A0A087YH65_POEFO Loading...

Methylated-DNA--protein-cysteine methyltransferase

Involved in the cellular defense against the biological effects of O6-methylguanine (O6-MeG) and O4-methylthymine (O4-MeT) in DNA. Repairs the methylated nucleobase in DNA by stoichiometrically transferring the methyl group to a cysteine residue in the enzyme. This is a suicide reaction: the enzyme is irreversibly inactivated.

AlphaFold DB , UniProt , Accession A0A087YH65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 197 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
1M37.9Very low35.9Very low234 Ų234155.5 Ų155.5100%1.15384%0.843SS**  01180-136.39591.700108.3
2K36.7Very low36Very low185 Ų185159.5 Ų159.580%0.80485%0.846SS**  trans46.1112.9150.8-65.2-178.7-179.5-179.80119.7
3K33.9Very low36.4Very low205 Ų205160.4 Ų160.489%0.89184%0.843SS**  73.6141.796.4-76.2-168.3-179.6-170.30113.1
4A34.5Very low36.7Very low91 Ų91162.9 Ų162.975%0.75285%0.848SS**  cis-168.6162.5-0.100000109.7
5S39.2Very low37.8Very low108 Ų108163.7 Ų163.776%0.75585%0.846SS**  trans-14.6139154.6-174.60000118.2
6V35.6Very low39.2Very low147 Ų147158.4 Ų158.489%0.89183%0.827SS**  -139.7110.6126.3177.20000108
7G36.3Very low41.4Very low58 Ų58162.4 Ų162.460%0.59883%0.829SS**  trans-72.8149.3163.800000111.2
8S32.3Very low44.1Very low111 Ų111156.3 Ų156.378%0.77680%0.803SS**  trans-127.790.5156.865.10000107.7M10S8-M10 PolarHBondContact O-N 3.26Å
9E38.7Very low46.6Very low190 Ų190152.8 Ų152.889%0.88879%0.79SS**  trans-54.1114.4158.8-70.4161.4108.100109
10M37Very low49Very low179 Ų179150.7 Ų150.788%0.88278%0.775SS**  trans-115.796.9155-75.6-178.677.400106.8S8 K12S8-M10 PolarHBondContact O-N 3.26Å; M10-K12 PolarHBondContact O-N 3.02Å
11K32.8Very low51.2Low202 Ų202147 Ų14788%0.87875%0.754SS**  trans-25.1102.2169.3-76.9169.8168.6178.30112.1Q13K11-Q13 PolarHBondContact O-N 3.17Å; K11-Q13 VanDerWaalsContact O-N 3.12Å
12K36.6Very low54Low204 Ų204139.1 Ų139.189%0.88772%0.719SS**  trans-67.1105.8159.1-160.8175-173.9-176.80105.2M10 E14M10-K12 PolarHBondContact O-N 3.02Å; K12-E14 PolarHBondContact O-N 3.12Å; K12-E14 VanDerWaalsContact O-N 3.17Å
13Q41.7Very low57Low171 Ų171130.3 Ų130.380%0.79968%0.681SS**  trans-48.7121.4178.4-73.4171.4-5200108.8K11 E15K11-Q13 PolarHBondContact O-N 3.17Å; K11-Q13 VanDerWaalsContact O-N 3.12Å; Q13-E15 PolarHBondContact O-N 2.96Å
14E40.6Very low60Low195 Ų195121.2 Ų121.291%0.91164%0.643SS**  trans-61.292.7159.7-89.5165.4130.900107K12 S16K12-E14 PolarHBondContact O-N 3.12Å; K12-E14 VanDerWaalsContact O-N 3.17Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 2.9Å
15E52.8Low62.9Low176 Ų176116.9 Ų116.982%0.82261%0.607SS**  trans-60.199.6158.3-74173.8164.700106.3Q13 R17Q13-E15 PolarHBondContact O-N 2.96Å; E15-R17 PolarHBondContact O-N 2.89Å; E15-R17 VanDerWaalsContact O-N 3.15Å
16S60.8Low65.5Low78 Ų78115.2 Ų115.255%0.54559%0.589SS.*  trans-48.6123.2165.652.60000107.6E14 C18E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 2.9Å; S16-C18 PolarHBondContact O-N 3.15Å
17R76.5Confident68.2Low227 Ų227108.7 Ų108.786%0.85755%0.55SS**  trans-55.1107.9179.6-84.4179.3169144.4-3.9109.6E15 T19E15-R17 PolarHBondContact O-N 2.89Å; E15-R17 VanDerWaalsContact O-N 3.15Å; R17-T19 PolarHBondContact O-N 3.04Å; R17-T19 PolarHBondContact O-OG1 2.92Å
18C89.3Confident70.7Confident53 Ų53106.5 Ų106.536%0.35853%0.525SS..  trans-59.1101.7174.1172.80000109.5S16 H42S16-C18 PolarHBondContact O-N 3.15Å; C18-H42 PolarHBondContact SG-CE1 3.11Å; C18-H42 PolarHBondContact SG-NE2 2.9Å
19T92.1Very high73.4Confident90 Ų90101.2 Ų101.255%0.55249%0.488SS*.  trans-99.995.5-176.5-56.30000109.1R17R17-T19 PolarHBondContact O-N 3.04Å; R17-T19 PolarHBondContact O-OG1 2.92Å
20Q94Very high75.8Confident109 Ų10992.1 Ų92.151%0.50945%0.446SS..  trans-73.4139.9-176.8-68.9179.1-10.600112G36 H42Q20-G36 CarbonylContact C-O 3.53Å; Q20-G36 VanDerWaalsContact CA-O 3.3Å; Q20-G36 WeakPolarHBondContact CA-O 3.23Å; Q20-H42 PolarHBondContact NE2-CE1 3.12Å; Q20-H42 VanDerWaalsContact NE2-CE1 3.29Å; Q20-H42 VanDerWaalsContact NE2-CG 3.3Å; Q20-H42 PolarHBondContact NE2-ND1 3.34Å
21K96.1Very high78.5Confident75 Ų7584.7 Ų84.733%0.32641%0.411SS..EExtended strand (participates in β ladder)trans-121.7159.4170.3-65.4177.3178.2176.40109S35 G36 P69 E71 M76K21-S35 CarbonylContact O-C 3.56Å; K21-S35 VanDerWaalsContact O-CA 3.26Å; K21-S35 WeakPolarHBondContact O-CA 3.34Å; K21-G36 PolarHBondContact N-O 3.02Å; K21-G36 PolarHBondContact O-N 3.49Å; K21-P69 HydrophobicContact CB-CG 4.15Å; K21-P69 HydrophobicContact CD-CB 4.36Å; K21-P69 HydrophobicContact CD-CG 4.09Å; K21-E71 VanDerWaalsContact CD-O 3.28Å; K21-E71 WeakPolarHBondContact CD-O 3.25Å; K21-E71 PolarHBondContact NZ-O 3.35Å; K21-M76 HydrophobicContact CB-CE 4.19Å; K21-M76 HydrophobicContact CB-SD 4.17Å; K21-M76 VanDerWaalsContact O-CE 3.23Å; K21-M76 WeakPolarHBondContact O-CE 3.48Å
22T97.5Very high81.5Confident67 Ų6775.1 Ų75.141%0.41137%0.369SS..EExtended strand (participates in β ladder)trans-127.9134.9-179.7-58.10000110.7Q33 V34 P69T22-Q33 HydrophobicContact CG2-CB 4.14Å; T22-V34 CarbonylContact C-O 3.55Å; T22-V34 VanDerWaalsContact CA-O 3.29Å; T22-V34 WeakPolarHBondContact CA-O 3.37Å; T22-P69 WeakPolarHBondContact O-CD 3.46Å
23I97.8Very high84.4Confident1 Ų168.2 Ų68.21%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-113.4138170.2-60.8166.8000107.7L25 Q33 V34 V65 D67 T72 M76 V80I23-L25 HydrophobicContact CG2-CD1 4.18Å; I23-Q33 WeakPolarHBondContact O-CA 3.28Å; I23-V34 PolarHBondContact N-O 2.71Å; I23-V34 PolarHBondContact O-N 2.66Å; I23-V65 HydrophobicContact CG2-CG1 3.89Å; I23-V65 HydrophobicContact CG2-CG2 4.41Å; I23-D67 WeakPolarHBondContact CA-O 3.35Å; I23-T72 HydrophobicContact CD1-CG2 3.48Å; I23-T72 VanDerWaalsContact CD1-CG2 3.48Å; I23-T72 HydrophobicContact CG1-CG2 3.85Å; I23-M76 HydrophobicContact CD1-CB 3.9Å; I23-M76 HydrophobicContact CD1-CE 3.77Å; I23-M76 HydrophobicContact CG1-CE 3.73Å; I23-V80 HydrophobicContact CD1-CG2 3.91Å; I23-V80 HydrophobicContact CG2-CG2 4.06Å
24S97.1Very high87.1Confident14 Ų1460 Ų6010%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-108.9136.5174.1-57.30000110.7I32 T66 D67S24-I32 CarbonylContact C-O 3.58Å; S24-I32 WeakPolarHBondContact CA-O 3.44Å; S24-T66 PolarHBondContact O-N 3.45Å; S24-T66 PolarHBondContact O-OG1 3.38Å; S24-D67 PolarHBondContact N-O 2.68Å; S24-D67 PolarHBondContact O-N 2.9Å
25L95.7Very high89.8Confident0 Ų051.3 Ų51.30%026%0.262CS..EExtended strand (participates in β ladder)trans-125.5135.3175.4-53.790.4000109.9I23 T31 I32 V34 V64 V65 V80 L83I23-L25 HydrophobicContact CG2-CD1 4.18Å; L25-T31 CarbonylContact O-C 3.53Å; L25-T31 WeakPolarHBondContact O-CA 3.43Å; L25-I32 PolarHBondContact N-O 3.21Å; L25-I32 PolarHBondContact O-N 2.94Å; L25-V34 HydrophobicContact CD1-CG2 3.79Å; L25-V64 CarbonylContact C-O 3.48Å; L25-V64 WeakPolarHBondContact CA-O 3.3Å; L25-V65 HydrophobicContact CD2-CG2 4.23Å; L25-V65 HydrophobicContact CG-CG2 4.29Å; L25-V80 HydrophobicContact CD1-CG2 4.43Å; L25-V80 HydrophobicContact CD2-CG1 4.05Å; L25-V80 HydrophobicContact CD2-CG2 4.34Å; L25-L83 HydrophobicContact CD1-CD1 4.36Å
26L93.4Very high92Very high72 Ų7242.9 Ų42.938%0.37722%0.223SC..EExtended strand (participates in β ladder)trans-81.2130.1163.5-176.164.6000108.4C63 V64 T66L26-C63 VanDerWaalsContact O-CA 3.27Å; L26-C63 WeakPolarHBondContact O-CA 3.46Å; L26-V64 HydrophobicContact CB-CG2 3.99Å; L26-V64 PolarHBondContact N-O 3.37Å; L26-V64 PolarHBondContact O-N 2.68Å; L26-T66 HydrophobicContact CB-CG2 3.79Å
27S92.1Very high93.6Very high11 Ų1139.3 Ų39.38%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-138.2172.7-176.683.20000111.9L29 G30 I32S27-L29 PolarHBondContact O-N 2.79Å; S27-L29 VanDerWaalsContact O-N 3.09Å; S27-L29 PolarHBondContact OG-N 3.34Å; S27-L29 VanDerWaalsContact OG-N 3.09Å; S27-G30 WeakPolarHBondContact CB-O 3.5Å; S27-G30 PolarHBondContact N-O 2.9Å; S27-G30 PolarHBondContact O-N 3.15Å; S27-G30 PolarHBondContact OG-O 3.38Å; S27-I32 VanDerWaalsContact OG-CD1 3.3Å; S27-I32 WeakPolarHBondContact OG-CD1 3.22Å; S27-I32 WeakPolarHBondContact OG-CG1 3.41Å
28P88.9Confident94.5Very high11 Ų1133.1 Ų33.17%0.07118%0.178CC..THydrogen-bonded Turntrans-61.1-15.3172.6-24.137.1000114.5P52 A53 L61 S62 F87 W186P28-P52 VanDerWaalsContact O-CA 3.26Å; P28-P52 WeakPolarHBondContact O-CA 3.43Å; P28-A53 PolarHBondContact O-N 3.33Å; P28-L61 HydrophobicContact CB-CD2 4.05Å; P28-L61 HydrophobicContact CG-CB 4.12Å; P28-L61 HydrophobicContact CG-CD2 3.77Å; P28-L61 HydrophobicContact CG-CG 4.36Å; P28-S62 WeakPolarHBondContact CD-O 3.32Å; P28-F87 HydrophobicContact CB-CD1 4.4Å; P28-F87 HydrophobicContact CG-CB 4.23Å; P28-F87 HydrophobicContact CG-CD1 3.78Å; P28-F87 HydrophobicContact CG-CE1 4.35Å; P28-F87 HydrophobicContact CG-CG 4.05Å; P28-W186 HydrophobicContact CB-CH2 3.63Å; P28-W186 HydrophobicContact CB-CZ2 3.58Å; P28-W186 HydrophobicContact CB-CZ3 4.46Å; P28-W186 HydrophobicContact CG-CH2 4.14Å; P28-W186 HydrophobicContact CG-CZ2 4.37Å
29L89.1Confident94.8Very high0 Ų034 Ų340%018%0.18CC..THydrogen-bonded Turntrans-98.19.1177.9-52.3179000113.2S27 I46 F87 L158 L183 W186 L187S27-L29 PolarHBondContact O-N 2.79Å; S27-L29 VanDerWaalsContact O-N 3.09Å; S27-L29 PolarHBondContact OG-N 3.34Å; S27-L29 VanDerWaalsContact OG-N 3.09Å; L29-I46 HydrophobicContact CB-CG2 3.89Å; L29-I46 HydrophobicContact CD1-CD1 3.93Å; L29-I46 WeakPolarHBondContact O-CG2 3.49Å; L29-F87 HydrophobicContact CD1-CE1 4.07Å; L29-F87 HydrophobicContact CD1-CZ 3.76Å; L29-F87 HydrophobicContact CG-CE1 3.97Å; L29-F87 HydrophobicContact CG-CZ 3.97Å; L29-L158 HydrophobicContact CD1-CD1 4.13Å; L29-L158 HydrophobicContact CD1-CD2 4.09Å; L29-L183 HydrophobicContact CB-CD2 4.16Å; L29-L183 HydrophobicContact CD2-CD2 4.39Å; L29-L183 HydrophobicContact CD2-CG 4.38Å; L29-W186 HydrophobicContact CD2-CD2 4.11Å; L29-W186 HydrophobicContact CD2-CE3 3.49Å; L29-W186 VanDerWaalsContact CD2-CE3 3.49Å; L29-W186 HydrophobicContact CD2-CZ3 3.85Å; L29-L187 HydrophobicContact CD1-CD1 4.35Å; L29-L187 HydrophobicContact CD1-CD2 3.95Å; L29-L187 HydrophobicContact CD1-CG 4.39Å; L29-L187 HydrophobicContact CD2-CD2 4.3Å; L29-L187 HydrophobicContact CD2-CG 4.31Å
30G89.5Confident95Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans89.6-160.5-16600000112.3S27 I32 D49S27-G30 WeakPolarHBondContact CB-O 3.5Å; S27-G30 PolarHBondContact N-O 2.9Å; S27-G30 PolarHBondContact O-N 3.15Å; S27-G30 PolarHBondContact OG-O 3.38Å; G30-I32 PolarHBondContact O-N 3.15Å; G30-D49 WeakPolarHBondContact CA-OD1 3.24Å
31T93.7Very high95.2Very high23 Ų2324.5 Ų24.514%0.14113%0.129CC..EExtended strand (participates in β ladder)trans-70.1126.9-179.8-60.30000110.7L25 Q33 L47 D49L25-T31 CarbonylContact O-C 3.53Å; L25-T31 WeakPolarHBondContact O-CA 3.43Å; T31-Q33 HydrophobicContact CG2-CG 4.3Å; T31-L47 HydrophobicContact CG2-CD1 3.99Å; T31-L47 HydrophobicContact CG2-CG 4.49Å; T31-L47 PolarHBondContact O-N 3.19Å; T31-D49 WeakPolarHBondContact CB-OD2 3.45Å; T31-D49 PolarHBondContact N-OD1 2.73Å; T31-D49 PolarHBondContact OG1-OD1 3.5Å; T31-D49 PolarHBondContact OG1-OD2 3.37Å
32I96.3Very high95.3Very high0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-106.6127.4171-63.1179.1000108.4S24 L25 S27 G30 V34 I44 Q45 I46 L83 F87 L158S24-I32 CarbonylContact C-O 3.58Å; S24-I32 WeakPolarHBondContact CA-O 3.44Å; L25-I32 PolarHBondContact N-O 3.21Å; L25-I32 PolarHBondContact O-N 2.94Å; S27-I32 VanDerWaalsContact OG-CD1 3.3Å; S27-I32 WeakPolarHBondContact OG-CD1 3.22Å; S27-I32 WeakPolarHBondContact OG-CG1 3.41Å; G30-I32 PolarHBondContact O-N 3.15Å; I32-V34 HydrophobicContact CG2-CG2 4.31Å; I32-I44 HydrophobicContact CG2-CG2 3.65Å; I32-Q45 CarbonylContact C-O 3.49Å; I32-Q45 VanDerWaalsContact CA-O 3.31Å; I32-Q45 WeakPolarHBondContact CA-O 3.34Å; I32-I46 HydrophobicContact CG1-CG1 4.33Å; I32-L83 HydrophobicContact CG2-CD1 4.13Å; I32-F87 HydrophobicContact CD1-CE2 3.78Å; I32-F87 HydrophobicContact CD1-CZ 3.99Å; I32-L158 HydrophobicContact CD1-CD1 3.95Å
33Q97.8Very high95.3Very high59 Ų5919.6 Ų19.628%0.27611%0.105SC..EExtended strand (participates in β ladder)trans-108.9123.7172.5-66.5-171.8-41.800110.4T22 I23 T31 I44 Q45 L47T22-Q33 HydrophobicContact CG2-CB 4.14Å; I23-Q33 WeakPolarHBondContact O-CA 3.28Å; T31-Q33 HydrophobicContact CG2-CG 4.3Å; Q33-I44 CarbonylContact O-C 3.13Å; Q33-I44 WeakPolarHBondContact O-CA 3.38Å; Q33-Q45 HydrophobicContact CB-CB 4.44Å; Q33-Q45 PolarHBondContact N-O 3.08Å; Q33-Q45 PolarHBondContact O-N 3.37Å; Q33-L47 HydrophobicContact CG-CD1 4.22Å
34V98.3Very high95.4Very high0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-105.2117.3175.4-1780000108.1T22 I23 L25 I32 V41 T43 I44 C79 L83T22-V34 CarbonylContact C-O 3.55Å; T22-V34 VanDerWaalsContact CA-O 3.29Å; T22-V34 WeakPolarHBondContact CA-O 3.37Å; I23-V34 PolarHBondContact N-O 2.71Å; I23-V34 PolarHBondContact O-N 2.66Å; L25-V34 HydrophobicContact CD1-CG2 3.79Å; I32-V34 HydrophobicContact CG2-CG2 4.31Å; V34-V41 HydrophobicContact CG1-CG1 4.08Å; V34-V41 HydrophobicContact CG1-CG2 4.42Å; V34-T43 WeakPolarHBondContact CA-O 3.26Å; V34-I44 HydrophobicContact CG2-CG1 4.42Å; V34-C79 HydrophobicContact CG1-CB 4.15Å; V34-L83 HydrophobicContact CG2-CD1 3.59Å
