicContact CE1-CB 4.04Å; F11-F152 HydrophobicContact CE1-CD1 4.35Å; F11-F152 HydrophobicContact CZ-CB 3.97Å
12K95.4Very high85.3Confident91 Ų9176.7 Ų76.740%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-125.8123.6169.4-172.6-171.7175.6-169.20107.2C67 M146 S147K12-C67 CarbonylContact C-O 3.51Å; K12-C67 WeakPolarHBondContact CA-O 3.37Å; K12-M146 HydrophobicContact CD-CB 4.49Å; K12-M146 HydrophobicContact CG-CB 4.47Å; K12-M146 WeakPolarHBondContact O-CA 3.4Å; K12-M146 WeakPolarHBondContact O-CB 3.37Å; K12-M146 PolarHBondContact O-N 3.29Å; K12-S147 VanDerWaalsContact CB-OG 3.22Å; K12-S147 WeakPolarHBondContact CB-OG 3.01Å; K12-S147 PolarHBondContact N-O 3.09Å; K12-S147 PolarHBondContact O-N 3.19Å; K12-S147 VanDerWaalsContact O-N 3.16Å
13F95.9Very high87.8Confident2 Ų271.1 Ų71.11%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-107.9151.1171.9-63.1-90.7000108.9F11 P66 C67 M69 L78 A111 Q144 L145 F152F11-F13 HydrophobicContact CB-CD2 4.26Å; F11-F13 HydrophobicContact CB-CE2 3.62Å; F11-F13 HydrophobicContact CB-CZ 4.22Å; F11-F13 HydrophobicContact CG-CE2 4.37Å; F13-P66 CarbonylContact O-C 3.5Å; F13-P66 WeakPolarHBondContact O-CA 3.44Å; F13-C67 PolarHBondContact N-O 3.47Å; F13-C67 PolarHBondContact O-N 2.86Å; F13-M69 HydrophobicContact CD2-CB 4.37Å; F13-M69 HydrophobicContact CD2-CE 4.09Å; F13-M69 HydrophobicContact CD2-CG 4.02Å; F13-M69 HydrophobicContact CD2-SD 3.64Å; F13-M69 HydrophobicContact CE2-CB 4.18Å; F13-M69 HydrophobicContact CE2-CG 4.19Å; F13-M69 HydrophobicContact CE2-SD 3.61Å; F13-L78 HydrophobicContact CE2-CD1 4.33Å; F13-L78 HydrophobicContact CE2-CD2 4.34Å; F13-L78 HydrophobicContact CZ-CD1 4.23Å; F13-A111 HydrophobicContact CE1-CB 3.99Å; F13-A111 HydrophobicContact CZ-CB 3.92Å; F13-Q144 CarbonylContact C-O 3.53Å; F13-Q144 VanDerWaalsContact CA-O 3.22Å; F13-Q144 WeakPolarHBondContact CA-O 3.27Å; F13-L145 HydrophobicContact CD1-CB 4.11Å; F13-L145 HydrophobicContact CD1-CD1 4.15Å; F13-L145 HydrophobicContact CE1-CB 3.94Å; F13-L145 HydrophobicContact CE1-CD1 3.73Å; F13-L145 HydrophobicContact CE1-CG 4.42Å; F13-L145 HydrophobicContact CE2-CD1 4.4Å; F13-L145 HydrophobicContact CZ-CD1 3.87Å; F13-F152 HydrophobicContact CE1-CE1 4.02Å; F13-F152 AromaticContact CE1-CZ 3.84Å; F13-F152 HydrophobicContact CE1-CZ 3.84Å; F13-F152 HydrophobicContact CZ-CD1 4.34Å; F13-F152 AromaticContact CZ-CE1 3.85Å; F13-F152 HydrophobicContact CZ-CE1 3.85Å; F13-F152 HydrophobicContact CZ-CE2 4.25Å; F13-F152 AromaticContact CZ-CZ 3.8Å; F13-F152 HydrophobicContact CZ-CZ 3.8Å
14R96.6Very high89.7Confident72 Ų7267.6 Ų67.627%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-88.4135.1152-169.1-176.670.7-100.1-10.5106.6D16 T143 Q144 M146R14-D16 IonicContact CZ-OD1 3.87Å; R14-D16 IonicContact CZ-OD2 2.75Å; R14-D16 VanDerWaalsContact CZ-OD2 3.28Å; R14-D16 IonicContact NE-OD1 2.82Å; R14-D16 PolarHBondContact NE-OD1 2.89Å; R14-D16 IonicContact NE-OD2 2.84Å; R14-D16 PolarHBondContact NE-OD2 3.19Å; R14-D16 IonicContact NH2-OD2 3.44Å; R14-D16 PolarHBondContact NH2-OD2 2.58Å; R14-T143 WeakPolarHBondContact O-CA 3.45Å; R14-Q144 VanDerWaalsContact CZ-OE1 3.3Å; R14-Q144 PolarHBondContact N-O 3.34Å; R14-Q144 PolarHBondContact O-N 3.19Å; R14-M146 HydrophobicContact CB-CG 3.89Å; R14-M146 HydrophobicContact CB-SD 3.94Å
15V97.1Very high91.3Very high0 Ų059.6 Ų59.60%028%0.283CS..EExtended strand (participates in β ladder)trans-113.5117.4175.9-179.70000107F17 S64 F65 C67 L107 I141 G142 T143V15-F17 HydrophobicContact CG1-CB 4.38Å; V15-S64 WeakPolarHBondContact O-CA 3.3Å; V15-F65 HydrophobicContact CB-CD2 4.22Å; V15-F65 HydrophobicContact CB-CE1 4.46Å; V15-F65 HydrophobicContact CB-CE2 3.81Å; V15-F65 HydrophobicContact CB-CZ 3.94Å; V15-F65 HydrophobicContact CG1-CE1 4.29Å; V15-F65 HydrophobicContact CG1-CE2 4.09Å; V15-F65 HydrophobicContact CG1-CZ 3.75Å; V15-F65 HydrophobicContact CG2-CE2 4.27Å; V15-F65 PolarHBondContact N-O 3.48Å; V15-F65 PolarHBondContact O-N 3.32Å; V15-C67 HydrophobicContact CG2-CB 3.55Å; V15-L107 HydrophobicContact CG1-CD1 4.22Å; V15-L107 HydrophobicContact CG1-CD2 4.3Å; V15-L107 HydrophobicContact CG2-CD1 4.22Å; V15-I141 HydrophobicContact CG1-CG2 4.23Å; V15-G142 WeakPolarHBondContact CA-O 3.43Å; V15-T143 HydrophobicContact CG2-CG2 4.46Å
16D97.6Very high92.5Very high39 Ų3956.1 Ų56.121%0.20927%0.272CS..EExtended strand (participates in β ladder)trans-100.898.4176.8-62.4-50000106.6R14 S64 G142R14-D16 IonicContact CZ-OD1 3.87Å; R14-D16 IonicContact CZ-OD2 2.75Å; R14-D16 VanDerWaalsContact CZ-OD2 3.28Å; R14-D16 IonicContact NE-OD1 2.82Å; R14-D16 PolarHBondContact NE-OD1 2.89Å; R14-D16 IonicContact NE-OD2 2.84Å; R14-D16 PolarHBondContact NE-OD2 3.19Å; R14-D16 IonicContact NH2-OD2 3.44Å; R14-D16 PolarHBondContact NH2-OD2 2.58Å; D16-S64 WeakPolarHBondContact OD1-CB 3.48Å; D16-G142 PolarHBondContact N-O 2.77Å; D16-G142 PolarHBondContact O-N 3.43Å
17F97.9Very high92.9Very high0 Ų051.4 Ų51.40%025%0.252CS..EExtended strand (participates in β ladder)trans-108.3119.4-169.4-171.8-75.2000110.3V15 L19 V36 R62 F63 F65 V85 L105 V139 I141V15-F17 HydrophobicContact CG1-CB 4.38Å; F17-L19 HydrophobicContact CE1-CB 4.47Å; F17-V36 HydrophobicContact CD1-CG1 4.42Å; F17-V36 HydrophobicContact CE1-CG1 4.27Å; F17-V36 HydrophobicContact CE1-CG2 4.39Å; F17-V36 HydrophobicContact CZ-CG1 4.46Å; F17-R62 CarbonylContact O-C 3.57Å; F17-R62 WeakPolarHBondContact O-CA 3.47Å; F17-F63 HydrophobicContact CD1-CD2 4.16Å; F17-F63 PolarHBondContact N-O 3.49Å; F17-F63 PolarHBondContact O-N 2.63Å; F17-F65 HydrophobicContact CB-CE1 3.88Å; F17-F65 HydrophobicContact CB-CZ 4.47Å; F17-V85 HydrophobicContact CE1-CG2 4.16Å; F17-V85 HydrophobicContact CZ-CG2 3.62Å; F17-L105 HydrophobicContact CE2-CD1 4.15Å; F17-L105 HydrophobicContact CZ-CD1 4.08Å; F17-V139 HydrophobicContact CE1-CB 4.23Å; F17-V139 HydrophobicContact CE1-CG1 3.92Å; F17-V139 HydrophobicContact CZ-CB 4Å; F17-V139 HydrophobicContact CZ-CG1 3.77Å; F17-V139 HydrophobicContact CZ-CG2 4.33Å; F17-I141 HydrophobicContact CD2-CD1 4.19Å; F17-I141 HydrophobicContact CD2-CG1 3.81Å; F17-I141 HydrophobicContact CE2-CD1 3.88Å; F17-I141 HydrophobicContact CE2-CG1 3.9Å
18E98.2Very high92.6Very high52 Ų5246.9 Ų46.924%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-106.3120175.7-163.4171.8123.600111.2R62 V139 I140E18-R62 HydrophobicContact CG-CB 4.49Å; E18-V139 CarbonylContact O-C 3.56Å; E18-V139 VanDerWaalsContact O-CA 3.23Å; E18-V139 WeakPolarHBondContact O-CA 3.32Å; E18-V139 WeakPolarHBondContact O-CB 3.44Å; E18-I140 HydrophobicContact CB-CB 4.09Å; E18-I140 PolarHBondContact N-O 3.27Å; E18-I140 PolarHBondContact O-N 3.39Å
19L98.1Very high92.4Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-90.294168.9178.575.3000108.1F17 C34 W59 R60 K61 F63 V85 L137 V139F17-L19 HydrophobicContact CE1-CB 4.47Å; L19-C34 HydrophobicContact CD1-CB 4.32Å; L19-C34 HydrophobicContact CD2-CB 3.62Å; L19-W59 HydrophobicContact CD1-CE3 4.07Å; L19-W59 HydrophobicContact CD1-CZ3 4.27Å; L19-W59 HydrophobicContact CD2-CB 3.9Å; L19-W59 HydrophobicContact CD2-CD2 3.78Å; L19-W59 HydrophobicContact CD2-CE3 3.8Å; L19-W59 HydrophobicContact CD2-CG 3.84Å; L19-W59 HydrophobicContact CG-CB 4.21Å; L19-W59 HydrophobicContact CG-CD2 4.17Å; L19-W59 HydrophobicContact CG-CE3 3.7Å; L19-W59 HydrophobicContact CG-CG 4.41Å; L19-W59 HydrophobicContact CG-CZ3 4.39Å; L19-R60 CarbonylContact O-C 3.57Å; L19-R60 VanDerWaalsContact O-CA 3.25Å; L19-R60 WeakPolarHBondContact O-CA 3.16Å; L19-R60 PolarHBondContact O-N 3.26Å; L19-K61 PolarHBondContact N-O 3.17Å; L19-K61 PolarHBondContact O-N 3.05Å; L19-F63 HydrophobicContact CB-CE2 3.96Å; L19-F63 HydrophobicContact CD2-CE2 4.44Å; L19-V85 HydrophobicContact CD1-CG1 4.1Å; L19-L137 HydrophobicContact CD1-CD1 3.85Å; L19-V139 HydrophobicContact CD1-CG1 4.34Å
20D97.8Very high92.4Very high13 Ų1345.8 Ų45.87%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-78.9-75.7-176.9-179.421.7000111.3R58 W59 R60 K138D20-R58 CarbonylContact O-C 3.59Å; D20-R58 WeakPolarHBondContact O-CA 3.06Å; D20-W59 PolarHBondContact O-N 2.85Å; D20-R60 PolarHBondContact O-N 3.41Å; D20-R60 VanDerWaalsContact O-N 3.1Å; D20-R60 WeakPolarHBondContact OD1-CG 3.44Å; D20-R60 IonicContact OD1-NE 3.22Å; D20-K138 PolarHBondContact N-O 2.85Å; D20-K138 WeakPolarHBondContact OD2-CD 3.43Å; D20-K138 WeakPolarHBondContact OD2-CE 3.22Å; D20-K138 IonicContact OD2-NZ 2.76Å; D20-K138 PolarHBondContact OD2-NZ 2.75Å
21E97.2Very high92.5Very high30 Ų3040.1 Ų40.114%0.1423%0.226CC..EExtended strand (participates in β ladder)trans-145.3152.5-172.274-168.3160.400114.2V57 R58 K138E21-V57 CarbonylContact C-O 3.49Å; E21-V57 WeakPolarHBondContact CA-O 3.24Å; E21-V57 WeakPolarHBondContact CB-O 3.14Å; E21-R58 HydrophobicContact CB-CG 3.83Å; E21-R58 IonicContact OE2-CZ 3.28Å; E21-R58 IonicContact OE2-NE 3.92Å; E21-R58 PolarHBondContact OE2-NE 2.94Å; E21-R58 IonicContact OE2-NH2 3.03Å; E21-R58 PolarHBondContact OE2-NH2 3.28Å; E21-K138 HydrophobicContact CG-CB 4.08Å; E21-K138 HydrophobicContact CG-CD 4.08Å; E21-K138 PolarHBondContact O-N 3.44Å; E21-K138 IonicContact OE1-NZ 2.78Å
22L96.6Very high92.5Very high0 Ų039.8 Ų39.80%023%0.225CC..EExtended strand (participates in β ladder)trans-108.3132161.4-173.971.6000107.7V25 L32 C56 V57 W59 V87 L122 L137L22-V25 HydrophobicContact CB-CG2 4.35Å; L22-V25 HydrophobicContact CD2-CG2 3.68Å; L22-V25 HydrophobicContact CG-CG2 3.73Å; L22-L32 HydrophobicContact CD2-CD1 3.93Å; L22-C56 CarbonylContact O-C 3.5Å; L22-C56 VanDerWaalsContact O-CA 3.22Å; L22-C56 WeakPolarHBondContact O-CA 3.33Å; L22-C56 PolarHBondContact O-SG 2.78Å; L22-V57 PolarHBondContact N-O 2.94Å; L22-V57 PolarHBondContact O-N 3.05Å; L22-W59 HydrophobicContact CB-CH2 3.6Å; L22-W59 HydrophobicContact CB-CZ3 3.6Å; L22-W59 HydrophobicContact CD2-CH2 4.22Å; L22-V87 HydrophobicContact CD2-CG1 3.8Å; L22-V87 HydrophobicContact CD2-CG2 4.43Å; L22-L122 HydrophobicContact CD1-CD1 3.95Å; L22-L122 HydrophobicContact CD1-CD2 4.26Å; L22-L122 HydrophobicContact CD1-CG 4.11Å; L22-L122 HydrophobicContact CD2-CD1 4.2Å; L22-L137 HydrophobicContact CB-CD1 4.44Å; L22-L137 HydrophobicContact CD1-CB 3.79Å; L22-L137 HydrophobicContact CD1-CD1 4.08Å
23S95.6Very high92.6Very high35 Ų3535.6 Ų35.625%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-125.1165.9-177.6580000110.7V25 S135 I136S23-V25 VanDerWaalsContact C-N 3.26Å; S23-V25 PolarHBondContact O-N 2.79Å; S23-S135 CarbonylContact O-C 3.57Å; S23-S135 WeakPolarHBondContact O-CA 3.39Å; S23-S135 WeakPolarHBondContact O-CB 3.03Å; S23-I136 PolarHBondContact N-O 3.16Å; S23-I136 PolarHBondContact O-N 3.04Å; S23-I136 PolarHBondContact OG-O 3.11Å
24S93.1Very high92.7Very high71 Ų7135.5 Ų35.550%0.49721%0.206SC..SBendtrans62.126.2-176-550000114.9P26 N55S24-P26 WeakPolarHBondContact O-CD 3.48Å; S24-N55 PolarHBondContact N-O 3.39Å; S24-N55 VanDerWaalsContact N-O 3.14Å
25V91.1Very high92.7Very high1 Ų134.2 Ų34.21%0.00620%0.202CC..  trans-66.2117.5-177.9-178.60000110.6L22 S23 V27 L32 V52 N55 S135L22-V25 HydrophobicContact CB-CG2 4.35Å; L22-V25 HydrophobicContact CD2-CG2 3.68Å; L22-V25 HydrophobicContact CG-CG2 3.73Å; S23-V25 VanDerWaalsContact C-N 3.26Å; S23-V25 PolarHBondContact O-N 2.79Å; V25-V27 HydrophobicContact CG1-CB 4.35Å; V25-V27 PolarHBondContact O-N 3.04Å; V25-V27 VanDerWaalsContact O-N 3.11Å; V25-L32 HydrophobicContact CG1-CD1 4.11Å; V25-V52 HydrophobicContact CB-CG1 4.25Å; V25-V52 HydrophobicContact CG1-CG1 4.14Å; V25-V52 HydrophobicContact CG1-CG2 4.09Å; V25-N55 WeakPolarHBondContact CB-O 3.25Å; V25-N55 PolarHBondContact N-O 3.17Å; V25-N55 WeakPolarHBondContact O-CB 3.46Å; V25-N55 PolarHBondContact O-OD1 2.82Å; V25-S135 WeakPolarHBondContact CA-OG 3.19Å
26P85.5Confident92.8Very high88 Ų8834.2 Ų34.257%0.57120%0.202SC*.SBendtrans-73.6-4-174.329.1-35.5000114.1S24 D133S24-P26 WeakPolarHBondContact O-CD 3.48Å; P26-D133 WeakPolarHBondContact CD-OD1 3.41Å
27V74.6Confident92.7Very high46 Ų4637.2 Ų37.228%0.27921%0.211SC..  trans-109.792.2-175.2178.60000109.3V25 N29 V52 K89V25-V27 HydrophobicContact CG1-CB 4.35Å; V25-V27 PolarHBondContact O-N 3.04Å; V25-V27 VanDerWaalsContact O-N 3.11Å; V27-N29 VanDerWaalsContact CG1-O 3.31Å; V27-N29 WeakPolarHBondContact CG1-O 3.37Å; V27-N29 PolarHBondContact O-N 3.02Å; V27-V52 WeakPolarHBondContact O-CG1 3.39Å; V27-K89 HydrophobicContact CG1-CD 4.25Å
28V70.9Confident92.7Very high94 Ų9437.7 Ų37.757%0.5721%0.213SC*.SBendtrans-57.2-29.7179.2-86.50000114.5N55V28-N55 WeakPolarHBondContact CG1-OD1 3.45Å
29N82Confident92.5Very high136 Ų13638.7 Ų38.773%0.72722%0.22SC*.SBendtrans-121.7111.3-179.4-77.8-42.1000112V27 K89V27-N29 VanDerWaalsContact CG1-O 3.31Å; V27-N29 WeakPolarHBondContact CG1-O 3.37Å; V27-N29 PolarHBondContact O-N 3.02Å; N29-K89 PolarHBondContact O-NZ 2.65Å
30G90.1Very high92Very high20 Ų2043.6 Ų43.621%0.20625%0.246CC..  trans175.3169.9175.600000112.4P51 V52G30-P51 WeakPolarHBondContact O-CA 3.48Å; G30-V52 PolarHBondContact O-N 3.02Å
31V95.3Very high91.1Very high46 Ų4644.6 Ų44.628%0.27926%0.26SS..EExtended strand (participates in β ladder)trans-116126.2171.21770000107.5R49 E50 E90V31-R49 HydrophobicContact CG1-CB 3.7Å; V31-R49 HydrophobicContact CG1-CG 4.47Å; V31-E50 CarbonylContact C-O 3.52Å; V31-E50 WeakPolarHBondContact CA-O 3.31Å; V31-E90 HydrophobicContact CB-CB 4.21Å; V31-E90 PolarHBondContact O-N 2.99Å
32L95.8Very high90.6Very high0 Ų047.7 Ų47.70%030%0.299CS..EExtended strand (participates in β ladder)trans-114.9147.5-177.8-53.8-167.2000111.9L22 V25 E50 V52 V57 W59 V87 R88 K89 L100L22-L32 HydrophobicContact CD2-CD1 3.93Å; V25-L32 HydrophobicContact CG1-CD1 4.11Å; L32-E50 PolarHBondContact N-O 2.93Å; L32-E50 PolarHBondContact O-N 2.83Å; L32-V52 HydrophobicContact CD1-CG2 4.17Å; L32-V52 HydrophobicContact CG-CG2 3.93Å; L32-V57 HydrophobicContact CB-CG1 4.46Å; L32-V57 HydrophobicContact CB-CG2 4.13Å; L32-V57 HydrophobicContact CD1-CG2 3.81Å; L32-V57 HydrophobicContact CG-CG2 3.98Å; L32-W59 HydrophobicContact CB-CZ2 3.97Å; L32-W59 PolarHBondContact O-NE1 2.63Å; L32-W59 VanDerWaalsContact O-NE1 3.17Å; L32-V87 HydrophobicContact CD1-CG1 4.27Å; L32-R88 VanDerWaalsContact CA-O 3.28Å; L32-R88 WeakPolarHBondContact CA-O 3.22Å; L32-K89 HydrophobicContact CD2-CB 3.57Å; L32-K89 HydrophobicContact CD2-CD 4.46Å; L32-K89 HydrophobicContact CD2-CG 3.92Å; L32-L100 HydrophobicContact CD1-CD1 3.96Å; L32-L100 HydrophobicContact CD2-CD1 3.71Å
33F97.3Very high90.5Very high2 Ų248.8 Ų48.81%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-143150.2171.468.7-71.7000110.3E46 S47 S48 R49 R88 Y97F33-E46 WeakPolarHBondContact CE2-OE2 3.4Å; F33-S47 WeakPolarHBondContact CA-OG 3.46Å; F33-S48 WeakPolarHBondContact CB-O 3.29Å; F33-R49 HydrophobicContact CB-CG 4Å; F33-R49 HydrophobicContact CD1-CG 4.31Å; F33-R49 HydrophobicContact CG-CG 4.23Å; F33-R88 HydrophobicContact CD1-CB 3.96Å; F33-R88 HydrophobicContact CE1-CB 3.62Å; F33-R88 HydrophobicContact CE2-CB 4.32Å; F33-R88 HydrophobicContact CG-CB 4.44Å; F33-R88 HydrophobicContact CZ-CB 3.83Å; F33-R88 HydrophobicContact CZ-CG 4.37Å; F33-R88 PolarHBondContact N-O 2.81Å; F33-R88 WeakPolarHBondContact O-CB 3.44Å; F33-R88 PolarHBondContact O-N 2.89Å; F33-Y97 HydrophobicContact CZ-CD1 4.24Å; F33-Y97 HydrophobicContact CZ-CG 4.04Å
34C97.7Very high90.6Very high0 Ų050.3 Ų50.30%032%0.315CS..EExtended strand (participates in β ladder)trans-103.7143.3176.5-68.40000110.6L19 E46 S47 W59 V85 S86L19-C34 HydrophobicContact CD1-CB 4.32Å; L19-C34 HydrophobicContact CD2-CB 3.62Å; C34-E46 CarbonylContact O-C 3.5Å; C34-E46 VanDerWaalsContact O-CA 3.25Å; C34-E46 WeakPolarHBondContact O-CA 3.13Å; C34-S47 PolarHBondContact N-OG 2.85Å; C34-S47 PolarHBondContact O-N 3.38Å; C34-W59 WeakPolarHBondContact SG-CH2 3.38Å; C34-V85 HydrophobicContact CB-CG1 3.88Å; C34-S86 CarbonylContact C-O 3.41Å; C34-S86 WeakPolarHBondContact CA-O 3.43Å
