A0A087Y1R1_POEFO Loading...

triacylglycerol lipase

AlphaFold DB , UniProt , Accession A0A087Y1R1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.4Very low76Confident219 Ų21957.4 Ų57.4100%1.07931%0.313SS*.  0126.40-171.2165.4173.700106.9
2F59Low77.9Confident22 Ų2252.6 Ų52.610%0.09629%0.287CS..  trans-66128.3-179.4-168.5-97.4000109.1L4 W8 I182F2-L4 HydrophobicContact CD1-CD2 4.15Å; F2-L4 PolarHBondContact O-N 3.46Å; F2-W8 HydrophobicContact CE1-CB 3.93Å; F2-W8 HydrophobicContact CE1-CD2 4.44Å; F2-W8 HydrophobicContact CE1-CG 4.14Å; F2-W8 HydrophobicContact CZ-CB 3.94Å; F2-W8 HydrophobicContact CZ-CG 4.46Å; F2-I182 HydrophobicContact CE1-CD1 4.29Å; F2-I182 HydrophobicContact CE1-CG1 4.37Å; F2-I182 HydrophobicContact CE2-CD1 4.3Å; F2-I182 HydrophobicContact CE2-CG1 3.64Å; F2-I182 HydrophobicContact CZ-CD1 3.84Å; F2-I182 HydrophobicContact CZ-CG1 3.46Å; F2-I182 VanDerWaalsContact CZ-CG1 3.46Å
3P62.3Low79.3Confident60 Ų6048.5 Ų48.539%0.3927%0.265SS..  trans-77.189.8-172.630.1-33.2000110.7D5 S6P3-D5 PolarHBondContact O-N 3.24Å; P3-S6 PolarHBondContact O-N 3.4Å; P3-S6 PolarHBondContact O-OG 3.35Å
4L66.8Low80.5Confident29 Ų2945.5 Ų45.515%0.15225%0.251CS..THydrogen-bonded Turntrans-69.2-11.9177.3-67.6168.1000113.2F2 S6 W8 F35 L254 Y257F2-L4 HydrophobicContact CD1-CD2 4.15Å; F2-L4 PolarHBondContact O-N 3.46Å; L4-S6 PolarHBondContact O-N 3.25Å; L4-W8 HydrophobicContact CD2-CE3 4.49Å; L4-W8 HydrophobicContact CD2-CH2 4.31Å; L4-W8 HydrophobicContact CD2-CZ3 4.07Å; L4-F35 HydrophobicContact CD2-CE2 3.88Å; L4-L254 HydrophobicContact CD1-CD2 4.1Å; L4-L254 HydrophobicContact CD2-CD2 4.22Å; L4-Y257 HydrophobicContact CD1-CD2 3.48Å; L4-Y257 VanDerWaalsContact CD1-CD2 3.48Å; L4-Y257 HydrophobicContact CD1-CE1 4.48Å; L4-Y257 HydrophobicContact CD1-CE2 3.38Å; L4-Y257 HydrophobicContact CD1-CG 4.1Å; L4-Y257 HydrophobicContact CG-CE2 4.48Å
5D68.6Low81.3Confident169 Ų16942.9 Ų42.990%0.90424%0.237SC*.THydrogen-bonded Turntrans-79.7-1.3179.7-53.7-41.6000113.4P3P3-D5 PolarHBondContact O-N 3.24Å
6S72.4Confident82.1Confident41 Ų4141.9 Ų41.929%0.28724%0.239SC..SBendtrans-128.1150-178.768.60000110.8P3 L4 W8P3-S6 PolarHBondContact O-N 3.4Å; P3-S6 PolarHBondContact O-OG 3.35Å; L4-S6 PolarHBondContact O-N 3.25Å; S6-W8 PolarHBondContact O-N 3.41Å
7P82.8Confident82.8Confident68 Ų6840.2 Ų40.244%0.44223%0.228SC..  trans-59.7134.9175.826-33.7000109.3R41 N180P7-R41 HydrophobicContact CB-CB 4.18Å; P7-N180 PolarHBondContact O-ND2 3.32Å
