A0A087X7K3_POEFO Loading...

RAB1A, member RAS oncogene family b

AlphaFold DB (A0A3B4Y4J2), UniProt , Accession A0A087X7K3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 203 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
1M46.7Very low82.6Confident240 Ų24079.8 Ų79.8100%1.18240%0.4SS*.  0116.90-74.1173.6172.200106.4
2N50.9Low83.7Confident160 Ų16073.2 Ų73.286%0.85637%0.366SS*.  trans-61.6135.8174.8-92.8-4.8000108.5E4N2-E4 PolarHBondContact O-N 3.47Å
3P66.8Low84.6Confident76 Ų7667.6 Ų67.649%0.49434%0.339SS..  trans-60.8133.2173.924.7-30.3000109Y5 A179P3-Y5 PolarHBondContact O-N 3.36Å; P3-A179 HydrophobicContact CG-CB 4.4Å
4E84.9Confident85.4Confident177 Ų17762.8 Ų62.883%0.82731%0.314SS*.SBendtrans-69.32.3-179.2-158.4176.7-171.700112.8N2N2-E4 PolarHBondContact O-N 3.47Å
5Y90Very high86Confident72 Ų7258.6 Ų58.628%0.28229%0.294SS..  trans-150.5150.4-178.556.8-93.4000110.6P3 Y7 L8 K58P3-Y5 PolarHBondContact O-N 3.36Å; Y5-Y7 VanDerWaalsContact CD2-O 3.26Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.43Å; Y5-L8 HydrophobicContact CD2-CB 4.29Å; Y5-L8 HydrophobicContact CE2-CB 3.67Å; Y5-K58 HydrophobicContact CD1-CB 4.23Å; Y5-K58 HydrophobicContact CD1-CD 3.84Å; Y5-K58 HydrophobicContact CD2-CB 4.36Å; Y5-K58 HydrophobicContact CE1-CD 3.93Å; Y5-K58 HydrophobicContact CG-CB 4Å; Y5-K58 HydrophobicContact CG-CD 4.45Å
6D91.8Very high86.5Confident44 Ų4456.2 Ų56.224%0.23528%0.282CS..SBendtrans-78.9-37.5175-64.4-92.6000111.9K55 T56D6-K55 HydrophobicContact CB-CB 4.28Å; D6-K55 HydrophobicContact CB-CD 3.89Å; D6-K55 VanDerWaalsContact OD1-CD 3.26Å; D6-K55 WeakPolarHBondContact OD1-CD 3.32Å; D6-K55 IonicContact OD1-NZ 2.66Å; D6-K55 PolarHBondContact OD1-NZ 2.98Å; D6-K55 WeakPolarHBondContact OD2-CA 3.3Å; D6-T56 PolarHBondContact N-O 2.92Å; D6-T56 PolarHBondContact OD2-N 2.99Å
7Y93.6Very high86.8Confident14 Ų1455.6 Ų55.66%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-135.4147.5-175.2-60.9-82.7000112.4Y5 F9 K55 T56 I57 K58 A177 T178Y5-Y7 VanDerWaalsContact CD2-O 3.26Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.43Å; Y7-F9 AromaticContact CD1-CE1 3.92Å; Y7-F9 HydrophobicContact CD1-CE1 3.92Å; Y7-F9 HydrophobicContact CD1-CZ 4.04Å; Y7-F9 HydrophobicContact CG-CE1 4.03Å; Y7-F9 AromaticContact CG-CZ 3.93Å; Y7-F9 HydrophobicContact CG-CZ 3.93Å; Y7-K55 HydrophobicContact CD2-CB 4.21Å; Y7-K55 HydrophobicContact CE2-CB 4.01Å; Y7-K55 HydrophobicContact CE2-CD 4.17Å; Y7-K55 HydrophobicContact CE2-CG 3.98Å; Y7-T56 PolarHBondContact N-O 3Å; Y7-I57 HydrophobicContact CD2-CG1 4.1Å; Y7-K58 PolarHBondContact O-N 2.82Å; Y7-A177 VanDerWaalsContact CE1-O 3.27Å; Y7-A177 WeakPolarHBondContact CE1-O 3.44Å; Y7-T178 HydrophobicContact CD1-CG2 4.29Å; Y7-T178 HydrophobicContact CE1-CG2 3.58Å; Y7-T178 HydrophobicContact CE2-CG2 4.05Å; Y7-T178 VanDerWaalsContact CZ-CG2 3.44Å; Y7-T178 WeakPolarHBondContact OH-CG2 3.36Å
8L94.9Very high87.1Confident60 Ų6054.1 Ų54.131%0.31429%0.285SS..EExtended strand (participates in β ladder)trans-123113.2171.2179.367.9000108.8Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.29Å; Y5-L8 HydrophobicContact CE2-CB 3.67Å; L8-K58 WeakPolarHBondContact CA-O 3.33Å; L8-K58 HydrophobicContact CD1-CB 3.84Å; L8-K58 HydrophobicContact CD1-CD 4.07Å; L8-K58 HydrophobicContact CD1-CG 3.84Å; L8-Q60 HydrophobicContact CD1-CG 3.76Å
9F96.3Very high87.5Confident1 Ų151.3 Ų51.30%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-112.2129.9178.6-58.3-23.8000111.2Y7 I57 K58 L59 Q60 A166 I169 K170 M173Y7-F9 AromaticContact CD1-CE1 3.92Å; Y7-F9 HydrophobicContact CD1-CE1 3.92Å; Y7-F9 HydrophobicContact CD1-CZ 4.04Å; Y7-F9 HydrophobicContact CG-CE1 4.03Å; Y7-F9 AromaticContact CG-CZ 3.93Å; Y7-F9 HydrophobicContact CG-CZ 3.93Å; F9-I57 HydrophobicContact CD2-CG2 3.48Å; F9-I57 VanDerWaalsContact CD2-CG2 3.48Å; F9-I57 HydrophobicContact CE2-CD1 3.89Å; F9-I57 HydrophobicContact CE2-CG2 3.66Å; F9-I57 HydrophobicContact CG-CG2 4.05Å; F9-I57 HydrophobicContact CZ-CD1 4.45Å; F9-I57 HydrophobicContact CZ-CG2 4.33Å; F9-K58 PolarHBondContact N-O 3.1Å; F9-L59 HydrophobicContact CB-CD2 3.9Å; F9-L59 HydrophobicContact CD2-CD2 4.06Å; F9-L59 HydrophobicContact CG-CD2 4.44Å; F9-L59 WeakPolarHBondContact O-CA 3.37Å; F9-Q60 PolarHBondContact O-N 3.18Å; F9-A166 HydrophobicContact CD2-CB 4.41Å; F9-A166 WeakPolarHBondContact CE2-O 3.25Å; F9-I169 HydrophobicContact CB-CD1 4.46Å; F9-I169 HydrophobicContact CD1-CG2 3.74Å; F9-I169 HydrophobicContact CD2-CB 4.14Å; F9-I169 HydrophobicContact CD2-CD1 4.38Å; F9-I169 HydrophobicContact CD2-CG2 3.8Å; F9-I169 HydrophobicContact CE1-CG2 3.73Å; F9-I169 HydrophobicContact CE2-CB 4.06Å; F9-I169 HydrophobicContact CE2-CG2 3.76Å; F9-I169 HydrophobicContact CG-CG2 3.8Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.74Å; F9-K170 HydrophobicContact CE2-CB 4.19Å; F9-K170 HydrophobicContact CZ-CB 4.09Å; F9-M173 HydrophobicContact CD1-CE 3.44Å; F9-M173 VanDerWaalsContact CD1-CE 3.44Å; F9-M173 HydrophobicContact CE1-CE 3.27Å; F9-M173 HydrophobicContact CE1-SD 3.85Å; F9-M173 HydrophobicContact CZ-CE 4.25Å
10K95.7Very high87.9Confident34 Ų3449.4 Ų49.415%0.14826%0.264CS..EExtended strand (participates in β ladder)trans-91.2116.5170.7-178.2178.4168.1-1690109.4Q60 Y77 R79 H82 G83K10-Q60 CarbonylContact C-O 3.52Å; K10-Q60 WeakPolarHBondContact CA-O 3.43Å; K10-Y77 WeakPolarHBondContact CE-O 3.4Å; K10-Y77 PolarHBondContact NZ-O 3.41Å; K10-R79 PolarHBondContact NZ-O 3.19Å; K10-H82 WeakPolarHBondContact CB-ND1 3.29Å; K10-H82 PolarHBondContact N-ND1 3.44Å; K10-H82 PolarHBondContact O-N 3.25Å; K10-G83 PolarHBondContact O-N 3.25Å
11L97Very high88.2Confident0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-110.3146.3175.7-55.2-172.3000110.5L59 Q60 I61 W62 G83 F162 M165 I169L11-L59 HydrophobicContact CD1-CD1 4.27Å; L11-L59 HydrophobicContact CD1-CD2 4.23Å; L11-Q60 PolarHBondContact N-O 3.42Å; L11-I61 HydrophobicContact CB-CG1 4.31Å; L11-I61 HydrophobicContact CB-CG2 4.35Å; L11-I61 HydrophobicContact CD1-CG1 4.32Å; L11-W62 PolarHBondContact O-N 3.18Å; L11-G83 WeakPolarHBondContact CA-O 3.15Å; L11-F162 HydrophobicContact CD1-CD1 4.09Å; L11-M165 HydrophobicContact CD1-CG 4.18Å; L11-M165 HydrophobicContact CD2-CG 3.63Å; L11-I169 HydrophobicContact CD2-CD1 3.35Å
12L95.8Very high90.5Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-125.3131.9175.4-170.967.3000109.6I14 W62 T64 Y78 G83 I84 I85L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.79Å; L12-W62 HydrophobicContact CD1-CB 3.54Å; L12-W62 HydrophobicContact CD1-CG 4.5Å; L12-T64 HydrophobicContact CD1-CG2 3.47Å; L12-T64 VanDerWaalsContact CD1-CG2 3.47Å; L12-T64 HydrophobicContact CG-CG2 4.2Å; L12-Y78 HydrophobicContact CD2-CD1 4.05Å; L12-Y78 HydrophobicContact CD2-CD2 4.16Å; L12-Y78 HydrophobicContact CD2-CE1 4.25Å; L12-Y78 HydrophobicContact CD2-CE2 4.4Å; L12-Y78 HydrophobicContact CD2-CG 4Å; L12-G83 PolarHBondContact N-O 3.08Å; L12-G83 VanDerWaalsContact N-O 3.14Å; L12-I84 HydrophobicContact CB-CG1 4.16Å; L12-I84 HydrophobicContact CB-CG2 4.47Å; L12-I84 WeakPolarHBondContact O-CA 3.19Å; L12-I85 PolarHBondContact O-N 3.38Å
13L96.1Very high92.6Very high1 Ų131.5 Ų31.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-97.4122.3170.3-55.9-177.3000108.9K21 L25 I61 W62 D63 T64 I85 F162L13-K21 HydrophobicContact CB-CB 4.23Å; L13-K21 HydrophobicContact CB-CD 4.37Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 WeakPolarHBondContact CD1-O 3.1Å; L13-L25 HydrophobicContact CD1-CB 3.93Å; L13-I61 HydrophobicContact CD1-CG2 4.31Å; L13-I61 HydrophobicContact CG-CG2 4.1Å; L13-W62 PolarHBondContact N-O 3.41Å; L13-D63 HydrophobicContact CD1-CB 4.5Å; L13-T64 PolarHBondContact O-N 3.48Å; L13-T64 PolarHBondContact O-OG1 3.07Å; L13-I85 HydrophobicContact CD2-CB 3.7Å; L13-I85 HydrophobicContact CD2-CD1 3.85Å; L13-I85 HydrophobicContact CD2-CG1 4.15Å; L13-I85 HydrophobicContact CD2-CG2 4.25Å; L13-F162 HydrophobicContact CD1-CZ 4.36Å; L13-F162 HydrophobicContact CD2-CE1 3.97Å; L13-F162 HydrophobicContact CD2-CZ 4.12Å
14I94.9Very high94Very high0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-128.2164.8175.870.5172.6000110.9L12 K21 Y78 I84 I85 V86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.79Å; I14-K21 WeakPolarHBondContact O-CD 3.45Å; I14-Y78 HydrophobicContact CD1-CE1 4.01Å; I14-Y78 HydrophobicContact CG2-CE1 4.32Å; I14-I84 HydrophobicContact CD1-CG2 3.79Å; I14-I84 HydrophobicContact CG1-CG2 3.83Å; I14-I84 HydrophobicContact CG2-CG2 4.27Å; I14-I85 PolarHBondContact N-O 2.97Å; I14-V86 HydrophobicContact CD1-CG2 3.99Å; I14-V86 HydrophobicContact CG1-CB 4.32Å; I14-V86 HydrophobicContact CG1-CG1 4.28Å; I14-V86 HydrophobicContact CG1-CG2 3.93Å; I14-V87 PolarHBondContact O-N 3.42Å; I14-W102 HydrophobicContact CB-CE3 4.08Å; I14-W102 HydrophobicContact CB-CZ3 4.39Å; I14-W102 HydrophobicContact CD1-CB 3.91Å; I14-W102 HydrophobicContact CD1-CD2 4.49Å; I14-W102 HydrophobicContact CD1-CE3 4.03Å; I14-W102 HydrophobicContact CD1-CG 4.5Å; I14-W102 HydrophobicContact CG1-CB 4.48Å; I14-W102 HydrophobicContact CG1-CE3 4.37Å; I14-I106 HydrophobicContact CD1-CD1 3.79Å; I14-I106 HydrophobicContact CD1-CG1 3.75Å
15G95.1Very high94.5Very high0 Ų019.8 Ų19.80%012%0.116CC..  trans138170.2-173.900000111.7K21 G66 V87 W102G15-K21 PolarHBondContact O-NZ 2.84Å; G15-G66 VanDerWaalsContact O-CA 3.24Å; G15-G66 WeakPolarHBondContact O-CA 3.48Å; G15-V87 WeakPolarHBondContact CA-O 3.3Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 VanDerWaalsContact O-CZ2 3.29Å; G15-W102 WeakPolarHBondContact O-CZ2 3.18Å
16D93.4Very high94.6Very high20 Ų2018.6 Ų18.611%0.10711%0.114CC..  trans-63.8164.7-174.4-74.2-2.9000113.3V19 K21 R71 N98 W102D16-V19 HydrophobicContact CB-CG1 3.86Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.17Å; D16-K21 PolarHBondContact O-NZ 3.49Å; D16-R71 IonicContact OD1-NH2 3.44Å; D16-R71 PolarHBondContact OD1-NH2 3.31Å; D16-N98 WeakPolarHBondContact OD2-CB 3.35Å; D16-N98 PolarHBondContact OD2-ND2 2.95Å; D16-W102 PolarHBondContact OD1-NE1 2.77Å
17S91.4Very high94.8Very high46 Ų4618.5 Ų18.532%0.32211%0.11SC..THydrogen-bonded Turntrans-63.4139.8174.6-1600000109.8V19 Y37 G66S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.47Å; S17-Y37 PolarHBondContact OG-OH 3.35Å; S17-G66 PolarHBondContact N-O 3.25Å; S17-G66 VanDerWaalsContact N-O 3.1Å
18G92.1Very high94.9Very high29 Ų2918 Ų1830%0.29911%0.109SC..THydrogen-bonded Turntrans82-7.7175.700000116.7G20 Y37 K122G18-G20 PolarHBondContact O-N 3.45Å; G18-Y37 PolarHBondContact N-OH 3.36Å; G18-K122 WeakPolarHBondContact O-CE 3.23Å; G18-K122 PolarHBondContact O-NZ 2.63Å
19V95.6Very high94.7Very high1 Ų116.4 Ų16.41%0.00610%0.104CC..SBendtrans-69.6-15.1178.9-54.60000113.9D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.86Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.17Å; S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.47Å; V19-K21 HydrophobicContact CG2-CD 4.39Å; V19-K21 HydrophobicContact CG2-CG 3.75Å; V19-V87 HydrophobicContact CB-CG1 4.38Å; V19-V87 HydrophobicContact CG2-CB 4Å; V19-V87 HydrophobicContact CG2-CG1 3.86Å; V19-D89 HydrophobicContact CB-CB 4.25Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; V19-N121 PolarHBondContact O-ND2 3.15Å
20G94.9Very high94.4Very high13 Ų1319.7 Ų19.713%0.13412%0.122CC..  trans99.426172.800000116G18 C23 L24G18-G20 PolarHBondContact O-N 3.45Å; G20-C23 PolarHBondContact O-N 2.68Å; G20-L24 WeakPolarHBondContact O-CG 3.22Å; G20-L24 PolarHBondContact O-N 3.26Å
21K95.2Very high94.1Very high8 Ų823.6 Ų23.64%0.03514%0.144CC..Hα-helixtrans-54-51.4174.8-58.1-175.6-60.8-74.40112.7L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87L13-K21 HydrophobicContact CB-CB 4.23Å; L13-K21 HydrophobicContact CB-CD 4.37Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 WeakPolarHBondContact CD1-O 3.1Å; I14-K21 WeakPolarHBondContact O-CD 3.45Å; G15-K21 PolarHBondContact O-NZ 2.84Å; D16-K21 PolarHBondContact O-NZ 3.49Å; V19-K21 HydrophobicContact CG2-CD 4.39Å; V19-K21 HydrophobicContact CG2-CG 3.75Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 2.64Å; K21-L24 WeakPolarHBondContact O-CB 3.26Å; K21-L24 PolarHBondContact O-N 3.44Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-L25 PolarHBondContact O-N 3.09Å; K21-D63 WeakPolarHBondContact CB-OD1 3.13Å; K21-T64 WeakPolarHBondContact CE-O 3.31Å; K21-V87 HydrophobicContact CG-CB 3.97Å; K21-V87 HydrophobicContact CG-CG1 4.49Å; K21-V87 HydrophobicContact CG-CG2 4.05Å
22S93.8Very high93.6Very high31 Ų3126.9 Ų26.922%0.21716%0.164CC..Hα-helixtrans-62.5-38.3177.8-39.50000112L25 L26 T40 D63S22-L25 PolarHBondContact O-N 3.1Å; S22-L26 WeakPolarHBondContact O-CB 2.87Å; S22-L26 VanDerWaalsContact O-CG 3.31Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 2.85Å; S22-T40 PolarHBondContact OG-OG1 3.04Å; S22-D63 WeakPolarHBondContact CA-OD2 3.35Å; S22-D63 VanDerWaalsContact CB-OD2 3.23Å; S22-D63 WeakPolarHBondContact CB-OD2 3.39Å; S22-D63 PolarHBondContact N-OD1 3.42Å; S22-D63 PolarHBondContact OG-OD2 3.25Å
23C94.6Very high93.2Very high34 Ų3430.9 Ų30.923%0.2318%0.18CC..Hα-helixtrans-66.3-38.8176.3-56.90000111.8G20 K21 R27 Y33 A152G20-C23 PolarHBondContact O-N 2.68Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 2.64Å; C23-R27 WeakPolarHBondContact O-CB 3.38Å; C23-R27 PolarHBondContact O-N 3.19Å; C23-Y33 HydrophobicContact CB-CD2 4.36Å; C23-Y33 HydrophobicContact CB-CE2 4.36Å; C23-A152 HydrophobicContact CB-CB 3.62Å
24L96.2Very high92.6Very high6 Ų634 Ų343%0.03120%0.199CC..Hα-helixtrans-64-43172.9-74171000111.2G20 K21 F28 V87 V119 N121 A152 V158G20-L24 WeakPolarHBondContact O-CG 3.22Å; G20-L24 PolarHBondContact O-N 3.26Å; K21-L24 WeakPolarHBondContact O-CB 3.26Å; K21-L24 PolarHBondContact O-N 3.44Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 2.83Å; L24-V87 HydrophobicContact CD1-CG1 3.85Å; L24-V87 HydrophobicContact CD1-CG2 4.1Å; L24-V119 HydrophobicContact CD1-CG1 4.07Å; L24-N121 HydrophobicContact CD1-CB 4.25Å; L24-A152 HydrophobicContact CD2-CB 4Å; L24-A152 HydrophobicContact CG-CB 4.25Å; L24-V158 HydrophobicContact CD2-CB 4.47Å; L24-V158 HydrophobicContact CD2-CG1 4.17Å; L24-V158 HydrophobicContact CD2-CG2 3.71Å
25L95.2Very high91.7Very high1 Ų140.6 Ų40.61%0.00523%0.23CC..Hα-helixtrans-61.3-49.4176.6-178.856.7000111.8L13 K21 S22 F28 A29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 3.93Å; K21-L25 PolarHBondContact O-N 3.09Å; S22-L25 PolarHBondContact O-N 3.1Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-A29 VanDerWaalsContact O-CB 3.26Å; L25-A29 WeakPolarHBondContact O-CB 3.33Å; L25-A29 PolarHBondContact O-N 3.37Å; L25-K46 HydrophobicContact CD1-CB 3.93Å; L25-K46 HydrophobicContact CD1-CG 4.28Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-K46 HydrophobicContact CD2-CG 3.92Å; L25-K46 HydrophobicContact CG-CB 4.23Å; L25-K46 HydrophobicContact CG-CG 4.02Å; L25-I61 HydrophobicContact CD1-CB 3.73Å; L25-I61 HydrophobicContact CD1-CD1 4.04Å; L25-I61 HydrophobicContact CD1-CG1 4.49Å; L25-I61 HydrophobicContact CD1-CG2 3.55Å; L25-D63 HydrophobicContact CD2-CB 3.53Å