35K97.6Very high90.8Very high45 Ų4550.8 Ų50.820%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-102.3118.9157.9-178.1176.4-159.5101.40109.2S44 E45 E46 S86K35-S44 WeakPolarHBondContact CE-OG 3.48Å; K35-S44 PolarHBondContact NZ-OG 2.88Å; K35-E45 CarbonylContact C-O 3.56Å; K35-E45 WeakPolarHBondContact CA-O 3.28Å; K35-E45 WeakPolarHBondContact CG-O 3.4Å; K35-E46 HydrophobicContact CB-CG 3.96Å; K35-E46 HydrophobicContact CD-CG 4.4Å; K35-E46 WeakPolarHBondContact CD-OE1 3.18Å; K35-E46 HydrophobicContact CG-CG 3.89Å; K35-E46 IonicContact NZ-OE1 3.49Å; K35-E46 PolarHBondContact NZ-OE1 2.88Å; K35-S86 PolarHBondContact N-O 2.95Å; K35-S86 PolarHBondContact O-N 2.84Å
36V97.9Very high91.1Very high0 Ų053.6 Ų53.60%032%0.322CS..EExtended strand (participates in β ladder)trans-98.4125.2173.8-173.50000107.7F17 F43 S44 E45 F63 V85F17-V36 HydrophobicContact CD1-CG1 4.42Å; F17-V36 HydrophobicContact CE1-CG1 4.27Å; F17-V36 HydrophobicContact CE1-CG2 4.39Å; F17-V36 HydrophobicContact CZ-CG1 4.46Å; V36-F43 HydrophobicContact CB-CE1 4.32Å; V36-F43 HydrophobicContact CG1-CE1 4.05Å; V36-S44 WeakPolarHBondContact O-CA 3.43Å; V36-E45 PolarHBondContact N-O 3.1Å; V36-E45 PolarHBondContact O-N 3.11Å; V36-E45 VanDerWaalsContact O-O 3.12Å; V36-F63 HydrophobicContact CB-CZ 4.49Å; V36-F63 HydrophobicContact CG2-CD2 4.43Å; V36-F63 HydrophobicContact CG2-CE2 3.79Å; V36-F63 HydrophobicContact CG2-CZ 3.85Å; V36-V85 HydrophobicContact CG2-CG1 4.41Å; V36-V85 HydrophobicContact CG2-CG2 4.36Å
37R97.3Very high91.7Very high103 Ų10349.9 Ų49.939%0.38930%0.298SS..EExtended strand (participates in β ladder)trans-142.3151.6177.567.3174.5-172.5164.86.6112.2L39 F43 C83 R84R37-L39 HydrophobicContact CG-CD2 4.32Å; R37-F43 WeakPolarHBondContact CA-O 3.37Å; R37-C83 CarbonylContact O-C 3.56Å; R37-C83 WeakPolarHBondContact O-CA 3.43Å; R37-C83 PolarHBondContact O-SG 3.33Å; R37-C83 VanDerWaalsContact O-SG 3.34Å; R37-R84 HydrophobicContact CG-CB 4.17Å; R37-R84 PolarHBondContact N-O 2.87Å; R37-R84 PolarHBondContact O-N 3.4Å
38L96.6Very high92.8Very high10 Ų1049.9 Ų49.95%0.05230%0.3CS..EExtended strand (participates in β ladder)trans-80143160.9-75.1179.2000110D40 G41 F43 F65 C83 L107L38-D40 WeakPolarHBondContact CB-OD1 3.31Å; L38-G41 VanDerWaalsContact CB-O 3.27Å; L38-G41 WeakPolarHBondContact CB-O 3.25Å; L38-G41 WeakPolarHBondContact CD1-O 3.48Å; L38-F43 HydrophobicContact CB-CB 4.46Å; L38-F43 HydrophobicContact CD1-CB 3.87Å; L38-F43 HydrophobicContact CG-CB 4.02Å; L38-F43 PolarHBondContact N-O 3.36Å; L38-F65 HydrophobicContact CD1-CD2 4.08Å; L38-F65 HydrophobicContact CD1-CE2 3.99Å; L38-F65 HydrophobicContact CD2-CE2 4.01Å; L38-F65 HydrophobicContact CG-CD2 4.48Å; L38-F65 HydrophobicContact CG-CE2 4Å; L38-C83 HydrophobicContact CD2-CB 4.18Å; L38-L107 HydrophobicContact CD2-CD1 3.54Å
39L94.4Very high94Very high72 Ų7250.9 Ų50.938%0.37729%0.294SS..SBendtrans-86.1-23.5178.7-63.9-168.1000113.6R37 G41 M82 R84R37-L39 HydrophobicContact CG-CD2 4.32Å; L39-G41 VanDerWaalsContact C-N 3.3Å; L39-M82 HydrophobicContact CB-CB 4.27Å; L39-M82 WeakPolarHBondContact CB-O 3.47Å; L39-M82 HydrophobicContact CD1-CB 3.79Å; L39-M82 HydrophobicContact CG-CB 4.1Å; L39-M82 WeakPolarHBondContact CG-O 3.39Å; L39-M82 PolarHBondContact N-O 3.23Å; L39-R84 HydrophobicContact CD2-CB 3.82Å; L39-R84 HydrophobicContact CG-CB 4.32Å
40D87.3Confident94.7Very high103 Ų10347.3 Ų47.355%0.55127%0.273SS*.SBendtrans-80.8-10.5168.256.7-1000112.9L38 C81L38-D40 WeakPolarHBondContact CB-OD1 3.31Å; D40-C81 PolarHBondContact OD2-SG 2.91Å
41G79.6Confident95Very high35 Ų3549 Ų4936%0.36128%0.28SS..SBendtrans103.9-166.6172.600000114L38 L39 F43L38-G41 VanDerWaalsContact CB-O 3.27Å; L38-G41 WeakPolarHBondContact CB-O 3.25Å; L38-G41 WeakPolarHBondContact CD1-O 3.48Å; L39-G41 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 3.14Å
42G85.8Confident95Very high94 Ų9447.5 Ų47.597%0.96927%0.271SS*.SBendtrans77.7-22.317700000116.7
43F95.4Very high94.8Very high23 Ų2354.1 Ų54.110%0.10130%0.302CS..  trans-136.7135171.4-178.5-106000113.1V36 R37 L38 G41 E45 F63 F65V36-F43 HydrophobicContact CB-CE1 4.32Å; V36-F43 HydrophobicContact CG1-CE1 4.05Å; R37-F43 WeakPolarHBondContact CA-O 3.37Å; L38-F43 HydrophobicContact CB-CB 4.46Å; L38-F43 HydrophobicContact CD1-CB 3.87Å; L38-F43 HydrophobicContact CG-CB 4.02Å; L38-F43 PolarHBondContact N-O 3.36Å; G41-F43 PolarHBondContact O-N 3.14Å; F43-E45 HydrophobicContact CE1-CB 4.45Å; F43-E45 HydrophobicContact CE2-CB 4.11Å; F43-E45 HydrophobicContact CE2-CG 3.85Å; F43-E45 HydrophobicContact CZ-CB 3.71Å; F43-E45 HydrophobicContact CZ-CG 3.96Å; F43-F63 HydrophobicContact CZ-CB 3.95Å; F43-F63 AromaticContact CZ-CD1 3.87Å; F43-F63 HydrophobicContact CZ-CD1 3.87Å; F43-F63 HydrophobicContact CZ-CG 4.2Å; F43-F65 HydrophobicContact CB-CB 4.2Å; F43-F65 HydrophobicContact CB-CD2 3.99Å; F43-F65 HydrophobicContact CB-CG 4.08Å; F43-F65 HydrophobicContact CD1-CB 4.35Å; F43-F65 AromaticContact CD1-CD1 3.54Å; F43-F65 HydrophobicContact CD1-CD1 3.54Å; F43-F65 HydrophobicContact CD1-CD2 4.03Å; F43-F65 AromaticContact CD1-CE1 3.7Å; F43-F65 HydrophobicContact CD1-CE1 3.7Å; F43-F65 HydrophobicContact CD1-CE2 4.18Å; F43-F65 AromaticContact CD1-CG 3.71Å; F43-F65 HydrophobicContact CD1-CG 3.71Å; F43-F65 HydrophobicContact CD1-CZ 4.02Å; F43-F65 HydrophobicContact CD2-CB 3.46Å; F43-F65 VanDerWaalsContact CD2-CB 3.46Å; F43-F65 HydrophobicContact CD2-CD1 4Å; F43-F65 AromaticContact CD2-CG 3.77Å; F43-F65 HydrophobicContact CD2-CG 3.77Å; F43-F65 AromaticContact CE1-CD1 3.42Å; F43-F65 HydrophobicContact CE1-CD1 3.42Å; F43-F65 VanDerWaalsContact CE1-CD1 3.42Å; F43-F65 AromaticContact CE1-CE1 3.55Å; F43-F65 HydrophobicContact CE1-CE1 3.55Å; F43-F65 HydrophobicContact CE1-CG 4.06Å; F43-F65 HydrophobicContact CE1-CZ 4.28Å; F43-F65 HydrophobicContact CE2-CB 3.86Å; F43-F65 AromaticContact CE2-CD1 3.89Å; F43-F65 HydrophobicContact CE2-CD1 3.89Å; F43-F65 HydrophobicContact CE2-CG 4.11Å; F43-F65 HydrophobicContact CG-CB 3.73Å; F43-F65 AromaticContact CG-CD1 3.83Å; F43-F65 HydrophobicContact CG-CD1 3.83Å; F43-F65 AromaticContact CG-CD2 3.92Å; F43-F65 HydrophobicContact CG-CD2 3.92Å; F43-F65 HydrophobicContact CG-CE1 4.4Å; F43-F65 HydrophobicContact CG-CE2 4.49Å; F43-F65 AromaticContact CG-CG 3.55Å; F43-F65 HydrophobicContact CG-CG 3.55Å; F43-F65 HydrophobicContact CZ-CB 4.45Å; F43-F65 AromaticContact CZ-CD1 3.6Å; F43-F65 HydrophobicContact CZ-CD1 3.6Å; F43-F65 HydrophobicContact CZ-CE1 4.14Å; F43-F65 HydrophobicContact CZ-CG 4.24Å
44S97Very high94.6Very high67 Ų6758.8 Ų58.847%0.46934%0.341SS..EExtended strand (participates in β ladder)trans-163.2103.2177.7151.30000110.4K35 V36K35-S44 WeakPolarHBondContact CE-OG 3.48Å; K35-S44 PolarHBondContact NZ-OG 2.88Å; V36-S44 WeakPolarHBondContact O-CA 3.43Å
45E97.7Very high94.4Very high81 Ų8162.2 Ų62.238%0.37936%0.359SS..EExtended strand (participates in β ladder)trans-126.3169.2174.7-89.8-165.5-123.900112.5K35 V36 F43 K61 F63K35-E45 CarbonylContact C-O 3.56Å; K35-E45 WeakPolarHBondContact CA-O 3.28Å; K35-E45 WeakPolarHBondContact CG-O 3.4Å; V36-E45 PolarHBondContact N-O 3.1Å; V36-E45 PolarHBondContact O-N 3.11Å; V36-E45 VanDerWaalsContact O-O 3.12Å; F43-E45 HydrophobicContact CE1-CB 4.45Å; F43-E45 HydrophobicContact CE2-CB 4.11Å; F43-E45 HydrophobicContact CE2-CG 3.85Å; F43-E45 HydrophobicContact CZ-CB 3.71Å; F43-E45 HydrophobicContact CZ-CG 3.96Å; E45-K61 IonicContact OE2-NZ 3.73Å; E45-K61 PolarHBondContact OE2-NZ 3.1Å; E45-F63 HydrophobicContact CB-CD1 3.83Å; E45-F63 HydrophobicContact CB-CE1 3.66Å; E45-F63 HydrophobicContact CG-CD1 4.46Å
46E97.6Very high94.2Very high61 Ų6161 Ų6129%0.28536%0.356SS..EExtended strand (participates in β ladder)trans-121.9154.3175.4-53.8-165.1168.700110.7F33 C34 K35 K61 R88F33-E46 WeakPolarHBondContact CE2-OE2 3.4Å; C34-E46 CarbonylContact O-C 3.5Å; C34-E46 VanDerWaalsContact O-CA 3.25Å; C34-E46 WeakPolarHBondContact O-CA 3.13Å; K35-E46 HydrophobicContact CB-CG 3.96Å; K35-E46 HydrophobicContact CD-CG 4.4Å; K35-E46 WeakPolarHBondContact CD-OE1 3.18Å; K35-E46 HydrophobicContact CG-CG 3.89Å; K35-E46 IonicContact NZ-OE1 3.49Å; K35-E46 PolarHBondContact NZ-OE1 2.88Å; E46-K61 PolarHBondContact O-NZ 2.91Å; E46-R88 VanDerWaalsContact CD-NH1 3.32Å; E46-R88 IonicContact OE1-CZ 3.69Å; E46-R88 IonicContact OE1-NH1 3.04Å; E46-R88 PolarHBondContact OE1-NH1 2.85Å; E46-R88 IonicContact OE1-NH2 3.95Å; E46-R88 IonicContact OE2-NH1 2.65Å; E46-R88 PolarHBondContact OE2-NH1 2.58Å
47S97.8Very high94.2Very high10 Ų1061 Ų617%0.0736%0.357CS..  trans-79.6175.7175.770.70000112F33 C34 W59F33-S47 WeakPolarHBondContact CA-OG 3.46Å; C34-S47 PolarHBondContact N-OG 2.85Å; C34-S47 PolarHBondContact O-N 3.38Å; S47-W59 PolarHBondContact OG-NE1 2.95Å
48S97Very high94.2Very high46 Ų4662.7 Ų62.732%0.32236%0.363SS..  trans-60.6164.1157.5550000111.3F33 E50 W59F33-S48 WeakPolarHBondContact CB-O 3.29Å; S48-E50 WeakPolarHBondContact CB-OE1 3.41Å; S48-E50 WeakPolarHBondContact OG-CG 3.24Å; S48-E50 PolarHBondContact OG-OE1 2.97Å; S48-W59 PolarHBondContact O-NE1 3.48Å
49R96.6Very high94.2Very high115 Ų11563 Ų6343%0.43436%0.363SS..  trans-100.6106.6177.8-79.9162.1165.374.4-1.3107.8V31 F33 E90V31-R49 HydrophobicContact CG1-CB 3.7Å; V31-R49 HydrophobicContact CG1-CG 4.47Å; F33-R49 HydrophobicContact CB-CG 4Å; F33-R49 HydrophobicContact CD1-CG 4.31Å; F33-R49 HydrophobicContact CG-CG 4.23Å; R49-E90 WeakPolarHBondContact CD-OE2 3.33Å; R49-E90 IonicContact NE-OE2 2.96Å; R49-E90 PolarHBondContact NE-OE2 2.79Å
50E97Very high94.3Very high61 Ų6167.3 Ų67.329%0.28537%0.374SS..EExtended strand (participates in β ladder)trans-116.3139-170.1-60-59158.700111V31 L32 S48 V57 W59V31-E50 CarbonylContact C-O 3.52Å; V31-E50 WeakPolarHBondContact CA-O 3.31Å; L32-E50 PolarHBondContact N-O 2.93Å; L32-E50 PolarHBondContact O-N 2.83Å; S48-E50 WeakPolarHBondContact CB-OE1 3.41Å; S48-E50 WeakPolarHBondContact OG-CG 3.24Å; S48-E50 PolarHBondContact OG-OE1 2.97Å; E50-V57 HydrophobicContact CB-CG1 3.51Å; E50-V57 HydrophobicContact CG-CG1 4.49Å; E50-W59 HydrophobicContact CG-CG 4.23Å
51P95.6Very high94.8Very high56 Ų5665.2 Ų65.236%0.36436%0.361SS..EExtended strand (participates in β ladder)trans-69.4148.1177.130.2-35.1000111.5G30 Q53G30-P51 WeakPolarHBondContact O-CA 3.48Å; P51-Q53 HydrophobicContact CG-CG 4.42Å; P51-Q53 PolarHBondContact O-N 2.93Å
52V95.3Very high95.7Very high13 Ų1372 Ų728%0.07938%0.375CS..  trans-70.2128165.8-172.10000109.1V25 V27 G30 L32 C56 V57V25-V52 HydrophobicContact CB-CG1 4.25Å; V25-V52 HydrophobicContact CG1-CG1 4.14Å; V25-V52 HydrophobicContact CG1-CG2 4.09Å; V27-V52 WeakPolarHBondContact O-CG1 3.39Å; G30-V52 PolarHBondContact O-N 3.02Å; L32-V52 HydrophobicContact CD1-CG2 4.17Å; L32-V52 HydrophobicContact CG-CG2 3.93Å; V52-C56 WeakPolarHBondContact CA-O 3.44Å; V52-V57 HydrophobicContact CB-CG2 4.18Å; V52-V57 HydrophobicContact CG1-CG2 4.44Å; V52-V57 HydrophobicContact CG2-CG2 3.66Å
53Q93.4Very high96.2Very high139 Ų13967.7 Ų67.765%0.6533%0.33SS*.BIsolated β-bridgetrans-131.8126.1175.9-60.9-176.75.600108.3P51 N55 C56P51-Q53 HydrophobicContact CG-CG 4.42Å; P51-Q53 PolarHBondContact O-N 2.93Å; Q53-N55 VanDerWaalsContact C-N 3.28Å; Q53-N55 PolarHBondContact O-N 3.4Å; Q53-C56 PolarHBondContact N-O 3.04Å; Q53-C56 WeakPolarHBondContact O-CA 3.48Å; Q53-C56 WeakPolarHBondContact O-CB 3.38Å; Q53-C56 PolarHBondContact O-N 2.97Å; Q53-C56 VanDerWaalsContact O-O 3.05Å
54A91.9Very high96.3Very high100 Ų10070.1 Ų70.183%0.82635%0.35SS*.THydrogen-bonded Turntrans48.843.2-178.900000114.5C56A54-C56 PolarHBondContact O-N 2.88Å
55N93.8Very high96.3Very high72 Ų7267.1 Ų67.139%0.38533%0.328SS..THydrogen-bonded Turntrans61.624.7-176.4-46.2-57000114.4S24 V25 V28 Q53S24-N55 PolarHBondContact N-O 3.39Å; S24-N55 VanDerWaalsContact N-O 3.14Å; V25-N55 WeakPolarHBondContact CB-O 3.25Å; V25-N55 PolarHBondContact N-O 3.17Å; V25-N55 WeakPolarHBondContact O-CB 3.46Å; V25-N55 PolarHBondContact O-OD1 2.82Å; V28-N55 WeakPolarHBondContact CG1-OD1 3.45Å; Q53-N55 VanDerWaalsContact C-N 3.28Å; Q53-N55 PolarHBondContact O-N 3.4Å
56C94.3Very high96.2Very high20 Ų2067.2 Ų67.214%0.13534%0.336CS..BIsolated β-bridgetrans-133153.6179-176.10000111L22 V52 Q53 A54L22-C56 CarbonylContact O-C 3.5Å; L22-C56 VanDerWaalsContact O-CA 3.22Å; L22-C56 WeakPolarHBondContact O-CA 3.33Å; L22-C56 PolarHBondContact O-SG 2.78Å; V52-C56 WeakPolarHBondContact CA-O 3.44Å; Q53-C56 PolarHBondContact N-O 3.04Å; Q53-C56 WeakPolarHBondContact O-CA 3.48Å; Q53-C56 WeakPolarHBondContact O-CB 3.38Å; Q53-C56 PolarHBondContact O-N 2.97Å; Q53-C56 VanDerWaalsContact O-O 3.05Å; A54-C56 PolarHBondContact O-N 2.88Å
57V96.7Very high96.1Very high1 Ų164.3 Ų64.31%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-131.2131.5167.6-1760000108E21 L22 L32 E50 V52 W59E21-V57 CarbonylContact C-O 3.49Å; E21-V57 WeakPolarHBondContact CA-O 3.24Å; E21-V57 WeakPolarHBondContact CB-O 3.14Å; L22-V57 PolarHBondContact N-O 2.94Å; L22-V57 PolarHBondContact O-N 3.05Å; L32-V57 HydrophobicContact CB-CG1 4.46Å; L32-V57 HydrophobicContact CB-CG2 4.13Å; L32-V57 HydrophobicContact CD1-CG2 3.81Å; L32-V57 HydrophobicContact CG-CG2 3.98Å; E50-V57 HydrophobicContact CB-CG1 3.51Å; E50-V57 HydrophobicContact CG-CG1 4.49Å; V52-V57 HydrophobicContact CB-CG2 4.18Å; V52-V57 HydrophobicContact CG1-CG2 4.44Å; V52-V57 HydrophobicContact CG2-CG2 3.66Å; V57-W59 HydrophobicContact CB-CH2 4.1Å; V57-W59 HydrophobicContact CB-CZ2 4.03Å; V57-W59 HydrophobicContact CG1-CD2 4.06Å; V57-W59 HydrophobicContact CG1-CH2 4.08Å; V57-W59 HydrophobicContact CG1-CZ2 3.53Å
58R97.1Very high96Very high138 Ų13871.8 Ų71.852%0.52135%0.354SS..EExtended strand (participates in β ladder)trans-119.2114.1-179.8-65.4-173.2161.3137.94.4109.5D20 E21D20-R58 CarbonylContact O-C 3.59Å; D20-R58 WeakPolarHBondContact O-CA 3.06Å; E21-R58 HydrophobicContact CB-CG 3.83Å; E21-R58 IonicContact OE2-CZ 3.28Å; E21-R58 IonicContact OE2-NE 3.92Å; E21-R58 PolarHBondContact OE2-NE 2.94Å; E21-R58 IonicContact OE2-NH2 3.03Å; E21-R58 PolarHBondContact OE2-NH2 3.28Å
59W97.8Very high95.8Very high16 Ų1670.1 Ų70.16%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-96.6-37175.9-60.3-79.8000111.8L19 D20 L22 L32 C34 S47 S48 E50 V57 K61 L137L19-W59 HydrophobicContact CD1-CE3 4.07Å; L19-W59 HydrophobicContact CD1-CZ3 4.27Å; L19-W59 HydrophobicContact CD2-CB 3.9Å; L19-W59 HydrophobicContact CD2-CD2 3.78Å; L19-W59 HydrophobicContact CD2-CE3 3.8Å; L19-W59 HydrophobicContact CD2-CG 3.84Å; L19-W59 HydrophobicContact CG-CB 4.21Å; L19-W59 HydrophobicContact CG-CD2 4.17Å; L19-W59 HydrophobicContact CG-CE3 3.7Å; L19-W59 HydrophobicContact CG-CG 4.41Å; L19-W59 HydrophobicContact CG-CZ3 4.39Å; D20-W59 PolarHBondContact O-N 2.85Å; L22-W59 HydrophobicContact CB-CH2 3.6Å; L22-W59 HydrophobicContact CB-CZ3 3.6Å; L22-W59 HydrophobicContact CD2-CH2 4.22Å; L32-W59 HydrophobicContact CB-CZ2 3.97Å; L32-W59 PolarHBondContact O-NE1 2.63Å; L32-W59 VanDerWaalsContact O-NE1 3.17Å; C34-W59 WeakPolarHBondContact SG-CH2 3.38Å; S47-W59 PolarHBondContact OG-NE1 2.95Å; S48-W59 PolarHBondContact O-NE1 3.48Å; E50-W59 HydrophobicContact CG-CG 4.23Å; V57-W59 HydrophobicContact CB-CH2 4.1Å; V57-W59 HydrophobicContact CB-CZ2 4.03Å; V57-W59 HydrophobicContact CG1-CD2 4.06Å; V57-W59 HydrophobicContact CG1-CH2 4.08Å; V57-W59 HydrophobicContact CG1-CZ2 3.53Å; W59-K61 HydrophobicContact CB-CB 4.47Å; W59-K61 PolarHBondContact O-N 3.17Å; W59-L137 HydrophobicContact CZ3-CD1 4.21Å
60R96.6Very high95.7Very high162 Ų16266.3 Ų66.361%0.61133%0.332SS*.EExtended strand (participates in β ladder)trans45.631.2-173.6-65.6174.7176.4171.4-2.6113.1L19 D20L19-R60 CarbonylContact O-C 3.57Å; L19-R60 VanDerWaalsContact O-CA 3.25Å; L19-R60 WeakPolarHBondContact O-CA 3.16Å; L19-R60 PolarHBondContact O-N 3.26Å; D20-R60 PolarHBondContact O-N 3.41Å; D20-R60 VanDerWaalsContact O-N 3.1Å; D20-R60 WeakPolarHBondContact OD1-CG 3.44Å; D20-R60 IonicContact OD1-NE 3.22Å
