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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 A0A060W6G6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mgmt, Length 202 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
1M33.9Very low35.5Very low243 Ų243152.3 Ų152.3100%1.19776%0.764SS**  099.40-67.9166.8178.600106.2
2N29.5Very low35.4Very low159 Ų159144.2 Ų144.285%0.8575%0.748SS**  trans-104.9100.2-166.2-150.220000108.1T4N2-T4 PolarHBondContact O-N 3.47Å
3T31.3Very low36Very low117 Ų117145.7 Ų145.772%0.71876%0.758SS**  trans-9294.6179.2-460000108.4L5T3-L5 PolarHBondContact O-N 3.39Å
4T34.3Very low36.3Very low99 Ų99145.6 Ų145.661%0.60776%0.759SS**  trans-67.296.1168.1-55.60000108.5N2 H6N2-T4 PolarHBondContact O-N 3.47Å; T4-H6 PolarHBondContact O-N 2.89Å
5L35.2Very low36.7Very low143 Ų143147.5 Ų147.575%0.74977%0.765SS**  trans-68.298.9162.9-94.7113.5000108.2T3 M7T3-L5 PolarHBondContact O-N 3.39Å; L5-M7 VanDerWaalsContact C-N 3.27Å; L5-M7 PolarHBondContact O-N 2.85Å
6H33.7Very low36.9Very low162 Ų162149.1 Ų149.175%0.7577%0.765SS**  trans-64.590.2161.3-86-87.9000108.6T4 F8T4-H6 PolarHBondContact O-N 2.89Å; H6-F8 PolarHBondContact O-N 2.88Å
7M40.3Very low37.2Very low150 Ų150145.1 Ų145.174%0.73975%0.753SS**  trans-76.712.2176.3-96.6-133.1-66.200114.4L5L5-M7 VanDerWaalsContact C-N 3.27Å; L5-M7 PolarHBondContact O-N 2.85Å
8F41.3Very low37.9Very low105 Ų105144.7 Ų144.746%0.46176%0.761SS.*SBendtrans-133.9110168.5-64.4-75.6000107.6H6 Y10H6-F8 PolarHBondContact O-N 2.88Å; F8-Y10 PolarHBondContact O-N 3.41Å
9P31.9Very low38.6Very low103 Ų103141.4 Ų141.467%0.66975%0.751SS**  trans-63.2115.4168.826.3-30.4000107.2Q11P9-Q11 HydrophobicContact CB-CG 4.15Å; P9-Q11 HydrophobicContact CG-CG 4.47Å; P9-Q11 PolarHBondContact O-N 3.06Å
10Y37.8Very low40Very low228 Ų228142.8 Ų142.889%0.89475%0.753SS**  trans-66.287.4163.5-172.6-95000106.6F8 G12F8-Y10 PolarHBondContact O-N 3.41Å; Y10-G12 PolarHBondContact O-N 3.02Å
11Q40.9Very low42.1Very low166 Ų166138.6 Ų138.678%0.77674%0.735SS**  trans-79.5118.8172.5-69.9-170.6-17.400107.9P9P9-Q11 HydrophobicContact CB-CG 4.15Å; P9-Q11 HydrophobicContact CG-CG 4.47Å; P9-Q11 PolarHBondContact O-N 3.06Å
12G34.3Very low44.6Very low55 Ų55136 Ų13657%0.56771%0.712SS**  trans-50.7149.4177.300000112.4Y10 N14Y10-G12 PolarHBondContact O-N 3.02Å; G12-N14 PolarHBondContact O-N 2.94Å
13N44.2Very low47.5Very low164 Ų164133.3 Ų133.388%0.87769%0.694SS**SBendtrans-37.794.7-180-154.630.5000113.3
14N39Very low50.2Low144 Ų144132.7 Ų132.777%0.7768%0.679SS**  trans-146.562.7161.6-139-18.3000108.6G12 K16G12-N14 PolarHBondContact O-N 2.94Å; N14-K16 PolarHBondContact O-N 3.21Å
15M43.3Very low52.8Low174 Ų174132.1 Ų132.186%0.85768%0.675SS**  trans-64.793.3167.5-140.8153.881.300106.1S17M15-S17 PolarHBondContact O-N 3.06Å
16K40.1Very low55.3Low174 Ų174125.7 Ų125.776%0.75764%0.641SS**  trans-49.6141.3170.9-72.5-179.2178.5176.30107.9N14N14-K16 PolarHBondContact O-N 3.21Å
17S41.7Very low57.9Low81 Ų81118.9 Ų118.957%0.56661%0.612SS**  trans-45.6151-175.9570000112.4M15 S19M15-S17 PolarHBondContact O-N 3.06Å; S17-S19 PolarHBondContact O-N 2.89Å; S17-S19 PolarHBondContact OG-OG 2.95Å
18P48.7Very low60Low137 Ų137111.8 Ų111.889%0.8958%0.577SS**SBendtrans-62.27-179.5-18.830.3000115.5
19S51.2Low62.1Low83 Ų83110.4 Ų110.458%0.5857%0.572SS**THydrogen-bonded Turntrans-97.818.3-160.460.10000115.4S17S17-S19 PolarHBondContact O-N 2.89Å; S17-S19 PolarHBondContact OG-OG 2.95Å
20Q66.8Low64.6Low168 Ų168106.1 Ų106.179%0.78555%0.545SS*.THydrogen-bonded Turntrans-165.842.1160-111.1158.449.500115.7R22Q20-R22 VanDerWaalsContact C-N 3.28Å; Q20-R22 PolarHBondContact O-N 2.85Å
21C84.1Confident66.8Low55 Ų5596 Ų9637%0.37251%0.506SS..  trans-7285.1165.6177.60000109.9Q23 H45C21-Q23 PolarHBondContact O-N 2.74Å; C21-Q23 VanDerWaalsContact O-N 3.15Å; C21-H45 PolarHBondContact SG-CE1 3.44Å; C21-H45 PolarHBondContact SG-NE2 3.48Å
22R87.9Confident68.9Low188 Ų18888 Ų8871%0.70947%0.469SS*.  trans-83.991.5-179.1-171.3176.9179.8-179.1-1.6110.2Q20Q20-R22 VanDerWaalsContact C-N 3.28Å; Q20-R22 PolarHBondContact O-N 2.85Å
23Q88.6Confident71.4Confident103 Ų10385.4 Ų85.448%0.48144%0.442SS..  trans-68.1139.8177.8-68.1-177-16.300111.9C21 G39 H45C21-Q23 PolarHBondContact O-N 2.74Å; C21-Q23 VanDerWaalsContact O-N 3.15Å; Q23-G39 CarbonylContact C-O 3.55Å; Q23-G39 WeakPolarHBondContact CA-O 3.36Å; Q23-H45 PolarHBondContact NE2-CE1 2.91Å; Q23-H45 PolarHBondContact NE2-ND1 3.46Å
24R87.9Confident73.5Confident105 Ų10580.8 Ų80.840%0.39641%0.414SS..EExtended strand (participates in β ladder)trans-117.5150.3166.3-67.2-179.7171.1135.3-4.6108.3S38 G39 E76 L81R24-S38 CarbonylContact O-C 3.56Å; R24-S38 VanDerWaalsContact O-CA 3.27Å; R24-S38 WeakPolarHBondContact O-CA 3.44Å; R24-G39 PolarHBondContact N-O 3.28Å; R24-G39 PolarHBondContact O-N 3.37Å; R24-E76 IonicContact CZ-OE2 3.83Å; R24-E76 IonicContact NE-OE2 3.77Å; R24-E76 PolarHBondContact NH1-O 2.8Å; R24-E76 IonicContact NH2-OE2 3.39Å; R24-E76 PolarHBondContact NH2-OE2 3.46Å; R24-L81 HydrophobicContact CB-CD1 4.35Å
25T90.1Very high76Confident86 Ų8673.9 Ų73.953%0.52838%0.378SS..EExtended strand (participates in β ladder)trans-121.8132.7176.7-59.60000109.7Q36 V37T25-Q36 HydrophobicContact CG2-CB 4.17Å; T25-V37 CarbonylContact C-O 3.54Å; T25-V37 VanDerWaalsContact CA-O 3.32Å; T25-V37 WeakPolarHBondContact CA-O 3.31Å
26I87.9Confident78.4Confident9 Ų968.3 Ų68.35%0.04635%0.349CS..EExtended strand (participates in β ladder)trans-115.6156.7172.863.2170.5000109.3L28 Q36 V37 V70 M77 L81 V85I26-L28 HydrophobicContact CD1-CD1 4.27Å; I26-L28 HydrophobicContact CG1-CD1 4.31Å; I26-Q36 WeakPolarHBondContact O-CA 3.39Å; I26-V37 HydrophobicContact CD1-CB 4.26Å; I26-V37 HydrophobicContact CG1-CB 3.8Å; I26-V37 HydrophobicContact CG1-CG2 4.5Å; I26-V37 PolarHBondContact N-O 3.24Å; I26-V37 PolarHBondContact O-N 3.34Å; I26-V70 HydrophobicContact CG2-CG1 4.22Å; I26-M77 HydrophobicContact CD1-CE 3.93Å; I26-M77 HydrophobicContact CD1-SD 3.97Å; I26-M77 HydrophobicContact CG2-CE 4.05Å; I26-L81 HydrophobicContact CD1-CB 4.34Å; I26-L81 HydrophobicContact CD1-CD2 4.3Å; I26-L81 HydrophobicContact CG1-CD2 4.42Å; I26-L81 HydrophobicContact CG2-CD1 4.38Å; I26-V85 HydrophobicContact CD1-CG2 3.29Å
27S87.2Confident81Confident19 Ų1960 Ų6013%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-122.4139.8177.7-640000110.5I35 T69S27-I35 CarbonylContact C-O 3.48Å; S27-I35 WeakPolarHBondContact CA-O 3.41Å; S27-T69 CarbonylContact O-C 3.07Å
28L85.6Confident83.5Confident1 Ų156.5 Ų56.51%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-125.9140.5176.1-5786.5000108.7I26 K34 I35 V37 V68 V85 L88I26-L28 HydrophobicContact CD1-CD1 4.27Å; I26-L28 HydrophobicContact CG1-CD1 4.31Å; L28-K34 CarbonylContact O-C 3.47Å; L28-K34 WeakPolarHBondContact O-CA 3.39Å; L28-I35 HydrophobicContact CB-CB 4.47Å; L28-I35 PolarHBondContact N-O 3.06Å; L28-I35 PolarHBondContact O-N 3.13Å; L28-V37 HydrophobicContact CD1-CG2 3.69Å; L28-V68 HydrophobicContact CD2-CG2 3.83Å; L28-V68 HydrophobicContact CG-CG1 4.4Å; L28-V68 HydrophobicContact CG-CG2 4.09Å; L28-V85 HydrophobicContact CD2-CG1 4.32Å; L28-V85 HydrophobicContact CD2-CG2 4.15Å; L28-L88 HydrophobicContact CD1-CD1 4.33Å; L28-L88 HydrophobicContact CD2-CB 4.25Å; L28-L88 HydrophobicContact CD2-CD1 4.02Å
29Q84.3Confident85.7Confident75 Ų7550 Ų5035%0.3525%0.246SC..  trans-84.9135.7165-64.7-60.7-16.600109.3C66 V67Q29-C66 VanDerWaalsContact O-CA 3.26Å; Q29-C66 WeakPolarHBondContact O-CA 3.41Å; Q29-C66 PolarHBondContact O-SG 3.37Å; Q29-V67 PolarHBondContact N-O 2.97Å
30S84.8Confident87.6Confident14 Ų1446.5 Ų46.510%0.09822%0.222CC..  trans-143.4167.8-17884.30000111.3L32 G33 I35S30-L32 PolarHBondContact O-N 3.34Å; S30-L32 PolarHBondContact OG-N 3.16Å; S30-L32 VanDerWaalsContact OG-N 3.12Å; S30-G33 WeakPolarHBondContact CB-O 3.32Å; S30-G33 PolarHBondContact N-O 3.18Å; S30-G33 WeakPolarHBondContact O-CA 3.35Å; S30-G33 PolarHBondContact O-N 3.14Å; S30-G33 PolarHBondContact OG-O 3.08Å; S30-I35 VanDerWaalsContact OG-CD1 3.32Å; S30-I35 WeakPolarHBondContact OG-CD1 3.44Å
31P84.8Confident88.8Confident14 Ų1444 Ų449%0.09121%0.21CC..THydrogen-bonded Turntrans-60.3-16.4173.2-23.936.4000114.2R58 L64 F92 W191P31-R58 WeakPolarHBondContact O-CD 3.43Å; P31-R58 VanDerWaalsContact O-CG 3.3Å; P31-R58 WeakPolarHBondContact O-CG 3.47Å; P31-L64 HydrophobicContact CB-CD2 3.86Å; P31-L64 HydrophobicContact CG-CB 4.06Å; P31-L64 HydrophobicContact CG-CD2 3.43Å; P31-L64 VanDerWaalsContact CG-CD2 3.43Å; P31-L64 HydrophobicContact CG-CG 4.2Å; P31-F92 HydrophobicContact CG-CB 4.42Å; P31-F92 HydrophobicContact CG-CD1 3.94Å; P31-F92 HydrophobicContact CG-CG 4.3Å; P31-W191 HydrophobicContact CB-CH2 3.65Å; P31-W191 HydrophobicContact CB-CZ2 3.52Å; P31-W191 HydrophobicContact CG-CH2 4.08Å; P31-W191 HydrophobicContact CG-CZ2 4.25Å
32L85.2Confident89.2Confident0 Ų044.4 Ų44.40%021%0.209CC..THydrogen-bonded Turntrans-91.60.2175.8-52.9-178.9000113.2S30 I49 F92 L163 L188 W191 L192S30-L32 PolarHBondContact O-N 3.34Å; S30-L32 PolarHBondContact OG-N 3.16Å; S30-L32 VanDerWaalsContact OG-N 3.12Å; L32-I49 HydrophobicContact CB-CG2 3.78Å; L32-I49 HydrophobicContact CD1-CD1 3.93Å; L32-I49 HydrophobicContact CD1-CG2 4.44Å; L32-F92 HydrophobicContact CD1-CE1 4Å; L32-F92 HydrophobicContact CD1-CZ 3.87Å; L32-F92 HydrophobicContact CG-CE1 3.91Å; L32-F92 HydrophobicContact CG-CZ 4.07Å; L32-L163 HydrophobicContact CD1-CD1 4.32Å; L32-L163 HydrophobicContact CD1-CD2 4.08Å; L32-L188 HydrophobicContact CB-CD2 4.13Å; L32-L188 HydrophobicContact CD1-CD2 4.42Å; L32-L188 HydrophobicContact CD2-CD2 4.3Å; L32-L188 HydrophobicContact CD2-CG 4.31Å; L32-W191 HydrophobicContact CD2-CD2 4.03Å; L32-W191 HydrophobicContact CD2-CE3 3.47Å; L32-W191 VanDerWaalsContact CD2-CE3 3.47Å; L32-W191 HydrophobicContact CD2-CZ3 3.84Å; L32-W191 HydrophobicContact CG-CZ3 4.49Å; L32-L192 HydrophobicContact CD1-CD1 4.34Å; L32-L192 HydrophobicContact CD1-CD2 4.03Å; L32-L192 HydrophobicContact CD1-CG 4.41Å; L32-L192 HydrophobicContact CD2-CD2 4.44Å; L32-L192 HydrophobicContact CD2-CG 4.44Å
33G85.1Confident89.6Confident0 Ų035.5 Ų35.50%018%0.175CC..SBendtrans96.2-168.3-164.600000113S30 I35 D52 V53S30-G33 WeakPolarHBondContact CB-O 3.32Å; S30-G33 PolarHBondContact N-O 3.18Å; S30-G33 WeakPolarHBondContact O-CA 3.35Å; S30-G33 PolarHBondContact O-N 3.14Å; S30-G33 PolarHBondContact OG-O 3.08Å; G33-I35 PolarHBondContact O-N 3.37Å; G33-D52 WeakPolarHBondContact CA-OD1 3.39Å; G33-V53 VanDerWaalsContact CA-CG2 3.5Å
34K88.4Confident90Very high66 Ų6630.6 Ų30.629%0.28715%0.152SC..  trans-64.3127.3179.7-170178.7-58.6168.40110.6L28 L50 D52L28-K34 CarbonylContact O-C 3.47Å; L28-K34 WeakPolarHBondContact O-CA 3.39Å; K34-L50 HydrophobicContact CB-CB 4.42Å; K34-L50 HydrophobicContact CB-CD1 4.27Å; K34-L50 HydrophobicContact CD-CD1 4Å; K34-L50 HydrophobicContact CG-CD1 4.29Å; K34-L50 PolarHBondContact O-N 3.42Å; K34-D52 VanDerWaalsContact CB-OD2 3.29Å; K34-D52 WeakPolarHBondContact CB-OD2 3.45Å; K34-D52 PolarHBondContact N-OD1 3.08Å
35I91.9Very high90.4Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-106126172.5-64.2179.1000108.1S27 L28 S30 G33 V37 I47 Q48 I49 L88 F92 L163S27-I35 CarbonylContact C-O 3.48Å; S27-I35 WeakPolarHBondContact CA-O 3.41Å; L28-I35 HydrophobicContact CB-CB 4.47Å; L28-I35 PolarHBondContact N-O 3.06Å; L28-I35 PolarHBondContact O-N 3.13Å; S30-I35 VanDerWaalsContact OG-CD1 3.32Å; S30-I35 WeakPolarHBondContact OG-CD1 3.44Å; G33-I35 PolarHBondContact O-N 3.37Å; I35-V37 HydrophobicContact CG2-CG2 4.06Å; I35-I47 HydrophobicContact CG2-CG2 3.67Å; I35-Q48 CarbonylContact C-O 3.59Å; I35-Q48 VanDerWaalsContact CA-O 3.31Å; I35-Q48 WeakPolarHBondContact CA-O 3.16Å; I35-I49 HydrophobicContact CG1-CG1 4.27Å; I35-L88 HydrophobicContact CG2-CD1 4.37Å; I35-F92 HydrophobicContact CD1-CE2 3.66Å; I35-F92 HydrophobicContact CD1-CZ 3.77Å; I35-L163 HydrophobicContact CD1-CD1 3.82Å
36Q93.4Very high90.8Very high56 Ų5623.4 Ų23.426%0.26212%0.12SC..EExtended strand (participates in β ladder)trans-103.8127.2170.7-66-172.7-39.600109.7T25 I26 I47 Q48 L50T25-Q36 HydrophobicContact CG2-CB 4.17Å; I26-Q36 WeakPolarHBondContact O-CA 3.39Å; Q36-I47 CarbonylContact O-C 3.56Å; Q36-I47 WeakPolarHBondContact O-CA 3.46Å; Q36-Q48 HydrophobicContact CB-CB 4.37Å; Q36-Q48 PolarHBondContact N-O 3.32Å; Q36-Q48 PolarHBondContact O-N 3.38Å; Q36-L50 HydrophobicContact CG-CD1 4.2Å; Q36-L50 HydrophobicContact CG-CG 4.47Å
37V94.6Very high91.2Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-114.1123.8176-174.50000107.9T25 I26 L28 I35 V44 T46 I47 L81 C84 L88T25-V37 CarbonylContact C-O 3.54Å; T25-V37 VanDerWaalsContact CA-O 3.32Å; T25-V37 WeakPolarHBondContact CA-O 3.31Å; I26-V37 HydrophobicContact CD1-CB 4.26Å; I26-V37 HydrophobicContact CG1-CB 3.8Å; I26-V37 HydrophobicContact CG1-CG2 4.5Å; I26-V37 PolarHBondContact N-O 3.24Å; I26-V37 PolarHBondContact O-N 3.34Å; L28-V37 HydrophobicContact CD1-CG2 3.69Å; I35-V37 HydrophobicContact CG2-CG2 4.06Å; V37-V44 HydrophobicContact CG1-CG1 3.87Å; V37-T46 CarbonylContact C-O 3.58Å; V37-T46 WeakPolarHBondContact CA-O 3.43Å; V37-I47 HydrophobicContact CG1-CG1 4.32Å; V37-I47 HydrophobicContact CG2-CG1 4.23Å; V37-L81 HydrophobicContact CB-CD2 4.39Å; V37-L81 HydrophobicContact CG1-CD2 3.64Å; V37-C84 HydrophobicContact CG1-CB 4.45Å; V37-L88 HydrophobicContact CG2-CD1 3.88Å