26L93.1Very high90.7Very high47 Ų4744.3 Ų44.325%0.24626%0.256CS..Hα-helixtrans-64.9-41.7179.7-71.1173000111.8S22 F28 A29 D30 D31 T32S22-L26 WeakPolarHBondContact O-CB 2.87Å; S22-L26 VanDerWaalsContact O-CG 3.31Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 2.85Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.09Å; L26-A29 PolarHBondContact O-N 3.07Å; L26-D30 WeakPolarHBondContact O-CA 3.47Å; L26-D30 PolarHBondContact O-N 2.9Å; L26-D31 PolarHBondContact O-N 3.35Å; L26-T32 CarbonylContact C-O 3.59Å
27R95.3Very high89.4Confident42 Ų4250.1 Ų50.116%0.15828%0.277CS..Hα-helixtrans-62-41.4175.8176.256.372.1-171.13.6111.2C23 D31 T32 A152 K153 A155 V158C23-R27 WeakPolarHBondContact O-CB 3.38Å; C23-R27 PolarHBondContact O-N 3.19Å; R27-D31 WeakPolarHBondContact CD-OD1 3.36Å; R27-D31 IonicContact CZ-OD1 3.01Å; R27-D31 VanDerWaalsContact NH1-C 3.31Å; R27-D31 PolarHBondContact NH1-O 3.09Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.01Å; R27-D31 VanDerWaalsContact O-CA 3.29Å; R27-D31 WeakPolarHBondContact O-CA 3.37Å; R27-D31 PolarHBondContact O-N 3.16Å; R27-T32 VanDerWaalsContact CA-O 3.31Å; R27-T32 WeakPolarHBondContact CA-O 3.43Å; R27-T32 PolarHBondContact N-O 2.98Å; R27-A152 HydrophobicContact CB-CB 4.48Å; R27-A152 PolarHBondContact NE-O 3.18Å; R27-K153 PolarHBondContact NH2-O 3.23Å; R27-A155 HydrophobicContact CG-CB 4.23Å; R27-V158 HydrophobicContact CB-CG1 4.21Å; R27-V158 HydrophobicContact CG-CB 4.15Å; R27-V158 HydrophobicContact CG-CG1 3.89Å; R27-V158 HydrophobicContact CG-CG2 4.03Å
28F95.6Very high88.6Confident4 Ų454.4 Ų54.42%0.01830%0.295CS..Hα-helixtrans-72.8-45.5177.1-178.2-106.1000112.3L24 L25 L26 R48 I50 L59 I61 V158 E159 F162L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 2.83Å; L25-F28 PolarHBondContact O-N 3.37Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.09Å; F28-R48 HydrophobicContact CE1-CB 3.98Å; F28-R48 HydrophobicContact CE1-CG 4.14Å; F28-R48 HydrophobicContact CZ-CG 4.46Å; F28-R48 VanDerWaalsContact O-CD 3.26Å; F28-R48 WeakPolarHBondContact O-CD 3.45Å; F28-R48 PolarHBondContact O-NH1 2.76Å; F28-I50 HydrophobicContact CZ-CG2 4.08Å; F28-L59 HydrophobicContact CE1-CD1 4.03Å; F28-L59 HydrophobicContact CZ-CD1 3.98Å; F28-I61 HydrophobicContact CD1-CD1 3.6Å; F28-I61 HydrophobicContact CE1-CD1 3.57Å; F28-V158 HydrophobicContact CB-CG1 4Å; F28-E159 VanDerWaalsContact CD2-OE2 3.31Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.44Å; F28-E159 VanDerWaalsContact CE2-OE2 3.27Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.34Å; F28-F162 HydrophobicContact CB-CD2 3.68Å; F28-F162 HydrophobicContact CB-CE2 3.5Å; F28-F162 VanDerWaalsContact CB-CE2 3.5Å; F28-F162 HydrophobicContact CB-CZ 4.21Å; F28-F162 HydrophobicContact CD1-CB 4.34Å; F28-F162 HydrophobicContact CD1-CD1 4.15Å; F28-F162 AromaticContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CE1 4.44Å; F28-F162 HydrophobicContact CD1-CE2 4.17Å; F28-F162 AromaticContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.86Å; F28-F162 AromaticContact CD2-CD2 3.36Å; F28-F162 HydrophobicContact CD2-CD2 3.36Å; F28-F162 HydrophobicContact CD2-CE2 4.13Å; F28-F162 AromaticContact CD2-CG 3.79Å; F28-F162 HydrophobicContact CD2-CG 3.79Å; F28-F162 HydrophobicContact CE1-CB 3.97Å; F28-F162 HydrophobicContact CE1-CD1 4.23Å; F28-F162 HydrophobicContact CE1-CD2 4.34Å; F28-F162 AromaticContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE2-CB 3.43Å; F28-F162 VanDerWaalsContact CE2-CB 3.43Å; F28-F162 AromaticContact CE2-CD2 3.91Å; F28-F162 HydrophobicContact CE2-CD2 3.91Å; F28-F162 AromaticContact CE2-CG 3.87Å; F28-F162 HydrophobicContact CE2-CG 3.87Å; F28-F162 HydrophobicContact CG-CB 4.3Å; F28-F162 HydrophobicContact CG-CD1 4.45Å; F28-F162 AromaticContact CG-CD2 3.33Å; F28-F162 HydrophobicContact CG-CD2 3.33Å; F28-F162 AromaticContact CG-CE2 3.68Å; F28-F162 HydrophobicContact CG-CE2 3.68Å; F28-F162 AromaticContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CZ 4.36Å; F28-F162 HydrophobicContact CZ-CB 3.5Å; F28-F162 HydrophobicContact CZ-CD2 4.38Å; F28-F162 AromaticContact CZ-CG 3.95Å; F28-F162 HydrophobicContact CZ-CG 3.95Å
29A91.1Very high87.7Confident26 Ų2655.1 Ų55.122%0.21530%0.296CS..Hα-helixtrans-77.8-40.8-172.500000113.2L25 L26 K46L25-A29 VanDerWaalsContact O-CB 3.26Å; L25-A29 WeakPolarHBondContact O-CB 3.33Å; L25-A29 PolarHBondContact O-N 3.37Å; L26-A29 PolarHBondContact O-N 3.07Å; A29-K46 HydrophobicContact CB-CB 4.02Å; A29-K46 HydrophobicContact CB-CD 4.15Å; A29-K46 HydrophobicContact CB-CG 4.07Å
30D89.6Confident86.6Confident71 Ų7156.6 Ų56.638%0.3831%0.305SS..Hα-helixtrans-121.4-1.4-167.1-53.7-27000112.9L26 T32 K46L26-D30 WeakPolarHBondContact O-CA 3.47Å; L26-D30 PolarHBondContact O-N 2.9Å; D30-T32 HydrophobicContact CB-CG2 4.24Å; D30-T32 WeakPolarHBondContact O-CG2 3.4Å; D30-T32 PolarHBondContact O-N 3.1Å; D30-K46 VanDerWaalsContact CG-NZ 3.25Å; D30-K46 IonicContact OD1-NZ 3.45Å; D30-K46 PolarHBondContact OD1-NZ 2.91Å; D30-K46 IonicContact OD2-NZ 2.78Å; D30-K46 PolarHBondContact OD2-NZ 2.99Å
31D90.1Very high85.4Confident115 Ų11563.4 Ų63.462%0.61534%0.337SS*.SBendtrans50.837.6-170.6-163.324.6000113.8L26 R27L26-D31 PolarHBondContact O-N 3.35Å; R27-D31 WeakPolarHBondContact CD-OD1 3.36Å; R27-D31 IonicContact CZ-OD1 3.01Å; R27-D31 VanDerWaalsContact NH1-C 3.31Å; R27-D31 PolarHBondContact NH1-O 3.09Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.01Å; R27-D31 VanDerWaalsContact O-CA 3.29Å; R27-D31 WeakPolarHBondContact O-CA 3.37Å; R27-D31 PolarHBondContact O-N 3.16Å
32T86.7Confident84.3Confident69 Ų6964 Ų6442%0.42335%0.345SS..  trans-118.1156.3178.760.60000112.2L26 R27 D30L26-T32 CarbonylContact C-O 3.59Å; R27-T32 VanDerWaalsContact CA-O 3.31Å; R27-T32 WeakPolarHBondContact CA-O 3.43Å; R27-T32 PolarHBondContact N-O 2.98Å; D30-T32 HydrophobicContact CB-CG2 4.24Å; D30-T32 WeakPolarHBondContact O-CG2 3.4Å; D30-T32 PolarHBondContact O-N 3.1Å
33Y87.9Confident83.7Confident85 Ų8564.2 Ų64.233%0.33335%0.345SS..  trans-142.8141171.9173.3-96.5000109.7C23 E35 A152 K153C23-Y33 HydrophobicContact CB-CD2 4.36Å; C23-Y33 HydrophobicContact CB-CE2 4.36Å; Y33-E35 HydrophobicContact CE1-CG 3.58Å; Y33-A152 HydrophobicContact CD2-CB 4.28Å; Y33-A152 HydrophobicContact CE2-CB 4.46Å; Y33-K153 HydrophobicContact CD1-CG 4.29Å; Y33-K153 HydrophobicContact CD2-CB 4.39Å; Y33-K153 HydrophobicContact CE1-CB 4.14Å; Y33-K153 HydrophobicContact CE1-CD 4.19Å; Y33-K153 HydrophobicContact CE1-CG 3.82Å; Y33-K153 HydrophobicContact CE2-CB 3.95Å
34T82.1Confident83.3Confident65 Ų6566.1 Ų66.140%0.39935%0.353SS..  trans-129.2137.3174.3-176.70000109.5S36T34-S36 VanDerWaalsContact C-N 3.28Å; T34-S36 PolarHBondContact OG1-N 3.13Å
35E77.3Confident82.9Confident139 Ų13969.2 Ų69.265%0.6537%0.366SS*.  trans-78.3-17.6173.1-68.2-167.9159.900112.1Y33 Y37 K153Y33-E35 HydrophobicContact CE1-CG 3.58Å; E35-Y37 PolarHBondContact O-N 3.3Å; E35-K153 IonicContact OE1-NZ 2.76Å; E35-K153 PolarHBondContact OE1-NZ 2.71Å
36S74.6Confident82.8Confident79 Ų7971.9 Ų71.955%0.55238%0.378SS*.  trans-66.5107177.8-62.80000109.9T34 I38T34-S36 VanDerWaalsContact C-N 3.28Å; T34-S36 PolarHBondContact OG1-N 3.13Å; S36-I38 PolarHBondContact O-N 3.42Å
37Y65.5Low82.8Confident141 Ų14173.3 Ų73.355%0.55339%0.385SS*.  trans-71.7100.3172.1-179.9-105.7000109.9S17 G18 E35 S39S17-Y37 PolarHBondContact OG-OH 3.35Å; G18-Y37 PolarHBondContact N-OH 3.36Å; E35-Y37 PolarHBondContact O-N 3.3Å; Y37-S39 WeakPolarHBondContact CE1-OG 3.37Å; Y37-S39 PolarHBondContact OH-OG 2.95Å
38I73.9Confident82.8Confident136 Ų13674.5 Ų74.570%0.69739%0.389SS*.PPolyproline II helixtrans-102.6117.6168.1-56.4176.9000106.5S36 T40S36-I38 PolarHBondContact O-N 3.42Å; I38-T40 PolarHBondContact O-N 3.11Å
39S74.4Confident82.8Confident45 Ų4578 Ų7832%0.31541%0.411SS..PPolyproline II helixtrans-64.8127.9176.5-67.90000110Y37 I41Y37-S39 WeakPolarHBondContact CE1-OG 3.37Å; Y37-S39 PolarHBondContact OH-OG 2.95Å; S39-I41 PolarHBondContact O-N 2.94Å
40T71.2Confident83Confident32 Ų3277.3 Ų77.320%0.19640%0.403CS..PPolyproline II helixtrans-61121.4173.8-45.20000109.7S22 I38 D44 D63 A65S22-T40 PolarHBondContact OG-OG1 3.04Å; I38-T40 PolarHBondContact O-N 3.11Å; T40-D44 HydrophobicContact CG2-CB 4.46Å; T40-D63 PolarHBondContact OG1-OD2 2.74Å; T40-A65 WeakPolarHBondContact O-CB 3.41Å
41I70.9Confident83.2Confident156 Ų15680.7 Ų80.780%0.842%0.417SS*.  trans-90.1108.3173.1-58.8176.4000107.2S39 V43S39-I41 PolarHBondContact O-N 2.94Å; I41-V43 PolarHBondContact O-N 3.42Å
42G71.2Confident83.4Confident21 Ų2175.9 Ų75.922%0.21639%0.391CS..SBendtrans77.4-114.7-178.900000112.8A65G42-A65 VanDerWaalsContact O-CB 3.28Å; G42-A65 WeakPolarHBondContact O-CB 3.22Å; G42-A65 PolarHBondContact O-N 3.28Å
43V81.1Confident83.6Confident35 Ų3579.1 Ų79.121%0.21241%0.406CS..EExtended strand (participates in β ladder)trans-139.9134.4-174.9-179.80000109.5I41 W62 D63 T64 Y77I41-V43 PolarHBondContact O-N 3.42Å; V43-W62 HydrophobicContact CG1-CB 4.37Å; V43-W62 HydrophobicContact CG1-CE3 3.69Å; V43-W62 HydrophobicContact CG1-CZ3 4.45Å; V43-D63 CarbonylContact C-O 3.56Å; V43-D63 VanDerWaalsContact CA-O 3.25Å; V43-D63 WeakPolarHBondContact CA-O 3.38Å; V43-D63 VanDerWaalsContact CG1-O 3.31Å; V43-D63 WeakPolarHBondContact CG1-O 3.39Å; V43-T64 HydrophobicContact CG2-CG2 4.32Å; V43-Y77 HydrophobicContact CB-CE1 4.21Å; V43-Y77 HydrophobicContact CB-CE2 4.32Å; V43-Y77 HydrophobicContact CG1-CD1 4.13Å; V43-Y77 HydrophobicContact CG1-CE1 3.89Å; V43-Y77 HydrophobicContact CG2-CD2 3.94Å; V43-Y77 HydrophobicContact CG2-CE1 4.22Å; V43-Y77 HydrophobicContact CG2-CE2 3.53Å; V43-Y77 HydrophobicContact CG2-CG 4.43Å
44D85.5Confident83.7Confident73 Ų7377.9 Ų77.939%0.3942%0.419SS..EExtended strand (participates in β ladder)trans-106.8158.7171.4-166.517000110.6T40 W62 D63T40-D44 HydrophobicContact CG2-CB 4.46Å; D44-W62 WeakPolarHBondContact O-CA 3.48Å; D44-D63 HydrophobicContact CB-CB 4.38Å; D44-D63 PolarHBondContact N-O 3.35Å; D44-D63 PolarHBondContact O-N 3.34Å
45F88.1Confident84.2Confident71 Ų7178.2 Ų78.231%0.31142%0.415SS..EExtended strand (participates in β ladder)trans-142.6126.5-171.9175.5-102.9000112I47 Q60 I61 W62F45-I47 HydrophobicContact CD1-CG1 4.47Å; F45-I47 HydrophobicContact CE1-CD1 3.65Å; F45-I47 HydrophobicContact CE1-CG1 3.47Å; F45-I47 VanDerWaalsContact CE1-CG1 3.47Å; F45-I47 HydrophobicContact CE2-CG1 4.46Å; F45-I47 HydrophobicContact CZ-CD1 3.77Å; F45-I47 HydrophobicContact CZ-CG1 3.47Å; F45-I47 VanDerWaalsContact CZ-CG1 3.47Å; F45-Q60 HydrophobicContact CE2-CB 3.73Å; F45-Q60 HydrophobicContact CE2-CG 4.02Å; F45-Q60 HydrophobicContact CZ-CB 4.03Å; F45-Q60 HydrophobicContact CZ-CG 3.78Å; F45-I61 WeakPolarHBondContact CA-O 3.31Å; F45-W62 HydrophobicContact CB-CE3 4.15Å; F45-W62 HydrophobicContact CB-CZ3 4.24Å; F45-W62 AromaticContact CD2-CD2 3.59Å; F45-W62 HydrophobicContact CD2-CD2 3.59Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 AromaticContact CD2-CE3 3.89Å; F45-W62 HydrophobicContact CD2-CE3 3.89Å; F45-W62 HydrophobicContact CD2-CG 4.05Å; F45-W62 HydrophobicContact CD2-CH2 4.14Å; F45-W62 AromaticContact CD2-CZ2 3.82Å; F45-W62 HydrophobicContact CD2-CZ2 3.82Å; F45-W62 HydrophobicContact CD2-CZ3 4.14Å; F45-W62 AromaticContact CD2-NE1 3.82Å; F45-W62 HydrophobicContact CE2-CD2 4.2Å; F45-W62 AromaticContact CE2-CE2 3.65Å; F45-W62 AromaticContact CE2-CZ2 3.85Å; F45-W62 HydrophobicContact CE2-CZ2 3.85Å; F45-W62 AromaticContact CE2-NE1 3.65Å; F45-W62 HydrophobicContact CG-CE3 4.38Å; F45-W62 HydrophobicContact CG-CZ3 4.39Å
46K93Very high85.1Confident57 Ų5773.9 Ų73.925%0.24840%0.398CS..EExtended strand (participates in β ladder)trans-127.8150.9174-69.7-79.8-172.2154.40111.2L25 A29 D30 I61L25-K46 HydrophobicContact CD1-CB 3.93Å; L25-K46 HydrophobicContact CD1-CG 4.28Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-K46 HydrophobicContact CD2-CG 3.92Å; L25-K46 HydrophobicContact CG-CB 4.23Å; L25-K46 HydrophobicContact CG-CG 4.02Å; A29-K46 HydrophobicContact CB-CB 4.02Å; A29-K46 HydrophobicContact CB-CD 4.15Å; A29-K46 HydrophobicContact CB-CG 4.07Å; D30-K46 VanDerWaalsContact CG-NZ 3.25Å; D30-K46 IonicContact OD1-NZ 3.45Å; D30-K46 PolarHBondContact OD1-NZ 2.91Å; D30-K46 IonicContact OD2-NZ 2.78Å; D30-K46 PolarHBondContact OD2-NZ 2.99Å; K46-I61 PolarHBondContact N-O 2.91Å; K46-I61 PolarHBondContact O-N 3.5Å
47I94.1Very high86.1Confident77 Ų7770.1 Ų70.140%0.39537%0.372SS..EExtended strand (participates in β ladder)trans-116.7130.1173.1-63-178.7000108.3F45 K58 L59 Q60F45-I47 HydrophobicContact CD1-CG1 4.47Å; F45-I47 HydrophobicContact CE1-CD1 3.65Å; F45-I47 HydrophobicContact CE1-CG1 3.47Å; F45-I47 VanDerWaalsContact CE1-CG1 3.47Å; F45-I47 HydrophobicContact CE2-CG1 4.46Å; F45-I47 HydrophobicContact CZ-CD1 3.77Å; F45-I47 HydrophobicContact CZ-CG1 3.47Å; F45-I47 VanDerWaalsContact CZ-CG1 3.47Å; I47-K58 HydrophobicContact CG2-CD 4.25Å; I47-K58 HydrophobicContact CG2-CG 3.81Å; I47-L59 VanDerWaalsContact CA-O 3.26Å; I47-L59 WeakPolarHBondContact CA-O 3.34Å; I47-Q60 HydrophobicContact CD1-CG 4.47Å; I47-Q60 HydrophobicContact CG1-CG 4.26Å
48R94.5Very high87.5Confident67 Ų6766 Ų6625%0.25336%0.357SS..EExtended strand (participates in β ladder)trans-133.9131.9169.1-175.9165.1173.2-146.3-12.8109.5F28 I50 L59 E159F28-R48 HydrophobicContact CE1-CB 3.98Å; F28-R48 HydrophobicContact CE1-CG 4.14Å; F28-R48 HydrophobicContact CZ-CG 4.46Å; F28-R48 VanDerWaalsContact O-CD 3.26Å; F28-R48 WeakPolarHBondContact O-CD 3.45Å; F28-R48 PolarHBondContact O-NH1 2.76Å; R48-I50 HydrophobicContact CG-CG2 4.33Å; R48-L59 PolarHBondContact N-O 3.11Å; R48-L59 WeakPolarHBondContact O-CA 3.45Å; R48-L59 WeakPolarHBondContact O-CB 3.39Å; R48-L59 PolarHBondContact O-N 2.78Å; R48-E159 IonicContact CZ-OE1 2.87Å; R48-E159 IonicContact CZ-OE2 3.5Å; R48-E159 IonicContact NH1-OE1 3.79Å; R48-E159 IonicContact NH1-OE2 3.51Å; R48-E159 PolarHBondContact NH1-OE2 2.92Å; R48-E159 IonicContact NH2-OE1 2.75Å; R48-E159 PolarHBondContact NH2-OE1 3.28Å; R48-E159 IonicContact NH2-OE2 2.77Å; R48-E159 PolarHBondContact NH2-OE2 3.16Å
49T95.2Very high88.6Confident77 Ų7759.6 Ų59.647%0.47232%0.324SS..EExtended strand (participates in β ladder)trans-93.9131.7172.9-57.90000108.6T56 I57T49-T56 HydrophobicContact CG2-CG2 3.38Å; T49-I57 CarbonylContact C-O 3.6Å; T49-I57 WeakPolarHBondContact CA-O 3.5Å
50I95.3Very high89.7Confident12 Ų1259.9 Ų59.96%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-123.8160.7177.562.1167.3000109.8F28 R48 L52 I57 L59 M163 A166F28-I50 HydrophobicContact CZ-CG2 4.08Å; R48-I50 HydrophobicContact CG-CG2 4.33Å; I50-L52 HydrophobicContact CD1-CD1 4.45Å; I50-I57 HydrophobicContact CD1-CB 4.45Å; I50-I57 HydrophobicContact CG1-CB 3.92Å; I50-I57 PolarHBondContact N-O 2.66Å; I50-I57 PolarHBondContact O-N 3Å; I50-L59 HydrophobicContact CD1-CD1 3.79Å; I50-L59 HydrophobicContact CD1-CD2 4.45Å; I50-L59 HydrophobicContact CD1-CG 4.18Å; I50-L59 HydrophobicContact CG1-CD1 4.2Å; I50-L59 HydrophobicContact CG1-CG 4.25Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I50-M163 HydrophobicContact CB-SD 4.14Å; I50-M163 HydrophobicContact CD1-CE 4.38Å; I50-M163 HydrophobicContact CD1-SD 3.44Å; I50-M163 WeakPolarHBondContact CD1-SD 3.43Å; I50-M163 HydrophobicContact CG1-SD 4.34Å; I50-M163 HydrophobicContact CG2-SD 4.27Å; I50-A166 HydrophobicContact CD1-CB 3.75Å