61K97.8Very high95.6Very high60 Ų6063.4 Ų63.426%0.26132%0.318SS..EExtended strand (participates in β ladder)trans-89.6117.7-176.6-176.2177.4170.1-175.30109.1L19 E45 E46 W59 F63L19-K61 PolarHBondContact N-O 3.17Å; L19-K61 PolarHBondContact O-N 3.05Å; E45-K61 IonicContact OE2-NZ 3.73Å; E45-K61 PolarHBondContact OE2-NZ 3.1Å; E46-K61 PolarHBondContact O-NZ 2.91Å; W59-K61 HydrophobicContact CB-CB 4.47Å; W59-K61 PolarHBondContact O-N 3.17Å; K61-F63 HydrophobicContact CB-CE2 4.26Å; K61-F63 HydrophobicContact CB-CZ 4.42Å; K61-F63 HydrophobicContact CD-CD1 4.36Å; K61-F63 HydrophobicContact CD-CE1 3.67Å; K61-F63 HydrophobicContact CD-CE2 4.17Å; K61-F63 HydrophobicContact CD-CZ 3.56Å; K61-F63 HydrophobicContact CG-CD2 4.46Å; K61-F63 HydrophobicContact CG-CE1 4.29Å; K61-F63 HydrophobicContact CG-CE2 4.02Å; K61-F63 HydrophobicContact CG-CZ 3.95Å; K61-F63 VanDerWaalsContact NZ-CE1 3.32Å
62R97.8Very high95.3Very high176 Ų17662.9 Ų62.966%0.66432%0.316SS*.EExtended strand (participates in β ladder)trans-87.9135.9168.9-173.4166.558.3-142.9-0.4111F17 E18F17-R62 CarbonylContact O-C 3.57Å; F17-R62 WeakPolarHBondContact O-CA 3.47Å; E18-R62 HydrophobicContact CG-CB 4.49Å
63F97.4Very high94.8Very high4 Ų464.4 Ų64.42%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-118.1145171.9-51-98.7000107.9F17 L19 V36 F43 E45 K61 F65F17-F63 HydrophobicContact CD1-CD2 4.16Å; F17-F63 PolarHBondContact N-O 3.49Å; F17-F63 PolarHBondContact O-N 2.63Å; L19-F63 HydrophobicContact CB-CE2 3.96Å; L19-F63 HydrophobicContact CD2-CE2 4.44Å; V36-F63 HydrophobicContact CB-CZ 4.49Å; V36-F63 HydrophobicContact CG2-CD2 4.43Å; V36-F63 HydrophobicContact CG2-CE2 3.79Å; V36-F63 HydrophobicContact CG2-CZ 3.85Å; F43-F63 HydrophobicContact CZ-CB 3.95Å; F43-F63 AromaticContact CZ-CD1 3.87Å; F43-F63 HydrophobicContact CZ-CD1 3.87Å; F43-F63 HydrophobicContact CZ-CG 4.2Å; E45-F63 HydrophobicContact CB-CD1 3.83Å; E45-F63 HydrophobicContact CB-CE1 3.66Å; E45-F63 HydrophobicContact CG-CD1 4.46Å; K61-F63 HydrophobicContact CB-CE2 4.26Å; K61-F63 HydrophobicContact CB-CZ 4.42Å; K61-F63 HydrophobicContact CD-CD1 4.36Å; K61-F63 HydrophobicContact CD-CE1 3.67Å; K61-F63 HydrophobicContact CD-CE2 4.17Å; K61-F63 HydrophobicContact CD-CZ 3.56Å; K61-F63 HydrophobicContact CG-CD2 4.46Å; K61-F63 HydrophobicContact CG-CE1 4.29Å; K61-F63 HydrophobicContact CG-CE2 4.02Å; K61-F63 HydrophobicContact CG-CZ 3.95Å; K61-F63 VanDerWaalsContact NZ-CE1 3.32Å; F63-F65 HydrophobicContact CB-CD1 4.28Å; F63-F65 HydrophobicContact CB-CE1 4.49Å
64S96.8Very high94.4Very high75 Ų7561 Ų6152%0.52433%0.332SS..EExtended strand (participates in β ladder)trans-130.8115.1175.4141.50000108.5V15 D16V15-S64 WeakPolarHBondContact O-CA 3.3Å; D16-S64 WeakPolarHBondContact OD1-CB 3.48Å
65F96.8Very high94.3Very high3 Ų359.8 Ų59.81%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-140.5150.3-175.757.2-92.3000113.5V15 F17 L38 F43 F63 L107V15-F65 HydrophobicContact CB-CD2 4.22Å; V15-F65 HydrophobicContact CB-CE1 4.46Å; V15-F65 HydrophobicContact CB-CE2 3.81Å; V15-F65 HydrophobicContact CB-CZ 3.94Å; V15-F65 HydrophobicContact CG1-CE1 4.29Å; V15-F65 HydrophobicContact CG1-CE2 4.09Å; V15-F65 HydrophobicContact CG1-CZ 3.75Å; V15-F65 HydrophobicContact CG2-CE2 4.27Å; V15-F65 PolarHBondContact N-O 3.48Å; V15-F65 PolarHBondContact O-N 3.32Å; F17-F65 HydrophobicContact CB-CE1 3.88Å; F17-F65 HydrophobicContact CB-CZ 4.47Å; L38-F65 HydrophobicContact CD1-CD2 4.08Å; L38-F65 HydrophobicContact CD1-CE2 3.99Å; L38-F65 HydrophobicContact CD2-CE2 4.01Å; L38-F65 HydrophobicContact CG-CD2 4.48Å; L38-F65 HydrophobicContact CG-CE2 4Å; F43-F65 HydrophobicContact CB-CB 4.2Å; F43-F65 HydrophobicContact CB-CD2 3.99Å; F43-F65 HydrophobicContact CB-CG 4.08Å; F43-F65 HydrophobicContact CD1-CB 4.35Å; F43-F65 AromaticContact CD1-CD1 3.54Å; F43-F65 HydrophobicContact CD1-CD1 3.54Å; F43-F65 HydrophobicContact CD1-CD2 4.03Å; F43-F65 AromaticContact CD1-CE1 3.7Å; F43-F65 HydrophobicContact CD1-CE1 3.7Å; F43-F65 HydrophobicContact CD1-CE2 4.18Å; F43-F65 AromaticContact CD1-CG 3.71Å; F43-F65 HydrophobicContact CD1-CG 3.71Å; F43-F65 HydrophobicContact CD1-CZ 4.02Å; F43-F65 HydrophobicContact CD2-CB 3.46Å; F43-F65 VanDerWaalsContact CD2-CB 3.46Å; F43-F65 HydrophobicContact CD2-CD1 4Å; F43-F65 AromaticContact CD2-CG 3.77Å; F43-F65 HydrophobicContact CD2-CG 3.77Å; F43-F65 AromaticContact CE1-CD1 3.42Å; F43-F65 HydrophobicContact CE1-CD1 3.42Å; F43-F65 VanDerWaalsContact CE1-CD1 3.42Å; F43-F65 AromaticContact CE1-CE1 3.55Å; F43-F65 HydrophobicContact CE1-CE1 3.55Å; F43-F65 HydrophobicContact CE1-CG 4.06Å; F43-F65 HydrophobicContact CE1-CZ 4.28Å; F43-F65 HydrophobicContact CE2-CB 3.86Å; F43-F65 AromaticContact CE2-CD1 3.89Å; F43-F65 HydrophobicContact CE2-CD1 3.89Å; F43-F65 HydrophobicContact CE2-CG 4.11Å; F43-F65 HydrophobicContact CG-CB 3.73Å; F43-F65 AromaticContact CG-CD1 3.83Å; F43-F65 HydrophobicContact CG-CD1 3.83Å; F43-F65 AromaticContact CG-CD2 3.92Å; F43-F65 HydrophobicContact CG-CD2 3.92Å; F43-F65 HydrophobicContact CG-CE1 4.4Å; F43-F65 HydrophobicContact CG-CE2 4.49Å; F43-F65 AromaticContact CG-CG 3.55Å; F43-F65 HydrophobicContact CG-CG 3.55Å; F43-F65 HydrophobicContact CZ-CB 4.45Å; F43-F65 AromaticContact CZ-CD1 3.6Å; F43-F65 HydrophobicContact CZ-CD1 3.6Å; F43-F65 HydrophobicContact CZ-CE1 4.14Å; F43-F65 HydrophobicContact CZ-CG 4.24Å; F63-F65 HydrophobicContact CB-CD1 4.28Å; F63-F65 HydrophobicContact CB-CE1 4.49Å; F65-L107 HydrophobicContact CE2-CD1 4Å; F65-L107 HydrophobicContact CZ-CD1 4.16Å
66P95.8Very high94.1Very high84 Ų8457 Ų5755%0.54530%0.303SS..EExtended strand (participates in β ladder)trans-78.2121173.831.1-32.6000110.7F13F13-P66 CarbonylContact O-C 3.5Å; F13-P66 WeakPolarHBondContact O-CA 3.44Å
67C95.2Very high94.2Very high0 Ų058.1 Ų58.10%031%0.309CS..EExtended strand (participates in β ladder)trans-100.8137.9171.3177.60000109.7K12 F13 V15 M69 C81K12-C67 CarbonylContact C-O 3.51Å; K12-C67 WeakPolarHBondContact CA-O 3.37Å; F13-C67 PolarHBondContact N-O 3.47Å; F13-C67 PolarHBondContact O-N 2.86Å; V15-C67 HydrophobicContact CG2-CB 3.55Å; C67-M69 HydrophobicContact CB-CE 4.47Å; C67-M69 WeakPolarHBondContact SG-CE 3.46Å; C67-C81 PolarHBondContact SG-SG 2.84Å
68K94.7Very high94.1Very high167 Ų16758.2 Ų58.273%0.72631%0.309SS*.EExtended strand (participates in β ladder)trans-108.6121.9175-67.2173.7-175.6168.70108.2F11F11-K68 WeakPolarHBondContact O-CA 3.2Å
69M94.5Very high94Very high11 Ų1153.5 Ų53.55%0.05429%0.294CS..EExtended strand (participates in β ladder)trans-120.3160.5177.9-58.8-178-172.900110F11 F13 C67 L78 C81 L107 A108F11-M69 PolarHBondContact N-O 3.35Å; F11-M69 PolarHBondContact O-N 2.78Å; F13-M69 HydrophobicContact CD2-CB 4.37Å; F13-M69 HydrophobicContact CD2-CE 4.09Å; F13-M69 HydrophobicContact CD2-CG 4.02Å; F13-M69 HydrophobicContact CD2-SD 3.64Å; F13-M69 HydrophobicContact CE2-CB 4.18Å; F13-M69 HydrophobicContact CE2-CG 4.19Å; F13-M69 HydrophobicContact CE2-SD 3.61Å; C67-M69 HydrophobicContact CB-CE 4.47Å; C67-M69 WeakPolarHBondContact SG-CE 3.46Å; M69-L78 HydrophobicContact CB-CD2 4.07Å; M69-L78 HydrophobicContact SD-CD1 4.06Å; M69-L78 HydrophobicContact SD-CD2 4.47Å; M69-C81 HydrophobicContact CE-CB 4.25Å; M69-C81 HydrophobicContact CG-CB 4.15Å; M69-L107 HydrophobicContact CE-CB 3.77Å; M69-A108 HydrophobicContact SD-CB 4.08Å
70S94.1Very high93.8Very high34 Ų3457 Ų5724%0.23832%0.319CS..EExtended strand (participates in β ladder)trans-125.8167.2165.746.50000110.5K9 L78 D79K9-S70 CarbonylContact O-C 3.51Å; K9-S70 WeakPolarHBondContact O-CA 3.25Å; K9-S70 WeakPolarHBondContact O-CB 3.1Å; S70-L78 CarbonylContact O-C 3.57Å; S70-L78 WeakPolarHBondContact O-CA 3.35Å; S70-D79 WeakPolarHBondContact CB-OD2 3.42Å; S70-D79 PolarHBondContact O-N 2.66Å; S70-D79 PolarHBondContact OG-OD2 3.24Å
71A94.7Very high93.7Very high0 Ų049.5 Ų49.50%029%0.291CS..EExtended strand (participates in β ladder)trans-128.8150.517300000110.9K8 K9 F11 A73 V77 L78K8-A71 WeakPolarHBondContact CA-O 3.35Å; K8-A71 WeakPolarHBondContact CB-O 3.28Å; K9-A71 HydrophobicContact CB-CB 4.48Å; K9-A71 PolarHBondContact N-O 3.48Å; K9-A71 PolarHBondContact O-N 2.99Å; F11-A71 HydrophobicContact CE2-CB 3.48Å; F11-A71 VanDerWaalsContact CE2-CB 3.48Å; F11-A71 HydrophobicContact CZ-CB 3.94Å; A71-A73 PolarHBondContact O-N 2.81Å; A71-V77 WeakPolarHBondContact CA-O 3.44Å; A71-V77 VanDerWaalsContact CB-O 3.25Å; A71-V77 WeakPolarHBondContact CB-O 3.36Å; A71-L78 HydrophobicContact CB-CD2 4.35Å
72S89Confident93.6Very high46 Ų4649.4 Ų49.432%0.32229%0.293SS..  trans-61.1126.3168.6177.60000110.1G74 T75 G76 V77S72-G74 PolarHBondContact O-N 2.97Å; S72-T75 WeakPolarHBondContact CB-OG1 3.23Å; S72-T75 PolarHBondContact O-N 3.22Å; S72-G76 WeakPolarHBondContact O-CA 3.47Å; S72-G76 PolarHBondContact O-N 2.95Å; S72-V77 PolarHBondContact N-O 3.48Å
73A84.8Confident93.6Very high44 Ų4441 Ų4136%0.36426%0.261SS..THydrogen-bonded Turntrans-64.3-28-175.700000113.3M6 A71M6-A73 HydrophobicContact CB-CB 3.65Å; M6-A73 HydrophobicContact CG-CB 4.48Å; M6-A73 HydrophobicContact SD-CB 4.17Å; A71-A73 PolarHBondContact O-N 2.81Å
74G86.1Confident93.5Very high67 Ų6743 Ų4369%0.69127%0.269SS*.THydrogen-bonded Turntrans-84-29.318000000115S72S72-G74 PolarHBondContact O-N 2.97Å
75T89.2Confident93.6Very high76 Ų7639.4 Ų39.447%0.46624%0.244SC..THydrogen-bonded Turntrans-108.5-20.8-175.865.10000114S72 V77S72-T75 WeakPolarHBondContact CB-OG1 3.23Å; S72-T75 PolarHBondContact O-N 3.22Å; T75-V77 PolarHBondContact O-N 3.34Å; T75-V77 PolarHBondContact OG1-N 3.35Å
76G90.3Very high93.5Very high14 Ų1439.5 Ų39.514%0.14425%0.245CC..  trans73.7-1.3-170.600000114.5S72 F152 K153S72-G76 WeakPolarHBondContact O-CA 3.47Å; S72-G76 PolarHBondContact O-N 2.95Å; G76-F152 CarbonylContact O-C 3.59Å; G76-F152 WeakPolarHBondContact O-CA 3.41Å; G76-K153 PolarHBondContact O-N 2.57Å
77V94.8Very high93.5Very high43 Ų4335.5 Ų35.526%0.26122%0.219SC..BIsolated β-bridgetrans-75.3131.3-178.4-177.70000110.5A71 S72 T75 K153 P155A71-V77 WeakPolarHBondContact CA-O 3.44Å; A71-V77 VanDerWaalsContact CB-O 3.25Å; A71-V77 WeakPolarHBondContact CB-O 3.36Å; S72-V77 PolarHBondContact N-O 3.48Å; T75-V77 PolarHBondContact O-N 3.34Å; T75-V77 PolarHBondContact OG1-N 3.35Å; V77-K153 WeakPolarHBondContact CA-O 3.28Å; V77-K153 HydrophobicContact CG2-CB 3.97Å; V77-K153 HydrophobicContact CG2-CD 4.32Å; V77-P155 HydrophobicContact CG1-CB 4.33Å
78L95.4Very high93.5Very high3 Ų336.7 Ų36.72%0.01622%0.223CC..BIsolated β-bridgetrans-61.5134.8174.2-69.7170.7000111.4F11 F13 M69 S70 A71 A108 A111 F152 K153F11-L78 HydrophobicContact CD2-CD2 3.53Å; F11-L78 HydrophobicContact CE2-CD2 3.74Å; F11-L78 HydrophobicContact CG-CD2 4.2Å; F13-L78 HydrophobicContact CE2-CD1 4.33Å; F13-L78 HydrophobicContact CE2-CD2 4.34Å; F13-L78 HydrophobicContact CZ-CD1 4.23Å; M69-L78 HydrophobicContact CB-CD2 4.07Å; M69-L78 HydrophobicContact SD-CD1 4.06Å; M69-L78 HydrophobicContact SD-CD2 4.47Å; S70-L78 CarbonylContact O-C 3.57Å; S70-L78 WeakPolarHBondContact O-CA 3.35Å; A71-L78 HydrophobicContact CB-CD2 4.35Å; L78-A108 HydrophobicContact CB-CB 3.91Å; L78-A108 HydrophobicContact CD1-CB 4.36Å; L78-A111 HydrophobicContact CD1-CB 3.42Å; L78-A111 VanDerWaalsContact CD1-CB 3.42Å; L78-F152 HydrophobicContact CD1-CD2 3.5Å; L78-F152 HydrophobicContact CD1-CE2 3.81Å; L78-F152 HydrophobicContact CD1-CG 4.28Å; L78-F152 HydrophobicContact CD2-CB 4.32Å; L78-F152 HydrophobicContact CD2-CD2 4.42Å; L78-F152 HydrophobicContact CD2-CG 4.43Å; L78-F152 HydrophobicContact CG-CB 4.3Å; L78-F152 HydrophobicContact CG-CD2 3.86Å; L78-F152 HydrophobicContact CG-CG 4.31Å; L78-K153 PolarHBondContact N-O 2.82Å
79D94.3Very high93.4Very high38 Ų3831.1 Ų31.120%0.20320%0.199CC..PPolyproline II helixtrans-63.3141.4168.9-63.4-54000109.8K8 S70 C81K8-D79 VanDerWaalsContact CD-OD2 3.29Å; K8-D79 WeakPolarHBondContact CD-OD2 3.46Å; K8-D79 IonicContact NZ-OD1 2.68Å; K8-D79 PolarHBondContact NZ-OD1 3.37Å; K8-D79 IonicContact NZ-OD2 2.79Å; K8-D79 PolarHBondContact NZ-OD2 3.16Å; S70-D79 WeakPolarHBondContact CB-OD2 3.42Å; S70-D79 PolarHBondContact O-N 2.66Å; S70-D79 PolarHBondContact OG-OD2 3.24Å; D79-C81 PolarHBondContact O-N 2.81Å
80P94.2Very high93.4Very high90 Ų9032.6 Ų32.658%0.58421%0.206SC*.PPolyproline II helixtrans-57.9130.7177-25.735000112.7M82 N106P80-M82 HydrophobicContact CB-SD 4.24Å; P80-N106 VanDerWaalsContact CA-OD1 3.32Å; P80-N106 WeakPolarHBondContact CA-OD1 3.44Å
81C95Very high93.4Very high4 Ų434.6 Ų34.63%0.02721%0.213CC..  trans-120.8101.3175-179.40000108.8D40 C67 M69 D79 N106 L107D40-C81 PolarHBondContact OD2-SG 2.91Å; C67-C81 PolarHBondContact SG-SG 2.84Å; M69-C81 HydrophobicContact CE-CB 4.25Å; M69-C81 HydrophobicContact CG-CB 4.15Å; D79-C81 PolarHBondContact O-N 2.81Å; C81-N106 PolarHBondContact N-OD1 2.86Å; C81-L107 PolarHBondContact O-N 2.87Å
82M95.4Very high93.1Very high59 Ų5943.1 Ų43.129%0.29125%0.25SS..EExtended strand (participates in β ladder)trans-86.9122.3-169.7-56.4-50.8-63.400111.7L39 P80 D104 N106L39-M82 HydrophobicContact CB-CB 4.27Å; L39-M82 WeakPolarHBondContact CB-O 3.47Å; L39-M82 HydrophobicContact CD1-CB 3.79Å; L39-M82 HydrophobicContact CG-CB 4.1Å; L39-M82 WeakPolarHBondContact CG-O 3.39Å; L39-M82 PolarHBondContact N-O 3.23Å; P80-M82 HydrophobicContact CB-SD 4.24Å; M82-D104 HydrophobicContact CE-CB 3.81Å; M82-N106 HydrophobicContact CE-CB 4.04Å; M82-N106 HydrophobicContact SD-CB 3.62Å
83C96.6Very high92.9Very high0 Ų043.9 Ų43.90%027%0.265CS..EExtended strand (participates in β ladder)trans-101.4122.4167.7-172.20000109.8R37 L38 L105 L107R37-C83 CarbonylContact O-C 3.56Å; R37-C83 WeakPolarHBondContact O-CA 3.43Å; R37-C83 PolarHBondContact O-SG 3.33Å; R37-C83 VanDerWaalsContact O-SG 3.34Å; L38-C83 HydrophobicContact CD2-CB 4.18Å; C83-L105 PolarHBondContact N-O 2.89Å; C83-L105 PolarHBondContact O-N 2.96Å; C83-L107 HydrophobicContact CB-CD1 3.85Å; C83-L107 HydrophobicContact CB-CD2 3.88Å; C83-L107 HydrophobicContact CB-CG 3.75Å
84R96.6Very high93.1Very high45 Ų4543.4 Ų43.417%0.1727%0.265CS..EExtended strand (participates in β ladder)trans-98.9119176.5-173.5164.9-62.3-151.10.9110.7R37 L39 F102 A103 D104R37-R84 HydrophobicContact CG-CB 4.17Å; R37-R84 PolarHBondContact N-O 2.87Å; R37-R84 PolarHBondContact O-N 3.4Å; L39-R84 HydrophobicContact CD2-CB 3.82Å; L39-R84 HydrophobicContact CG-CB 4.32Å; R84-F102 HydrophobicContact CG-CB 3.92Å; R84-F102 HydrophobicContact CG-CD2 4.08Å; R84-F102 HydrophobicContact CG-CG 4.31Å; R84-F102 VanDerWaalsContact NH1-CD2 3.35Å; R84-A103 WeakPolarHBondContact CA-O 3.35Å; R84-D104 WeakPolarHBondContact CA-OD1 3.28Å; R84-D104 WeakPolarHBondContact CB-OD1 3.11Å; R84-D104 WeakPolarHBondContact CD-OD1 3.05Å; R84-D104 WeakPolarHBondContact CG-OD1 3.46Å; R84-D104 IonicContact CZ-OD1 2.67Å; R84-D104 IonicContact CZ-OD2 3.4Å; R84-D104 IonicContact NE-OD1 2.86Å; R84-D104 PolarHBondContact NE-OD1 2.96Å; R84-D104 IonicContact NE-OD2 3.38Å; R84-D104 PolarHBondContact NE-OD2 2.85Å; R84-D104 IonicContact NH2-OD1 3.91Å; R84-D104 PolarHBondContact NH2-OD1 2.85Å; R84-D104 IonicContact NH2-OD2 2.68Å; R84-D104 PolarHBondContact NH2-OD2 2.9Å
85V97.6Very high93.3Very high0 Ų049.2 Ų49.20%027%0.271CS..EExtended strand (participates in β ladder)trans-89.5120.9161.7-172.50000108F17 L19 C34 V36 F102 A103 L105 L137F17-V85 HydrophobicContact CE1-CG2 4.16Å; F17-V85 HydrophobicContact CZ-CG2 3.62Å; L19-V85 HydrophobicContact CD1-CG1 4.1Å; C34-V85 HydrophobicContact CB-CG1 3.88Å; V36-V85 HydrophobicContact CG2-CG1 4.41Å; V36-V85 HydrophobicContact CG2-CG2 4.36Å; V85-F102 CarbonylContact O-C 3.59Å; V85-F102 WeakPolarHBondContact O-CA 3.21Å; V85-F102 VanDerWaalsContact O-CB 3.28Å; V85-F102 WeakPolarHBondContact O-CB 3.48Å; V85-A103 PolarHBondContact N-O 2.85Å; V85-A103 PolarHBondContact O-N 2.88Å; V85-L105 HydrophobicContact CG2-CD1 3.94Å; V85-L137 HydrophobicContact CB-CD2 3.82Å; V85-L137 HydrophobicContact CG1-CD2 3.76Å; V85-L137 HydrophobicContact CG2-CD2 4.2Å