35S98Very high95.3Very high11 Ų1123.9 Ų23.98%0.07712%0.123CC..EExtended strand (participates in β ladder)trans-103.3141.4171.579.90000110.6K21 H42 T43K21-S35 CarbonylContact O-C 3.56Å; K21-S35 VanDerWaalsContact O-CA 3.26Å; K21-S35 WeakPolarHBondContact O-CA 3.34Å; S35-H42 PolarHBondContact O-N 3.08Å; S35-T43 PolarHBondContact N-O 2.95Å; S35-T43 PolarHBondContact O-N 2.87Å; S35-T43 PolarHBondContact OG-N 3.45Å; S35-T43 PolarHBondContact OG-OG1 3.12Å
36G97.4Very high95.3Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-163.7167.4-174.600000113.3Q20 K21 G40Q20-G36 CarbonylContact C-O 3.53Å; Q20-G36 VanDerWaalsContact CA-O 3.3Å; Q20-G36 WeakPolarHBondContact CA-O 3.23Å; K21-G36 PolarHBondContact N-O 3.02Å; K21-G36 PolarHBondContact O-N 3.49Å; G36-G40 WeakPolarHBondContact CA-O 3.25Å
37C95.8Very high95.1Very high3 Ų324.5 Ų24.52%0.0213%0.126CC..EExtended strand (participates in β ladder)trans-132.4-168.9168.3700000109.9N39 G40 H42 S73 H102C37-N39 PolarHBondContact O-N 3.36Å; C37-N39 PolarHBondContact SG-N 3.45Å; C37-N39 VanDerWaalsContact SG-N 3.38Å; C37-G40 PolarHBondContact N-O 3Å; C37-G40 PolarHBondContact O-N 3.05Å; C37-H42 PolarHBondContact SG-NE2 3.13Å; C37-S73 WeakPolarHBondContact O-CB 3.43Å; C37-S73 PolarHBondContact O-OG 2.97Å; C37-H102 PolarHBondContact SG-ND1 3.39Å; C37-H102 VanDerWaalsContact SG-ND1 3.37Å
38E94.6Very high94.5Very high96 Ų9626.5 Ų26.545%0.44914%0.135SC..THydrogen-bonded Turntrans-60.8-27.6174.968.8-75.917800113.6
39N95.5Very high94.1Very high72 Ų7230.4 Ų30.439%0.38516%0.155SC..THydrogen-bonded Turntrans-87-11.4-178-60-57.4000113.7C37 H102C37-N39 PolarHBondContact O-N 3.36Å; C37-N39 PolarHBondContact SG-N 3.45Å; C37-N39 VanDerWaalsContact SG-N 3.38Å; N39-H102 HydrophobicContact CB-CB 4.17Å
40G96.8Very high93.1Very high0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans148.2177.4179.800000115.3G36 C37 H42 A100G36-G40 WeakPolarHBondContact CA-O 3.25Å; C37-G40 PolarHBondContact N-O 3Å; C37-G40 PolarHBondContact O-N 3.05Å; G40-H42 PolarHBondContact O-CD2 3.22Å; G40-A100 CarbonylContact C-O 3.54Å; G40-A100 WeakPolarHBondContact CA-O 3.31Å
41V98.2Very high91.8Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-75.5132.1173.8174.60000109.2V34 I44 C79 P99 A100 H102 V156V34-V41 HydrophobicContact CG1-CG1 4.08Å; V34-V41 HydrophobicContact CG1-CG2 4.42Å; V41-I44 HydrophobicContact CG1-CG1 4.47Å; V41-C79 HydrophobicContact CG2-CB 3.63Å; V41-P99 HydrophobicContact CG2-CB 3.89Å; V41-P99 HydrophobicContact CG2-CG 4.01Å; V41-A100 PolarHBondContact N-O 3.33Å; V41-H102 PolarHBondContact O-N 2.97Å; V41-V156 HydrophobicContact CG1-CG1 3.91Å
42H97.9Very high90.2Very high12 Ų1236.7 Ų36.76%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-94.5-54.1178.3-78.7-106.9000111.3C18 Q20 S35 C37 G40 H102 H103C18-H42 PolarHBondContact SG-CE1 3.11Å; C18-H42 PolarHBondContact SG-NE2 2.9Å; Q20-H42 PolarHBondContact NE2-CE1 3.12Å; Q20-H42 VanDerWaalsContact NE2-CE1 3.29Å; Q20-H42 VanDerWaalsContact NE2-CG 3.3Å; Q20-H42 PolarHBondContact NE2-ND1 3.34Å; S35-H42 PolarHBondContact O-N 3.08Å; C37-H42 PolarHBondContact SG-NE2 3.13Å; G40-H42 PolarHBondContact O-CD2 3.22Å; H42-H102 AromaticContact CE1-CE1 3.98Å; H42-H102 AromaticContact CE1-CG 3.94Å; H42-H102 AromaticContact CE1-ND1 3.15Å; H42-H102 PolarHBondContact CE1-ND1 2.97Å; H42-H102 PolarHBondContact CE1-O 2.91Å; H42-H102 VanDerWaalsContact CG-O 3.27Å; H42-H102 PolarHBondContact ND1-O 3.45Å; H42-H102 AromaticContact NE2-CG 3.7Å; H42-H102 AromaticContact NE2-ND1 2.94Å; H42-H102 PolarHBondContact NE2-ND1 2.9Å; H42-H102 PolarHBondContact NE2-O 3.48Å; H42-H103 WeakPolarHBondContact O-CB 3.27Å; H42-H103 PolarHBondContact O-CD2 2.97Å
43T98.3Very high88.2Confident27 Ų2738 Ų3817%0.16621%0.212CC..EExtended strand (participates in β ladder)trans-143.2149.9-176.869.40000113.1V34 S35 P155V34-T43 WeakPolarHBondContact CA-O 3.26Å; S35-T43 PolarHBondContact N-O 2.95Å; S35-T43 PolarHBondContact O-N 2.87Å; S35-T43 PolarHBondContact OG-N 3.45Å; S35-T43 PolarHBondContact OG-OG1 3.12Å; T43-P155 CarbonylContact C-O 3.58Å; T43-P155 WeakPolarHBondContact CA-O 3.3Å; T43-P155 HydrophobicContact CG2-CB 4.4Å
44I98.3Very high85.7Confident6 Ų644.7 Ų44.73%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-116122.6161.9-61.5175000107.3I32 Q33 V34 V41 P155 V156 P157 L159I32-I44 HydrophobicContact CG2-CG2 3.65Å; Q33-I44 CarbonylContact O-C 3.13Å; Q33-I44 WeakPolarHBondContact O-CA 3.38Å; V34-I44 HydrophobicContact CG2-CG1 4.42Å; V41-I44 HydrophobicContact CG1-CG1 4.47Å; I44-P155 PolarHBondContact N-O 3.43Å; I44-V156 HydrophobicContact CD1-CB 4.19Å; I44-V156 HydrophobicContact CG1-CB 4.29Å; I44-V156 HydrophobicContact CG1-CG1 4.27Å; I44-P157 HydrophobicContact CB-CG 4.19Å; I44-P157 WeakPolarHBondContact CD1-O 3.38Å; I44-P157 HydrophobicContact CG2-CG 4.22Å; I44-P157 VanDerWaalsContact O-CD 3.22Å; I44-P157 WeakPolarHBondContact O-CD 3.48Å; I44-P157 VanDerWaalsContact O-CG 3.31Å; I44-P157 WeakPolarHBondContact O-CG 3.37Å; I44-L159 HydrophobicContact CD1-CB 4.39Å; I44-L159 HydrophobicContact CD1-CD1 3.65Å; I44-L159 HydrophobicContact CD1-CG 3.87Å
45Q96.4Very high83.4Confident98 Ų9854 Ų5446%0.45828%0.278SS..EExtended strand (participates in β ladder)trans-115.9127.8176.8-62.3-175.57.800109.7I32 Q33 L47I32-Q45 CarbonylContact C-O 3.49Å; I32-Q45 VanDerWaalsContact CA-O 3.31Å; I32-Q45 WeakPolarHBondContact CA-O 3.34Å; Q33-Q45 HydrophobicContact CB-CB 4.44Å; Q33-Q45 PolarHBondContact N-O 3.08Å; Q33-Q45 PolarHBondContact O-N 3.37Å; Q45-L47 HydrophobicContact CB-CD2 4.43Å
46I94Very high81Confident9 Ų957.2 Ų57.25%0.04630%0.301CS..EExtended strand (participates in β ladder)trans-100.8113.2173.4-54.2167.6000106.5L29 I32 M48 L158 M176 L183L29-I46 HydrophobicContact CB-CG2 3.89Å; L29-I46 HydrophobicContact CD1-CD1 3.93Å; L29-I46 WeakPolarHBondContact O-CG2 3.49Å; I32-I46 HydrophobicContact CG1-CG1 4.33Å; I46-M48 VanDerWaalsContact C-N 3.34Å; I46-M48 HydrophobicContact CG2-CG 4.11Å; I46-L158 HydrophobicContact CD1-CD1 4.39Å; I46-L158 HydrophobicContact CD1-CG 4.4Å; I46-M176 HydrophobicContact CB-CE 4.43Å; I46-L183 HydrophobicContact CG2-CD2 3.74Å
47L90.3Very high78.9Confident76 Ų7663.8 Ų63.840%0.39834%0.337SS..  trans-78.7-18-172.2-60.9-171000113.4T31 Q33 Q45 D49T31-L47 HydrophobicContact CG2-CD1 3.99Å; T31-L47 HydrophobicContact CG2-CG 4.49Å; T31-L47 PolarHBondContact O-N 3.19Å; Q33-L47 HydrophobicContact CG-CD1 4.22Å; Q45-L47 HydrophobicContact CB-CD2 4.43Å; L47-D49 PolarHBondContact O-N 2.89Å; L47-D49 VanDerWaalsContact O-N 3.15Å
48M80.4Confident76.8Confident53 Ų5371.9 Ų71.926%0.26137%0.374SS..  trans53.231.8-179.8-54.4177.3-69.100112.5I46 M176 R179 L183I46-M48 VanDerWaalsContact C-N 3.34Å; I46-M48 HydrophobicContact CG2-CG 4.11Å; M48-M176 HydrophobicContact CE-CE 3.78Å; M48-M176 HydrophobicContact CE-SD 4.36Å; M48-M176 HydrophobicContact SD-CE 4.06Å; M48-M176 HydrophobicContact SD-SD 3.93Å; M48-R179 HydrophobicContact CE-CB 4.45Å; M48-L183 HydrophobicContact CG-CD1 4.02Å; M48-L183 HydrophobicContact CG-CD2 3.79Å; M48-L183 HydrophobicContact SD-CD1 3.86Å; M48-L183 HydrophobicContact SD-CD2 4.17Å
49D79Confident74.8Confident93 Ų9369.7 Ų69.750%0.49737%0.372SS..  trans-75.8-15.3177.357.9-18.5000112.7G30 T31 L47G30-D49 WeakPolarHBondContact CA-OD1 3.24Å; T31-D49 WeakPolarHBondContact CB-OD2 3.45Å; T31-D49 PolarHBondContact N-OD1 2.73Å; T31-D49 PolarHBondContact OG1-OD1 3.5Å; T31-D49 PolarHBondContact OG1-OD2 3.37Å; L47-D49 PolarHBondContact O-N 2.89Å; L47-D49 VanDerWaalsContact O-N 3.15Å
50V68.6Low73.3Confident68 Ų6872 Ų7241%0.41239%0.391SS..SBendtrans-123.1132.1169.7-167.10000106.9
51A62Low72.5Confident73 Ų7374 Ų7460%0.60340%0.401SS*.  trans-55.8135.3168.100000108.3A53A51-A53 PolarHBondContact O-N 3.28Å
52P59.9Low71.9Confident14 Ų1477.1 Ų77.19%0.09142%0.424CS..SBendtrans-51.1123.2176.3-27.737.2000108P28 E54 H182 L183 W186P28-P52 VanDerWaalsContact O-CA 3.26Å; P28-P52 WeakPolarHBondContact O-CA 3.43Å; P52-E54 PolarHBondContact O-N 2.82Å; P52-H182 WeakPolarHBondContact CD-CD2 3.48Å; P52-H182 WeakPolarHBondContact CD-NE2 3.45Å; P52-H182 VanDerWaalsContact CG-CD2 3.49Å; P52-H182 WeakPolarHBondContact CG-CD2 3.25Å; P52-L183 HydrophobicContact CG-CD1 3.73Å; P52-L183 HydrophobicContact CG-CG 3.67Å; P52-W186 HydrophobicContact CB-CG 4.3Å
53A54Low71.5Confident28 Ų2876.8 Ų76.823%0.23142%0.422CS..  trans-44.2117.6-162.300000111.2P28 A51 R55P28-A53 PolarHBondContact O-N 3.33Å; A51-A53 PolarHBondContact O-N 3.28Å; A53-R55 HydrophobicContact CB-CB 3.93Å; A53-R55 HydrophobicContact CB-CG 3.78Å; A53-R55 PolarHBondContact O-N 3.29Å
54E45.8Very low71.2Confident199 Ų19978.6 Ų78.693%0.9343%0.434SS*.  trans-66.823.8163-68.2-169.4161.300111.3P52 S56P52-E54 PolarHBondContact O-N 2.82Å; E54-S56 PolarHBondContact O-N 3.3Å
55R51.2Low71.1Confident195 Ų19581.4 Ų81.474%0.73645%0.451SS*.  trans-78.2123.3-173.7-70.3177.1-155.9-153.65.8107.5A53A53-R55 HydrophobicContact CB-CB 3.93Å; A53-R55 HydrophobicContact CB-CG 3.78Å; A53-R55 PolarHBondContact O-N 3.29Å
56S47.3Very low71Confident80 Ų8080.8 Ų80.856%0.55945%0.454SS*.  trans-37.5146.816747.90000110.9E54 E58 A59E54-S56 PolarHBondContact O-N 3.3Å; S56-E58 PolarHBondContact O-N 2.87Å; S56-A59 PolarHBondContact O-N 2.81Å
57N52.7Low70.8Confident138 Ų13885.3 Ų85.374%0.73848%0.478SS*.THydrogen-bonded Turntrans-52.99.5-178.6-121.420.4000116.1
58E50.9Low70.7Confident172 Ų17284.1 Ų84.180%0.80448%0.476SS*.THydrogen-bonded Turntrans-113.5-22.2-164.9-61.1-175169.300113.8S56S56-E58 PolarHBondContact O-N 2.87Å
59A53.9Low70.9Confident50 Ų5083.7 Ų83.741%0.41348%0.477SS..SBendtrans-84.9132.3176.300000110.9S56 L61S56-A59 PolarHBondContact O-N 2.81Å; A59-L61 PolarHBondContact O-N 2.93Å
60P64.3Low70.9Confident120 Ų12084.7 Ų84.778%0.77950%0.499SS*.PPolyproline II helixtrans-60.1129.6174.423.3-31.1000109.8
61L78.9Confident71.7Confident42 Ų4288.4 Ų88.422%0.2251%0.512CS..PPolyproline II helixtrans-60.4139.5170.8-63176.8000108.3P28 A59 F87 T88 W186 H190P28-L61 HydrophobicContact CB-CD2 4.05Å; P28-L61 HydrophobicContact CG-CB 4.12Å; P28-L61 HydrophobicContact CG-CD2 3.77Å; P28-L61 HydrophobicContact CG-CG 4.36Å; A59-L61 PolarHBondContact O-N 2.93Å; L61-F87 WeakPolarHBondContact CB-O 3.42Å; L61-F87 VanDerWaalsContact CD1-O 3.31Å; L61-F87 WeakPolarHBondContact CD1-O 3.3Å; L61-T88 WeakPolarHBondContact O-CG2 3.33Å; L61-W186 HydrophobicContact CD1-CH2 4.13Å; L61-W186 HydrophobicContact CD1-CZ2 4.2Å; L61-W186 HydrophobicContact CD2-CZ2 4.01Å; L61-H190 WeakPolarHBondContact CD1-ND1 3.49Å
62S85.5Confident73Confident67 Ų6787.2 Ų87.247%0.46950%0.497SS..  trans-126.2143.5174.763.60000110.2P28P28-S62 WeakPolarHBondContact CD-O 3.32Å
63C90.1Very high74.6Confident4 Ų487.3 Ų87.33%0.02750%0.497CS..  trans-135.1110.9169.6-175.50000107.8L26 Q84 F87L26-C63 VanDerWaalsContact O-CA 3.27Å; L26-C63 WeakPolarHBondContact O-CA 3.46Å; C63-Q84 HydrophobicContact CB-CG 4.25Å; C63-Q84 WeakPolarHBondContact O-CG 3.31Å; C63-Q84 PolarHBondContact O-NE2 3.13Å; C63-Q84 VanDerWaalsContact O-NE2 3.1Å; C63-F87 HydrophobicContact CB-CB 4.21Å; C63-F87 HydrophobicContact CB-CD2 3.88Å; C63-F87 HydrophobicContact CB-CG 4.46Å
64V92.6Very high76.6Confident66 Ų6690.2 Ų90.240%0.451%0.514SS..EExtended strand (participates in β ladder)trans-129.7134.3-168.2-64.70000110.3L25 L26 T66L25-V64 CarbonylContact C-O 3.48Å; L25-V64 WeakPolarHBondContact CA-O 3.3Å; L26-V64 HydrophobicContact CB-CG2 3.99Å; L26-V64 PolarHBondContact N-O 3.37Å; L26-V64 PolarHBondContact O-N 2.68Å; V64-T66 HydrophobicContact CG2-CG2 4.44Å; V64-T66 PolarHBondContact O-N 3.5Å
65V94.9Very high79Confident64 Ų6482.1 Ų82.139%0.38848%0.476SS..EExtended strand (participates in β ladder)trans-65.9125.9171.71790000108.4I23 L25 V80I23-V65 HydrophobicContact CG2-CG1 3.89Å; I23-V65 HydrophobicContact CG2-CG2 4.41Å; L25-V65 HydrophobicContact CD2-CG2 4.23Å; L25-V65 HydrophobicContact CG-CG2 4.29Å; V65-V80 HydrophobicContact CG2-CG1 3.65Å
66T93.8Very high81.2Confident86 Ų8672.8 Ų72.853%0.52844%0.441SS..EExtended strand (participates in β ladder)trans-108.4-28.4179.752.30000112.5S24 L26 V64S24-T66 PolarHBondContact O-N 3.45Å; S24-T66 PolarHBondContact O-OG1 3.38Å; L26-T66 HydrophobicContact CB-CG2 3.79Å; V64-T66 HydrophobicContact CG2-CG2 4.44Å; V64-T66 PolarHBondContact O-N 3.5Å
67D90.3Very high83.6Confident103 Ų10372.6 Ų72.655%0.55143%0.431SS*.EExtended strand (participates in β ladder)trans-148.4133.4176.5-174.817.8000109.4I23 S24I23-D67 WeakPolarHBondContact CA-O 3.35Å; S24-D67 PolarHBondContact N-O 2.68Å; S24-D67 PolarHBondContact O-N 2.9Å
68S89.5Confident85.7Confident52 Ų5269.6 Ų69.636%0.36441%0.41SS..  trans-151.1141.9-179.2177.90000109.7T72S68-T72 VanDerWaalsContact OG-CG2 3.25Å; S68-T72 WeakPolarHBondContact OG-CG2 3.26Å
69P83.4Confident87.9Confident43 Ų4361.4 Ų61.428%0.27937%0.371SS..  trans-62.9156.7168.931.1-37.7000110.4K21 T22 E71 T72K21-P69 HydrophobicContact CB-CG 4.15Å; K21-P69 HydrophobicContact CD-CB 4.36Å; K21-P69 HydrophobicContact CD-CG 4.09Å; T22-P69 WeakPolarHBondContact O-CD 3.46Å; P69-E71 PolarHBondContact O-N 2.94Å; P69-T72 HydrophobicContact CG-CG2 3.65Å