51E94.8Very high90.9Very high142 Ų14258.4 Ų58.466%0.66431%0.311SS*.EExtended strand (participates in β ladder)trans-109.2128.7170.6-166.6-176.9162.700109.3K55E51-K55 WeakPolarHBondContact CA-O 3.4Å
52L93.5Very high92Very high15 Ų1553.9 Ų53.98%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-143.7114.8-177.2-167.1147.5000110.6I50 G54 K55 I57 M163 A166 A167 K170I50-L52 HydrophobicContact CD1-CD1 4.45Å; L52-G54 PolarHBondContact O-N 3.19Å; L52-K55 PolarHBondContact N-O 3.14Å; L52-K55 WeakPolarHBondContact O-CB 3.49Å; L52-K55 PolarHBondContact O-N 3.45Å; L52-I57 HydrophobicContact CB-CD1 3.79Å; L52-I57 HydrophobicContact CD2-CD1 4.34Å; L52-I57 HydrophobicContact CG-CD1 4.48Å; L52-M163 HydrophobicContact CB-CE 4.42Å; L52-M163 HydrophobicContact CD1-CE 3.89Å; L52-M163 HydrophobicContact CD1-SD 4.45Å; L52-M163 HydrophobicContact CG-CE 4.38Å; L52-A166 HydrophobicContact CD1-CB 4.07Å; L52-A167 HydrophobicContact CD1-CB 4.13Å; L52-A167 HydrophobicContact CD2-CB 4.41Å; L52-K170 HydrophobicContact CD2-CD 3.54Å; L52-K170 PolarHBondContact O-NZ 2.81Å
53D91.4Very high92.9Very high136 Ų13652.9 Ų52.973%0.72727%0.274SS*.THydrogen-bonded Turntrans45.653.6-168.9-27.2-57.9000113.5K55 K170D53-K55 PolarHBondContact O-N 3.44Å; D53-K170 VanDerWaalsContact CB-NZ 3.3Å; D53-K170 IonicContact OD2-NZ 2.71Å; D53-K170 PolarHBondContact OD2-NZ 3.02Å
54G90.5Very high93.2Very high59 Ų5951.3 Ų51.361%0.60826%0.264SS*.THydrogen-bonded Turntrans6618.9178.800000114.4L52L52-G54 PolarHBondContact O-N 3.19Å
55K93.2Very high92.9Very high72 Ų7248 Ų4831%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-117.5133.6176-64.4-67.4-174.6-174.60110.4D6 Y7 E51 L52 D53D6-K55 HydrophobicContact CB-CB 4.28Å; D6-K55 HydrophobicContact CB-CD 3.89Å; D6-K55 VanDerWaalsContact OD1-CD 3.26Å; D6-K55 WeakPolarHBondContact OD1-CD 3.32Å; D6-K55 IonicContact OD1-NZ 2.66Å; D6-K55 PolarHBondContact OD1-NZ 2.98Å; D6-K55 WeakPolarHBondContact OD2-CA 3.3Å; Y7-K55 HydrophobicContact CD2-CB 4.21Å; Y7-K55 HydrophobicContact CE2-CB 4.01Å; Y7-K55 HydrophobicContact CE2-CD 4.17Å; Y7-K55 HydrophobicContact CE2-CG 3.98Å; E51-K55 WeakPolarHBondContact CA-O 3.4Å; L52-K55 PolarHBondContact N-O 3.14Å; L52-K55 WeakPolarHBondContact O-CB 3.49Å; L52-K55 PolarHBondContact O-N 3.45Å; D53-K55 PolarHBondContact O-N 3.44Å
56T94.9Very high91.9Very high49 Ų4945 Ų4530%0.30124%0.236SC..EExtended strand (participates in β ladder)trans-85.4115.6176.5-59.90000109D6 Y7 T49D6-T56 PolarHBondContact N-O 2.92Å; D6-T56 PolarHBondContact OD2-N 2.99Å; Y7-T56 PolarHBondContact N-O 3Å; T49-T56 HydrophobicContact CG2-CG2 3.38Å
57I95.8Very high90.8Very high0 Ų044.6 Ų44.60%024%0.235CC..EExtended strand (participates in β ladder)trans-114.3121.3-177.3-52-176.7000109Y7 F9 T49 I50 L52 L59 K170Y7-I57 HydrophobicContact CD2-CG1 4.1Å; F9-I57 HydrophobicContact CD2-CG2 3.48Å; F9-I57 VanDerWaalsContact CD2-CG2 3.48Å; F9-I57 HydrophobicContact CE2-CD1 3.89Å; F9-I57 HydrophobicContact CE2-CG2 3.66Å; F9-I57 HydrophobicContact CG-CG2 4.05Å; F9-I57 HydrophobicContact CZ-CD1 4.45Å; F9-I57 HydrophobicContact CZ-CG2 4.33Å; T49-I57 CarbonylContact C-O 3.6Å; T49-I57 WeakPolarHBondContact CA-O 3.5Å; I50-I57 HydrophobicContact CD1-CB 4.45Å; I50-I57 HydrophobicContact CG1-CB 3.92Å; I50-I57 PolarHBondContact N-O 2.66Å; I50-I57 PolarHBondContact O-N 3Å; L52-I57 HydrophobicContact CB-CD1 3.79Å; L52-I57 HydrophobicContact CD2-CD1 4.34Å; L52-I57 HydrophobicContact CG-CD1 4.48Å; I57-L59 HydrophobicContact CG2-CD2 3.79Å; I57-K170 HydrophobicContact CD1-CD 4.27Å
58K96.2Very high89.1Confident55 Ų5548.1 Ų48.124%0.23925%0.25CC..EExtended strand (participates in β ladder)trans-89.5114.2172.4-169.1168.2-171.6169.30109.3Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.23Å; Y5-K58 HydrophobicContact CD1-CD 3.84Å; Y5-K58 HydrophobicContact CD2-CB 4.36Å; Y5-K58 HydrophobicContact CE1-CD 3.93Å; Y5-K58 HydrophobicContact CG-CB 4Å; Y5-K58 HydrophobicContact CG-CD 4.45Å; Y7-K58 PolarHBondContact O-N 2.82Å; L8-K58 WeakPolarHBondContact CA-O 3.33Å; L8-K58 HydrophobicContact CD1-CB 3.84Å; L8-K58 HydrophobicContact CD1-CD 4.07Å; L8-K58 HydrophobicContact CD1-CG 3.84Å; F9-K58 PolarHBondContact N-O 3.1Å; I47-K58 HydrophobicContact CG2-CD 4.25Å; I47-K58 HydrophobicContact CG2-CG 3.81Å
59L96.9Very high87.5Confident0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-92.3130.1175.3-57.4-178.5000109.9F9 L11 F28 I47 R48 I50 I57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.9Å; F9-L59 HydrophobicContact CD2-CD2 4.06Å; F9-L59 HydrophobicContact CG-CD2 4.44Å; F9-L59 WeakPolarHBondContact O-CA 3.37Å; L11-L59 HydrophobicContact CD1-CD1 4.27Å; L11-L59 HydrophobicContact CD1-CD2 4.23Å; F28-L59 HydrophobicContact CE1-CD1 4.03Å; F28-L59 HydrophobicContact CZ-CD1 3.98Å; I47-L59 VanDerWaalsContact CA-O 3.26Å; I47-L59 WeakPolarHBondContact CA-O 3.34Å; R48-L59 PolarHBondContact N-O 3.11Å; R48-L59 WeakPolarHBondContact O-CA 3.45Å; R48-L59 WeakPolarHBondContact O-CB 3.39Å; R48-L59 PolarHBondContact O-N 2.78Å; I50-L59 HydrophobicContact CD1-CD1 3.79Å; I50-L59 HydrophobicContact CD1-CD2 4.45Å; I50-L59 HydrophobicContact CD1-CG 4.18Å; I50-L59 HydrophobicContact CG1-CD1 4.2Å; I50-L59 HydrophobicContact CG1-CG 4.25Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I57-L59 HydrophobicContact CG2-CD2 3.79Å; L59-I61 HydrophobicContact CB-CD1 4.27Å; L59-I61 HydrophobicContact CB-CG1 4.07Å; L59-A166 HydrophobicContact CD2-CB 4.21Å
60Q96.2Very high85.9Confident52 Ų5253 Ų5324%0.24326%0.261CS..EExtended strand (participates in β ladder)trans-110.7102.5172.8-80.4-169.2-23.400107.7L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.76Å; F9-Q60 PolarHBondContact O-N 3.18Å; K10-Q60 CarbonylContact C-O 3.52Å; K10-Q60 WeakPolarHBondContact CA-O 3.43Å; L11-Q60 PolarHBondContact N-O 3.42Å; F45-Q60 HydrophobicContact CE2-CB 3.73Å; F45-Q60 HydrophobicContact CE2-CG 4.02Å; F45-Q60 HydrophobicContact CZ-CB 4.03Å; F45-Q60 HydrophobicContact CZ-CG 3.78Å; I47-Q60 HydrophobicContact CD1-CG 4.47Å; I47-Q60 HydrophobicContact CG1-CG 4.26Å
61I95.9Very high84.5Confident0 Ų054.8 Ų54.80%027%0.267CS..EExtended strand (participates in β ladder)trans-109.5120.4-168.9-47.8171.2000109L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.31Å; L11-I61 HydrophobicContact CB-CG2 4.35Å; L11-I61 HydrophobicContact CD1-CG1 4.32Å; L13-I61 HydrophobicContact CD1-CG2 4.31Å; L13-I61 HydrophobicContact CG-CG2 4.1Å; L25-I61 HydrophobicContact CD1-CB 3.73Å; L25-I61 HydrophobicContact CD1-CD1 4.04Å; L25-I61 HydrophobicContact CD1-CG1 4.49Å; L25-I61 HydrophobicContact CD1-CG2 3.55Å; F28-I61 HydrophobicContact CD1-CD1 3.6Å; F28-I61 HydrophobicContact CE1-CD1 3.57Å; F45-I61 WeakPolarHBondContact CA-O 3.31Å; K46-I61 PolarHBondContact N-O 2.91Å; K46-I61 PolarHBondContact O-N 3.5Å; L59-I61 HydrophobicContact CB-CD1 4.27Å; L59-I61 HydrophobicContact CB-CG1 4.07Å; I61-F162 HydrophobicContact CD1-CD1 3.9Å; I61-F162 HydrophobicContact CD1-CE1 3.85Å; I61-F162 HydrophobicContact CG2-CE1 4Å
62W93.9Very high82.9Confident61 Ų6153.7 Ų53.723%0.23127%0.27CS..EExtended strand (participates in β ladder)trans-101.6119.1179-62.183.4000109L11 L12 L13 V43 D44 F45 Y77L11-W62 PolarHBondContact O-N 3.18Å; L12-W62 HydrophobicContact CD1-CB 3.54Å; L12-W62 HydrophobicContact CD1-CG 4.5Å; L13-W62 PolarHBondContact N-O 3.41Å; V43-W62 HydrophobicContact CG1-CB 4.37Å; V43-W62 HydrophobicContact CG1-CE3 3.69Å; V43-W62 HydrophobicContact CG1-CZ3 4.45Å; D44-W62 WeakPolarHBondContact O-CA 3.48Å; F45-W62 HydrophobicContact CB-CE3 4.15Å; F45-W62 HydrophobicContact CB-CZ3 4.24Å; F45-W62 AromaticContact CD2-CD2 3.59Å; F45-W62 HydrophobicContact CD2-CD2 3.59Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 AromaticContact CD2-CE3 3.89Å; F45-W62 HydrophobicContact CD2-CE3 3.89Å; F45-W62 HydrophobicContact CD2-CG 4.05Å; F45-W62 HydrophobicContact CD2-CH2 4.14Å; F45-W62 AromaticContact CD2-CZ2 3.82Å; F45-W62 HydrophobicContact CD2-CZ2 3.82Å; F45-W62 HydrophobicContact CD2-CZ3 4.14Å; F45-W62 AromaticContact CD2-NE1 3.82Å; F45-W62 HydrophobicContact CE2-CD2 4.2Å; F45-W62 AromaticContact CE2-CE2 3.65Å; F45-W62 AromaticContact CE2-CZ2 3.85Å; F45-W62 HydrophobicContact CE2-CZ2 3.85Å; F45-W62 AromaticContact CE2-NE1 3.65Å; F45-W62 HydrophobicContact CG-CE3 4.38Å; F45-W62 HydrophobicContact CG-CZ3 4.39Å; W62-Y77 AromaticContact CD2-CD1 4Å; W62-Y77 HydrophobicContact CD2-CD1 4Å; W62-Y77 HydrophobicContact CD2-CE1 4.39Å; W62-Y77 AromaticContact CE3-CD1 3.57Å; W62-Y77 HydrophobicContact CE3-CD1 3.57Å; W62-Y77 AromaticContact CE3-CE1 3.53Å; W62-Y77 HydrophobicContact CE3-CE1 3.53Å; W62-Y77 HydrophobicContact CH2-CE1 4.24Å; W62-Y77 AromaticContact CZ3-CD1 3.9Å; W62-Y77 HydrophobicContact CZ3-CD1 3.9Å; W62-Y77 AromaticContact CZ3-CE1 3.45Å; W62-Y77 HydrophobicContact CZ3-CE1 3.45Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.45Å
63D91.5Very high81.6Confident1 Ų157.3 Ų57.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-97.1123.2172.4174.846.8000109.9L13 K21 S22 L25 T40 V43 D44L13-D63 HydrophobicContact CD1-CB 4.5Å; K21-D63 WeakPolarHBondContact CB-OD1 3.13Å; S22-D63 WeakPolarHBondContact CA-OD2 3.35Å; S22-D63 VanDerWaalsContact CB-OD2 3.23Å; S22-D63 WeakPolarHBondContact CB-OD2 3.39Å; S22-D63 PolarHBondContact N-OD1 3.42Å; S22-D63 PolarHBondContact OG-OD2 3.25Å; L25-D63 HydrophobicContact CD2-CB 3.53Å; T40-D63 PolarHBondContact OG1-OD2 2.74Å; V43-D63 CarbonylContact C-O 3.56Å; V43-D63 VanDerWaalsContact CA-O 3.25Å; V43-D63 WeakPolarHBondContact CA-O 3.38Å; V43-D63 VanDerWaalsContact CG1-O 3.31Å; V43-D63 WeakPolarHBondContact CG1-O 3.39Å; D44-D63 HydrophobicContact CB-CB 4.38Å; D44-D63 PolarHBondContact N-O 3.35Å; D44-D63 PolarHBondContact O-N 3.34Å
64T86.4Confident80.5Confident1 Ų150.9 Ų50.91%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-102.3147.5-177.769.90000112.5L12 L13 K21 V43 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.47Å; L12-T64 VanDerWaalsContact CD1-CG2 3.47Å; L12-T64 HydrophobicContact CG-CG2 4.2Å; L13-T64 PolarHBondContact O-N 3.48Å; L13-T64 PolarHBondContact O-OG1 3.07Å; K21-T64 WeakPolarHBondContact CE-O 3.31Å; V43-T64 HydrophobicContact CG2-CG2 4.32Å; T64-G66 PolarHBondContact O-N 2.96Å; T64-T74 HydrophobicContact CG2-CG2 3.85Å
65A79.6Confident79.8Confident3 Ų349.8 Ų49.83%0.02524%0.238CC..PPolyproline II helixtrans-56.3129.8164.300000110.5T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.41Å; G42-A65 VanDerWaalsContact O-CB 3.28Å; G42-A65 WeakPolarHBondContact O-CB 3.22Å; G42-A65 PolarHBondContact O-N 3.28Å; A65-Q67 VanDerWaalsContact C-N 3.32Å; A65-F70 HydrophobicContact CB-CB 4.17Å; A65-F70 HydrophobicContact CB-CD2 3.84Å; A65-F70 HydrophobicContact CB-CG 4.34Å
66G67.9Low79.2Confident8 Ų850 Ų508%0.08225%0.249CC..  trans-87.82.1177.400000114.1G15 S17 T64G15-G66 VanDerWaalsContact O-CA 3.24Å; G15-G66 WeakPolarHBondContact O-CA 3.48Å; S17-G66 PolarHBondContact N-O 3.25Å; S17-G66 VanDerWaalsContact N-O 3.1Å; T64-G66 PolarHBondContact O-N 2.96Å
67Q68.7Low78.8Confident50 Ų5050.6 Ų50.623%0.23425%0.246CC..  trans-76.3130.8176.5-71.9-169.419.800110.2A65 R69 F70A65-Q67 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.34Å; Q67-R69 VanDerWaalsContact O-N 3.11Å; Q67-F70 HydrophobicContact CB-CD2 3.97Å; Q67-F70 HydrophobicContact CB-CE2 4.46Å; Q67-F70 PolarHBondContact O-N 3.38Å
68E59.7Low78.5Confident151 Ų15150.6 Ų50.671%0.70625%0.246SC*.G310 helixtrans-49.3-35.9175.364.9-160.2168.900113.7F70 R71E68-F70 PolarHBondContact O-N 3Å; E68-R71 WeakPolarHBondContact O-CB 3.5Å; E68-R71 PolarHBondContact O-N 3.2Å
69R60.6Low78.1Confident186 Ų18657.5 Ų57.570%0.70227%0.27SS*.G310 helixtrans-59.2-21.2176.6-64.7-172.5-65.5-179.1-1.8113.7Q67Q67-R69 PolarHBondContact O-N 3.34Å; Q67-R69 VanDerWaalsContact O-N 3.11Å
70F62.2Low77.7Confident60 Ų6059.2 Ų59.226%0.26329%0.288SS..G310 helixtrans-107.51.6179.4-58.7-57.4000113.8A65 Q67 E68 T72 I73 T74A65-F70 HydrophobicContact CB-CB 4.17Å; A65-F70 HydrophobicContact CB-CD2 3.84Å; A65-F70 HydrophobicContact CB-CG 4.34Å; Q67-F70 HydrophobicContact CB-CD2 3.97Å; Q67-F70 HydrophobicContact CB-CE2 4.46Å; Q67-F70 PolarHBondContact O-N 3.38Å; E68-F70 PolarHBondContact O-N 3Å; F70-T72 PolarHBondContact O-N 3.22Å; F70-I73 HydrophobicContact CD1-CD1 3.83Å; F70-I73 WeakPolarHBondContact O-CB 3.28Å; F70-I73 PolarHBondContact O-N 3.2Å; F70-T74 PolarHBondContact O-N 3.49Å; F70-T74 PolarHBondContact O-OG1 2.98Å
71R64.9Low77.6Confident49 Ų4956.9 Ų56.919%0.18528%0.278CS..Hα-helixtrans-58-30.1178.8-79.2178.6176.5-173.33.4113.4D16 E68 T74 Q101 W102 E105D16-R71 IonicContact OD1-NH2 3.44Å; D16-R71 PolarHBondContact OD1-NH2 3.31Å; E68-R71 WeakPolarHBondContact O-CB 3.5Å; E68-R71 PolarHBondContact O-N 3.2Å; R71-T74 WeakPolarHBondContact CA-OG1 3.3Å; R71-T74 PolarHBondContact O-OG1 3.09Å; R71-Q101 VanDerWaalsContact NH1-OE1 3.09Å; R71-W102 HydrophobicContact CG-CH2 3.95Å; R71-W102 HydrophobicContact CG-CZ3 4.28Å; R71-E105 WeakPolarHBondContact CD-OE1 3.46Å; R71-E105 IonicContact NE-OE1 3.23Å
72T61.8Low77.7Confident119 Ų11959.7 Ų59.773%0.7329%0.291SS*.Hα-helixtrans-68.1-35.8175.1-50.90000112.2F70 S75F70-T72 PolarHBondContact O-N 3.22Å; T72-S75 PolarHBondContact O-OG 3.34Å
73I65Low77.8Confident91 Ų9156.8 Ų56.847%0.46728%0.28SS..Hα-helixtrans-73.1-35.6-177.8-55.9-177.1000110.6F70 S75 S76F70-I73 HydrophobicContact CD1-CD1 3.83Å; F70-I73 WeakPolarHBondContact O-CB 3.28Å; F70-I73 PolarHBondContact O-N 3.2Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 2.88Å; I73-S76 PolarHBondContact O-OG 3.49Å
74T69.6Low78.1Confident2 Ų256.8 Ų56.81%0.01228%0.279CS..Hα-helixtrans-70.5-22.1-176.345.60000113.8T64 F70 R71 S76 Y77 Y78T64-T74 HydrophobicContact CG2-CG2 3.85Å; F70-T74 PolarHBondContact O-N 3.49Å; F70-T74 PolarHBondContact O-OG1 2.98Å; R71-T74 WeakPolarHBondContact CA-OG1 3.3Å; R71-T74 PolarHBondContact O-OG1 3.09Å; T74-S76 PolarHBondContact O-N 2.98Å; T74-S76 VanDerWaalsContact O-N 3.12Å; T74-Y77 WeakPolarHBondContact O-CB 3.49Å; T74-Y77 PolarHBondContact O-N 3.18Å; T74-Y78 VanDerWaalsContact O-CD2 3.25Å; T74-Y78 WeakPolarHBondContact O-CD2 3.43Å
75S74.6Confident78.7Confident36 Ų3656.9 Ų56.925%0.25228%0.28SS..Hα-helixtrans-50.9-38.1179.8630000113.9T72 I73 Y77 Y78T72-S75 PolarHBondContact O-OG 3.34Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 2.88Å; S75-Y77 VanDerWaalsContact C-N 3.25Å; S75-Y77 PolarHBondContact O-N 3.06Å; S75-Y78 PolarHBondContact O-N 3.25Å
76S80.9Confident79.5Confident77 Ų7756.8 Ų56.854%0.53828%0.279SS..Hα-helixtrans-64.9-24.5178.863.40000114.1I73 T74I73-S76 PolarHBondContact O-OG 3.49Å; T74-S76 PolarHBondContact O-N 2.98Å; T74-S76 VanDerWaalsContact O-N 3.12Å