86S96.3Very high93.5Very high5 Ų547.1 Ų47.14%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-111.2107.9-179.3-53.80000109.9C34 K35 Y125C34-S86 CarbonylContact C-O 3.41Å; C34-S86 WeakPolarHBondContact CA-O 3.43Å; K35-S86 PolarHBondContact N-O 2.95Å; K35-S86 PolarHBondContact O-N 2.84Å; S86-Y125 WeakPolarHBondContact CB-OH 3.41Å; S86-Y125 PolarHBondContact OG-OH 2.83Å; S86-Y125 VanDerWaalsContact OG-OH 3.1Å
87V95.3Very high93.7Very high0 Ų051.8 Ų51.80%028%0.275CS..EExtended strand (participates in β ladder)trans-80.8131.9-179.9-176.70000110.1L22 L32 L100 G101 L122L22-V87 HydrophobicContact CD2-CG1 3.8Å; L22-V87 HydrophobicContact CD2-CG2 4.43Å; L32-V87 HydrophobicContact CD1-CG1 4.27Å; V87-L100 HydrophobicContact CG1-CB 4.32Å; V87-L100 HydrophobicContact CG1-CD1 4.18Å; V87-L100 PolarHBondContact O-N 2.94Å; V87-G101 PolarHBondContact N-O 2.78Å; V87-L122 HydrophobicContact CB-CD1 3.93Å; V87-L122 HydrophobicContact CG1-CD1 4.23Å; V87-L122 HydrophobicContact CG2-CD1 3.74Å; V87-L122 HydrophobicContact CG2-CD2 3.64Å; V87-L122 HydrophobicContact CG2-CG 4.37Å
88R94.5Very high93.5Very high25 Ų2551.4 Ų51.49%0.09428%0.277CS..EExtended strand (participates in β ladder)trans-131.7139.6-177-63169.8176.1174.5-3.6111.2L32 F33 E46 Y97 A98L32-R88 VanDerWaalsContact CA-O 3.28Å; L32-R88 WeakPolarHBondContact CA-O 3.22Å; F33-R88 HydrophobicContact CD1-CB 3.96Å; F33-R88 HydrophobicContact CE1-CB 3.62Å; F33-R88 HydrophobicContact CE2-CB 4.32Å; F33-R88 HydrophobicContact CG-CB 4.44Å; F33-R88 HydrophobicContact CZ-CB 3.83Å; F33-R88 HydrophobicContact CZ-CG 4.37Å; F33-R88 PolarHBondContact N-O 2.81Å; F33-R88 WeakPolarHBondContact O-CB 3.44Å; F33-R88 PolarHBondContact O-N 2.89Å; E46-R88 VanDerWaalsContact CD-NH1 3.32Å; E46-R88 IonicContact OE1-CZ 3.69Å; E46-R88 IonicContact OE1-NH1 3.04Å; E46-R88 PolarHBondContact OE1-NH1 2.85Å; E46-R88 IonicContact OE1-NH2 3.95Å; E46-R88 IonicContact OE2-NH1 2.65Å; E46-R88 PolarHBondContact OE2-NH1 2.58Å; R88-Y97 HydrophobicContact CB-CD2 4.21Å; R88-Y97 HydrophobicContact CG-CD2 3.87Å; R88-Y97 HydrophobicContact CG-CE2 4.3Å; R88-A98 CarbonylContact C-O 3.48Å; R88-A98 WeakPolarHBondContact CA-O 3.25Å; R88-A98 WeakPolarHBondContact CB-O 3.36Å
89K93.6Very high93.4Very high49 Ų4957 Ų5721%0.21330%0.301CS..EExtended strand (participates in β ladder)trans-95.2132168177.6166.9177.2171.70109.6V27 N29 L32 Y97 A98 L100V27-K89 HydrophobicContact CG1-CD 4.25Å; N29-K89 PolarHBondContact O-NZ 2.65Å; L32-K89 HydrophobicContact CD2-CB 3.57Å; L32-K89 HydrophobicContact CD2-CD 4.46Å; L32-K89 HydrophobicContact CD2-CG 3.92Å; K89-Y97 CarbonylContact O-C 3.58Å; K89-Y97 WeakPolarHBondContact O-CA 3.29Å; K89-Y97 WeakPolarHBondContact O-CB 3.41Å; K89-A98 PolarHBondContact N-O 3.31Å; K89-A98 PolarHBondContact O-N 2.86Å; K89-L100 HydrophobicContact CB-CD1 4.18Å; K89-L100 HydrophobicContact CB-CD2 3.96Å; K89-L100 HydrophobicContact CB-CG 4.09Å
90E94.8Very high93.2Very high43 Ų4356.8 Ų56.820%0.20130%0.3CS..EExtended strand (participates in β ladder)trans-67.7142.3173.3-170175.5113.800111.9V31 R49 G94V31-E90 HydrophobicContact CB-CB 4.21Å; V31-E90 PolarHBondContact O-N 2.99Å; R49-E90 WeakPolarHBondContact CD-OE2 3.33Å; R49-E90 IonicContact NE-OE2 2.96Å; R49-E90 PolarHBondContact NE-OE2 2.79Å; E90-G94 VanDerWaalsContact CD-CA 3.43Å; E90-G94 PolarHBondContact OE1-N 3.12Å
91L92.6Very high93.1Very high75 Ų7552.5 Ų52.539%0.39327%0.272SS..EExtended strand (participates in β ladder)trans-133151.7174.7-63.5177.7000110.5G93 A96 A98L91-G93 VanDerWaalsContact C-N 3.26Å; L91-G93 PolarHBondContact O-N 2.94Å; L91-A96 HydrophobicContact CB-CB 3.96Å; L91-A96 PolarHBondContact N-O 2.89Å; L91-A96 CarbonylContact O-C 3.57Å; L91-A96 PolarHBondContact O-N 2.72Å; L91-A98 HydrophobicContact CD1-CB 3.99Å; L91-A98 HydrophobicContact CG-CB 4.49Å
92K89.6Confident93.1Very high179 Ų17953.1 Ų53.178%0.77827%0.274SS*.THydrogen-bonded Turntrans56.132174-54.1-176.7179.3-177.40114.7K95 A96K92-K95 HydrophobicContact CB-CB 4.36Å; K92-A96 HydrophobicContact CB-CB 4.46Å; K92-A96 HydrophobicContact CD-CB 4.3Å; K92-A96 HydrophobicContact CG-CB 4.42Å
93G84.9Confident93Very high62 Ų6250.4 Ų50.464%0.63926%0.261SS*.THydrogen-bonded Turntrans61.972.8179.500000112.1L91 K95L91-G93 VanDerWaalsContact C-N 3.26Å; L91-G93 PolarHBondContact O-N 2.94Å; G93-K95 PolarHBondContact O-N 3.03Å
94G88.1Confident93Very high34 Ų3452.5 Ų52.535%0.35127%0.272SS..THydrogen-bonded Turntrans71.5-25.3-177.600000116.5E90 A96E90-G94 VanDerWaalsContact CD-CA 3.43Å; E90-G94 PolarHBondContact OE1-N 3.12Å; G94-A96 VanDerWaalsContact C-N 3.31Å; G94-A96 PolarHBondContact O-N 2.84Å
95K90.1Very high92.9Very high190 Ų19050.5 Ų50.583%0.82627%0.265SS*.THydrogen-bonded Turntrans-73.1-14.5-169.8-64.4178.5-176.2-178.60115.1K92 G93K92-K95 HydrophobicContact CB-CB 4.36Å; G93-K95 PolarHBondContact O-N 3.03Å
96A93.8Very high92.8Very high32 Ų3251.1 Ų51.126%0.26427%0.268SS..EExtended strand (participates in β ladder)trans-147.8169.9177.100000111L91 K92 G94L91-A96 HydrophobicContact CB-CB 3.96Å; L91-A96 PolarHBondContact N-O 2.89Å; L91-A96 CarbonylContact O-C 3.57Å; L91-A96 PolarHBondContact O-N 2.72Å; K92-A96 HydrophobicContact CB-CB 4.46Å; K92-A96 HydrophobicContact CD-CB 4.3Å; K92-A96 HydrophobicContact CG-CB 4.42Å; G94-A96 VanDerWaalsContact C-N 3.31Å; G94-A96 PolarHBondContact O-N 2.84Å
97Y93.8Very high92.8Very high111 Ų11150.9 Ų50.944%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-147.2149.3172.563.4-90.6000111.8F33 R88 K89 K99F33-Y97 HydrophobicContact CZ-CD1 4.24Å; F33-Y97 HydrophobicContact CZ-CG 4.04Å; R88-Y97 HydrophobicContact CB-CD2 4.21Å; R88-Y97 HydrophobicContact CG-CD2 3.87Å; R88-Y97 HydrophobicContact CG-CE2 4.3Å; K89-Y97 CarbonylContact O-C 3.58Å; K89-Y97 WeakPolarHBondContact O-CA 3.29Å; K89-Y97 WeakPolarHBondContact O-CB 3.41Å; Y97-K99 HydrophobicContact CE2-CG 4.2Å
98A91.8Very high92.8Very high35 Ų3550.9 Ų50.929%0.28927%0.266SS..EExtended strand (participates in β ladder)trans-95147.1160.500000109.3R88 K89 L91R88-A98 CarbonylContact C-O 3.48Å; R88-A98 WeakPolarHBondContact CA-O 3.25Å; R88-A98 WeakPolarHBondContact CB-O 3.36Å; K89-A98 PolarHBondContact N-O 3.31Å; K89-A98 PolarHBondContact O-N 2.86Å; L91-A98 HydrophobicContact CD1-CB 3.99Å; L91-A98 HydrophobicContact CG-CB 4.49Å
99K91.8Very high92.8Very high120 Ų12050.3 Ų50.352%0.52227%0.265SS..EExtended strand (participates in β ladder)trans-86.1128.1165.9-58.6173.6-172.5167.80107.3Y97 Y125Y97-K99 HydrophobicContact CE2-CG 4.2Å; K99-Y125 HydrophobicContact CB-CD2 3.59Å; K99-Y125 HydrophobicContact CB-CE2 3.61Å; K99-Y125 HydrophobicContact CB-CG 4.43Å; K99-Y125 HydrophobicContact CD-CD1 4.34Å; K99-Y125 HydrophobicContact CD-CD2 4.06Å; K99-Y125 HydrophobicContact CD-CE1 4.27Å; K99-Y125 HydrophobicContact CD-CE2 3.98Å; K99-Y125 HydrophobicContact CD-CG 4.21Å; K99-Y125 HydrophobicContact CG-CD2 4.41Å; K99-Y125 HydrophobicContact CG-CE2 4.19Å
100L90.4Very high92.9Very high35 Ų3548.3 Ų48.318%0.18326%0.256CS..EExtended strand (participates in β ladder)trans-89.5-54.7174.8-62.3-173.5000110L32 V87 K89L32-L100 HydrophobicContact CD1-CD1 3.96Å; L32-L100 HydrophobicContact CD2-CD1 3.71Å; V87-L100 HydrophobicContact CG1-CB 4.32Å; V87-L100 HydrophobicContact CG1-CD1 4.18Å; V87-L100 PolarHBondContact O-N 2.94Å; K89-L100 HydrophobicContact CB-CD1 4.18Å; K89-L100 HydrophobicContact CB-CD2 3.96Å; K89-L100 HydrophobicContact CB-CG 4.09Å
101G92.6Very high92.9Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-170.5-172.8177.500000111.5V87 E123 Y125V87-G101 PolarHBondContact N-O 2.78Å; G101-E123 CarbonylContact C-O 3.58Å; G101-E123 WeakPolarHBondContact CA-O 3.31Å; G101-Y125 WeakPolarHBondContact O-CE2 3.46Å
102F94.4Very high92.6Very high17 Ų1745.9 Ų45.98%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-142.7165.4176.365.8-83.3000111.7R84 V85 E123 Y125R84-F102 HydrophobicContact CG-CB 3.92Å; R84-F102 HydrophobicContact CG-CD2 4.08Å; R84-F102 HydrophobicContact CG-CG 4.31Å; R84-F102 VanDerWaalsContact NH1-CD2 3.35Å; V85-F102 CarbonylContact O-C 3.59Å; V85-F102 WeakPolarHBondContact O-CA 3.21Å; V85-F102 VanDerWaalsContact O-CB 3.28Å; V85-F102 WeakPolarHBondContact O-CB 3.48Å; F102-E123 HydrophobicContact CD1-CB 4.23Å; F102-E123 WeakPolarHBondContact CD1-O 3.43Å; F102-E123 HydrophobicContact CD2-CB 4.3Å; F102-E123 HydrophobicContact CE1-CB 3.82Å; F102-E123 HydrophobicContact CE2-CB 3.88Å; F102-E123 HydrophobicContact CE2-CG 4.41Å; F102-E123 WeakPolarHBondContact CE2-OE2 3.49Å; F102-E123 HydrophobicContact CG-CB 4.44Å; F102-E123 HydrophobicContact CZ-CB 3.62Å; F102-E123 HydrophobicContact CZ-CG 4.45Å; F102-E123 WeakPolarHBondContact CZ-OE2 3.33Å; F102-E123 PolarHBondContact N-O 2.89Å; F102-E123 WeakPolarHBondContact O-CB 3.43Å; F102-E123 PolarHBondContact O-N 3.09Å; F102-Y125 HydrophobicContact CB-CE2 4.19Å; F102-Y125 AromaticContact CD1-CD1 3.79Å; F102-Y125 HydrophobicContact CD1-CD1 3.79Å; F102-Y125 HydrophobicContact CD1-CD2 4.07Å; F102-Y125 AromaticContact CD1-CE1 3.56Å; F102-Y125 HydrophobicContact CD1-CE1 3.56Å; F102-Y125 AromaticContact CD1-CE2 3.85Å; F102-Y125 HydrophobicContact CD1-CE2 3.85Å; F102-Y125 HydrophobicContact CD1-CG 4.06Å; F102-Y125 AromaticContact CD1-CZ 3.62Å; F102-Y125 HydrophobicContact CE1-CD1 4.03Å; F102-Y125 HydrophobicContact CE1-CE1 4.16Å; F102-Y125 HydrophobicContact CE1-CG 4.37Å; F102-Y125 HydrophobicContact CG-CE1 4.26Å; F102-Y125 HydrophobicContact CG-CE2 4.49Å
103A94.8Very high92.5Very high2 Ų240.2 Ų40.22%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-133.8132.8165.800000108.9R84 V85 C120 L137R84-A103 WeakPolarHBondContact CA-O 3.35Å; V85-A103 PolarHBondContact N-O 2.85Å; V85-A103 PolarHBondContact O-N 2.88Å; A103-C120 HydrophobicContact CB-CB 4.06Å; A103-C120 VanDerWaalsContact CB-SG 3.55Å; A103-L137 HydrophobicContact CB-CD2 4.09Å
104D95Very high92.8Very high43 Ų4339.1 Ų39.123%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-100.9125.2175.4-86.49.3000110.4M82 R84M82-D104 HydrophobicContact CE-CB 3.81Å; R84-D104 WeakPolarHBondContact CA-OD1 3.28Å; R84-D104 WeakPolarHBondContact CB-OD1 3.11Å; R84-D104 WeakPolarHBondContact CD-OD1 3.05Å; R84-D104 WeakPolarHBondContact CG-OD1 3.46Å; R84-D104 IonicContact CZ-OD1 2.67Å; R84-D104 IonicContact CZ-OD2 3.4Å; R84-D104 IonicContact NE-OD1 2.86Å; R84-D104 PolarHBondContact NE-OD1 2.96Å; R84-D104 IonicContact NE-OD2 3.38Å; R84-D104 PolarHBondContact NE-OD2 2.85Å; R84-D104 IonicContact NH2-OD1 3.91Å; R84-D104 PolarHBondContact NH2-OD1 2.85Å; R84-D104 IonicContact NH2-OD2 2.68Å; R84-D104 PolarHBondContact NH2-OD2 2.9Å
105L95.2Very high93Very high4 Ų443.8 Ų43.82%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-119.4118.4-176.4-66.4136.5000108.7F17 C83 V85 L107 R118 V139 I141F17-L105 HydrophobicContact CE2-CD1 4.15Å; F17-L105 HydrophobicContact CZ-CD1 4.08Å; C83-L105 PolarHBondContact N-O 2.89Å; C83-L105 PolarHBondContact O-N 2.96Å; V85-L105 HydrophobicContact CG2-CD1 3.94Å; L105-L107 PolarHBondContact O-N 3.01Å; L105-R118 HydrophobicContact CD2-CB 4.29Å; L105-R118 HydrophobicContact CD2-CG 3.79Å; L105-V139 HydrophobicContact CD1-CG2 4.15Å; L105-V139 HydrophobicContact CD2-CG2 4.04Å; L105-I141 HydrophobicContact CB-CD1 4.47Å; L105-I141 HydrophobicContact CD2-CD1 4.18Å
106N95.8Very high93.2Very high12 Ų1236.8 Ų36.86%0.06422%0.223CC..EExtended strand (participates in β ladder)trans-76.6103.1175.1-17912.2000109.9P80 C81 M82 A108 E109 F110 P155P80-N106 VanDerWaalsContact CA-OD1 3.32Å; P80-N106 WeakPolarHBondContact CA-OD1 3.44Å; C81-N106 PolarHBondContact N-OD1 2.86Å; M82-N106 HydrophobicContact CE-CB 4.04Å; M82-N106 HydrophobicContact SD-CB 3.62Å; N106-A108 PolarHBondContact O-N 2.79Å; N106-A108 VanDerWaalsContact O-N 3.16Å; N106-A108 WeakPolarHBondContact OD1-CB 3.48Å; N106-A108 PolarHBondContact OD1-N 3.22Å; N106-E109 HydrophobicContact CB-CG 4.06Å; N106-E109 WeakPolarHBondContact O-CB 3.45Å; N106-E109 PolarHBondContact O-N 3.31Å; N106-E109 VanDerWaalsContact O-N 3.12Å; N106-F110 WeakPolarHBondContact O-CD2 3.18Å; N106-F110 WeakPolarHBondContact O-CE2 3.46Å; N106-P155 WeakPolarHBondContact ND2-CG 3.34Å
107L95.6Very high93.2Very high0 Ų038.6 Ų38.60%023%0.23CC..G310 helixtrans-63.4-21.7-177.9-62.1-175.7000113.1V15 L38 F65 M69 C81 C83 L105 E109 F110 I141V15-L107 HydrophobicContact CG1-CD1 4.22Å; V15-L107 HydrophobicContact CG1-CD2 4.3Å; V15-L107 HydrophobicContact CG2-CD1 4.22Å; L38-L107 HydrophobicContact CD2-CD1 3.54Å; F65-L107 HydrophobicContact CE2-CD1 4Å; F65-L107 HydrophobicContact CZ-CD1 4.16Å; M69-L107 HydrophobicContact CE-CB 3.77Å; C81-L107 PolarHBondContact O-N 2.87Å; C83-L107 HydrophobicContact CB-CD1 3.85Å; C83-L107 HydrophobicContact CB-CD2 3.88Å; C83-L107 HydrophobicContact CB-CG 3.75Å; L105-L107 PolarHBondContact O-N 3.01Å; L107-E109 VanDerWaalsContact C-N 3.27Å; L107-E109 PolarHBondContact O-N 2.81Å; L107-F110 PolarHBondContact O-N 2.9Å; L107-I141 HydrophobicContact CD2-CD1 4.25Å; L107-I141 HydrophobicContact CD2-CG2 4.27Å
108A95.4Very high93.3Very high0 Ų035 Ų350%022%0.216CC..G310 helixtrans-67.6-24.4176.700000113M69 L78 N106 F110 A111 T154 P155M69-A108 HydrophobicContact SD-CB 4.08Å; L78-A108 HydrophobicContact CB-CB 3.91Å; L78-A108 HydrophobicContact CD1-CB 4.36Å; N106-A108 PolarHBondContact O-N 2.79Å; N106-A108 VanDerWaalsContact O-N 3.16Å; N106-A108 WeakPolarHBondContact OD1-CB 3.48Å; N106-A108 PolarHBondContact OD1-N 3.22Å; A108-F110 PolarHBondContact O-N 2.89Å; A108-A111 PolarHBondContact O-N 3.15Å; A108-T154 WeakPolarHBondContact O-CG2 3.36Å; A108-P155 HydrophobicContact CB-CG 3.95Å; A108-P155 WeakPolarHBondContact O-CD 3.37Å
109E95.1Very high93.4Very high14 Ų1440.1 Ų40.17%0.06523%0.228CC..G310 helixtrans-61.8-33.3174.4-67.1178.1-15100112.2N106 L107 R118 P155 S157 T158N106-E109 HydrophobicContact CB-CG 4.06Å; N106-E109 WeakPolarHBondContact O-CB 3.45Å; N106-E109 PolarHBondContact O-N 3.31Å; N106-E109 VanDerWaalsContact O-N 3.12Å; L107-E109 VanDerWaalsContact C-N 3.27Å; L107-E109 PolarHBondContact O-N 2.81Å; E109-R118 IonicContact OE2-CZ 3.67Å; E109-R118 IonicContact OE2-NH1 2.66Å; E109-R118 PolarHBondContact OE2-NH1 3.12Å; E109-P155 HydrophobicContact CG-CG 4.23Å; E109-S157 VanDerWaalsContact OE2-CA 3.24Å; E109-S157 WeakPolarHBondContact OE2-CA 3.4Å; E109-S157 WeakPolarHBondContact OE2-CB 3.47Å; E109-S157 PolarHBondContact OE2-OG 2.67Å; E109-T158 VanDerWaalsContact CD-N 3.29Å; E109-T158 WeakPolarHBondContact OE1-CB 3.22Å; E109-T158 VanDerWaalsContact OE1-CG2 3.28Å; E109-T158 WeakPolarHBondContact OE1-CG2 3.42Å; E109-T158 PolarHBondContact OE1-N 3.19Å; E109-T158 PolarHBondContact OE1-OG1 2.85Å; E109-T158 PolarHBondContact OE2-N 2.81Å; E109-T158 PolarHBondContact OE2-OG1 2.85Å
110F94.9Very high93.5Very high6 Ų635.6 Ų35.63%0.02621%0.211CC..G310 helixtrans-954.9-172.6-51.2-82000113.1N106 L107 A108 G112 S113 T116 R118 I141 T143N106-F110 WeakPolarHBondContact O-CD2 3.18Å; N106-F110 WeakPolarHBondContact O-CE2 3.46Å; L107-F110 PolarHBondContact O-N 2.9Å; A108-F110 PolarHBondContact O-N 2.89Å; F110-G112 PolarHBondContact O-N 2.74Å; F110-S113 VanDerWaalsContact CA-OG 3.31Å; F110-S113 WeakPolarHBondContact CA-OG 3.39Å; F110-S113 PolarHBondContact O-N 2.98Å; F110-S113 PolarHBondContact O-OG 2.83Å; F110-S113 VanDerWaalsContact O-OG 3.09Å; F110-T116 HydrophobicContact CD1-CG2 3.94Å; F110-T116 HydrophobicContact CE1-CG2 3.86Å; F110-R118 HydrophobicContact CE1-CB 4.43Å; F110-R118 HydrophobicContact CZ-CB 4.26Å; F110-R118 HydrophobicContact CZ-CG 4.24Å; F110-I141 HydrophobicContact CB-CG2 4.02Å; F110-I141 HydrophobicContact CD1-CB 4.45Å; F110-I141 HydrophobicContact CD2-CD1 3.99Å; F110-I141 HydrophobicContact CD2-CG2 4.13Å; F110-I141 HydrophobicContact CE1-CD1 4.46Å; F110-I141 HydrophobicContact CE2-CD1 3.67Å; F110-I141 HydrophobicContact CG-CB 4.29Å; F110-I141 HydrophobicContact CG-CG2 4.02Å; F110-I141 HydrophobicContact CZ-CD1 3.92Å; F110-T143 HydrophobicContact CB-CG2 3.98Å; F110-T143 WeakPolarHBondContact O-CG2 3.39Å; F110-T143 PolarHBondContact O-OG1 3.08Å