38S94.8Very high91.6Very high7 Ų727.2 Ų27.25%0.04914%0.135CC..EExtended strand (participates in β ladder)trans-104.5141.9170.776.20000110.7R24 H45 T46R24-S38 CarbonylContact O-C 3.56Å; R24-S38 VanDerWaalsContact O-CA 3.27Å; R24-S38 WeakPolarHBondContact O-CA 3.44Å; S38-H45 PolarHBondContact O-N 2.92Å; S38-H45 WeakPolarHBondContact OG-CB 3.29Å; S38-T46 PolarHBondContact N-O 3.44Å; S38-T46 PolarHBondContact O-N 3.03Å; S38-T46 PolarHBondContact OG-N 3.47Å; S38-T46 PolarHBondContact OG-OG1 3.13Å
39G94.3Very high91.9Very high0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-160.6162.4-177.800000112.1Q23 R24 G43Q23-G39 CarbonylContact C-O 3.55Å; Q23-G39 WeakPolarHBondContact CA-O 3.36Å; R24-G39 PolarHBondContact N-O 3.28Å; R24-G39 PolarHBondContact O-N 3.37Å; G39-G43 CarbonylContact C-O 3.57Å; G39-G43 VanDerWaalsContact CA-O 3.26Å; G39-G43 WeakPolarHBondContact CA-O 3.31Å
40C92.4Very high92Very high11 Ų1127.6 Ų27.67%0.07414%0.139CC..EExtended strand (participates in β ladder)trans-129.1-172.9168.972.80000109.6N42 G43 H45 H107C40-N42 PolarHBondContact O-N 2.75Å; C40-N42 VanDerWaalsContact O-N 3.13Å; C40-N42 PolarHBondContact SG-N 2.88Å; C40-N42 VanDerWaalsContact SG-N 3.37Å; C40-G43 PolarHBondContact N-O 3.28Å; C40-G43 PolarHBondContact O-N 3.2Å; C40-G43 VanDerWaalsContact O-N 3.14Å; C40-H45 PolarHBondContact SG-NE2 3.39Å; C40-H107 PolarHBondContact SG-ND1 3.48Å; C40-H107 VanDerWaalsContact SG-ND1 3.37Å
41E90.9Very high91.7Very high115 Ų11529.8 Ų29.854%0.53715%0.149SC..THydrogen-bonded Turntrans-60.8-18.2177.171-73.9172.400114.1
42N93.4Very high91.3Very high64 Ų6433 Ų3334%0.34217%0.165SC..THydrogen-bonded Turntrans-96.5-6.9179.3-53.3-69.1000113.4C40 V105 H107C40-N42 PolarHBondContact O-N 2.75Å; C40-N42 VanDerWaalsContact O-N 3.13Å; C40-N42 PolarHBondContact SG-N 2.88Å; C40-N42 VanDerWaalsContact SG-N 3.37Å; N42-V105 VanDerWaalsContact O-CG1 3.32Å; N42-V105 WeakPolarHBondContact O-CG1 3.03Å; N42-H107 HydrophobicContact CB-CB 4.35Å
43G95.3Very high90.4Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans144.5178.1177.500000116.2G39 C40 H45 V105G39-G43 CarbonylContact C-O 3.57Å; G39-G43 VanDerWaalsContact CA-O 3.26Å; G39-G43 WeakPolarHBondContact CA-O 3.31Å; C40-G43 PolarHBondContact N-O 3.28Å; C40-G43 PolarHBondContact O-N 3.2Å; C40-G43 VanDerWaalsContact O-N 3.14Å; G43-H45 PolarHBondContact O-CD2 3.1Å; G43-V105 CarbonylContact C-O 3.48Å; G43-V105 WeakPolarHBondContact CA-O 2.77Å
44V97.3Very high89.5Confident0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-74.8130.4175178.90000109.8V37 E80 C84 P104 V105 H107 V161V37-V44 HydrophobicContact CG1-CG1 3.87Å; V44-E80 WeakPolarHBondContact CG2-O 3.26Å; V44-C84 HydrophobicContact CG2-CB 3.81Å; V44-P104 HydrophobicContact CG2-CB 3.73Å; V44-P104 HydrophobicContact CG2-CG 3.88Å; V44-V105 PolarHBondContact N-O 3.31Å; V44-H107 PolarHBondContact O-N 3.35Å; V44-V161 HydrophobicContact CG1-CG1 3.9Å
45H97.1Very high88.4Confident9 Ų938 Ų384%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-97.6-53.7178.4-79.2-99.1000112.1C21 Q23 S38 C40 G43 H107 H108C21-H45 PolarHBondContact SG-CE1 3.44Å; C21-H45 PolarHBondContact SG-NE2 3.48Å; Q23-H45 PolarHBondContact NE2-CE1 2.91Å; Q23-H45 PolarHBondContact NE2-ND1 3.46Å; S38-H45 PolarHBondContact O-N 2.92Å; S38-H45 WeakPolarHBondContact OG-CB 3.29Å; C40-H45 PolarHBondContact SG-NE2 3.39Å; G43-H45 PolarHBondContact O-CD2 3.1Å; H45-H107 AromaticContact CE1-CG 3.95Å; H45-H107 AromaticContact CE1-ND1 3.15Å; H45-H107 PolarHBondContact CE1-ND1 3.35Å; H45-H107 PolarHBondContact CE1-O 3.11Å; H45-H107 PolarHBondContact ND1-O 2.86Å; H45-H107 AromaticContact NE2-CE1 3.99Å; H45-H107 AromaticContact NE2-CG 3.76Å; H45-H107 AromaticContact NE2-ND1 2.94Å; H45-H107 PolarHBondContact NE2-ND1 3.34Å; H45-H108 VanDerWaalsContact O-CB 3.32Å; H45-H108 WeakPolarHBondContact O-CB 3.42Å; H45-H108 PolarHBondContact O-CD2 3.43Å
46T97.8Very high86.9Confident32 Ų3242 Ų4220%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-142.2151.7-175.567.90000112.8V37 S38 P160V37-T46 CarbonylContact C-O 3.58Å; V37-T46 WeakPolarHBondContact CA-O 3.43Å; S38-T46 PolarHBondContact N-O 3.44Å; S38-T46 PolarHBondContact O-N 3.03Å; S38-T46 PolarHBondContact OG-N 3.47Å; S38-T46 PolarHBondContact OG-OG1 3.13Å; T46-P160 CarbonylContact C-O 3.14Å; T46-P160 WeakPolarHBondContact CA-O 3.28Å; T46-P160 HydrophobicContact CG2-CB 4.37Å
47I96.8Very high85.3Confident7 Ų746 Ų464%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-121.8124.5165.2-62.5-179.6000107.6I35 Q36 V37 P160 V161 P162 L164I35-I47 HydrophobicContact CG2-CG2 3.67Å; Q36-I47 CarbonylContact O-C 3.56Å; Q36-I47 WeakPolarHBondContact O-CA 3.46Å; V37-I47 HydrophobicContact CG1-CG1 4.32Å; V37-I47 HydrophobicContact CG2-CG1 4.23Å; I47-P160 PolarHBondContact N-O 2.78Å; I47-V161 HydrophobicContact CD1-CB 4.26Å; I47-V161 HydrophobicContact CG1-CB 4.24Å; I47-V161 HydrophobicContact CG1-CG1 4.26Å; I47-P162 HydrophobicContact CB-CG 4.16Å; I47-P162 WeakPolarHBondContact CD1-O 3.49Å; I47-P162 HydrophobicContact CG2-CG 4.17Å; I47-P162 VanDerWaalsContact O-CD 3.27Å; I47-P162 WeakPolarHBondContact O-CD 3.19Å; I47-P162 WeakPolarHBondContact O-CG 3.44Å; I47-L164 HydrophobicContact CD1-CB 4.4Å; I47-L164 HydrophobicContact CD1-CD1 3.54Å; I47-L164 HydrophobicContact CD1-CG 3.78Å
48Q94.9Very high83.8Confident100 Ų10047 Ų4747%0.46726%0.259SS..EExtended strand (participates in β ladder)trans-119123.8176.5-64-176.5-6.900109.6I35 Q36 L50I35-Q48 CarbonylContact C-O 3.59Å; I35-Q48 VanDerWaalsContact CA-O 3.31Å; I35-Q48 WeakPolarHBondContact CA-O 3.16Å; Q36-Q48 HydrophobicContact CB-CB 4.37Å; Q36-Q48 PolarHBondContact N-O 3.32Å; Q36-Q48 PolarHBondContact O-N 3.38Å; Q48-L50 HydrophobicContact CB-CD2 4.48Å
49I92.1Very high81.7Confident9 Ų951.3 Ų51.35%0.04629%0.289CS..EExtended strand (participates in β ladder)trans-97.1112173.8-54.8164.7000106.8L32 I35 M51 L163 M181 L188L32-I49 HydrophobicContact CB-CG2 3.78Å; L32-I49 HydrophobicContact CD1-CD1 3.93Å; L32-I49 HydrophobicContact CD1-CG2 4.44Å; I35-I49 HydrophobicContact CG1-CG1 4.27Å; I49-M51 VanDerWaalsContact C-N 3.31Å; I49-M51 HydrophobicContact CG2-CG 4.03Å; I49-M51 PolarHBondContact O-N 3.48Å; I49-L163 HydrophobicContact CD1-CD1 4.3Å; I49-L163 HydrophobicContact CD1-CD2 4.48Å; I49-L163 HydrophobicContact CD1-CG 4.29Å; I49-M181 HydrophobicContact CB-CE 4.46Å; I49-L188 HydrophobicContact CG2-CD2 3.78Å
50L87.1Confident79.2Confident75 Ų7553.6 Ų53.639%0.39331%0.313SS..  trans-78.6-14.8-173.8-60.6-170.8000113.6K34 Q36 Q48 D52K34-L50 HydrophobicContact CB-CB 4.42Å; K34-L50 HydrophobicContact CB-CD1 4.27Å; K34-L50 HydrophobicContact CD-CD1 4Å; K34-L50 HydrophobicContact CG-CD1 4.29Å; K34-L50 PolarHBondContact O-N 3.42Å; Q36-L50 HydrophobicContact CG-CD1 4.2Å; Q36-L50 HydrophobicContact CG-CG 4.47Å; Q48-L50 HydrophobicContact CB-CD2 4.48Å; L50-D52 PolarHBondContact O-N 2.9Å
51M77.1Confident77Confident61 Ų6161.7 Ų61.730%0.336%0.355SS..  trans5534.5176.8-54.7-176.7-7200113.5I49 V53 M181 L188I49-M51 VanDerWaalsContact C-N 3.31Å; I49-M51 HydrophobicContact CG2-CG 4.03Å; I49-M51 PolarHBondContact O-N 3.48Å; M51-V53 VanDerWaalsContact C-N 3.25Å; M51-V53 PolarHBondContact O-N 2.98Å; M51-M181 HydrophobicContact CE-CE 3.98Å; M51-M181 HydrophobicContact SD-CE 4.16Å; M51-M181 HydrophobicContact SD-SD 4.14Å; M51-L188 HydrophobicContact CG-CD1 4.08Å; M51-L188 HydrophobicContact CG-CD2 3.77Å; M51-L188 HydrophobicContact SD-CD1 3.62Å; M51-L188 HydrophobicContact SD-CD2 4Å; M51-L188 HydrophobicContact SD-CG 4.5Å
52D77.2Confident74.7Confident82 Ų8261.6 Ų61.644%0.43936%0.363SS..  trans-79.9-3.3178.757.2-12.5000113.5G33 K34 L50G33-D52 WeakPolarHBondContact CA-OD1 3.39Å; K34-D52 VanDerWaalsContact CB-OD2 3.29Å; K34-D52 WeakPolarHBondContact CB-OD2 3.45Å; K34-D52 PolarHBondContact N-OD1 3.08Å; L50-D52 PolarHBondContact O-N 2.9Å
53V67.4Low72.5Confident33 Ų3363.4 Ų63.420%0.238%0.38CS..SBendtrans-101.2121.7172.6175.30000110.5G33 M51 E57 R58G33-V53 VanDerWaalsContact CA-CG2 3.5Å; M51-V53 VanDerWaalsContact C-N 3.25Å; M51-V53 PolarHBondContact O-N 2.98Å; V53-E57 HydrophobicContact CG1-CB 4.03Å; V53-R58 HydrophobicContact CG1-CG 4.11Å; V53-R58 PolarHBondContact O-NE 2.94Å; V53-R58 PolarHBondContact O-NH2 3.44Å
54P65.6Low70.4Confident59 Ų5967 Ų6738%0.38340%0.399SS..  trans-59.1150.2177.2-23.533.4000112.8A56 E57 R58P54-A56 VanDerWaalsContact C-N 3.25Å; P54-A56 PolarHBondContact O-N 2.81Å; P54-E57 PolarHBondContact O-N 3.4Å; P54-R58 WeakPolarHBondContact O-CG 3.28Å
55P64.6Low68.1Low77 Ų7770.3 Ų70.350%0.542%0.423SS..G310 helixtrans-56.2-34.3-179.8-25.334.1000114.9E57 R58P55-E57 VanDerWaalsContact C-N 3.3Å; P55-E57 PolarHBondContact O-N 3.07Å; P55-R58 WeakPolarHBondContact O-CB 3.43Å; P55-R58 PolarHBondContact O-N 3.02Å
56A61.2Low65.8Low86 Ų8670.3 Ų70.371%0.71142%0.424SS*.G310 helixtrans-65.9-31.4-17800000113.1P54 R58P54-A56 VanDerWaalsContact C-N 3.25Å; P54-A56 PolarHBondContact O-N 2.81Å; A56-R58 VanDerWaalsContact C-N 3.28Å; A56-R58 PolarHBondContact O-N 3.15Å
57E59.9Low63.8Low140 Ų14072.6 Ų72.665%0.65444%0.437SS*.G310 helixtrans-84.5-2.6-178.6-67.4171.6-149.100112.7V53 P54 P55 S59V53-E57 HydrophobicContact CG1-CB 4.03Å; P54-E57 PolarHBondContact O-N 3.4Å; P55-E57 VanDerWaalsContact C-N 3.3Å; P55-E57 PolarHBondContact O-N 3.07Å; E57-S59 VanDerWaalsContact C-N 3.31Å
58R62.9Low61.6Low20 Ų2073.1 Ų73.18%0.07544%0.441CS..G310 helixtrans-86.2-4.9178.4-50.8-177.8-172.3176.4-4.7113.4P31 V53 P54 P55 A56 H187 L188P31-R58 WeakPolarHBondContact O-CD 3.43Å; P31-R58 VanDerWaalsContact O-CG 3.3Å; P31-R58 WeakPolarHBondContact O-CG 3.47Å; V53-R58 HydrophobicContact CG1-CG 4.11Å; V53-R58 PolarHBondContact O-NE 2.94Å; V53-R58 PolarHBondContact O-NH2 3.44Å; P54-R58 WeakPolarHBondContact O-CG 3.28Å; P55-R58 WeakPolarHBondContact O-CB 3.43Å; P55-R58 PolarHBondContact O-N 3.02Å; A56-R58 VanDerWaalsContact C-N 3.28Å; A56-R58 PolarHBondContact O-N 3.15Å; R58-H187 PolarHBondContact NH1-CD2 3.06Å; R58-H187 PolarHBondContact NH1-NE2 2.86Å; R58-L188 VanDerWaalsContact NH1-CD1 3.27Å
59S50.2Low59.6Low97 Ų9772.3 Ų72.368%0.67844%0.443SS*.SBendtrans-125.381.9-171.1-45.40000108.5E57E57-S59 VanDerWaalsContact C-N 3.31Å
60G42.9Very low57.9Low48 Ų4873.2 Ų73.250%0.49545%0.449SS..SBendtrans169.1101.4173.900000112.4T62G60-T62 PolarHBondContact O-N 2.78Å; G60-T62 PolarHBondContact O-OG1 2.93Å
61D44.5Very low56.3Low181 Ų18173.8 Ų73.897%0.96846%0.459SS*.  trans44.33.6140.8-143.415.6000120.3S63D61-S63 PolarHBondContact O-N 2.91Å
62T43.7Very low55Low113 Ų11377.3 Ų77.369%0.69348%0.479SS*.SBendtrans-94.4108.9178.7-31.90000104.5G60 L64G60-T62 PolarHBondContact O-N 2.78Å; G60-T62 PolarHBondContact O-OG1 2.93Å; T62-L64 PolarHBondContact O-N 3.02Å
63S46.1Very low53.6Low102 Ų10275.8 Ų75.871%0.71348%0.482SS*.  trans-26.3107.4168.5-1790000109.5D61 S65D61-S63 PolarHBondContact O-N 2.91Å; S63-S65 PolarHBondContact O-N 2.94Å
64L51.2Low52.7Low75 Ų7581.5 Ų81.539%0.39351%0.507SS..  trans-69.341.4-174.8-60.6163.5000110.2P31 T62 C66P31-L64 HydrophobicContact CB-CD2 3.86Å; P31-L64 HydrophobicContact CG-CB 4.06Å; P31-L64 HydrophobicContact CG-CD2 3.43Å; P31-L64 VanDerWaalsContact CG-CD2 3.43Å; P31-L64 HydrophobicContact CG-CG 4.2Å; T62-L64 PolarHBondContact O-N 3.02Å; L64-C66 PolarHBondContact O-N 3.21Å
65S49.9Very low52Low71 Ų7188.2 Ų88.250%0.49753%0.533SS..  trans-63106.8176660000106.7S63 V67S63-S65 PolarHBondContact O-N 2.94Å; S65-V67 PolarHBondContact O-N 3.15Å
66C49.5Very low52.1Low9 Ų990 Ų906%0.06154%0.535CS..  trans-6688.7169.6-172.70000106.8Q29 L64 V68 R89Q29-C66 VanDerWaalsContact O-CA 3.26Å; Q29-C66 WeakPolarHBondContact O-CA 3.41Å; Q29-C66 PolarHBondContact O-SG 3.37Å; L64-C66 PolarHBondContact O-N 3.21Å; C66-V68 PolarHBondContact O-N 3.39Å; C66-R89 HydrophobicContact CB-CG 4.03Å
67V54.3Low52.7Low79 Ų7988 Ų8848%0.47951%0.511SS..  trans-72.9112.5177.9-177.90000107Q29 S65 T69Q29-V67 PolarHBondContact N-O 2.97Å; S65-V67 PolarHBondContact O-N 3.15Å; V67-T69 PolarHBondContact O-N 3.15Å
68V52.4Low53.9Low18 Ų1882.2 Ų82.211%0.10949%0.489CS..  trans-8698.1177.5-177.30000107.2L28 C66 V70 V85 R89L28-V68 HydrophobicContact CD2-CG2 3.83Å; L28-V68 HydrophobicContact CG-CG1 4.4Å; L28-V68 HydrophobicContact CG-CG2 4.09Å; C66-V68 PolarHBondContact O-N 3.39Å; V68-V70 HydrophobicContact CG1-CG2 3.6Å; V68-V70 PolarHBondContact O-N 2.98Å; V68-V85 HydrophobicContact CG1-CG1 4.37Å; V68-V85 HydrophobicContact CG2-CG1 3.62Å; V68-R89 VanDerWaalsContact CG2-NE 3.27Å
69T53Low55.2Low84 Ų8484.9 Ų84.952%0.51551%0.51SS..  trans-89.491.6166.3-47.30000108S27 V67 S71S27-T69 CarbonylContact O-C 3.07Å; V67-T69 PolarHBondContact O-N 3.15Å; T69-S71 PolarHBondContact O-N 3.28Å
70V55.8Low57.3Low27 Ų2781.8 Ų81.816%0.16448%0.484CS..  trans-72.5113.8170.4-171.20000107.6I26 V68 N72 M77I26-V70 HydrophobicContact CG2-CG1 4.22Å; V68-V70 HydrophobicContact CG1-CG2 3.6Å; V68-V70 PolarHBondContact O-N 2.98Å; V70-N72 PolarHBondContact O-N 2.98Å; V70-M77 HydrophobicContact CG1-CE 4.33Å; V70-M77 HydrophobicContact CG2-CE 3.47Å; V70-M77 VanDerWaalsContact CG2-CE 3.47Å
71S53.1Low59.6Low88 Ų8879.8 Ų79.862%0.61546%0.462SS*.THydrogen-bonded Turntrans-66.7-4.7-176.7-37.30000114.8T69T69-S71 PolarHBondContact O-N 3.28Å