77Y86.4Confident81Confident61 Ų6156.4 Ų56.424%0.23928%0.275CS..Hα-helixtrans-84.1-22.4-176.4-64.7-89.3000113.1K10 V43 W62 T74 S75 R79K10-Y77 WeakPolarHBondContact CE-O 3.4Å; K10-Y77 PolarHBondContact NZ-O 3.41Å; V43-Y77 HydrophobicContact CB-CE1 4.21Å; V43-Y77 HydrophobicContact CB-CE2 4.32Å; V43-Y77 HydrophobicContact CG1-CD1 4.13Å; V43-Y77 HydrophobicContact CG1-CE1 3.89Å; V43-Y77 HydrophobicContact CG2-CD2 3.94Å; V43-Y77 HydrophobicContact CG2-CE1 4.22Å; V43-Y77 HydrophobicContact CG2-CE2 3.53Å; V43-Y77 HydrophobicContact CG2-CG 4.43Å; W62-Y77 AromaticContact CD2-CD1 4Å; W62-Y77 HydrophobicContact CD2-CD1 4Å; W62-Y77 HydrophobicContact CD2-CE1 4.39Å; W62-Y77 AromaticContact CE3-CD1 3.57Å; W62-Y77 HydrophobicContact CE3-CD1 3.57Å; W62-Y77 AromaticContact CE3-CE1 3.53Å; W62-Y77 HydrophobicContact CE3-CE1 3.53Å; W62-Y77 HydrophobicContact CH2-CE1 4.24Å; W62-Y77 AromaticContact CZ3-CD1 3.9Å; W62-Y77 HydrophobicContact CZ3-CD1 3.9Å; W62-Y77 AromaticContact CZ3-CE1 3.45Å; W62-Y77 HydrophobicContact CZ3-CE1 3.45Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.45Å; T74-Y77 WeakPolarHBondContact O-CB 3.49Å; T74-Y77 PolarHBondContact O-N 3.18Å; S75-Y77 VanDerWaalsContact C-N 3.25Å; S75-Y77 PolarHBondContact O-N 3.06Å; Y77-R79 VanDerWaalsContact C-N 3.27Å; Y77-R79 PolarHBondContact O-N 3.16Å
78Y89.8Confident82.4Confident0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-62.4-35.2174.4-72-97.9000111.8L12 I14 T74 S75 G80 A81 I84 E105 I106 A110L12-Y78 HydrophobicContact CD2-CD1 4.05Å; L12-Y78 HydrophobicContact CD2-CD2 4.16Å; L12-Y78 HydrophobicContact CD2-CE1 4.25Å; L12-Y78 HydrophobicContact CD2-CE2 4.4Å; L12-Y78 HydrophobicContact CD2-CG 4Å; I14-Y78 HydrophobicContact CD1-CE1 4.01Å; I14-Y78 HydrophobicContact CG2-CE1 4.32Å; T74-Y78 VanDerWaalsContact O-CD2 3.25Å; T74-Y78 WeakPolarHBondContact O-CD2 3.43Å; S75-Y78 PolarHBondContact O-N 3.25Å; Y78-G80 PolarHBondContact O-N 2.75Å; Y78-A81 VanDerWaalsContact O-CB 3.31Å; Y78-A81 WeakPolarHBondContact O-CB 3.46Å; Y78-A81 PolarHBondContact O-N 2.76Å; Y78-A81 VanDerWaalsContact O-N 3.13Å; Y78-I84 HydrophobicContact CD1-CD1 3.71Å; Y78-I84 HydrophobicContact CE1-CD1 4.25Å; Y78-E105 HydrophobicContact CE1-CB 4.32Å; Y78-E105 PolarHBondContact OH-OE2 3.01Å; Y78-I106 HydrophobicContact CD1-CG1 4.32Å; Y78-I106 HydrophobicContact CE1-CG1 3.84Å; Y78-A110 HydrophobicContact CD1-CB 4.39Å
79R87.5Confident84.2Confident199 Ų19947.3 Ų47.375%0.75123%0.233SC*.THydrogen-bonded Turntrans-64.3128.2-179.8-169.6171.6175.480.11.3110.9K10 Y77 A81K10-R79 PolarHBondContact NZ-O 3.19Å; Y77-R79 VanDerWaalsContact C-N 3.27Å; Y77-R79 PolarHBondContact O-N 3.16Å; R79-A81 PolarHBondContact O-N 3.45Å
80G88.9Confident86Confident36 Ų3638.4 Ų38.437%0.37120%0.2SC..THydrogen-bonded Turntrans72.87.8-178.800000114.6Y78 H82Y78-G80 PolarHBondContact O-N 2.75Å; G80-H82 PolarHBondContact O-N 3.45Å
81A94.8Very high87.8Confident4 Ų437.2 Ų37.23%0.03320%0.197CC..  trans-64.2132.6167.200000109.3Y78 R79 I84 V114Y78-A81 VanDerWaalsContact O-CB 3.31Å; Y78-A81 WeakPolarHBondContact O-CB 3.46Å; Y78-A81 PolarHBondContact O-N 2.76Å; Y78-A81 VanDerWaalsContact O-N 3.13Å; R79-A81 PolarHBondContact O-N 3.45Å; A81-I84 HydrophobicContact CB-CD1 4.25Å; A81-I84 HydrophobicContact CB-CG1 3.97Å; A81-V114 HydrophobicContact CB-CG2 4.41Å; A81-V114 WeakPolarHBondContact O-CG2 3.47Å
82H96.6Very high89.3Confident59 Ų5937.8 Ų37.827%0.27320%0.204SC..SBendtrans-85.9-33.6175.7-61.391.3000110.9K10 G80 N115 I169 R172 M173K10-H82 WeakPolarHBondContact CB-ND1 3.29Å; K10-H82 PolarHBondContact N-ND1 3.44Å; K10-H82 PolarHBondContact O-N 3.25Å; G80-H82 PolarHBondContact O-N 3.45Å; H82-N115 PolarHBondContact O-N 2.95Å; H82-N115 VanDerWaalsContact O-N 3.12Å; H82-I169 HydrophobicContact CB-CD1 4Å; H82-I169 HydrophobicContact CB-CG1 4.43Å; H82-I169 HydrophobicContact CB-CG2 3.98Å; H82-R172 PolarHBondContact O-NH1 2.77Å; H82-M173 HydrophobicContact CB-CE 4.29Å; H82-M173 WeakPolarHBondContact CD2-CE 3.29Å
83G97.2Very high91Very high0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-147.8154170.200000113K10 L11 L12 N115K10-G83 PolarHBondContact O-N 3.25Å; L11-G83 WeakPolarHBondContact CA-O 3.15Å; L12-G83 PolarHBondContact N-O 3.08Å; L12-G83 VanDerWaalsContact N-O 3.14Å; G83-N115 CarbonylContact C-O 3.48Å; G83-N115 WeakPolarHBondContact CA-O 3.39Å
84I97.5Very high92.6Very high0 Ų037.6 Ų37.60%019%0.193CC..EExtended strand (participates in β ladder)trans-129.5128.5-177.9-58.2177.5000108.6L12 I14 Y78 A81 I106 A110 V114 N115 K116 L117 M165L12-I84 HydrophobicContact CB-CG1 4.16Å; L12-I84 HydrophobicContact CB-CG2 4.47Å; L12-I84 WeakPolarHBondContact O-CA 3.19Å; I14-I84 HydrophobicContact CD1-CG2 3.79Å; I14-I84 HydrophobicContact CG1-CG2 3.83Å; I14-I84 HydrophobicContact CG2-CG2 4.27Å; Y78-I84 HydrophobicContact CD1-CD1 3.71Å; Y78-I84 HydrophobicContact CE1-CD1 4.25Å; A81-I84 HydrophobicContact CB-CD1 4.25Å; A81-I84 HydrophobicContact CB-CG1 3.97Å; I84-I106 HydrophobicContact CB-CD1 4.06Å; I84-I106 HydrophobicContact CD1-CB 4.47Å; I84-I106 HydrophobicContact CD1-CD1 4.3Å; I84-I106 HydrophobicContact CD1-CG1 3.87Å; I84-I106 HydrophobicContact CD1-CG2 4.05Å; I84-I106 HydrophobicContact CG2-CD1 3.65Å; I84-I106 HydrophobicContact CG2-CG1 4.07Å; I84-A110 HydrophobicContact CD1-CB 3.84Å; I84-V114 HydrophobicContact CD1-CG1 4.44Å; I84-V114 HydrophobicContact CD1-CG2 3.93Å; I84-V114 HydrophobicContact CG1-CG2 3.76Å; I84-N115 PolarHBondContact N-O 3.28Å; I84-K116 WeakPolarHBondContact O-CA 3.21Å; I84-L117 PolarHBondContact O-N 3.38Å; I84-M165 VanDerWaalsContact O-CE 3.23Å; I84-M165 WeakPolarHBondContact O-CE 3.41Å
85I98.2Very high93.9Very high3 Ų337.6 Ų37.62%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-104.4117.5177-53.8179000107.4L12 L13 I14 V87 L117 V119 F162 M165L12-I85 PolarHBondContact O-N 3.38Å; L13-I85 HydrophobicContact CD2-CB 3.7Å; L13-I85 HydrophobicContact CD2-CD1 3.85Å; L13-I85 HydrophobicContact CD2-CG1 4.15Å; L13-I85 HydrophobicContact CD2-CG2 4.25Å; I14-I85 PolarHBondContact N-O 2.97Å; I85-V87 HydrophobicContact CG2-CG2 4.1Å; I85-L117 WeakPolarHBondContact CA-O 3.49Å; I85-L117 HydrophobicContact CD1-CD2 4.23Å; I85-L117 HydrophobicContact CG1-CB 4.36Å; I85-L117 HydrophobicContact CG1-CD2 4.17Å; I85-L117 HydrophobicContact CG2-CD2 4.21Å; I85-L117 HydrophobicContact CG2-CG 4.41Å; I85-V119 HydrophobicContact CG2-CB 4.1Å; I85-V119 HydrophobicContact CG2-CG2 3.48Å; I85-V119 VanDerWaalsContact CG2-CG2 3.48Å; I85-F162 HydrophobicContact CD1-CD1 3.86Å; I85-F162 HydrophobicContact CD1-CE1 3.82Å; I85-F162 HydrophobicContact CD1-CZ 4.49Å; I85-M165 HydrophobicContact CD1-CB 4.39Å; I85-M165 HydrophobicContact CG1-CE 3.76Å; I85-M165 HydrophobicContact CG1-CG 4.42Å
86V97.7Very high95Very high1 Ų136.8 Ų36.81%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-94.8118.9176.8-169.20000108.1I14 V99 W102 L103 I106 L117 L118 V119I14-V86 HydrophobicContact CD1-CG2 3.99Å; I14-V86 HydrophobicContact CG1-CB 4.32Å; I14-V86 HydrophobicContact CG1-CG1 4.28Å; I14-V86 HydrophobicContact CG1-CG2 3.93Å; V86-V99 HydrophobicContact CG1-CG1 4.08Å; V86-V99 HydrophobicContact CG1-CG2 4.39Å; V86-W102 HydrophobicContact CG1-CB 3.9Å; V86-W102 HydrophobicContact CG1-CG 4.44Å; V86-L103 HydrophobicContact CG2-CD2 4.3Å; V86-I106 HydrophobicContact CG2-CD1 3.71Å; V86-L117 PolarHBondContact N-O 3.38Å; V86-L118 HydrophobicContact CB-CD1 4.27Å; V86-L118 HydrophobicContact CG1-CD1 4.46Å; V86-V119 PolarHBondContact O-N 3.47Å
87V98.3Very high95.8Very high1 Ų137.6 Ų37.61%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-109.8131.1-174.9-170.50000109.8I14 G15 V19 K21 L24 I85 V119 N121I14-V87 PolarHBondContact O-N 3.42Å; G15-V87 WeakPolarHBondContact CA-O 3.3Å; V19-V87 HydrophobicContact CB-CG1 4.38Å; V19-V87 HydrophobicContact CG2-CB 4Å; V19-V87 HydrophobicContact CG2-CG1 3.86Å; K21-V87 HydrophobicContact CG-CB 3.97Å; K21-V87 HydrophobicContact CG-CG1 4.49Å; K21-V87 HydrophobicContact CG-CG2 4.05Å; L24-V87 HydrophobicContact CD1-CG1 3.85Å; L24-V87 HydrophobicContact CD1-CG2 4.1Å; I85-V87 HydrophobicContact CG2-CG2 4.1Å; V87-V119 WeakPolarHBondContact CA-O 3.25Å; V87-V119 HydrophobicContact CG1-CG1 4.38Å; V87-V119 HydrophobicContact CG2-CB 4.38Å; V87-N121 HydrophobicContact CG1-CB 3.84Å
88Y98.5Very high96.2Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-124.3169.9165.775.2-84.8000109.9V90 F96 V99 L118 V119 G120 N121 V131 A136 F147Y88-V90 HydrophobicContact CE2-CG1 4.04Å; Y88-F96 AromaticContact CD1-CD2 3.96Å; Y88-F96 HydrophobicContact CD1-CD2 3.96Å; Y88-F96 HydrophobicContact CD2-CB 3.76Å; Y88-F96 AromaticContact CD2-CD2 3.83Å; Y88-F96 HydrophobicContact CD2-CD2 3.83Å; Y88-F96 HydrophobicContact CD2-CG 4.25Å; Y88-F96 AromaticContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CE2 4.2Å; Y88-F96 HydrophobicContact CE2-CB 4.2Å; Y88-F96 AromaticContact CE2-CD2 3.71Å; Y88-F96 HydrophobicContact CE2-CD2 3.71Å; Y88-F96 HydrophobicContact CE2-CG 4.3Å; Y88-F96 HydrophobicContact CG-CB 4.22Å; Y88-F96 AromaticContact CG-CD2 3.96Å; Y88-F96 HydrophobicContact CG-CD2 3.96Å; Y88-F96 AromaticContact CZ-CD2 3.71Å; Y88-V99 HydrophobicContact CD1-CG2 4.23Å; Y88-V99 HydrophobicContact CG-CG2 4.35Å; Y88-L118 HydrophobicContact CD1-CD1 3.87Å; Y88-L118 HydrophobicContact CD1-CG 4.31Å; Y88-L118 HydrophobicContact CE1-CD1 4.12Å; Y88-L118 HydrophobicContact CE1-CD2 4.27Å; Y88-L118 HydrophobicContact CE1-CG 4.04Å; Y88-V119 VanDerWaalsContact CD1-O 3.3Å; Y88-V119 WeakPolarHBondContact CD1-O 3.28Å; Y88-V119 PolarHBondContact N-O 2.96Å; Y88-G120 VanDerWaalsContact CZ-CA 3.42Å; Y88-N121 PolarHBondContact O-N 3.24Å; Y88-V131 HydrophobicContact CD2-CG2 4.49Å; Y88-V131 HydrophobicContact CE2-CB 3.98Å; Y88-V131 HydrophobicContact CE2-CG1 3.74Å; Y88-V131 HydrophobicContact CE2-CG2 4.13Å; Y88-A136 WeakPolarHBondContact OH-CB 3.29Å; Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.46Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.32Å
89D98.3Very high96.5Very high9 Ų936 Ų365%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-103.5124.8176.5176.8-8.7000109.6V19 T91 D92 S95 K122V19-D89 HydrophobicContact CB-CB 4.25Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 3.39Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.23Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 2.85Å; D89-T91 PolarHBondContact OD1-OG1 2.68Å; D89-T91 PolarHBondContact OD2-OG1 3.15Å; D89-D92 HydrophobicContact CB-CB 4.02Å; D89-D92 PolarHBondContact O-N 3.32Å; D89-D92 VanDerWaalsContact O-O 3.1Å; D89-S95 PolarHBondContact N-OG 3.03Å; D89-S95 PolarHBondContact O-OG 3.06Å; D89-K122 VanDerWaalsContact OD2-CD 3.24Å; D89-K122 WeakPolarHBondContact OD2-CD 3.3Å; D89-K122 WeakPolarHBondContact OD2-CE 3.38Å; D89-K122 IonicContact OD2-NZ 2.64Å; D89-K122 PolarHBondContact OD2-NZ 3.45Å
90V98.5Very high96.9Very high0 Ų032.7 Ų32.70%017%0.17CC..THydrogen-bonded Turntrans-65.4-15-178.6-56.10000113.5Y88 N121 K122 K129 V130 V131 E149Y88-V90 HydrophobicContact CE2-CG1 4.04Å; V90-N121 WeakPolarHBondContact CG1-O 3.49Å; V90-N121 WeakPolarHBondContact CG2-O 3.14Å; V90-N121 PolarHBondContact N-O 2.84Å; V90-K122 WeakPolarHBondContact CG2-O 3.15Å; V90-K129 HydrophobicContact CB-CG 4.2Å; V90-K129 HydrophobicContact CG2-CD 4.49Å; V90-K129 HydrophobicContact CG2-CG 4.19Å; V90-V130 PolarHBondContact O-N 3.1Å; V90-V131 PolarHBondContact O-N 3.31Å; V90-E149 HydrophobicContact CG1-CG 4.26Å
91T98.1Very high97.1Very high34 Ų3434.9 Ų34.921%0.20917%0.17CC..THydrogen-bonded Turntrans-94.5-0.1176.471.80000113.3D89 L125 K128 V130D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 3.39Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.23Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 2.85Å; D89-T91 PolarHBondContact OD1-OG1 2.68Å; D89-T91 PolarHBondContact OD2-OG1 3.15Å; T91-L125 HydrophobicContact CG2-CB 3.64Å; T91-L125 HydrophobicContact CG2-CD1 3.96Å; T91-L125 HydrophobicContact CG2-CG 4.45Å; T91-K128 WeakPolarHBondContact CA-O 3.39Å; T91-K128 VanDerWaalsContact CB-O 3.32Å; T91-K128 WeakPolarHBondContact CB-O 3.43Å; T91-K128 HydrophobicContact CG2-CB 3.77Å; T91-V130 VanDerWaalsContact C-CG2 3.49Å
92D97.8Very high97Very high61 Ų6134.8 Ų34.833%0.32617%0.169SC..  trans-130.7104.4-178.7-179.1-5.4000111.1D89 E94 S95 F96D89-D92 HydrophobicContact CB-CB 4.02Å; D89-D92 PolarHBondContact O-N 3.32Å; D89-D92 VanDerWaalsContact O-O 3.1Å; D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 2.93Å; D92-E94 WeakPolarHBondContact OD1-CB 3.36Å; D92-E94 PolarHBondContact OD1-N 3.08Å; D92-S95 PolarHBondContact O-N 3.33Å; D92-S95 PolarHBondContact O-OG 2.66Å; D92-S95 PolarHBondContact OD1-N 3.46Å; D92-F96 PolarHBondContact O-N 2.95Å
93Q97.6Very high96.9Very high77 Ų7732.8 Ų32.836%0.3616%0.16SC..Hα-helixtrans-64.3-32179.8-173.860.757.800112.9F96 N97 V130Q93-F96 PolarHBondContact O-N 3.23Å; Q93-N97 PolarHBondContact NE2-OD1 2.85Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.13Å; Q93-N97 PolarHBondContact O-N 3.12Å; Q93-N97 PolarHBondContact O-ND2 2.94Å; Q93-N97 PolarHBondContact O-OD1 2.86Å; Q93-V130 HydrophobicContact CB-CG2 4.02Å
94E97.1Very high96.7Very high130 Ų13038.5 Ų38.561%0.60719%0.187SC*.Hα-helixtrans-67.5-42.6179.5-172.7173.8179.100110.3D92 F96 N97 N98D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact O-N 2.93Å; D92-E94 WeakPolarHBondContact OD1-CB 3.36Å; D92-E94 PolarHBondContact OD1-N 3.08Å; E94-F96 PolarHBondContact O-N 2.98Å; E94-N97 PolarHBondContact O-N 3.04Å; E94-N97 VanDerWaalsContact O-N 3.09Å; E94-N98 PolarHBondContact O-N 2.84Å; E94-N98 PolarHBondContact O-ND2 2.83Å
95S97.5Very high96.4Very high1 Ų139.6 Ų39.61%0.00719%0.192CC..Hα-helixtrans-58-36.4175.781.70000112.8D89 D92D89-S95 PolarHBondContact N-OG 3.03Å; D89-S95 PolarHBondContact O-OG 3.06Å; D92-S95 PolarHBondContact O-N 3.33Å; D92-S95 PolarHBondContact O-OG 2.66Å; D92-S95 PolarHBondContact OD1-N 3.46Å
96F98.4Very high96.1Very high20 Ų2039.5 Ų39.59%0.08819%0.192CC..Hα-helixtrans-71.9-42.5174.8-179.5-106.2000112.1Y88 D92 Q93 E94 N98 V99 L118 V131 A136 F139Y88-F96 AromaticContact CD1-CD2 3.96Å; Y88-F96 HydrophobicContact CD1-CD2 3.96Å; Y88-F96 HydrophobicContact CD2-CB 3.76Å; Y88-F96 AromaticContact CD2-CD2 3.83Å; Y88-F96 HydrophobicContact CD2-CD2 3.83Å; Y88-F96 HydrophobicContact CD2-CG 4.25Å; Y88-F96 AromaticContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CE2 4.2Å; Y88-F96 HydrophobicContact CE2-CB 4.2Å; Y88-F96 AromaticContact CE2-CD2 3.71Å; Y88-F96 HydrophobicContact CE2-CD2 3.71Å; Y88-F96 HydrophobicContact CE2-CG 4.3Å; Y88-F96 HydrophobicContact CG-CB 4.22Å; Y88-F96 AromaticContact CG-CD2 3.96Å; Y88-F96 HydrophobicContact CG-CD2 3.96Å; Y88-F96 AromaticContact CZ-CD2 3.71Å; D92-F96 PolarHBondContact O-N 2.95Å; Q93-F96 PolarHBondContact O-N 3.23Å; E94-F96 PolarHBondContact O-N 2.98Å; F96-N98 PolarHBondContact O-N 3.43Å; F96-V99 HydrophobicContact CD2-CG2 4.44Å; F96-V99 VanDerWaalsContact O-CB 3.22Å; F96-V99 WeakPolarHBondContact O-CB 3.24Å; F96-V99 VanDerWaalsContact O-CG2 3.26Å; F96-V99 WeakPolarHBondContact O-CG2 3.36Å; F96-V99 PolarHBondContact O-N 2.8Å; F96-V99 VanDerWaalsContact O-N 3.1Å; F96-L118 HydrophobicContact CE2-CD2 4.5Å; F96-V131 HydrophobicContact CB-CG1 4.28Å; F96-V131 HydrophobicContact CB-CG2 3.81Å; F96-V131 HydrophobicContact CD1-CG1 4.08Å; F96-V131 HydrophobicContact CD2-CG1 3.92Å; F96-V131 HydrophobicContact CE1-CG1 4.4Å; F96-V131 HydrophobicContact CE2-CG1 4.26Å; F96-V131 HydrophobicContact CG-CG1 3.82Å; F96-V131 HydrophobicContact CG-CG2 4.25Å; F96-V131 HydrophobicContact CZ-CG1 4.48Å; F96-A136 HydrophobicContact CE2-CB 3.73Å; F96-A136 HydrophobicContact CZ-CB 4.12Å; F96-F139 HydrophobicContact CE2-CD1 4.24Å; F96-F139 HydrophobicContact CZ-CB 4.12Å; F96-F139 HydrophobicContact CZ-CD1 4.1Å; F96-F139 HydrophobicContact CZ-CG 4.18Å