111A94.4Very high93.7Very high6 Ų638.9 Ų38.95%0.0523%0.228CC..THydrogen-bonded Turntrans-68.2106-176.700000110.7F13 L78 A108 T143 F152 T154F13-A111 HydrophobicContact CE1-CB 3.99Å; F13-A111 HydrophobicContact CZ-CB 3.92Å; L78-A111 HydrophobicContact CD1-CB 3.42Å; L78-A111 VanDerWaalsContact CD1-CB 3.42Å; A108-A111 PolarHBondContact O-N 3.15Å; A111-T143 WeakPolarHBondContact CA-OG1 3.45Å; A111-F152 HydrophobicContact CB-CE2 3.64Å; A111-F152 HydrophobicContact CB-CZ 4.08Å; A111-F152 WeakPolarHBondContact O-CE2 3.41Å; A111-T154 HydrophobicContact CB-CG2 4.1Å; A111-T154 VanDerWaalsContact O-CG2 3.28Å; A111-T154 WeakPolarHBondContact O-CG2 3.28Å
112G87.9Confident93.6Very high62 Ų6239.2 Ų39.264%0.63923%0.23SC*.THydrogen-bonded Turntrans85.64-176.600000115.9F110 G114 T143F110-G112 PolarHBondContact O-N 2.74Å; G112-G114 VanDerWaalsContact C-N 3.26Å; G112-G114 PolarHBondContact O-N 2.94Å; G112-T143 PolarHBondContact N-OG1 2.95Å
113S87.2Confident93.4Very high60 Ų6043.3 Ų43.342%0.4225%0.249SC..SBendtrans-83.18.8179.7680000114.9F110 T116F110-S113 VanDerWaalsContact CA-OG 3.31Å; F110-S113 WeakPolarHBondContact CA-OG 3.39Å; F110-S113 PolarHBondContact O-N 2.98Å; F110-S113 PolarHBondContact O-OG 2.83Å; F110-S113 VanDerWaalsContact O-OG 3.09Å; S113-T116 PolarHBondContact OG-OG1 3.28Å
114G90Very high93Very high39 Ų3944.3 Ų44.340%0.40226%0.26SS..  trans68.1-143.3-170.600000111.9G112 G142G112-G114 VanDerWaalsContact C-N 3.26Å; G112-G114 PolarHBondContact O-N 2.94Å; G114-G142 WeakPolarHBondContact O-CA 3.45Å
115N92.1Very high92.4Very high131 Ų13146.4 Ų46.470%0.70127%0.265SS*.EExtended strand (participates in β ladder)trans-93.4108.4176-71.6-2.8000110.1I140 G142N115-I140 HydrophobicContact CB-CG2 4.42Å; N115-G142 VanDerWaalsContact OD1-CA 3.28Å; N115-G142 WeakPolarHBondContact OD1-CA 3.41Å
116T94.3Very high91.3Very high44 Ų4449.7 Ų49.727%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-106.6128.8-178.7-51.80000111F110 S113 I140 I141F110-T116 HydrophobicContact CD1-CG2 3.94Å; F110-T116 HydrophobicContact CE1-CG2 3.86Å; S113-T116 PolarHBondContact OG-OG1 3.28Å; T116-I140 WeakPolarHBondContact O-CA 3.24Å; T116-I141 PolarHBondContact N-O 2.98Å; T116-I141 PolarHBondContact O-N 2.81Å
117T95.6Very high89.6Confident70 Ų7055.3 Ų55.343%0.42932%0.317SS..EExtended strand (participates in β ladder)trans-83.4128169.6-61.70000109.9K138 V139T117-K138 HydrophobicContact CG2-CG 4.18Å; T117-V139 WeakPolarHBondContact CA-O 3.2Å
118R94.1Very high88Confident35 Ų3564.1 Ų64.113%0.13236%0.356CS..EExtended strand (participates in β ladder)trans-120.5139.9174.8-170.167.5172.5-98-13.1109.9L105 E109 F110 V139 S157 T158L105-R118 HydrophobicContact CD2-CB 4.29Å; L105-R118 HydrophobicContact CD2-CG 3.79Å; E109-R118 IonicContact OE2-CZ 3.67Å; E109-R118 IonicContact OE2-NH1 2.66Å; E109-R118 PolarHBondContact OE2-NH1 3.12Å; F110-R118 HydrophobicContact CE1-CB 4.43Å; F110-R118 HydrophobicContact CZ-CB 4.26Å; F110-R118 HydrophobicContact CZ-CG 4.24Å; R118-V139 HydrophobicContact CB-CG2 4.07Å; R118-V139 PolarHBondContact N-O 3.29Å; R118-V139 PolarHBondContact O-N 2.84Å; R118-S157 PolarHBondContact NH1-OG 3.05Å; R118-T158 PolarHBondContact NH2-O 3.16Å; R118-T158 VanDerWaalsContact NH2-O 3.09Å; R118-T158 PolarHBondContact NH2-OG1 3.34Å
119R95.5Very high85.7Confident143 Ų14371 Ų7154%0.5439%0.393SS..EExtended strand (participates in β ladder)trans-112.7140167.7-67.9-179.2-179.792-6.1108.9I136 L137 K138R119-I136 HydrophobicContact CB-CG2 3.92Å; R119-I136 HydrophobicContact CG-CG2 4.26Å; R119-L137 CarbonylContact C-O 3.55Å; R119-L137 VanDerWaalsContact CA-O 3.3Å; R119-L137 WeakPolarHBondContact CA-O 3.48Å; R119-K138 HydrophobicContact CG-CB 4.4Å; R119-K138 HydrophobicContact CG-CG 4.36Å
120C93.3Very high83.8Confident25 Ų2574.2 Ų74.217%0.16941%0.413CS..EExtended strand (participates in β ladder)trans-142.4147.1178400000110.5A103 I136 L137A103-C120 HydrophobicContact CB-CB 4.06Å; A103-C120 VanDerWaalsContact CB-SG 3.55Å; C120-I136 CarbonylContact O-C 3.45Å; C120-I136 WeakPolarHBondContact O-CA 3.38Å; C120-L137 PolarHBondContact N-O 2.92Å; C120-L137 PolarHBondContact O-N 2.87Å
121L93.6Very high82.1Confident104 Ų10484.6 Ų84.655%0.54545%0.452SS..EExtended strand (participates in β ladder)trans-79157.6169.1-66.3167.7000109.5I136L121-I136 HydrophobicContact CD2-CG1 3.77Å
122L92.3Very high80.5Confident6 Ų691.4 Ų91.43%0.03148%0.483CS..EExtended strand (participates in β ladder)trans-85121.1174.3-62.9-172.8000111.8L22 V87 D133 S135 L137L22-L122 HydrophobicContact CD1-CD1 3.95Å; L22-L122 HydrophobicContact CD1-CD2 4.26Å; L22-L122 HydrophobicContact CD1-CG 4.11Å; L22-L122 HydrophobicContact CD2-CD1 4.2Å; V87-L122 HydrophobicContact CB-CD1 3.93Å; V87-L122 HydrophobicContact CG1-CD1 4.23Å; V87-L122 HydrophobicContact CG2-CD1 3.74Å; V87-L122 HydrophobicContact CG2-CD2 3.64Å; V87-L122 HydrophobicContact CG2-CG 4.37Å; L122-D133 HydrophobicContact CB-CB 4.24Å; L122-S135 PolarHBondContact N-O 2.79Å; L122-L137 HydrophobicContact CD2-CB 4.15Å; L122-L137 HydrophobicContact CD2-CD2 4.46Å
123E90.3Very high79.6Confident103 Ų10389.4 Ų89.448%0.48146%0.458SS..BIsolated β-bridgetrans-73.3132.9168.6-67.2174.4-135.900110.6G101 F102G101-E123 CarbonylContact C-O 3.58Å; G101-E123 WeakPolarHBondContact CA-O 3.31Å; F102-E123 HydrophobicContact CD1-CB 4.23Å; F102-E123 WeakPolarHBondContact CD1-O 3.43Å; F102-E123 HydrophobicContact CD2-CB 4.3Å; F102-E123 HydrophobicContact CE1-CB 3.82Å; F102-E123 HydrophobicContact CE2-CB 3.88Å; F102-E123 HydrophobicContact CE2-CG 4.41Å; F102-E123 WeakPolarHBondContact CE2-OE2 3.49Å; F102-E123 HydrophobicContact CG-CB 4.44Å; F102-E123 HydrophobicContact CZ-CB 3.62Å; F102-E123 HydrophobicContact CZ-CG 4.45Å; F102-E123 WeakPolarHBondContact CZ-OE2 3.33Å; F102-E123 PolarHBondContact N-O 2.89Å; F102-E123 WeakPolarHBondContact O-CB 3.43Å; F102-E123 PolarHBondContact O-N 3.09Å
124G86.3Confident79.6Confident23 Ų2391.6 Ų91.624%0.23747%0.465CS..PPolyproline II helixtrans-73.5142175.700000112.3
125Y81.2Confident79.7Confident88 Ų8889.8 Ų89.835%0.34545%0.446SS..SBendtrans-76.7-21.5176-78.6-79.3000114.3S86 K99 G101 F102S86-Y125 WeakPolarHBondContact CB-OH 3.41Å; S86-Y125 PolarHBondContact OG-OH 2.83Å; S86-Y125 VanDerWaalsContact OG-OH 3.1Å; K99-Y125 HydrophobicContact CB-CD2 3.59Å; K99-Y125 HydrophobicContact CB-CE2 3.61Å; K99-Y125 HydrophobicContact CB-CG 4.43Å; K99-Y125 HydrophobicContact CD-CD1 4.34Å; K99-Y125 HydrophobicContact CD-CD2 4.06Å; K99-Y125 HydrophobicContact CD-CE1 4.27Å; K99-Y125 HydrophobicContact CD-CE2 3.98Å; K99-Y125 HydrophobicContact CD-CG 4.21Å; K99-Y125 HydrophobicContact CG-CD2 4.41Å; K99-Y125 HydrophobicContact CG-CE2 4.19Å; G101-Y125 WeakPolarHBondContact O-CE2 3.46Å; F102-Y125 HydrophobicContact CB-CE2 4.19Å; F102-Y125 AromaticContact CD1-CD1 3.79Å; F102-Y125 HydrophobicContact CD1-CD1 3.79Å; F102-Y125 HydrophobicContact CD1-CD2 4.07Å; F102-Y125 AromaticContact CD1-CE1 3.56Å; F102-Y125 HydrophobicContact CD1-CE1 3.56Å; F102-Y125 AromaticContact CD1-CE2 3.85Å; F102-Y125 HydrophobicContact CD1-CE2 3.85Å; F102-Y125 HydrophobicContact CD1-CG 4.06Å; F102-Y125 AromaticContact CD1-CZ 3.62Å; F102-Y125 HydrophobicContact CE1-CD1 4.03Å; F102-Y125 HydrophobicContact CE1-CE1 4.16Å; F102-Y125 HydrophobicContact CE1-CG 4.37Å; F102-Y125 HydrophobicContact CG-CE1 4.26Å; F102-Y125 HydrophobicContact CG-CE2 4.49Å
126D71.9Confident79.9Confident72 Ų7286.2 Ų86.239%0.38543%0.426SS..  trans-128.5119.2170.7172.123.9000108.1K128 N129D126-K128 VanDerWaalsContact C-N 3.28Å; D126-K128 PolarHBondContact O-N 3.22Å; D126-K128 WeakPolarHBondContact OD1-CB 3.47Å; D126-K128 PolarHBondContact OD1-N 3.18Å; D126-N129 PolarHBondContact OD2-N 2.86Å
127T61Low80Confident130 Ų13084.1 Ų84.180%0.79841%0.413SS*.THydrogen-bonded Turntrans-80.2-7.8-179.353.70000113.3
128K60.8Low80.1Confident186 Ų18682.7 Ų82.781%0.80940%0.401SS*.THydrogen-bonded Turntrans-98.4-27.2-171.4-61.7-174178.1-176.10114.7D126D126-K128 VanDerWaalsContact C-N 3.28Å; D126-K128 PolarHBondContact O-N 3.22Å; D126-K128 WeakPolarHBondContact OD1-CB 3.47Å; D126-K128 PolarHBondContact OD1-N 3.18Å
129N48.6Very low80.3Confident144 Ų14481 Ų8177%0.7740%0.395SS*.THydrogen-bonded Turntrans-145.321.3-172.9-155.718000115.1D126D126-N129 PolarHBondContact OD2-N 2.86Å
130T54.9Low80.3Confident82 Ų8276.2 Ų76.250%0.50338%0.379SS..SBendtrans-128.2127.2170.8-64.10000110.1Q132T130-Q132 PolarHBondContact O-N 2.89Å
131R58.5Low80.5Confident224 Ų22475 Ų7585%0.84537%0.371SS*.  trans-56.6126.3172.3-174.4-177.9-171.4-176.13.7108.1D133R131-D133 PolarHBondContact O-N 2.85Å
132Q62Low80.6Confident149 Ų14970.1 Ų70.170%0.69635%0.346SS*.  trans-52.9125.2176.4-71.7177-16.800109.1T130 N134T130-Q132 PolarHBondContact O-N 2.89Å; Q132-N134 PolarHBondContact O-N 2.94Å; Q132-N134 VanDerWaalsContact O-N 3.12Å
133D69.1Low80.8Confident19 Ų1970.7 Ų70.710%0.10235%0.35CS..EExtended strand (participates in β ladder)trans-83.895-172.9-168.7-10.7000108.5P26 L122 R131 S135P26-D133 WeakPolarHBondContact CD-OD1 3.41Å; L122-D133 HydrophobicContact CB-CB 4.24Å; R131-D133 PolarHBondContact O-N 2.85Å; D133-S135 VanDerWaalsContact CG-OG 3.31Å; D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 VanDerWaalsContact OD1-CB 3.25Å; D133-S135 WeakPolarHBondContact OD1-CB 3.05Å; D133-S135 PolarHBondContact OD1-N 2.88Å; D133-S135 VanDerWaalsContact OD1-N 3.12Å; D133-S135 PolarHBondContact OD1-OG 2.93Å
134N87.1Confident81Confident107 Ų10770.3 Ų70.357%0.57235%0.348SS*.EExtended strand (participates in β ladder)trans-65.412.3177.4-69-10.1000113.6Q132 I136Q132-N134 PolarHBondContact O-N 2.94Å; Q132-N134 VanDerWaalsContact O-N 3.12Å; N134-I136 PolarHBondContact O-N 2.91Å
135S92.3Very high81.5Confident0 Ų071.7 Ų71.70%035%0.35CS..EExtended strand (participates in β ladder)trans-54.8129164.2-62.70000111S23 V25 L122 D133S23-S135 CarbonylContact O-C 3.57Å; S23-S135 WeakPolarHBondContact O-CA 3.39Å; S23-S135 WeakPolarHBondContact O-CB 3.03Å; V25-S135 WeakPolarHBondContact CA-OG 3.19Å; L122-S135 PolarHBondContact N-O 2.79Å; D133-S135 VanDerWaalsContact CG-OG 3.31Å; D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 VanDerWaalsContact OD1-CB 3.25Å; D133-S135 WeakPolarHBondContact OD1-CB 3.05Å; D133-S135 PolarHBondContact OD1-N 2.88Å; D133-S135 VanDerWaalsContact OD1-N 3.12Å; D133-S135 PolarHBondContact OD1-OG 2.93Å
136I95.3Very high82.2Confident56 Ų5671.6 Ų71.629%0.28735%0.353SS..EExtended strand (participates in β ladder)trans-98.9112.8178.1-59.3166000108.2S23 R119 C120 L121 N134S23-I136 PolarHBondContact N-O 3.16Å; S23-I136 PolarHBondContact O-N 3.04Å; S23-I136 PolarHBondContact OG-O 3.11Å; R119-I136 HydrophobicContact CB-CG2 3.92Å; R119-I136 HydrophobicContact CG-CG2 4.26Å; C120-I136 CarbonylContact O-C 3.45Å; C120-I136 WeakPolarHBondContact O-CA 3.38Å; L121-I136 HydrophobicContact CD2-CG1 3.77Å; N134-I136 PolarHBondContact O-N 2.91Å
137L96.3Very high83.3Confident0 Ų071.2 Ų71.20%036%0.357CS..EExtended strand (participates in β ladder)trans-82.9130.5172.2-178.668.7000109.4L19 L22 W59 V85 A103 R119 C120 L122 V139L19-L137 HydrophobicContact CD1-CD1 3.85Å; L22-L137 HydrophobicContact CB-CD1 4.44Å; L22-L137 HydrophobicContact CD1-CB 3.79Å; L22-L137 HydrophobicContact CD1-CD1 4.08Å; W59-L137 HydrophobicContact CZ3-CD1 4.21Å; V85-L137 HydrophobicContact CB-CD2 3.82Å; V85-L137 HydrophobicContact CG1-CD2 3.76Å; V85-L137 HydrophobicContact CG2-CD2 4.2Å; A103-L137 HydrophobicContact CB-CD2 4.09Å; R119-L137 CarbonylContact C-O 3.55Å; R119-L137 VanDerWaalsContact CA-O 3.3Å; R119-L137 WeakPolarHBondContact CA-O 3.48Å; C120-L137 PolarHBondContact N-O 2.92Å; C120-L137 PolarHBondContact O-N 2.87Å; L122-L137 HydrophobicContact CD2-CB 4.15Å; L122-L137 HydrophobicContact CD2-CD2 4.46Å; L137-V139 HydrophobicContact CD2-CG1 4.26Å; L137-V139 HydrophobicContact CG-CG1 4.14Å
138K97.7Very high84.8Confident41 Ų4167 Ų6718%0.17834%0.338CS..EExtended strand (participates in β ladder)trans-113.3126.3175.5-178.2-171.5170.6-157.20109.6D20 E21 T117 R119D20-K138 PolarHBondContact N-O 2.85Å; D20-K138 WeakPolarHBondContact OD2-CD 3.43Å; D20-K138 WeakPolarHBondContact OD2-CE 3.22Å; D20-K138 IonicContact OD2-NZ 2.76Å; D20-K138 PolarHBondContact OD2-NZ 2.75Å; E21-K138 HydrophobicContact CG-CB 4.08Å; E21-K138 HydrophobicContact CG-CD 4.08Å; E21-K138 PolarHBondContact O-N 3.44Å; E21-K138 IonicContact OE1-NZ 2.78Å; T117-K138 HydrophobicContact CG2-CG 4.18Å; R119-K138 HydrophobicContact CG-CB 4.4Å; R119-K138 HydrophobicContact CG-CG 4.36Å
139V97.4Very high86.3Confident0 Ų061.2 Ų61.20%032%0.316CS..EExtended strand (participates in β ladder)trans-131.8154.7176.9-60.20000110.4F17 E18 L19 L105 T117 R118 L137 I141F17-V139 HydrophobicContact CE1-CB 4.23Å; F17-V139 HydrophobicContact CE1-CG1 3.92Å; F17-V139 HydrophobicContact CZ-CB 4Å; F17-V139 HydrophobicContact CZ-CG1 3.77Å; F17-V139 HydrophobicContact CZ-CG2 4.33Å; E18-V139 CarbonylContact O-C 3.56Å; E18-V139 VanDerWaalsContact O-CA 3.23Å; E18-V139 WeakPolarHBondContact O-CA 3.32Å; E18-V139 WeakPolarHBondContact O-CB 3.44Å; L19-V139 HydrophobicContact CD1-CG1 4.34Å; L105-V139 HydrophobicContact CD1-CG2 4.15Å; L105-V139 HydrophobicContact CD2-CG2 4.04Å; T117-V139 WeakPolarHBondContact CA-O 3.2Å; R118-V139 HydrophobicContact CB-CG2 4.07Å; R118-V139 PolarHBondContact N-O 3.29Å; R118-V139 PolarHBondContact O-N 2.84Å; L137-V139 HydrophobicContact CD2-CG1 4.26Å; L137-V139 HydrophobicContact CG-CG1 4.14Å; V139-I141 HydrophobicContact CG2-CD1 4.14Å; V139-I141 HydrophobicContact CG2-CG1 4.25Å
140I97.2Very high88.3Confident41 Ų4158.9 Ų58.921%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-120.3129.7171.2-44.9177.9000107.4E18 N115 T116E18-I140 HydrophobicContact CB-CB 4.09Å; E18-I140 PolarHBondContact N-O 3.27Å; E18-I140 PolarHBondContact O-N 3.39Å; N115-I140 HydrophobicContact CB-CG2 4.42Å; T116-I140 WeakPolarHBondContact O-CA 3.24Å
141I97.1Very high90Very high0 Ų059.1 Ų59.10%031%0.313CS..EExtended strand (participates in β ladder)trans-124.7114.6-174.8-57.6172.5000108.4V15 F17 L105 L107 F110 T116 V139 T143V15-I141 HydrophobicContact CG1-CG2 4.23Å; F17-I141 HydrophobicContact CD2-CD1 4.19Å; F17-I141 HydrophobicContact CD2-CG1 3.81Å; F17-I141 HydrophobicContact CE2-CD1 3.88Å; F17-I141 HydrophobicContact CE2-CG1 3.9Å; L105-I141 HydrophobicContact CB-CD1 4.47Å; L105-I141 HydrophobicContact CD2-CD1 4.18Å; L107-I141 HydrophobicContact CD2-CD1 4.25Å; L107-I141 HydrophobicContact CD2-CG2 4.27Å; F110-I141 HydrophobicContact CB-CG2 4.02Å; F110-I141 HydrophobicContact CD1-CB 4.45Å; F110-I141 HydrophobicContact CD2-CD1 3.99Å; F110-I141 HydrophobicContact CD2-CG2 4.13Å; F110-I141 HydrophobicContact CE1-CD1 4.46Å; F110-I141 HydrophobicContact CE2-CD1 3.67Å; F110-I141 HydrophobicContact CG-CB 4.29Å; F110-I141 HydrophobicContact CG-CG2 4.02Å; F110-I141 HydrophobicContact CZ-CD1 3.92Å; T116-I141 PolarHBondContact N-O 2.98Å; T116-I141 PolarHBondContact O-N 2.81Å; V139-I141 HydrophobicContact CG2-CD1 4.14Å; V139-I141 HydrophobicContact CG2-CG1 4.25Å; I141-T143 HydrophobicContact CG2-CG2 4.28Å
142G96Very high91.6Very high2 Ų250.6 Ų50.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-99.8143.8165.400000111.1V15 D16 G114 N115V15-G142 WeakPolarHBondContact CA-O 3.43Å; D16-G142 PolarHBondContact N-O 2.77Å; D16-G142 PolarHBondContact O-N 3.43Å; G114-G142 WeakPolarHBondContact O-CA 3.45Å; N115-G142 VanDerWaalsContact OD1-CA 3.28Å; N115-G142 WeakPolarHBondContact OD1-CA 3.41Å
143T95.4Very high93.2Very high17 Ų1749.7 Ų49.710%0.10428%0.276CS..EExtended strand (participates in β ladder)trans-130.8143.617173.70000111.7R14 V15 F110 A111 G112 I141R14-T143 WeakPolarHBondContact O-CA 3.45Å; V15-T143 HydrophobicContact CG2-CG2 4.46Å; F110-T143 HydrophobicContact CB-CG2 3.98Å; F110-T143 WeakPolarHBondContact O-CG2 3.39Å; F110-T143 PolarHBondContact O-OG1 3.08Å; A111-T143 WeakPolarHBondContact CA-OG1 3.45Å; G112-T143 PolarHBondContact N-OG1 2.95Å; I141-T143 HydrophobicContact CG2-CG2 4.28Å