8W90Very high83.5Confident17 Ų1738.2 Ų38.26%0.06422%0.217CC..  trans-114.5163.7176.962.384.1000111.8F2 L4 S6 F35 L36 N39 A40 R41 N180F2-W8 HydrophobicContact CE1-CB 3.93Å; F2-W8 HydrophobicContact CE1-CD2 4.44Å; F2-W8 HydrophobicContact CE1-CG 4.14Å; F2-W8 HydrophobicContact CZ-CB 3.94Å; F2-W8 HydrophobicContact CZ-CG 4.46Å; L4-W8 HydrophobicContact CD2-CE3 4.49Å; L4-W8 HydrophobicContact CD2-CH2 4.31Å; L4-W8 HydrophobicContact CD2-CZ3 4.07Å; S6-W8 PolarHBondContact O-N 3.41Å; W8-F35 HydrophobicContact CH2-CD2 4.16Å; W8-F35 HydrophobicContact CZ2-CD2 4.02Å; W8-F35 HydrophobicContact CZ2-CE2 4.47Å; W8-F35 WeakPolarHBondContact CZ2-O 3.43Å; W8-L36 HydrophobicContact CZ2-CD2 4.2Å; W8-L36 PolarHBondContact NE1-O 2.69Å; W8-N39 HydrophobicContact CH2-CB 3.92Å; W8-N39 HydrophobicContact CZ2-CB 3.64Å; W8-A40 WeakPolarHBondContact O-CA 3.47Å; W8-R41 PolarHBondContact O-N 3.12Å; W8-N180 CarbonylContact C-O 2.9Å; W8-N180 WeakPolarHBondContact CA-O 3.4Å; W8-N180 WeakPolarHBondContact CB-O 3.22Å
9N94.4Very high84.1Confident6 Ų636.2 Ų36.23%0.03221%0.206CC..EExtended strand (participates in β ladder)trans-123.4165.5176-49.1-59.3000110.1H42 Y44 N180 T181 I182N9-H42 WeakPolarHBondContact CA-O 3.43Å; N9-H42 WeakPolarHBondContact CB-O 3.44Å; N9-H42 PolarHBondContact OD1-N 2.95Å; N9-Y44 HydrophobicContact CB-CD2 4.19Å; N9-Y44 HydrophobicContact CB-CE2 3.79Å; N9-N180 PolarHBondContact N-O 3.08Å; N9-T181 HydrophobicContact CB-CG2 4.16Å; N9-T181 PolarHBondContact ND2-OG1 3.22Å; N9-T181 WeakPolarHBondContact O-CA 3.37Å; N9-I182 PolarHBondContact O-N 3.39Å
10I96.6Very high84.8Confident0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-125.7134.7169.6-56.5173.8000107.3F12 L29 V37 A40 H42 I43 Y44 I182 V184I10-F12 HydrophobicContact CB-CE2 4.49Å; I10-F12 HydrophobicContact CG2-CD2 4.16Å; I10-F12 HydrophobicContact CG2-CE2 3.52Å; I10-F12 HydrophobicContact CG2-CZ 3.76Å; I10-L29 HydrophobicContact CD1-CD1 4.44Å; I10-V37 HydrophobicContact CD1-CG2 4.12Å; I10-A40 HydrophobicContact CD1-CB 4.3Å; I10-A40 HydrophobicContact CG1-CB 4.31Å; I10-H42 PolarHBondContact N-O 3.5Å; I10-I43 HydrophobicContact CB-CG2 4.44Å; I10-I43 CarbonylContact O-C 3.5Å; I10-I43 WeakPolarHBondContact O-CA 3.24Å; I10-Y44 PolarHBondContact O-N 2.8Å; I10-I182 CarbonylContact C-O 3.57Å; I10-I182 WeakPolarHBondContact CA-O 3.26Å; I10-I182 HydrophobicContact CG1-CB 4.45Å; I10-V184 HydrophobicContact CG2-CG2 4.35Å
11S97.3Very high85.4Confident0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-128.9126.6179.4-167.30000111.4L173 P174 I182 V184S11-L173 WeakPolarHBondContact O-CD1 3.43Å; S11-P174 VanDerWaalsContact CB-O 3.25Å; S11-P174 WeakPolarHBondContact CB-O 3.29Å; S11-P174 WeakPolarHBondContact OG-CD 3.45Å; S11-P174 PolarHBondContact OG-O 3.31Å; S11-I182 PolarHBondContact N-O 3.45Å; S11-V184 PolarHBondContact O-N 2.86Å