72N50.3Low61.8Low135 Ų13575.8 Ų75.872%0.72244%0.438SS*.THydrogen-bonded Turntrans-140.742.6-171.2-87.734.5000114.3V70V70-N72 PolarHBondContact O-N 2.98Å
73G47.8Very low64.2Low49 Ų4973.1 Ų73.151%0.50542%0.417SS..  trans74.4138.6175.800000113.6E75G73-E75 VanDerWaalsContact C-N 3.27Å; G73-E75 PolarHBondContact O-N 2.76Å
74Q47.6Very low66.6Low153 Ų15368.3 Ų68.372%0.71538%0.383SS*.G310 helixtrans-72.9-18.8-175.5-66-167.4-62.200113.5E76Q74-E76 VanDerWaalsContact C-N 3.31Å; Q74-E76 PolarHBondContact O-N 3.49Å
75E52.3Low68.5Low201 Ų20165 Ų6594%0.93937%0.366SS*.G310 helixtrans-77.8-7-172-65.8-179.7170.500114.5G73G73-E75 VanDerWaalsContact C-N 3.27Å; G73-E75 PolarHBondContact O-N 2.76Å
76E64.9Low70.5Confident115 Ų11565.3 Ų65.354%0.53736%0.36SS..G310 helixtrans-106.74.8-178.6-76.5-159.1-173.400115.4R24 Q74 G78R24-E76 IonicContact CZ-OE2 3.83Å; R24-E76 IonicContact NE-OE2 3.77Å; R24-E76 PolarHBondContact NH1-O 2.8Å; R24-E76 IonicContact NH2-OE2 3.39Å; R24-E76 PolarHBondContact NH2-OE2 3.46Å; Q74-E76 VanDerWaalsContact C-N 3.31Å; Q74-E76 PolarHBondContact O-N 3.49Å; E76-G78 PolarHBondContact O-N 3.4Å
77M74.8Confident72.8Confident42 Ų4265.4 Ų65.421%0.20736%0.359CS..  trans-76119.1-177.5-165.1173.8-53.700110.9I26 V70 L81 Q82 V85I26-M77 HydrophobicContact CD1-CE 3.93Å; I26-M77 HydrophobicContact CD1-SD 3.97Å; I26-M77 HydrophobicContact CG2-CE 4.05Å; V70-M77 HydrophobicContact CG1-CE 4.33Å; V70-M77 HydrophobicContact CG2-CE 3.47Å; V70-M77 VanDerWaalsContact CG2-CE 3.47Å; M77-L81 HydrophobicContact CG-CB 3.5Å; M77-L81 HydrophobicContact SD-CB 3.98Å; M77-Q82 HydrophobicContact SD-CB 4.27Å; M77-V85 HydrophobicContact CE-CG2 4.34Å; M77-V85 HydrophobicContact SD-CG2 3.89Å
78G84.9Confident74.7Confident19 Ų1961.6 Ų61.620%0.19634%0.336CS..  trans-65156.7173.800000111.9E76 E80 L81 Q82E76-G78 PolarHBondContact O-N 3.4Å; G78-E80 VanDerWaalsContact C-N 3.27Å; G78-E80 PolarHBondContact O-N 3.38Å; G78-L81 PolarHBondContact O-N 3.23Å; G78-Q82 PolarHBondContact O-N 3.42Å; G78-Q82 VanDerWaalsContact O-N 3.08Å
79P90.4Very high76.5Confident77 Ų7765.6 Ų65.650%0.535%0.349SS..Hα-helixtrans-57.1-38.6-17221.7-33.4000112.9L81 Q82 H83P79-L81 PolarHBondContact O-N 2.98Å; P79-Q82 WeakPolarHBondContact O-CB 3.36Å; P79-Q82 PolarHBondContact O-N 3.01Å; P79-Q82 VanDerWaalsContact O-N 3.16Å; P79-H83 PolarHBondContact O-N 3.11Å
80E93.7Very high78.4Confident32 Ų3262.5 Ų62.515%0.1533%0.332CS..Hα-helixtrans-71.3-30.9-178.8-56.5-53.8149.900113.4V44 G78 H83 C84 P104 V105V44-E80 WeakPolarHBondContact CG2-O 3.26Å; G78-E80 VanDerWaalsContact C-N 3.27Å; G78-E80 PolarHBondContact O-N 3.38Å; E80-H83 IonicContact OE2-ND1 3.57Å; E80-C84 WeakPolarHBondContact O-CB 3.27Å; E80-C84 PolarHBondContact O-N 3.39Å; E80-C84 VanDerWaalsContact O-N 3.13Å; E80-P104 HydrophobicContact CB-CB 4.45Å; E80-P104 VanDerWaalsContact O-CB 3.31Å; E80-P104 WeakPolarHBondContact O-CB 3.12Å; E80-P104 VanDerWaalsContact OE2-CA 3.29Å; E80-P104 WeakPolarHBondContact OE2-CA 3.36Å; E80-V105 HydrophobicContact CG-CB 4.17Å; E80-V105 PolarHBondContact OE2-N 3.25Å
81L91.8Very high80.2Confident5 Ų561.2 Ų61.23%0.02632%0.324CS..Hα-helixtrans-71.6-35.8171.1-75.4176.9000110.8R24 I26 V37 M77 G78 P79 C84 V85R24-L81 HydrophobicContact CB-CD1 4.35Å; I26-L81 HydrophobicContact CD1-CB 4.34Å; I26-L81 HydrophobicContact CD1-CD2 4.3Å; I26-L81 HydrophobicContact CG1-CD2 4.42Å; I26-L81 HydrophobicContact CG2-CD1 4.38Å; V37-L81 HydrophobicContact CB-CD2 4.39Å; V37-L81 HydrophobicContact CG1-CD2 3.64Å; M77-L81 HydrophobicContact CG-CB 3.5Å; M77-L81 HydrophobicContact SD-CB 3.98Å; G78-L81 PolarHBondContact O-N 3.23Å; P79-L81 PolarHBondContact O-N 2.98Å; L81-C84 WeakPolarHBondContact O-CB 3.22Å; L81-C84 PolarHBondContact O-N 3.35Å; L81-V85 VanDerWaalsContact O-CG2 3.28Å; L81-V85 WeakPolarHBondContact O-CG2 3.34Å; L81-V85 PolarHBondContact O-N 2.92Å
82Q91.1Very high82Confident97 Ų9757 Ų5745%0.45330%0.295SS..Hα-helixtrans-64.6-48.8175.4-177.5177.8-13.300111.6M77 G78 P79 C84 V85 E86M77-Q82 HydrophobicContact SD-CB 4.27Å; G78-Q82 PolarHBondContact O-N 3.42Å; G78-Q82 VanDerWaalsContact O-N 3.08Å; P79-Q82 WeakPolarHBondContact O-CB 3.36Å; P79-Q82 PolarHBondContact O-N 3.01Å; P79-Q82 VanDerWaalsContact O-N 3.16Å; Q82-C84 VanDerWaalsContact C-N 3.27Å; Q82-C84 PolarHBondContact O-N 3.28Å; Q82-V85 WeakPolarHBondContact O-CB 3.27Å; Q82-V85 PolarHBondContact O-N 3.13Å; Q82-V85 VanDerWaalsContact O-N 3.08Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.45Å; Q82-E86 PolarHBondContact NE2-OE1 3.45Å; Q82-E86 WeakPolarHBondContact O-CG 3.46Å; Q82-E86 PolarHBondContact O-N 3.31Å
83H94.1Very high83.9Confident58 Ų5853.8 Ų53.827%0.26928%0.283SS..Hα-helixtrans-56.9-41.3174.4-66.7155.7000112P79 E80 V85 E86 W87 P104P79-H83 PolarHBondContact O-N 3.11Å; E80-H83 IonicContact OE2-ND1 3.57Å; H83-V85 PolarHBondContact O-N 2.82Å; H83-E86 PolarHBondContact O-N 3.37Å; H83-W87 VanDerWaalsContact O-CB 3.31Å; H83-W87 WeakPolarHBondContact O-CB 3.12Å; H83-W87 PolarHBondContact O-N 2.89Å; H83-P104 HydrophobicContact CB-CB 4.05Å
84C95.1Very high85.9Confident0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-60.5-44.5175.3-173.80000112.1V37 V44 E80 L81 Q82 W87 L88 P104V37-C84 HydrophobicContact CG1-CB 4.45Å; V44-C84 HydrophobicContact CG2-CB 3.81Å; E80-C84 WeakPolarHBondContact O-CB 3.27Å; E80-C84 PolarHBondContact O-N 3.39Å; E80-C84 VanDerWaalsContact O-N 3.13Å; L81-C84 WeakPolarHBondContact O-CB 3.22Å; L81-C84 PolarHBondContact O-N 3.35Å; Q82-C84 VanDerWaalsContact C-N 3.27Å; Q82-C84 PolarHBondContact O-N 3.28Å; C84-W87 PolarHBondContact O-N 3.49Å; C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.28Å; C84-L88 WeakPolarHBondContact O-CG 3.46Å; C84-L88 PolarHBondContact O-N 3.28Å; C84-P104 HydrophobicContact CB-CB 4.36Å; C84-P104 HydrophobicContact CB-CG 4.03Å
85V92.4Very high88Confident6 Ų649.2 Ų49.24%0.03625%0.249CC..Hα-helixtrans-63.8-46.2177.7167.90000111.5I26 L28 V68 M77 L81 Q82 H83 W87 L88 R89I26-V85 HydrophobicContact CD1-CG2 3.29Å; L28-V85 HydrophobicContact CD2-CG1 4.32Å; L28-V85 HydrophobicContact CD2-CG2 4.15Å; V68-V85 HydrophobicContact CG1-CG1 4.37Å; V68-V85 HydrophobicContact CG2-CG1 3.62Å; M77-V85 HydrophobicContact CE-CG2 4.34Å; M77-V85 HydrophobicContact SD-CG2 3.89Å; L81-V85 VanDerWaalsContact O-CG2 3.28Å; L81-V85 WeakPolarHBondContact O-CG2 3.34Å; L81-V85 PolarHBondContact O-N 2.92Å; Q82-V85 WeakPolarHBondContact O-CB 3.27Å; Q82-V85 PolarHBondContact O-N 3.13Å; Q82-V85 VanDerWaalsContact O-N 3.08Å; H83-V85 PolarHBondContact O-N 2.82Å; V85-W87 VanDerWaalsContact C-N 3.32Å; V85-W87 PolarHBondContact O-N 2.88Å; V85-L88 PolarHBondContact O-N 3.01Å; V85-R89 HydrophobicContact CG1-CG 4.48Å; V85-R89 WeakPolarHBondContact O-CB 3.4Å; V85-R89 WeakPolarHBondContact O-CG 3.32Å; V85-R89 PolarHBondContact O-N 2.88Å
86E92.5Very high89.8Confident77 Ų7743.1 Ų43.136%0.3622%0.218SC..Hα-helixtrans-59.6-45.2177.3-72.8171-171.900111Q82 H83 R89 A90Q82-E86 WeakPolarHBondContact CG-OE1 3.45Å; Q82-E86 PolarHBondContact NE2-OE1 3.45Å; Q82-E86 WeakPolarHBondContact O-CG 3.46Å; Q82-E86 PolarHBondContact O-N 3.31Å; H83-E86 PolarHBondContact O-N 3.37Å; E86-R89 PolarHBondContact O-N 2.9Å; E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 2.98Å
87W95.8Very high91.1Very high11 Ų1138.7 Ų38.74%0.04220%0.198CC..Hα-helixtrans-61.9-46.6175.9-167.9101.2000112.2H83 C84 V85 A90 Y91 V98 L163 L164H83-W87 VanDerWaalsContact O-CB 3.31Å; H83-W87 WeakPolarHBondContact O-CB 3.12Å; H83-W87 PolarHBondContact O-N 2.89Å; C84-W87 PolarHBondContact O-N 3.49Å; V85-W87 VanDerWaalsContact C-N 3.32Å; V85-W87 PolarHBondContact O-N 2.88Å; W87-A90 PolarHBondContact O-N 3.08Å; W87-Y91 HydrophobicContact CE3-CG 4.46Å; W87-Y91 AromaticContact CH2-CD2 3.54Å; W87-Y91 HydrophobicContact CH2-CD2 3.54Å; W87-Y91 HydrophobicContact CH2-CE2 4.2Å; W87-Y91 AromaticContact CH2-CG 3.86Å; W87-Y91 HydrophobicContact CH2-CG 3.86Å; W87-Y91 HydrophobicContact CZ2-CD2 4.29Å; W87-Y91 HydrophobicContact CZ3-CD1 4.37Å; W87-Y91 AromaticContact CZ3-CD2 3.88Å; W87-Y91 HydrophobicContact CZ3-CD2 3.88Å; W87-Y91 AromaticContact CZ3-CG 3.66Å; W87-Y91 HydrophobicContact CZ3-CG 3.66Å; W87-Y91 WeakPolarHBondContact O-CB 3.31Å; W87-Y91 PolarHBondContact O-N 3.2Å; W87-V98 HydrophobicContact CD2-CB 4.43Å; W87-V98 HydrophobicContact CZ2-CB 4.06Å; W87-V98 HydrophobicContact CZ2-CG1 4.48Å; W87-V98 HydrophobicContact CZ2-CG2 3.83Å; W87-L163 WeakPolarHBondContact CH2-O 3.26Å; W87-L163 HydrophobicContact CZ3-CB 4.2Å; W87-L164 HydrophobicContact CB-CD2 4.2Å; W87-L164 HydrophobicContact CD2-CD2 3.28Å; W87-L164 HydrophobicContact CE3-CD2 3.35Å; W87-L164 HydrophobicContact CE3-CG 4.26Å; W87-L164 HydrophobicContact CG-CD2 3.65Å; W87-L164 HydrophobicContact CH2-CD2 4.31Å; W87-L164 HydrophobicContact CZ2-CD2 4.25Å; W87-L164 HydrophobicContact CZ3-CD2 3.89Å; W87-L164 HydrophobicContact CZ3-CG 4.48Å
88L94.4Very high92Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-64.3-41.5-179.8-75170.5000112L28 I35 V37 C84 V85 Y91 F92 L163L28-L88 HydrophobicContact CD1-CD1 4.33Å; L28-L88 HydrophobicContact CD2-CB 4.25Å; L28-L88 HydrophobicContact CD2-CD1 4.02Å; I35-L88 HydrophobicContact CG2-CD1 4.37Å; V37-L88 HydrophobicContact CG2-CD1 3.88Å; C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.28Å; C84-L88 WeakPolarHBondContact O-CG 3.46Å; C84-L88 PolarHBondContact O-N 3.28Å; V85-L88 PolarHBondContact O-N 3.01Å; L88-Y91 PolarHBondContact O-N 3.21Å; L88-F92 HydrophobicContact CD2-CE2 4.34Å; L88-F92 WeakPolarHBondContact O-CD2 3.33Å; L88-F92 PolarHBondContact O-N 3.14Å; L88-F92 VanDerWaalsContact O-N 3.13Å; L88-L163 HydrophobicContact CD2-CB 4.32Å; L88-L163 HydrophobicContact CD2-CD1 3.75Å
89R91.5Very high92.3Very high101 Ų10139.6 Ų39.638%0.38122%0.217SC..Hα-helixtrans-58.2-52.9174.4-78.3173168.1170.5-1.9110.7C66 V68 V85 E86 Y91 F92 S93C66-R89 HydrophobicContact CB-CG 4.03Å; V68-R89 VanDerWaalsContact CG2-NE 3.27Å; V85-R89 HydrophobicContact CG1-CG 4.48Å; V85-R89 WeakPolarHBondContact O-CB 3.4Å; V85-R89 WeakPolarHBondContact O-CG 3.32Å; V85-R89 PolarHBondContact O-N 2.88Å; E86-R89 PolarHBondContact O-N 2.9Å; R89-Y91 VanDerWaalsContact C-N 3.31Å; R89-Y91 PolarHBondContact O-N 3.35Å; R89-F92 PolarHBondContact O-N 3.34Å; R89-S93 PolarHBondContact O-N 3.29Å; R89-S93 PolarHBondContact O-OG 3.13Å
90A92.4Very high92.4Very high19 Ų1945.3 Ų45.316%0.15723%0.229CC..Hα-helixtrans-60.8-40.1178.300000112.1E86 W87 F92 S93 E94 V98 L101E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 2.98Å; W87-A90 PolarHBondContact O-N 3.08Å; A90-F92 VanDerWaalsContact C-N 3.34Å; A90-F92 PolarHBondContact O-N 3.06Å; A90-S93 PolarHBondContact O-N 3.09Å; A90-E94 CarbonylContact O-C 3.58Å; A90-E94 WeakPolarHBondContact O-CA 3.47Å; A90-E94 PolarHBondContact O-N 2.85Å; A90-E94 VanDerWaalsContact O-O 3.08Å; A90-V98 HydrophobicContact CB-CG1 3.96Å; A90-L101 HydrophobicContact CB-CD1 3.35Å
91Y94.2Very high92.4Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-58.8-43.8178.3-179.8-100000112.4W87 L88 R89 P95 V98 L163 H168 L192 H195 E196W87-Y91 HydrophobicContact CE3-CG 4.46Å; W87-Y91 AromaticContact CH2-CD2 3.54Å; W87-Y91 HydrophobicContact CH2-CD2 3.54Å; W87-Y91 HydrophobicContact CH2-CE2 4.2Å; W87-Y91 AromaticContact CH2-CG 3.86Å; W87-Y91 HydrophobicContact CH2-CG 3.86Å; W87-Y91 HydrophobicContact CZ2-CD2 4.29Å; W87-Y91 HydrophobicContact CZ3-CD1 4.37Å; W87-Y91 AromaticContact CZ3-CD2 3.88Å; W87-Y91 HydrophobicContact CZ3-CD2 3.88Å; W87-Y91 AromaticContact CZ3-CG 3.66Å; W87-Y91 HydrophobicContact CZ3-CG 3.66Å; W87-Y91 WeakPolarHBondContact O-CB 3.31Å; W87-Y91 PolarHBondContact O-N 3.2Å; L88-Y91 PolarHBondContact O-N 3.21Å; R89-Y91 VanDerWaalsContact C-N 3.31Å; R89-Y91 PolarHBondContact O-N 3.35Å; Y91-P95 HydrophobicContact CD2-CB 4.38Å; Y91-P95 HydrophobicContact CE2-CB 4.5Å; Y91-P95 WeakPolarHBondContact O-CA 3.42Å; Y91-P95 WeakPolarHBondContact O-CB 3.43Å; Y91-V98 VanDerWaalsContact CA-CG1 3.43Å; Y91-V98 HydrophobicContact CD2-CG1 4.39Å; Y91-V98 VanDerWaalsContact N-CG1 3.34Å; Y91-L163 HydrophobicContact CE1-CD2 4.15Å; Y91-H168 PolarHBondContact OH-NE2 2.82Å; Y91-L192 HydrophobicContact CE1-CD2 3.65Å; Y91-L192 WeakPolarHBondContact OH-CD2 3.42Å; Y91-H195 PolarHBondContact O-NE2 3.22Å; Y91-E196 HydrophobicContact CE2-CG 4.18Å; Y91-E196 WeakPolarHBondContact CE2-OE1 3.37Å; Y91-E196 PolarHBondContact OH-OE1 3.19Å
92F91Very high92.4Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-80.8-29.1-178.7-70.8-62.1000113.8P31 L32 I35 L88 R89 A90 L163 W191 H195P31-F92 HydrophobicContact CG-CB 4.42Å; P31-F92 HydrophobicContact CG-CD1 3.94Å; P31-F92 HydrophobicContact CG-CG 4.3Å; L32-F92 HydrophobicContact CD1-CE1 4Å; L32-F92 HydrophobicContact CD1-CZ 3.87Å; L32-F92 HydrophobicContact CG-CE1 3.91Å; L32-F92 HydrophobicContact CG-CZ 4.07Å; I35-F92 HydrophobicContact CD1-CE2 3.66Å; I35-F92 HydrophobicContact CD1-CZ 3.77Å; L88-F92 HydrophobicContact CD2-CE2 4.34Å; L88-F92 WeakPolarHBondContact O-CD2 3.33Å; L88-F92 PolarHBondContact O-N 3.14Å; L88-F92 VanDerWaalsContact O-N 3.13Å; R89-F92 PolarHBondContact O-N 3.34Å; A90-F92 VanDerWaalsContact C-N 3.34Å; A90-F92 PolarHBondContact O-N 3.06Å; F92-L163 HydrophobicContact CE2-CD1 4.28Å; F92-L163 HydrophobicContact CZ-CD1 3.84Å; F92-W191 HydrophobicContact CD1-CH2 4.02Å; F92-W191 HydrophobicContact CD1-CZ3 4.17Å; F92-W191 HydrophobicContact CE1-CH2 4.26Å; F92-W191 HydrophobicContact CE1-CZ3 4Å; F92-H195 PolarHBondContact O-CE1 2.94Å