144Q95.6Very high94.3Very high96 Ų9651.8 Ų51.845%0.44929%0.289SS..EExtended strand (participates in β ladder)trans-135.6127.3173.1-164.6-178.622.100110.1F13 R14 M146F13-Q144 CarbonylContact C-O 3.53Å; F13-Q144 VanDerWaalsContact CA-O 3.22Å; F13-Q144 WeakPolarHBondContact CA-O 3.27Å; R14-Q144 VanDerWaalsContact CZ-OE1 3.3Å; R14-Q144 PolarHBondContact N-O 3.34Å; R14-Q144 PolarHBondContact O-N 3.19Å; Q144-M146 HydrophobicContact CB-CE 4.1Å; Q144-M146 HydrophobicContact CG-CE 3.73Å; Q144-M146 PolarHBondContact O-N 2.64Å
145L96.2Very high94.5Very high51 Ų5147.4 Ų47.427%0.26727%0.267SS..EExtended strand (participates in β ladder)trans-65.7127.3174.1-17766.3000109.7F11 F13 P150 F152F11-L145 HydrophobicContact CB-CD1 4.21Å; F11-L145 HydrophobicContact CD1-CD1 4.45Å; F13-L145 HydrophobicContact CD1-CB 4.11Å; F13-L145 HydrophobicContact CD1-CD1 4.15Å; F13-L145 HydrophobicContact CE1-CB 3.94Å; F13-L145 HydrophobicContact CE1-CD1 3.73Å; F13-L145 HydrophobicContact CE1-CG 4.42Å; F13-L145 HydrophobicContact CE2-CD1 4.4Å; F13-L145 HydrophobicContact CZ-CD1 3.87Å; L145-P150 HydrophobicContact CD2-CB 4.36Å; L145-P150 HydrophobicContact CD2-CG 4.16Å; L145-F152 HydrophobicContact CD2-CE1 4.43Å
146M96.4Very high94.3Very high86 Ų8653 Ų5342%0.42430%0.304SS..EExtended strand (participates in β ladder)trans-110.7-29.7-179.3-60.1-80.987.300112.6K12 R14 Q144K12-M146 HydrophobicContact CD-CB 4.49Å; K12-M146 HydrophobicContact CG-CB 4.47Å; K12-M146 WeakPolarHBondContact O-CA 3.4Å; K12-M146 WeakPolarHBondContact O-CB 3.37Å; K12-M146 PolarHBondContact O-N 3.29Å; R14-M146 HydrophobicContact CB-CG 3.89Å; R14-M146 HydrophobicContact CB-SD 3.94Å; Q144-M146 HydrophobicContact CB-CE 4.1Å; Q144-M146 HydrophobicContact CG-CE 3.73Å; Q144-M146 PolarHBondContact O-N 2.64Å
147S94.9Very high93.6Very high65 Ų6553.7 Ų53.746%0.45531%0.313SS..EExtended strand (participates in β ladder)trans-161.2139.4170.766.90000110.8F11 K12F11-S147 CarbonylContact C-O 3.51Å; F11-S147 WeakPolarHBondContact CA-O 3.48Å; K12-S147 VanDerWaalsContact CB-OG 3.22Å; K12-S147 WeakPolarHBondContact CB-OG 3.01Å; K12-S147 PolarHBondContact N-O 3.09Å; K12-S147 PolarHBondContact O-N 3.19Å; K12-S147 VanDerWaalsContact O-N 3.16Å
148G92.9Very high92.6Very high40 Ų4058.1 Ų58.141%0.41234%0.34SS..SBendtrans134.9172.4-177.700000110.4
149D90.9Very high91Very high65 Ų6558 Ų5835%0.34835%0.347SS..  trans-72.6127.8173.2176.65.3000109.8K9 F11 C151K9-D149 IonicContact NZ-OD2 2.66Å; K9-D149 PolarHBondContact NZ-OD2 2.81Å; F11-D149 HydrophobicContact CE1-CB 4.37Å; F11-D149 WeakPolarHBondContact CE1-O 3.34Å; D149-C151 PolarHBondContact O-N 3.37Å; D149-C151 VanDerWaalsContact OD1-CB 3.23Å; D149-C151 WeakPolarHBondContact OD1-CB 3.34Å; D149-C151 PolarHBondContact OD1-N 3.29Å; D149-C151 PolarHBondContact OD1-SG 3.31Å
150P90.8Very high88.8Confident96 Ų9664 Ų6462%0.62338%0.384SS*.SBendtrans-60.5-18.8172.8-24.335.5000114L145 F152L145-P150 HydrophobicContact CD2-CB 4.36Å; L145-P150 HydrophobicContact CD2-CG 4.16Å; P150-F152 VanDerWaalsContact C-N 3.31Å; P150-F152 VanDerWaalsContact O-CD1 3.32Å; P150-F152 WeakPolarHBondContact O-CD1 3.32Å; P150-F152 PolarHBondContact O-N 3.3Å
151C90.3Very high86.1Confident86 Ų8668.1 Ų68.158%0.58141%0.41SS*.  trans-77.874.6178.4-530000112.3K9 D149K9-C151 PolarHBondContact NZ-O 3.2Å; K9-C151 VanDerWaalsContact NZ-O 3.15Å; D149-C151 PolarHBondContact O-N 3.37Å; D149-C151 VanDerWaalsContact OD1-CB 3.23Å; D149-C151 WeakPolarHBondContact OD1-CB 3.34Å; D149-C151 PolarHBondContact OD1-N 3.29Å; D149-C151 PolarHBondContact OD1-SG 3.31Å
152F93.3Very high83.5Confident45 Ų4574.7 Ų74.720%0.19744%0.444CS..  trans-123.7169.9168.266.6-93.6000111.2F11 F13 G76 L78 A111 L145 P150 T154F11-F152 HydrophobicContact CD1-CD1 4.42Å; F11-F152 HydrophobicContact CE1-CB 4.04Å; F11-F152 HydrophobicContact CE1-CD1 4.35Å; F11-F152 HydrophobicContact CZ-CB 3.97Å; F13-F152 HydrophobicContact CE1-CE1 4.02Å; F13-F152 AromaticContact CE1-CZ 3.84Å; F13-F152 HydrophobicContact CE1-CZ 3.84Å; F13-F152 HydrophobicContact CZ-CD1 4.34Å; F13-F152 AromaticContact CZ-CE1 3.85Å; F13-F152 HydrophobicContact CZ-CE1 3.85Å; F13-F152 HydrophobicContact CZ-CE2 4.25Å; F13-F152 AromaticContact CZ-CZ 3.8Å; F13-F152 HydrophobicContact CZ-CZ 3.8Å; G76-F152 CarbonylContact O-C 3.59Å; G76-F152 WeakPolarHBondContact O-CA 3.41Å; L78-F152 HydrophobicContact CD1-CD2 3.5Å; L78-F152 HydrophobicContact CD1-CE2 3.81Å; L78-F152 HydrophobicContact CD1-CG 4.28Å; L78-F152 HydrophobicContact CD2-CB 4.32Å; L78-F152 HydrophobicContact CD2-CD2 4.42Å; L78-F152 HydrophobicContact CD2-CG 4.43Å; L78-F152 HydrophobicContact CG-CB 4.3Å; L78-F152 HydrophobicContact CG-CD2 3.86Å; L78-F152 HydrophobicContact CG-CG 4.31Å; A111-F152 HydrophobicContact CB-CE2 3.64Å; A111-F152 HydrophobicContact CB-CZ 4.08Å; A111-F152 WeakPolarHBondContact O-CE2 3.41Å; L145-F152 HydrophobicContact CD2-CE1 4.43Å; P150-F152 VanDerWaalsContact C-N 3.31Å; P150-F152 VanDerWaalsContact O-CD1 3.32Å; P150-F152 WeakPolarHBondContact O-CD1 3.32Å; P150-F152 PolarHBondContact O-N 3.3Å; F152-T154 HydrophobicContact CE2-CG2 4.47Å
153K94.3Very high80.2Confident131 Ų13177.5 Ų77.557%0.5747%0.473SS*.BIsolated β-bridgetrans-124144.9170.6-64.1178-176.5171.40109.8G76 V77 L78G76-K153 PolarHBondContact O-N 2.57Å; V77-K153 WeakPolarHBondContact CA-O 3.28Å; V77-K153 HydrophobicContact CG2-CB 3.97Å; V77-K153 HydrophobicContact CG2-CD 4.32Å; L78-K153 PolarHBondContact N-O 2.82Å
154T93.9Very high77.3Confident62 Ų6282.8 Ų82.838%0.3850%0.499SS..PPolyproline II helixtrans-76.6151.8169.750.90000110.6A108 A111 F152A108-T154 WeakPolarHBondContact O-CG2 3.36Å; A111-T154 HydrophobicContact CB-CG2 4.1Å; A111-T154 VanDerWaalsContact O-CG2 3.28Å; A111-T154 WeakPolarHBondContact O-CG2 3.28Å; F152-T154 HydrophobicContact CE2-CG2 4.47Å
155P91.4Very high74.2Confident16 Ų1686.8 Ų86.810%0.10452%0.518CS..PPolyproline II helixtrans-67.1157.1162.530.4-33.6000110.2V77 N106 A108 E109 S157V77-P155 HydrophobicContact CG1-CB 4.33Å; N106-P155 WeakPolarHBondContact ND2-CG 3.34Å; A108-P155 HydrophobicContact CB-CG 3.95Å; A108-P155 WeakPolarHBondContact O-CD 3.37Å; E109-P155 HydrophobicContact CG-CG 4.23Å; P155-S157 PolarHBondContact O-N 3.04Å
156P86.2Confident71.1Confident118 Ų11889.4 Ų89.477%0.76654%0.541SS*.PPolyproline II helixtrans-54.4138.3173-23.533.8000111.1T158P156-T158 PolarHBondContact O-N 2.78Å
157S81.4Confident68.2Low70 Ų7092.8 Ų92.849%0.4956%0.56SS.*PPolyproline II helixtrans-71134.6-178.8-173.30000111.4E109 R118 P155 A159E109-S157 VanDerWaalsContact OE2-CA 3.24Å; E109-S157 WeakPolarHBondContact OE2-CA 3.4Å; E109-S157 WeakPolarHBondContact OE2-CB 3.47Å; E109-S157 PolarHBondContact OE2-OG 2.67Å; R118-S157 PolarHBondContact NH1-OG 3.05Å; P155-S157 PolarHBondContact O-N 3.04Å; S157-A159 PolarHBondContact O-N 3.49Å; S157-A159 WeakPolarHBondContact OG-CB 3.18Å; S157-A159 PolarHBondContact OG-N 3.45Å
158T75Confident65.3Low92 Ų9292.8 Ų92.856%0.56457%0.571SS**  trans-77.512.8172.355.90000112.7E109 R118 P156 T160E109-T158 VanDerWaalsContact CD-N 3.29Å; E109-T158 WeakPolarHBondContact OE1-CB 3.22Å; E109-T158 VanDerWaalsContact OE1-CG2 3.28Å; E109-T158 WeakPolarHBondContact OE1-CG2 3.42Å; E109-T158 PolarHBondContact OE1-N 3.19Å; E109-T158 PolarHBondContact OE1-OG1 2.85Å; E109-T158 PolarHBondContact OE2-N 2.81Å; E109-T158 PolarHBondContact OE2-OG1 2.85Å; R118-T158 PolarHBondContact NH2-O 3.16Å; R118-T158 VanDerWaalsContact NH2-O 3.09Å; R118-T158 PolarHBondContact NH2-OG1 3.34Å; P156-T158 PolarHBondContact O-N 2.78Å; T158-T160 PolarHBondContact O-N 2.67Å
159A64Low62.5Low38 Ų3899.5 Ų99.531%0.31459%0.591SS.*  trans-70.3109.9177.400000110.5S157 V161S157-A159 PolarHBondContact O-N 3.49Å; S157-A159 WeakPolarHBondContact OG-CB 3.18Å; S157-A159 PolarHBondContact OG-N 3.45Å; A159-V161 PolarHBondContact O-N 2.92Å
160T51.3Low59.7Low127 Ų127101.8 Ų101.878%0.77961%0.612SS**  trans-59104.6155.9-49.60000107.2T158 I162T158-T160 PolarHBondContact O-N 2.67Å; T160-I162 HydrophobicContact CG2-CG1 4.28Å; T160-I162 PolarHBondContact O-N 2.92Å
161V40.8Very low56.9Low127 Ų127104.3 Ų104.377%0.7762%0.62SS**  trans-73.180.8178.4-1760000108.4A159 G163A159-V161 PolarHBondContact O-N 2.92Å; V161-G163 VanDerWaalsContact C-N 3.25Å; V161-G163 PolarHBondContact O-N 2.84Å
162I41.8Very low54.3Low139 Ų139108.3 Ų108.371%0.71363%0.634SS**  trans-68.295.1160.3-58.2176.1000105.1T160 I164T160-I162 HydrophobicContact CG2-CG1 4.28Å; T160-I162 PolarHBondContact O-N 2.92Å; I162-I164 VanDerWaalsContact C-N 3.29Å; I162-I164 PolarHBondContact O-N 3.4Å
163G28.1Very low51.4Low60 Ų60113.5 Ų113.562%0.61966%0.659SS**  trans-66.881.2-173.500000112.5V161 Q165V161-G163 VanDerWaalsContact C-N 3.25Å; V161-G163 PolarHBondContact O-N 2.84Å; G163-Q165 PolarHBondContact O-N 3.02Å; G163-Q165 VanDerWaalsContact O-N 3.16Å
164I34.9Very low48.3Very low129 Ų129114.9 Ų114.966%0.66267%0.668SS**  trans-71.1102.6157.5-55.8176.6000105.6I162 S166I162-I164 VanDerWaalsContact C-N 3.29Å; I162-I164 PolarHBondContact O-N 3.4Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.81Å
165Q28.8Very low45.5Very low180 Ų180122.3 Ų122.384%0.84169%0.689SS**  trans-63.898.8167-71.3175.4-10.500107.7G163G163-Q165 PolarHBondContact O-N 3.02Å; G163-Q165 VanDerWaalsContact O-N 3.16Å
166S31.6Very low42.7Very low106 Ų106132 Ų13274%0.74172%0.723SS**  trans-95.3113.6155.7-179.10000105.1I164 G168I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.81Å; S166-G168 PolarHBondContact O-N 3.34Å
167D36.5Very low40.1Very low157 Ų157130.1 Ų130.184%0.8473%0.726SS**  trans-56.8136175.8-64.3-55.1000110.1
168G33Very low37.7Very low65 Ų65130.4 Ų130.467%0.6774%0.74SS**  trans164.175.4-162.600000110.3S166 S170S166-G168 PolarHBondContact O-N 3.34Å; G168-S170 PolarHBondContact O-N 3.1Å
169E33.8Very low35.8Very low181 Ų181133.9 Ų133.985%0.84675%0.754SS**  trans-60.695.9-176.4-65.8177.493.800112.5L171E169-L171 PolarHBondContact O-N 3.16Å
170S32Very low34.4Very low112 Ų112138 Ų13878%0.78378%0.781SS**  trans-89.580157.663.30000108.7G168 L172G168-S170 PolarHBondContact O-N 3.1Å; S170-L172 PolarHBondContact O-N 2.79Å
171L33.2Very low33.6Very low150 Ų150141.5 Ų141.579%0.78579%0.788SS**  trans-52.9126.7175.2-92.2165.5000109.9E169 E173E169-L171 PolarHBondContact O-N 3.16Å; L171-E173 PolarHBondContact O-N 2.88Å
172L34.3Very low33.1Very low170 Ų170145.3 Ų145.389%0.8980%0.795SS**  trans-70.395.9173.9-75.3166.9000108.5S170 E174S170-L172 PolarHBondContact O-N 2.79Å; L172-E174 PolarHBondContact O-N 2.84Å
173E32.5Very low32.5Very low153 Ų153141.9 Ų141.972%0.71579%0.793SS**  trans-70.682.6173.1-163.8-172.4-158.700109.8L171 R175L171-E173 PolarHBondContact O-N 2.88Å; E173-R175 PolarHBondContact O-N 2.97Å; E173-R175 VanDerWaalsContact O-N 3.08Å; E173-R175 IonicContact OE2-NH2 3.39Å
174E30.3Very low32.6Very low161 Ų161149 Ų14975%0.75281%0.808SS**  trans-60.1108.9171.6-174.2-174.411700108.9L172 R176L172-E174 PolarHBondContact O-N 2.84Å; E174-R176 PolarHBondContact O-N 3.32Å
175R33.8Very low32.5Very low218 Ų218148.5 Ų148.582%0.82382%0.816SS**  trans-72.475.3-179-72.3-167.5172.982.614.4112E173 G177E173-R175 PolarHBondContact O-N 2.97Å; E173-R175 VanDerWaalsContact O-N 3.08Å; E173-R175 IonicContact OE2-NH2 3.39Å; R175-G177 PolarHBondContact O-N 2.86Å; R175-G177 VanDerWaalsContact O-N 3.09Å
176R34.1Very low32.5Very low219 Ų219143.9 Ų143.983%0.82682%0.816SS**  trans-72.595.7170.2-157.1175.7-152.7-80.6-0.4109.1E174 G178E174-R176 PolarHBondContact O-N 3.32Å; R176-G178 PolarHBondContact O-N 3.43Å
177G31.8Very low32.4Very low79 Ų79147.8 Ų147.881%0.81482%0.823SS**  trans-58.5132.2178.200000111.8R175R175-G177 PolarHBondContact O-N 2.86Å; R175-G177 VanDerWaalsContact O-N 3.09Å
178G30.7Very low32.2Very low76 Ų76144.6 Ų144.678%0.78481%0.812SS**  trans-144.9117.4176.400000110.7R176R176-G178 PolarHBondContact O-N 3.43Å
179D34.7Very low32.1Very low164 Ų164152.1 Ų152.188%0.87782%0.82SS**  trans-70.4132172.4-78.5-57.3000111.3
180S34.3Very low32Very low124 Ų124151 Ų15187%0.86782%0.82SS**  trans176106.7139.1-81.70000111.3
181Q34.4Very low31.9Very low201 Ų201149.2 Ų149.294%0.93982%0.82SS**  trans-96.6135.1158.8-67.8-172.5-52.300109.7
182K31.5Very low31.7Very low208 Ų208151.6 Ų151.690%0.90482%0.824SS**  159.2126.4124.6-177.6174.9-175.6-178.70113.8
183G28.5Very low31.6Very low66 Ų66149.2 Ų149.268%0.6882%0.821SS**  trans82.2147.9166.200000114.2
184F29.7Very low31.6Very low211 Ų211147.9 Ų147.993%0.92583%0.825SS**  cis-134.6166.315.8-98-95.4000113.4
185S32.3Very low31.6Very low118 Ų118146.2 Ų146.283%0.82583%0.826SS**  trans-78.5138.717149.60000112.4
186G29.5Very low31.5Very low82 Ų82143.8 Ų143.885%0.84583%0.825SS**  trans-143.7146.5170.100000110.3
187E30.3Very low31.2Very low189 Ų189137.7 Ų137.788%0.88382%0.817SS**  trans-118.8165.9-165.5-165.1175.496.900112.2
188S31.3Very low31.2Very low89 Ų89140.4 Ų140.462%0.62281%0.812SS**  trans94.5101.6160.8-61.40000120.9
189R32.3Very low31.2Very low223 Ų223143.5 Ų143.584%0.84281%0.811SS**  66.2137.3116-70.3-175.8-178.9-173.90.1123.6
190D31.1Very low31.1Very low157 Ų157143 Ų14384%0.8481%0.807SS**  trans65153.9149.8-69.2-56.4000119.6
191G30.1Very low30.9Very low76 Ų76141 Ų14178%0.78481%0.807SS**  trans156.9-4.1172.600000121.4
192K28.7Very low30.8Very low199 Ų199135.4 Ų135.487%0.86580%0.803SS**  trans20111.1163.4-174.9-177.7178.3-178.60119.2
193C32.3Very low31.1Very low121 Ų121131 Ų13182%0.81880%0.798SS**  trans-66.9150.9167.2-46.40000113.8
194P32.6Very low31.2Very low124 Ų124131.5 Ų131.581%0.80580%0.802SS**  trans-124.5172.8145.236.5-25.3000113.3
195V29.7Very low31.4Very low127 Ų127129.7 Ų129.777%0.7780%0.796SS**  trans-106.5179.5-174.6175.90000110.2
196M30.8Very low31.4Very low166 Ų166129.2 Ų129.282%0.81879%0.793SS**  trans100.9142.4169-55-53.9170.700115.2
197S27.8Very low31.8Very low92 Ų92136 Ų13664%0.64379%0.793SS**  cis-165.9179-25.1-149.90000110.6
198D31.9Very low32.2Very low135 Ų135133.5 Ų133.572%0.72279%0.791SS**  trans64.6104.9148.2-74.5-141.3000122.5
199D30.6Very low32.2Very low142 Ų142135 Ų13576%0.75980%0.801SS**  91.7156.8105.7-152.121.8000122.3
200L33.4Very low32.3Very low152 Ų152129.8 Ų129.880%0.79680%0.799SS**  trans87.2100.7151-132.675.8000121.6
201G30.5Very low32.5Very low83 Ų83132.9 Ų132.986%0.85680%0.801SS**  trans110.8122.1130.400000117.9
202G31.7Very low32.7Very low84 Ų84132.9 Ų132.987%0.86679%0.793SS**  trans169.141.517500000117.3G204G202-G204 PolarHBondContact O-N 2.81Å
203C37.2Very low33Very low116 Ų116128.8 Ų128.878%0.78479%0.79SS**  trans-74.5125.6176.4-173.80000111.6
204G31.5Very low33.5Very low76 Ų76131.9 Ų131.978%0.78479%0.792SS**  trans-143.992.7-178.400000113.4G202G202-G204 PolarHBondContact O-N 2.81Å
205H33.7Very low33.7Very low172 Ų172133 Ų13380%0.79679%0.787SS**  trans-104.6114.2175.3-69.1-60.6000112.2
206S31.8Very low34Very low108 Ų108133 Ų13376%0.75579%0.792SS**  trans-175.1148.9155.4-870000109.2
207R38Very low34.4Very low226 Ų226133.6 Ų133.685%0.85379%0.79SS**  cis-174.3136.9-15-112.5172.6179.1-150.72.6102.7
208T39.2Very low34.6Very low135 Ų135137.8 Ų137.883%0.82880%0.804SS**  trans-15.7129.8165.1510000117.8
209S31.3Very low34.9Very low121 Ų121136.1 Ų136.185%0.84680%0.803SS**  trans-116.1145.1148.960.90000109.7
210S35.3Very low35Very low114 Ų114132.7 Ų132.780%0.79780%0.802SS**  trans-130.2163.1-178.3-69.10000109.9
211Y34.9Very low35.1Very low221 Ų221135.7 Ų135.787%0.86780%0.804SS**  trans88.395.5153-146.6-99000119.6
212A33.5Very low35.3Very low76 Ų76137.4 Ų137.463%0.62880%0.803SS**  trans63161.3130.300000122.3
213S36.1Very low35.5Very low113 Ų113138.4 Ų138.479%0.7979%0.792SS**  trans67.6128.7176.1-144.80000114.2
214Q41.8Very low35.3Very low186 Ų186136.6 Ų136.687%0.86979%0.794SS**  -135.5160.454.2-58.9-159.521.800114.9
215Q37.5Very low35.5Very low148 Ų148141 Ų14169%0.69279%0.793SS**  trans-100.3142.9167.8-60.9-178.422.500109.9
216S35.6Very low35.6Very low127 Ų127138 Ų13889%0.88879%0.792SS**  trans-130.788.3157.552.80000109.7
217K39Very low35.7Very low179 Ų179143.8 Ų143.878%0.77880%0.797SS**PPolyproline II helixtrans-74.9134.4168.2-66169.4179.11600108.4