97N96.9Very high95.9Very high93 Ų9344.7 Ų44.750%0.49722%0.219SC..Hα-helixtrans-60.3-36.5177.2-67-18.1000111.7Q93 E94 V99Q93-N97 PolarHBondContact NE2-OD1 2.85Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.13Å; Q93-N97 PolarHBondContact O-N 3.12Å; Q93-N97 PolarHBondContact O-ND2 2.94Å; Q93-N97 PolarHBondContact O-OD1 2.86Å; E94-N97 PolarHBondContact O-N 3.04Å; E94-N97 VanDerWaalsContact O-N 3.09Å; N97-V99 VanDerWaalsContact C-N 3.25Å; N97-V99 PolarHBondContact O-N 2.8Å
98N95.8Very high95.5Very high27 Ų2753 Ų5314%0.14425%0.25CS..THydrogen-bonded Turntrans-72.3-12.6179.1-71.4-22.6000113.9D16 E94 F96 K100 Q101 W102D16-N98 WeakPolarHBondContact OD2-CB 3.35Å; D16-N98 PolarHBondContact OD2-ND2 2.95Å; E94-N98 PolarHBondContact O-N 2.84Å; E94-N98 PolarHBondContact O-ND2 2.83Å; F96-N98 PolarHBondContact O-N 3.43Å; N98-K100 PolarHBondContact O-N 2.84Å; N98-K100 VanDerWaalsContact O-N 3.16Å; N98-Q101 WeakPolarHBondContact O-CB 3.5Å; N98-Q101 PolarHBondContact O-N 2.65Å; N98-W102 PolarHBondContact O-N 2.83Å
99V96.3Very high95.2Very high0 Ų057.5 Ų57.50%027%0.268CS..Hα-helixtrans-53.4-37.5174.4172.30000111.5V86 Y88 F96 N97 Q101 W102 L103 L118 F139V86-V99 HydrophobicContact CG1-CG1 4.08Å; V86-V99 HydrophobicContact CG1-CG2 4.39Å; Y88-V99 HydrophobicContact CD1-CG2 4.23Å; Y88-V99 HydrophobicContact CG-CG2 4.35Å; F96-V99 HydrophobicContact CD2-CG2 4.44Å; F96-V99 VanDerWaalsContact O-CB 3.22Å; F96-V99 WeakPolarHBondContact O-CB 3.24Å; F96-V99 VanDerWaalsContact O-CG2 3.26Å; F96-V99 WeakPolarHBondContact O-CG2 3.36Å; F96-V99 PolarHBondContact O-N 2.8Å; F96-V99 VanDerWaalsContact O-N 3.1Å; N97-V99 VanDerWaalsContact C-N 3.25Å; N97-V99 PolarHBondContact O-N 2.8Å; V99-Q101 VanDerWaalsContact C-N 3.28Å; V99-Q101 PolarHBondContact O-N 2.7Å; V99-W102 PolarHBondContact O-N 2.96Å; V99-L103 HydrophobicContact CG1-CD1 3.98Å; V99-L103 HydrophobicContact CG1-CG 4.22Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 2.83Å; V99-L118 HydrophobicContact CG1-CD1 3.71Å; V99-L118 HydrophobicContact CG2-CD1 4.07Å; V99-F139 HydrophobicContact CB-CE1 4.47Å; V99-F139 HydrophobicContact CG1-CE1 3.74Å; V99-F139 HydrophobicContact CG1-CZ 4.31Å
100K94.6Very high94.9Very high131 Ų13157.9 Ų57.957%0.5727%0.273SS*.Hα-helixtrans-59.9-38.3176.9-69.3-179.5-179.11760112.5N98 L103 Q104 F139N98-K100 PolarHBondContact O-N 2.84Å; N98-K100 VanDerWaalsContact O-N 3.16Å; K100-L103 PolarHBondContact O-N 2.78Å; K100-Q104 WeakPolarHBondContact O-CG 3.12Å; K100-Q104 PolarHBondContact O-N 3.32Å; K100-Q104 VanDerWaalsContact O-N 3.11Å; K100-F139 HydrophobicContact CG-CE2 4.1Å; K100-F139 HydrophobicContact CG-CZ 3.92Å
101Q93Very high94.4Very high82 Ų8260.9 Ų60.938%0.38329%0.293SS..Hα-helixtrans-68.4-42.7176.8-59.8179.98.300110.8R71 N98 V99 L103 Q104 E105R71-Q101 VanDerWaalsContact NH1-OE1 3.09Å; N98-Q101 WeakPolarHBondContact O-CB 3.5Å; N98-Q101 PolarHBondContact O-N 2.65Å; V99-Q101 VanDerWaalsContact C-N 3.28Å; V99-Q101 PolarHBondContact O-N 2.7Å; Q101-L103 VanDerWaalsContact C-N 3.32Å; Q101-L103 PolarHBondContact O-N 3.1Å; Q101-Q104 WeakPolarHBondContact O-CB 3.38Å; Q101-Q104 PolarHBondContact O-N 2.89Å; Q101-Q104 VanDerWaalsContact O-N 3.16Å; Q101-E105 PolarHBondContact O-N 3.05Å
102W93.9Very high93.8Very high1 Ų168.3 Ų68.30%0.00433%0.326CS..Hα-helixtrans-61.7-39176.2-69.2113.1000112.6I14 G15 D16 R71 V86 N98 V99 E105 I106I14-W102 HydrophobicContact CB-CE3 4.08Å; I14-W102 HydrophobicContact CB-CZ3 4.39Å; I14-W102 HydrophobicContact CD1-CB 3.91Å; I14-W102 HydrophobicContact CD1-CD2 4.49Å; I14-W102 HydrophobicContact CD1-CE3 4.03Å; I14-W102 HydrophobicContact CD1-CG 4.5Å; I14-W102 HydrophobicContact CG1-CB 4.48Å; I14-W102 HydrophobicContact CG1-CE3 4.37Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 VanDerWaalsContact O-CZ2 3.29Å; G15-W102 WeakPolarHBondContact O-CZ2 3.18Å; D16-W102 PolarHBondContact OD1-NE1 2.77Å; R71-W102 HydrophobicContact CG-CH2 3.95Å; R71-W102 HydrophobicContact CG-CZ3 4.28Å; V86-W102 HydrophobicContact CG1-CB 3.9Å; V86-W102 HydrophobicContact CG1-CG 4.44Å; N98-W102 PolarHBondContact O-N 2.83Å; V99-W102 PolarHBondContact O-N 2.96Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.45Å; W102-E105 WeakPolarHBondContact O-CB 3.36Å; W102-E105 PolarHBondContact O-N 3.07Å; W102-I106 WeakPolarHBondContact O-CG1 3.24Å; W102-I106 PolarHBondContact O-N 3.47Å
103L94.1Very high93.3Very high17 Ų1771.3 Ų71.39%0.08934%0.342CS..Hα-helixtrans-64.1-40.3173.9-68.7169.6000112V86 V99 K100 Q101 E105 I106 D107 K116 F139 L143 I145V86-L103 HydrophobicContact CG2-CD2 4.3Å; V99-L103 HydrophobicContact CG1-CD1 3.98Å; V99-L103 HydrophobicContact CG1-CG 4.22Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 2.83Å; K100-L103 PolarHBondContact O-N 2.78Å; Q101-L103 VanDerWaalsContact C-N 3.32Å; Q101-L103 PolarHBondContact O-N 3.1Å; L103-E105 VanDerWaalsContact C-N 3.29Å; L103-E105 PolarHBondContact O-N 2.77Å; L103-I106 HydrophobicContact CD2-CD1 4.28Å; L103-I106 WeakPolarHBondContact O-CB 3.29Å; L103-I106 PolarHBondContact O-N 3.11Å; L103-D107 PolarHBondContact O-N 3.22Å; L103-K116 HydrophobicContact CD2-CD 4.37Å; L103-F139 HydrophobicContact CD1-CE1 4.2Å; L103-F139 HydrophobicContact CD1-CZ 3.93Å; L103-L143 HydrophobicContact CD1-CD1 3.42Å; L103-L143 VanDerWaalsContact CD1-CD1 3.42Å; L103-I145 HydrophobicContact CD2-CD1 4.45Å
104Q92.8Very high93.1Very high120 Ų12068.1 Ų68.156%0.56133%0.328SS*.Hα-helixtrans-63.6-33.8174.2-70.9171.2100112.6K100 Q101 D107 R108K100-Q104 WeakPolarHBondContact O-CG 3.12Å; K100-Q104 PolarHBondContact O-N 3.32Å; K100-Q104 VanDerWaalsContact O-N 3.11Å; Q101-Q104 WeakPolarHBondContact O-CB 3.38Å; Q101-Q104 PolarHBondContact O-N 2.89Å; Q101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-D107 PolarHBondContact O-N 3.27Å; Q104-R108 WeakPolarHBondContact O-CB 3.23Å; Q104-R108 PolarHBondContact O-N 3.46Å; Q104-R108 VanDerWaalsContact O-N 3.09Å
105E90.6Very high93.1Very high24 Ų2463 Ų6311%0.11231%0.305CS..Hα-helixtrans-66.5-41.1172.6-71.3-170.8-166.700112R71 Y78 Q101 W102 L103 D107 R108 Y109R71-E105 WeakPolarHBondContact CD-OE1 3.46Å; R71-E105 IonicContact NE-OE1 3.23Å; Y78-E105 HydrophobicContact CE1-CB 4.32Å; Y78-E105 PolarHBondContact OH-OE2 3.01Å; Q101-E105 PolarHBondContact O-N 3.05Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.45Å; W102-E105 WeakPolarHBondContact O-CB 3.36Å; W102-E105 PolarHBondContact O-N 3.07Å; L103-E105 VanDerWaalsContact C-N 3.29Å; L103-E105 PolarHBondContact O-N 2.77Å; E105-D107 VanDerWaalsContact C-N 3.34Å; E105-D107 PolarHBondContact O-N 2.92Å; E105-R108 PolarHBondContact O-N 3.47Å; E105-Y109 HydrophobicContact CB-CD2 4.32Å; E105-Y109 VanDerWaalsContact O-CD2 3.31Å; E105-Y109 WeakPolarHBondContact O-CD2 3.25Å; E105-Y109 PolarHBondContact O-N 3.09Å
106I93.1Very high93.2Very high1 Ų165.6 Ų65.61%0.00532%0.316CS..Hα-helixtrans-57-51.1173.5-66.8173.6000109.7I14 Y78 I84 V86 W102 L103 R108 Y109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.79Å; I14-I106 HydrophobicContact CD1-CG1 3.75Å; Y78-I106 HydrophobicContact CD1-CG1 4.32Å; Y78-I106 HydrophobicContact CE1-CG1 3.84Å; I84-I106 HydrophobicContact CB-CD1 4.06Å; I84-I106 HydrophobicContact CD1-CB 4.47Å; I84-I106 HydrophobicContact CD1-CD1 4.3Å; I84-I106 HydrophobicContact CD1-CG1 3.87Å; I84-I106 HydrophobicContact CD1-CG2 4.05Å; I84-I106 HydrophobicContact CG2-CD1 3.65Å; I84-I106 HydrophobicContact CG2-CG1 4.07Å; V86-I106 HydrophobicContact CG2-CD1 3.71Å; W102-I106 WeakPolarHBondContact O-CG1 3.24Å; W102-I106 PolarHBondContact O-N 3.47Å; L103-I106 HydrophobicContact CD2-CD1 4.28Å; L103-I106 WeakPolarHBondContact O-CB 3.29Å; L103-I106 PolarHBondContact O-N 3.11Å; I106-R108 PolarHBondContact O-N 2.88Å; I106-Y109 PolarHBondContact O-N 3.46Å; I106-A110 HydrophobicContact CG2-CB 3.92Å; I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 2.85Å; I106-V114 HydrophobicContact CG2-CG1 3.65Å; I106-K116 HydrophobicContact CG2-CD 4.2Å; I106-K116 HydrophobicContact CG2-CG 4.46Å
107D92.1Very high93.1Very high110 Ų11064.7 Ų64.759%0.58831%0.312SS*.Hα-helixtrans-64.5-24.4-177.5-63.2-21.1000112.3L103 Q104 E105 K116L103-D107 PolarHBondContact O-N 3.22Å; Q104-D107 PolarHBondContact O-N 3.27Å; E105-D107 VanDerWaalsContact C-N 3.34Å; E105-D107 PolarHBondContact O-N 2.92Å; D107-K116 IonicContact OD1-NZ 3.26Å; D107-K116 PolarHBondContact OD1-NZ 2.93Å
108R91.4Very high93.2Very high175 Ų17560.3 Ų60.366%0.6629%0.288SS*.Hα-helixtrans-83.3-38.3178-172.3178.1-66.1174.53.6113.9Q104 E105 I106Q104-R108 WeakPolarHBondContact O-CB 3.23Å; Q104-R108 PolarHBondContact O-N 3.46Å; Q104-R108 VanDerWaalsContact O-N 3.09Å; E105-R108 PolarHBondContact O-N 3.47Å; I106-R108 PolarHBondContact O-N 2.88Å
109Y91.1Very high93.4Very high94 Ų9459.1 Ų59.137%0.36928%0.282SS..Hα-helixtrans-118.1-20.8-166.9-58-58.9000114.9E105 I106E105-Y109 HydrophobicContact CB-CD2 4.32Å; E105-Y109 VanDerWaalsContact O-CD2 3.31Å; E105-Y109 WeakPolarHBondContact O-CD2 3.25Å; E105-Y109 PolarHBondContact O-N 3.09Å; I106-Y109 PolarHBondContact O-N 3.46Å
110A92.3Very high93.5Very high18 Ų1859.1 Ų59.115%0.14928%0.282CS..SBendtrans-88.1168.1179.500000111.8Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.39Å; I84-A110 HydrophobicContact CD1-CB 3.84Å; I106-A110 HydrophobicContact CG2-CB 3.92Å; I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 2.85Å; A110-V114 HydrophobicContact CB-CB 4.26Å; A110-V114 HydrophobicContact CB-CG1 3.77Å
111S88.9Confident93.7Very high62 Ų6253 Ų5343%0.43426%0.256SS..  trans-69.3143.7172-55.90000110.6N113 V114S111-N113 PolarHBondContact O-N 3.48Å; S111-V114 WeakPolarHBondContact O-CB 3.37Å; S111-V114 WeakPolarHBondContact O-CG1 3.32Å; S111-V114 PolarHBondContact O-N 3.3Å
112E83.9Confident93.9Very high191 Ų19151.8 Ų51.889%0.89325%0.249SC*.THydrogen-bonded Turntrans-50.9-34.5-176.3-67.8-179168.600114
113N87.1Confident94.1Very high123 Ų12352.9 Ų52.966%0.65826%0.257SS*.THydrogen-bonded Turntrans-94.210.9-175.9-66.1-42.1000114.4S111 N115 R172S111-N113 PolarHBondContact O-N 3.48Å; N113-N115 PolarHBondContact O-N 2.84Å; N113-R172 VanDerWaalsContact O-CD 3.3Å; N113-R172 WeakPolarHBondContact O-CD 3.49Å; N113-R172 PolarHBondContact O-NH1 3.25Å
114V95.2Very high94.2Very high11 Ų1154.2 Ų54.27%0.06726%0.264CS..  trans-59.3132.7-177.770.50000111.5A81 I84 I106 A110 S111 K116A81-V114 HydrophobicContact CB-CG2 4.41Å; A81-V114 WeakPolarHBondContact O-CG2 3.47Å; I84-V114 HydrophobicContact CD1-CG1 4.44Å; I84-V114 HydrophobicContact CD1-CG2 3.93Å; I84-V114 HydrophobicContact CG1-CG2 3.76Å; I106-V114 HydrophobicContact CG2-CG1 3.65Å; A110-V114 HydrophobicContact CB-CB 4.26Å; A110-V114 HydrophobicContact CB-CG1 3.77Å; S111-V114 WeakPolarHBondContact O-CB 3.37Å; S111-V114 WeakPolarHBondContact O-CG1 3.32Å; S111-V114 PolarHBondContact O-N 3.3Å; V114-K116 HydrophobicContact CG1-CG 4.44Å
115N97.1Very high94.3Very high23 Ų2351.3 Ų51.312%0.12325%0.252CS..EExtended strand (participates in β ladder)trans-72.4138.8175.2-69.988.6000109.3H82 G83 I84 N113 M165 E168 I169 R172H82-N115 PolarHBondContact O-N 2.95Å; H82-N115 VanDerWaalsContact O-N 3.12Å; G83-N115 CarbonylContact C-O 3.48Å; G83-N115 WeakPolarHBondContact CA-O 3.39Å; I84-N115 PolarHBondContact N-O 3.28Å; N113-N115 PolarHBondContact O-N 2.84Å; N115-M165 HydrophobicContact CB-SD 3.7Å; N115-E168 PolarHBondContact ND2-O 2.86Å; N115-I169 HydrophobicContact CB-CG1 3.84Å; N115-I169 WeakPolarHBondContact OD1-CA 3.43Å; N115-I169 WeakPolarHBondContact OD1-CG1 3.43Å; N115-R172 WeakPolarHBondContact OD1-CD 3.5Å; N115-R172 PolarHBondContact OD1-NH1 3.24Å
116K97.6Very high94.5Very high54 Ų5455.1 Ų55.124%0.23528%0.277CS..EExtended strand (participates in β ladder)trans-120.1142.7-179-52.2176.5-150.1-174.20108.5I84 L103 I106 D107 V114 I145 P146I84-K116 WeakPolarHBondContact O-CA 3.21Å; L103-K116 HydrophobicContact CD2-CD 4.37Å; I106-K116 HydrophobicContact CG2-CD 4.2Å; I106-K116 HydrophobicContact CG2-CG 4.46Å; D107-K116 IonicContact OD1-NZ 3.26Å; D107-K116 PolarHBondContact OD1-NZ 2.93Å; V114-K116 HydrophobicContact CG1-CG 4.44Å; K116-I145 HydrophobicContact CB-CB 4.42Å; K116-I145 HydrophobicContact CB-CG2 3.82Å; K116-I145 HydrophobicContact CD-CG2 4.41Å; K116-P146 WeakPolarHBondContact O-CD 2.9Å
117L98.3Very high94.6Very high2 Ų261.6 Ų61.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-137.3131.4173.9171.868.4000108.3I84 I85 V86 V119 P146 A161 M165I84-L117 PolarHBondContact O-N 3.38Å; I85-L117 WeakPolarHBondContact CA-O 3.49Å; I85-L117 HydrophobicContact CD1-CD2 4.23Å; I85-L117 HydrophobicContact CG1-CB 4.36Å; I85-L117 HydrophobicContact CG1-CD2 4.17Å; I85-L117 HydrophobicContact CG2-CD2 4.21Å; I85-L117 HydrophobicContact CG2-CG 4.41Å; V86-L117 PolarHBondContact N-O 3.38Å; L117-V119 HydrophobicContact CD2-CG2 3.98Å; L117-V119 HydrophobicContact CG-CG2 4Å; L117-P146 HydrophobicContact CD1-CB 3.74Å; L117-A161 HydrophobicContact CD2-CB 4.15Å; L117-A161 VanDerWaalsContact CD2-O 3.29Å; L117-A161 WeakPolarHBondContact CD2-O 3.23Å; L117-M165 HydrophobicContact CB-CE 3.37Å; L117-M165 HydrophobicContact CD2-CB 4.37Å
118L98.6Very high94.8Very high1 Ų162.9 Ų62.91%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-93.2132.4171.8-174.563.4000110.1V86 Y88 F96 V99 F139 A140 I145 P146 F147 L148V86-L118 HydrophobicContact CB-CD1 4.27Å; V86-L118 HydrophobicContact CG1-CD1 4.46Å; Y88-L118 HydrophobicContact CD1-CD1 3.87Å; Y88-L118 HydrophobicContact CD1-CG 4.31Å; Y88-L118 HydrophobicContact CE1-CD1 4.12Å; Y88-L118 HydrophobicContact CE1-CD2 4.27Å; Y88-L118 HydrophobicContact CE1-CG 4.04Å; F96-L118 HydrophobicContact CE2-CD2 4.5Å; V99-L118 HydrophobicContact CG1-CD1 3.71Å; V99-L118 HydrophobicContact CG2-CD1 4.07Å; L118-F139 HydrophobicContact CD2-CD1 4.01Å; L118-F139 HydrophobicContact CD2-CE1 4.41Å; L118-A140 HydrophobicContact CD2-CB 4.07Å; L118-I145 HydrophobicContact CB-CD1 4.04Å; L118-P146 PolarHBondContact N-O 3.12Å; L118-F147 HydrophobicContact CB-CD2 4Å; L118-F147 HydrophobicContact CD2-CD2 3.89Å; L118-F147 HydrophobicContact CD2-CE2 4.36Å; L118-F147 HydrophobicContact CG-CD2 3.81Å; L118-F147 HydrophobicContact CG-CE2 4.32Å; L118-F147 WeakPolarHBondContact O-CA 3.16Å; L118-F147 WeakPolarHBondContact O-CD2 3.5Å; L118-L148 PolarHBondContact O-N 3.27Å; L118-L148 VanDerWaalsContact O-N 3.11Å