93S88.9Confident92.6Very high68 Ų6848.7 Ų48.748%0.47626%0.255SS..Hα-helixtrans-84.4-50.2178.8-59.50000112.3R89 A90R89-S93 PolarHBondContact O-N 3.29Å; R89-S93 PolarHBondContact O-OG 3.13Å; A90-S93 PolarHBondContact O-N 3.09Å
94E89.9Confident92.7Very high101 Ų10146.1 Ų46.147%0.47224%0.243SC..  trans-144.378.6-174.8-63.4171.4-133.500109.8A90 W96 T97A90-E94 CarbonylContact O-C 3.58Å; A90-E94 WeakPolarHBondContact O-CA 3.47Å; A90-E94 PolarHBondContact O-N 2.85Å; A90-E94 VanDerWaalsContact O-O 3.08Å; E94-W96 PolarHBondContact O-N 3.19Å; E94-T97 HydrophobicContact CB-CG2 3.61Å; E94-T97 WeakPolarHBondContact O-CB 3.47Å; E94-T97 WeakPolarHBondContact O-CG2 3.49Å; E94-T97 PolarHBondContact O-N 3.18Å; E94-T97 PolarHBondContact O-OG1 2.67Å; E94-T97 WeakPolarHBondContact OE2-CG2 3.35Å
95P91.2Very high92.8Very high5 Ų549.8 Ų49.83%0.03227%0.265CS..G310 helixtrans-57.1-27.2-167.919.3-31.3000114.1Y91 T97 V98 V130Y91-P95 HydrophobicContact CD2-CB 4.38Å; Y91-P95 HydrophobicContact CE2-CB 4.5Å; Y91-P95 WeakPolarHBondContact O-CA 3.42Å; Y91-P95 WeakPolarHBondContact O-CB 3.43Å; P95-T97 PolarHBondContact O-N 3.18Å; P95-V98 VanDerWaalsContact O-CG2 3.22Å; P95-V98 WeakPolarHBondContact O-CG2 3.2Å; P95-V98 PolarHBondContact O-N 2.9Å; P95-V130 HydrophobicContact CB-CG1 4.04Å
96W91.3Very high93Very high73 Ų7350.5 Ų50.528%0.27727%0.268SS..G310 helixtrans-64.1-25.1179.1-27.698.5000113.4E94 V130 E196 K197 V198 K199E94-W96 PolarHBondContact O-N 3.19Å; W96-V130 HydrophobicContact CE3-CG1 4.37Å; W96-E196 WeakPolarHBondContact CH2-O 3.35Å; W96-E196 WeakPolarHBondContact CZ3-O 3.32Å; W96-K197 VanDerWaalsContact CH2-C 3.48Å; W96-V198 VanDerWaalsContact CE2-O 3.23Å; W96-V198 VanDerWaalsContact CH2-C 3.5Å; W96-V198 HydrophobicContact CZ2-CB 4.41Å; W96-V198 WeakPolarHBondContact CZ2-O 3.35Å; W96-V198 PolarHBondContact NE1-O 3.07Å; W96-K199 HydrophobicContact CE3-CG 4.27Å; W96-K199 HydrophobicContact CH2-CG 4.1Å; W96-K199 HydrophobicContact CZ3-CG 3.9Å
97T91.9Very high93.3Very high22 Ų2249.5 Ų49.514%0.13526%0.263CS..G310 helixtrans-80.1-22.9-173.268.20000112.7E94 P95 G99 R100E94-T97 HydrophobicContact CB-CG2 3.61Å; E94-T97 WeakPolarHBondContact O-CB 3.47Å; E94-T97 WeakPolarHBondContact O-CG2 3.49Å; E94-T97 PolarHBondContact O-N 3.18Å; E94-T97 PolarHBondContact O-OG1 2.67Å; E94-T97 WeakPolarHBondContact OE2-CG2 3.35Å; P95-T97 PolarHBondContact O-N 3.18Å; T97-G99 PolarHBondContact O-N 2.79Å; T97-G99 VanDerWaalsContact O-N 3.1Å; T97-R100 VanDerWaalsContact CG2-NH2 3.29Å; T97-R100 WeakPolarHBondContact O-CB 3.32Å; T97-R100 PolarHBondContact O-N 3.23Å
98V93.3Very high93.3Very high7 Ų751 Ų514%0.04227%0.27CS..G310 helixtrans-64.9-20.7-172.2-52.10000113.8W87 A90 Y91 P95 R100 L101 V130W87-V98 HydrophobicContact CD2-CB 4.43Å; W87-V98 HydrophobicContact CZ2-CB 4.06Å; W87-V98 HydrophobicContact CZ2-CG1 4.48Å; W87-V98 HydrophobicContact CZ2-CG2 3.83Å; A90-V98 HydrophobicContact CB-CG1 3.96Å; Y91-V98 VanDerWaalsContact CA-CG1 3.43Å; Y91-V98 HydrophobicContact CD2-CG1 4.39Å; Y91-V98 VanDerWaalsContact N-CG1 3.34Å; P95-V98 VanDerWaalsContact O-CG2 3.22Å; P95-V98 WeakPolarHBondContact O-CG2 3.2Å; P95-V98 PolarHBondContact O-N 2.9Å; V98-R100 PolarHBondContact O-N 3.24Å; V98-L101 PolarHBondContact O-N 2.88Å; V98-V130 HydrophobicContact CG2-CG2 3.42Å; V98-V130 VanDerWaalsContact CG2-CG2 3.42Å
99G91.1Very high93.4Very high73 Ų7355.7 Ų55.775%0.75330%0.301SS*.G310 helixtrans-67.7-14.1173.200000113.7T97T97-G99 PolarHBondContact O-N 2.79Å; T97-G99 VanDerWaalsContact O-N 3.1Å
100R92.4Very high93.6Very high197 Ų19752.8 Ų52.874%0.74329%0.294SS*.G310 helixtrans-97-10175.3-58.9-175.2-72.5-113.99.9112.9T97 V98T97-R100 VanDerWaalsContact CG2-NH2 3.29Å; T97-R100 WeakPolarHBondContact O-CB 3.32Å; T97-R100 PolarHBondContact O-N 3.23Å; V98-R100 PolarHBondContact O-N 3.24Å
101L93.4Very high93.8Very high63 Ų6352.1 Ų52.133%0.3329%0.288SS..SBendtrans-91.9143.5-179.8-62.1179.7000110.4A90 V98 L103A90-L101 HydrophobicContact CB-CD1 3.35Å; V98-L101 PolarHBondContact O-N 2.88Å; L101-L103 PolarHBondContact O-N 2.94Å
102P92.4Very high93.7Very high77 Ų7756.3 Ų56.350%0.531%0.308SS..PPolyproline II helixtrans-63.7136171.128.5-33.4000109.7
103L95Very high93.8Very high65 Ų6559.2 Ų59.234%0.3434%0.338SS..PPolyproline II helixtrans-72.7144.1165.2-72.9172000109.1L101 V125 L164L101-L103 PolarHBondContact O-N 2.94Å; L103-V125 HydrophobicContact CD1-CG2 3.64Å; L103-L164 HydrophobicContact CD2-CD2 3.83Å
104P96.6Very high94Very high4 Ų462.2 Ų62.23%0.02635%0.348CS..PPolyproline II helixtrans-65.6153.9170.830.8-36.1000110.5V44 E80 H83 C84 F106 L164V44-P104 HydrophobicContact CG2-CB 3.73Å; V44-P104 HydrophobicContact CG2-CG 3.88Å; E80-P104 HydrophobicContact CB-CB 4.45Å; E80-P104 VanDerWaalsContact O-CB 3.31Å; E80-P104 WeakPolarHBondContact O-CB 3.12Å; E80-P104 VanDerWaalsContact OE2-CA 3.29Å; E80-P104 WeakPolarHBondContact OE2-CA 3.36Å; H83-P104 HydrophobicContact CB-CB 4.05Å; C84-P104 HydrophobicContact CB-CB 4.36Å; C84-P104 HydrophobicContact CB-CG 4.03Å; P104-F106 HydrophobicContact CG-CE1 4.16Å; P104-F106 PolarHBondContact O-N 3.41Å; P104-L164 HydrophobicContact CG-CD1 3.69Å; P104-L164 HydrophobicContact CG-CD2 4.5Å
105V97.2Very high94.4Very high76 Ų7660 Ų6046%0.46134%0.344SS..PPolyproline II helixtrans-61.5134167.4179.60000108.8N42 G43 V44 E80N42-V105 VanDerWaalsContact O-CG1 3.32Å; N42-V105 WeakPolarHBondContact O-CG1 3.03Å; G43-V105 CarbonylContact C-O 3.48Å; G43-V105 WeakPolarHBondContact CA-O 2.77Å; V44-V105 PolarHBondContact N-O 3.31Å; E80-V105 HydrophobicContact CG-CB 4.17Å; E80-V105 PolarHBondContact OE2-N 3.25Å
106F97.6Very high94.7Very high22 Ų2261.5 Ų61.510%0.09635%0.35CS..BIsolated β-bridgetrans-93.1135.1173.1-56.9-40.4000110.3P104 L111 H112 V161 L164 I165P104-F106 HydrophobicContact CG-CE1 4.16Å; P104-F106 PolarHBondContact O-N 3.41Å; F106-L111 HydrophobicContact CB-CB 4.43Å; F106-L111 HydrophobicContact CB-CD1 3.56Å; F106-L111 HydrophobicContact CD1-CD1 4.46Å; F106-L111 HydrophobicContact CD2-CD1 4.03Å; F106-L111 HydrophobicContact CG-CD1 3.77Å; F106-H112 PolarHBondContact O-CE1 2.72Å; F106-H112 PolarHBondContact O-NE2 3.01Å; F106-H112 VanDerWaalsContact O-NE2 3.07Å; F106-V161 HydrophobicContact CD1-CG2 4.28Å; F106-V161 HydrophobicContact CE1-CG2 4.17Å; F106-V161 HydrophobicContact CZ-CG2 4.49Å; F106-L164 HydrophobicContact CE1-CB 4.21Å; F106-L164 HydrophobicContact CE1-CD1 3.9Å; F106-L164 HydrophobicContact CZ-CB 4.19Å; F106-I165 HydrophobicContact CD2-CD1 4.5Å; F106-I165 HydrophobicContact CE2-CD1 4.21Å; F106-I165 HydrophobicContact CE2-CG1 4.11Å; F106-I165 HydrophobicContact CZ-CG1 4.23Å
107H96.8Very high95.1Very high56 Ų5659 Ų5926%0.25934%0.343SS..  trans-127.225.3179.6-165.6-118.2000112.8C40 N42 V44 H45 H112C40-H107 PolarHBondContact SG-ND1 3.48Å; C40-H107 VanDerWaalsContact SG-ND1 3.37Å; N42-H107 HydrophobicContact CB-CB 4.35Å; V44-H107 PolarHBondContact O-N 3.35Å; H45-H107 AromaticContact CE1-CG 3.95Å; H45-H107 AromaticContact CE1-ND1 3.15Å; H45-H107 PolarHBondContact CE1-ND1 3.35Å; H45-H107 PolarHBondContact CE1-O 3.11Å; H45-H107 PolarHBondContact ND1-O 2.86Å; H45-H107 AromaticContact NE2-CE1 3.99Å; H45-H107 AromaticContact NE2-CG 3.76Å; H45-H107 AromaticContact NE2-ND1 2.94Å; H45-H107 PolarHBondContact NE2-ND1 3.34Å; H107-H112 WeakPolarHBondContact CA-NE2 3.42Å
108H97.3Very high95.4Very high41 Ų4158 Ų5819%0.1934%0.336CS..  trans-89.7130.9175.1-167.1-79.7000111H45 T110 L111 H112 P160H45-H108 VanDerWaalsContact O-CB 3.32Å; H45-H108 WeakPolarHBondContact O-CB 3.42Å; H45-H108 PolarHBondContact O-CD2 3.43Å; H108-T110 VanDerWaalsContact C-N 3.26Å; H108-T110 PolarHBondContact CE1-OG1 3.48Å; H108-T110 VanDerWaalsContact ND1-CB 3.35Å; H108-T110 WeakPolarHBondContact ND1-CB 3.33Å; H108-T110 PolarHBondContact ND1-N 2.9Å; H108-T110 VanDerWaalsContact ND1-N 3.19Å; H108-T110 PolarHBondContact ND1-OG1 2.88Å; H108-T110 PolarHBondContact O-N 3.18Å; H108-L111 HydrophobicContact CB-CD1 4.06Å; H108-L111 HydrophobicContact CB-CG 4.24Å; H108-L111 WeakPolarHBondContact O-CB 3.34Å; H108-L111 PolarHBondContact O-N 3.34Å; H108-H112 PolarHBondContact O-CD2 3.19Å; H108-P160 HydrophobicContact CB-CB 4.16Å; H108-P160 HydrophobicContact CB-CG 3.78Å; H108-P160 VanDerWaalsContact CD2-CB 3.47Å; H108-P160 WeakPolarHBondContact CD2-CB 3.39Å
109P95.3Very high95.6Very high100 Ų10062.8 Ų62.865%0.64935%0.354SS*.G310 helixtrans-51.1-39.4-177.3-29.935.1000114.9L111 H112P109-L111 PolarHBondContact O-N 2.76Å; P109-L111 VanDerWaalsContact O-N 3.13Å; P109-H112 PolarHBondContact O-N 2.8Å; P109-H112 VanDerWaalsContact O-N 3.09Å
110T96.4Very high96Very high39 Ų3959.3 Ų59.324%0.23932%0.318CS..G310 helixtrans-56.4-25.3175.6-540000114.6H108 T117 S118 L121H108-T110 VanDerWaalsContact C-N 3.26Å; H108-T110 PolarHBondContact CE1-OG1 3.48Å; H108-T110 VanDerWaalsContact ND1-CB 3.35Å; H108-T110 WeakPolarHBondContact ND1-CB 3.33Å; H108-T110 PolarHBondContact ND1-N 2.9Å; H108-T110 VanDerWaalsContact ND1-N 3.19Å; H108-T110 PolarHBondContact ND1-OG1 2.88Å; H108-T110 PolarHBondContact O-N 3.18Å; T110-T117 HydrophobicContact CG2-CG2 3.63Å; T110-S118 WeakPolarHBondContact O-CA 3.48Å; T110-S118 WeakPolarHBondContact O-CB 3.41Å; T110-L121 HydrophobicContact CG2-CD1 4.04Å
111L96.7Very high96.3Very high6 Ų649.9 Ų49.93%0.03128%0.282CS..G310 helixtrans-93-4.1-177.4-59.9176.9000112.9F106 H108 P109 S118 L121 Q122 P160 V161 I165F106-L111 HydrophobicContact CB-CB 4.43Å; F106-L111 HydrophobicContact CB-CD1 3.56Å; F106-L111 HydrophobicContact CD1-CD1 4.46Å; F106-L111 HydrophobicContact CD2-CD1 4.03Å; F106-L111 HydrophobicContact CG-CD1 3.77Å; H108-L111 HydrophobicContact CB-CD1 4.06Å; H108-L111 HydrophobicContact CB-CG 4.24Å; H108-L111 WeakPolarHBondContact O-CB 3.34Å; H108-L111 PolarHBondContact O-N 3.34Å; P109-L111 PolarHBondContact O-N 2.76Å; P109-L111 VanDerWaalsContact O-N 3.13Å; L111-S118 PolarHBondContact O-OG 3.45Å; L111-L121 HydrophobicContact CD2-CB 3.96Å; L111-L121 HydrophobicContact CD2-CD1 3.66Å; L111-L121 HydrophobicContact CD2-CG 4.45Å; L111-Q122 PolarHBondContact O-NE2 3.05Å; L111-P160 HydrophobicContact CD1-CG 3.8Å; L111-P160 HydrophobicContact CD2-CG 4.19Å; L111-P160 HydrophobicContact CG-CG 3.86Å; L111-V161 HydrophobicContact CD1-CG2 3.8Å; L111-I165 HydrophobicContact CD1-CD1 3.95Å; L111-I165 HydrophobicContact CD2-CD1 3.33Å; L111-I165 HydrophobicContact CG-CD1 4.3Å
112H92.7Very high96.5Very high88 Ų8850.3 Ų50.341%0.40728%0.282SS..SBendtrans-111.4164.9177-56.5-69.2000111.1F106 H107 H108 P109F106-H112 PolarHBondContact O-CE1 2.72Å; F106-H112 PolarHBondContact O-NE2 3.01Å; F106-H112 VanDerWaalsContact O-NE2 3.07Å; H107-H112 WeakPolarHBondContact CA-NE2 3.42Å; H108-H112 PolarHBondContact O-CD2 3.19Å; P109-H112 PolarHBondContact O-N 2.8Å; P109-H112 VanDerWaalsContact O-N 3.09Å
113G92.4Very high96.8Very high61 Ų6147 Ų4763%0.62926%0.261SS*.SBendtrans74.1-170.4-176.500000113.6S118G113-S118 PolarHBondContact O-OG 2.94Å; G113-S118 VanDerWaalsContact O-OG 3.06Å
114D93.8Very high97Very high131 Ų13144 Ų4470%0.70125%0.245SC*.SBendtrans-106.911.9-166.169.8-23.4000113.7R119D114-R119 PolarHBondContact O-NH1 3.36Å
115S97.6Very high97.1Very high54 Ų5444.9 Ų44.938%0.37825%0.25SS..  trans-59.3149.3177.678.90000111.3T117 S118 R119S115-T117 PolarHBondContact O-N 3.29Å; S115-S118 WeakPolarHBondContact O-CB 3.21Å; S115-S118 PolarHBondContact O-N 2.71Å; S115-S118 VanDerWaalsContact O-N 3.1Å; S115-S118 WeakPolarHBondContact OG-CB 3.28Å; S115-S118 PolarHBondContact OG-N 2.8Å; S115-S118 VanDerWaalsContact OG-N 3.08Å; S115-R119 PolarHBondContact O-N 2.67Å
116F98.1Very high97.1Very high37 Ų3747.8 Ų47.816%0.16225%0.253CS..Hα-helixtrans-59.1-31.3175.4-175.5-109.4000112.2V120 A143 N145 A148 A151 V152F116-V120 HydrophobicContact CD1-CG2 4.01Å; F116-V120 HydrophobicContact CD2-CG2 4.35Å; F116-V120 HydrophobicContact CE1-CG2 3.57Å; F116-V120 HydrophobicContact CE2-CG2 3.95Å; F116-V120 HydrophobicContact CG-CG2 4.39Å; F116-V120 HydrophobicContact CZ-CG2 3.54Å; F116-V120 WeakPolarHBondContact O-CB 3.25Å; F116-V120 VanDerWaalsContact O-CG2 3.23Å; F116-V120 WeakPolarHBondContact O-CG2 3.34Å; F116-V120 PolarHBondContact O-N 2.95Å; F116-A143 HydrophobicContact CE2-CB 3.83Å; F116-A143 HydrophobicContact CZ-CB 4.21Å; F116-N145 HydrophobicContact CD2-CB 4.4Å; F116-N145 HydrophobicContact CE2-CB 3.71Å; F116-N145 HydrophobicContact CZ-CB 4.16Å; F116-A148 HydrophobicContact CD1-CB 4.41Å; F116-A148 HydrophobicContact CE1-CB 3.59Å; F116-A148 HydrophobicContact CE2-CB 4.32Å; F116-A148 HydrophobicContact CZ-CB 3.54Å; F116-A151 HydrophobicContact CD1-CB 3.9Å; F116-A151 HydrophobicContact CE1-CB 3.78Å; F116-V152 HydrophobicContact CE1-CG2 4.18Å; F116-V152 HydrophobicContact CZ-CG2 4.21Å
117T98.6Very high97.1Very high20 Ų2049.6 Ų49.612%0.12326%0.264CS..Hα-helixtrans-62.6-50.6174-57.50000111.3T110 S115 R119 V120 L121 A155 R158T110-T117 HydrophobicContact CG2-CG2 3.63Å; S115-T117 PolarHBondContact O-N 3.29Å; T117-R119 PolarHBondContact O-N 2.95Å; T117-V120 PolarHBondContact O-N 3.11Å; T117-L121 HydrophobicContact CG2-CD1 3.9Å; T117-L121 HydrophobicContact CG2-CG 4.42Å; T117-L121 WeakPolarHBondContact O-CG 3.4Å; T117-L121 PolarHBondContact O-N 2.84Å; T117-A155 HydrophobicContact CG2-CB 3.93Å; T117-R158 HydrophobicContact CG2-CB 4.41Å; T117-R158 PolarHBondContact OG1-NH2 3.48Å