70A79.8Confident89.9Confident115 Ų11559.1 Ų59.195%0.9535%0.352SS*.SBendtrans-58.9-29.5179.100000113.4
71E84.5Confident91.4Very high146 Ų14657.3 Ų57.368%0.68233%0.334SS*.SBendtrans-127.7115.3176.4-65.9177.6179.200109.7K21 P69K21-E71 VanDerWaalsContact CD-O 3.28Å; K21-E71 WeakPolarHBondContact CD-O 3.25Å; K21-E71 PolarHBondContact NZ-O 3.35Å; P69-E71 PolarHBondContact O-N 2.94Å
72T89.8Confident92.3Very high48 Ų4856 Ų5629%0.29433%0.326SS..  trans-106.1149.6174.850.50000110.3I23 S68 P69I23-T72 HydrophobicContact CD1-CG2 3.48Å; I23-T72 VanDerWaalsContact CD1-CG2 3.48Å; I23-T72 HydrophobicContact CG1-CG2 3.85Å; S68-T72 VanDerWaalsContact OG-CG2 3.25Å; S68-T72 WeakPolarHBondContact OG-CG2 3.26Å; P69-T72 HydrophobicContact CG-CG2 3.65Å
73S94.1Very high92.8Very high15 Ų1552.9 Ų52.911%0.10530%0.304CS..  trans-74.1153.6175.671.80000110.8C37 E75 M76 Q77C37-S73 WeakPolarHBondContact O-CB 3.43Å; C37-S73 PolarHBondContact O-OG 2.97Å; S73-E75 PolarHBondContact O-N 3.39Å; S73-E75 VanDerWaalsContact O-N 3.15Å; S73-M76 PolarHBondContact O-N 2.88Å; S73-M76 VanDerWaalsContact O-N 3.08Å; S73-M76 WeakPolarHBondContact OG-CG 3.44Å; S73-M76 PolarHBondContact OG-N 3.14Å; S73-Q77 PolarHBondContact O-N 3.45Å
74P95.7Very high93Very high90 Ų9055.5 Ų55.558%0.58432%0.316SS*.Hα-helixtrans-55.9-32176-2735.4000113.5Q77 R78P74-Q77 PolarHBondContact O-N 3.08Å; P74-R78 WeakPolarHBondContact O-CG 3.44Å; P74-R78 PolarHBondContact O-N 2.89Å
75E96.8Very high93.1Very high28 Ų2852.8 Ų52.813%0.13130%0.3CS..Hα-helixtrans-69.5-40.3178-56.9-56.8151.700112.2S73 Q77 R78 C79 P99 A100S73-E75 PolarHBondContact O-N 3.39Å; S73-E75 VanDerWaalsContact O-N 3.15Å; E75-Q77 VanDerWaalsContact C-N 3.34Å; E75-R78 PolarHBondContact O-N 2.84Å; E75-R78 IonicContact OE1-CZ 3.14Å; E75-R78 IonicContact OE1-NH1 2.9Å; E75-R78 PolarHBondContact OE1-NH1 2.85Å; E75-R78 IonicContact OE1-NH2 2.66Å; E75-R78 PolarHBondContact OE1-NH2 3.18Å; E75-R78 IonicContact OE2-CZ 3.32Å; E75-R78 VanDerWaalsContact OE2-CZ 3.32Å; E75-R78 IonicContact OE2-NH1 2.68Å; E75-R78 PolarHBondContact OE2-NH1 3.1Å; E75-R78 IonicContact OE2-NH2 3.65Å; E75-C79 PolarHBondContact O-N 2.93Å; E75-C79 VanDerWaalsContact O-N 3.11Å; E75-P99 VanDerWaalsContact O-CB 3.24Å; E75-P99 WeakPolarHBondContact O-CB 3.47Å; E75-P99 WeakPolarHBondContact OE2-CA 3.11Å; E75-A100 HydrophobicContact CG-CB 4.13Å; E75-A100 WeakPolarHBondContact OE2-CB 3.19Å; E75-A100 PolarHBondContact OE2-N 2.93Å
76M97.2Very high93Very high0 Ų049.7 Ų49.70%028%0.281CS..Hα-helixtrans-66.9-38.5174.3-68.6177.578.400111.3K21 I23 S73 C79 V80K21-M76 HydrophobicContact CB-CE 4.19Å; K21-M76 HydrophobicContact CB-SD 4.17Å; K21-M76 VanDerWaalsContact O-CE 3.23Å; K21-M76 WeakPolarHBondContact O-CE 3.48Å; I23-M76 HydrophobicContact CD1-CB 3.9Å; I23-M76 HydrophobicContact CD1-CE 3.77Å; I23-M76 HydrophobicContact CG1-CE 3.73Å; S73-M76 PolarHBondContact O-N 2.88Å; S73-M76 VanDerWaalsContact O-N 3.08Å; S73-M76 WeakPolarHBondContact OG-CG 3.44Å; S73-M76 PolarHBondContact OG-N 3.14Å; M76-C79 WeakPolarHBondContact O-CB 3.47Å; M76-C79 PolarHBondContact O-N 2.64Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.48Å
77Q96Very high93Very high75 Ų7545.6 Ų45.635%0.3526%0.256SS..Hα-helixtrans-63-44.4176.5-175.858.631.300111.8S73 P74 E75 C79 V80 E81S73-Q77 PolarHBondContact O-N 3.45Å; P74-Q77 PolarHBondContact O-N 3.08Å; E75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-C79 VanDerWaalsContact C-N 3.29Å; Q77-C79 PolarHBondContact O-N 3.19Å; Q77-V80 WeakPolarHBondContact O-CB 3.3Å; Q77-V80 PolarHBondContact O-N 3.36Å; Q77-V80 VanDerWaalsContact O-N 3.13Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.33Å; Q77-E81 PolarHBondContact NE2-OE1 3.25Å; Q77-E81 VanDerWaalsContact NE2-OE1 3.08Å; Q77-E81 WeakPolarHBondContact O-CG 3.2Å; Q77-E81 PolarHBondContact O-N 3.11Å
78R97.1Very high93Very high75 Ų7543.1 Ų43.128%0.28324%0.244SC..Hα-helixtrans-59.8-38.4173-76.4-174.5-123.2134.710112.7P74 E75 W82 P99P74-R78 WeakPolarHBondContact O-CG 3.44Å; P74-R78 PolarHBondContact O-N 2.89Å; E75-R78 PolarHBondContact O-N 2.84Å; E75-R78 IonicContact OE1-CZ 3.14Å; E75-R78 IonicContact OE1-NH1 2.9Å; E75-R78 PolarHBondContact OE1-NH1 2.85Å; E75-R78 IonicContact OE1-NH2 2.66Å; E75-R78 PolarHBondContact OE1-NH2 3.18Å; E75-R78 IonicContact OE2-CZ 3.32Å; E75-R78 VanDerWaalsContact OE2-CZ 3.32Å; E75-R78 IonicContact OE2-NH1 2.68Å; E75-R78 PolarHBondContact OE2-NH1 3.1Å; E75-R78 IonicContact OE2-NH2 3.65Å; R78-W82 VanDerWaalsContact O-CB 3.32Å; R78-W82 WeakPolarHBondContact O-CB 3.45Å; R78-W82 PolarHBondContact O-N 3.26Å; R78-P99 HydrophobicContact CB-CB 4.21Å
79C97.6Very high92.9Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-62.7-42.7174.7-173.40000112.1V34 V41 E75 M76 Q77 L83 P99V34-C79 HydrophobicContact CG1-CB 4.15Å; V41-C79 HydrophobicContact CG2-CB 3.63Å; E75-C79 PolarHBondContact O-N 2.93Å; E75-C79 VanDerWaalsContact O-N 3.11Å; M76-C79 WeakPolarHBondContact O-CB 3.47Å; M76-C79 PolarHBondContact O-N 2.64Å; Q77-C79 VanDerWaalsContact C-N 3.29Å; Q77-C79 PolarHBondContact O-N 3.19Å; C79-L83 WeakPolarHBondContact O-CB 3.18Å; C79-L83 VanDerWaalsContact O-CG 3.26Å; C79-L83 WeakPolarHBondContact O-CG 3.29Å; C79-L83 PolarHBondContact O-N 2.87Å; C79-P99 HydrophobicContact CB-CB 4.38Å; C79-P99 HydrophobicContact CB-CG 4.02Å
80V96.8Very high92.8Very high2 Ų244.5 Ų44.51%0.01224%0.242CC..Hα-helixtrans-61.9-51.2176.6166.60000110.3I23 L25 V65 M76 Q77 W82 L83 Q84I23-V80 HydrophobicContact CD1-CG2 3.91Å; I23-V80 HydrophobicContact CG2-CG2 4.06Å; L25-V80 HydrophobicContact CD1-CG2 4.43Å; L25-V80 HydrophobicContact CD2-CG1 4.05Å; L25-V80 HydrophobicContact CD2-CG2 4.34Å; V65-V80 HydrophobicContact CG2-CG1 3.65Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.48Å; Q77-V80 WeakPolarHBondContact O-CB 3.3Å; Q77-V80 PolarHBondContact O-N 3.36Å; Q77-V80 VanDerWaalsContact O-N 3.13Å; V80-W82 VanDerWaalsContact C-N 3.3Å; V80-W82 PolarHBondContact O-N 2.81Å; V80-L83 PolarHBondContact O-N 2.88Å; V80-L83 VanDerWaalsContact O-N 3.14Å; V80-Q84 HydrophobicContact CG1-CG 4.38Å; V80-Q84 VanDerWaalsContact O-CG 3.3Å; V80-Q84 WeakPolarHBondContact O-CG 3.48Å; V80-Q84 PolarHBondContact O-N 3.09Å
81E95.6Very high92.9Very high83 Ų8344.4 Ų44.439%0.38822%0.222SC..Hα-helixtrans-57.5-43.8178.7-73.1166.3-167.600111.8Q77 Q84 A85Q77-E81 WeakPolarHBondContact CG-OE1 3.33Å; Q77-E81 PolarHBondContact NE2-OE1 3.25Å; Q77-E81 VanDerWaalsContact NE2-OE1 3.08Å; Q77-E81 WeakPolarHBondContact O-CG 3.2Å; Q77-E81 PolarHBondContact O-N 3.11Å; E81-Q84 PolarHBondContact O-N 3.21Å; E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 2.7Å
82W96.9Very high92.8Very high15 Ų1540 Ų406%0.05721%0.205CC..Hα-helixtrans-62.8-45.6176.3-170.395.6000112.1R78 V80 Q84 A85 Y86 A93 L158 L159R78-W82 VanDerWaalsContact O-CB 3.32Å; R78-W82 WeakPolarHBondContact O-CB 3.45Å; R78-W82 PolarHBondContact O-N 3.26Å; V80-W82 VanDerWaalsContact C-N 3.3Å; V80-W82 PolarHBondContact O-N 2.81Å; W82-Q84 VanDerWaalsContact C-N 3.32Å; W82-Q84 PolarHBondContact O-N 2.86Å; W82-A85 PolarHBondContact O-N 2.9Å; W82-Y86 AromaticContact CH2-CD2 3.45Å; W82-Y86 HydrophobicContact CH2-CD2 3.45Å; W82-Y86 VanDerWaalsContact CH2-CD2 3.45Å; W82-Y86 HydrophobicContact CH2-CE2 4.14Å; W82-Y86 AromaticContact CH2-CG 3.88Å; W82-Y86 HydrophobicContact CH2-CG 3.88Å; W82-Y86 HydrophobicContact CZ2-CD2 4.09Å; W82-Y86 AromaticContact CZ3-CD2 3.91Å; W82-Y86 HydrophobicContact CZ3-CD2 3.91Å; W82-Y86 AromaticContact CZ3-CG 3.82Å; W82-Y86 HydrophobicContact CZ3-CG 3.82Å; W82-Y86 VanDerWaalsContact O-CB 3.31Å; W82-Y86 WeakPolarHBondContact O-CB 3.32Å; W82-Y86 PolarHBondContact O-N 3.17Å; W82-A93 PolarHBondContact NE1-O 3.43Å; W82-L158 HydrophobicContact CH2-CB 4.48Å; W82-L158 WeakPolarHBondContact CH2-O 3.46Å; W82-L158 HydrophobicContact CZ3-CB 4.05Å; W82-L159 HydrophobicContact CB-CD2 4.25Å; W82-L159 HydrophobicContact CD2-CD2 3.28Å; W82-L159 HydrophobicContact CD2-CG 4.44Å; W82-L159 HydrophobicContact CE3-CD2 3.35Å; W82-L159 HydrophobicContact CE3-CG 4.07Å; W82-L159 HydrophobicContact CG-CD2 3.66Å; W82-L159 HydrophobicContact CH2-CD2 4.29Å; W82-L159 HydrophobicContact CZ2-CD2 4.23Å; W82-L159 HydrophobicContact CZ3-CD2 3.88Å; W82-L159 HydrophobicContact CZ3-CG 4.3Å
83L96.3Very high92.3Very high0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-63.1-40.7178.3-75.7169000111.4L25 I32 V34 C79 V80 Y86 F87 L158L25-L83 HydrophobicContact CD1-CD1 4.36Å; I32-L83 HydrophobicContact CG2-CD1 4.13Å; V34-L83 HydrophobicContact CG2-CD1 3.59Å; C79-L83 WeakPolarHBondContact O-CB 3.18Å; C79-L83 VanDerWaalsContact O-CG 3.26Å; C79-L83 WeakPolarHBondContact O-CG 3.29Å; C79-L83 PolarHBondContact O-N 2.87Å; V80-L83 PolarHBondContact O-N 2.88Å; V80-L83 VanDerWaalsContact O-N 3.14Å; L83-Y86 PolarHBondContact O-N 2.84Å; L83-F87 WeakPolarHBondContact O-CD2 3.09Å; L83-F87 PolarHBondContact O-N 3.31Å; L83-L158 HydrophobicContact CD2-CB 4.34Å; L83-L158 HydrophobicContact CD2-CD1 3.71Å
84Q95.1Very high91.6Very high60 Ų6040.5 Ų40.528%0.2822%0.222SC..Hα-helixtrans-60.7-54.8176.4-69.7-178.6-55.200110.6C63 V80 E81 W82 Y86 F87 T88C63-Q84 HydrophobicContact CB-CG 4.25Å; C63-Q84 WeakPolarHBondContact O-CG 3.31Å; C63-Q84 PolarHBondContact O-NE2 3.13Å; C63-Q84 VanDerWaalsContact O-NE2 3.1Å; V80-Q84 HydrophobicContact CG1-CG 4.38Å; V80-Q84 VanDerWaalsContact O-CG 3.3Å; V80-Q84 WeakPolarHBondContact O-CG 3.48Å; V80-Q84 PolarHBondContact O-N 3.09Å; E81-Q84 PolarHBondContact O-N 3.21Å; W82-Q84 VanDerWaalsContact C-N 3.32Å; W82-Q84 PolarHBondContact O-N 2.86Å; Q84-Y86 VanDerWaalsContact C-N 3.3Å; Q84-Y86 PolarHBondContact O-N 3.43Å; Q84-F87 PolarHBondContact O-N 2.66Å; Q84-F87 VanDerWaalsContact O-N 3.12Å; Q84-T88 PolarHBondContact O-N 3.46Å; Q84-T88 PolarHBondContact O-OG1 2.92Å
85A93.8Very high91Very high8 Ų840.8 Ų40.87%0.06623%0.226CC..Hα-helixtrans-58.9-40.1177.700000112.4E81 W82 F87 T88 E89 P90 A93 L96E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 2.7Å; W82-A85 PolarHBondContact O-N 2.9Å; A85-F87 PolarHBondContact O-N 3.03Å; A85-T88 PolarHBondContact O-N 3.43Å; A85-E89 CarbonylContact O-C 2.91Å; A85-E89 WeakPolarHBondContact O-CA 3.28Å; A85-E89 PolarHBondContact O-N 3.36Å; A85-P90 VanDerWaalsContact O-N 3.16Å; A85-A93 HydrophobicContact CB-CB 4.18Å; A85-L96 HydrophobicContact CB-CD1 3.39Å
86Y94.1Very high90.7Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-53.9-39.5177.9176.9-95.3000112.1W82 L83 Q84 F125 L158 L187 H190 E191W82-Y86 AromaticContact CH2-CD2 3.45Å; W82-Y86 HydrophobicContact CH2-CD2 3.45Å; W82-Y86 VanDerWaalsContact CH2-CD2 3.45Å; W82-Y86 HydrophobicContact CH2-CE2 4.14Å; W82-Y86 AromaticContact CH2-CG 3.88Å; W82-Y86 HydrophobicContact CH2-CG 3.88Å; W82-Y86 HydrophobicContact CZ2-CD2 4.09Å; W82-Y86 AromaticContact CZ3-CD2 3.91Å; W82-Y86 HydrophobicContact CZ3-CD2 3.91Å; W82-Y86 AromaticContact CZ3-CG 3.82Å; W82-Y86 HydrophobicContact CZ3-CG 3.82Å; W82-Y86 VanDerWaalsContact O-CB 3.31Å; W82-Y86 WeakPolarHBondContact O-CB 3.32Å; W82-Y86 PolarHBondContact O-N 3.17Å; L83-Y86 PolarHBondContact O-N 2.84Å; Q84-Y86 VanDerWaalsContact C-N 3.3Å; Q84-Y86 PolarHBondContact O-N 3.43Å; Y86-F125 HydrophobicContact CD2-CD2 4.27Å; Y86-F125 AromaticContact CD2-CE2 3.93Å; Y86-F125 HydrophobicContact CD2-CE2 3.93Å; Y86-F125 AromaticContact CE2-CD2 3.98Å; Y86-F125 HydrophobicContact CE2-CD2 3.98Å; Y86-F125 AromaticContact CE2-CE2 3.64Å; Y86-F125 HydrophobicContact CE2-CE2 3.64Å; Y86-L158 HydrophobicContact CE1-CD2 4.21Å; Y86-L187 HydrophobicContact CE1-CD2 3.77Å; Y86-L187 WeakPolarHBondContact OH-CD2 3.22Å; Y86-H190 PolarHBondContact O-NE2 2.94Å; Y86-E191 HydrophobicContact CE2-CG 4.38Å; Y86-E191 WeakPolarHBondContact CE2-OE1 3.49Å; Y86-E191 PolarHBondContact OH-OE1 3.35Å; Y86-E191 VanDerWaalsContact OH-OE1 3.07Å
87F91.9Very high90.5Very high0 Ų046.1 Ų46.10%026%0.26CS..Hα-helixtrans-89.7-40.4179.6-65.1-65.2000113.8P28 L29 I32 L61 C63 L83 Q84 A85 L158 W186P28-F87 HydrophobicContact CB-CD1 4.4Å; P28-F87 HydrophobicContact CG-CB 4.23Å; P28-F87 HydrophobicContact CG-CD1 3.78Å; P28-F87 HydrophobicContact CG-CE1 4.35Å; P28-F87 HydrophobicContact CG-CG 4.05Å; L29-F87 HydrophobicContact CD1-CE1 4.07Å; L29-F87 HydrophobicContact CD1-CZ 3.76Å; L29-F87 HydrophobicContact CG-CE1 3.97Å; L29-F87 HydrophobicContact CG-CZ 3.97Å; I32-F87 HydrophobicContact CD1-CE2 3.78Å; I32-F87 HydrophobicContact CD1-CZ 3.99Å; L61-F87 WeakPolarHBondContact CB-O 3.42Å; L61-F87 VanDerWaalsContact CD1-O 3.31Å; L61-F87 WeakPolarHBondContact CD1-O 3.3Å; C63-F87 HydrophobicContact CB-CB 4.21Å; C63-F87 HydrophobicContact CB-CD2 3.88Å; C63-F87 HydrophobicContact CB-CG 4.46Å; L83-F87 WeakPolarHBondContact O-CD2 3.09Å; L83-F87 PolarHBondContact O-N 3.31Å; Q84-F87 PolarHBondContact O-N 2.66Å; Q84-F87 VanDerWaalsContact O-N 3.12Å; A85-F87 PolarHBondContact O-N 3.03Å; F87-L158 HydrophobicContact CE2-CD1 4.34Å; F87-L158 HydrophobicContact CZ-CD1 3.92Å; F87-W186 AromaticContact CD1-CH2 3.94Å; F87-W186 HydrophobicContact CD1-CH2 3.94Å; F87-W186 HydrophobicContact CD1-CZ3 4.12Å; F87-W186 HydrophobicContact CE1-CH2 4.09Å; F87-W186 AromaticContact CE1-CZ3 3.84Å; F87-W186 HydrophobicContact CE1-CZ3 3.84Å