119V98.7Very high95.1Very high1 Ų157.7 Ų57.71%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-127120.2178.2172.20000110.7L24 I85 V86 V87 Y88 L117 L148 T150 A161L24-V119 HydrophobicContact CD1-CG1 4.07Å; I85-V119 HydrophobicContact CG2-CB 4.1Å; I85-V119 HydrophobicContact CG2-CG2 3.48Å; I85-V119 VanDerWaalsContact CG2-CG2 3.48Å; V86-V119 PolarHBondContact O-N 3.47Å; V87-V119 WeakPolarHBondContact CA-O 3.25Å; V87-V119 HydrophobicContact CG1-CG1 4.38Å; V87-V119 HydrophobicContact CG2-CB 4.38Å; Y88-V119 VanDerWaalsContact CD1-O 3.3Å; Y88-V119 WeakPolarHBondContact CD1-O 3.28Å; Y88-V119 PolarHBondContact N-O 2.96Å; L117-V119 HydrophobicContact CD2-CG2 3.98Å; L117-V119 HydrophobicContact CG-CG2 4Å; V119-L148 CarbonylContact C-O 3.59Å; V119-L148 VanDerWaalsContact CA-O 3.3Å; V119-L148 WeakPolarHBondContact CA-O 3.28Å; V119-T150 HydrophobicContact CG1-CG2 3.65Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.44Å; V119-A161 HydrophobicContact CG2-CB 4.26Å
120G98.6Very high95.4Very high0 Ų056.9 Ų56.90%030%0.304CS..EExtended strand (participates in β ladder)trans-93101.916900000110.5Y88 L148 E149 T150Y88-G120 VanDerWaalsContact CZ-CA 3.42Å; G120-L148 PolarHBondContact N-O 2.82Å; G120-E149 CarbonylContact O-C 3.42Å; G120-E149 WeakPolarHBondContact O-CA 3.38Å; G120-T150 PolarHBondContact O-N 3.16Å
121N98.5Very high95.7Very high3 Ų356 Ų562%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-88.1167.5-175.6-16732.8000112.6V19 L24 V87 Y88 V90 T150 A152V19-N121 PolarHBondContact O-ND2 3.15Å; L24-N121 HydrophobicContact CD1-CB 4.25Å; V87-N121 HydrophobicContact CG1-CB 3.84Å; Y88-N121 PolarHBondContact O-N 3.24Å; V90-N121 WeakPolarHBondContact CG1-O 3.49Å; V90-N121 WeakPolarHBondContact CG2-O 3.14Å; V90-N121 PolarHBondContact N-O 2.84Å; N121-T150 CarbonylContact C-O 3.33Å; N121-T150 VanDerWaalsContact CA-O 3.28Å; N121-T150 WeakPolarHBondContact CA-O 3.27Å; N121-T150 PolarHBondContact OD1-O 3.49Å; N121-T150 PolarHBondContact OD1-OG1 2.89Å; N121-A152 PolarHBondContact OD1-N 3.2Å
122K97.8Very high96Very high57 Ų5757.9 Ų57.925%0.24830%0.302CS..  trans65.932.2-178.5-45.1-169.7-163.1164.90113.9G18 D89 V90 D124 L125 T150G18-K122 WeakPolarHBondContact O-CE 3.23Å; G18-K122 PolarHBondContact O-NZ 2.63Å; D89-K122 VanDerWaalsContact OD2-CD 3.24Å; D89-K122 WeakPolarHBondContact OD2-CD 3.3Å; D89-K122 WeakPolarHBondContact OD2-CE 3.38Å; D89-K122 IonicContact OD2-NZ 2.64Å; D89-K122 PolarHBondContact OD2-NZ 3.45Å; V90-K122 WeakPolarHBondContact CG2-O 3.15Å; K122-D124 WeakPolarHBondContact CA-OD1 3.49Å; K122-D124 PolarHBondContact O-N 2.94Å; K122-L125 HydrophobicContact CB-CD1 4.17Å; K122-L125 HydrophobicContact CB-CG 4.5Å; K122-L125 HydrophobicContact CD-CD1 4.33Å; K122-L125 PolarHBondContact O-N 3.23Å; K122-T150 PolarHBondContact N-O 3.19Å
123C97.6Very high96.7Very high24 Ų2453.7 Ų53.716%0.16228%0.279CS..THydrogen-bonded Turntrans-63.7-11.217875.10000114.1L125 E149 T150C123-L125 VanDerWaalsContact C-N 3.25Å; C123-L125 PolarHBondContact O-N 3.26Å; C123-E149 HydrophobicContact CB-CB 3.97Å; C123-T150 PolarHBondContact N-O 2.97Å; C123-T150 VanDerWaalsContact N-O 3.08Å; C123-T150 PolarHBondContact SG-O 3.11Å; C123-T150 VanDerWaalsContact SG-O 3.33Å
124D97.1Very high97.2Very high45 Ų4552 Ų5224%0.24127%0.273CS..THydrogen-bonded Turntrans-66.7-23.8170.658.2-74.1000113.3K122 T126 S151K122-D124 WeakPolarHBondContact CA-OD1 3.49Å; K122-D124 PolarHBondContact O-N 2.94Å; D124-T126 PolarHBondContact O-N 2.97Å; D124-S151 VanDerWaalsContact CG-OG 3.23Å; D124-S151 WeakPolarHBondContact OD1-CB 3.27Å; D124-S151 PolarHBondContact OD1-OG 3.49Å
125L95.4Very high97.2Very high58 Ų5854.7 Ų54.730%0.30429%0.289SS..  trans-85.655.5-179.2-60.9-180000112.3T91 K122 C123 T127 K128 K129T91-L125 HydrophobicContact CG2-CB 3.64Å; T91-L125 HydrophobicContact CG2-CD1 3.96Å; T91-L125 HydrophobicContact CG2-CG 4.45Å; K122-L125 HydrophobicContact CB-CD1 4.17Å; K122-L125 HydrophobicContact CB-CG 4.5Å; K122-L125 HydrophobicContact CD-CD1 4.33Å; K122-L125 PolarHBondContact O-N 3.23Å; C123-L125 VanDerWaalsContact C-N 3.25Å; C123-L125 PolarHBondContact O-N 3.26Å; L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.41Å; L125-T127 VanDerWaalsContact O-N 3.14Å; L125-K128 HydrophobicContact CB-CB 4.39Å; L125-K128 PolarHBondContact O-N 3.02Å; L125-K129 PolarHBondContact O-N 3.23Å
126T93.9Very high97.2Very high105 Ų10553.6 Ų53.664%0.64428%0.283SS*.G310 helixtrans-52.3-38.9-173.553.30000114.4D124 K128 K129D124-T126 PolarHBondContact O-N 2.97Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.01Å; T126-K129 WeakPolarHBondContact O-CB 3.47Å; T126-K129 PolarHBondContact O-N 2.94Å
127T96.1Very high97.3Very high137 Ų13754 Ų5484%0.8429%0.285SS*.G310 helixtrans-75.4-17-179.2570000114.4L125L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.41Å; L125-T127 VanDerWaalsContact O-N 3.14Å
128K96Very high97.2Very high137 Ų13760.5 Ų60.560%0.59632%0.315SS*.G310 helixtrans-105.20.8178.2-62.9-174.1178.4-176.40112.3T91 L125 T126 V130T91-K128 WeakPolarHBondContact CA-O 3.39Å; T91-K128 VanDerWaalsContact CB-O 3.32Å; T91-K128 WeakPolarHBondContact CB-O 3.43Å; T91-K128 HydrophobicContact CG2-CB 3.77Å; L125-K128 HydrophobicContact CB-CB 4.39Å; L125-K128 PolarHBondContact O-N 3.02Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.01Å; K128-V130 PolarHBondContact O-N 3.36Å
129K97.1Very high97.2Very high65 Ų6562.1 Ų62.128%0.28332%0.323SS..  trans-64127.1-179-174.3170.3-178.8171.30109.4V90 L125 T126 V131 E149V90-K129 HydrophobicContact CB-CG 4.2Å; V90-K129 HydrophobicContact CG2-CD 4.49Å; V90-K129 HydrophobicContact CG2-CG 4.19Å; L125-K129 PolarHBondContact O-N 3.23Å; T126-K129 WeakPolarHBondContact O-CB 3.47Å; T126-K129 PolarHBondContact O-N 2.94Å; K129-V131 WeakPolarHBondContact CE-O 3.23Å; K129-E149 WeakPolarHBondContact CE-OE1 3.48Å; K129-E149 IonicContact NZ-OE1 2.86Å; K129-E149 PolarHBondContact NZ-OE1 3.37Å; K129-E149 IonicContact NZ-OE2 2.77Å; K129-E149 PolarHBondContact NZ-OE2 3.25Å
130V97.8Very high97.2Very high77 Ų7762 Ų6247%0.46732%0.322SS..  trans-120.3-19178.3-58.60000112.4V90 T91 Q93 K128V90-V130 PolarHBondContact O-N 3.1Å; T91-V130 VanDerWaalsContact C-CG2 3.49Å; Q93-V130 HydrophobicContact CB-CG2 4.02Å; K128-V130 PolarHBondContact O-N 3.36Å
131V97.8Very high97.1Very high1 Ų166.1 Ų66.11%0.00634%0.344CS..SBendtrans-99.7112.1175.3-174.20000109.2Y88 V90 F96 K129 A136Y88-V131 HydrophobicContact CD2-CG2 4.49Å; Y88-V131 HydrophobicContact CE2-CB 3.98Å; Y88-V131 HydrophobicContact CE2-CG1 3.74Å; Y88-V131 HydrophobicContact CE2-CG2 4.13Å; V90-V131 PolarHBondContact O-N 3.31Å; F96-V131 HydrophobicContact CB-CG1 4.28Å; F96-V131 HydrophobicContact CB-CG2 3.81Å; F96-V131 HydrophobicContact CD1-CG1 4.08Å; F96-V131 HydrophobicContact CD2-CG1 3.92Å; F96-V131 HydrophobicContact CE1-CG1 4.4Å; F96-V131 HydrophobicContact CE2-CG1 4.26Å; F96-V131 HydrophobicContact CG-CG1 3.82Å; F96-V131 HydrophobicContact CG-CG2 4.25Å; F96-V131 HydrophobicContact CZ-CG1 4.48Å; K129-V131 WeakPolarHBondContact CE-O 3.23Å; V131-A136 HydrophobicContact CG1-CB 4.25Å
132D96.8Very high97Very high101 Ų10170.4 Ų70.454%0.5437%0.374SS..  trans-67.7141.4178.1-71.7-33.2000112.3T134 T135 A136D132-T134 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 3.31Å; D132-T135 PolarHBondContact O-N 3.4Å; D132-A136 PolarHBondContact O-N 3.47Å; D132-A136 VanDerWaalsContact O-N 3.09Å
133Y97.1Very high96.8Very high103 Ų10371.6 Ų71.640%0.40438%0.383SS..Hα-helixtrans-58.6-44.6179.3179-87000111.4T135 A136 K137 F147 E149Y133-T135 PolarHBondContact O-N 2.81Å; Y133-A136 PolarHBondContact O-N 3.14Å; Y133-K137 HydrophobicContact CD1-CB 4.29Å; Y133-K137 HydrophobicContact CE1-CB 4Å; Y133-K137 HydrophobicContact CE1-CG 4.19Å; Y133-K137 WeakPolarHBondContact O-CB 3.21Å; Y133-K137 PolarHBondContact O-N 2.9Å; Y133-F147 AromaticContact CD2-CE1 3.59Å; Y133-F147 HydrophobicContact CD2-CE1 3.59Å; Y133-F147 HydrophobicContact CD2-CZ 4.22Å; Y133-F147 HydrophobicContact CE1-CE1 4.49Å; Y133-F147 AromaticContact CE2-CD1 3.98Å; Y133-F147 HydrophobicContact CE2-CD1 3.98Å; Y133-F147 AromaticContact CE2-CE1 3.43Å; Y133-F147 HydrophobicContact CE2-CE1 3.43Å; Y133-F147 VanDerWaalsContact CE2-CE1 3.43Å; Y133-F147 HydrophobicContact CE2-CZ 4.28Å; Y133-F147 HydrophobicContact CG-CE1 4.19Å; Y133-F147 AromaticContact CZ-CE1 3.92Å; Y133-E149 HydrophobicContact CD2-CG 3.82Å; Y133-E149 HydrophobicContact CE2-CG 4.24Å
134T97.2Very high96.7Very high86 Ų8673.7 Ų73.753%0.52841%0.409SS..Hα-helixtrans-60.7-46.2-179.146.40000111.2D132 A136 K137 E138D132-T134 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 3.31Å; T134-A136 PolarHBondContact O-N 3.26Å; T134-K137 PolarHBondContact O-N 2.57Å; T134-E138 WeakPolarHBondContact O-CB 3.44Å; T134-E138 WeakPolarHBondContact O-CG 3.48Å; T134-E138 PolarHBondContact O-N 3.23Å
135T96.6Very high96.7Very high68 Ų6872.3 Ų72.342%0.41740%0.401SS..Hα-helixtrans-61.1-45.9178.1-58.30000111.9D132 Y133 F139D132-T135 PolarHBondContact O-N 3.4Å; Y133-T135 PolarHBondContact O-N 2.81Å; T135-F139 WeakPolarHBondContact O-CB 3.38Å; T135-F139 PolarHBondContact O-N 2.86Å
136A97.5Very high96.7Very high0 Ų071.7 Ų71.70%040%0.4CS..Hα-helixtrans-67.6-36.7177.400000112.6Y88 F96 V131 D132 Y133 T134 F139 A140 F147Y88-A136 WeakPolarHBondContact OH-CB 3.29Å; F96-A136 HydrophobicContact CE2-CB 3.73Å; F96-A136 HydrophobicContact CZ-CB 4.12Å; V131-A136 HydrophobicContact CG1-CB 4.25Å; D132-A136 PolarHBondContact O-N 3.47Å; D132-A136 VanDerWaalsContact O-N 3.09Å; Y133-A136 PolarHBondContact O-N 3.14Å; T134-A136 PolarHBondContact O-N 3.26Å; A136-F139 PolarHBondContact O-N 3.33Å; A136-A140 WeakPolarHBondContact O-CB 3.5Å; A136-A140 PolarHBondContact O-N 3.13Å; A136-F147 HydrophobicContact CB-CE1 3.88Å; A136-F147 HydrophobicContact CB-CE2 3.96Å; A136-F147 HydrophobicContact CB-CZ 3.49Å; A136-F147 VanDerWaalsContact CB-CZ 3.49Å
137K97.9Very high97Very high63 Ų6367.1 Ų67.127%0.27437%0.372SS..Hα-helixtrans-66.6-48177.1179.356.1179.4151.40111.8Y133 T134 F139 A140 D141 F147Y133-K137 HydrophobicContact CD1-CB 4.29Å; Y133-K137 HydrophobicContact CE1-CB 4Å; Y133-K137 HydrophobicContact CE1-CG 4.19Å; Y133-K137 WeakPolarHBondContact O-CB 3.21Å; Y133-K137 PolarHBondContact O-N 2.9Å; T134-K137 PolarHBondContact O-N 2.57Å; K137-F139 VanDerWaalsContact C-N 3.29Å; K137-F139 PolarHBondContact O-N 3.33Å; K137-A140 PolarHBondContact O-N 3.47Å; K137-D141 WeakPolarHBondContact CE-OD1 3.31Å; K137-D141 WeakPolarHBondContact CE-OD2 3.14Å; K137-D141 VanDerWaalsContact NZ-CG 3.34Å; K137-D141 IonicContact NZ-OD1 2.65Å; K137-D141 PolarHBondContact NZ-OD1 3.42Å; K137-D141 IonicContact NZ-OD2 3.81Å; K137-D141 PolarHBondContact NZ-OD2 3.41Å; K137-D141 WeakPolarHBondContact O-CB 3.45Å; K137-D141 VanDerWaalsContact O-CG 3.29Å; K137-D141 PolarHBondContact O-N 2.86Å; K137-F147 HydrophobicContact CB-CD1 3.81Å; K137-F147 HydrophobicContact CB-CE1 4.14Å; K137-F147 HydrophobicContact CD-CB 4.27Å; K137-F147 HydrophobicContact CD-CD1 3.96Å; K137-F147 HydrophobicContact CG-CD1 4.46Å
138E98.1Very high97.1Very high138 Ų13861.7 Ų61.765%0.64534%0.337SS*.Hα-helixtrans-59.6-41.2175.2-74.5173.9-174.800111.5T134 D141 S142T134-E138 WeakPolarHBondContact O-CB 3.44Å; T134-E138 WeakPolarHBondContact O-CG 3.48Å; T134-E138 PolarHBondContact O-N 3.23Å; E138-D141 PolarHBondContact O-N 2.92Å; E138-S142 WeakPolarHBondContact O-CB 3.32Å; E138-S142 PolarHBondContact O-N 2.9Å
139F97.7Very high97.2Very high35 Ų3556.2 Ų56.215%0.15431%0.314CS..Hα-helixtrans-60.4-48.1174.3174.9-105.4000111.8F96 V99 K100 L103 L118 T135 A136 K137 S142 L143F96-F139 HydrophobicContact CE2-CD1 4.24Å; F96-F139 HydrophobicContact CZ-CB 4.12Å; F96-F139 HydrophobicContact CZ-CD1 4.1Å; F96-F139 HydrophobicContact CZ-CG 4.18Å; V99-F139 HydrophobicContact CB-CE1 4.47Å; V99-F139 HydrophobicContact CG1-CE1 3.74Å; V99-F139 HydrophobicContact CG1-CZ 4.31Å; K100-F139 HydrophobicContact CG-CE2 4.1Å; K100-F139 HydrophobicContact CG-CZ 3.92Å; L103-F139 HydrophobicContact CD1-CE1 4.2Å; L103-F139 HydrophobicContact CD1-CZ 3.93Å; L118-F139 HydrophobicContact CD2-CD1 4.01Å; L118-F139 HydrophobicContact CD2-CE1 4.41Å; T135-F139 WeakPolarHBondContact O-CB 3.38Å; T135-F139 PolarHBondContact O-N 2.86Å; A136-F139 PolarHBondContact O-N 3.33Å; K137-F139 VanDerWaalsContact C-N 3.29Å; K137-F139 PolarHBondContact O-N 3.33Å; F139-S142 PolarHBondContact O-N 3.27Å; F139-S142 PolarHBondContact O-OG 3.29Å; F139-L143 HydrophobicContact CD1-CD1 4.32Å; F139-L143 HydrophobicContact CE1-CD1 3.72Å; F139-L143 HydrophobicContact CE2-CD1 4.04Å; F139-L143 HydrophobicContact CZ-CD1 3.57Å; F139-L143 WeakPolarHBondContact O-CG 3.47Å; F139-L143 PolarHBondContact O-N 2.9Å
140A97.6Very high97.2Very high0 Ų053.1 Ų53.10%030%0.3CS..Hα-helixtrans-63.4-41.5177.700000112.8L118 A136 K137 S142 L143 G144 I145 F147L118-A140 HydrophobicContact CD2-CB 4.07Å; A136-A140 WeakPolarHBondContact O-CB 3.5Å; A136-A140 PolarHBondContact O-N 3.13Å; K137-A140 PolarHBondContact O-N 3.47Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 2.93Å; A140-L143 CarbonylContact O-C 3.53Å; A140-L143 PolarHBondContact O-N 2.98Å; A140-L143 VanDerWaalsContact O-N 3.1Å; A140-G144 PolarHBondContact O-N 3.48Å; A140-G144 VanDerWaalsContact O-N 3.09Å; A140-I145 CarbonylContact C-O 3.6Å; A140-I145 HydrophobicContact CB-CG1 3.97Å; A140-I145 PolarHBondContact O-N 2.81Å; A140-F147 HydrophobicContact CB-CB 3.59Å; A140-F147 HydrophobicContact CB-CG 4.33Å
141D97.3Very high97.3Very high86 Ų8649.4 Ų49.446%0.4628%0.278SS..Hα-helixtrans-65.2-37.2178.1-72.4-21.7000111.9K137 E138 L143 G144K137-D141 WeakPolarHBondContact CE-OD1 3.31Å; K137-D141 WeakPolarHBondContact CE-OD2 3.14Å; K137-D141 VanDerWaalsContact NZ-CG 3.34Å; K137-D141 IonicContact NZ-OD1 2.65Å; K137-D141 PolarHBondContact NZ-OD1 3.42Å; K137-D141 IonicContact NZ-OD2 3.81Å; K137-D141 PolarHBondContact NZ-OD2 3.41Å; K137-D141 WeakPolarHBondContact O-CB 3.45Å; K137-D141 VanDerWaalsContact O-CG 3.29Å; K137-D141 PolarHBondContact O-N 2.86Å; E138-D141 PolarHBondContact O-N 2.92Å; D141-L143 PolarHBondContact O-N 3.23Å; D141-G144 PolarHBondContact O-N 2.84Å
142S97.2Very high97.2Very high93 Ų9349.5 Ų49.565%0.6528%0.279SS*.Hα-helixtrans-62-23.6174.579.30000113.3E138 F139 A140E138-S142 WeakPolarHBondContact O-CB 3.32Å; E138-S142 PolarHBondContact O-N 2.9Å; F139-S142 PolarHBondContact O-N 3.27Å; F139-S142 PolarHBondContact O-OG 3.29Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 2.93Å
143L94Very high97.1Very high82 Ų8249 Ų4943%0.42927%0.272SS..THydrogen-bonded Turntrans-97.6-5.4176.9-60.5173.3000112.7L103 F139 A140 D141 I145L103-L143 HydrophobicContact CD1-CD1 3.42Å; L103-L143 VanDerWaalsContact CD1-CD1 3.42Å; F139-L143 HydrophobicContact CD1-CD1 4.32Å; F139-L143 HydrophobicContact CE1-CD1 3.72Å; F139-L143 HydrophobicContact CE2-CD1 4.04Å; F139-L143 HydrophobicContact CZ-CD1 3.57Å; F139-L143 WeakPolarHBondContact O-CG 3.47Å; F139-L143 PolarHBondContact O-N 2.9Å; A140-L143 CarbonylContact O-C 3.53Å; A140-L143 PolarHBondContact O-N 2.98Å; A140-L143 VanDerWaalsContact O-N 3.1Å; D141-L143 PolarHBondContact O-N 3.23Å; L143-I145 VanDerWaalsContact C-N 3.28Å; L143-I145 HydrophobicContact CB-CD1 4.4Å; L143-I145 HydrophobicContact CB-CG1 4.17Å; L143-I145 HydrophobicContact CB-CG2 4.31Å; L143-I145 HydrophobicContact CD1-CD1 4.13Å; L143-I145 PolarHBondContact O-N 3.24Å