12F97.9Very high87.9Confident0 Ų022.7 Ų22.70%014%0.136CC..EExtended strand (participates in β ladder)trans-106.5121.9-179.2-66.2-86.5000111.5I10 H22 V25 I43 Y44 G45 A46 T52 A53 L56 V184I10-F12 HydrophobicContact CB-CE2 4.49Å; I10-F12 HydrophobicContact CG2-CD2 4.16Å; I10-F12 HydrophobicContact CG2-CE2 3.52Å; I10-F12 HydrophobicContact CG2-CZ 3.76Å; F12-H22 HydrophobicContact CD1-CB 4.06Å; F12-H22 AromaticContact CD1-CG 3.95Å; F12-H22 AromaticContact CD1-ND1 3.76Å; F12-H22 HydrophobicContact CE1-CB 4.45Å; F12-V25 HydrophobicContact CE1-CG1 4.35Å; F12-I43 HydrophobicContact CD2-CG2 4.17Å; F12-I43 HydrophobicContact CE2-CG2 3.83Å; F12-Y44 PolarHBondContact N-O 3.29Å; F12-G45 VanDerWaalsContact O-CA 3.26Å; F12-G45 WeakPolarHBondContact O-CA 3.33Å; F12-A46 PolarHBondContact O-N 2.75Å; F12-T52 HydrophobicContact CE1-CG2 4.39Å; F12-A53 HydrophobicContact CD2-CB 4.11Å; F12-L56 HydrophobicContact CE2-CD2 3.94Å; F12-L56 HydrophobicContact CZ-CD2 3.94Å; F12-V184 HydrophobicContact CD1-CB 3.73Å; F12-V184 HydrophobicContact CD1-CG1 3.87Å; F12-V184 HydrophobicContact CD1-CG2 4.05Å; F12-V184 HydrophobicContact CE1-CB 4.05Å; F12-V184 HydrophobicContact CE1-CG1 4.05Å; F12-V184 HydrophobicContact CE1-CG2 3.91Å; F12-V184 HydrophobicContact CG-CB 4.48Å
13A96.8Very high89.7Confident0 Ų021.7 Ų21.70%013%0.132CC..  trans-66.2147.218000000112.9H22 N172 L173 V184 T210A13-H22 PolarHBondContact O-NE2 3.39Å; A13-N172 WeakPolarHBondContact CA-O 3.33Å; A13-L173 HydrophobicContact CB-CD1 4.08Å; A13-V184 WeakPolarHBondContact CB-O 3.25Å; A13-V184 PolarHBondContact N-O 3.22Å; A13-T210 HydrophobicContact CB-CG2 4.48Å
14G95.1Very high91.4Very high6 Ų618.8 Ų18.86%0.06211%0.113CC..  trans-69.8138.416700000112.4A46 N172G14-A46 WeakPolarHBondContact CA-O 3.5Å; G14-A46 PolarHBondContact N-O 2.72Å; G14-N172 WeakPolarHBondContact CA-OD1 3.36Å; G14-N172 PolarHBondContact N-ND2 3.13Å; G14-N172 PolarHBondContact N-O 3.3Å; G14-N172 VanDerWaalsContact N-O 3.15Å; G14-N172 PolarHBondContact N-OD1 2.63Å; G14-N172 PolarHBondContact O-ND2 3.17Å; G14-N172 VanDerWaalsContact O-ND2 3.11Å; G14-N172 PolarHBondContact O-OD1 3.41Å
15C93.6Very high92.9Very high6 Ų617.4 Ų17.44%0.04111%0.106CC..  trans-161.914.5-170.365.30000115.8F17 L18 G19 H22 P186 F187 A225C15-F17 PolarHBondContact O-N 3.42Å; C15-L18 HydrophobicContact CB-CB 4Å; C15-L18 WeakPolarHBondContact O-CB 3.39Å; C15-L18 PolarHBondContact O-N 2.81Å; C15-L18 VanDerWaalsContact SG-C 3.51Å; C15-G19 PolarHBondContact SG-N 3.38Å; C15-H22 VanDerWaalsContact SG-CD2 3.56Å; C15-H22 PolarHBondContact SG-NE2 3.27Å; C15-H22 VanDerWaalsContact SG-NE2 3.41Å; C15-P186 HydrophobicContact CB-CG 3.28Å; C15-F187 HydrophobicContact CB-CE2 3.94Å; C15-F187 HydrophobicContact CB-CZ 4.12Å; C15-A225 WeakPolarHBondContact O-CA 3.16Å; C15-A225 WeakPolarHBondContact O-CB 3.09Å