88T90.3Very high90.4Very high50 Ų5046 Ų4631%0.30726%0.261SS..Hα-helixtrans-92.9-34.2-170.863.20000113.1L61 Q84 A85L61-T88 WeakPolarHBondContact O-CG2 3.33Å; Q84-T88 PolarHBondContact O-N 3.46Å; Q84-T88 PolarHBondContact O-OG1 2.92Å; A85-T88 PolarHBondContact O-N 3.43Å
89E88.3Confident90.4Very high117 Ų11742.7 Ų42.755%0.54725%0.249SC..  trans-138.457.6-171.9-65.7172.8-11600110.9A85 Q91 T92 A93A85-E89 CarbonylContact O-C 2.91Å; A85-E89 WeakPolarHBondContact O-CA 3.28Å; A85-E89 PolarHBondContact O-N 3.36Å; E89-Q91 PolarHBondContact O-N 3.34Å; E89-T92 HydrophobicContact CB-CG2 4.48Å; E89-T92 WeakPolarHBondContact CB-OG1 3.4Å; E89-T92 PolarHBondContact O-N 3.41Å; E89-T92 PolarHBondContact O-OG1 3.32Å; E89-A93 PolarHBondContact O-N 3.35Å
90P82Confident90.4Very high8 Ų844.6 Ų44.65%0.05227%0.266CS..Hα-helixtrans-57-27.3-169.117.2-30.6000114.5A85 T92 A93 F125 R194A85-P90 VanDerWaalsContact O-N 3.16Å; P90-T92 PolarHBondContact O-N 2.82Å; P90-A93 PolarHBondContact O-N 2.96Å; P90-F125 HydrophobicContact CB-CE1 4.1Å; P90-F125 HydrophobicContact CB-CE2 3.84Å; P90-F125 HydrophobicContact CB-CZ 3.35Å; P90-F125 HydrophobicContact CG-CZ 4.48Å; P90-R194 HydrophobicContact CB-CB 4.34Å; P90-R194 HydrophobicContact CG-CB 3.56Å; P90-R194 HydrophobicContact CG-CG 4.18Å
91Q81.4Confident90.5Very high113 Ų11346.6 Ų46.653%0.52827%0.274SS..Hα-helixtrans-61.8-28.1175.7-54.4-68.626.600112.9E89 R194E89-Q91 PolarHBondContact O-N 3.34Å; Q91-R194 PolarHBondContact NE2-O 2.95Å; Q91-R194 VanDerWaalsContact NE2-O 3.14Å; Q91-R194 PolarHBondContact OE1-O 3.25Å
92T82Confident90.5Very high53 Ų5344.9 Ų44.933%0.32527%0.266SS..Hα-helixtrans-95.3-23.7-179.367.40000112.3E89 P90 G94 S95 L96E89-T92 HydrophobicContact CB-CG2 4.48Å; E89-T92 WeakPolarHBondContact CB-OG1 3.4Å; E89-T92 PolarHBondContact O-N 3.41Å; E89-T92 PolarHBondContact O-OG1 3.32Å; P90-T92 PolarHBondContact O-N 2.82Å; T92-G94 VanDerWaalsContact C-N 3.25Å; T92-G94 PolarHBondContact O-N 3.47Å; T92-G94 VanDerWaalsContact O-N 3.13Å; T92-S95 WeakPolarHBondContact O-CB 3.37Å; T92-S95 PolarHBondContact O-N 3.12Å; T92-S95 PolarHBondContact O-OG 3.36Å; T92-L96 PolarHBondContact O-N 3.34Å
93A79Confident90.5Very high1 Ų146.4 Ų46.41%0.00827%0.274CS..Hα-helixtrans-56.5-34.5-174.800000114W82 A85 E89 P90 S95 L96W82-A93 PolarHBondContact NE1-O 3.43Å; A85-A93 HydrophobicContact CB-CB 4.18Å; E89-A93 PolarHBondContact O-N 3.35Å; P90-A93 PolarHBondContact O-N 2.96Å; A93-S95 VanDerWaalsContact C-N 3.26Å; A93-S95 PolarHBondContact O-N 3.1Å; A93-L96 PolarHBondContact O-N 2.95Å
94G79Confident90.3Very high72 Ų7251 Ų5174%0.74230%0.303SS*.THydrogen-bonded Turntrans-70-18.4176.800000114.7T92T92-G94 VanDerWaalsContact C-N 3.25Å; T92-G94 PolarHBondContact O-N 3.47Å; T92-G94 VanDerWaalsContact O-N 3.13Å
95S84.9Confident90.2Very high97 Ų9749.4 Ų49.468%0.67830%0.301SS*.THydrogen-bonded Turntrans-95.4-14.5-179.771.80000113.5T92 A93T92-S95 WeakPolarHBondContact O-CB 3.37Å; T92-S95 PolarHBondContact O-N 3.12Å; T92-S95 PolarHBondContact O-OG 3.36Å; A93-S95 VanDerWaalsContact C-N 3.26Å; A93-S95 PolarHBondContact O-N 3.1Å
96L90.1Very high90.3Very high55 Ų5549.5 Ų49.529%0.28830%0.3SS..SBendtrans-72.7143.5-179.8-68.2178.5000111.3A85 T92 A93 L98A85-L96 HydrophobicContact CB-CD1 3.39Å; T92-L96 PolarHBondContact O-N 3.34Å; A93-L96 PolarHBondContact O-N 2.95Å; L96-L98 PolarHBondContact O-N 3.46Å
97P91.9Very high90Very high84 Ų8454 Ų5455%0.54532%0.321SS..PPolyproline II helixtrans-64.4130.3175.227.7-33.7000110.2
98L95.4Very high89.9Confident73 Ų7357.2 Ų57.238%0.38235%0.354SS..PPolyproline II helixtrans-68.8147.3171.9-65173.5000110.3L96 L120 L159L96-L98 PolarHBondContact O-N 3.46Å; L98-L120 HydrophobicContact CD1-CD1 3.83Å; L98-L120 HydrophobicContact CD1-CD2 4.29Å; L98-L120 HydrophobicContact CD1-CG 4.26Å; L98-L159 HydrophobicContact CD2-CD2 3.75Å
99P97.1Very high89.8Confident5 Ų561 Ų613%0.03237%0.372CS..PPolyproline II helixtrans-69.6156.6170.433.3-37.2000110.9V41 E75 R78 C79 F101 L159V41-P99 HydrophobicContact CG2-CB 3.89Å; V41-P99 HydrophobicContact CG2-CG 4.01Å; E75-P99 VanDerWaalsContact O-CB 3.24Å; E75-P99 WeakPolarHBondContact O-CB 3.47Å; E75-P99 WeakPolarHBondContact OE2-CA 3.11Å; R78-P99 HydrophobicContact CB-CB 4.21Å; C79-P99 HydrophobicContact CB-CB 4.38Å; C79-P99 HydrophobicContact CB-CG 4.02Å; P99-F101 HydrophobicContact CG-CE1 4.15Å; P99-L159 HydrophobicContact CG-CD1 3.7Å
100A97.4Very high90.1Very high41 Ų4158 Ų5834%0.33937%0.368SS..PPolyproline II helixtrans-63.5147.1163.900000110.1G40 V41 E75G40-A100 CarbonylContact C-O 3.54Å; G40-A100 WeakPolarHBondContact CA-O 3.31Å; V41-A100 PolarHBondContact N-O 3.33Å; E75-A100 HydrophobicContact CG-CB 4.13Å; E75-A100 WeakPolarHBondContact OE2-CB 3.19Å; E75-A100 PolarHBondContact OE2-N 2.93Å
101F97.5Very high90.8Very high43 Ų4359.6 Ų59.619%0.18937%0.374CS..BIsolated β-bridgetrans-109.3132177.8-58.9-55.6000111.3P99 L106 L120 V156 L159P99-F101 HydrophobicContact CG-CE1 4.15Å; F101-L106 HydrophobicContact CB-CB 4.47Å; F101-L106 HydrophobicContact CB-CD1 3.58Å; F101-L106 HydrophobicContact CD1-CD1 4.15Å; F101-L106 HydrophobicContact CD2-CD1 4.16Å; F101-L106 HydrophobicContact CG-CD1 3.71Å; F101-L120 HydrophobicContact CE2-CD2 3.65Å; F101-L120 HydrophobicContact CZ-CD2 4.36Å; F101-V156 HydrophobicContact CD1-CG1 4.34Å; F101-V156 HydrophobicContact CD1-CG2 4.17Å; F101-V156 HydrophobicContact CE1-CB 4.41Å; F101-V156 HydrophobicContact CE1-CG1 4.45Å; F101-V156 HydrophobicContact CE1-CG2 3.93Å; F101-V156 HydrophobicContact CZ-CG2 4.42Å; F101-L159 HydrophobicContact CE1-CB 4.46Å; F101-L159 HydrophobicContact CE1-CD1 3.82Å; F101-L159 HydrophobicContact CZ-CB 4.36Å; F101-L159 HydrophobicContact CZ-CD1 4.32Å
102H96.8Very high91.5Very high48 Ų4855.3 Ų55.322%0.22236%0.356CS..  trans-124.857.4178.4-166.9-123.3000110.9C37 N39 V41 H42 Q107C37-H102 PolarHBondContact SG-ND1 3.39Å; C37-H102 VanDerWaalsContact SG-ND1 3.37Å; N39-H102 HydrophobicContact CB-CB 4.17Å; V41-H102 PolarHBondContact O-N 2.97Å; H42-H102 AromaticContact CE1-CE1 3.98Å; H42-H102 AromaticContact CE1-CG 3.94Å; H42-H102 AromaticContact CE1-ND1 3.15Å; H42-H102 PolarHBondContact CE1-ND1 2.97Å; H42-H102 PolarHBondContact CE1-O 2.91Å; H42-H102 VanDerWaalsContact CG-O 3.27Å; H42-H102 PolarHBondContact ND1-O 3.45Å; H42-H102 AromaticContact NE2-CG 3.7Å; H42-H102 AromaticContact NE2-ND1 2.94Å; H42-H102 PolarHBondContact NE2-ND1 2.9Å; H42-H102 PolarHBondContact NE2-O 3.48Å; H102-Q107 PolarHBondContact CD2-NE2 3.38Å
103H96.6Very high92.2Very high46 Ų4653.1 Ų53.121%0.21334%0.343CS..  trans-126.4134.6177.8-170.1-81.5000110.9H42 A105 L106 Q107 P155H42-H103 WeakPolarHBondContact O-CB 3.27Å; H42-H103 PolarHBondContact O-CD2 2.97Å; H103-A105 VanDerWaalsContact ND1-CB 3.3Å; H103-A105 WeakPolarHBondContact ND1-CB 3.46Å; H103-A105 PolarHBondContact ND1-N 2.86Å; H103-A105 PolarHBondContact O-N 3.01Å; H103-A105 VanDerWaalsContact O-N 3.11Å; H103-L106 HydrophobicContact CB-CD1 4.28Å; H103-L106 HydrophobicContact CB-CG 4.4Å; H103-L106 PolarHBondContact O-N 3.39Å; H103-Q107 PolarHBondContact O-N 3.02Å; H103-P155 HydrophobicContact CB-CB 4.33Å; H103-P155 HydrophobicContact CB-CG 4Å
104P92.8Very high93.1Very high96 Ų9658.7 Ų58.762%0.62336%0.364SS*.G310 helixtrans-54.7-35.5-177.4-28.534.9000114.4L106 Q107P104-L106 PolarHBondContact O-N 3Å; P104-Q107 PolarHBondContact O-N 3.27Å; P104-Q107 VanDerWaalsContact O-N 3.12Å
105A92.8Very high94.1Very high27 Ų2755.3 Ų55.322%0.22333%0.328CS..G310 helixtrans-64.7-16.4177.200000114.8H103H103-A105 VanDerWaalsContact ND1-CB 3.3Å; H103-A105 WeakPolarHBondContact ND1-CB 3.46Å; H103-A105 PolarHBondContact ND1-N 2.86Å; H103-A105 PolarHBondContact O-N 3.01Å; H103-A105 VanDerWaalsContact O-N 3.11Å
106L94.6Very high94.7Very high11 Ų1150.7 Ų50.76%0.05830%0.296CS..G310 helixtrans-104.6-1.7178.3-58.5178000112.5F101 H103 P104 L116 P155 V156 I160F101-L106 HydrophobicContact CB-CB 4.47Å; F101-L106 HydrophobicContact CB-CD1 3.58Å; F101-L106 HydrophobicContact CD1-CD1 4.15Å; F101-L106 HydrophobicContact CD2-CD1 4.16Å; F101-L106 HydrophobicContact CG-CD1 3.71Å; H103-L106 HydrophobicContact CB-CD1 4.28Å; H103-L106 HydrophobicContact CB-CG 4.4Å; H103-L106 PolarHBondContact O-N 3.39Å; P104-L106 PolarHBondContact O-N 3Å; L106-L116 HydrophobicContact CD2-CB 4.07Å; L106-L116 HydrophobicContact CD2-CD1 3.69Å; L106-P155 HydrophobicContact CD1-CG 3.8Å; L106-P155 HydrophobicContact CD2-CG 4.22Å; L106-P155 HydrophobicContact CG-CG 3.82Å; L106-V156 HydrophobicContact CD1-CG2 3.82Å; L106-I160 HydrophobicContact CD1-CD1 4.09Å; L106-I160 HydrophobicContact CD2-CD1 3.37Å; L106-I160 HydrophobicContact CG-CD1 4.39Å
107Q88.9Confident95.1Very high93 Ų9351.8 Ų51.844%0.43530%0.3SS..SBendtrans-104.5155.1179.1-66.4173.7-11.800110.1H102 H103 P104H102-Q107 PolarHBondContact CD2-NE2 3.38Å; H103-Q107 PolarHBondContact O-N 3.02Å; P104-Q107 PolarHBondContact O-N 3.27Å; P104-Q107 VanDerWaalsContact O-N 3.12Å
108G88.5Confident95.4Very high68 Ų6848.5 Ų48.570%0.70128%0.278SS*.SBendtrans72.5-167.2177.700000114.9S113G108-S113 PolarHBondContact O-OG 2.96Å; G108-S113 VanDerWaalsContact O-OG 3.12Å
109D88.8Confident95.5Very high129 Ų12945 Ų4569%0.6926%0.26SS*.SBendtrans-109.711.5-167.171.2-17.7000113.8R114D109-R114 VanDerWaalsContact O-CZ 3.31Å; D109-R114 PolarHBondContact O-NH1 3.02Å
110A95.1Very high95.5Very high56 Ų5646.2 Ų46.246%0.46327%0.266SS..  trans-58.2146.4175.800000110.8T112 S113 R114A110-T112 PolarHBondContact O-N 2.95Å; A110-T112 VanDerWaalsContact O-N 3.1Å; A110-S113 WeakPolarHBondContact O-CB 3.44Å; A110-S113 PolarHBondContact O-N 2.84Å; A110-R114 PolarHBondContact O-N 3.26Å; A110-R114 VanDerWaalsContact O-N 3.08Å
111F95.9Very high95.5Very high40 Ų4051.7 Ų51.718%0.17528%0.278CS..Hα-helixtrans-55.7-33.8-179.8-176.7-108.7000112.8R114 V115 A138 N140 A143 A146 V147F111-R114 PolarHBondContact O-N 2.88Å; F111-V115 HydrophobicContact CD1-CG2 4.01Å; F111-V115 HydrophobicContact CD2-CG2 4.38Å; F111-V115 HydrophobicContact CE1-CG2 3.57Å; F111-V115 HydrophobicContact CE2-CG2 3.98Å; F111-V115 HydrophobicContact CG-CG2 4.4Å; F111-V115 HydrophobicContact CZ-CG2 3.55Å; F111-V115 VanDerWaalsContact O-CG2 3.27Å; F111-V115 WeakPolarHBondContact O-CG2 3.22Å; F111-V115 PolarHBondContact O-N 3.14Å; F111-A138 HydrophobicContact CE2-CB 3.89Å; F111-A138 HydrophobicContact CZ-CB 4.19Å; F111-N140 HydrophobicContact CE2-CB 3.82Å; F111-N140 HydrophobicContact CZ-CB 4.19Å; F111-A143 HydrophobicContact CE1-CB 3.64Å; F111-A143 HydrophobicContact CE2-CB 4.38Å; F111-A143 HydrophobicContact CZ-CB 3.53Å; F111-A146 HydrophobicContact CD1-CB 3.95Å; F111-A146 HydrophobicContact CE1-CB 3.79Å; F111-V147 HydrophobicContact CE1-CG2 4.23Å; F111-V147 HydrophobicContact CZ-CG2 4.27Å
112T97.1Very high95.4Very high24 Ų2452.4 Ų52.415%0.14728%0.283CS..Hα-helixtrans-58.1-51.3172.7-56.60000112A110 R114 V115 L116 A150 R153A110-T112 PolarHBondContact O-N 2.95Å; A110-T112 VanDerWaalsContact O-N 3.1Å; T112-R114 PolarHBondContact O-N 2.78Å; T112-V115 PolarHBondContact O-N 2.97Å; T112-L116 HydrophobicContact CG2-CD1 3.95Å; T112-L116 HydrophobicContact CG2-CG 4.45Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.39Å; T112-L116 PolarHBondContact O-N 2.81Å; T112-A150 HydrophobicContact CG2-CB 3.93Å; T112-R153 HydrophobicContact CG2-CB 4.35Å; T112-R153 PolarHBondContact OG1-NE 3.1Å; T112-R153 PolarHBondContact OG1-NH2 2.83Å
113S97Very high95.4Very high6 Ų650.3 Ų50.34%0.04227%0.274CS..Hα-helixtrans-58.5-48.7179.1175.10000110G108 A110 V115 L116 Q117G108-S113 PolarHBondContact O-OG 2.96Å; G108-S113 VanDerWaalsContact O-OG 3.12Å; A110-S113 WeakPolarHBondContact O-CB 3.44Å; A110-S113 PolarHBondContact O-N 2.84Å; S113-V115 PolarHBondContact O-N 2.81Å; S113-L116 PolarHBondContact O-N 3.42Å; S113-Q117 WeakPolarHBondContact O-CB 3.43Å; S113-Q117 VanDerWaalsContact O-CG 3.25Å; S113-Q117 WeakPolarHBondContact O-CG 3.31Å; S113-Q117 PolarHBondContact O-N 3.28Å
114R97.4Very high95.3Very high119 Ų11953.6 Ų53.645%0.44929%0.288SS..Hα-helixtrans-55.6-47.6175.9-73.2-162.9-67.4-91-8.5113.3D109 A110 F111 T112 L116 Q117 V118D109-R114 VanDerWaalsContact O-CZ 3.31Å; D109-R114 PolarHBondContact O-NH1 3.02Å; A110-R114 PolarHBondContact O-N 3.26Å; A110-R114 VanDerWaalsContact O-N 3.08Å; F111-R114 PolarHBondContact O-N 2.88Å; T112-R114 PolarHBondContact O-N 2.78Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-L116 PolarHBondContact O-N 3.48Å; R114-Q117 PolarHBondContact O-N 2.86Å; R114-V118 WeakPolarHBondContact O-CB 3.38Å; R114-V118 WeakPolarHBondContact O-CG2 3.35Å; R114-V118 PolarHBondContact O-N 3.11Å