118S98.3Very high97.1Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-56.3-50.8177.51760000110.3T110 L111 G113 S115 V120 L121 Q122T110-S118 WeakPolarHBondContact O-CA 3.48Å; T110-S118 WeakPolarHBondContact O-CB 3.41Å; L111-S118 PolarHBondContact O-OG 3.45Å; G113-S118 PolarHBondContact O-OG 2.94Å; G113-S118 VanDerWaalsContact O-OG 3.06Å; S115-S118 WeakPolarHBondContact O-CB 3.21Å; S115-S118 PolarHBondContact O-N 2.71Å; S115-S118 VanDerWaalsContact O-N 3.1Å; S115-S118 WeakPolarHBondContact OG-CB 3.28Å; S115-S118 PolarHBondContact OG-N 2.8Å; S115-S118 VanDerWaalsContact OG-N 3.08Å; S118-V120 PolarHBondContact O-N 2.69Å; S118-L121 PolarHBondContact O-N 3.34Å; S118-Q122 WeakPolarHBondContact O-CB 3.33Å; S118-Q122 VanDerWaalsContact O-CG 3.31Å; S118-Q122 WeakPolarHBondContact O-CG 3.32Å; S118-Q122 PolarHBondContact O-N 2.83Å; S118-Q122 PolarHBondContact OG-NE2 2.64Å; S118-Q122 VanDerWaalsContact OG-NE2 3.14Å
119R98.5Very high97.1Very high108 Ų10851.8 Ų51.841%0.40827%0.273SS..Hα-helixtrans-56.8-45.2177.3-72.1-162.2-68.5-97.7-4.3113.3D114 S115 T117 T123D114-R119 PolarHBondContact O-NH1 3.36Å; S115-R119 PolarHBondContact O-N 2.67Å; T117-R119 PolarHBondContact O-N 2.95Å; R119-T123 VanDerWaalsContact O-CB 3.23Å; R119-T123 WeakPolarHBondContact O-CB 3.44Å; R119-T123 PolarHBondContact O-N 3.12Å; R119-T123 PolarHBondContact O-OG1 2.76Å
120V98.8Very high97.1Very high0 Ų048.6 Ų48.60%025%0.251CS..Hα-helixtrans-62.1-46.8178.5166.20000111.2F116 T117 S118 T123 L124 L139 A143 V152 A155 M156F116-V120 HydrophobicContact CD1-CG2 4.01Å; F116-V120 HydrophobicContact CD2-CG2 4.35Å; F116-V120 HydrophobicContact CE1-CG2 3.57Å; F116-V120 HydrophobicContact CE2-CG2 3.95Å; F116-V120 HydrophobicContact CG-CG2 4.39Å; F116-V120 HydrophobicContact CZ-CG2 3.54Å; F116-V120 WeakPolarHBondContact O-CB 3.25Å; F116-V120 VanDerWaalsContact O-CG2 3.23Å; F116-V120 WeakPolarHBondContact O-CG2 3.34Å; F116-V120 PolarHBondContact O-N 2.95Å; T117-V120 PolarHBondContact O-N 3.11Å; S118-V120 PolarHBondContact O-N 2.69Å; V120-T123 PolarHBondContact O-N 3.19Å; V120-L124 WeakPolarHBondContact O-CB 3.23Å; V120-L124 PolarHBondContact O-N 3Å; V120-L139 HydrophobicContact CG1-CD2 3.96Å; V120-L139 HydrophobicContact CG1-CG 4.18Å; V120-A143 HydrophobicContact CB-CB 4.42Å; V120-A143 HydrophobicContact CG2-CB 3.56Å; V120-V152 HydrophobicContact CG1-CG1 4.03Å; V120-V152 HydrophobicContact CG2-CG2 4.12Å; V120-A155 HydrophobicContact CB-CB 4.04Å; V120-A155 HydrophobicContact CG1-CB 3.76Å; V120-M156 HydrophobicContact CG1-CE 3.51Å
121L98.8Very high97.1Very high0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-67.2-41.9-178.4-66.3175.8000111.7T110 L111 T117 S118 L124 V125 M156 N159 I165T110-L121 HydrophobicContact CG2-CD1 4.04Å; L111-L121 HydrophobicContact CD2-CB 3.96Å; L111-L121 HydrophobicContact CD2-CD1 3.66Å; L111-L121 HydrophobicContact CD2-CG 4.45Å; T117-L121 HydrophobicContact CG2-CD1 3.9Å; T117-L121 HydrophobicContact CG2-CG 4.42Å; T117-L121 WeakPolarHBondContact O-CG 3.4Å; T117-L121 PolarHBondContact O-N 2.84Å; S118-L121 PolarHBondContact O-N 3.34Å; L121-L124 PolarHBondContact O-N 3.48Å; L121-V125 WeakPolarHBondContact O-CG1 3.23Å; L121-V125 PolarHBondContact O-N 3.19Å; L121-V125 VanDerWaalsContact O-N 3.11Å; L121-M156 HydrophobicContact CD2-CE 3.75Å; L121-N159 HydrophobicContact CD2-CB 3.8Å; L121-I165 HydrophobicContact CB-CD1 4.19Å; L121-I165 HydrophobicContact CB-CG2 4.25Å; L121-I165 HydrophobicContact CD2-CG2 3.91Å
122Q98.3Very high97.1Very high71 Ų7152.6 Ų52.633%0.33228%0.278SS..Hα-helixtrans-64.7-42.1174.9-71179.17.800112.3L111 S118 L124 V125 R126L111-Q122 PolarHBondContact O-NE2 3.05Å; S118-Q122 WeakPolarHBondContact O-CB 3.33Å; S118-Q122 VanDerWaalsContact O-CG 3.31Å; S118-Q122 WeakPolarHBondContact O-CG 3.32Å; S118-Q122 PolarHBondContact O-N 2.83Å; S118-Q122 PolarHBondContact OG-NE2 2.64Å; S118-Q122 VanDerWaalsContact OG-NE2 3.14Å; Q122-L124 VanDerWaalsContact C-N 3.32Å; Q122-L124 PolarHBondContact O-N 2.96Å; Q122-V125 WeakPolarHBondContact O-CG1 3.48Å; Q122-R126 VanDerWaalsContact O-CB 3.27Å; Q122-R126 WeakPolarHBondContact O-CB 3.48Å; Q122-R126 PolarHBondContact O-N 2.97Å; Q122-R126 VanDerWaalsContact O-N 3.11Å
123T98.6Very high97.3Very high9 Ų951.9 Ų51.96%0.05528%0.28CS..Hα-helixtrans-61.4-44.4175.1-600000110.5R119 V120 R126 D127 L139 M142R119-T123 VanDerWaalsContact O-CB 3.23Å; R119-T123 WeakPolarHBondContact O-CB 3.44Å; R119-T123 PolarHBondContact O-N 3.12Å; R119-T123 PolarHBondContact O-OG1 2.76Å; V120-T123 PolarHBondContact O-N 3.19Å; T123-R126 PolarHBondContact O-N 3.1Å; T123-D127 WeakPolarHBondContact CG2-OD2 3.46Å; T123-D127 WeakPolarHBondContact O-CB 3.33Å; T123-D127 PolarHBondContact O-N 3.01Å; T123-L139 HydrophobicContact CG2-CD1 3.91Å; T123-M142 HydrophobicContact CG2-CB 3.62Å; T123-M142 HydrophobicContact CG2-CE 4Å
124L98.7Very high97.6Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-61.6-48.4-178.9177.660.3000112.5V120 L121 Q122 R126 V128 V134 L139 M156 I165 P166 C167 V170V120-L124 WeakPolarHBondContact O-CB 3.23Å; V120-L124 PolarHBondContact O-N 3Å; L121-L124 PolarHBondContact O-N 3.48Å; Q122-L124 VanDerWaalsContact C-N 3.32Å; Q122-L124 PolarHBondContact O-N 2.96Å; L124-R126 VanDerWaalsContact C-N 3.35Å; L124-V128 HydrophobicContact CD1-CB 3.87Å; L124-V128 HydrophobicContact CD1-CG1 4.38Å; L124-V128 HydrophobicContact CD1-CG2 3.69Å; L124-V128 WeakPolarHBondContact O-CB 3.47Å; L124-V128 PolarHBondContact O-N 3.28Å; L124-V134 HydrophobicContact CD1-CG1 4.1Å; L124-L139 HydrophobicContact CB-CD1 4.25Å; L124-L139 HydrophobicContact CB-CD2 4.27Å; L124-L139 HydrophobicContact CD1-CD2 4.2Å; L124-L139 HydrophobicContact CD2-CD2 4.45Å; L124-M156 HydrophobicContact CD2-CE 3.77Å; L124-M156 HydrophobicContact CD2-SD 3.62Å; L124-I165 HydrophobicContact CD2-CG2 4.04Å; L124-I165 HydrophobicContact CG-CG2 4.45Å; L124-P166 HydrophobicContact CD1-CG 4.23Å; L124-P166 HydrophobicContact CG-CG 4.02Å; L124-C167 HydrophobicContact CD2-CB 4.35Å; L124-V170 HydrophobicContact CD1-CG2 3.6Å; L124-V170 HydrophobicContact CD2-CG2 3.69Å; L124-V170 HydrophobicContact CG-CG2 4.31Å
125V98.1Very high97.8Very high23 Ų2344.6 Ų44.614%0.13923%0.229CC..Hα-helixtrans-69.5-32.5-179.465.10000112.9L103 L121 Q122 L164 I165L103-V125 HydrophobicContact CD1-CG2 3.64Å; L121-V125 WeakPolarHBondContact O-CG1 3.23Å; L121-V125 PolarHBondContact O-N 3.19Å; L121-V125 VanDerWaalsContact O-N 3.11Å; Q122-V125 WeakPolarHBondContact O-CG1 3.48Å; V125-L164 WeakPolarHBondContact CG2-O 3.44Å; V125-I165 HydrophobicContact CB-CG1 4Å; V125-I165 HydrophobicContact CG1-CG1 4.36Å; V125-I165 HydrophobicContact CG2-CG1 4.3Å
126R97.3Very high97.8Very high137 Ų13744.1 Ų44.152%0.51722%0.219SC..Hα-helixtrans-73.8-42.2179.4-174.3-172.964-141.1-7.8112.6Q122 T123 L124Q122-R126 VanDerWaalsContact O-CB 3.27Å; Q122-R126 WeakPolarHBondContact O-CB 3.48Å; Q122-R126 PolarHBondContact O-N 2.97Å; Q122-R126 VanDerWaalsContact O-N 3.11Å; T123-R126 PolarHBondContact O-N 3.1Å; L124-R126 VanDerWaalsContact C-N 3.35Å
127D97.9Very high97.8Very high60 Ų6047.9 Ų47.932%0.32124%0.235SC..Hα-helixtrans-110.2-12.8-161.4-59.2-28.5000114.8T123 M142T123-D127 WeakPolarHBondContact CG2-OD2 3.46Å; T123-D127 WeakPolarHBondContact O-CB 3.33Å; T123-D127 PolarHBondContact O-N 3.01Å; D127-M142 HydrophobicContact CB-CE 3.48Å; D127-M142 VanDerWaalsContact CB-CE 3.48Å
128V98Very high97.8Very high6 Ų653.3 Ų53.34%0.03625%0.253CS..  trans-115.3101-176.3-171.10000110.3L124 E132 V134 R169L124-V128 HydrophobicContact CD1-CB 3.87Å; L124-V128 HydrophobicContact CD1-CG1 4.38Å; L124-V128 HydrophobicContact CD1-CG2 3.69Å; L124-V128 WeakPolarHBondContact O-CB 3.47Å; L124-V128 PolarHBondContact O-N 3.28Å; V128-E132 HydrophobicContact CG1-CB 4.21Å; V128-V134 HydrophobicContact CG1-CB 4.39Å; V128-V134 HydrophobicContact CG1-CG1 4.31Å; V128-V134 HydrophobicContact CG2-CB 3.97Å; V128-V134 HydrophobicContact CG2-CG1 3.81Å; V128-R169 HydrophobicContact CG1-CB 3.95Å; V128-R169 PolarHBondContact O-NH1 3.08Å
129K96.3Very high97.8Very high138 Ų13853.3 Ų53.360%0.625%0.253SS*.  trans-82.5171.3-171.1-58.3175.6-177174.20112.1G131 E132 R169K129-G131 PolarHBondContact O-N 3.1Å; K129-E132 HydrophobicContact CB-CG 4.29Å; K129-E132 WeakPolarHBondContact CB-OE2 3.37Å; K129-E132 PolarHBondContact N-OE2 2.95Å; K129-E132 WeakPolarHBondContact O-CB 3.39Å; K129-E132 PolarHBondContact O-N 2.82Å; K129-E132 VanDerWaalsContact O-N 3.11Å; K129-R169 WeakPolarHBondContact O-CD 3.27Å; K129-R169 PolarHBondContact O-NE 2.82Å; K129-R169 PolarHBondContact O-NH1 3.11Å
130V96.4Very high97.8Very high32 Ų3248.1 Ų48.119%0.19423%0.234CC..THydrogen-bonded Turntrans-56133.6174.5174.70000110.1P95 W96 V98 E132 R169 E196P95-V130 HydrophobicContact CB-CG1 4.04Å; W96-V130 HydrophobicContact CE3-CG1 4.37Å; V98-V130 HydrophobicContact CG2-CG2 3.42Å; V98-V130 VanDerWaalsContact CG2-CG2 3.42Å; V130-E132 PolarHBondContact O-N 2.84Å; V130-R169 VanDerWaalsContact CG2-NH2 3.29Å; V130-E196 HydrophobicContact CG1-CB 4.11Å; V130-E196 HydrophobicContact CG1-CG 3.96Å
131G95.3Very high97.8Very high40 Ų4051.2 Ų51.241%0.41225%0.248SC..THydrogen-bonded Turntrans81.8-10.9-179.300000114K129 E196K129-G131 PolarHBondContact O-N 3.1Å; G131-E196 WeakPolarHBondContact CA-O 3.34Å; G131-E196 PolarHBondContact N-OE2 2.82Å
132E96.2Very high97.8Very high90 Ų9054 Ų5442%0.42126%0.262SS..  trans-89.2155.4174.4-60.1179.7158.500111.3V128 K129 V130 R169V128-E132 HydrophobicContact CG1-CB 4.21Å; K129-E132 HydrophobicContact CB-CG 4.29Å; K129-E132 WeakPolarHBondContact CB-OE2 3.37Å; K129-E132 PolarHBondContact N-OE2 2.95Å; K129-E132 WeakPolarHBondContact O-CB 3.39Å; K129-E132 PolarHBondContact O-N 2.82Å; K129-E132 VanDerWaalsContact O-N 3.11Å; V130-E132 PolarHBondContact O-N 2.84Å; E132-R169 WeakPolarHBondContact O-CD 3.29Å; E132-R169 WeakPolarHBondContact O-CG 3.31Å
133T97.9Very high97.8Very high73 Ų7351 Ų5145%0.44825%0.249SC..  trans-131.3153.1170.560.30000110.3R169 I171 L193T133-R169 WeakPolarHBondContact CA-O 3.18Å; T133-R169 WeakPolarHBondContact CB-O 3.35Å; T133-I171 HydrophobicContact CG2-CD1 4.25Å; T133-I171 HydrophobicContact CG2-CG2 4.49Å; T133-L193 HydrophobicContact CG2-CD2 3.69Å
134V98.3Very high97.8Very high12 Ų1253.6 Ų53.67%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-130.2143.4177.269.70000109.7L124 V128 R138 L139 M142 R169 V170 I171L124-V134 HydrophobicContact CD1-CG1 4.1Å; V128-V134 HydrophobicContact CG1-CB 4.39Å; V128-V134 HydrophobicContact CG1-CG1 4.31Å; V128-V134 HydrophobicContact CG2-CB 3.97Å; V128-V134 HydrophobicContact CG2-CG1 3.81Å; V134-R138 HydrophobicContact CG2-CB 3.84Å; V134-R138 HydrophobicContact CG2-CG 3.83Å; V134-L139 HydrophobicContact CG1-CB 4.22Å; V134-L139 HydrophobicContact CG1-CD2 4.35Å; V134-L139 HydrophobicContact CG2-CB 4.17Å; V134-M142 HydrophobicContact CG2-SD 3.93Å; V134-R169 PolarHBondContact N-O 2.9Å; V134-V170 HydrophobicContact CG1-CB 4.44Å; V134-V170 HydrophobicContact CG1-CG1 4.48Å; V134-V170 HydrophobicContact CG1-CG2 3.9Å; V134-V170 CarbonylContact O-C 3.56Å; V134-V170 VanDerWaalsContact O-CA 3.31Å; V134-V170 WeakPolarHBondContact O-CA 3.37Å; V134-I171 PolarHBondContact O-N 3.19Å
135S98.4Very high97.7Very high26 Ų2657 Ų5718%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-78.2151.6173.673.30000111.5K137 R138 L139 I171S135-K137 PolarHBondContact O-N 3.29Å; S135-R138 PolarHBondContact O-N 3Å; S135-R138 VanDerWaalsContact O-N 3.09Å; S135-R138 VanDerWaalsContact OG-CB 3.29Å; S135-R138 WeakPolarHBondContact OG-CB 3.33Å; S135-R138 PolarHBondContact OG-N 2.82Å; S135-L139 PolarHBondContact O-N 3.38Å; S135-I171 VanDerWaalsContact CA-O 3.26Å; S135-I171 WeakPolarHBondContact CA-O 3.26Å
136Y98.1Very high97.7Very high45 Ų4559.4 Ų59.418%0.17631%0.313CS..Hα-helixtrans-52.3-38.9171.6-69.5-84.8000112.8A140 V152 M156 V170 I171Y136-A140 WeakPolarHBondContact O-CB 3.29Å; Y136-A140 PolarHBondContact O-N 3.41Å; Y136-V152 HydrophobicContact CD1-CB 4.34Å; Y136-V152 HydrophobicContact CD1-CG1 3.86Å; Y136-M156 HydrophobicContact CE1-CG 4.12Å; Y136-V170 HydrophobicContact CD1-CG1 3.55Å; Y136-V170 HydrophobicContact CD2-CG1 4.17Å; Y136-V170 HydrophobicContact CE1-CB 4.45Å; Y136-V170 HydrophobicContact CE1-CG1 3.6Å; Y136-V170 HydrophobicContact CE2-CG1 4.21Å; Y136-V170 HydrophobicContact CG-CG1 3.84Å; Y136-I171 WeakPolarHBondContact CD2-O 3.07Å; Y136-I171 PolarHBondContact N-O 3.12Å; Y136-I171 VanDerWaalsContact N-O 3.12Å
137K97.9Very high97.7Very high115 Ų11564.2 Ų64.250%0.533%0.331SS..Hα-helixtrans-64.3-49.8177.4-178.7-176.6173.8-172.90110.7S135 L139 A140 E141 V149S135-K137 PolarHBondContact O-N 3.29Å; K137-L139 VanDerWaalsContact C-N 3.34Å; K137-L139 PolarHBondContact O-N 2.81Å; K137-A140 WeakPolarHBondContact O-CB 3.45Å; K137-A140 PolarHBondContact O-N 2.92Å; K137-A140 VanDerWaalsContact O-N 3.16Å; K137-E141 VanDerWaalsContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact CE-OE1 3.42Å; K137-E141 PolarHBondContact O-N 2.61Å; K137-E141 VanDerWaalsContact O-N 3.08Å; K137-V149 HydrophobicContact CB-CG2 4.35Å; K137-V149 HydrophobicContact CG-CG2 4.47Å