16G93.5Very high94.3Very high27 Ų279.4 Ų9.428%0.2786%0.063SC..G310 helixtrans52.2-127.5179.400000113.6L18 G19 A48 A225G16-L18 PolarHBondContact O-N 3.28Å; G16-L18 VanDerWaalsContact O-N 3.11Å; G16-G19 PolarHBondContact O-N 3.35Å; G16-A48 WeakPolarHBondContact O-CB 3.34Å; G16-A225 WeakPolarHBondContact CA-O 3.23Å
17F94.4Very high95.4Very high13 Ų137.7 Ų7.76%0.0575%0.051CC..G310 helixtrans-66.1-12-178.8-72.1-73.9000114.8C15 G19 V72 A73 A76 F88 Y151 A225 P228 M234C15-F17 PolarHBondContact O-N 3.42Å; F17-G19 PolarHBondContact O-N 2.95Å; F17-V72 HydrophobicContact CE1-CB 4.12Å; F17-V72 HydrophobicContact CE1-CG1 3.72Å; F17-V72 HydrophobicContact CZ-CG1 4.07Å; F17-A73 HydrophobicContact CD1-CB 3.93Å; F17-A73 HydrophobicContact CE1-CB 4.05Å; F17-A76 HydrophobicContact CE1-CB 4.42Å; F17-A76 HydrophobicContact CE2-CB 4.44Å; F17-A76 HydrophobicContact CZ-CB 3.78Å; F17-F88 HydrophobicContact CZ-CZ 4.36Å; F17-Y151 WeakPolarHBondContact CE2-OH 3.45Å; F17-A225 WeakPolarHBondContact CD2-O 3.33Å; F17-A225 PolarHBondContact N-O 2.9Å; F17-P228 HydrophobicContact CB-CB 3.99Å; F17-P228 HydrophobicContact CD1-CB 3.79Å; F17-P228 HydrophobicContact CD1-CG 4.05Å; F17-P228 HydrophobicContact CD2-CB 3.91Å; F17-P228 HydrophobicContact CD2-CG 3.77Å; F17-P228 HydrophobicContact CE1-CB 4.22Å; F17-P228 HydrophobicContact CE1-CG 4Å; F17-P228 HydrophobicContact CE2-CB 4.32Å; F17-P228 HydrophobicContact CE2-CG 3.71Å; F17-P228 HydrophobicContact CG-CB 3.62Å; F17-P228 HydrophobicContact CG-CG 3.94Å; F17-P228 HydrophobicContact CZ-CB 4.47Å; F17-P228 HydrophobicContact CZ-CG 3.83Å; F17-M234 WeakPolarHBondContact O-CE 3.21Å
18L95.1Very high96.1Very high4 Ų44.4 Ų4.42%0.0213%0.03CC..G310 helixtrans-75-0.8170.6-60-174.6000113C15 G16 I20 Y21 P186 F187 R221 R224 A225 M237C15-L18 HydrophobicContact CB-CB 4Å; C15-L18 WeakPolarHBondContact O-CB 3.39Å; C15-L18 PolarHBondContact O-N 2.81Å; C15-L18 VanDerWaalsContact SG-C 3.51Å; G16-L18 PolarHBondContact O-N 3.28Å; G16-L18 VanDerWaalsContact O-N 3.11Å; L18-I20 PolarHBondContact O-N 3.49Å; L18-Y21 WeakPolarHBondContact O-CB 3.3Å; L18-Y21 PolarHBondContact O-N 3.31Å; L18-P186 HydrophobicContact CB-CB 4.08Å; L18-P186 HydrophobicContact CB-CG 4.01Å; L18-P186 HydrophobicContact CD1-CB 4.26Å; L18-P186 HydrophobicContact CD1-CG 4.27Å; L18-F187 HydrophobicContact CD1-CE1 3.92Å; L18-F187 HydrophobicContact CD1-CZ 4.28Å; L18-R221 HydrophobicContact CD1-CB 3.76Å; L18-R221 HydrophobicContact CD1-CG 4.33Å; L18-R221 WeakPolarHBondContact CD1-O 3.39Å; L18-R224 HydrophobicContact CD2-CB 3.93Å; L18-A225 HydrophobicContact CD1-CB 4.29Å; L18-A225 HydrophobicContact CG-CB 4.18Å; L18-M237 HydrophobicContact CD2-CE 3.92Å; L18-M237 HydrophobicContact CD2-SD 3.58Å; L18-M237 VanDerWaalsContact CD2-SD 3.58Å