115V98.4Very high95.3Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-60.5-44.7178.9167.90000111.3F111 T112 S113 L119 L134 A138 V147 A150 M151F111-V115 HydrophobicContact CD1-CG2 4.01Å; F111-V115 HydrophobicContact CD2-CG2 4.38Å; F111-V115 HydrophobicContact CE1-CG2 3.57Å; F111-V115 HydrophobicContact CE2-CG2 3.98Å; F111-V115 HydrophobicContact CG-CG2 4.4Å; F111-V115 HydrophobicContact CZ-CG2 3.55Å; F111-V115 VanDerWaalsContact O-CG2 3.27Å; F111-V115 WeakPolarHBondContact O-CG2 3.22Å; F111-V115 PolarHBondContact O-N 3.14Å; T112-V115 PolarHBondContact O-N 2.97Å; S113-V115 PolarHBondContact O-N 2.81Å; V115-L119 VanDerWaalsContact O-CB 3.3Å; V115-L119 WeakPolarHBondContact O-CB 3.2Å; V115-L119 PolarHBondContact O-N 2.89Å; V115-L134 HydrophobicContact CG1-CD2 3.97Å; V115-L134 HydrophobicContact CG1-CG 4.18Å; V115-A138 HydrophobicContact CB-CB 4.49Å; V115-A138 HydrophobicContact CG2-CB 3.61Å; V115-V147 HydrophobicContact CG1-CG1 4.01Å; V115-V147 HydrophobicContact CG1-CG2 4.43Å; V115-V147 HydrophobicContact CG2-CG2 4.11Å; V115-A150 HydrophobicContact CB-CB 4.04Å; V115-A150 HydrophobicContact CG1-CB 3.8Å; V115-M151 HydrophobicContact CG1-CE 3.54Å
116L98.4Very high95.3Very high0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-66.7-39.9180-66.2175.8000111.7L106 T112 S113 R114 L119 L120 M151 N154 I160L106-L116 HydrophobicContact CD2-CB 4.07Å; L106-L116 HydrophobicContact CD2-CD1 3.69Å; T112-L116 HydrophobicContact CG2-CD1 3.95Å; T112-L116 HydrophobicContact CG2-CG 4.45Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.39Å; T112-L116 PolarHBondContact O-N 2.81Å; S113-L116 PolarHBondContact O-N 3.42Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-L116 PolarHBondContact O-N 3.48Å; L116-L119 PolarHBondContact O-N 2.91Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 PolarHBondContact O-N 3.38Å; L116-M151 HydrophobicContact CD2-CE 3.83Å; L116-N154 HydrophobicContact CD2-CB 3.77Å; L116-I160 HydrophobicContact CB-CD1 4.19Å; L116-I160 HydrophobicContact CB-CG2 4.27Å; L116-I160 HydrophobicContact CD2-CG2 3.93Å
117Q97.7Very high95.3Very high78 Ų7855.4 Ų55.436%0.36429%0.291SS..Hα-helixtrans-67-43.9176.5-68.7-68.1-6.100112.5S113 R114 L119 L120 R121S113-Q117 WeakPolarHBondContact O-CB 3.43Å; S113-Q117 VanDerWaalsContact O-CG 3.25Å; S113-Q117 WeakPolarHBondContact O-CG 3.31Å; S113-Q117 PolarHBondContact O-N 3.28Å; R114-Q117 PolarHBondContact O-N 2.86Å; Q117-L119 VanDerWaalsContact C-N 3.34Å; Q117-L120 PolarHBondContact O-N 2.73Å; Q117-R121 WeakPolarHBondContact O-CB 3.48Å; Q117-R121 PolarHBondContact O-N 2.75Å
118V98.3Very high95.7Very high15 Ų1553.8 Ų53.89%0.09129%0.287CS..Hα-helixtrans-60.7-45.7174.3167.50000110.5R114 L120 R121 D122 L134 M137R114-V118 WeakPolarHBondContact O-CB 3.38Å; R114-V118 WeakPolarHBondContact O-CG2 3.35Å; R114-V118 PolarHBondContact O-N 3.11Å; V118-L120 PolarHBondContact O-N 3.45Å; V118-R121 PolarHBondContact O-N 3.21Å; V118-D122 WeakPolarHBondContact O-CB 3.47Å; V118-D122 PolarHBondContact O-N 3.28Å; V118-L134 HydrophobicContact CB-CD1 4.38Å; V118-L134 HydrophobicContact CG1-CD1 3.74Å; V118-M137 HydrophobicContact CG1-CB 3.61Å; V118-M137 HydrophobicContact CG1-CE 3.89Å
119L98.4Very high96.2Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-59.7-46.3178176.561.7000112.1V115 L116 Q117 V123 V129 L134 M151 I160 P161 C162 V165V115-L119 VanDerWaalsContact O-CB 3.3Å; V115-L119 WeakPolarHBondContact O-CB 3.2Å; V115-L119 PolarHBondContact O-N 2.89Å; L116-L119 PolarHBondContact O-N 2.91Å; Q117-L119 VanDerWaalsContact C-N 3.34Å; L119-V123 HydrophobicContact CD1-CB 3.87Å; L119-V123 HydrophobicContact CD1-CG1 4.38Å; L119-V123 HydrophobicContact CD1-CG2 3.69Å; L119-V123 PolarHBondContact O-N 2.82Å; L119-V129 HydrophobicContact CD1-CG1 4.24Å; L119-L134 HydrophobicContact CB-CD1 4.23Å; L119-L134 HydrophobicContact CB-CD2 4.28Å; L119-L134 HydrophobicContact CD1-CD2 4.28Å; L119-M151 HydrophobicContact CD2-CE 3.76Å; L119-M151 HydrophobicContact CD2-SD 3.61Å; L119-I160 HydrophobicContact CD2-CG2 3.97Å; L119-I160 HydrophobicContact CG-CG2 4.37Å; L119-P161 HydrophobicContact CD1-CG 4.17Å; L119-P161 HydrophobicContact CG-CG 4.06Å; L119-C162 HydrophobicContact CD2-CB 4.28Å; L119-V165 HydrophobicContact CD1-CG2 3.61Å; L119-V165 HydrophobicContact CD2-CG2 3.82Å; L119-V165 HydrophobicContact CG-CG2 4.38Å
120L97.3Very high96.6Very high31 Ų3146.3 Ų46.316%0.16223%0.234CC..Hα-helixtrans-60.7-46177.3178.563.8000112.3L98 F101 L116 Q117 V118 L159 I160L98-L120 HydrophobicContact CD1-CD1 3.83Å; L98-L120 HydrophobicContact CD1-CD2 4.29Å; L98-L120 HydrophobicContact CD1-CG 4.26Å; F101-L120 HydrophobicContact CE2-CD2 3.65Å; F101-L120 HydrophobicContact CZ-CD2 4.36Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 PolarHBondContact O-N 3.38Å; Q117-L120 PolarHBondContact O-N 2.73Å; V118-L120 PolarHBondContact O-N 3.45Å; L120-L159 WeakPolarHBondContact CD1-O 3.37Å; L120-I160 HydrophobicContact CB-CG1 4.21Å; L120-I160 HydrophobicContact CD1-CG1 4.14Å; L120-I160 HydrophobicContact CD2-CG1 4.31Å; L120-I160 HydrophobicContact CG-CG1 4.46Å
121R96.3Very high96.7Very high156 Ų15645.5 Ų45.559%0.58922%0.219SC*.Hα-helixtrans-73.8-39.1-174-172.6-171.765.2-157.5-7.1112.4Q117 V118 K124Q117-R121 WeakPolarHBondContact O-CB 3.48Å; Q117-R121 PolarHBondContact O-N 2.75Å; V118-R121 PolarHBondContact O-N 3.21Å; R121-K124 WeakPolarHBondContact O-CE 3.5Å; R121-K124 PolarHBondContact O-NZ 2.91Å
122D97.3Very high96.8Very high57 Ų5749 Ų4931%0.30523%0.234SC..Hα-helixtrans-111.6-12.6-161.1-59.9-28000114.7V118 M137V118-D122 WeakPolarHBondContact O-CB 3.47Å; V118-D122 PolarHBondContact O-N 3.28Å; D122-M137 HydrophobicContact CB-CE 3.45Å; D122-M137 VanDerWaalsContact CB-CE 3.45Å
123V96.9Very high96.9Very high5 Ų554 Ų543%0.0325%0.251CS..  trans-113.6102.1-177.8-170.90000110L119 E127 V129 R164L119-V123 HydrophobicContact CD1-CB 3.87Å; L119-V123 HydrophobicContact CD1-CG1 4.38Å; L119-V123 HydrophobicContact CD1-CG2 3.69Å; L119-V123 PolarHBondContact O-N 2.82Å; V123-E127 HydrophobicContact CG1-CB 4.21Å; V123-V129 HydrophobicContact CG1-CB 4.43Å; V123-V129 HydrophobicContact CG1-CG1 4.32Å; V123-V129 HydrophobicContact CG2-CB 3.99Å; V123-V129 HydrophobicContact CG2-CG1 3.77Å; V123-R164 HydrophobicContact CG1-CB 3.88Å; V123-R164 HydrophobicContact CG1-CG 4.49Å; V123-R164 PolarHBondContact O-NH1 3.1Å
124K93.4Very high96.9Very high115 Ų11553.8 Ų53.850%0.525%0.249SC..  trans-84.7172.8-170.5-53.4-57.5177-179.10112.6R121 G126 E127 R164R121-K124 WeakPolarHBondContact O-CE 3.5Å; R121-K124 PolarHBondContact O-NZ 2.91Å; K124-G126 PolarHBondContact O-N 3.07Å; K124-E127 HydrophobicContact CB-CG 4.22Å; K124-E127 WeakPolarHBondContact CB-OE2 3.39Å; K124-E127 PolarHBondContact N-OE2 2.9Å; K124-E127 WeakPolarHBondContact O-CB 3.27Å; K124-E127 PolarHBondContact O-N 2.73Å; K124-E127 VanDerWaalsContact O-N 3.11Å; K124-R164 VanDerWaalsContact O-CD 3.31Å; K124-R164 WeakPolarHBondContact O-CD 3.33Å; K124-R164 PolarHBondContact O-NE 2.75Å; K124-R164 PolarHBondContact O-NH1 3.42Å
125F92.9Very high97Very high45 Ų4548.1 Ų48.120%0.19723%0.227CC..THydrogen-bonded Turntrans-57.7132.9177.9-172.1-82.7000110.5Y86 P90 E127 E191Y86-F125 HydrophobicContact CD2-CD2 4.27Å; Y86-F125 AromaticContact CD2-CE2 3.93Å; Y86-F125 HydrophobicContact CD2-CE2 3.93Å; Y86-F125 AromaticContact CE2-CD2 3.98Å; Y86-F125 HydrophobicContact CE2-CD2 3.98Å; Y86-F125 AromaticContact CE2-CE2 3.64Å; Y86-F125 HydrophobicContact CE2-CE2 3.64Å; P90-F125 HydrophobicContact CB-CE1 4.1Å; P90-F125 HydrophobicContact CB-CE2 3.84Å; P90-F125 HydrophobicContact CB-CZ 3.35Å; P90-F125 HydrophobicContact CG-CZ 4.48Å; F125-E127 PolarHBondContact O-N 3.19Å; F125-E191 HydrophobicContact CD1-CB 4.23Å; F125-E191 HydrophobicContact CD1-CG 4.46Å; F125-E191 HydrophobicContact CD2-CG 3.95Å; F125-E191 HydrophobicContact CE1-CB 3.85Å; F125-E191 HydrophobicContact CE1-CG 4.12Å; F125-E191 WeakPolarHBondContact CE1-O 3.19Å; F125-E191 HydrophobicContact CE2-CB 4.25Å; F125-E191 HydrophobicContact CE2-CG 3.58Å; F125-E191 HydrophobicContact CG-CG 4.38Å; F125-E191 HydrophobicContact CZ-CB 3.85Å; F125-E191 HydrophobicContact CZ-CG 3.66Å
126G92.2Very high97Very high31 Ų3151.1 Ų51.132%0.3224%0.241SC..THydrogen-bonded Turntrans82.1-14.9-177.100000114.4K124 E191K124-G126 PolarHBondContact O-N 3.07Å; G126-E191 PolarHBondContact N-OE2 3.09Å
127E94.8Very high97Very high96 Ų9653.9 Ų53.945%0.44926%0.255SS..  trans-85.6158178.1-59-175.4149.400112.2V123 K124 F125 R164V123-E127 HydrophobicContact CG1-CB 4.21Å; K124-E127 HydrophobicContact CB-CG 4.22Å; K124-E127 WeakPolarHBondContact CB-OE2 3.39Å; K124-E127 PolarHBondContact N-OE2 2.9Å; K124-E127 WeakPolarHBondContact O-CB 3.27Å; K124-E127 PolarHBondContact O-N 2.73Å; K124-E127 VanDerWaalsContact O-N 3.11Å; F125-E127 PolarHBondContact O-N 3.19Å; E127-R164 WeakPolarHBondContact O-CB 3.27Å; E127-R164 WeakPolarHBondContact O-CD 2.99Å; E127-R164 WeakPolarHBondContact O-CG 3.4Å
128T97.4Very high97Very high59 Ų5950.7 Ų50.736%0.36224%0.242SC..  trans-133.6153.117158.90000110.7R164 I166 L188T128-R164 WeakPolarHBondContact CA-O 3.29Å; T128-R164 WeakPolarHBondContact CB-O 3.39Å; T128-I166 HydrophobicContact CG2-CD1 4.31Å; T128-I166 HydrophobicContact CG2-CG2 4.48Å; T128-L188 HydrophobicContact CG2-CD2 3.63Å
129V98.2Very high96.9Very high13 Ų1353 Ų538%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-131.7143.7177.269.60000109.9L119 V123 R133 L134 M137 R164 V165 I166L119-V129 HydrophobicContact CD1-CG1 4.24Å; V123-V129 HydrophobicContact CG1-CB 4.43Å; V123-V129 HydrophobicContact CG1-CG1 4.32Å; V123-V129 HydrophobicContact CG2-CB 3.99Å; V123-V129 HydrophobicContact CG2-CG1 3.77Å; V129-R133 HydrophobicContact CG2-CB 3.8Å; V129-R133 HydrophobicContact CG2-CG 3.79Å; V129-L134 HydrophobicContact CG1-CB 4.22Å; V129-L134 HydrophobicContact CG1-CD2 4.41Å; V129-L134 HydrophobicContact CG2-CB 4.22Å; V129-M137 HydrophobicContact CG2-SD 4.02Å; V129-R164 PolarHBondContact N-O 3.47Å; V129-V165 HydrophobicContact CG1-CB 4.45Å; V129-V165 HydrophobicContact CG1-CG1 4.47Å; V129-V165 HydrophobicContact CG1-CG2 3.92Å; V129-V165 CarbonylContact O-C 3.48Å; V129-V165 VanDerWaalsContact O-CA 3.29Å; V129-V165 WeakPolarHBondContact O-CA 3.3Å; V129-I166 PolarHBondContact O-N 3.41Å
130S98.3Very high96.9Very high27 Ų2756.4 Ų56.419%0.18929%0.287CS..EExtended strand (participates in β ladder)trans-77.7151.2173.673.10000111.6K132 R133 L134 I166S130-K132 PolarHBondContact O-N 2.85Å; S130-R133 PolarHBondContact O-N 2.94Å; S130-R133 VanDerWaalsContact O-N 3.07Å; S130-R133 VanDerWaalsContact OG-CB 3.31Å; S130-R133 WeakPolarHBondContact OG-CB 3.36Å; S130-R133 PolarHBondContact OG-N 3.18Å; S130-L134 PolarHBondContact O-N 2.84Å; S130-I166 VanDerWaalsContact CA-O 3.27Å; S130-I166 WeakPolarHBondContact CA-O 3.46Å
131Y97.9Very high96.9Very high39 Ų3958.5 Ų58.515%0.15330%0.303CS..Hα-helixtrans-52.6-37.7171.8-69.6-83.7000112.8A135 V147 M151 V165 I166Y131-A135 WeakPolarHBondContact O-CB 3.45Å; Y131-A135 PolarHBondContact O-N 2.69Å; Y131-V147 HydrophobicContact CD1-CB 4.45Å; Y131-V147 HydrophobicContact CD1-CG1 3.89Å; Y131-M151 HydrophobicContact CE1-CG 4.04Å; Y131-V165 HydrophobicContact CD1-CG1 3.49Å; Y131-V165 VanDerWaalsContact CD1-CG1 3.49Å; Y131-V165 HydrophobicContact CD2-CG1 4.15Å; Y131-V165 HydrophobicContact CE1-CB 4.37Å; Y131-V165 HydrophobicContact CE1-CG1 3.55Å; Y131-V165 HydrophobicContact CE2-CG1 4.2Å; Y131-V165 HydrophobicContact CG-CG1 3.79Å; Y131-I166 WeakPolarHBondContact CD2-O 3.26Å; Y131-I166 PolarHBondContact N-O 3.07Å; Y131-I166 VanDerWaalsContact N-O 3.11Å
132K97.6Very high97Very high112 Ų11262.4 Ų62.449%0.48732%0.318SS..Hα-helixtrans-64.2-49.6177-175.8-173.1174-1710110.7S130 L134 A135 E136 V144S130-K132 PolarHBondContact O-N 2.85Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-L134 PolarHBondContact O-N 3.09Å; K132-A135 WeakPolarHBondContact O-CB 3.39Å; K132-A135 PolarHBondContact O-N 3.06Å; K132-E136 WeakPolarHBondContact CE-OE1 3.47Å; K132-E136 PolarHBondContact O-N 2.97Å; K132-E136 VanDerWaalsContact O-N 3.09Å; K132-V144 HydrophobicContact CB-CG2 4.43Å
133R98.3Very high97Very high131 Ų13160.3 Ų60.349%0.49431%0.308SS..Hα-helixtrans-64.9-40.6-178.6-177.956-177.7162.81.8111.8V129 S130 A135 E136 M137V129-R133 HydrophobicContact CG2-CB 3.8Å; V129-R133 HydrophobicContact CG2-CG 3.79Å; S130-R133 PolarHBondContact O-N 2.94Å; S130-R133 VanDerWaalsContact O-N 3.07Å; S130-R133 VanDerWaalsContact OG-CB 3.31Å; S130-R133 WeakPolarHBondContact OG-CB 3.36Å; S130-R133 PolarHBondContact OG-N 3.18Å; R133-A135 VanDerWaalsContact C-N 3.29Å; R133-A135 PolarHBondContact O-N 3.44Å; R133-E136 VanDerWaalsContact CD-OE2 3.31Å; R133-E136 WeakPolarHBondContact CD-OE2 3.44Å; R133-E136 IonicContact CZ-OE2 3.88Å; R133-E136 IonicContact NH1-OE2 2.91Å; R133-E136 PolarHBondContact NH1-OE2 3.12Å; R133-E136 WeakPolarHBondContact O-CB 3.38Å; R133-E136 PolarHBondContact O-N 3.02Å; R133-M137 HydrophobicContact CG-CG 4.43Å; R133-M137 HydrophobicContact CG-SD 3.92Å; R133-M137 VanDerWaalsContact O-CG 3.27Å; R133-M137 WeakPolarHBondContact O-CG 3.43Å; R133-M137 PolarHBondContact O-N 3.27Å