138R98.4Very high97.7Very high134 Ų13462 Ų6251%0.50632%0.321SS..Hα-helixtrans-64.3-40.5-178.6-17856.1-176.8162.31.9111.7V134 S135 A140 E141 M142V134-R138 HydrophobicContact CG2-CB 3.84Å; V134-R138 HydrophobicContact CG2-CG 3.83Å; S135-R138 PolarHBondContact O-N 3Å; S135-R138 VanDerWaalsContact O-N 3.09Å; S135-R138 VanDerWaalsContact OG-CB 3.29Å; S135-R138 WeakPolarHBondContact OG-CB 3.33Å; S135-R138 PolarHBondContact OG-N 2.82Å; R138-A140 VanDerWaalsContact C-N 3.3Å; R138-A140 PolarHBondContact O-N 3.08Å; R138-E141 WeakPolarHBondContact CD-OE2 3.36Å; R138-E141 IonicContact CZ-OE2 3.9Å; R138-E141 IonicContact NH1-OE2 2.92Å; R138-E141 PolarHBondContact NH1-OE2 2.91Å; R138-E141 WeakPolarHBondContact O-CB 3.36Å; R138-E141 PolarHBondContact O-N 2.82Å; R138-M142 HydrophobicContact CG-CG 4.42Å; R138-M142 HydrophobicContact CG-SD 3.93Å; R138-M142 VanDerWaalsContact O-CG 3.25Å; R138-M142 WeakPolarHBondContact O-CG 3.39Å; R138-M142 PolarHBondContact O-N 3.43Å
139L98.6Very high97.7Very high0 Ų064.5 Ų64.50%034%0.336CS..Hα-helixtrans-65.3-34.5176.1-174.857.2000112.1V120 T123 L124 V134 S135 K137 M142 A143 V152 M156 V170V120-L139 HydrophobicContact CG1-CD2 3.96Å; V120-L139 HydrophobicContact CG1-CG 4.18Å; T123-L139 HydrophobicContact CG2-CD1 3.91Å; L124-L139 HydrophobicContact CB-CD1 4.25Å; L124-L139 HydrophobicContact CB-CD2 4.27Å; L124-L139 HydrophobicContact CD1-CD2 4.2Å; L124-L139 HydrophobicContact CD2-CD2 4.45Å; V134-L139 HydrophobicContact CG1-CB 4.22Å; V134-L139 HydrophobicContact CG1-CD2 4.35Å; V134-L139 HydrophobicContact CG2-CB 4.17Å; S135-L139 PolarHBondContact O-N 3.38Å; K137-L139 VanDerWaalsContact C-N 3.34Å; K137-L139 PolarHBondContact O-N 2.81Å; L139-M142 PolarHBondContact O-N 3.21Å; L139-A143 VanDerWaalsContact O-CB 3.28Å; L139-A143 WeakPolarHBondContact O-CB 3.38Å; L139-A143 PolarHBondContact O-N 3.44Å; L139-V152 HydrophobicContact CB-CG1 4.25Å; L139-V152 HydrophobicContact CD2-CG1 3.71Å; L139-V152 HydrophobicContact CG-CG1 4.08Å; L139-M156 HydrophobicContact CD2-CE 4.11Å; L139-V170 HydrophobicContact CD2-CG1 4.14Å; L139-V170 HydrophobicContact CD2-CG2 3.65Å
140A98.6Very high97.7Very high0 Ų068.8 Ų68.80%035%0.348CS..Hα-helixtrans-63.7-41.8173.600000111.7Y136 K137 R138 A143 G144 N145 V149 V152Y136-A140 WeakPolarHBondContact O-CB 3.29Å; Y136-A140 PolarHBondContact O-N 3.41Å; K137-A140 WeakPolarHBondContact O-CB 3.45Å; K137-A140 PolarHBondContact O-N 2.92Å; K137-A140 VanDerWaalsContact O-N 3.16Å; R138-A140 VanDerWaalsContact C-N 3.3Å; R138-A140 PolarHBondContact O-N 3.08Å; A140-A143 PolarHBondContact O-N 2.88Å; A140-G144 PolarHBondContact O-N 3.42Å; A140-N145 CarbonylContact C-O 3.5Å; A140-N145 WeakPolarHBondContact CB-O 3.39Å; A140-N145 CarbonylContact O-C 3.54Å; A140-N145 PolarHBondContact O-N 3.4Å; A140-V149 HydrophobicContact CB-CG2 4.32Å; A140-V152 HydrophobicContact CB-CG2 3.61Å
141E98.5Very high97.8Very high64 Ų6469.2 Ų69.230%0.29936%0.355SS..Hα-helixtrans-62.2-49.1173.7-67.1165.2-172.300111.7K137 R138 A143 G144 P146K137-E141 VanDerWaalsContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact CE-OE1 3.42Å; K137-E141 PolarHBondContact O-N 2.61Å; K137-E141 VanDerWaalsContact O-N 3.08Å; R138-E141 WeakPolarHBondContact CD-OE2 3.36Å; R138-E141 IonicContact CZ-OE2 3.9Å; R138-E141 IonicContact NH1-OE2 2.92Å; R138-E141 PolarHBondContact NH1-OE2 2.91Å; R138-E141 WeakPolarHBondContact O-CB 3.36Å; R138-E141 PolarHBondContact O-N 2.82Å; E141-A143 VanDerWaalsContact C-N 3.25Å; E141-A143 PolarHBondContact O-N 2.98Å; E141-G144 PolarHBondContact O-N 3.32Å; E141-P146 HydrophobicContact CB-CG 4.4Å; E141-P146 HydrophobicContact CG-CB 3.73Å; E141-P146 HydrophobicContact CG-CG 3.93Å
142M98.4Very high97.9Very high58 Ų5867.3 Ų67.329%0.28634%0.336SS..Hα-helixtrans-60.6-35.4178.6-66.1162.569.800112.1T123 D127 V134 R138 L139 G144T123-M142 HydrophobicContact CG2-CB 3.62Å; T123-M142 HydrophobicContact CG2-CE 4Å; D127-M142 HydrophobicContact CB-CE 3.48Å; D127-M142 VanDerWaalsContact CB-CE 3.48Å; V134-M142 HydrophobicContact CG2-SD 3.93Å; R138-M142 HydrophobicContact CG-CG 4.42Å; R138-M142 HydrophobicContact CG-SD 3.93Å; R138-M142 VanDerWaalsContact O-CG 3.25Å; R138-M142 WeakPolarHBondContact O-CG 3.39Å; R138-M142 PolarHBondContact O-N 3.43Å; L139-M142 PolarHBondContact O-N 3.21Å; M142-G144 PolarHBondContact O-N 3.08Å
143A98.2Very high97.9Very high9 Ų963.7 Ų63.77%0.07432%0.322CS..THydrogen-bonded Turntrans-80.76.1176.300000113.9F116 V120 L139 A140 E141F116-A143 HydrophobicContact CE2-CB 3.83Å; F116-A143 HydrophobicContact CZ-CB 4.21Å; V120-A143 HydrophobicContact CB-CB 4.42Å; V120-A143 HydrophobicContact CG2-CB 3.56Å; L139-A143 VanDerWaalsContact O-CB 3.28Å; L139-A143 WeakPolarHBondContact O-CB 3.38Å; L139-A143 PolarHBondContact O-N 3.44Å; A140-A143 PolarHBondContact O-N 2.88Å; E141-A143 VanDerWaalsContact C-N 3.25Å; E141-A143 PolarHBondContact O-N 2.98Å
144G98Very high97.9Very high64 Ų6460.4 Ų60.466%0.6630%0.304SS*.THydrogen-bonded Turntrans85.511.1172.900000115.6A140 E141 M142A140-G144 PolarHBondContact O-N 3.42Å; E141-G144 PolarHBondContact O-N 3.32Å; M142-G144 PolarHBondContact O-N 3.08Å
145N97.8Very high97.8Very high71 Ų7159.9 Ų59.938%0.3830%0.3SS..  trans-141.586.8173.5-169.7-20000112F116 A140 R147 A148F116-N145 HydrophobicContact CD2-CB 4.4Å; F116-N145 HydrophobicContact CE2-CB 3.71Å; F116-N145 HydrophobicContact CZ-CB 4.16Å; A140-N145 CarbonylContact C-O 3.5Å; A140-N145 WeakPolarHBondContact CB-O 3.39Å; A140-N145 CarbonylContact O-C 3.54Å; A140-N145 PolarHBondContact O-N 3.4Å; N145-R147 PolarHBondContact O-N 3.49Å; N145-R147 PolarHBondContact OD1-N 3.1Å; N145-A148 HydrophobicContact CB-CB 3.82Å; N145-A148 VanDerWaalsContact CG-CB 3.49Å; N145-A148 WeakPolarHBondContact O-CB 3.39Å; N145-A148 PolarHBondContact O-N 3.49Å; N145-A148 PolarHBondContact OD1-N 2.93Å
146P97.3Very high97.8Very high74 Ų7459.5 Ų59.548%0.48130%0.296SS..THydrogen-bonded Turntrans-55.4-25.3-179.1-27.334.8000115.1E141E141-P146 HydrophobicContact CB-CG 4.4Å; E141-P146 HydrophobicContact CG-CB 3.73Å; E141-P146 HydrophobicContact CG-CG 3.93Å
147R97.6Very high97.7Very high237 Ų23766.1 Ų66.189%0.89432%0.321SS*.THydrogen-bonded Turntrans-85.7-10.3-179.1-62.5-176.1-177170.71.7112.9N145 V149N145-R147 PolarHBondContact O-N 3.49Å; N145-R147 PolarHBondContact OD1-N 3.1Å; R147-V149 VanDerWaalsContact C-N 3.3Å; R147-V149 PolarHBondContact O-N 2.98Å
148A97.6Very high97.6Very high15 Ų1566.4 Ų66.412%0.12432%0.318CS..  trans-9030.2-172.500000114.5F116 N145 R150 A151 V152F116-A148 HydrophobicContact CD1-CB 4.41Å; F116-A148 HydrophobicContact CE1-CB 3.59Å; F116-A148 HydrophobicContact CE2-CB 4.32Å; F116-A148 HydrophobicContact CZ-CB 3.54Å; N145-A148 HydrophobicContact CB-CB 3.82Å; N145-A148 VanDerWaalsContact CG-CB 3.49Å; N145-A148 WeakPolarHBondContact O-CB 3.39Å; N145-A148 PolarHBondContact O-N 3.49Å; N145-A148 PolarHBondContact OD1-N 2.93Å; A148-R150 VanDerWaalsContact C-N 3.31Å; A148-R150 PolarHBondContact O-N 3.32Å; A148-A151 HydrophobicContact CB-CB 4.16Å; A148-A151 WeakPolarHBondContact O-CA 3.43Å; A148-A151 WeakPolarHBondContact O-CB 3.43Å; A148-A151 PolarHBondContact O-N 3.38Å; A148-V152 PolarHBondContact O-N 3.47Å
149V97.4Very high97.5Very high57 Ų5760.8 Ų60.835%0.34530%0.299SS..Hα-helixtrans-54.1-43.8-176.8-173.20000112.5K137 A140 R147 A151 V152 G153K137-V149 HydrophobicContact CB-CG2 4.35Å; K137-V149 HydrophobicContact CG-CG2 4.47Å; A140-V149 HydrophobicContact CB-CG2 4.32Å; R147-V149 VanDerWaalsContact C-N 3.3Å; R147-V149 PolarHBondContact O-N 2.98Å; V149-A151 VanDerWaalsContact C-N 3.3Å; V149-A151 PolarHBondContact O-N 3.04Å; V149-V152 WeakPolarHBondContact O-CB 3.26Å; V149-V152 PolarHBondContact O-N 2.9Å; V149-G153 PolarHBondContact O-N 3.06Å
150R96.7Very high97.5Very high228 Ų22861.5 Ų61.586%0.8630%0.303SS*.Hα-helixtrans-64.4-35.6177.2-171177.4-175.2-179.31.6112.2A148 V152 G153 G154A148-R150 VanDerWaalsContact C-N 3.31Å; A148-R150 PolarHBondContact O-N 3.32Å; R150-V152 VanDerWaalsContact C-N 3.34Å; R150-G153 PolarHBondContact O-N 2.86Å; R150-G154 PolarHBondContact O-N 3.28Å; R150-G154 VanDerWaalsContact O-N 3.16Å
151A97.9Very high97.5Very high41 Ų4161.5 Ų61.534%0.33930%0.303SS..Hα-helixtrans-70.2-31.7178.500000111.8F116 A148 V149 G154 A155F116-A151 HydrophobicContact CD1-CB 3.9Å; F116-A151 HydrophobicContact CE1-CB 3.78Å; A148-A151 HydrophobicContact CB-CB 4.16Å; A148-A151 WeakPolarHBondContact O-CA 3.43Å; A148-A151 WeakPolarHBondContact O-CB 3.43Å; A148-A151 PolarHBondContact O-N 3.38Å; V149-A151 VanDerWaalsContact C-N 3.3Å; V149-A151 PolarHBondContact O-N 3.04Å; A151-G154 CarbonylContact O-C 3.54Å; A151-G154 WeakPolarHBondContact O-CA 3.35Å; A151-G154 PolarHBondContact O-N 2.91Å; A151-G154 VanDerWaalsContact O-N 3.13Å; A151-A155 PolarHBondContact O-N 2.94Å
152V98.3Very high97.4Very high0 Ų059.2 Ų59.20%029%0.294CS..Hα-helixtrans-59.2-46.6169.8178.60000110.7F116 V120 Y136 L139 A140 A148 V149 R150 G154 A155 M156F116-V152 HydrophobicContact CE1-CG2 4.18Å; F116-V152 HydrophobicContact CZ-CG2 4.21Å; V120-V152 HydrophobicContact CG1-CG1 4.03Å; V120-V152 HydrophobicContact CG2-CG2 4.12Å; Y136-V152 HydrophobicContact CD1-CB 4.34Å; Y136-V152 HydrophobicContact CD1-CG1 3.86Å; L139-V152 HydrophobicContact CB-CG1 4.25Å; L139-V152 HydrophobicContact CD2-CG1 3.71Å; L139-V152 HydrophobicContact CG-CG1 4.08Å; A140-V152 HydrophobicContact CB-CG2 3.61Å; A148-V152 PolarHBondContact O-N 3.47Å; V149-V152 WeakPolarHBondContact O-CB 3.26Å; V149-V152 PolarHBondContact O-N 2.9Å; R150-V152 VanDerWaalsContact C-N 3.34Å; V152-G154 PolarHBondContact O-N 3.06Å; V152-A155 WeakPolarHBondContact O-CA 3.45Å; V152-A155 WeakPolarHBondContact O-CB 3.43Å; V152-A155 PolarHBondContact O-N 3.13Å; V152-M156 HydrophobicContact CG1-CE 4.49Å; V152-M156 WeakPolarHBondContact O-CG 3.38Å; V152-M156 PolarHBondContact O-N 3.01Å
153G96.6Very high97.3Very high14 Ų1456.4 Ų56.414%0.14428%0.28CS..Hα-helixtrans-59-35.3174.400000113.1V149 R150 R157V149-G153 PolarHBondContact O-N 3.06Å; R150-G153 PolarHBondContact O-N 2.86Å; G153-R157 PolarHBondContact O-N 3.31Å
154G96.7Very high97.3Very high5 Ų556.1 Ų56.15%0.05228%0.277CS..Hα-helixtrans-65.7-41.1170.800000113.3R150 A151 V152 R157 R158R150-G154 PolarHBondContact O-N 3.28Å; R150-G154 VanDerWaalsContact O-N 3.16Å; A151-G154 CarbonylContact O-C 3.54Å; A151-G154 WeakPolarHBondContact O-CA 3.35Å; A151-G154 PolarHBondContact O-N 2.91Å; A151-G154 VanDerWaalsContact O-N 3.13Å; V152-G154 PolarHBondContact O-N 3.06Å; G154-R157 PolarHBondContact O-N 3.36Å; G154-R158 VanDerWaalsContact O-CZ 3.31Å; G154-R158 PolarHBondContact O-N 3.45Å; G154-R158 PolarHBondContact O-NH1 2.99Å
155A97.8Very high97.4Very high0 Ų053.1 Ų53.10%025%0.246CC..Hα-helixtrans-63.3-42.5176.800000111.5T117 V120 A151 V152 R157 R158 N159T117-A155 HydrophobicContact CG2-CB 3.93Å; V120-A155 HydrophobicContact CB-CB 4.04Å; V120-A155 HydrophobicContact CG1-CB 3.76Å; A151-A155 PolarHBondContact O-N 2.94Å; V152-A155 WeakPolarHBondContact O-CA 3.45Å; V152-A155 WeakPolarHBondContact O-CB 3.43Å; V152-A155 PolarHBondContact O-N 3.13Å; A155-R157 VanDerWaalsContact C-N 3.27Å; A155-R157 PolarHBondContact O-N 3.32Å; A155-R158 CarbonylContact O-C 3.59Å; A155-R158 PolarHBondContact O-N 3.44Å; A155-N159 PolarHBondContact O-N 2.88Å; A155-N159 VanDerWaalsContact O-N 3.09Å
156M97.7Very high97.4Very high19 Ų1949.9 Ų49.99%0.09423%0.229CC..Hα-helixtrans-58.7-38.2176.3-64-5498.200112.5V120 L121 L124 Y136 L139 V152 R158 N159 C167 V170V120-M156 HydrophobicContact CG1-CE 3.51Å; L121-M156 HydrophobicContact CD2-CE 3.75Å; L124-M156 HydrophobicContact CD2-CE 3.77Å; L124-M156 HydrophobicContact CD2-SD 3.62Å; Y136-M156 HydrophobicContact CE1-CG 4.12Å; L139-M156 HydrophobicContact CD2-CE 4.11Å; V152-M156 HydrophobicContact CG1-CE 4.49Å; V152-M156 WeakPolarHBondContact O-CG 3.38Å; V152-M156 PolarHBondContact O-N 3.01Å; M156-R158 VanDerWaalsContact C-N 3.28Å; M156-R158 PolarHBondContact O-N 3.09Å; M156-N159 WeakPolarHBondContact O-CB 3.49Å; M156-N159 PolarHBondContact O-N 2.71Å; M156-C167 HydrophobicContact CB-CB 4.29Å; M156-C167 HydrophobicContact CG-CB 4.4Å; M156-C167 HydrophobicContact SD-CB 3.45Å; M156-C167 WeakPolarHBondContact SD-CB 3.46Å; M156-V170 HydrophobicContact CG-CB 4.38Å; M156-V170 HydrophobicContact CG-CG1 4.47Å; M156-V170 HydrophobicContact CG-CG2 4.44Å; M156-V170 HydrophobicContact SD-CB 4.06Å; M156-V170 HydrophobicContact SD-CG2 3.53Å; M156-V170 VanDerWaalsContact SD-CG2 3.53Å
157R95.1Very high97.4Very high184 Ų18446.7 Ų46.769%0.69421%0.208SC*.Hα-helixtrans-70.1-23.4175.8-71.9-172.7-123.1112.80.2113.8G153 G154 A155G153-R157 PolarHBondContact O-N 3.31Å; G154-R157 PolarHBondContact O-N 3.36Å; A155-R157 VanDerWaalsContact C-N 3.27Å; A155-R157 PolarHBondContact O-N 3.32Å
158R95.9Very high97.4Very high120 Ų12035.4 Ų35.445%0.45317%0.166SC..THydrogen-bonded Turntrans-99.56.2179.8-68.3-173.6-62.5-89.2-2.7112.9T117 G154 A155 M156 P160T117-R158 HydrophobicContact CG2-CB 4.41Å; T117-R158 PolarHBondContact OG1-NH2 3.48Å; G154-R158 VanDerWaalsContact O-CZ 3.31Å; G154-R158 PolarHBondContact O-N 3.45Å; G154-R158 PolarHBondContact O-NH1 2.99Å; A155-R158 CarbonylContact O-C 3.59Å; A155-R158 PolarHBondContact O-N 3.44Å; M156-R158 VanDerWaalsContact C-N 3.28Å; M156-R158 PolarHBondContact O-N 3.09Å; R158-P160 WeakPolarHBondContact O-CD 3.4Å; R158-P160 VanDerWaalsContact O-N 3.14Å