19G95.8Very high96.3Very high1 Ų13.6 Ų3.61%0.013%0.027CC..Hα-helixtrans-54.1-20.1173.200000113.7C15 G16 F17 Y21 H22 I23C15-G19 PolarHBondContact SG-N 3.38Å; G16-G19 PolarHBondContact O-N 3.35Å; F17-G19 PolarHBondContact O-N 2.95Å; G19-Y21 PolarHBondContact O-N 3.44Å; G19-H22 WeakPolarHBondContact O-CB 3.34Å; G19-H22 PolarHBondContact O-N 2.95Å; G19-I23 PolarHBondContact O-N 3.33Å
20I97.1Very high96.3Very high0 Ų06.7 Ų6.70%04%0.043CC..Hα-helixtrans-61.6-27.2172.1-158.663.6000113.6L18 I23 G24 G66 I69 I70 M234 M237 C238 L320L18-I20 PolarHBondContact O-N 3.49Å; I20-I23 HydrophobicContact CD1-CG1 4.44Å; I20-I23 PolarHBondContact O-N 2.75Å; I20-G24 PolarHBondContact O-N 3Å; I20-G66 WeakPolarHBondContact CD1-O 3.45Å; I20-I69 HydrophobicContact CB-CG2 4.22Å; I20-I69 HydrophobicContact CD1-CB 4.32Å; I20-I69 HydrophobicContact CD1-CG2 4.4Å; I20-I70 HydrophobicContact CD1-CG1 4.37Å; I20-M234 HydrophobicContact CB-CE 4.28Å; I20-M234 HydrophobicContact CG1-CB 4.38Å; I20-M234 HydrophobicContact CG2-CB 4.08Å; I20-M234 HydrophobicContact CG2-CE 4.26Å; I20-M234 WeakPolarHBondContact CG2-O 3.32Å; I20-M237 HydrophobicContact CG2-CB 3.94Å; I20-C238 HydrophobicContact CG1-CB 4.05Å; I20-C238 WeakPolarHBondContact O-CA 3.29Å; I20-C238 PolarHBondContact O-SG 3.11Å; I20-L320 HydrophobicContact CD1-CD2 3.75Å
21Y97.9Very high96.1Very high7 Ų711 Ų113%0.0276%0.063CC..Hα-helixtrans-64.4-45.1171177.3-90.9000110.8L18 G19 I23 G24 V25 V184 P186 C194 P195 Q240 G241 D244L18-Y21 WeakPolarHBondContact O-CB 3.3Å; L18-Y21 PolarHBondContact O-N 3.31Å; G19-Y21 PolarHBondContact O-N 3.44Å; Y21-I23 VanDerWaalsContact C-N 3.27Å; Y21-I23 PolarHBondContact O-N 2.83Å; Y21-G24 WeakPolarHBondContact O-CA 3.24Å; Y21-G24 PolarHBondContact O-N 3.28Å; Y21-V25 HydrophobicContact CD1-CG2 3.95Å; Y21-V25 HydrophobicContact CE1-CG2 3.55Å; Y21-V25 PolarHBondContact O-N 2.84Å; Y21-V184 HydrophobicContact CE1-CG1 4.4Å; Y21-P186 HydrophobicContact CD1-CB 3.66Å; Y21-P186 HydrophobicContact CD2-CB 4.45Å; Y21-P186 HydrophobicContact CE1-CB 4.31Å; Y21-P186 HydrophobicContact CG-CB 3.75Å; Y21-C194 VanDerWaalsContact OH-C 3.25Å; Y21-C194 VanDerWaalsContact OH-CA 3.28Å; Y21-C194 WeakPolarHBondContact OH-CA 3.24Å; Y21-P195 HydrophobicContact CE2-CG 3.81Å; Y21-P195 WeakPolarHBondContact OH-CD 3.25Å; Y21-Q240 HydrophobicContact CE2-CG 4.29Å; Y21-G241 VanDerWaalsContact CD2-CA 3.45Å; Y21-D244 VanDerWaalsContact CE2-OD2 3.26Å; Y21-D244 WeakPolarHBondContact CE2-OD2 3.35Å; Y21-D244 VanDerWaalsContact OH-CB 3.24Å; Y21-D244 WeakPolarHBondContact OH-CB 3.34Å; Y21-D244 PolarHBondContact OH-OD2 3.37Å