144G95.1Very high97.1Very high68 Ų6848.3 Ų48.370%0.70128%0.275SS*.THydrogen-bonded Turntrans65.527.8-175.100000113.9A140 D141A140-G144 PolarHBondContact O-N 3.48Å; A140-G144 VanDerWaalsContact O-N 3.09Å; D141-G144 PolarHBondContact O-N 2.84Å
145I95.8Very high97Very high16 Ų1646.2 Ų46.28%0.08227%0.266CS..  trans-109.5144.2179.468.6178.9000110.8L103 K116 L118 A140 L143L103-I145 HydrophobicContact CD2-CD1 4.45Å; K116-I145 HydrophobicContact CB-CB 4.42Å; K116-I145 HydrophobicContact CB-CG2 3.82Å; K116-I145 HydrophobicContact CD-CG2 4.41Å; L118-I145 HydrophobicContact CB-CD1 4.04Å; A140-I145 CarbonylContact C-O 3.6Å; A140-I145 HydrophobicContact CB-CG1 3.97Å; A140-I145 PolarHBondContact O-N 2.81Å; L143-I145 VanDerWaalsContact C-N 3.28Å; L143-I145 HydrophobicContact CB-CD1 4.4Å; L143-I145 HydrophobicContact CB-CG1 4.17Å; L143-I145 HydrophobicContact CB-CG2 4.31Å; L143-I145 HydrophobicContact CD1-CD1 4.13Å; L143-I145 PolarHBondContact O-N 3.24Å
146P97.2Very high97.1Very high44 Ų4445.5 Ų45.529%0.28626%0.262SS..  trans-64.5155.7173.7-17.230.2000111.9K116 L117 L118 T164 E168K116-P146 WeakPolarHBondContact O-CD 2.9Å; L117-P146 HydrophobicContact CD1-CB 3.74Å; L118-P146 PolarHBondContact N-O 3.12Å; P146-T164 HydrophobicContact CB-CG2 4.46Å; P146-E168 HydrophobicContact CG-CG 4.42Å
147F98.4Very high97.1Very high10 Ų1048.4 Ų48.44%0.04428%0.277CS..EExtended strand (participates in β ladder)trans-138.8136.8179.6170.8-119000111.5Y88 L118 Y133 A136 K137 A140 E149Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.46Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.32Å; L118-F147 HydrophobicContact CB-CD2 4Å; L118-F147 HydrophobicContact CD2-CD2 3.89Å; L118-F147 HydrophobicContact CD2-CE2 4.36Å; L118-F147 HydrophobicContact CG-CD2 3.81Å; L118-F147 HydrophobicContact CG-CE2 4.32Å; L118-F147 WeakPolarHBondContact O-CA 3.16Å; L118-F147 WeakPolarHBondContact O-CD2 3.5Å; Y133-F147 AromaticContact CD2-CE1 3.59Å; Y133-F147 HydrophobicContact CD2-CE1 3.59Å; Y133-F147 HydrophobicContact CD2-CZ 4.22Å; Y133-F147 HydrophobicContact CE1-CE1 4.49Å; Y133-F147 AromaticContact CE2-CD1 3.98Å; Y133-F147 HydrophobicContact CE2-CD1 3.98Å; Y133-F147 AromaticContact CE2-CE1 3.43Å; Y133-F147 HydrophobicContact CE2-CE1 3.43Å; Y133-F147 VanDerWaalsContact CE2-CE1 3.43Å; Y133-F147 HydrophobicContact CE2-CZ 4.28Å; Y133-F147 HydrophobicContact CG-CE1 4.19Å; Y133-F147 AromaticContact CZ-CE1 3.92Å; A136-F147 HydrophobicContact CB-CE1 3.88Å; A136-F147 HydrophobicContact CB-CE2 3.96Å; A136-F147 HydrophobicContact CB-CZ 3.49Å; A136-F147 VanDerWaalsContact CB-CZ 3.49Å; K137-F147 HydrophobicContact CB-CD1 3.81Å; K137-F147 HydrophobicContact CB-CE1 4.14Å; K137-F147 HydrophobicContact CD-CB 4.27Å; K137-F147 HydrophobicContact CD-CD1 3.96Å; K137-F147 HydrophobicContact CG-CD1 4.46Å; A140-F147 HydrophobicContact CB-CB 3.59Å; A140-F147 HydrophobicContact CB-CG 4.33Å; F147-E149 HydrophobicContact CE1-CG 4.35Å; F147-E149 HydrophobicContact CE2-CG 4.4Å; F147-E149 HydrophobicContact CZ-CG 3.7Å
148L98.3Very high97.1Very high22 Ų2245.5 Ų45.512%0.11527%0.265CS..EExtended strand (participates in β ladder)trans-139.1143.7174.1-68.1167.5000110.3L118 V119 G120 Q160 A161L118-L148 PolarHBondContact O-N 3.27Å; L118-L148 VanDerWaalsContact O-N 3.11Å; V119-L148 CarbonylContact C-O 3.59Å; V119-L148 VanDerWaalsContact CA-O 3.3Å; V119-L148 WeakPolarHBondContact CA-O 3.28Å; G120-L148 PolarHBondContact N-O 2.82Å; L148-Q160 HydrophobicContact CD1-CG 4.2Å; L148-A161 HydrophobicContact CD1-CB 4.05Å
149E98.5Very high97.1Very high22 Ų2242.8 Ų42.810%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-93.5137.2161.9-76.7-171.9-17700109.9V90 G120 C123 K129 Y133 F147 N157V90-E149 HydrophobicContact CG1-CG 4.26Å; G120-E149 CarbonylContact O-C 3.42Å; G120-E149 WeakPolarHBondContact O-CA 3.38Å; C123-E149 HydrophobicContact CB-CB 3.97Å; K129-E149 WeakPolarHBondContact CE-OE1 3.48Å; K129-E149 IonicContact NZ-OE1 2.86Å; K129-E149 PolarHBondContact NZ-OE1 3.37Å; K129-E149 IonicContact NZ-OE2 2.77Å; K129-E149 PolarHBondContact NZ-OE2 3.25Å; Y133-E149 HydrophobicContact CD2-CG 3.82Å; Y133-E149 HydrophobicContact CE2-CG 4.24Å; F147-E149 HydrophobicContact CE1-CG 4.35Å; F147-E149 HydrophobicContact CE2-CG 4.4Å; F147-E149 HydrophobicContact CZ-CG 3.7Å; E149-N157 VanDerWaalsContact O-CB 3.28Å; E149-N157 WeakPolarHBondContact O-CB 3.31Å; E149-N157 PolarHBondContact O-ND2 2.79Å
150T98.6Very high97.1Very high0 Ų045.6 Ų45.60%027%0.266CS..  trans-130.9160.5-175.863.80000111.9V119 G120 N121 K122 C123 T156 N157 A161V119-T150 HydrophobicContact CG1-CG2 3.65Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.44Å; G120-T150 PolarHBondContact O-N 3.16Å; N121-T150 CarbonylContact C-O 3.33Å; N121-T150 VanDerWaalsContact CA-O 3.28Å; N121-T150 WeakPolarHBondContact CA-O 3.27Å; N121-T150 PolarHBondContact OD1-O 3.49Å; N121-T150 PolarHBondContact OD1-OG1 2.89Å; K122-T150 PolarHBondContact N-O 3.19Å; C123-T150 PolarHBondContact N-O 2.97Å; C123-T150 VanDerWaalsContact N-O 3.08Å; C123-T150 PolarHBondContact SG-O 3.11Å; C123-T150 VanDerWaalsContact SG-O 3.33Å; T150-T156 CarbonylContact C-O 3.45Å; T150-T156 VanDerWaalsContact CA-O 3.23Å; T150-T156 WeakPolarHBondContact CA-O 3.32Å; T150-T156 WeakPolarHBondContact CB-O 3.18Å; T150-N157 HydrophobicContact CG2-CB 3.96Å; T150-A161 HydrophobicContact CG2-CB 4.17Å
151S98.1Very high97.1Very high0 Ų045.8 Ų45.80%027%0.267CS..  trans-135.8113.7163.3169.90000110D124 K153 N154 A155 T156 V158D124-S151 VanDerWaalsContact CG-OG 3.23Å; D124-S151 WeakPolarHBondContact OD1-CB 3.27Å; D124-S151 PolarHBondContact OD1-OG 3.49Å; S151-K153 PolarHBondContact O-N 2.79Å; S151-K153 PolarHBondContact OG-N 2.89Å; S151-N154 WeakPolarHBondContact CB-OD1 3.31Å; S151-N154 PolarHBondContact OG-N 2.77Å; S151-N154 PolarHBondContact OG-OD1 2.89Å; S151-A155 CarbonylContact O-C 3.56Å; S151-A155 WeakPolarHBondContact O-CA 3.2Å; S151-A155 PolarHBondContact O-N 3.44Å; S151-T156 PolarHBondContact N-O 3.23Å; S151-T156 PolarHBondContact O-N 3.31Å; S151-V158 WeakPolarHBondContact O-CG2 3.26Å
152A96.4Very high97.1Very high3 Ų341.9 Ų41.93%0.02525%0.246CC..THydrogen-bonded Turntrans-61.3-27.5170.400000112.5C23 L24 R27 Y33 N121C23-A152 HydrophobicContact CB-CB 3.62Å; L24-A152 HydrophobicContact CD2-CB 4Å; L24-A152 HydrophobicContact CG-CB 4.25Å; R27-A152 HydrophobicContact CB-CB 4.48Å; R27-A152 PolarHBondContact NE-O 3.18Å; Y33-A152 HydrophobicContact CD2-CB 4.28Å; Y33-A152 HydrophobicContact CE2-CB 4.46Å; N121-A152 PolarHBondContact OD1-N 3.2Å
153K95.4Very high97.1Very high91 Ų9139.9 Ų39.940%0.39623%0.227SC..THydrogen-bonded Turntrans-67.4-52.1-177.2-178.2165.5177.7155.40111.4R27 Y33 E35 S151R27-K153 PolarHBondContact NH2-O 3.23Å; Y33-K153 HydrophobicContact CD1-CG 4.29Å; Y33-K153 HydrophobicContact CD2-CB 4.39Å; Y33-K153 HydrophobicContact CE1-CB 4.14Å; Y33-K153 HydrophobicContact CE1-CD 4.19Å; Y33-K153 HydrophobicContact CE1-CG 3.82Å; Y33-K153 HydrophobicContact CE2-CB 3.95Å; E35-K153 IonicContact OE1-NZ 2.76Å; E35-K153 PolarHBondContact OE1-NZ 2.71Å; S151-K153 PolarHBondContact O-N 2.79Å; S151-K153 PolarHBondContact OG-N 2.89Å
154N95.6Very high97.3Very high87 Ų8737.8 Ų37.847%0.46522%0.218SC..THydrogen-bonded Turntrans-106.910.6-177.572.111.5000114.1S151 T156S151-N154 WeakPolarHBondContact CB-OD1 3.31Å; S151-N154 PolarHBondContact OG-N 2.77Å; S151-N154 PolarHBondContact OG-OD1 2.89Å; N154-T156 VanDerWaalsContact CG-OG1 3.32Å; N154-T156 PolarHBondContact ND2-OG1 2.96Å; N154-T156 PolarHBondContact O-N 2.93Å; N154-T156 VanDerWaalsContact OD1-CB 3.25Å; N154-T156 WeakPolarHBondContact OD1-CB 3.36Å; N154-T156 PolarHBondContact OD1-N 2.97Å; N154-T156 PolarHBondContact OD1-OG1 2.79Å
155A96.4Very high97.4Very high42 Ų4234.7 Ų34.735%0.34719%0.186SC..  trans66.87.7-179.400000116.5R27 S151 N157 V158R27-A155 HydrophobicContact CG-CB 4.23Å; S151-A155 CarbonylContact O-C 3.56Å; S151-A155 WeakPolarHBondContact O-CA 3.2Å; S151-A155 PolarHBondContact O-N 3.44Å; A155-N157 PolarHBondContact O-N 2.87Å; A155-N157 VanDerWaalsContact O-N 3.15Å; A155-V158 PolarHBondContact O-N 3.31Å
156T98.3Very high97.4Very high54 Ų5434 Ų3433%0.33118%0.182SC..THydrogen-bonded Turntrans-54.9122.5178.8-60.80000110.8T150 S151 N154 V158T150-T156 CarbonylContact C-O 3.45Å; T150-T156 VanDerWaalsContact CA-O 3.23Å; T150-T156 WeakPolarHBondContact CA-O 3.32Å; T150-T156 WeakPolarHBondContact CB-O 3.18Å; S151-T156 PolarHBondContact N-O 3.23Å; S151-T156 PolarHBondContact O-N 3.31Å; N154-T156 VanDerWaalsContact CG-OG1 3.32Å; N154-T156 PolarHBondContact ND2-OG1 2.96Å; N154-T156 PolarHBondContact O-N 2.93Å; N154-T156 VanDerWaalsContact OD1-CB 3.25Å; N154-T156 WeakPolarHBondContact OD1-CB 3.36Å; N154-T156 PolarHBondContact OD1-N 2.97Å; N154-T156 PolarHBondContact OD1-OG1 2.79Å; T156-V158 PolarHBondContact O-N 2.9Å
157N97.9Very high97.4Very high60 Ų6033.7 Ų33.732%0.32118%0.183SC..THydrogen-bonded Turntrans55.110177.9-64-26000116.5E149 T150 A155 Q160 A161E149-N157 VanDerWaalsContact O-CB 3.28Å; E149-N157 WeakPolarHBondContact O-CB 3.31Å; E149-N157 PolarHBondContact O-ND2 2.79Å; T150-N157 HydrophobicContact CG2-CB 3.96Å; A155-N157 PolarHBondContact O-N 2.87Å; A155-N157 VanDerWaalsContact O-N 3.15Å; N157-Q160 HydrophobicContact CB-CB 4.47Å; N157-Q160 PolarHBondContact O-N 2.97Å; N157-Q160 PolarHBondContact OD1-OE1 2.85Å; N157-A161 WeakPolarHBondContact O-CB 3.49Å; N157-A161 PolarHBondContact O-N 3Å
158V97.9Very high97.2Very high3 Ų336.4 Ų36.42%0.01820%0.196CC..Hα-helixtrans-64.7-53-178.2179.30000110.3L24 R27 F28 S151 A155 T156 Q160 A161 F162L24-V158 HydrophobicContact CD2-CB 4.47Å; L24-V158 HydrophobicContact CD2-CG1 4.17Å; L24-V158 HydrophobicContact CD2-CG2 3.71Å; R27-V158 HydrophobicContact CB-CG1 4.21Å; R27-V158 HydrophobicContact CG-CB 4.15Å; R27-V158 HydrophobicContact CG-CG1 3.89Å; R27-V158 HydrophobicContact CG-CG2 4.03Å; F28-V158 HydrophobicContact CB-CG1 4Å; S151-V158 WeakPolarHBondContact O-CG2 3.26Å; A155-V158 PolarHBondContact O-N 3.31Å; T156-V158 PolarHBondContact O-N 2.9Å; V158-Q160 VanDerWaalsContact C-N 3.3Å; V158-Q160 PolarHBondContact O-N 2.9Å; V158-A161 PolarHBondContact O-N 2.55Å; V158-F162 HydrophobicContact CG1-CD2 4.44Å; V158-F162 HydrophobicContact CG1-CE2 4.18Å; V158-F162 VanDerWaalsContact O-CD2 3.29Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å
159E96.8Very high97Very high80 Ų8035.4 Ų35.437%0.37419%0.191SC..Hα-helixtrans-56.4-46.9175.1-168.172.5-175.400111F28 R48 A161 F162 M163F28-E159 VanDerWaalsContact CD2-OE2 3.31Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.44Å; F28-E159 VanDerWaalsContact CE2-OE2 3.27Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.34Å; R48-E159 IonicContact CZ-OE1 2.87Å; R48-E159 IonicContact CZ-OE2 3.5Å; R48-E159 IonicContact NH1-OE1 3.79Å; R48-E159 IonicContact NH1-OE2 3.51Å; R48-E159 PolarHBondContact NH1-OE2 2.92Å; R48-E159 IonicContact NH2-OE1 2.75Å; R48-E159 PolarHBondContact NH2-OE1 3.28Å; R48-E159 IonicContact NH2-OE2 2.77Å; R48-E159 PolarHBondContact NH2-OE2 3.16Å; E159-A161 VanDerWaalsContact C-N 3.28Å; E159-A161 PolarHBondContact O-N 3.43Å; E159-F162 PolarHBondContact O-N 2.85Å; E159-M163 HydrophobicContact CG-CG 4.11Å; E159-M163 WeakPolarHBondContact O-CB 3.47Å; E159-M163 WeakPolarHBondContact O-CG 3.31Å; E159-M163 PolarHBondContact O-N 3.46Å
160Q97.7Very high96.8Very high95 Ų9535.7 Ų35.744%0.44419%0.192SC..Hα-helixtrans-59.7-37.1-178.3-174.4175-34.700112.3L148 N157 V158 T164L148-Q160 HydrophobicContact CD1-CG 4.2Å; N157-Q160 HydrophobicContact CB-CB 4.47Å; N157-Q160 PolarHBondContact O-N 2.97Å; N157-Q160 PolarHBondContact OD1-OE1 2.85Å; V158-Q160 VanDerWaalsContact C-N 3.3Å; V158-Q160 PolarHBondContact O-N 2.9Å; Q160-T164 VanDerWaalsContact O-CB 3.22Å; Q160-T164 WeakPolarHBondContact O-CB 3.23Å; Q160-T164 PolarHBondContact O-N 3.39Å; Q160-T164 PolarHBondContact O-OG1 3.03Å
161A98.2Very high96.5Very high3 Ų343.2 Ų43.23%0.02522%0.224CC..Hα-helixtrans-62.5-48.3178.700000112.3L117 V119 L148 T150 N157 V158 E159 M165L117-A161 HydrophobicContact CD2-CB 4.15Å; L117-A161 VanDerWaalsContact CD2-O 3.29Å; L117-A161 WeakPolarHBondContact CD2-O 3.23Å; V119-A161 HydrophobicContact CG2-CB 4.26Å; L148-A161 HydrophobicContact CD1-CB 4.05Å; T150-A161 HydrophobicContact CG2-CB 4.17Å; N157-A161 WeakPolarHBondContact O-CB 3.49Å; N157-A161 PolarHBondContact O-N 3Å; V158-A161 PolarHBondContact O-N 2.55Å; E159-A161 VanDerWaalsContact C-N 3.28Å; E159-A161 PolarHBondContact O-N 3.43Å; A161-M165 PolarHBondContact O-N 2.87Å; A161-M165 VanDerWaalsContact O-N 3.1Å
162F97.9Very high96.2Very high4 Ų447.8 Ų47.82%0.01824%0.242CC..Hα-helixtrans-70.7-37.6178.7-69.3-81.2000112.3L11 L13 F28 I61 I85 V158 E159 M165 A166L11-F162 HydrophobicContact CD1-CD1 4.09Å; L13-F162 HydrophobicContact CD1-CZ 4.36Å; L13-F162 HydrophobicContact CD2-CE1 3.97Å; L13-F162 HydrophobicContact CD2-CZ 4.12Å; F28-F162 HydrophobicContact CB-CD2 3.68Å; F28-F162 HydrophobicContact CB-CE2 3.5Å; F28-F162 VanDerWaalsContact CB-CE2 3.5Å; F28-F162 HydrophobicContact CB-CZ 4.21Å; F28-F162 HydrophobicContact CD1-CB 4.34Å; F28-F162 HydrophobicContact CD1-CD1 4.15Å; F28-F162 AromaticContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CE1 4.44Å; F28-F162 HydrophobicContact CD1-CE2 4.17Å; F28-F162 AromaticContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CG 3.85Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.86Å; F28-F162 AromaticContact CD2-CD2 3.36Å; F28-F162 HydrophobicContact CD2-CD2 3.36Å; F28-F162 HydrophobicContact CD2-CE2 4.13Å; F28-F162 AromaticContact CD2-CG 3.79Å; F28-F162 HydrophobicContact CD2-CG 3.79Å; F28-F162 HydrophobicContact CE1-CB 3.97Å; F28-F162 HydrophobicContact CE1-CD1 4.23Å; F28-F162 HydrophobicContact CE1-CD2 4.34Å; F28-F162 AromaticContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE1-CG 3.93Å; F28-F162 HydrophobicContact CE2-CB 3.43Å; F28-F162 VanDerWaalsContact CE2-CB 3.43Å; F28-F162 AromaticContact CE2-CD2 3.91Å; F28-F162 HydrophobicContact CE2-CD2 3.91Å; F28-F162 AromaticContact CE2-CG 3.87Å; F28-F162 HydrophobicContact CE2-CG 3.87Å; F28-F162 HydrophobicContact CG-CB 4.3Å; F28-F162 HydrophobicContact CG-CD1 4.45Å; F28-F162 AromaticContact CG-CD2 3.33Å; F28-F162 HydrophobicContact CG-CD2 3.33Å; F28-F162 AromaticContact CG-CE2 3.68Å; F28-F162 HydrophobicContact CG-CE2 3.68Å; F28-F162 AromaticContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CG 3.78Å; F28-F162 HydrophobicContact CG-CZ 4.36Å; F28-F162 HydrophobicContact CZ-CB 3.5Å; F28-F162 HydrophobicContact CZ-CD2 4.38Å; F28-F162 AromaticContact CZ-CG 3.95Å; F28-F162 HydrophobicContact CZ-CG 3.95Å; I61-F162 HydrophobicContact CD1-CD1 3.9Å; I61-F162 HydrophobicContact CD1-CE1 3.85Å; I61-F162 HydrophobicContact CG2-CE1 4Å; I85-F162 HydrophobicContact CD1-CD1 3.86Å; I85-F162 HydrophobicContact CD1-CE1 3.82Å; I85-F162 HydrophobicContact CD1-CZ 4.49Å; V158-F162 HydrophobicContact CG1-CD2 4.44Å; V158-F162 HydrophobicContact CG1-CE2 4.18Å; V158-F162 VanDerWaalsContact O-CD2 3.29Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å; E159-F162 PolarHBondContact O-N 2.85Å; F162-M165 PolarHBondContact O-N 3.36Å; F162-A166 WeakPolarHBondContact O-CB 3.31Å; F162-A166 PolarHBondContact O-N 3.4Å