134L98.6Very high97Very high0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-64.5-34.9175.7-175.456.9000112.1V115 V118 L119 V129 S130 K132 M137 A138 V147 M151 V165V115-L134 HydrophobicContact CG1-CD2 3.97Å; V115-L134 HydrophobicContact CG1-CG 4.18Å; V118-L134 HydrophobicContact CB-CD1 4.38Å; V118-L134 HydrophobicContact CG1-CD1 3.74Å; L119-L134 HydrophobicContact CB-CD1 4.23Å; L119-L134 HydrophobicContact CB-CD2 4.28Å; L119-L134 HydrophobicContact CD1-CD2 4.28Å; V129-L134 HydrophobicContact CG1-CB 4.22Å; V129-L134 HydrophobicContact CG1-CD2 4.41Å; V129-L134 HydrophobicContact CG2-CB 4.22Å; S130-L134 PolarHBondContact O-N 2.84Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-L134 PolarHBondContact O-N 3.09Å; L134-M137 PolarHBondContact O-N 2.98Å; L134-A138 VanDerWaalsContact O-CB 3.28Å; L134-A138 WeakPolarHBondContact O-CB 3.48Å; L134-A138 PolarHBondContact O-N 2.95Å; L134-V147 HydrophobicContact CB-CG1 4.27Å; L134-V147 HydrophobicContact CD2-CG1 3.7Å; L134-V147 HydrophobicContact CG-CG1 4.05Å; L134-M151 HydrophobicContact CD2-CE 4.12Å; L134-V165 HydrophobicContact CD2-CG1 4.13Å; L134-V165 HydrophobicContact CD2-CG2 3.66Å
135A98.4Very high97.1Very high0 Ų068.1 Ų68.10%034%0.34CS..Hα-helixtrans-63.7-41.3173.600000111.9Y131 K132 R133 A138 G139 N140 V144 V147Y131-A135 WeakPolarHBondContact O-CB 3.45Å; Y131-A135 PolarHBondContact O-N 2.69Å; K132-A135 WeakPolarHBondContact O-CB 3.39Å; K132-A135 PolarHBondContact O-N 3.06Å; R133-A135 VanDerWaalsContact C-N 3.29Å; R133-A135 PolarHBondContact O-N 3.44Å; A135-A138 PolarHBondContact O-N 3.27Å; A135-G139 PolarHBondContact O-N 3.31Å; A135-N140 CarbonylContact C-O 3.56Å; A135-N140 WeakPolarHBondContact CB-O 3.31Å; A135-N140 CarbonylContact O-C 3.54Å; A135-N140 PolarHBondContact O-N 3.2Å; A135-N140 VanDerWaalsContact O-O 3.14Å; A135-V144 HydrophobicContact CB-CG2 4.33Å; A135-V147 HydrophobicContact CB-CG2 3.68Å
136E98.3Very high97.3Very high63 Ų6368 Ų6829%0.29435%0.347SS..Hα-helixtrans-62.6-48.7173.6-66.5165.4-17300111.6K132 R133 A138 G139 P141K132-E136 WeakPolarHBondContact CE-OE1 3.47Å; K132-E136 PolarHBondContact O-N 2.97Å; K132-E136 VanDerWaalsContact O-N 3.09Å; R133-E136 VanDerWaalsContact CD-OE2 3.31Å; R133-E136 WeakPolarHBondContact CD-OE2 3.44Å; R133-E136 IonicContact CZ-OE2 3.88Å; R133-E136 IonicContact NH1-OE2 2.91Å; R133-E136 PolarHBondContact NH1-OE2 3.12Å; R133-E136 WeakPolarHBondContact O-CB 3.38Å; R133-E136 PolarHBondContact O-N 3.02Å; E136-A138 PolarHBondContact O-N 3.01Å; E136-G139 PolarHBondContact O-N 3.44Å; E136-P141 HydrophobicContact CB-CG 4.46Å; E136-P141 HydrophobicContact CG-CB 3.79Å; E136-P141 HydrophobicContact CG-CG 3.96Å
137M98.2Very high97.6Very high59 Ų5966.6 Ų66.629%0.29133%0.332SS..Hα-helixtrans-61.6-34178.7-66164.666.600112.2V118 D122 V129 R133 L134 G139V118-M137 HydrophobicContact CG1-CB 3.61Å; V118-M137 HydrophobicContact CG1-CE 3.89Å; D122-M137 HydrophobicContact CB-CE 3.45Å; D122-M137 VanDerWaalsContact CB-CE 3.45Å; V129-M137 HydrophobicContact CG2-SD 4.02Å; R133-M137 HydrophobicContact CG-CG 4.43Å; R133-M137 HydrophobicContact CG-SD 3.92Å; R133-M137 VanDerWaalsContact O-CG 3.27Å; R133-M137 WeakPolarHBondContact O-CG 3.43Å; R133-M137 PolarHBondContact O-N 3.27Å; L134-M137 PolarHBondContact O-N 2.98Å; M137-G139 PolarHBondContact O-N 3.43Å
138A97.9Very high97.7Very high10 Ų1062.8 Ų62.88%0.08332%0.319CS..THydrogen-bonded Turntrans-80.75.5175.100000114F111 V115 L134 A135 E136F111-A138 HydrophobicContact CE2-CB 3.89Å; F111-A138 HydrophobicContact CZ-CB 4.19Å; V115-A138 HydrophobicContact CB-CB 4.49Å; V115-A138 HydrophobicContact CG2-CB 3.61Å; L134-A138 VanDerWaalsContact O-CB 3.28Å; L134-A138 WeakPolarHBondContact O-CB 3.48Å; L134-A138 PolarHBondContact O-N 2.95Å; A135-A138 PolarHBondContact O-N 3.27Å; E136-A138 PolarHBondContact O-N 3.01Å
139G97.5Very high97.6Very high65 Ų6560.2 Ų60.267%0.6730%0.304SS*.THydrogen-bonded Turntrans84.910.9173.100000115.5A135 E136 M137A135-G139 PolarHBondContact O-N 3.31Å; E136-G139 PolarHBondContact O-N 3.44Å; M137-G139 PolarHBondContact O-N 3.43Å
140N97.5Very high97.5Very high70 Ų7059.6 Ų59.637%0.37430%0.3SS..  trans-141.287.5174-169.9-18.8000111.9F111 A135 R142 A143F111-N140 HydrophobicContact CE2-CB 3.82Å; F111-N140 HydrophobicContact CZ-CB 4.19Å; A135-N140 CarbonylContact C-O 3.56Å; A135-N140 WeakPolarHBondContact CB-O 3.31Å; A135-N140 CarbonylContact O-C 3.54Å; A135-N140 PolarHBondContact O-N 3.2Å; A135-N140 VanDerWaalsContact O-O 3.14Å; N140-R142 PolarHBondContact O-N 3.45Å; N140-R142 PolarHBondContact OD1-N 2.9Å; N140-A143 HydrophobicContact CB-CB 3.8Å; N140-A143 WeakPolarHBondContact O-CB 3.31Å; N140-A143 PolarHBondContact O-N 2.82Å; N140-A143 PolarHBondContact OD1-N 2.77Å
141P97.1Very high97.5Very high76 Ų7659.2 Ų59.249%0.49430%0.296SS..THydrogen-bonded Turntrans-56.3-23.9-179.2-26.534.5000115E136E136-P141 HydrophobicContact CB-CG 4.46Å; E136-P141 HydrophobicContact CG-CB 3.79Å; E136-P141 HydrophobicContact CG-CG 3.96Å
142R97.5Very high97.3Very high238 Ų23865.2 Ų65.290%0.89832%0.318SS*.THydrogen-bonded Turntrans-86.8-6.9-179.6-62.9-176.5-178.3167.91.1113.1N140 V144N140-R142 PolarHBondContact O-N 3.45Å; N140-R142 PolarHBondContact OD1-N 2.9Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V144 PolarHBondContact O-N 2.87Å
143A97.4Very high97.2Very high12 Ų1265.8 Ų65.810%0.09932%0.317CS..  trans-92.427.6-171.500000114.8F111 N140 R145 A146 V147F111-A143 HydrophobicContact CE1-CB 3.64Å; F111-A143 HydrophobicContact CE2-CB 4.38Å; F111-A143 HydrophobicContact CZ-CB 3.53Å; N140-A143 HydrophobicContact CB-CB 3.8Å; N140-A143 WeakPolarHBondContact O-CB 3.31Å; N140-A143 PolarHBondContact O-N 2.82Å; N140-A143 PolarHBondContact OD1-N 2.77Å; A143-R145 VanDerWaalsContact C-N 3.3Å; A143-R145 PolarHBondContact O-N 3.15Å; A143-A146 HydrophobicContact CB-CB 4.19Å; A143-A146 WeakPolarHBondContact O-CA 3.41Å; A143-A146 WeakPolarHBondContact O-CB 3.45Å; A143-A146 PolarHBondContact O-N 2.98Å; A143-V147 PolarHBondContact O-N 3.37Å
144V97.1Very high97.2Very high57 Ų5760.3 Ų60.335%0.34530%0.298SS..Hα-helixtrans-52.4-44.1-177.3-1740000112.6K132 A135 R142 A146 V147 G148K132-V144 HydrophobicContact CB-CG2 4.43Å; A135-V144 HydrophobicContact CB-CG2 4.33Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V144 PolarHBondContact O-N 2.87Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 3.29Å; V144-V147 WeakPolarHBondContact O-CB 3.22Å; V144-V147 PolarHBondContact O-N 3.37Å; V144-G148 PolarHBondContact O-N 3.48Å
145R96.3Very high97.2Very high228 Ų22861 Ų6186%0.8630%0.302SS*.Hα-helixtrans-64.4-36.8177.3-172177.6-176.8-173.81.2112.3A143 V147 G148 G149A143-R145 VanDerWaalsContact C-N 3.3Å; A143-R145 PolarHBondContact O-N 3.15Å; R145-V147 VanDerWaalsContact C-N 3.35Å; R145-G148 PolarHBondContact O-N 3.32Å; R145-G149 PolarHBondContact O-N 3.26Å; R145-G149 VanDerWaalsContact O-N 3.13Å
146A97.4Very high97.1Very high43 Ų4361 Ų6136%0.35530%0.302SS..Hα-helixtrans-70.1-33.1178.300000111.7F111 A143 V144 G149 A150F111-A146 HydrophobicContact CD1-CB 3.95Å; F111-A146 HydrophobicContact CE1-CB 3.79Å; A143-A146 HydrophobicContact CB-CB 4.19Å; A143-A146 WeakPolarHBondContact O-CA 3.41Å; A143-A146 WeakPolarHBondContact O-CB 3.45Å; A143-A146 PolarHBondContact O-N 2.98Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 3.29Å; A146-G149 CarbonylContact O-C 3.46Å; A146-G149 WeakPolarHBondContact O-CA 3.45Å; A146-G149 PolarHBondContact O-N 3.31Å; A146-G149 VanDerWaalsContact O-N 3.15Å; A146-A150 PolarHBondContact O-N 3.11Å
147V97.9Very high97.1Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-59.4-47169.9177.40000110.6F111 V115 Y131 L134 A135 A143 V144 R145 G149 A150 M151F111-V147 HydrophobicContact CE1-CG2 4.23Å; F111-V147 HydrophobicContact CZ-CG2 4.27Å; V115-V147 HydrophobicContact CG1-CG1 4.01Å; V115-V147 HydrophobicContact CG1-CG2 4.43Å; V115-V147 HydrophobicContact CG2-CG2 4.11Å; Y131-V147 HydrophobicContact CD1-CB 4.45Å; Y131-V147 HydrophobicContact CD1-CG1 3.89Å; L134-V147 HydrophobicContact CB-CG1 4.27Å; L134-V147 HydrophobicContact CD2-CG1 3.7Å; L134-V147 HydrophobicContact CG-CG1 4.05Å; A135-V147 HydrophobicContact CB-CG2 3.68Å; A143-V147 PolarHBondContact O-N 3.37Å; V144-V147 WeakPolarHBondContact O-CB 3.22Å; V144-V147 PolarHBondContact O-N 3.37Å; R145-V147 VanDerWaalsContact C-N 3.35Å; V147-G149 PolarHBondContact O-N 3.11Å; V147-A150 WeakPolarHBondContact O-CA 3.31Å; V147-A150 WeakPolarHBondContact O-CB 3.33Å; V147-A150 PolarHBondContact O-N 3.33Å; V147-M151 WeakPolarHBondContact O-CG 3.31Å; V147-M151 PolarHBondContact O-N 2.61Å
148G96Very high97Very high16 Ų1656 Ų5617%0.16528%0.279CS..Hα-helixtrans-58.5-35.4174.400000113.2V144 R145 R152V144-G148 PolarHBondContact O-N 3.48Å; R145-G148 PolarHBondContact O-N 3.32Å; G148-R152 PolarHBondContact O-N 3.29Å
149G96Very high96.9Very high5 Ų555.7 Ų55.75%0.05228%0.277CS..Hα-helixtrans-66.2-39.2170.800000113.5R145 A146 V147 R152 R153R145-G149 PolarHBondContact O-N 3.26Å; R145-G149 VanDerWaalsContact O-N 3.13Å; A146-G149 CarbonylContact O-C 3.46Å; A146-G149 WeakPolarHBondContact O-CA 3.45Å; A146-G149 PolarHBondContact O-N 3.31Å; A146-G149 VanDerWaalsContact O-N 3.15Å; V147-G149 PolarHBondContact O-N 3.11Å; G149-R152 PolarHBondContact O-N 3.05Å; G149-R153 VanDerWaalsContact O-CZ 3.26Å; G149-R153 PolarHBondContact O-N 3.34Å; G149-R153 PolarHBondContact O-NH1 2.92Å
150A96.9Very high97Very high0 Ų052.6 Ų52.60%025%0.245CC..Hα-helixtrans-64.7-42.1176.600000111.6T112 V115 A146 V147 R152 R153 N154T112-A150 HydrophobicContact CG2-CB 3.93Å; V115-A150 HydrophobicContact CB-CB 4.04Å; V115-A150 HydrophobicContact CG1-CB 3.8Å; A146-A150 PolarHBondContact O-N 3.11Å; V147-A150 WeakPolarHBondContact O-CA 3.31Å; V147-A150 WeakPolarHBondContact O-CB 3.33Å; V147-A150 PolarHBondContact O-N 3.33Å; A150-R152 VanDerWaalsContact C-N 3.27Å; A150-R152 PolarHBondContact O-N 2.98Å; A150-R153 CarbonylContact O-C 3.6Å; A150-R153 PolarHBondContact O-N 3.32Å; A150-N154 PolarHBondContact O-N 3.25Å; A150-N154 VanDerWaalsContact O-N 3.11Å
151M97.2Very high97Very high20 Ų2049.4 Ų49.410%0.09923%0.227CC..Hα-helixtrans-58.7-38.6176.3-63-54.596.300112.4V115 L116 L119 Y131 L134 V147 R153 N154 C162 V165V115-M151 HydrophobicContact CG1-CE 3.54Å; L116-M151 HydrophobicContact CD2-CE 3.83Å; L119-M151 HydrophobicContact CD2-CE 3.76Å; L119-M151 HydrophobicContact CD2-SD 3.61Å; Y131-M151 HydrophobicContact CE1-CG 4.04Å; L134-M151 HydrophobicContact CD2-CE 4.12Å; V147-M151 WeakPolarHBondContact O-CG 3.31Å; V147-M151 PolarHBondContact O-N 2.61Å; M151-R153 VanDerWaalsContact C-N 3.27Å; M151-R153 PolarHBondContact O-N 3.31Å; M151-N154 WeakPolarHBondContact O-CB 3.35Å; M151-N154 PolarHBondContact O-N 3.05Å; M151-C162 HydrophobicContact CB-CB 4.3Å; M151-C162 HydrophobicContact CG-CB 4.44Å; M151-C162 HydrophobicContact SD-CB 3.5Å; M151-C162 VanDerWaalsContact SD-CB 3.5Å; M151-V165 HydrophobicContact CG-CB 4.43Å; M151-V165 HydrophobicContact CG-CG2 4.47Å; M151-V165 HydrophobicContact SD-CB 4.09Å; M151-V165 HydrophobicContact SD-CG2 3.54Å; M151-V165 VanDerWaalsContact SD-CG2 3.54Å
152R94.8Very high97Very high165 Ų16546 Ų4662%0.62321%0.206SC*.Hα-helixtrans-69.9-21.2175.5-78.3-173.8-103.3111.7-4114.1G148 G149 A150G148-R152 PolarHBondContact O-N 3.29Å; G149-R152 PolarHBondContact O-N 3.05Å; A150-R152 VanDerWaalsContact C-N 3.27Å; A150-R152 PolarHBondContact O-N 2.98Å
153R95.4Very high97Very high123 Ų12334.7 Ų34.746%0.46416%0.163SC..THydrogen-bonded Turntrans-102.67.5179.7-68.5-173.6-62.3-89.5-2.9112.9T112 G149 A150 M151 P155T112-R153 HydrophobicContact CG2-CB 4.35Å; T112-R153 PolarHBondContact OG1-NE 3.1Å; T112-R153 PolarHBondContact OG1-NH2 2.83Å; G149-R153 VanDerWaalsContact O-CZ 3.26Å; G149-R153 PolarHBondContact O-N 3.34Å; G149-R153 PolarHBondContact O-NH1 2.92Å; A150-R153 CarbonylContact O-C 3.6Å; A150-R153 PolarHBondContact O-N 3.32Å; M151-R153 VanDerWaalsContact C-N 3.27Å; M151-R153 PolarHBondContact O-N 3.31Å; R153-P155 WeakPolarHBondContact O-CD 3.47Å
154N97.5Very high97Very high17 Ų1734.9 Ų34.99%0.09116%0.161CC..  trans-63.8113.6174.9179.912.4000109.1L116 A150 M151 V156 I160 C162L116-N154 HydrophobicContact CD2-CB 3.77Å; A150-N154 PolarHBondContact O-N 3.25Å; A150-N154 VanDerWaalsContact O-N 3.11Å; M151-N154 WeakPolarHBondContact O-CB 3.35Å; M151-N154 PolarHBondContact O-N 3.05Å; N154-V156 VanDerWaalsContact C-N 3.31Å; N154-V156 PolarHBondContact OD1-N 3.47Å; N154-V156 VanDerWaalsContact OD1-N 3.1Å; N154-I160 PolarHBondContact ND2-O 3.17Å; N154-C162 HydrophobicContact CB-CB 4.48Å; N154-C162 PolarHBondContact ND2-SG 3.44Å
155P97.9Very high97Very high13 Ų1332.2 Ų32.28%0.08415%0.145CC..SBendtrans-78.7-17.9-177.934.1-36000112.6T43 I44 H103 L106 R153 P157T43-P155 CarbonylContact C-O 3.58Å; T43-P155 WeakPolarHBondContact CA-O 3.3Å; T43-P155 HydrophobicContact CG2-CB 4.4Å; I44-P155 PolarHBondContact N-O 3.43Å; H103-P155 HydrophobicContact CB-CB 4.33Å; H103-P155 HydrophobicContact CB-CG 4Å; L106-P155 HydrophobicContact CD1-CG 3.8Å; L106-P155 HydrophobicContact CD2-CG 4.22Å; L106-P155 HydrophobicContact CG-CG 3.82Å; R153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-P157 VanDerWaalsContact C-CD 3.46Å; P155-P157 WeakPolarHBondContact O-CD 3.45Å