218L33Very low35.5Very low179 Ų179138.8 Ų138.894%0.93780%0.797SS**PPolyproline II helixtrans-98.2138.8161-169.662.1000109.1
219S36.9Very low35.1Very low100 Ų100138 Ų13870%0.69980%0.797SS**PPolyproline II helixtrans-93.6157.8-173.9-169.40000112.6
220G33.4Very low35.3Very low71 Ų71137.4 Ų137.473%0.73279%0.792SS**  trans-163.9106.2174.100000110.7
221Y35.4Very low35.1Very low215 Ų215140.1 Ų140.184%0.84379%0.794SS**  trans-74145.8-176.9-83.6-107.6000112.9
222S33.4Very low35.2Very low119 Ų119135 Ų13583%0.83279%0.791SS**  -156143.2128.6-167.50000110.5
223T36.3Very low35.2Very low104 Ų104138 Ų13864%0.63880%0.797SS**  trans-131.3129-179-560000109
224G32.7Very low34.9Very low79 Ų79142.5 Ų142.581%0.81480%0.802SS**  trans-153.492.3-177.400000112.1
225H36.5Very low34.5Very low167 Ų167137 Ų13777%0.77380%0.796SS**  trans-99.1128.9177.1-57.3105.3000111
226S36.8Very low34.8Very low109 Ų109139.4 Ų139.476%0.76281%0.806SS**  trans-177.9131.3137.8-89.30000114.6
227R34Very low34.8Very low231 Ų231144.8 Ų144.887%0.87281%0.807SS**  trans45.7112.2139-61.4177.8169.4-175.8-5.5118.4
228S32.6Very low35.1Very low121 Ų121146.6 Ų146.685%0.84681%0.809SS**  82109.660.1-175.20000114.5
229S31.6Very low35.3Very low119 Ų119144.2 Ų144.283%0.83280%0.798SS**  trans-147.8142.8150.450.30000109.3
230S35.4Very low35.2Very low107 Ų107147 Ų14775%0.74880%0.799SS**  trans-82.8170.9174.8-178.80000110.9
231M31.3Very low35.5Very low171 Ų171148.2 Ų148.284%0.84280%0.796SS**  -176.4134.2122.4-90.2-72.8171.700112.2
232S36.3Very low35.5Very low113 Ų113145.5 Ų145.579%0.7980%0.802SS**  trans66.3128.4155.950.30000122.4
233D32.6Very low35.5Very low140 Ų140143.4 Ų143.475%0.74980%0.799SS**  trans-87.3-175.7173.6-94.5-75.2000114.7
234F30.9Very low35.6Very low207 Ų207144.2 Ų144.291%0.90881%0.809SS**  trans80.8136.8164.8-52.7-79.5000117.3
235G33.7Very low35.9Very low71 Ų71145.3 Ų145.373%0.73281%0.81SS**  cis-176.8162.2-4.500000113.5
236H43.8Very low35.9Very low198 Ų198142.2 Ų142.292%0.91781%0.807SS**  trans-73.3141.2-179-62.3-61.9000113.5
237R34.9Very low36.1Very low240 Ų240143.8 Ų143.891%0.90681%0.813SS**  trans-153.2144.9145.1-123.1174-173.6-89.41.2113.3
238R45.2Very low36.1Very low217 Ų217135.7 Ų135.782%0.81980%0.801SS**  trans-122.9151.3164-70.4-177.6-96.3154.8-8.8108.2
239N37.9Very low36.4Very low130 Ų130138.9 Ų138.970%0.69581%0.806SS**  trans141.6134.9135.2-773.2000116.3
240H34.1Very low36.3Very low159 Ų159136.3 Ų136.374%0.73680%0.799SS**  trans49.3102.7140.6-66.6-68.3000122.9
241S40Very low36.2Very low96 Ų96136.9 Ų136.967%0.67180%0.803SS**  25.7120.9115.860.30000121.5
242V36Very low36.6Very low158 Ų158136.4 Ų136.496%0.95880%0.802SS**  -171.4155.2129.8-96.50000110.5
243G32.8Very low37.1Very low74 Ų74136.7 Ų136.776%0.76380%0.801SS**  trans142.1132166.200000115.1
244S37.8Very low37.1Very low121 Ų121137.5 Ų137.585%0.84680%0.8SS**  trans-149.7163-177.7-60.90000112.6
245A39Very low37.6Very low102 Ų102133 Ų13384%0.84379%0.792SS**  trans71.6157169.600000115.7
246S38.1Very low37.3Very low103 Ų103134.2 Ų134.272%0.7279%0.789SS**  cis-161-177.5-6.6-158.30000111
247T41Very low36.7Very low142 Ų142133.4 Ų133.487%0.87179%0.786SS**  trans71.4148.1171.481.80000117.8
248G33.7Very low36.4Very low60 Ų60130.4 Ų130.462%0.61978%0.782SS**  cis170.6156.3-12.300000113.9
249I37.9Very low35.9Very low188 Ų188130 Ų13096%0.96478%0.781SS**  trans58158.3170.871.6165.3000118.2
250G30.4Very low35.5Very low66 Ų66131 Ų13168%0.6878%0.781SS**  cis172101.6-13.800000116.8
251S32.7Very low35.3Very low118 Ų118129.4 Ų129.483%0.82579%0.788SS**  trans66.5152.1134.9-44.10000125.6
252I40Very low34.9Very low162 Ų162134.7 Ų134.783%0.83180%0.799SS**  trans82.2140157.5-51.3-173.6000117.8
253P46.5Very low35Very low119 Ų119132.7 Ų132.777%0.77379%0.789SS**  cis-127.5-177.8-18.937.4-19.4000116.2
254E32.2Very low34.9Very low157 Ų157134.8 Ų134.873%0.73479%0.791SS**  trans-89.5175.9167.9-142.3-155.9111.800111.7S256E254-S256 PolarHBondContact OE1-N 2.88Å
255P41.3Very low35.1Very low112 Ų112135.2 Ų135.273%0.72779%0.79SS**  -146.615965.140.1-21.5000117.9
256S27.7Very low34.6Very low97 Ų97135.2 Ų135.268%0.67879%0.79SS**  154.698.6117.552.10000116.7E254E254-S256 PolarHBondContact OE1-N 2.88Å
257E31Very low34.3Very low180 Ų180138.1 Ų138.184%0.84180%0.797SS**  trans60.8141.7134.6-52.2-144.6109.100124.6
258E29.8Very low34.4Very low177 Ų177137.4 Ų137.483%0.82780%0.795SS**  trans46.8113.9162.2-59.5-164.2136.300119.8
259R34.1Very low34.2Very low209 Ų209142.7 Ų142.779%0.78980%0.804SS**  -163.213659.5-139.4177.9178153.211.7116.3
260E29.8Very low34.1Very low151 Ų151141.7 Ų141.771%0.70679%0.794SS**  trans39.7142.3147.5-68.2175.885.800125.3
261S30.6Very low34.9Very low126 Ų126144.4 Ų144.488%0.88180%0.8SS**  trans79121.4162.473.90000119
262K31.3Very low35Very low206 Ų206144.7 Ų144.790%0.89680%0.797SS**  trans-140.6169.9-177-106.3-176.2179.9174.50110.5
263P38.4Very low35.3Very low117 Ų117142.4 Ų142.476%0.7679%0.792SS**  trans-93.6-175.5-159.538.1-39.5000116.6
264C29.8Very low34.6Very low118 Ų118142.5 Ų142.580%0.79779%0.791SS**  trans-29.8154.2165.8-45.40000115.7
265P42.6Very low34.7Very low129 Ų129139.2 Ų139.284%0.83879%0.79SS**  -154.7-176.151.943.5-23.2000117.8
266A27.9Very low34.4Very low102 Ų102140 Ų14084%0.84379%0.794SS**  trans-177.8160.1144.900000113.6
267L32.6Very low34.7Very low164 Ų164142 Ų14286%0.85980%0.802SS**  trans-106.4161.3165.7-78.1164.4000110.2
268P42.8Very low34.7Very low128 Ų128136.7 Ų136.783%0.83180%0.796SS**  -144.8-164.2109.537.8-20.8000114.7
269E28.8Very low35Very low171 Ų171135.8 Ų135.880%0.79980%0.796SS**  trans-106.7158.2-155.6-55.6169.79200116.7
270H35.5Very low35.8Very low166 Ų166131.1 Ų131.177%0.76979%0.793SS**  trans46.8146.2141.2-77.2-53.6000122.6
271P48.8Very low36.7Very low123 Ų123129.9 Ų129.980%0.79980%0.798SS**  -146-157.559.240.8-18.4000117.5
272V33Very low36.7Very low125 Ų125127.6 Ų127.676%0.75880%0.795SS**  trans-92.6172.4-155.3-140.90000114.8
273P46.5Very low36.8Very low113 Ų113124.4 Ų124.473%0.73479%0.792SS**  -144.2143.691.937.3-20.8000117.8
274T32.8Very low37.2Very low121 Ų121124 Ų12474%0.74279%0.79SS**  trans31.1121.3149.155.20000121.1
275A34.5Very low37.4Very low88 Ų88125 Ų12573%0.72779%0.792SS**  71.3146.171.800000113.6
276T34.4Very low37.1Very low130 Ų130129.7 Ų129.780%0.79879%0.793SS**  cis-158.2174.414.9-22.30000107.2
277T33.3Very low37.2Very low138 Ų138130 Ų13085%0.84779%0.789SS**  cis-160.9158.913.1-43.50000109.8
278G30.8Very low37Very low69 Ų69127 Ų12771%0.71178%0.782SS**  trans160.7117161.700000115.4
279N37.5Very low36.4Very low157 Ų157126.7 Ų126.784%0.8478%0.783SS**  trans-139.3171.6-166.7-109-2.8000110.5
280P51.1Low36.4Very low111 Ų111123.8 Ų123.872%0.72178%0.781SS**  -127.8-121.3-54.828.2-4.4000112.8
281P48.6Very low36.2Very low126 Ų126122.2 Ų122.282%0.81879%0.788SS**  -120.2174.9-100.436.6-19.1000116.5
282G30.3Very low35.4Very low78 Ų78122.9 Ų122.980%0.80478%0.78SS**  trans174.9133.7164.900000116.4
283T32.1Very low35.5Very low138 Ų138126.5 Ų126.585%0.84778%0.78SS**  trans-125.4177.6-175.740.20000110.9
284P48.4Very low34.8Very low109 Ų109128 Ų12871%0.70878%0.781SS**  cis-140.2-159.6-36.537.5-17.2000113.7
285V32.1Very low34.8Very low138 Ų138128.7 Ų128.784%0.83678%0.78SS**  trans85.2150.4149.9162.70000120
286R36.3Very low34.8Very low228 Ų228135.4 Ų135.486%0.8679%0.787SS**  trans-95150.5-178.6-53.7152.474.1-170.86.6110.6
287S30Very low34.8Very low108 Ų108137.3 Ų137.376%0.75579%0.786SS**  172.6147.4119.7-790000116.5
288S28.3Very low35Very low103 Ų103136.2 Ų136.272%0.7278%0.782SS**  trans65.1140.6142.659.40000123.5
289S31.4Very low35.5Very low121 Ų121140.8 Ų140.885%0.84679%0.788SS**  trans71.3151.5159.4780000117.5
290S28.9Very low35.8Very low109 Ų109141.1 Ų141.176%0.76278%0.782SS**  cis-162.8143.5-28.5-179.90000109.2
291C31Very low35.5Very low134 Ų134144.8 Ų144.891%0.90579%0.789SS**  trans-147.3143.3151.858.90000109.2
292E32.1Very low35.1Very low136 Ų136144.7 Ų144.764%0.63678%0.782SS**  trans-130.9158-165.9-141.8-161.4168.200110.3
293R34.2Very low35.9Very low201 Ų201144 Ų14476%0.75876%0.764SS**  trans73.3143165.4-59.1163.4-155-141.8-1.8114.7
294L32.1Very low36.7Very low145 Ų145145 Ų14576%0.75976%0.762SS**  cis-156.7-179.82.4-122168.7000111.9
295N32.3Very low36.8Very low136 Ų136146.6 Ų146.673%0.72776%0.76SS**  trans78.1104.6165.4-62.2-18.4000119.4
296R36.5Very low37.6Very low229 Ų229143.8 Ų143.886%0.86475%0.746SS**  trans-101131167.7170.2-164.9-64.8174.8-1.4109.2
297H33.2Very low38.1Very low170 Ų170139.4 Ų139.479%0.78774%0.735SS**  trans-130.9121.5160.3-78.194.6000109.3I299H297-I299 PolarHBondContact O-N 3.1Å
298P37.5Very low39Very low115 Ų115141.5 Ų141.575%0.74774%0.737SS**  trans-83.9110.7176.230-27000110.2
299I40.5Very low40.3Very low164 Ų164144 Ų14484%0.84174%0.735SS**  trans-69.8130.7167.9-63.4175.3000107.9H297H297-I299 PolarHBondContact O-N 3.1Å
300K44.5Very low41.6Very low165 Ų165146.2 Ų146.272%0.71773%0.725SS**  trans-66.8148.7178.7-67.7179.3179.3177.40110.7D302K300-D302 PolarHBondContact O-N 3.4Å
301Q44.3Very low43Very low187 Ų187147.8 Ų147.887%0.87472%0.722SS**  trans-76.878162.4-65.9-177.7-84.700109
302D41.8Very low44Very low125 Ų125144.2 Ų144.267%0.66869%0.694SS**  trans-68.2147.1169-73.2-50.5000110.4K300K300-D302 PolarHBondContact O-N 3.4Å
303S46.3Very low45.2Very low62 Ų62145.4 Ų145.443%0.43471%0.705SS.*  trans-61.4137.8-158.6-172.30000114.1E305 S306S303-E305 PolarHBondContact O-N 3.09Å; S303-E305 WeakPolarHBondContact OG-CB 3.32Å; S303-E305 PolarHBondContact OG-N 3.46Å; S303-E305 PolarHBondContact OG-OE2 3.49Å; S303-S306 WeakPolarHBondContact O-CB 3.45Å; S303-S306 PolarHBondContact O-N 3.23Å; S303-S306 VanDerWaalsContact O-N 3.11Å; S303-S306 PolarHBondContact O-OG 2.98Å
304M48Very low46.7Very low160 Ų160141.8 Ų141.879%0.78871%0.705SS**G310 helixtrans-55.2-20.9171.5-55-68.8173.500112.7S306M304-S306 VanDerWaalsContact C-N 3.35Å
305E51.1Low48.8Very low143 Ų143143 Ų14367%0.66870%0.699SS**G310 helixtrans-66.9-29.1179.2-166.7173.4-175.800113.4S303 Q307 L308S303-E305 PolarHBondContact O-N 3.09Å; S303-E305 WeakPolarHBondContact OG-CB 3.32Å; S303-E305 PolarHBondContact OG-N 3.46Å; S303-E305 PolarHBondContact OG-OE2 3.49Å; E305-Q307 PolarHBondContact O-N 2.84Å; E305-Q307 VanDerWaalsContact O-N 3.16Å; E305-L308 PolarHBondContact O-N 2.88Å
306S49.9Very low51.1Low79 Ų79142.2 Ų142.255%0.55270%0.7SS**G310 helixtrans-63.3-21.8-178.460.60000114.5S303 M304S303-S306 WeakPolarHBondContact O-CB 3.45Å; S303-S306 PolarHBondContact O-N 3.23Å; S303-S306 VanDerWaalsContact O-N 3.11Å; S303-S306 PolarHBondContact O-OG 2.98Å; M304-S306 VanDerWaalsContact C-N 3.35Å
307Q45.6Very low53.2Low135 Ų135135.6 Ų135.663%0.63168%0.681SS**G310 helixtrans-79.8-17.6176.5-68.6-73.4-21.100113.1E305E305-Q307 PolarHBondContact O-N 2.84Å; E305-Q307 VanDerWaalsContact O-N 3.16Å
308L49.3Very low55.6Low153 Ų153130.6 Ų130.680%0.80167%0.669SS**THydrogen-bonded Turntrans-84-20.3179-64.4173.2000112.7E305E305-L308 PolarHBondContact O-N 2.88Å
309K56.3Low57.8Low155 Ų155130.9 Ų130.967%0.67467%0.665SS**  trans-104.959.6-173.3-155.4175.8-175.7174.20113.5D312K309-D312 WeakPolarHBondContact CE-OD2 3.32Å; K309-D312 WeakPolarHBondContact CG-OD2 3.36Å
310R57.5Low60Low167 Ų167128.7 Ų128.763%0.6366%0.655SS**SBendtrans-130.721.3172.3-99.9-167.4-69126-1.2114.5
311M58.6Low61.9Low142 Ų142123.9 Ų123.970%0.764%0.639SS**SBendtrans-142.338.7176.6-70.7174.377.200111.6R315M311-R315 PolarHBondContact O-NH1 3.41Å
312D51.8Low63.9Low59 Ų59118.6 Ų118.632%0.31662%0.619SS.*  trans-101.2-26.6169-76.7-46.6000112.6K309 T314 R315K309-D312 WeakPolarHBondContact CE-OD2 3.32Å; K309-D312 WeakPolarHBondContact CG-OD2 3.36Å; D312-T314 PolarHBondContact O-N 3.5Å; D312-R315 PolarHBondContact O-N 3.38Å; D312-R315 WeakPolarHBondContact OD1-CD 3.18Å; D312-R315 IonicContact OD1-CZ 2.79Å; D312-R315 IonicContact OD1-NE 3.71Å; D312-R315 IonicContact OD1-NH1 3.89Å; D312-R315 PolarHBondContact OD1-NH1 3.12Å
313D58.8Low66Low162 Ų162118.1 Ų118.187%0.86661%0.613SS**THydrogen-bonded Turntrans-63.80.9-179.5-51-29.3000114.7
314T64.9Low67.8Low124 Ų124122.4 Ų122.476%0.76162%0.624SS**THydrogen-bonded Turntrans-126.58.9172.962.30000113.3D312D312-T314 PolarHBondContact O-N 3.5Å
315R76.4Confident69.6Low170 Ų170118.9 Ų118.964%0.64261%0.607SS**PPolyproline II helixtrans-88.1116171.3-69-167.5173.4116.75.7109M311 D312M311-R315 PolarHBondContact O-NH1 3.41Å; D312-R315 PolarHBondContact O-N 3.38Å; D312-R315 WeakPolarHBondContact OD1-CD 3.18Å; D312-R315 IonicContact OD1-CZ 2.79Å; D312-R315 IonicContact OD1-NE 3.71Å; D312-R315 IonicContact OD1-NH1 3.89Å; D312-R315 PolarHBondContact OD1-NH1 3.12Å
316V80.3Confident71.2Confident121 Ų121117.1 Ų117.173%0.73360%0.602SS**PPolyproline II helixtrans-75.5124.5174179.90000108.1V321V316-V321 HydrophobicContact CG1-CG2 3.4Å; V316-V321 VanDerWaalsContact CG1-CG2 3.4Å
317D81.1Confident72.6Confident89 Ų89120.1 Ų120.148%0.47661%0.607SS.*PPolyproline II helixtrans-68.6137.6170.9-157.1-44.2000109.7D319 D320 V321D317-D319 PolarHBondContact OD1-N 2.91Å; D317-D320 HydrophobicContact CB-CB 4.09Å; D317-V321 WeakPolarHBondContact O-CG2 3.34Å; D317-V321 PolarHBondContact O-N 3.3Å
318A82.7Confident74.3Confident65 Ų65117.3 Ų117.354%0.53760%0.603SS.*Hα-helixtrans-73.5-34.4178.200000111.2V321 V322A318-V321 PolarHBondContact O-N 2.87Å; A318-V322 WeakPolarHBondContact O-CG2 3.46Å; A318-V322 PolarHBondContact O-N 2.94Å
319D85.4Confident75.7Confident121 Ų121115.5 Ų115.565%0.64759%0.59SS**Hα-helixtrans-75.6-39.1-175.7-67.9-20.8000110.7D317 V321 V322 E323D317-D319 PolarHBondContact OD1-N 2.91Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 PolarHBondContact O-N 3.17Å; D319-V322 PolarHBondContact O-N 3.22Å; D319-E323 WeakPolarHBondContact O-CB 3.48Å; D319-E323 PolarHBondContact O-N 2.99Å
320D85.3Confident76.5Confident119 Ų119114.4 Ų114.464%0.63659%0.592SS**Hα-helixtrans-55.7-41.8168.7-82.3-2.3000112D317 K324D317-D320 HydrophobicContact CB-CB 4.09Å; D320-K324 WeakPolarHBondContact O-CB 3.49Å; D320-K324 PolarHBondContact O-N 3.37Å
321V85.1Confident77.1Confident63 Ų63113.1 Ų113.138%0.38259%0.591SS.*Hα-helixtrans-70-40.8179.2169.40000111.1V316 D317 A318 D319 I325V316-V321 HydrophobicContact CG1-CG2 3.4Å; V316-V321 VanDerWaalsContact CG1-CG2 3.4Å; D317-V321 WeakPolarHBondContact O-CG2 3.34Å; D317-V321 PolarHBondContact O-N 3.3Å; A318-V321 PolarHBondContact O-N 2.87Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 PolarHBondContact O-N 3.17Å; V321-I325 HydrophobicContact CG1-CD1 3.95Å; V321-I325 WeakPolarHBondContact O-CD1 3.36Å; V321-I325 VanDerWaalsContact O-CG1 3.25Å; V321-I325 WeakPolarHBondContact O-CG1 3.22Å; V321-I325 PolarHBondContact O-N 3.38Å
322V85.6Confident77.5Confident77 Ų77111.3 Ų111.347%0.46759%0.588SS.*Hα-helixtrans-67-45.1177.2167.50000111.2A318 D319 K324 I325 L326A318-V322 WeakPolarHBondContact O-CG2 3.46Å; A318-V322 PolarHBondContact O-N 2.94Å; D319-V322 PolarHBondContact O-N 3.22Å; V322-K324 VanDerWaalsContact C-N 3.35Å; V322-K324 PolarHBondContact O-N 2.68Å; V322-I325 PolarHBondContact O-N 2.95Å; V322-L326 HydrophobicContact CG1-CD1 3.87Å; V322-L326 WeakPolarHBondContact O-CG 3.49Å; V322-L326 PolarHBondContact O-N 2.91Å
323E86.9Confident77.7Confident115 Ų115113.8 Ų113.854%0.53761%0.607SS.*Hα-helixtrans-62.5-43.4176.2-167.6-176.2-86.100110.8D319 I325 L326 Q327D319-E323 WeakPolarHBondContact O-CB 3.48Å; D319-E323 PolarHBondContact O-N 2.99Å; E323-I325 VanDerWaalsContact C-N 3.3Å; E323-I325 PolarHBondContact O-N 3.37Å; E323-L326 CarbonylContact O-C 3.47Å; E323-L326 PolarHBondContact O-N 2.81Å; E323-L326 VanDerWaalsContact O-N 3.1Å; E323-Q327 VanDerWaalsContact CD-NE2 3.31Å; E323-Q327 HydrophobicContact CG-CG 4.35Å; E323-Q327 WeakPolarHBondContact O-CB 3.4Å; E323-Q327 WeakPolarHBondContact O-CG 3.24Å; E323-Q327 PolarHBondContact O-N 3.05Å; E323-Q327 PolarHBondContact OE2-NE2 2.91Å