159N97.8Very high97.4Very high17 Ų1735.3 Ų35.39%0.09116%0.162CC..  trans-62.2113.1175.5179.911.5000109.1L121 A155 M156 V161 I165 C167L121-N159 HydrophobicContact CD2-CB 3.8Å; A155-N159 PolarHBondContact O-N 2.88Å; A155-N159 VanDerWaalsContact O-N 3.09Å; M156-N159 WeakPolarHBondContact O-CB 3.49Å; M156-N159 PolarHBondContact O-N 2.71Å; N159-V161 VanDerWaalsContact C-N 3.31Å; N159-V161 PolarHBondContact OD1-N 3.37Å; N159-V161 VanDerWaalsContact OD1-N 3.1Å; N159-I165 PolarHBondContact ND2-O 3.17Å; N159-C167 PolarHBondContact ND2-SG 3.01Å
160P98.1Very high97.5Very high14 Ų1432.6 Ų32.69%0.09115%0.146CC..SBendtrans-78.6-18.6-177.433.7-35.1000112.4T46 I47 H108 L111 R158 P162T46-P160 CarbonylContact C-O 3.14Å; T46-P160 WeakPolarHBondContact CA-O 3.28Å; T46-P160 HydrophobicContact CG2-CB 4.37Å; I47-P160 PolarHBondContact N-O 2.78Å; H108-P160 HydrophobicContact CB-CB 4.16Å; H108-P160 HydrophobicContact CB-CG 3.78Å; H108-P160 VanDerWaalsContact CD2-CB 3.47Å; H108-P160 WeakPolarHBondContact CD2-CB 3.39Å; L111-P160 HydrophobicContact CD1-CG 3.8Å; L111-P160 HydrophobicContact CD2-CG 4.19Å; L111-P160 HydrophobicContact CG-CG 3.86Å; R158-P160 WeakPolarHBondContact O-CD 3.4Å; R158-P160 VanDerWaalsContact O-N 3.14Å; P160-P162 VanDerWaalsContact C-CD 3.46Å; P160-P162 WeakPolarHBondContact O-CD 3.45Å
161V98.3Very high97.5Very high0 Ų022.7 Ų22.70%011%0.11CC..SBendtrans-12864.5-174.1-66.80000110.9V44 I47 F106 L111 N159 I165V44-V161 HydrophobicContact CG1-CG1 3.9Å; I47-V161 HydrophobicContact CD1-CB 4.26Å; I47-V161 HydrophobicContact CG1-CB 4.24Å; I47-V161 HydrophobicContact CG1-CG1 4.26Å; F106-V161 HydrophobicContact CD1-CG2 4.28Å; F106-V161 HydrophobicContact CE1-CG2 4.17Å; F106-V161 HydrophobicContact CZ-CG2 4.49Å; L111-V161 HydrophobicContact CD1-CG2 3.8Å; N159-V161 VanDerWaalsContact C-N 3.31Å; N159-V161 PolarHBondContact OD1-N 3.37Å; N159-V161 VanDerWaalsContact OD1-N 3.1Å; V161-I165 HydrophobicContact CG2-CB 4.25Å; V161-I165 HydrophobicContact CG2-CD1 3.45Å; V161-I165 VanDerWaalsContact CG2-CD1 3.45Å; V161-I165 HydrophobicContact CG2-CG1 3.67Å; V161-I165 PolarHBondContact O-N 3.16Å
162P97.3Very high97.4Very high16 Ų1622.6 Ų22.610%0.10411%0.106CC..BIsolated β-bridgetrans-53159.417326-36.9000111.9I47 P160 L164I47-P162 HydrophobicContact CB-CG 4.16Å; I47-P162 WeakPolarHBondContact CD1-O 3.49Å; I47-P162 HydrophobicContact CG2-CG 4.17Å; I47-P162 VanDerWaalsContact O-CD 3.27Å; I47-P162 WeakPolarHBondContact O-CD 3.19Å; I47-P162 WeakPolarHBondContact O-CG 3.44Å; P160-P162 VanDerWaalsContact C-CD 3.46Å; P160-P162 WeakPolarHBondContact O-CD 3.45Å; P162-L164 PolarHBondContact O-N 3.26Å
163L96.6Very high97.1Very high0 Ų026.9 Ų26.90%014%0.136CC..THydrogen-bonded Turntrans73.4-61.4-169.3-48.7171.7000112.9L32 I35 I49 W87 L88 Y91 F92 L192L32-L163 HydrophobicContact CD1-CD1 4.32Å; L32-L163 HydrophobicContact CD1-CD2 4.08Å; I35-L163 HydrophobicContact CD1-CD1 3.82Å; I49-L163 HydrophobicContact CD1-CD1 4.3Å; I49-L163 HydrophobicContact CD1-CD2 4.48Å; I49-L163 HydrophobicContact CD1-CG 4.29Å; W87-L163 WeakPolarHBondContact CH2-O 3.26Å; W87-L163 HydrophobicContact CZ3-CB 4.2Å; L88-L163 HydrophobicContact CD2-CB 4.32Å; L88-L163 HydrophobicContact CD2-CD1 3.75Å; Y91-L163 HydrophobicContact CE1-CD2 4.15Å; F92-L163 HydrophobicContact CE2-CD1 4.28Å; F92-L163 HydrophobicContact CZ-CD1 3.84Å; L163-L192 HydrophobicContact CD2-CD1 3.77Å; L163-L192 HydrophobicContact CD2-CD2 3.61Å; L163-L192 HydrophobicContact CD2-CG 4.37Å
164L97.9Very high96.8Very high3 Ų329.4 Ų29.42%0.01616%0.162CC..THydrogen-bonded Turntrans-62-49.7176.5-71.6176.7000111.2I47 W87 L103 P104 F106 V125 P162 P166I47-L164 HydrophobicContact CD1-CB 4.4Å; I47-L164 HydrophobicContact CD1-CD1 3.54Å; I47-L164 HydrophobicContact CD1-CG 3.78Å; W87-L164 HydrophobicContact CB-CD2 4.2Å; W87-L164 HydrophobicContact CD2-CD2 3.28Å; W87-L164 HydrophobicContact CE3-CD2 3.35Å; W87-L164 HydrophobicContact CE3-CG 4.26Å; W87-L164 HydrophobicContact CG-CD2 3.65Å; W87-L164 HydrophobicContact CH2-CD2 4.31Å; W87-L164 HydrophobicContact CZ2-CD2 4.25Å; W87-L164 HydrophobicContact CZ3-CD2 3.89Å; W87-L164 HydrophobicContact CZ3-CG 4.48Å; L103-L164 HydrophobicContact CD2-CD2 3.83Å; P104-L164 HydrophobicContact CG-CD1 3.69Å; P104-L164 HydrophobicContact CG-CD2 4.5Å; F106-L164 HydrophobicContact CE1-CB 4.21Å; F106-L164 HydrophobicContact CE1-CD1 3.9Å; F106-L164 HydrophobicContact CZ-CB 4.19Å; V125-L164 WeakPolarHBondContact CG2-O 3.44Å; P162-L164 PolarHBondContact O-N 3.26Å; L164-P166 WeakPolarHBondContact O-CD 3.23Å
165I98.5Very high96.4Very high1 Ų131.6 Ų31.61%0.00518%0.184CC..BIsolated β-bridgetrans-92.5109.6163.5-62176.9000106.7F106 L111 L121 L124 V125 N159 V161 C167F106-I165 HydrophobicContact CD2-CD1 4.5Å; F106-I165 HydrophobicContact CE2-CD1 4.21Å; F106-I165 HydrophobicContact CE2-CG1 4.11Å; F106-I165 HydrophobicContact CZ-CG1 4.23Å; L111-I165 HydrophobicContact CD1-CD1 3.95Å; L111-I165 HydrophobicContact CD2-CD1 3.33Å; L111-I165 HydrophobicContact CG-CD1 4.3Å; L121-I165 HydrophobicContact CB-CD1 4.19Å; L121-I165 HydrophobicContact CB-CG2 4.25Å; L121-I165 HydrophobicContact CD2-CG2 3.91Å; L124-I165 HydrophobicContact CD2-CG2 4.04Å; L124-I165 HydrophobicContact CG-CG2 4.45Å; V125-I165 HydrophobicContact CB-CG1 4Å; V125-I165 HydrophobicContact CG1-CG1 4.36Å; V125-I165 HydrophobicContact CG2-CG1 4.3Å; N159-I165 PolarHBondContact ND2-O 3.17Å; V161-I165 HydrophobicContact CG2-CB 4.25Å; V161-I165 HydrophobicContact CG2-CD1 3.45Å; V161-I165 VanDerWaalsContact CG2-CD1 3.45Å; V161-I165 HydrophobicContact CG2-CG1 3.67Å; V161-I165 PolarHBondContact O-N 3.16Å; I165-C167 VanDerWaalsContact C-N 3.27Å; I165-C167 PolarHBondContact O-N 2.96Å
166P98Very high96.1Very high2 Ų238.1 Ų38.11%0.01322%0.215CC..  trans-83.963.3-160.935.1-40.2000112.5L124 L164 H168 R169L124-P166 HydrophobicContact CD1-CG 4.23Å; L124-P166 HydrophobicContact CG-CG 4.02Å; L164-P166 WeakPolarHBondContact O-CD 3.23Å; P166-H168 PolarHBondContact O-N 3.47Å; P166-H168 VanDerWaalsContact O-N 3.1Å; P166-R169 HydrophobicContact CB-CB 4.45Å; P166-R169 HydrophobicContact CB-CG 3.94Å; P166-R169 VanDerWaalsContact CB-CZ 3.46Å; P166-R169 WeakPolarHBondContact O-CB 3.31Å; P166-R169 PolarHBondContact O-N 3.25Å
167C97.8Very high95.7Very high8 Ų838.2 Ų38.25%0.05422%0.217CC..G310 helixtrans-62.8-17.1-179.258.30000113.8L124 M156 N159 I165 R169 V170L124-C167 HydrophobicContact CD2-CB 4.35Å; M156-C167 HydrophobicContact CB-CB 4.29Å; M156-C167 HydrophobicContact CG-CB 4.4Å; M156-C167 HydrophobicContact SD-CB 3.45Å; M156-C167 WeakPolarHBondContact SD-CB 3.46Å; N159-C167 PolarHBondContact ND2-SG 3.01Å; I165-C167 VanDerWaalsContact C-N 3.27Å; I165-C167 PolarHBondContact O-N 2.96Å; C167-R169 VanDerWaalsContact C-N 3.27Å; C167-R169 PolarHBondContact O-N 3.39Å; C167-V170 PolarHBondContact O-N 3.09Å
168H97.7Very high95.3Very high0 Ų030.8 Ų30.80%020%0.199CC..G310 helixtrans-68.8-21.7170.462.3-76.8000113.4Y91 P166 V170 Y180 K189 L192 E196Y91-H168 PolarHBondContact OH-NE2 2.82Å; P166-H168 PolarHBondContact O-N 3.47Å; P166-H168 VanDerWaalsContact O-N 3.1Å; H168-V170 VanDerWaalsContact C-N 3.3Å; H168-V170 PolarHBondContact O-N 3.16Å; H168-Y180 HydrophobicContact CB-CE2 4Å; H168-K189 HydrophobicContact CB-CG 4.02Å; H168-K189 WeakPolarHBondContact O-CE 3.49Å; H168-L192 HydrophobicContact CB-CB 4.34Å; H168-L192 HydrophobicContact CB-CD1 3.93Å; H168-E196 IonicContact CD2-OE1 3.77Å; H168-E196 IonicContact CE1-OE1 3.56Å; H168-E196 IonicContact NE2-OE1 2.71Å; H168-E196 PolarHBondContact NE2-OE1 2.87Å
169R98.2Very high95Very high13 Ų1331.3 Ų31.35%0.04921%0.208CC..G310 helixtrans-79-9.7175.8-62.5180-167.6144.110.9113.9V128 K129 V130 E132 T133 V134 P166 C167 I171 E196V128-R169 HydrophobicContact CG1-CB 3.95Å; V128-R169 PolarHBondContact O-NH1 3.08Å; K129-R169 WeakPolarHBondContact O-CD 3.27Å; K129-R169 PolarHBondContact O-NE 2.82Å; K129-R169 PolarHBondContact O-NH1 3.11Å; V130-R169 VanDerWaalsContact CG2-NH2 3.29Å; E132-R169 WeakPolarHBondContact O-CD 3.29Å; E132-R169 WeakPolarHBondContact O-CG 3.31Å; T133-R169 WeakPolarHBondContact CA-O 3.18Å; T133-R169 WeakPolarHBondContact CB-O 3.35Å; V134-R169 PolarHBondContact N-O 2.9Å; P166-R169 HydrophobicContact CB-CB 4.45Å; P166-R169 HydrophobicContact CB-CG 3.94Å; P166-R169 VanDerWaalsContact CB-CZ 3.46Å; P166-R169 WeakPolarHBondContact O-CB 3.31Å; P166-R169 PolarHBondContact O-N 3.25Å; C167-R169 VanDerWaalsContact C-N 3.27Å; C167-R169 PolarHBondContact O-N 3.39Å; R169-I171 PolarHBondContact O-N 3.03Å; R169-E196 IonicContact CZ-OE1 3.3Å; R169-E196 VanDerWaalsContact CZ-OE1 3.3Å; R169-E196 IonicContact CZ-OE2 3.56Å; R169-E196 VanDerWaalsContact NE-CD 3.35Å; R169-E196 IonicContact NE-OE1 3.01Å; R169-E196 PolarHBondContact NE-OE1 3.46Å; R169-E196 IonicContact NE-OE2 2.82Å; R169-E196 PolarHBondContact NE-OE2 3.47Å; R169-E196 IonicContact NH2-OE1 2.72Å; R169-E196 PolarHBondContact NH2-OE1 3.48Å; R169-E196 IonicContact NH2-OE2 3.55Å
170V98.3Very high94.6Very high0 Ų031 Ų310%021%0.205CC..EExtended strand (participates in β ladder)trans-87.5110.3179.1-171.90000110.4L124 V134 Y136 L139 M156 C167 H168 K189L124-V170 HydrophobicContact CD1-CG2 3.6Å; L124-V170 HydrophobicContact CD2-CG2 3.69Å; L124-V170 HydrophobicContact CG-CG2 4.31Å; V134-V170 HydrophobicContact CG1-CB 4.44Å; V134-V170 HydrophobicContact CG1-CG1 4.48Å; V134-V170 HydrophobicContact CG1-CG2 3.9Å; V134-V170 CarbonylContact O-C 3.56Å; V134-V170 VanDerWaalsContact O-CA 3.31Å; V134-V170 WeakPolarHBondContact O-CA 3.37Å; Y136-V170 HydrophobicContact CD1-CG1 3.55Å; Y136-V170 HydrophobicContact CD2-CG1 4.17Å; Y136-V170 HydrophobicContact CE1-CB 4.45Å; Y136-V170 HydrophobicContact CE1-CG1 3.6Å; Y136-V170 HydrophobicContact CE2-CG1 4.21Å; Y136-V170 HydrophobicContact CG-CG1 3.84Å; L139-V170 HydrophobicContact CD2-CG1 4.14Å; L139-V170 HydrophobicContact CD2-CG2 3.65Å; M156-V170 HydrophobicContact CG-CB 4.38Å; M156-V170 HydrophobicContact CG-CG1 4.47Å; M156-V170 HydrophobicContact CG-CG2 4.44Å; M156-V170 HydrophobicContact SD-CB 4.06Å; M156-V170 HydrophobicContact SD-CG2 3.53Å; M156-V170 VanDerWaalsContact SD-CG2 3.53Å; C167-V170 PolarHBondContact O-N 3.09Å; H168-V170 VanDerWaalsContact C-N 3.3Å; H168-V170 PolarHBondContact O-N 3.16Å; V170-K189 WeakPolarHBondContact O-CE 3.37Å; V170-K189 PolarHBondContact O-NZ 3.19Å
171I97.6Very high94Very high20 Ų2034 Ų3410%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-120.2172.3-172.165.4170.5000112.4T133 V134 S135 Y136 R169 L193T133-I171 HydrophobicContact CG2-CD1 4.25Å; T133-I171 HydrophobicContact CG2-CG2 4.49Å; V134-I171 PolarHBondContact O-N 3.19Å; S135-I171 VanDerWaalsContact CA-O 3.26Å; S135-I171 WeakPolarHBondContact CA-O 3.26Å; Y136-I171 WeakPolarHBondContact CD2-O 3.07Å; Y136-I171 PolarHBondContact N-O 3.12Å; Y136-I171 VanDerWaalsContact N-O 3.12Å; R169-I171 PolarHBondContact O-N 3.03Å; I171-L193 HydrophobicContact CG2-CD1 4.3Å
172S95.5Very high93.2Very high38 Ų3836.9 Ų36.927%0.26625%0.249SC..  trans-69.8153.5171.573.30000111.1G174 G175 Q176S172-G174 PolarHBondContact O-N 2.7Å; S172-G174 VanDerWaalsContact O-N 3.14Å; S172-G175 PolarHBondContact O-N 2.86Å; S172-Q176 WeakPolarHBondContact CB-O 2.94Å; S172-Q176 PolarHBondContact N-O 3.27Å; S172-Q176 WeakPolarHBondContact OG-CA 3.46Å; S172-Q176 WeakPolarHBondContact OG-CB 3.31Å; S172-Q176 PolarHBondContact OG-N 3.48Å; S172-Q176 VanDerWaalsContact OG-N 3.08Å; S172-Q176 PolarHBondContact OG-O 2.9Å
173S92.1Very high92.7Very high91 Ų9137.3 Ų37.364%0.63626%0.256SS*.THydrogen-bonded Turntrans-63-18.5176.3-52.40000113.7G175S173-G175 VanDerWaalsContact C-N 3.29Å
174G90.6Very high92.1Very high66 Ų6645.3 Ų45.368%0.6829%0.291SS*.THydrogen-bonded Turntrans-87.312.4174.700000114.1S172 Q176S172-G174 PolarHBondContact O-N 2.7Å; S172-G174 VanDerWaalsContact O-N 3.14Å; G174-Q176 VanDerWaalsContact C-N 3.26Å; G174-Q176 PolarHBondContact O-N 2.85Å
175G88.4Confident91.6Very high51 Ų5145.2 Ų45.253%0.52629%0.29SS..SBendtrans82.6-9.6176.900000115.2S172 S173S172-G175 PolarHBondContact O-N 2.86Å; S173-G175 VanDerWaalsContact C-N 3.29Å
176Q91.9Very high91.3Very high138 Ų13847.9 Ų47.965%0.64530%0.304SS*.  trans-70.1136.1175.1-57.6-60.5-49.700110.5S172 G174 G178S172-Q176 WeakPolarHBondContact CB-O 2.94Å; S172-Q176 PolarHBondContact N-O 3.27Å; S172-Q176 WeakPolarHBondContact OG-CA 3.46Å; S172-Q176 WeakPolarHBondContact OG-CB 3.31Å; S172-Q176 PolarHBondContact OG-N 3.48Å; S172-Q176 VanDerWaalsContact OG-N 3.08Å; S172-Q176 PolarHBondContact OG-O 2.9Å; G174-Q176 VanDerWaalsContact C-N 3.26Å; G174-Q176 PolarHBondContact O-N 2.85Å; Q176-G178 PolarHBondContact O-N 3.43Å
177S88.9Confident90.9Very high20 Ų2050.9 Ų50.914%0.1432%0.318CS..  trans-57.4-35.7-178.460.40000112.4K189S177-K189 WeakPolarHBondContact O-CE 3.41Å; S177-K189 PolarHBondContact O-NZ 3.07Å
178G87.1Confident90.5Very high29 Ų2950.5 Ų50.530%0.29932%0.316SS..  trans72.8-172.6-17900000113.2Q176Q176-G178 PolarHBondContact O-N 3.43Å
179M88.1Confident90.4Very high130 Ų13050.6 Ų50.664%0.6432%0.316SS*.  trans-70.7147.8-172.8-63.4-17880.300113.3N186M179-N186 WeakPolarHBondContact CA-OD1 3.43Å