156V98.2Very high97.1Very high0 Ų022.1 Ų22.10%011%0.108CC..SBendtrans-128.264.8-174-67.30000110.6V41 I44 F101 L106 N154 I160V41-V156 HydrophobicContact CG1-CG1 3.91Å; I44-V156 HydrophobicContact CD1-CB 4.19Å; I44-V156 HydrophobicContact CG1-CB 4.29Å; I44-V156 HydrophobicContact CG1-CG1 4.27Å; F101-V156 HydrophobicContact CD1-CG1 4.34Å; F101-V156 HydrophobicContact CD1-CG2 4.17Å; F101-V156 HydrophobicContact CE1-CB 4.41Å; F101-V156 HydrophobicContact CE1-CG1 4.45Å; F101-V156 HydrophobicContact CE1-CG2 3.93Å; F101-V156 HydrophobicContact CZ-CG2 4.42Å; L106-V156 HydrophobicContact CD1-CG2 3.82Å; N154-V156 VanDerWaalsContact C-N 3.31Å; N154-V156 PolarHBondContact OD1-N 3.47Å; N154-V156 VanDerWaalsContact OD1-N 3.1Å; V156-I160 HydrophobicContact CG2-CB 4.26Å; V156-I160 HydrophobicContact CG2-CD1 3.5Å; V156-I160 VanDerWaalsContact CG2-CD1 3.5Å; V156-I160 HydrophobicContact CG2-CG1 3.71Å; V156-I160 PolarHBondContact O-N 3.07Å
157P97.2Very high97Very high16 Ų1621.5 Ų21.510%0.10410%0.101CC..BIsolated β-bridgetrans-52.9159.5172.526.1-36.7000111.9I44 P155 L159I44-P157 HydrophobicContact CB-CG 4.19Å; I44-P157 WeakPolarHBondContact CD1-O 3.38Å; I44-P157 HydrophobicContact CG2-CG 4.22Å; I44-P157 VanDerWaalsContact O-CD 3.22Å; I44-P157 WeakPolarHBondContact O-CD 3.48Å; I44-P157 VanDerWaalsContact O-CG 3.31Å; I44-P157 WeakPolarHBondContact O-CG 3.37Å; P155-P157 VanDerWaalsContact C-CD 3.46Å; P155-P157 WeakPolarHBondContact O-CD 3.45Å; P157-L159 PolarHBondContact O-N 2.89Å
158L96.1Very high96.8Very high1 Ų125.9 Ų25.91%0.00513%0.132CC..THydrogen-bonded Turntrans72-59-170.1-49.6173.1000113.2L29 I32 I46 W82 L83 Y86 F87 L187L29-L158 HydrophobicContact CD1-CD1 4.13Å; L29-L158 HydrophobicContact CD1-CD2 4.09Å; I32-L158 HydrophobicContact CD1-CD1 3.95Å; I46-L158 HydrophobicContact CD1-CD1 4.39Å; I46-L158 HydrophobicContact CD1-CG 4.4Å; W82-L158 HydrophobicContact CH2-CB 4.48Å; W82-L158 WeakPolarHBondContact CH2-O 3.46Å; W82-L158 HydrophobicContact CZ3-CB 4.05Å; L83-L158 HydrophobicContact CD2-CB 4.34Å; L83-L158 HydrophobicContact CD2-CD1 3.71Å; Y86-L158 HydrophobicContact CE1-CD2 4.21Å; F87-L158 HydrophobicContact CE2-CD1 4.34Å; F87-L158 HydrophobicContact CZ-CD1 3.92Å; L158-L187 HydrophobicContact CD2-CD1 3.77Å; L158-L187 HydrophobicContact CD2-CD2 3.5Å; L158-L187 VanDerWaalsContact CD2-CD2 3.5Å; L158-L187 HydrophobicContact CD2-CG 4.31Å
159L97.1Very high96.6Very high5 Ų529.6 Ų29.63%0.02616%0.155CC..THydrogen-bonded Turntrans-61.5-53.7175.1-76.2177.2000110.7I44 W82 L98 P99 F101 L120 P157 P161I44-L159 HydrophobicContact CD1-CB 4.39Å; I44-L159 HydrophobicContact CD1-CD1 3.65Å; I44-L159 HydrophobicContact CD1-CG 3.87Å; W82-L159 HydrophobicContact CB-CD2 4.25Å; W82-L159 HydrophobicContact CD2-CD2 3.28Å; W82-L159 HydrophobicContact CD2-CG 4.44Å; W82-L159 HydrophobicContact CE3-CD2 3.35Å; W82-L159 HydrophobicContact CE3-CG 4.07Å; W82-L159 HydrophobicContact CG-CD2 3.66Å; W82-L159 HydrophobicContact CH2-CD2 4.29Å; W82-L159 HydrophobicContact CZ2-CD2 4.23Å; W82-L159 HydrophobicContact CZ3-CD2 3.88Å; W82-L159 HydrophobicContact CZ3-CG 4.3Å; L98-L159 HydrophobicContact CD2-CD2 3.75Å; P99-L159 HydrophobicContact CG-CD1 3.7Å; F101-L159 HydrophobicContact CE1-CB 4.46Å; F101-L159 HydrophobicContact CE1-CD1 3.82Å; F101-L159 HydrophobicContact CZ-CB 4.36Å; F101-L159 HydrophobicContact CZ-CD1 4.32Å; L120-L159 WeakPolarHBondContact CD1-O 3.37Å; P157-L159 PolarHBondContact O-N 2.89Å; L159-P161 WeakPolarHBondContact O-CD 3.38Å
160I97.9Very high96.3Very high0 Ų031.8 Ų31.80%018%0.178CC..BIsolated β-bridgetrans-89.5110.4164.1-62177000106.7L106 L116 L119 L120 N154 V156 C162L106-I160 HydrophobicContact CD1-CD1 4.09Å; L106-I160 HydrophobicContact CD2-CD1 3.37Å; L106-I160 HydrophobicContact CG-CD1 4.39Å; L116-I160 HydrophobicContact CB-CD1 4.19Å; L116-I160 HydrophobicContact CB-CG2 4.27Å; L116-I160 HydrophobicContact CD2-CG2 3.93Å; L119-I160 HydrophobicContact CD2-CG2 3.97Å; L119-I160 HydrophobicContact CG-CG2 4.37Å; L120-I160 HydrophobicContact CB-CG1 4.21Å; L120-I160 HydrophobicContact CD1-CG1 4.14Å; L120-I160 HydrophobicContact CD2-CG1 4.31Å; L120-I160 HydrophobicContact CG-CG1 4.46Å; N154-I160 PolarHBondContact ND2-O 3.17Å; V156-I160 HydrophobicContact CG2-CB 4.26Å; V156-I160 HydrophobicContact CG2-CD1 3.5Å; V156-I160 VanDerWaalsContact CG2-CD1 3.5Å; V156-I160 HydrophobicContact CG2-CG1 3.71Å; V156-I160 PolarHBondContact O-N 3.07Å; I160-C162 VanDerWaalsContact C-N 3.28Å; I160-C162 PolarHBondContact O-N 2.71Å
161P97.3Very high96.1Very high2 Ų237.7 Ų37.71%0.01321%0.205CC..  trans-84.563.4-160.635.4-40.3000112.4L119 L159 H163 R164L119-P161 HydrophobicContact CD1-CG 4.17Å; L119-P161 HydrophobicContact CG-CG 4.06Å; L159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-H163 PolarHBondContact O-N 3.11Å; P161-H163 VanDerWaalsContact O-N 3.12Å; P161-R164 HydrophobicContact CB-CB 4.43Å; P161-R164 HydrophobicContact CB-CG 3.91Å; P161-R164 WeakPolarHBondContact O-CB 3.27Å; P161-R164 PolarHBondContact O-N 2.85Å
162C97.4Very high95.8Very high6 Ų637.5 Ų37.54%0.04121%0.206CC..G310 helixtrans-63.3-17.6-178.558.30000113.8L119 M151 N154 I160 R164 V165L119-C162 HydrophobicContact CD2-CB 4.28Å; M151-C162 HydrophobicContact CB-CB 4.3Å; M151-C162 HydrophobicContact CG-CB 4.44Å; M151-C162 HydrophobicContact SD-CB 3.5Å; M151-C162 VanDerWaalsContact SD-CB 3.5Å; N154-C162 HydrophobicContact CB-CB 4.48Å; N154-C162 PolarHBondContact ND2-SG 3.44Å; I160-C162 VanDerWaalsContact C-N 3.28Å; I160-C162 PolarHBondContact O-N 2.71Å; C162-R164 VanDerWaalsContact C-N 3.27Å; C162-R164 PolarHBondContact O-N 3.4Å; C162-V165 PolarHBondContact O-N 2.92Å
163H97.3Very high95.4Very high0 Ų030.6 Ų30.60%019%0.186CC..G310 helixtrans-68.1-22.5170.361.6-76.5000113.3P161 V165 Y175 K184 L187 E191P161-H163 PolarHBondContact O-N 3.11Å; P161-H163 VanDerWaalsContact O-N 3.12Å; H163-V165 VanDerWaalsContact C-N 3.28Å; H163-V165 PolarHBondContact O-N 3.21Å; H163-Y175 HydrophobicContact CB-CE2 4.07Å; H163-K184 HydrophobicContact CB-CG 4.07Å; H163-K184 WeakPolarHBondContact O-CE 3.43Å; H163-L187 HydrophobicContact CB-CB 4.33Å; H163-L187 HydrophobicContact CB-CD1 3.91Å; H163-E191 IonicContact CD2-OE1 3.8Å; H163-E191 IonicContact CE1-OE1 3.56Å; H163-E191 IonicContact NE2-OE1 2.73Å; H163-E191 PolarHBondContact NE2-OE1 2.84Å
164R97.7Very high94.9Very high16 Ų1628.8 Ų28.86%0.0619%0.19CC..G310 helixtrans-77.5-9.6176.3-63.2-179.8-168.11477.4113.9V123 K124 E127 T128 V129 P161 C162 E191V123-R164 HydrophobicContact CG1-CB 3.88Å; V123-R164 HydrophobicContact CG1-CG 4.49Å; V123-R164 PolarHBondContact O-NH1 3.1Å; K124-R164 VanDerWaalsContact O-CD 3.31Å; K124-R164 WeakPolarHBondContact O-CD 3.33Å; K124-R164 PolarHBondContact O-NE 2.75Å; K124-R164 PolarHBondContact O-NH1 3.42Å; E127-R164 WeakPolarHBondContact O-CB 3.27Å; E127-R164 WeakPolarHBondContact O-CD 2.99Å; E127-R164 WeakPolarHBondContact O-CG 3.4Å; T128-R164 WeakPolarHBondContact CA-O 3.29Å; T128-R164 WeakPolarHBondContact CB-O 3.39Å; V129-R164 PolarHBondContact N-O 3.47Å; P161-R164 HydrophobicContact CB-CB 4.43Å; P161-R164 HydrophobicContact CB-CG 3.91Å; P161-R164 WeakPolarHBondContact O-CB 3.27Å; P161-R164 PolarHBondContact O-N 2.85Å; C162-R164 VanDerWaalsContact C-N 3.27Å; C162-R164 PolarHBondContact O-N 3.4Å; R164-E191 IonicContact CZ-OE1 3.35Å; R164-E191 IonicContact CZ-OE2 3.44Å; R164-E191 IonicContact NE-OE1 3.1Å; R164-E191 PolarHBondContact NE-OE1 3.09Å; R164-E191 VanDerWaalsContact NE-OE1 3.1Å; R164-E191 IonicContact NE-OE2 2.75Å; R164-E191 PolarHBondContact NE-OE2 3.39Å; R164-E191 IonicContact NH2-OE1 2.73Å; R164-E191 PolarHBondContact NH2-OE1 3.07Å; R164-E191 IonicContact NH2-OE2 3.38Å; R164-E191 PolarHBondContact NH2-OE2 3.33Å
165V98.1Very high94.5Very high0 Ų028.6 Ų28.60%019%0.188CC..EExtended strand (participates in β ladder)trans-87.9112.7179.2-171.40000110.3L119 V129 Y131 L134 M151 C162 H163 K184L119-V165 HydrophobicContact CD1-CG2 3.61Å; L119-V165 HydrophobicContact CD2-CG2 3.82Å; L119-V165 HydrophobicContact CG-CG2 4.38Å; V129-V165 HydrophobicContact CG1-CB 4.45Å; V129-V165 HydrophobicContact CG1-CG1 4.47Å; V129-V165 HydrophobicContact CG1-CG2 3.92Å; V129-V165 CarbonylContact O-C 3.48Å; V129-V165 VanDerWaalsContact O-CA 3.29Å; V129-V165 WeakPolarHBondContact O-CA 3.3Å; Y131-V165 HydrophobicContact CD1-CG1 3.49Å; Y131-V165 VanDerWaalsContact CD1-CG1 3.49Å; Y131-V165 HydrophobicContact CD2-CG1 4.15Å; Y131-V165 HydrophobicContact CE1-CB 4.37Å; Y131-V165 HydrophobicContact CE1-CG1 3.55Å; Y131-V165 HydrophobicContact CE2-CG1 4.2Å; Y131-V165 HydrophobicContact CG-CG1 3.79Å; L134-V165 HydrophobicContact CD2-CG1 4.13Å; L134-V165 HydrophobicContact CD2-CG2 3.66Å; M151-V165 HydrophobicContact CG-CB 4.43Å; M151-V165 HydrophobicContact CG-CG2 4.47Å; M151-V165 HydrophobicContact SD-CB 4.09Å; M151-V165 HydrophobicContact SD-CG2 3.54Å; M151-V165 VanDerWaalsContact SD-CG2 3.54Å; C162-V165 PolarHBondContact O-N 2.92Å; H163-V165 VanDerWaalsContact C-N 3.28Å; H163-V165 PolarHBondContact O-N 3.21Å; V165-K184 WeakPolarHBondContact O-CE 3.26Å; V165-K184 PolarHBondContact O-NZ 3.23Å
166I97.4Very high93.9Very high16 Ų1631.1 Ų31.18%0.08220%0.2CC..EExtended strand (participates in β ladder)trans-122.3173.7-171.565.6169.7000112.6T128 V129 S130 Y131 Q171 L188T128-I166 HydrophobicContact CG2-CD1 4.31Å; T128-I166 HydrophobicContact CG2-CG2 4.48Å; V129-I166 PolarHBondContact O-N 3.41Å; S130-I166 VanDerWaalsContact CA-O 3.27Å; S130-I166 WeakPolarHBondContact CA-O 3.46Å; Y131-I166 WeakPolarHBondContact CD2-O 3.26Å; Y131-I166 PolarHBondContact N-O 3.07Å; Y131-I166 VanDerWaalsContact N-O 3.11Å; I166-Q171 WeakPolarHBondContact CB-O 3.43Å; I166-L188 HydrophobicContact CG2-CD1 4.25Å
167S95.6Very high93.1Very high31 Ų3135.8 Ų35.822%0.21723%0.233CC..  trans-70.2155.1172.9800000111.1S169 G170 Q171S167-S169 PolarHBondContact O-N 3.42Å; S167-S169 VanDerWaalsContact O-N 3.13Å; S167-S169 PolarHBondContact OG-N 3.42Å; S167-S169 PolarHBondContact OG-OG 3.15Å; S167-G170 PolarHBondContact O-N 3.02Å; S167-G170 PolarHBondContact OG-N 3.5Å; S167-Q171 PolarHBondContact N-O 3.32Å; S167-Q171 WeakPolarHBondContact OG-CB 3.39Å; S167-Q171 PolarHBondContact OG-N 3.13Å; S167-Q171 VanDerWaalsContact OG-N 3.08Å; S167-Q171 PolarHBondContact OG-O 3.16Å; S167-Q171 VanDerWaalsContact OG-O 3.14Å
168S93.4Very high92.4Very high91 Ų9136.9 Ų36.964%0.63625%0.246SC*.THydrogen-bonded Turntrans-64.8-12.7172-530000113.6G170S168-G170 VanDerWaalsContact C-N 3.3Å
169S93.3Very high91.8Very high94 Ų9445.9 Ų45.966%0.65728%0.28SS*.THydrogen-bonded Turntrans-87317460.50000113.4S167 Q171S167-S169 PolarHBondContact O-N 3.42Å; S167-S169 VanDerWaalsContact O-N 3.13Å; S167-S169 PolarHBondContact OG-N 3.42Å; S167-S169 PolarHBondContact OG-OG 3.15Å; S169-Q171 VanDerWaalsContact C-N 3.29Å; S169-Q171 PolarHBondContact O-N 3.38Å
170G89.8Confident91.3Very high51 Ų5145.6 Ų45.653%0.52628%0.279SS..SBendtrans82.80.9-179.500000114.6S167 S168S167-G170 PolarHBondContact O-N 3.02Å; S167-G170 PolarHBondContact OG-N 3.5Å; S168-G170 VanDerWaalsContact C-N 3.3Å
171Q92.2Very high90.9Very high125 Ų12548.4 Ų48.458%0.58429%0.294SS*.  trans-80.1141.4175.3-61.1-61.8-43.600109.9I166 S167 S169 G173I166-Q171 WeakPolarHBondContact CB-O 3.43Å; S167-Q171 PolarHBondContact N-O 3.32Å; S167-Q171 WeakPolarHBondContact OG-CB 3.39Å; S167-Q171 PolarHBondContact OG-N 3.13Å; S167-Q171 VanDerWaalsContact OG-N 3.08Å; S167-Q171 PolarHBondContact OG-O 3.16Å; S167-Q171 VanDerWaalsContact OG-O 3.14Å; S169-Q171 VanDerWaalsContact C-N 3.29Å; S169-Q171 PolarHBondContact O-N 3.38Å; Q171-G173 PolarHBondContact O-N 2.66Å; Q171-G173 VanDerWaalsContact O-N 3.14Å
172S89.7Confident90.4Very high15 Ų1553.2 Ų53.211%0.10532%0.316CS..  trans-56.1-36.5-179.663.20000112.1K184 Q185S172-K184 WeakPolarHBondContact O-CE 3.45Å; S172-K184 PolarHBondContact O-NZ 3.42Å; S172-Q185 PolarHBondContact OG-NE2 3.36Å
173G86.4Confident90.1Very high21 Ų2152.9 Ų52.922%0.21631%0.314CS..  trans67.8-178-170.200000112.5Q171Q171-G173 PolarHBondContact O-N 2.66Å; Q171-G173 VanDerWaalsContact O-N 3.14Å
174P86Confident90Very high84 Ų8453 Ų5355%0.54531%0.314SS..  trans-72.4151.9-170.628.4-34.8000113.1D181P174-D181 VanDerWaalsContact CA-OD1 3.28Å; P174-D181 WeakPolarHBondContact CA-OD1 3.4Å
175Y89.4Confident89.7Confident14 Ų1456.3 Ų56.36%0.05533%0.33CS..  trans-139.4139.6177.5-163-118.1000111H163 S177 G178 R179 G180 D181 L183 K184H163-Y175 HydrophobicContact CB-CE2 4.07Å; Y175-S177 PolarHBondContact O-N 3.47Å; Y175-S177 VanDerWaalsContact O-N 3.16Å; Y175-G178 WeakPolarHBondContact O-CA 3.49Å; Y175-G178 PolarHBondContact O-N 3.44Å; Y175-R179 PolarHBondContact O-N 2.83Å; Y175-G180 WeakPolarHBondContact CD1-O 3.33Å; Y175-G180 PolarHBondContact O-N 2.82Å; Y175-G180 VanDerWaalsContact O-N 3.13Å; Y175-D181 PolarHBondContact N-OD1 2.98Å; Y175-L183 HydrophobicContact CD1-CB 4.45Å; Y175-K184 HydrophobicContact CD1-CB 4.09Å; Y175-K184 HydrophobicContact CD2-CB 4.31Å; Y175-K184 HydrophobicContact CD2-CD 3.94Å; Y175-K184 HydrophobicContact CD2-CG 4.42Å; Y175-K184 HydrophobicContact CG-CB 3.8Å; Y175-K184 HydrophobicContact CG-CD 4.05Å; Y175-K184 HydrophobicContact CG-CG 4.37Å