163M97.1Very high95.6Very high51 Ų5149.7 Ų49.725%0.25125%0.251SS..Hα-helixtrans-65.2-41.5175.3-67.3-62.7-76.900111.9I50 L52 E159 A166 A167I50-M163 HydrophobicContact CB-SD 4.14Å; I50-M163 HydrophobicContact CD1-CE 4.38Å; I50-M163 HydrophobicContact CD1-SD 3.44Å; I50-M163 WeakPolarHBondContact CD1-SD 3.43Å; I50-M163 HydrophobicContact CG1-SD 4.34Å; I50-M163 HydrophobicContact CG2-SD 4.27Å; L52-M163 HydrophobicContact CB-CE 4.42Å; L52-M163 HydrophobicContact CD1-CE 3.89Å; L52-M163 HydrophobicContact CD1-SD 4.45Å; L52-M163 HydrophobicContact CG-CE 4.38Å; E159-M163 HydrophobicContact CG-CG 4.11Å; E159-M163 WeakPolarHBondContact O-CB 3.47Å; E159-M163 WeakPolarHBondContact O-CG 3.31Å; E159-M163 PolarHBondContact O-N 3.46Å; M163-A166 PolarHBondContact O-N 2.88Å; M163-A167 WeakPolarHBondContact O-CB 3.26Å; M163-A167 PolarHBondContact O-N 2.87Å
164T96.8Very high94.5Very high39 Ų3946.6 Ų46.624%0.23924%0.244CC..Hα-helixtrans-61.2-46.6175.7-600000110.5P146 Q160 A166 A167 E168P146-T164 HydrophobicContact CB-CG2 4.46Å; Q160-T164 VanDerWaalsContact O-CB 3.22Å; Q160-T164 WeakPolarHBondContact O-CB 3.23Å; Q160-T164 PolarHBondContact O-N 3.39Å; Q160-T164 PolarHBondContact O-OG1 3.03Å; T164-A166 PolarHBondContact O-N 3.04Å; T164-A167 PolarHBondContact O-N 3.3Å; T164-E168 WeakPolarHBondContact O-CG 3.43Å; T164-E168 PolarHBondContact O-N 2.82Å
165M97.6Very high92.7Very high3 Ų348.7 Ų48.72%0.01526%0.262CS..Hα-helixtrans-60.3-45.6176.2179.156.779.300111.8L11 I84 I85 N115 L117 A161 F162 A167 E168 I169L11-M165 HydrophobicContact CD1-CG 4.18Å; L11-M165 HydrophobicContact CD2-CG 3.63Å; I84-M165 VanDerWaalsContact O-CE 3.23Å; I84-M165 WeakPolarHBondContact O-CE 3.41Å; I85-M165 HydrophobicContact CD1-CB 4.39Å; I85-M165 HydrophobicContact CG1-CE 3.76Å; I85-M165 HydrophobicContact CG1-CG 4.42Å; N115-M165 HydrophobicContact CB-SD 3.7Å; L117-M165 HydrophobicContact CB-CE 3.37Å; L117-M165 HydrophobicContact CD2-CB 4.37Å; A161-M165 PolarHBondContact O-N 2.87Å; A161-M165 VanDerWaalsContact O-N 3.1Å; F162-M165 PolarHBondContact O-N 3.36Å; M165-A167 VanDerWaalsContact C-N 3.35Å; M165-A167 PolarHBondContact O-N 2.82Å; M165-E168 PolarHBondContact O-N 3.27Å; M165-I169 HydrophobicContact CG-CD1 3.82Å; M165-I169 WeakPolarHBondContact O-CD1 3.47Å; M165-I169 VanDerWaalsContact O-CG1 3.23Å; M165-I169 WeakPolarHBondContact O-CG1 3.43Å; M165-I169 PolarHBondContact O-N 2.65Å; M165-I169 HydrophobicContact SD-CD1 3.83Å; M165-I169 HydrophobicContact SD-CG1 4.04Å
166A96.9Very high90.6Very high0 Ų050.3 Ų50.30%028%0.284CS..Hα-helixtrans-62.4-41.1178.200000112.3F9 I50 L52 L59 F162 M163 T164 I169 K170F9-A166 HydrophobicContact CD2-CB 4.41Å; F9-A166 WeakPolarHBondContact CE2-O 3.25Å; I50-A166 HydrophobicContact CD1-CB 3.75Å; L52-A166 HydrophobicContact CD1-CB 4.07Å; L59-A166 HydrophobicContact CD2-CB 4.21Å; F162-A166 WeakPolarHBondContact O-CB 3.31Å; F162-A166 PolarHBondContact O-N 3.4Å; M163-A166 PolarHBondContact O-N 2.88Å; T164-A166 PolarHBondContact O-N 3.04Å; A166-I169 PolarHBondContact O-N 3.23Å; A166-K170 VanDerWaalsContact O-CB 3.32Å; A166-K170 WeakPolarHBondContact O-CB 3.38Å; A166-K170 PolarHBondContact O-N 2.75Å
167A95.9Very high88.5Confident38 Ų3849.8 Ų49.831%0.31428%0.284SS..Hα-helixtrans-62.6-46.5176.100000111.9L52 M163 T164 M165 I169 K170 K171L52-A167 HydrophobicContact CD1-CB 4.13Å; L52-A167 HydrophobicContact CD2-CB 4.41Å; M163-A167 WeakPolarHBondContact O-CB 3.26Å; M163-A167 PolarHBondContact O-N 2.87Å; T164-A167 PolarHBondContact O-N 3.3Å; M165-A167 VanDerWaalsContact C-N 3.35Å; M165-A167 PolarHBondContact O-N 2.82Å; A167-I169 PolarHBondContact O-N 2.82Å; A167-K170 PolarHBondContact O-N 2.91Å; A167-K171 VanDerWaalsContact O-CB 3.31Å; A167-K171 WeakPolarHBondContact O-CB 3.26Å; A167-K171 PolarHBondContact O-N 3.07Å
168E94.7Very high86Confident68 Ų6850.2 Ų50.232%0.31829%0.29SS..Hα-helixtrans-63-40.7178.9-75.4-59.1137.200112.2N115 P146 T164 M165 R172N115-E168 PolarHBondContact ND2-O 2.86Å; P146-E168 HydrophobicContact CG-CG 4.42Å; T164-E168 WeakPolarHBondContact O-CG 3.43Å; T164-E168 PolarHBondContact O-N 2.82Å; M165-E168 PolarHBondContact O-N 3.27Å; E168-R172 WeakPolarHBondContact O-CB 3.38Å; E168-R172 PolarHBondContact O-N 3.34Å; E168-R172 VanDerWaalsContact O-N 3.08Å
169I95.4Very high83.5Confident0 Ų053.2 Ų53.20%031%0.314CS..Hα-helixtrans-64.6-47.5174.4-67.5165.8000110.9F9 L11 H82 N115 M165 A166 A167 K171 R172 M173F9-I169 HydrophobicContact CB-CD1 4.46Å; F9-I169 HydrophobicContact CD1-CG2 3.74Å; F9-I169 HydrophobicContact CD2-CB 4.14Å; F9-I169 HydrophobicContact CD2-CD1 4.38Å; F9-I169 HydrophobicContact CD2-CG2 3.8Å; F9-I169 HydrophobicContact CE1-CG2 3.73Å; F9-I169 HydrophobicContact CE2-CB 4.06Å; F9-I169 HydrophobicContact CE2-CG2 3.76Å; F9-I169 HydrophobicContact CG-CG2 3.8Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.74Å; L11-I169 HydrophobicContact CD2-CD1 3.35Å; H82-I169 HydrophobicContact CB-CD1 4Å; H82-I169 HydrophobicContact CB-CG1 4.43Å; H82-I169 HydrophobicContact CB-CG2 3.98Å; N115-I169 HydrophobicContact CB-CG1 3.84Å; N115-I169 WeakPolarHBondContact OD1-CA 3.43Å; N115-I169 WeakPolarHBondContact OD1-CG1 3.43Å; M165-I169 HydrophobicContact CG-CD1 3.82Å; M165-I169 WeakPolarHBondContact O-CD1 3.47Å; M165-I169 VanDerWaalsContact O-CG1 3.23Å; M165-I169 WeakPolarHBondContact O-CG1 3.43Å; M165-I169 PolarHBondContact O-N 2.65Å; M165-I169 HydrophobicContact SD-CD1 3.83Å; M165-I169 HydrophobicContact SD-CG1 4.04Å; A166-I169 PolarHBondContact O-N 3.23Å; A167-I169 PolarHBondContact O-N 2.82Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.27Å; I169-R172 PolarHBondContact O-N 2.87Å; I169-M173 HydrophobicContact CG2-CE 3.41Å; I169-M173 VanDerWaalsContact CG2-CE 3.41Å; I169-M173 HydrophobicContact CG2-CG 4.4Å; I169-M173 WeakPolarHBondContact O-CB 3.26Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 2.94Å
170K93.9Very high81.1Confident29 Ų2953.4 Ų53.413%0.12634%0.338CS..Hα-helixtrans-60.1-44.8179.4-177.7-173.4175.5-171.70111.1F9 L52 D53 I57 A166 A167 R172 M173 G174F9-K170 HydrophobicContact CE2-CB 4.19Å; F9-K170 HydrophobicContact CZ-CB 4.09Å; L52-K170 HydrophobicContact CD2-CD 3.54Å; L52-K170 PolarHBondContact O-NZ 2.81Å; D53-K170 VanDerWaalsContact CB-NZ 3.3Å; D53-K170 IonicContact OD2-NZ 2.71Å; D53-K170 PolarHBondContact OD2-NZ 3.02Å; I57-K170 HydrophobicContact CD1-CD 4.27Å; A166-K170 VanDerWaalsContact O-CB 3.32Å; A166-K170 WeakPolarHBondContact O-CB 3.38Å; A166-K170 PolarHBondContact O-N 2.75Å; A167-K170 PolarHBondContact O-N 2.91Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.46Å; K170-M173 PolarHBondContact O-N 2.84Å; K170-G174 PolarHBondContact O-N 3.38Å; K170-G174 VanDerWaalsContact O-N 3.11Å
171K92.1Very high78.3Confident158 Ų15852.5 Ų52.569%0.68735%0.354SS*.Hα-helixtrans-58.6-43.9176.7-177.5-178.3175.6-172.80111.6A167 I169A167-K171 VanDerWaalsContact O-CB 3.31Å; A167-K171 WeakPolarHBondContact O-CB 3.26Å; A167-K171 PolarHBondContact O-N 3.07Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.27Å
172R90.4Very high75.4Confident95 Ų9555.6 Ų55.636%0.35839%0.387SS..Hα-helixtrans-64.4-40.9176.3-173.1-162.969.8-157.6-10.5112.4H82 N113 N115 E168 I169 K170 G174H82-R172 PolarHBondContact O-NH1 2.77Å; N113-R172 VanDerWaalsContact O-CD 3.3Å; N113-R172 WeakPolarHBondContact O-CD 3.49Å; N113-R172 PolarHBondContact O-NH1 3.25Å; N115-R172 WeakPolarHBondContact OD1-CD 3.5Å; N115-R172 PolarHBondContact OD1-NH1 3.24Å; E168-R172 WeakPolarHBondContact O-CB 3.38Å; E168-R172 PolarHBondContact O-N 3.34Å; E168-R172 VanDerWaalsContact O-N 3.08Å; I169-R172 PolarHBondContact O-N 2.87Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 3.46Å; R172-G174 VanDerWaalsContact C-N 3.3Å; R172-G174 PolarHBondContact O-N 2.8Å
173M84.4Confident72.7Confident44 Ų4464.4 Ų64.422%0.21743%0.428CS..Hα-helixtrans-71.9-23.1-177.4-76.1-148.9-145.900113.6F9 H82 I169 K170 A177F9-M173 HydrophobicContact CD1-CE 3.44Å; F9-M173 VanDerWaalsContact CD1-CE 3.44Å; F9-M173 HydrophobicContact CE1-CE 3.27Å; F9-M173 HydrophobicContact CE1-SD 3.85Å; F9-M173 HydrophobicContact CZ-CE 4.25Å; H82-M173 HydrophobicContact CB-CE 4.29Å; H82-M173 WeakPolarHBondContact CD2-CE 3.29Å; I169-M173 HydrophobicContact CG2-CE 3.41Å; I169-M173 VanDerWaalsContact CG2-CE 3.41Å; I169-M173 HydrophobicContact CG2-CG 4.4Å; I169-M173 WeakPolarHBondContact O-CB 3.26Å; I169-M173 WeakPolarHBondContact O-CG 3.5Å; I169-M173 PolarHBondContact O-N 2.94Å; K170-M173 PolarHBondContact O-N 2.84Å; M173-A177 HydrophobicContact CB-CB 3.87Å; M173-A177 HydrophobicContact CG-CB 4.44Å; M173-A177 VanDerWaalsContact O-CB 3.3Å; M173-A177 WeakPolarHBondContact O-CB 3.26Å; M173-A177 HydrophobicContact SD-CB 4.19Å
174G71.9Confident70Confident25 Ų2570.9 Ų70.926%0.25845%0.454SS..  trans65.5176.3178.900000114K170 R172 G176K170-G174 PolarHBondContact O-N 3.38Å; K170-G174 VanDerWaalsContact O-N 3.11Å; R172-G174 VanDerWaalsContact C-N 3.3Å; R172-G174 PolarHBondContact O-N 2.8Å; G174-G176 PolarHBondContact O-N 2.77Å; G174-G176 VanDerWaalsContact O-N 3.09Å
175P59.4Low67.3Low131 Ų13174.3 Ų74.385%0.85148%0.478SS*.THydrogen-bonded Turntrans-66.1-9.6-177.4-1931000115.1
176G52.1Low64.5Low77 Ų7780.7 Ų80.779%0.79451%0.512SS*.THydrogen-bonded Turntrans-99.5-4.9-172.200000115.8G174G174-G176 PolarHBondContact O-N 2.77Å; G174-G176 VanDerWaalsContact O-N 3.09Å
177A54.4Low62.1Low42 Ų4285.7 Ų85.735%0.34754%0.542SS..  trans-104.251.7-17700000111.8Y7 M173Y7-A177 VanDerWaalsContact CE1-O 3.27Å; Y7-A177 WeakPolarHBondContact CE1-O 3.44Å; M173-A177 HydrophobicContact CB-CB 3.87Å; M173-A177 HydrophobicContact CG-CB 4.44Å; M173-A177 VanDerWaalsContact O-CB 3.3Å; M173-A177 WeakPolarHBondContact O-CB 3.26Å; M173-A177 HydrophobicContact SD-CB 4.19Å
178T44.3Very low59.7Low70 Ų7092.3 Ų92.343%0.42956%0.564SS.*  trans-98.8129.117045.30000111.4Y7Y7-T178 HydrophobicContact CD1-CG2 4.29Å; Y7-T178 HydrophobicContact CE1-CG2 3.58Å; Y7-T178 HydrophobicContact CE2-CG2 4.05Å; Y7-T178 VanDerWaalsContact CZ-CG2 3.44Å; Y7-T178 WeakPolarHBondContact OH-CG2 3.36Å
179A46.6Very low57.4Low65 Ų6596.5 Ų96.554%0.53759%0.587SS.*SBendtrans69.2113155.700000120.5P3P3-A179 HydrophobicContact CG-CB 4.4Å
180G45Very low55.3Low85 Ų85102.2 Ų102.288%0.87662%0.623SS**  105.2-0.3129.700000119.3G182G180-G182 PolarHBondContact O-N 2.87Å
181G38.9Very low53Low75 Ų75106.7 Ų106.777%0.77365%0.654SS**  trans-9651.9-179.700000114E183G181-E183 VanDerWaalsContact C-N 3.34Å; G181-E183 PolarHBondContact O-N 2.76Å
182G38.7Very low50.7Low69 Ų69102.6 Ų102.671%0.71166%0.658SS**  trans-62.6104.7159.300000106.7G180 K184G180-G182 PolarHBondContact O-N 2.87Å; G182-K184 VanDerWaalsContact C-N 3.31Å; G182-K184 PolarHBondContact O-N 2.93Å
183E39.9Very low48.9Very low188 Ų188104.3 Ų104.388%0.87968%0.679SS**  trans-49.1104.1164.7-88.8-178.9129.500106.7G181 P185G181-E183 VanDerWaalsContact C-N 3.34Å; G181-E183 PolarHBondContact O-N 2.76Å; E183-P185 WeakPolarHBondContact O-CD 3.46Å; E183-P185 VanDerWaalsContact O-N 3.15Å
184K40.2Very low47.4Very low187 Ų187108.5 Ų108.581%0.81371%0.707SS**  trans-53.6122.4156.2-70.9-176.8177.9-179.50104G182 N186G182-K184 VanDerWaalsContact C-N 3.31Å; G182-K184 PolarHBondContact O-N 2.93Å; K184-N186 VanDerWaalsContact C-N 3.29Å; K184-N186 PolarHBondContact O-N 3.06Å
185P40.2Very low46.4Very low112 Ų112113.9 Ų113.973%0.72773%0.734SS**  trans-58.5107168.723.8-29.3000105.1E183 V187E183-P185 WeakPolarHBondContact O-CD 3.46Å; E183-P185 VanDerWaalsContact O-N 3.15Å; P185-V187 HydrophobicContact CB-CG2 4.43Å; P185-V187 PolarHBondContact O-N 3.36Å
186N40.2Very low46.2Very low137 Ų137116.4 Ų116.473%0.73373%0.732SS**  trans-74.574.6177.4-159.79.8000105.7K184 K188K184-N186 VanDerWaalsContact C-N 3.29Å; K184-N186 PolarHBondContact O-N 3.06Å; N186-K188 PolarHBondContact O-N 3.01Å
187V46Very low45.8Very low105 Ų105118.9 Ų118.964%0.63673%0.734SS**  trans-65.594.2166.3-1800000104.4P185 L189P185-V187 HydrophobicContact CB-CG2 4.43Å; P185-V187 PolarHBondContact O-N 3.36Å; V187-L189 PolarHBondContact O-N 2.66Å
188K44Very low45.3Very low177 Ų177122.4 Ų122.477%0.7776%0.756SS**  trans-60.795.2164.3-75.2-176.3178.1-179.50106.2N186 T190N186-K188 PolarHBondContact O-N 3.01Å; K188-T190 VanDerWaalsContact C-N 3.29Å; K188-T190 PolarHBondContact O-N 2.84Å
189L46.4Very low45.5Very low155 Ų155124.7 Ų124.781%0.81278%0.775SS**  trans-60.499.5162.5-72.5161.9000106V187V187-L189 PolarHBondContact O-N 2.66Å
190T52Low45.4Very low121 Ų121125.7 Ų125.774%0.74279%0.791SS**PPolyproline II helixtrans-53.512916233.10000107.4K188 G192K188-T190 VanDerWaalsContact C-N 3.29Å; K188-T190 PolarHBondContact O-N 2.84Å; T190-G192 PolarHBondContact O-N 3.15Å
191P46Very low45.2Very low122 Ų122125.4 Ų125.479%0.79279%0.788SS**PPolyproline II helixtrans-54.2116.7173.4-21.831.4000108.4T193P191-T193 PolarHBondContact O-N 3Å; P191-T193 VanDerWaalsContact O-N 3.15Å
192G43.8Very low45.3Very low73 Ų73127.9 Ų127.975%0.75379%0.793SS**PPolyproline II helixtrans-58.9119.3178.400000109.1T190 T194T190-G192 PolarHBondContact O-N 3.15Å; G192-T194 PolarHBondContact O-N 3.07Å
193T52.9Low45.4Very low131 Ų131134.5 Ų134.580%0.80483%0.826SS**PPolyproline II helixtrans-63.2121.3171.5-28.60000107.7P191 V195P191-T193 PolarHBondContact O-N 3Å; P191-T193 VanDerWaalsContact O-N 3.15Å; T193-V195 PolarHBondContact O-N 3.24Å
194T51.8Low45.7Very low131 Ų131131.9 Ų131.980%0.80482%0.823SS**  trans-58.9114.5175.7-26.70000108.6G192 K196G192-T194 PolarHBondContact O-N 3.07Å; T194-K196 PolarHBondContact O-N 3.03Å
195V52.4Low45.9Very low138 Ų138128.9 Ų128.984%0.83682%0.824SS**  trans-67.1106.4174.8-168.60000106.9T193T193-V195 PolarHBondContact O-N 3.24Å
196K53.5Low46.3Very low185 Ų185129.9 Ų129.980%0.80483%0.829SS**  trans-66.5133.6170.5-77.6-175.7177.2179.80108.1T194 S198T194-K196 PolarHBondContact O-N 3.03Å; K196-S198 PolarHBondContact O-N 3.05Å
197P45Very low46.6Very low128 Ų128129.5 Ų129.583%0.83184%0.835SS**  trans-68.2108.1172.426.1-28.5000108.2S199P197-S199 PolarHBondContact O-N 3.49Å
198S43.5Very low46.7Very low116 Ų116131 Ų13181%0.81185%0.847SS**  trans-79.8109.8167.957.90000108.6K196 G200K196-S198 PolarHBondContact O-N 3.05Å; S198-G200 PolarHBondContact O-N 3.39Å
199S48.8Very low46.8Very low119 Ų119127.9 Ų127.983%0.83285%0.852SS**  trans-62.5122.916650.30000111.3P197P197-S199 PolarHBondContact O-N 3.49Å
200G43.7Very low46.9Very low85 Ų85126 Ų12688%0.87686%0.855SS**  trans80.3131.4142.700000118.8S198S198-G200 PolarHBondContact O-N 3.39Å
201G40.9Very low46.5Very low79 Ų79126.4 Ų126.481%0.81486%0.864SS**  trans146.397.7153.300000114.5
202C42.2Very low46.5Very low128 Ų128126.8 Ų126.887%0.86587%0.87SS**  trans-57.2143.2161.5-73.20000111.7
203C39.6Very low46.7Very low208 Ų208131.6 Ų131.6100%1.40588%0.88SS**  178.10120.4-90.30000108.4

Retrieved 203 of 203 residues in 311.6 ms (Link to these results)

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