180Y90.4Very high90.2Very high12 Ų1255.2 Ų55.25%0.04734%0.338CS..  trans-141.6138.9173.9-160.9-117.7000111.5H168 G182 G183 G185 N186 L188 K189H168-Y180 HydrophobicContact CB-CE2 4Å; Y180-G182 VanDerWaalsContact C-N 3.28Å; Y180-G182 PolarHBondContact O-N 3.43Å; Y180-G183 CarbonylContact O-C 3.53Å; Y180-G183 WeakPolarHBondContact O-CA 3.11Å; Y180-G183 PolarHBondContact O-N 3.21Å; Y180-G185 VanDerWaalsContact CD1-O 3.29Å; Y180-G185 WeakPolarHBondContact CD1-O 3.4Å; Y180-G185 PolarHBondContact O-N 3.4Å; Y180-G185 VanDerWaalsContact O-N 3.15Å; Y180-N186 PolarHBondContact N-OD1 3.24Å; Y180-L188 HydrophobicContact CD1-CB 4.43Å; Y180-L188 HydrophobicContact CE1-CB 4.45Å; Y180-K189 HydrophobicContact CD1-CB 4.06Å; Y180-K189 HydrophobicContact CD2-CB 4.26Å; Y180-K189 HydrophobicContact CD2-CD 3.92Å; Y180-K189 HydrophobicContact CD2-CG 4.39Å; Y180-K189 HydrophobicContact CG-CB 3.78Å; Y180-K189 HydrophobicContact CG-CD 4.05Å; Y180-K189 HydrophobicContact CG-CG 4.37Å
181M85.4Confident89.9Confident77 Ų7757.5 Ų57.538%0.37935%0.347SS..G310 helixtrans46.848.6179.1-60.3175.377.800113.2I49 M51 G183 K184I49-M181 HydrophobicContact CB-CE 4.46Å; M51-M181 HydrophobicContact CE-CE 3.98Å; M51-M181 HydrophobicContact SD-CE 4.16Å; M51-M181 HydrophobicContact SD-SD 4.14Å; M181-G183 VanDerWaalsContact C-N 3.25Å; M181-G183 PolarHBondContact O-N 3.29Å; M181-K184 PolarHBondContact O-N 3.45Å
182G81.9Confident89.8Confident60 Ų6056.6 Ų56.662%0.61934%0.342SS*.G310 helixtrans6918.9-178.400000114.9Y180Y180-G182 VanDerWaalsContact C-N 3.28Å; Y180-G182 PolarHBondContact O-N 3.43Å
183G85.1Confident89.8Confident25 Ų2556 Ų5626%0.25834%0.336SS..G310 helixtrans96.2-24.9-178.700000113.6Y180 M181 G185 N186Y180-G183 CarbonylContact O-C 3.53Å; Y180-G183 WeakPolarHBondContact O-CA 3.11Å; Y180-G183 PolarHBondContact O-N 3.21Å; M181-G183 VanDerWaalsContact C-N 3.25Å; M181-G183 PolarHBondContact O-N 3.29Å; G183-G185 PolarHBondContact O-N 3.39Å; G183-N186 VanDerWaalsContact O-CG 3.29Å; G183-N186 PolarHBondContact O-N 3.4Å; G183-N186 PolarHBondContact O-ND2 3.26Å; G183-N186 PolarHBondContact O-OD1 3.01Å
184K84.7Confident89.8Confident168 Ų16855.9 Ų55.973%0.7333%0.331SS*.THydrogen-bonded Turntrans-68.5-19.7179.7-63.3-176179.8-1770113.4M181 H187M181-K184 PolarHBondContact O-N 3.45Å; K184-H187 PolarHBondContact O-CE1 3.27Å; K184-H187 PolarHBondContact O-ND1 3.01Å
185G88Confident89.9Confident0 Ų053.8 Ų53.80%030%0.304CS..THydrogen-bonded Turntrans-105.913.8-177.400000114.7Y180 G183 H187 L188 K189Y180-G185 VanDerWaalsContact CD1-O 3.29Å; Y180-G185 WeakPolarHBondContact CD1-O 3.4Å; Y180-G185 PolarHBondContact O-N 3.4Å; Y180-G185 VanDerWaalsContact O-N 3.15Å; G183-G185 PolarHBondContact O-N 3.39Å; G185-H187 VanDerWaalsContact C-N 3.26Å; G185-H187 PolarHBondContact O-N 3.22Å; G185-L188 WeakPolarHBondContact O-CB 3.3Å; G185-L188 PolarHBondContact O-N 2.8Å; G185-K189 PolarHBondContact O-N 3.33Å
186N91.6Very high90.2Very high57 Ų5751.5 Ų51.531%0.30528%0.28SS..Hα-helixtrans-59.2-37.8-174.9-70.9-5.8000112.6M179 Y180 G183 K189 Q190M179-N186 WeakPolarHBondContact CA-OD1 3.43Å; Y180-N186 PolarHBondContact N-OD1 3.24Å; G183-N186 VanDerWaalsContact O-CG 3.29Å; G183-N186 PolarHBondContact O-N 3.4Å; G183-N186 PolarHBondContact O-ND2 3.26Å; G183-N186 PolarHBondContact O-OD1 3.01Å; N186-K189 PolarHBondContact O-N 3.35Å; N186-Q190 PolarHBondContact O-N 3.11Å; N186-Q190 VanDerWaalsContact O-N 3.07Å
187H89.2Confident90Very high66 Ų6652.3 Ų52.331%0.30628%0.281SS..Hα-helixtrans-67-34.6174.461.9-64.9000112.4R58 K184 G185 Q190 W191R58-H187 PolarHBondContact NH1-CD2 3.06Å; R58-H187 PolarHBondContact NH1-NE2 2.86Å; K184-H187 PolarHBondContact O-CE1 3.27Å; K184-H187 PolarHBondContact O-ND1 3.01Å; G185-H187 VanDerWaalsContact C-N 3.26Å; G185-H187 PolarHBondContact O-N 3.22Å; H187-Q190 PolarHBondContact O-N 3.17Å; H187-W191 WeakPolarHBondContact O-CB 3.44Å; H187-W191 PolarHBondContact O-N 3.07Å
188L90.9Very high89.1Confident0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-64.1-43.8173.3-79.281.6000110.6L32 I49 M51 R58 Y180 G185 Q190 W191 L192L32-L188 HydrophobicContact CB-CD2 4.13Å; L32-L188 HydrophobicContact CD1-CD2 4.42Å; L32-L188 HydrophobicContact CD2-CD2 4.3Å; L32-L188 HydrophobicContact CD2-CG 4.31Å; I49-L188 HydrophobicContact CG2-CD2 3.78Å; M51-L188 HydrophobicContact CG-CD1 4.08Å; M51-L188 HydrophobicContact CG-CD2 3.77Å; M51-L188 HydrophobicContact SD-CD1 3.62Å; M51-L188 HydrophobicContact SD-CD2 4Å; M51-L188 HydrophobicContact SD-CG 4.5Å; R58-L188 VanDerWaalsContact NH1-CD1 3.27Å; Y180-L188 HydrophobicContact CD1-CB 4.43Å; Y180-L188 HydrophobicContact CE1-CB 4.45Å; G185-L188 WeakPolarHBondContact O-CB 3.3Å; G185-L188 PolarHBondContact O-N 2.8Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 2.94Å; L188-W191 PolarHBondContact O-N 3.16Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.29Å
189K94.8Very high88.1Confident1 Ų162.4 Ų62.40%0.00432%0.322CS..Hα-helixtrans-60.4-43177.8-175.1169.2-170.4177.50111.5H168 V170 S177 Y180 G185 N186 L192 L193H168-K189 HydrophobicContact CB-CG 4.02Å; H168-K189 WeakPolarHBondContact O-CE 3.49Å; V170-K189 WeakPolarHBondContact O-CE 3.37Å; V170-K189 PolarHBondContact O-NZ 3.19Å; S177-K189 WeakPolarHBondContact O-CE 3.41Å; S177-K189 PolarHBondContact O-NZ 3.07Å; Y180-K189 HydrophobicContact CD1-CB 4.06Å; Y180-K189 HydrophobicContact CD2-CB 4.26Å; Y180-K189 HydrophobicContact CD2-CD 3.92Å; Y180-K189 HydrophobicContact CD2-CG 4.39Å; Y180-K189 HydrophobicContact CG-CB 3.78Å; Y180-K189 HydrophobicContact CG-CD 4.05Å; Y180-K189 HydrophobicContact CG-CG 4.37Å; G185-K189 PolarHBondContact O-N 3.33Å; N186-K189 PolarHBondContact O-N 3.35Å; K189-L192 PolarHBondContact O-N 3.2Å; K189-L193 HydrophobicContact CG-CD1 4.13Å; K189-L193 WeakPolarHBondContact O-CB 3.37Å; K189-L193 VanDerWaalsContact O-CG 3.23Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.31Å
190Q93.4Very high86.3Confident111 Ų11163.5 Ų63.552%0.51933%0.325SS..Hα-helixtrans-63.5-47.1175.2-73.2173.9-21.400111.6N186 H187 L188 L192 L193 T194N186-Q190 PolarHBondContact O-N 3.11Å; N186-Q190 VanDerWaalsContact O-N 3.07Å; H187-Q190 PolarHBondContact O-N 3.17Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 2.94Å; Q190-L192 VanDerWaalsContact C-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.24Å; Q190-L193 PolarHBondContact O-N 3.46Å; Q190-T194 PolarHBondContact O-N 3.14Å; Q190-T194 PolarHBondContact O-OG1 3.08Å
191W92.1Very high84.2Confident48 Ų4871.9 Ų71.918%0.18237%0.365CS..Hα-helixtrans-56.4-46.6176.4-174.496.4000111.4P31 L32 F92 H187 L188 L193 T194 H195P31-W191 HydrophobicContact CB-CH2 3.65Å; P31-W191 HydrophobicContact CB-CZ2 3.52Å; P31-W191 HydrophobicContact CG-CH2 4.08Å; P31-W191 HydrophobicContact CG-CZ2 4.25Å; L32-W191 HydrophobicContact CD2-CD2 4.03Å; L32-W191 HydrophobicContact CD2-CE3 3.47Å; L32-W191 VanDerWaalsContact CD2-CE3 3.47Å; L32-W191 HydrophobicContact CD2-CZ3 3.84Å; L32-W191 HydrophobicContact CG-CZ3 4.49Å; F92-W191 HydrophobicContact CD1-CH2 4.02Å; F92-W191 HydrophobicContact CD1-CZ3 4.17Å; F92-W191 HydrophobicContact CE1-CH2 4.26Å; F92-W191 HydrophobicContact CE1-CZ3 4Å; H187-W191 WeakPolarHBondContact O-CB 3.44Å; H187-W191 PolarHBondContact O-N 3.07Å; L188-W191 PolarHBondContact O-N 3.16Å; W191-L193 PolarHBondContact O-N 3.22Å; W191-T194 PolarHBondContact O-N 3.05Å; W191-T194 VanDerWaalsContact O-N 3.17Å; W191-H195 HydrophobicContact CE3-CB 4.1Å; W191-H195 HydrophobicContact CH2-CB 4.05Å; W191-H195 AromaticContact CH2-CG 3.78Å; W191-H195 AromaticContact CH2-ND1 3.76Å; W191-H195 HydrophobicContact CZ3-CB 3.79Å; W191-H195 AromaticContact CZ3-CG 3.82Å; W191-H195 WeakPolarHBondContact O-CB 3.48Å; W191-H195 PolarHBondContact O-N 2.7Å
192L94.8Very high81.9Confident0 Ų079.5 Ų79.50%041%0.408CS..Hα-helixtrans-63-42.9178.8-72.3165000112.3L32 Y91 L163 H168 L188 K189 Q190 T194 H195 E196L32-L192 HydrophobicContact CD1-CD1 4.34Å; L32-L192 HydrophobicContact CD1-CD2 4.03Å; L32-L192 HydrophobicContact CD1-CG 4.41Å; L32-L192 HydrophobicContact CD2-CD2 4.44Å; L32-L192 HydrophobicContact CD2-CG 4.44Å; Y91-L192 HydrophobicContact CE1-CD2 3.65Å; Y91-L192 WeakPolarHBondContact OH-CD2 3.42Å; L163-L192 HydrophobicContact CD2-CD1 3.77Å; L163-L192 HydrophobicContact CD2-CD2 3.61Å; L163-L192 HydrophobicContact CD2-CG 4.37Å; H168-L192 HydrophobicContact CB-CB 4.34Å; H168-L192 HydrophobicContact CB-CD1 3.93Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.29Å; K189-L192 PolarHBondContact O-N 3.2Å; Q190-L192 VanDerWaalsContact C-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.24Å; L192-T194 VanDerWaalsContact C-N 3.26Å; L192-T194 PolarHBondContact O-N 3.42Å; L192-H195 PolarHBondContact O-N 2.86Å; L192-E196 WeakPolarHBondContact O-CG 3.45Å; L192-E196 PolarHBondContact O-N 3.32Å; L192-E196 VanDerWaalsContact O-N 3.08Å
193L95.4Very high81.9Confident25 Ų2580.5 Ų80.513%0.13140%0.397CS..Hα-helixtrans-64.9-31.1176.2-72.5168.8000112.5T133 I171 K189 Q190 W191 K197T133-L193 HydrophobicContact CG2-CD2 3.69Å; I171-L193 HydrophobicContact CG2-CD1 4.3Å; K189-L193 HydrophobicContact CG-CD1 4.13Å; K189-L193 WeakPolarHBondContact O-CB 3.37Å; K189-L193 VanDerWaalsContact O-CG 3.23Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.31Å; Q190-L193 PolarHBondContact O-N 3.46Å; W191-L193 PolarHBondContact O-N 3.22Å; L193-K197 WeakPolarHBondContact O-CG 3.4Å
194T93.6Very high81.8Confident89 Ų8983.4 Ų83.455%0.54640%0.404SS..Hα-helixtrans-76-44.2174.5-61.50000111.2Q190 W191 L192 E196 K197Q190-T194 PolarHBondContact O-N 3.14Å; Q190-T194 PolarHBondContact O-OG1 3.08Å; W191-T194 PolarHBondContact O-N 3.05Å; W191-T194 VanDerWaalsContact O-N 3.17Å; L192-T194 VanDerWaalsContact C-N 3.26Å; L192-T194 PolarHBondContact O-N 3.42Å; T194-E196 PolarHBondContact O-N 3.26Å; T194-K197 WeakPolarHBondContact O-CB 3.36Å; T194-K197 PolarHBondContact O-N 3.13Å
195H91.7Very high81.6Confident23 Ų2378.7 Ų78.711%0.10639%0.386CS..Hα-helixtrans-53.7-43.2176.7-177.764.6000111.6Y91 F92 W191 L192 K197Y91-H195 PolarHBondContact O-NE2 3.22Å; F92-H195 PolarHBondContact O-CE1 2.94Å; W191-H195 HydrophobicContact CE3-CB 4.1Å; W191-H195 HydrophobicContact CH2-CB 4.05Å; W191-H195 AromaticContact CH2-CG 3.78Å; W191-H195 AromaticContact CH2-ND1 3.76Å; W191-H195 HydrophobicContact CZ3-CB 3.79Å; W191-H195 AromaticContact CZ3-CG 3.82Å; W191-H195 WeakPolarHBondContact O-CB 3.48Å; W191-H195 PolarHBondContact O-N 2.7Å; L192-H195 PolarHBondContact O-N 2.86Å; H195-K197 PolarHBondContact O-N 3.41Å
196E94.4Very high81.2Confident3 Ų383.4 Ų83.41%0.01441%0.409CS..THydrogen-bonded Turntrans-75.96.5176.5-64-171.5-174.900115.1Y91 W96 V130 G131 H168 R169 L192 T194Y91-E196 HydrophobicContact CE2-CG 4.18Å; Y91-E196 WeakPolarHBondContact CE2-OE1 3.37Å; Y91-E196 PolarHBondContact OH-OE1 3.19Å; W96-E196 WeakPolarHBondContact CH2-O 3.35Å; W96-E196 WeakPolarHBondContact CZ3-O 3.32Å; V130-E196 HydrophobicContact CG1-CB 4.11Å; V130-E196 HydrophobicContact CG1-CG 3.96Å; G131-E196 WeakPolarHBondContact CA-O 3.34Å; G131-E196 PolarHBondContact N-OE2 2.82Å; H168-E196 IonicContact CD2-OE1 3.77Å; H168-E196 IonicContact CE1-OE1 3.56Å; H168-E196 IonicContact NE2-OE1 2.71Å; H168-E196 PolarHBondContact NE2-OE1 2.87Å; R169-E196 IonicContact CZ-OE1 3.3Å; R169-E196 VanDerWaalsContact CZ-OE1 3.3Å; R169-E196 IonicContact CZ-OE2 3.56Å; R169-E196 VanDerWaalsContact NE-CD 3.35Å; R169-E196 IonicContact NE-OE1 3.01Å; R169-E196 PolarHBondContact NE-OE1 3.46Å; R169-E196 IonicContact NE-OE2 2.82Å; R169-E196 PolarHBondContact NE-OE2 3.47Å; R169-E196 IonicContact NH2-OE1 2.72Å; R169-E196 PolarHBondContact NH2-OE1 3.48Å; R169-E196 IonicContact NH2-OE2 3.55Å; L192-E196 WeakPolarHBondContact O-CG 3.45Å; L192-E196 PolarHBondContact O-N 3.32Å; L192-E196 VanDerWaalsContact O-N 3.08Å; T194-E196 PolarHBondContact O-N 3.26Å
197K88.7Confident80.6Confident154 Ų15485 Ų8567%0.6742%0.415SS*.THydrogen-bonded Turntrans-108.3-12.9173.9-72.1178.1-178.3-174.50114.7W96 L193 T194 H195 K199W96-K197 VanDerWaalsContact CH2-C 3.48Å; L193-K197 WeakPolarHBondContact O-CG 3.4Å; T194-K197 WeakPolarHBondContact O-CB 3.36Å; T194-K197 PolarHBondContact O-N 3.13Å; H195-K197 PolarHBondContact O-N 3.41Å; K197-K199 VanDerWaalsContact C-N 3.29Å; K197-K199 PolarHBondContact O-N 2.84Å
198V70.9Confident80Confident99 Ų9986.3 Ų86.360%0.642%0.423SS*.  trans-77.569.2-178.4-171.70000111.7W96W96-V198 VanDerWaalsContact CE2-O 3.23Å; W96-V198 VanDerWaalsContact CH2-C 3.5Å; W96-V198 HydrophobicContact CZ2-CB 4.41Å; W96-V198 WeakPolarHBondContact CZ2-O 3.35Å; W96-V198 PolarHBondContact NE1-O 3.07Å
199K64.9Low79.2Confident162 Ų16292.4 Ų92.470%0.70445%0.453SS*.PPolyproline II helixtrans-55.9145.3176.5-72.8-173.6176.2-174.90110.6W96 K197 E201W96-K199 HydrophobicContact CE3-CG 4.27Å; W96-K199 HydrophobicContact CH2-CG 4.1Å; W96-K199 HydrophobicContact CZ3-CG 3.9Å; K197-K199 VanDerWaalsContact C-N 3.29Å; K197-K199 PolarHBondContact O-N 2.84Å; K199-E201 PolarHBondContact O-N 3.15Å
200E50.4Low78Confident153 Ų15399.5 Ų99.572%0.71549%0.488SS*.PPolyproline II helixtrans-56.6121.6162.2-157.1168.6-159.700107.2D202E200-D202 PolarHBondContact O-N 3.28Å
201E45.6Very low76.8Confident188 Ų18898.5 Ų98.588%0.87949%0.485SS*.PPolyproline II helixtrans-67.1120.5168.4-70.5176.1162.500106.6K199K199-E201 PolarHBondContact O-N 3.15Å
202D38.5Very low75.4Confident238 Ų238103.1 Ų103.1100%1.27351%0.513SS*.  trans-59.70171.7-73.7-42.7000111.5E200E200-D202 PolarHBondContact O-N 3.28Å

Retrieved 202 of 202 residues in 716 ms (Link to these results)

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