176M85.1Confident89.4Confident66 Ų6658.8 Ų58.833%0.32534%0.34SS..G310 helixtrans47.546.6-179-60.2176.278.400112.8I46 M48 G178 R179I46-M176 HydrophobicContact CB-CE 4.43Å; M48-M176 HydrophobicContact CE-CE 3.78Å; M48-M176 HydrophobicContact CE-SD 4.36Å; M48-M176 HydrophobicContact SD-CE 4.06Å; M48-M176 HydrophobicContact SD-SD 3.93Å; M176-G178 VanDerWaalsContact C-N 3.3Å; M176-G178 PolarHBondContact O-N 3.11Å; M176-R179 PolarHBondContact O-N 2.99Å
177S81.4Confident89.2Confident98 Ų9858 Ų5869%0.68534%0.336SS*.G310 helixtrans60.432.9-176.8-54.30000114.4Y175 R179Y175-S177 PolarHBondContact O-N 3.47Å; Y175-S177 VanDerWaalsContact O-N 3.16Å; S177-R179 VanDerWaalsContact C-N 3.34Å
178G82Confident89.1Confident38 Ų3857.2 Ų57.239%0.39233%0.329SS..G310 helixtrans91.7-15.1176.400000114.3Y175 M176 G180 D181Y175-G178 WeakPolarHBondContact O-CA 3.49Å; Y175-G178 PolarHBondContact O-N 3.44Å; M176-G178 VanDerWaalsContact C-N 3.3Å; M176-G178 PolarHBondContact O-N 3.11Å; G178-G180 VanDerWaalsContact C-N 3.34Å; G178-D181 WeakPolarHBondContact CA-OD1 3.29Å
179R83.3Confident89Confident190 Ų19055.7 Ų55.772%0.71732%0.316SS*.THydrogen-bonded Turntrans-76.9-23.2179.5-63.5-168.3-65.6-170.92.1113.1M48 Y175 M176 S177 H182M48-R179 HydrophobicContact CE-CB 4.45Å; Y175-R179 PolarHBondContact O-N 2.83Å; M176-R179 PolarHBondContact O-N 2.99Å; S177-R179 VanDerWaalsContact C-N 3.34Å; R179-H182 PolarHBondContact O-CE1 3.13Å
180G85.7Confident88.8Confident0 Ų051.6 Ų51.60%029%0.286CS..THydrogen-bonded Turntrans-10615.6-175.800000114.3Y175 G178 H182 L183 K184Y175-G180 WeakPolarHBondContact CD1-O 3.33Å; Y175-G180 PolarHBondContact O-N 2.82Å; Y175-G180 VanDerWaalsContact O-N 3.13Å; G178-G180 VanDerWaalsContact C-N 3.34Å; G180-H182 PolarHBondContact O-N 3.5Å; G180-L183 WeakPolarHBondContact O-CA 3.43Å; G180-L183 WeakPolarHBondContact O-CB 3.09Å; G180-L183 PolarHBondContact O-N 2.67Å; G180-K184 PolarHBondContact O-N 3.14Å
181D90.4Very high88.9Confident59 Ų5949.2 Ų49.232%0.31626%0.262SS..Hα-helixtrans-60.2-37.9-174.1-727.7000111.9P174 Y175 G178 K184 Q185P174-D181 VanDerWaalsContact CA-OD1 3.28Å; P174-D181 WeakPolarHBondContact CA-OD1 3.4Å; Y175-D181 PolarHBondContact N-OD1 2.98Å; G178-D181 WeakPolarHBondContact CA-OD1 3.29Å; D181-K184 PolarHBondContact O-N 2.91Å; D181-Q185 WeakPolarHBondContact O-CG 3.16Å; D181-Q185 PolarHBondContact O-N 2.85Å; D181-Q185 VanDerWaalsContact O-N 3.11Å
182H87.8Confident88.6Confident102 Ų10250.9 Ų50.947%0.47226%0.263SS..Hα-helixtrans-67.2-35.4174.266.5-90.3000112.5P52 R179 G180 K184 Q185 W186P52-H182 WeakPolarHBondContact CD-CD2 3.48Å; P52-H182 WeakPolarHBondContact CD-NE2 3.45Å; P52-H182 VanDerWaalsContact CG-CD2 3.49Å; P52-H182 WeakPolarHBondContact CG-CD2 3.25Å; R179-H182 PolarHBondContact O-CE1 3.13Å; G180-H182 PolarHBondContact O-N 3.5Å; H182-K184 VanDerWaalsContact C-N 3.35Å; H182-Q185 PolarHBondContact O-N 3.27Å; H182-W186 WeakPolarHBondContact O-CB 3.48Å; H182-W186 PolarHBondContact O-N 3.11Å
183L90.6Very high87.9Confident0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-62.8-43.5172.8-8181000110.7L29 I46 M48 P52 Y175 G180 Q185 W186 L187L29-L183 HydrophobicContact CB-CD2 4.16Å; L29-L183 HydrophobicContact CD2-CD2 4.39Å; L29-L183 HydrophobicContact CD2-CG 4.38Å; I46-L183 HydrophobicContact CG2-CD2 3.74Å; M48-L183 HydrophobicContact CG-CD1 4.02Å; M48-L183 HydrophobicContact CG-CD2 3.79Å; M48-L183 HydrophobicContact SD-CD1 3.86Å; M48-L183 HydrophobicContact SD-CD2 4.17Å; P52-L183 HydrophobicContact CG-CD1 3.73Å; P52-L183 HydrophobicContact CG-CG 3.67Å; Y175-L183 HydrophobicContact CD1-CB 4.45Å; G180-L183 WeakPolarHBondContact O-CA 3.43Å; G180-L183 WeakPolarHBondContact O-CB 3.09Å; G180-L183 PolarHBondContact O-N 2.67Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 2.94Å; L183-W186 PolarHBondContact O-N 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.47Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 2.99Å
184K94.1Very high87.1Confident1 Ų158.9 Ų58.90%0.00429%0.289CS..Hα-helixtrans-61.4-42.5178.6-175169.7-173.9178.90111.5H163 V165 S172 Y175 G180 D181 H182 L187 L188H163-K184 HydrophobicContact CB-CG 4.07Å; H163-K184 WeakPolarHBondContact O-CE 3.43Å; V165-K184 WeakPolarHBondContact O-CE 3.26Å; V165-K184 PolarHBondContact O-NZ 3.23Å; S172-K184 WeakPolarHBondContact O-CE 3.45Å; S172-K184 PolarHBondContact O-NZ 3.42Å; Y175-K184 HydrophobicContact CD1-CB 4.09Å; Y175-K184 HydrophobicContact CD2-CB 4.31Å; Y175-K184 HydrophobicContact CD2-CD 3.94Å; Y175-K184 HydrophobicContact CD2-CG 4.42Å; Y175-K184 HydrophobicContact CG-CB 3.8Å; Y175-K184 HydrophobicContact CG-CD 4.05Å; Y175-K184 HydrophobicContact CG-CG 4.37Å; G180-K184 PolarHBondContact O-N 3.14Å; D181-K184 PolarHBondContact O-N 2.91Å; H182-K184 VanDerWaalsContact C-N 3.35Å; K184-L187 PolarHBondContact O-N 3.03Å; K184-L188 HydrophobicContact CG-CD1 4.16Å; K184-L188 WeakPolarHBondContact O-CB 3.47Å; K184-L188 VanDerWaalsContact O-CG 3.25Å; K184-L188 WeakPolarHBondContact O-CG 3.28Å; K184-L188 PolarHBondContact O-N 3Å
185Q92.4Very high85.6Confident86 Ų8656.9 Ų56.940%0.40228%0.284SS..Hα-helixtrans-63.9-43.5175.6-70.8-68-11.600112.2S172 D181 H182 L183 L187 L188 T189S172-Q185 PolarHBondContact OG-NE2 3.36Å; D181-Q185 WeakPolarHBondContact O-CG 3.16Å; D181-Q185 PolarHBondContact O-N 2.85Å; D181-Q185 VanDerWaalsContact O-N 3.11Å; H182-Q185 PolarHBondContact O-N 3.27Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 2.94Å; Q185-L187 PolarHBondContact O-N 3.44Å; Q185-L188 PolarHBondContact O-N 3.28Å; Q185-T189 WeakPolarHBondContact O-CB 3.41Å; Q185-T189 PolarHBondContact O-N 2.87Å; Q185-T189 PolarHBondContact O-OG1 3.5Å
186W91.3Very high83.3Confident52 Ų5264.7 Ų64.720%0.19732%0.32CS..Hα-helixtrans-59.5-47.6175.2-17496.2000111.1P28 L29 P52 L61 F87 H182 L183 L188 T189 H190P28-W186 HydrophobicContact CB-CH2 3.63Å; P28-W186 HydrophobicContact CB-CZ2 3.58Å; P28-W186 HydrophobicContact CB-CZ3 4.46Å; P28-W186 HydrophobicContact CG-CH2 4.14Å; P28-W186 HydrophobicContact CG-CZ2 4.37Å; L29-W186 HydrophobicContact CD2-CD2 4.11Å; L29-W186 HydrophobicContact CD2-CE3 3.49Å; L29-W186 VanDerWaalsContact CD2-CE3 3.49Å; L29-W186 HydrophobicContact CD2-CZ3 3.85Å; P52-W186 HydrophobicContact CB-CG 4.3Å; L61-W186 HydrophobicContact CD1-CH2 4.13Å; L61-W186 HydrophobicContact CD1-CZ2 4.2Å; L61-W186 HydrophobicContact CD2-CZ2 4.01Å; F87-W186 AromaticContact CD1-CH2 3.94Å; F87-W186 HydrophobicContact CD1-CH2 3.94Å; F87-W186 HydrophobicContact CD1-CZ3 4.12Å; F87-W186 HydrophobicContact CE1-CH2 4.09Å; F87-W186 AromaticContact CE1-CZ3 3.84Å; F87-W186 HydrophobicContact CE1-CZ3 3.84Å; H182-W186 WeakPolarHBondContact O-CB 3.48Å; H182-W186 PolarHBondContact O-N 3.11Å; L183-W186 PolarHBondContact O-N 3.31Å; W186-L188 PolarHBondContact O-N 3.48Å; W186-T189 WeakPolarHBondContact O-CB 3.34Å; W186-T189 PolarHBondContact O-N 3.13Å; W186-T189 VanDerWaalsContact O-N 3.11Å; W186-H190 HydrophobicContact CE3-CB 4.12Å; W186-H190 HydrophobicContact CH2-CB 3.99Å; W186-H190 AromaticContact CH2-CG 3.87Å; W186-H190 AromaticContact CH2-ND1 3.85Å; W186-H190 HydrophobicContact CZ3-CB 3.77Å; W186-H190 AromaticContact CZ3-CG 3.91Å; W186-H190 WeakPolarHBondContact O-CB 3.39Å; W186-H190 PolarHBondContact O-N 3.46Å
187L93.5Very high81.1Confident0 Ų068.1 Ų68.10%037%0.373CS..Hα-helixtrans-60.9-46.9179.3-73.8165.7000111.9L29 Y86 L158 H163 L183 K184 Q185 T189 H190 E191L29-L187 HydrophobicContact CD1-CD1 4.35Å; L29-L187 HydrophobicContact CD1-CD2 3.95Å; L29-L187 HydrophobicContact CD1-CG 4.39Å; L29-L187 HydrophobicContact CD2-CD2 4.3Å; L29-L187 HydrophobicContact CD2-CG 4.31Å; Y86-L187 HydrophobicContact CE1-CD2 3.77Å; Y86-L187 WeakPolarHBondContact OH-CD2 3.22Å; L158-L187 HydrophobicContact CD2-CD1 3.77Å; L158-L187 HydrophobicContact CD2-CD2 3.5Å; L158-L187 VanDerWaalsContact CD2-CD2 3.5Å; L158-L187 HydrophobicContact CD2-CG 4.31Å; H163-L187 HydrophobicContact CB-CB 4.33Å; H163-L187 HydrophobicContact CB-CD1 3.91Å; L183-L187 WeakPolarHBondContact O-CB 3.47Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 2.99Å; K184-L187 PolarHBondContact O-N 3.03Å; Q185-L187 PolarHBondContact O-N 3.44Å; L187-T189 PolarHBondContact O-N 3.03Å; L187-H190 PolarHBondContact O-N 2.73Å; L187-E191 WeakPolarHBondContact O-CG 3.49Å; L187-E191 PolarHBondContact O-N 3.05Å
188L93.8Very high81Confident14 Ų1466.6 Ų66.67%0.07336%0.357CS..Hα-helixtrans-60.7-34.7175.9-71.3169.5000112.1T128 I166 K184 Q185 W186 R192T128-L188 HydrophobicContact CG2-CD2 3.63Å; I166-L188 HydrophobicContact CG2-CD1 4.25Å; K184-L188 HydrophobicContact CG-CD1 4.16Å; K184-L188 WeakPolarHBondContact O-CB 3.47Å; K184-L188 VanDerWaalsContact O-CG 3.25Å; K184-L188 WeakPolarHBondContact O-CG 3.28Å; K184-L188 PolarHBondContact O-N 3Å; Q185-L188 PolarHBondContact O-N 3.28Å; W186-L188 PolarHBondContact O-N 3.48Å; L188-R192 VanDerWaalsContact O-CG 3.29Å; L188-R192 WeakPolarHBondContact O-CG 3.45Å; L188-R192 PolarHBondContact O-N 2.72Å
189T91.3Very high81Confident60 Ų6068.1 Ų68.137%0.36836%0.355SS..Hα-helixtrans-72.5-46.2177.7-57.50000111.4Q185 W186 L187 E191 R192 Q193Q185-T189 WeakPolarHBondContact O-CB 3.41Å; Q185-T189 PolarHBondContact O-N 2.87Å; Q185-T189 PolarHBondContact O-OG1 3.5Å; W186-T189 WeakPolarHBondContact O-CB 3.34Å; W186-T189 PolarHBondContact O-N 3.13Å; W186-T189 VanDerWaalsContact O-N 3.11Å; L187-T189 PolarHBondContact O-N 3.03Å; T189-E191 PolarHBondContact O-N 3.47Å; T189-R192 PolarHBondContact O-N 3.23Å; T189-R192 VanDerWaalsContact O-N 3.11Å; T189-Q193 HydrophobicContact CG2-CG 4.22Å; T189-Q193 WeakPolarHBondContact O-CG 3.24Å; T189-Q193 PolarHBondContact O-N 3.14Å
190H89.8Confident80.9Confident7 Ų761.3 Ų61.33%0.03234%0.335CS..Hα-helixtrans-53.3-43.6175.1174.573.2000111.5L61 Y86 W186 L187L61-H190 WeakPolarHBondContact CD1-ND1 3.49Å; Y86-H190 PolarHBondContact O-NE2 2.94Å; W186-H190 HydrophobicContact CE3-CB 4.12Å; W186-H190 HydrophobicContact CH2-CB 3.99Å; W186-H190 AromaticContact CH2-CG 3.87Å; W186-H190 AromaticContact CH2-ND1 3.85Å; W186-H190 HydrophobicContact CZ3-CB 3.77Å; W186-H190 AromaticContact CZ3-CG 3.91Å; W186-H190 WeakPolarHBondContact O-CB 3.39Å; W186-H190 PolarHBondContact O-N 3.46Å; L187-H190 PolarHBondContact O-N 2.73Å
191E91.4Very high80.6Confident1 Ų164.9 Ų64.91%0.00536%0.355CS..Hα-helixtrans-73.6-27.9179.7-63.2-166-179.300114.2Y86 F125 G126 H163 R164 L187 T189 G195Y86-E191 HydrophobicContact CE2-CG 4.38Å; Y86-E191 WeakPolarHBondContact CE2-OE1 3.49Å; Y86-E191 PolarHBondContact OH-OE1 3.35Å; Y86-E191 VanDerWaalsContact OH-OE1 3.07Å; F125-E191 HydrophobicContact CD1-CB 4.23Å; F125-E191 HydrophobicContact CD1-CG 4.46Å; F125-E191 HydrophobicContact CD2-CG 3.95Å; F125-E191 HydrophobicContact CE1-CB 3.85Å; F125-E191 HydrophobicContact CE1-CG 4.12Å; F125-E191 WeakPolarHBondContact CE1-O 3.19Å; F125-E191 HydrophobicContact CE2-CB 4.25Å; F125-E191 HydrophobicContact CE2-CG 3.58Å; F125-E191 HydrophobicContact CG-CG 4.38Å; F125-E191 HydrophobicContact CZ-CB 3.85Å; F125-E191 HydrophobicContact CZ-CG 3.66Å; G126-E191 PolarHBondContact N-OE2 3.09Å; H163-E191 IonicContact CD2-OE1 3.8Å; H163-E191 IonicContact CE1-OE1 3.56Å; H163-E191 IonicContact NE2-OE1 2.73Å; H163-E191 PolarHBondContact NE2-OE1 2.84Å; R164-E191 IonicContact CZ-OE1 3.35Å; R164-E191 IonicContact CZ-OE2 3.44Å; R164-E191 IonicContact NE-OE1 3.1Å; R164-E191 PolarHBondContact NE-OE1 3.09Å; R164-E191 VanDerWaalsContact NE-OE1 3.1Å; R164-E191 IonicContact NE-OE2 2.75Å; R164-E191 PolarHBondContact NE-OE2 3.39Å; R164-E191 IonicContact NH2-OE1 2.73Å; R164-E191 PolarHBondContact NH2-OE1 3.07Å; R164-E191 IonicContact NH2-OE2 3.38Å; R164-E191 PolarHBondContact NH2-OE2 3.33Å; L187-E191 WeakPolarHBondContact O-CG 3.49Å; L187-E191 PolarHBondContact O-N 3.05Å; T189-E191 PolarHBondContact O-N 3.47Å; E191-G195 PolarHBondContact O-N 2.8Å
192R86.4Confident80Confident160 Ų16065.3 Ų65.360%0.60436%0.357SS*.Hα-helixtrans-77.1-45.8177.6-76.1175.6-176.3-160.81.6112.5L188 T189 R194L188-R192 VanDerWaalsContact O-CG 3.29Å; L188-R192 WeakPolarHBondContact O-CG 3.45Å; L188-R192 PolarHBondContact O-N 2.72Å; T189-R192 PolarHBondContact O-N 3.23Å; T189-R192 VanDerWaalsContact O-N 3.11Å; R192-R194 PolarHBondContact O-N 3.08Å
193Q74.6Confident79.4Confident113 Ų11362.9 Ų62.953%0.52835%0.35SS..Hα-helixtrans-69.2-19.8-174.7-70.6177.4-14.100113.4T189T189-Q193 HydrophobicContact CG2-CG 4.22Å; T189-Q193 WeakPolarHBondContact O-CG 3.24Å; T189-Q193 PolarHBondContact O-N 3.14Å
194R68.9Low78.7Confident92 Ų9267.4 Ų67.435%0.34738%0.375SS..THydrogen-bonded Turntrans-124.114.2-174.5-56.5-172.5176.6-129.41.4113P90 Q91 R192P90-R194 HydrophobicContact CB-CB 4.34Å; P90-R194 HydrophobicContact CG-CB 3.56Å; P90-R194 HydrophobicContact CG-CG 4.18Å; Q91-R194 PolarHBondContact NE2-O 2.95Å; Q91-R194 VanDerWaalsContact NE2-O 3.14Å; Q91-R194 PolarHBondContact OE1-O 3.25Å; R192-R194 PolarHBondContact O-N 3.08Å
195G54.9Low77.5Confident42 Ų4272.5 Ų72.543%0.43340%0.403SS..  trans-99.60.3173.400000113.9E191E191-G195 PolarHBondContact O-N 2.8Å
196E40.6Very low76.2Confident177 Ų17771.3 Ų71.383%0.82740%0.403SS*.  trans-92.8104.4170-66.5-173.6168.900108.8
197G38.3Very low74.9Confident138 Ų13873.1 Ų73.1100%1.42342%0.422SS*.  trans-145.40169.800000108.7

Retrieved 197 of 197 residues in 310.7 ms (Link to these results)

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