324K84.6Confident77.2Confident151 Ų151111.1 Ų111.166%0.65760%0.601SS**Hα-helixtrans-64.2-32176.8-171170-173.3170.20113.2D320 V322 S328D320-K324 WeakPolarHBondContact O-CB 3.49Å; D320-K324 PolarHBondContact O-N 3.37Å; V322-K324 VanDerWaalsContact C-N 3.35Å; V322-K324 PolarHBondContact O-N 2.68Å; K324-S328 VanDerWaalsContact O-CB 3.24Å; K324-S328 WeakPolarHBondContact O-CB 2.99Å; K324-S328 PolarHBondContact O-N 3.42Å; K324-S328 VanDerWaalsContact O-N 3.17Å; K324-S328 PolarHBondContact O-OG 2.85Å
325I85.4Confident76.7Confident86 Ų86112.6 Ų112.644%0.44160%0.604SS.*Hα-helixtrans-68.9-46.6170.3-70.4163.5000110V321 V322 E323 Q327 S328 Q329V321-I325 HydrophobicContact CG1-CD1 3.95Å; V321-I325 WeakPolarHBondContact O-CD1 3.36Å; V321-I325 VanDerWaalsContact O-CG1 3.25Å; V321-I325 WeakPolarHBondContact O-CG1 3.22Å; V321-I325 PolarHBondContact O-N 3.38Å; V322-I325 PolarHBondContact O-N 2.95Å; E323-I325 VanDerWaalsContact C-N 3.3Å; E323-I325 PolarHBondContact O-N 3.37Å; I325-Q327 VanDerWaalsContact C-N 3.28Å; I325-Q327 PolarHBondContact O-N 3.25Å; I325-S328 PolarHBondContact O-N 2.98Å; I325-S328 PolarHBondContact O-OG 2.89Å; I325-Q329 HydrophobicContact CG2-CG 4.16Å; I325-Q329 WeakPolarHBondContact O-CB 3.4Å; I325-Q329 WeakPolarHBondContact O-CG 3.32Å; I325-Q329 PolarHBondContact O-N 2.97Å
326L83.2Confident75.4Confident107 Ų107112.7 Ų112.756%0.5662%0.616SS**Hα-helixtrans-61.4-32.5178.5-75.2163.8000113.6V322 E323 F331V322-L326 HydrophobicContact CG1-CD1 3.87Å; V322-L326 WeakPolarHBondContact O-CG 3.49Å; V322-L326 PolarHBondContact O-N 2.91Å; E323-L326 CarbonylContact O-C 3.47Å; E323-L326 PolarHBondContact O-N 2.81Å; E323-L326 VanDerWaalsContact O-N 3.1Å; L326-F331 HydrophobicContact CD2-CE2 4.04Å
327Q79.9Confident73.7Confident142 Ų142113.2 Ų113.266%0.66462%0.615SS**Hα-helixtrans-84.2-20.2176.5-70.51745.400114.1E323 I325E323-Q327 VanDerWaalsContact CD-NE2 3.31Å; E323-Q327 HydrophobicContact CG-CG 4.35Å; E323-Q327 WeakPolarHBondContact O-CB 3.4Å; E323-Q327 WeakPolarHBondContact O-CG 3.24Å; E323-Q327 PolarHBondContact O-N 3.05Å; E323-Q327 PolarHBondContact OE2-NE2 2.91Å; I325-Q327 VanDerWaalsContact C-N 3.28Å; I325-Q327 PolarHBondContact O-N 3.25Å
328S81.3Confident72Confident76 Ų76114.2 Ų114.253%0.53163%0.628SS.*Hα-helixtrans-106.6-2.1-176.463.50000114.4K324 I325K324-S328 VanDerWaalsContact O-CB 3.24Å; K324-S328 WeakPolarHBondContact O-CB 2.99Å; K324-S328 PolarHBondContact O-N 3.42Å; K324-S328 VanDerWaalsContact O-N 3.17Å; K324-S328 PolarHBondContact O-OG 2.85Å; I325-S328 PolarHBondContact O-N 2.98Å; I325-S328 PolarHBondContact O-OG 2.89Å
329Q78.5Confident70.4Confident114 Ų114116.3 Ų116.353%0.53364%0.64SS.*SBendtrans-113.8121.3173-62.3-61.1-87.800109.1I325 F331I325-Q329 HydrophobicContact CG2-CG 4.16Å; I325-Q329 WeakPolarHBondContact O-CB 3.4Å; I325-Q329 WeakPolarHBondContact O-CG 3.32Å; I325-Q329 PolarHBondContact O-N 2.97Å; Q329-F331 HydrophobicContact CB-CD2 4.13Å; Q329-F331 HydrophobicContact CB-CE1 4.36Å; Q329-F331 HydrophobicContact CB-CE2 3.51Å; Q329-F331 HydrophobicContact CB-CZ 3.65Å; Q329-F331 HydrophobicContact CG-CZ 4.31Å; Q329-F331 VanDerWaalsContact O-CD2 3.24Å; Q329-F331 WeakPolarHBondContact O-CD2 3.19Å; Q329-F331 PolarHBondContact O-N 2.81Å
330D73.3Confident68.7Low133 Ų133114.4 Ų114.471%0.71164%0.64SS**  trans-79105.1171.7-165.6-27.5000108.7T332D330-T332 VanDerWaalsContact C-N 3.26Å; D330-T332 PolarHBondContact O-N 2.87Å; D330-T332 VanDerWaalsContact OD1-CB 3.29Å; D330-T332 WeakPolarHBondContact OD1-CB 3.47Å; D330-T332 VanDerWaalsContact OD1-CG2 3.31Å; D330-T332 WeakPolarHBondContact OD1-CG2 3.23Å; D330-T332 PolarHBondContact OD1-N 3.25Å; D330-T332 PolarHBondContact OD1-OG1 3.33Å
331F70.8Confident66.9Low140 Ų140116.8 Ų116.861%0.61465%0.648SS**  trans-86.612.7178.7-67.7-79.1000113.2L326 Q329 P333L326-F331 HydrophobicContact CD2-CE2 4.04Å; Q329-F331 HydrophobicContact CB-CD2 4.13Å; Q329-F331 HydrophobicContact CB-CE1 4.36Å; Q329-F331 HydrophobicContact CB-CE2 3.51Å; Q329-F331 HydrophobicContact CB-CZ 3.65Å; Q329-F331 HydrophobicContact CG-CZ 4.31Å; Q329-F331 VanDerWaalsContact O-CD2 3.24Å; Q329-F331 WeakPolarHBondContact O-CD2 3.19Å; Q329-F331 PolarHBondContact O-N 2.81Å; F331-P333 VanDerWaalsContact O-CD 3.29Å; F331-P333 WeakPolarHBondContact O-CD 3.39Å
332T67.1Low65.3Low103 Ų103121 Ų12163%0.63266%0.663SS**  trans-68.1119.2171.856.40000110D330 S334D330-T332 VanDerWaalsContact C-N 3.26Å; D330-T332 PolarHBondContact O-N 2.87Å; D330-T332 VanDerWaalsContact OD1-CB 3.29Å; D330-T332 WeakPolarHBondContact OD1-CB 3.47Å; D330-T332 VanDerWaalsContact OD1-CG2 3.31Å; D330-T332 WeakPolarHBondContact OD1-CG2 3.23Å; D330-T332 PolarHBondContact OD1-N 3.25Å; D330-T332 PolarHBondContact OD1-OG1 3.33Å; T332-S334 PolarHBondContact O-N 2.66Å; T332-S334 VanDerWaalsContact O-N 3.15Å
333P56.3Low63.9Low111 Ų111124.6 Ų124.672%0.72168%0.675SS**  trans-72.2113.4176.929.1-32.7000109F331 L335F331-P333 VanDerWaalsContact O-CD 3.29Å; F331-P333 WeakPolarHBondContact O-CD 3.39Å; P333-L335 PolarHBondContact O-N 3.15Å
334S47.9Very low63Low106 Ų106121 Ų12174%0.74167%0.669SS**  trans-63.197168.554.60000109.1T332 L336T332-S334 PolarHBondContact O-N 2.66Å; T332-S334 VanDerWaalsContact O-N 3.15Å; S334-L336 PolarHBondContact O-N 3.02Å
335L53.4Low62.3Low156 Ų156120.2 Ų120.282%0.81767%0.671SS**THydrogen-bonded Turntrans-76.738.2-159.9-139.5174.3000114.1P333P333-L335 PolarHBondContact O-N 3.15Å
336L50.3Low61.9Low172 Ų172119.5 Ų119.590%0.90166%0.663SS**THydrogen-bonded Turntrans-143.83.5-164.9-77.6177.8000117.2S334S334-L336 PolarHBondContact O-N 3.02Å
337D43.6Very low61.7Low131 Ų131117.8 Ų117.870%0.70165%0.654SS**  trans-133.824.5-177.6-151.313000115.8S339D337-S339 PolarHBondContact O-N 2.79Å
338S45.3Very low61.8Low110 Ų110111.9 Ų111.977%0.76963%0.626SS**THydrogen-bonded Turntrans-77.950.7176.6-56.40000113.2
339S48.8Very low61.8Low110 Ų110111 Ų11177%0.76962%0.617SS**THydrogen-bonded Turntrans-116.4-1.8-176.4-168.70000114.7D337D337-S339 PolarHBondContact O-N 2.79Å
340A50.7Low62Low80 Ų80106 Ų10666%0.66160%0.596SS**SBendtrans-104.9-3.4-166.200000115.7
341E47.7Very low62.1Low170 Ų170105 Ų10579%0.79460%0.597SS**  trans-115.230.5-16357.2-157.6108.600116.3
342E50.3Low62.3Low151 Ų151102.6 Ų102.671%0.70661%0.612SS**  trans-115.925.8164.2-149.4-145.9120.300114.4G344 R346E342-G344 PolarHBondContact O-N 2.98Å; E342-R346 IonicContact OE1-NH2 2.72Å; E342-R346 PolarHBondContact OE1-NH2 2.57Å
343E57.1Low62.8Low152 Ų152100.3 Ų100.371%0.7161%0.609SS**  trans-74.558.8172.1-69.8-139.1131.600113.1
344G66.9Low63.7Low40 Ų4097.9 Ų97.941%0.41259%0.594SS.*  trans-70.8131.317300000112.4E342 R346E342-G344 PolarHBondContact O-N 2.98Å; G344-R346 PolarHBondContact O-N 2.84Å
345L71.2Confident65.4Low135 Ų13597.2 Ų97.271%0.70759%0.586SS**  trans-63.8125.7169.7-70.8173.7000110.5
346R75.4Confident66.5Low70 Ų7091.1 Ų91.126%0.26456%0.558SS.*EExtended strand (participates in β ladder)trans-114.4144.4-177.9-67.4166.8-177.6-143.76.6110.4E342 G344 F348 L357 G358 Q373E342-R346 IonicContact OE1-NH2 2.72Å; E342-R346 PolarHBondContact OE1-NH2 2.57Å; G344-R346 PolarHBondContact O-N 2.84Å; R346-F348 HydrophobicContact CB-CE2 3.87Å; R346-F348 HydrophobicContact CB-CZ 4.07Å; R346-F348 WeakPolarHBondContact O-CD2 3.2Å; R346-F348 WeakPolarHBondContact O-CE2 3.34Å; R346-L357 WeakPolarHBondContact O-CA 3.25Å; R346-G358 PolarHBondContact N-O 2.68Å; R346-G358 PolarHBondContact O-N 3.41Å; R346-G358 VanDerWaalsContact O-N 3.1Å; R346-Q373 HydrophobicContact CB-CG 4.23Å
347L81Confident67.8Low72 Ų7289.1 Ų89.138%0.37755%0.548SS..EExtended strand (participates in β ladder)trans-89.5133.8176.5-179.667.2000110.1L357 V374L347-L357 HydrophobicContact CB-CD2 3.98Å; L347-L357 HydrophobicContact CD1-CD2 3.94Å; L347-L357 HydrophobicContact CD1-CG 4.14Å; L347-V374 HydrophobicContact CB-CB 4.36Å; L347-V374 HydrophobicContact CB-CG2 4.31Å; L347-V374 HydrophobicContact CD2-CB 4.32Å; L347-V374 HydrophobicContact CD2-CG2 3.92Å; L347-V374 HydrophobicContact CG-CB 4.41Å; L347-V374 HydrophobicContact CG-CG2 3.89Å; L347-V374 PolarHBondContact O-N 3.4Å
348F80.3Confident69.3Low18 Ų1883.8 Ų83.88%0.07952%0.524CS..EExtended strand (participates in β ladder)trans-122.7147.8177.9-59.8-93.3000111R346 T355 A356 L362 Y371 E372 Q373R346-F348 HydrophobicContact CB-CE2 3.87Å; R346-F348 HydrophobicContact CB-CZ 4.07Å; R346-F348 WeakPolarHBondContact O-CD2 3.2Å; R346-F348 WeakPolarHBondContact O-CE2 3.34Å; F348-T355 WeakPolarHBondContact O-CA 3.2Å; F348-A356 PolarHBondContact N-O 3.49Å; F348-A356 PolarHBondContact O-N 2.93Å; F348-L362 HydrophobicContact CB-CD1 4.35Å; F348-L362 HydrophobicContact CD1-CD1 4.2Å; F348-L362 HydrophobicContact CD2-CD1 4Å; F348-L362 HydrophobicContact CE2-CD1 4.36Å; F348-L362 HydrophobicContact CG-CD1 3.93Å; F348-Y371 HydrophobicContact CB-CD1 4.25Å; F348-E372 CarbonylContact C-O 3.51Å; F348-E372 WeakPolarHBondContact CA-O 3.29Å; F348-Q373 HydrophobicContact CD1-CB 4.07Å; F348-Q373 HydrophobicContact CD1-CG 4.49Å; F348-Q373 HydrophobicContact CE1-CB 3.89Å; F348-Q373 HydrophobicContact CE1-CG 4.14Å; F348-Q373 HydrophobicContact CZ-CG 4.49Å
349V83Confident70.3Confident57 Ų5780.9 Ų80.935%0.34550%0.504SS..EExtended strand (participates in β ladder)trans-123.8133.8176.9-177.30000109.5S354 T355 Y371 E372 V374V349-S354 CarbonylContact C-O 3.51Å; V349-S354 WeakPolarHBondContact CA-O 3.12Å; V349-T355 HydrophobicContact CG2-CG2 4.25Å; V349-Y371 WeakPolarHBondContact O-CA 3.49Å; V349-E372 PolarHBondContact N-O 2.78Å; V349-E372 PolarHBondContact O-N 2.84Å; V349-V374 HydrophobicContact CG2-CG2 3.52Å
350G81.4Confident71Confident9 Ų982.5 Ų82.59%0.09350%0.499CS..  trans-110.9170.9176.300000113.6G352 G353 S354 A370G350-G352 PolarHBondContact O-N 3.28Å; G350-G353 PolarHBondContact O-N 3.35Å; G350-S354 PolarHBondContact N-O 3.42Å; G350-A370 VanDerWaalsContact CA-O 3.24Å; G350-A370 WeakPolarHBondContact CA-O 3.46Å
351P74.7Confident71.4Confident111 Ų11184.6 Ų84.672%0.72150%0.495SS*.THydrogen-bonded Turntrans-59.1135.1179.625.8-34000110.8A370P351-A370 WeakPolarHBondContact CD-O 3.33Å
352G76.2Confident71.7Confident91 Ų9179.9 Ų79.994%0.93847%0.474SS*.THydrogen-bonded Turntrans85.92.1-170.800000114.8G350G350-G352 PolarHBondContact O-N 3.28Å
353G78.1Confident71.6Confident54 Ų5477.7 Ų77.756%0.55747%0.473SS*.SBendtrans82.714.7174.500000114.8G350G350-G353 PolarHBondContact O-N 3.35Å
354S75.2Confident71.2Confident60 Ų6075.5 Ų75.542%0.4247%0.471SS..  trans-64.6141.5170.2-170.30000110.4V349 G350V349-S354 CarbonylContact C-O 3.51Å; V349-S354 WeakPolarHBondContact CA-O 3.12Å; G350-S354 PolarHBondContact N-O 3.42Å
355T83.1Confident70.4Confident93 Ų9385.3 Ų85.357%0.57150%0.495SS*.EExtended strand (participates in β ladder)trans-121.9144.8-177.657.20000112.2F348 V349F348-T355 WeakPolarHBondContact O-CA 3.2Å; V349-T355 HydrophobicContact CG2-CG2 4.25Å
356A75.4Confident69.3Low28 Ų2883.9 Ų83.923%0.23149%0.492CS..EExtended strand (participates in β ladder)trans-140.3152.1179.700000111.1F348 Y371F348-A356 PolarHBondContact N-O 3.49Å; F348-A356 PolarHBondContact O-N 2.93Å; A356-Y371 HydrophobicContact CB-CD1 4.49Å; A356-Y371 HydrophobicContact CB-CE1 4.3Å
357L79.4Confident67.7Low129 Ų12983.3 Ų83.368%0.67551%0.508SS*.EExtended strand (participates in β ladder)trans-121.2138.5176.8-75.8163000109.6R346 L347R346-L357 WeakPolarHBondContact O-CA 3.25Å; L347-L357 HydrophobicContact CB-CD2 3.98Å; L347-L357 HydrophobicContact CD1-CD2 3.94Å; L347-L357 HydrophobicContact CD1-CG 4.14Å
358G74Confident66Low20 Ų2084.5 Ų84.521%0.20653%0.528CS..EExtended strand (participates in β ladder)trans-171.9162.2175.900000114R346R346-G358 PolarHBondContact N-O 2.68Å; R346-G358 PolarHBondContact O-N 3.41Å; R346-G358 VanDerWaalsContact O-N 3.1Å
359S66.5Low64.8Low49 Ų4987.5 Ų87.534%0.34356%0.564SS.*SBendtrans-80161.2162.948.70000110.3H361S359-H361 PolarHBondContact O-N 3.37Å
360H64.3Low63.8Low143 Ų14386.4 Ų86.466%0.66256%0.561SS**SBendtrans-13.6101.1-173.3-130.7-108.4000118.4
361H58.6Low63.2Low125 Ų12589.8 Ų89.858%0.57957%0.571SS**SBendtrans67.7139.8-178.5105.7-54.7000117.1S359S359-H361 PolarHBondContact O-N 3.37Å
362L54.4Low63.3Low70 Ų7092 Ų9237%0.36657%0.572SS.*  trans-73.5132.7166.2-80.288.3000109.4F348 Y371F348-L362 HydrophobicContact CB-CD1 4.35Å; F348-L362 HydrophobicContact CD1-CD1 4.2Å; F348-L362 HydrophobicContact CD2-CD1 4Å; F348-L362 HydrophobicContact CE2-CD1 4.36Å; F348-L362 HydrophobicContact CG-CD1 3.93Å; L362-Y371 HydrophobicContact CD2-CD2 4.23Å; L362-Y371 HydrophobicContact CD2-CG 4.44Å
363P46.8Very low63.4Low105 Ų10591.7 Ų91.768%0.68255%0.546SS*.  trans-63.2139.8177.825.9-34.2000111.5R365P363-R365 PolarHBondContact O-N 3.07Å
364T48.4Very low63.4Low107 Ų10791.7 Ų91.766%0.65654%0.535SS*.THydrogen-bonded Turntrans-71.450.2-165-33.40000115.6
365R51Low63.4Low246 Ų24693.9 Ų93.993%0.92855%0.546SS*.THydrogen-bonded Turntrans-109.7-2172.2-76.7-165.7168.8-145.8-2.8114.7P363P363-R365 PolarHBondContact O-N 3.07Å
366V47.6Very low62.9Low105 Ų10596.7 Ų96.764%0.63656%0.556SS**SBendtrans-119.3146.9156.6-177.10000106.6A368V366-A368 PolarHBondContact O-N 2.95Å
367G42.3Very low62.2Low58 Ų58104.5 Ų104.560%0.59859%0.585SS**  trans-52.3131.6-168.900000113.9G369 A370G367-G369 PolarHBondContact O-N 2.81Å; G367-A370 PolarHBondContact O-N 2.79Å
368A45.1Very low60.5Low96 Ų96113.4 Ų113.479%0.79361%0.609SS**THydrogen-bonded Turntrans-58.7126.6179.300000110.8V366V366-A368 PolarHBondContact O-N 2.95Å
369G54.9Low59.8Low82 Ų82118.1 Ų118.185%0.84563%0.63SS**THydrogen-bonded Turntrans109.9-1.7-178.200000115.8G367G367-G369 PolarHBondContact O-N 2.81Å
370A63.4Low59.5Low34 Ų34121.7 Ų121.728%0.28165%0.645SS.*SBendtrans-86-2.4-175.300000116.5G350 P351 G367G350-A370 VanDerWaalsContact CA-O 3.24Å; G350-A370 WeakPolarHBondContact CA-O 3.46Å; P351-A370 WeakPolarHBondContact CD-O 3.33Å; G367-A370 PolarHBondContact O-N 2.79Å
371Y67.9Low59.2Low79 Ų79120.6 Ų120.631%0.3164%0.644SS.*  trans-144.5126-175.2-78.9-88.7000112.1F348 V349 A356 L362F348-Y371 HydrophobicContact CB-CD1 4.25Å; V349-Y371 WeakPolarHBondContact O-CA 3.49Å; A356-Y371 HydrophobicContact CB-CD1 4.49Å; A356-Y371 HydrophobicContact CB-CE1 4.3Å; L362-Y371 HydrophobicContact CD2-CD2 4.23Å; L362-Y371 HydrophobicContact CD2-CG 4.44Å
372E76.1Confident59.2Low159 Ų159120.3 Ų120.374%0.74365%0.648SS**EExtended strand (participates in β ladder)trans-106144.7179.1-65-170.4162.300111.9F348 V349F348-E372 CarbonylContact C-O 3.51Å; F348-E372 WeakPolarHBondContact CA-O 3.29Å; V349-E372 PolarHBondContact N-O 2.78Å; V349-E372 PolarHBondContact O-N 2.84Å
373Q78Confident59.5Low83 Ų83123.4 Ų123.439%0.38867%0.665SS.*EExtended strand (participates in β ladder)trans-76.5130.9178.9-166.2-162.4-59.700111.3R346 F348 V375R346-Q373 HydrophobicContact CB-CG 4.23Å; F348-Q373 HydrophobicContact CD1-CB 4.07Å; F348-Q373 HydrophobicContact CD1-CG 4.49Å; F348-Q373 HydrophobicContact CE1-CB 3.89Å; F348-Q373 HydrophobicContact CE1-CG 4.14Å; F348-Q373 HydrophobicContact CZ-CG 4.49Å; Q373-V375 PolarHBondContact O-N 2.91Å
374V78.6Confident60.4Low54 Ų54124.7 Ų124.733%0.32766%0.664SS.*  trans-72.2127.7171.6-175.50000110.2L347 V349 I376L347-V374 HydrophobicContact CB-CB 4.36Å; L347-V374 HydrophobicContact CB-CG2 4.31Å; L347-V374 HydrophobicContact CD2-CB 4.32Å; L347-V374 HydrophobicContact CD2-CG2 3.92Å; L347-V374 HydrophobicContact CG-CB 4.41Å; L347-V374 HydrophobicContact CG-CG2 3.89Å; L347-V374 PolarHBondContact O-N 3.4Å; V349-V374 HydrophobicContact CG2-CG2 3.52Å; V374-I376 HydrophobicContact CG1-CG1 4.22Å
375V76.1Confident61.2Low106 Ų106125.9 Ų125.964%0.64267%0.665SS**  trans-121.1105.6174.4-179.40000109.4Q373Q373-V375 PolarHBondContact O-N 2.91Å
376I71.6Confident62Low153 Ų153116.7 Ų116.779%0.78564%0.644SS**  trans-85.8111.9173.7-56.4176.1000108.2V374V374-I376 HydrophobicContact CG1-CG1 4.22Å
377K60.9Low63.2Low191 Ų191117.7 Ų117.783%0.8365%0.645SS**  trans-76.9141.1166.7-67.1-177.6177.8179.40109.5
378R43.8Very low65.1Low317 Ų317123.1 Ų123.1100%1.19665%0.649SS**  trans-90.50166.7-78.9-177.1172.2165.1-1.7110.2

Retrieved 378 of 378 residues in 157.4 ms (Link to these results)

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