22H98.1Very high95.9Very high0 Ų013.8 Ų13.80%08%0.076CC..Hα-helixtrans-61.6-35.1177.8-63.8-41.4000112.3F12 A13 C15 G19 G24 V25 A26 T52F12-H22 HydrophobicContact CD1-CB 4.06Å; F12-H22 AromaticContact CD1-CG 3.95Å; F12-H22 AromaticContact CD1-ND1 3.76Å; F12-H22 HydrophobicContact CE1-CB 4.45Å; A13-H22 PolarHBondContact O-NE2 3.39Å; C15-H22 VanDerWaalsContact SG-CD2 3.56Å; C15-H22 PolarHBondContact SG-NE2 3.27Å; C15-H22 VanDerWaalsContact SG-NE2 3.41Å; G19-H22 WeakPolarHBondContact O-CB 3.34Å; G19-H22 PolarHBondContact O-N 2.95Å; H22-G24 VanDerWaalsContact C-N 3.28Å; H22-G24 PolarHBondContact O-N 3.45Å; H22-V25 PolarHBondContact O-N 2.87Å; H22-A26 VanDerWaalsContact O-CB 3.28Å; H22-A26 WeakPolarHBondContact O-CB 3.33Å; H22-A26 PolarHBondContact O-N 2.94Å; H22-T52 HydrophobicContact CB-CG2 3.75Å; H22-T52 WeakPolarHBondContact CB-OG1 3.3Å
23I97.9Very high95.7Very high1 Ų113.8 Ų13.81%0.0058%0.076CC..Hα-helixtrans-58.4-42.3171.6-61.9-59.2000111.1G19 I20 Y21 S27 T52 L62 A65 I69 V316G19-I23 PolarHBondContact O-N 3.33Å; I20-I23 HydrophobicContact CD1-CG1 4.44Å; I20-I23 PolarHBondContact O-N 2.75Å; Y21-I23 VanDerWaalsContact C-N 3.27Å; Y21-I23 PolarHBondContact O-N 2.83Å; I23-S27 VanDerWaalsContact O-CB 3.24Å; I23-S27 WeakPolarHBondContact O-CB 3.24Å; I23-S27 PolarHBondContact O-N 3.12Å; I23-S27 PolarHBondContact O-OG 3.4Å; I23-T52 HydrophobicContact CD1-CG2 4.29Å; I23-L62 HydrophobicContact CD1-CD2 4.29Å; I23-L62 HydrophobicContact CG2-CB 4.3Å; I23-L62 WeakPolarHBondContact CG2-O 3.25Å; I23-A65 HydrophobicContact CD1-CB 3.81Å; I23-I69 HydrophobicContact CD1-CD1 4.31Å; I23-I69 HydrophobicContact CG1-CD1 3.85Å; I23-V316 HydrophobicContact CG2-CG1 4.34Å
24G97.6Very high95.4Very high0 Ų016.1 Ų16.10%09%0.092CC..Hα-helixtrans-63.1-46.6176.100000112.4I20 Y21 H22 S27 C28 C238 Y242I20-G24 PolarHBondContact O-N 3Å; Y21-G24 WeakPolarHBondContact O-CA 3.24Å; Y21-G24 PolarHBondContact O-N 3.28Å; H22-G24 VanDerWaalsContact C-N 3.28Å; H22-G24 PolarHBondContact O-N 3.45Å; G24-S27 PolarHBondContact O-N 3.5Å; G24-C28 PolarHBondContact O-N 3.38Å; G24-C238 WeakPolarHBondContact CA-O 3.31Å; G24-C238 PolarHBondContact N-SG 3.27Å; G24-Y242 WeakPolarHBondContact O-CA 3.22Å
25V98Very high95.2Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-59.9-53.4176.5173.20000111F12 Y21 H22 S27 C28 L29 V184 I193 G241 A245F12-V25 HydrophobicContact CE1-CG1 4.35Å; Y21-V25 HydrophobicContact CD1-CG2 3.95Å; Y21-V25 HydrophobicContact CE1-CG2 3.55Å; Y21-V25 PolarHBondContact O-N 2.84Å; H22-V25 PolarHBondContact O-N 2.87Å; V25-S27 PolarHBondContact O-N 2.84Å; V25-C28 WeakPolarHBondContact O-CB 3.42Å; V25-C28 PolarHBondContact O-N 2.88Å; V25-C28 VanDerWaalsContact O-N 3.12Å; V25-L29 HydrophobicContact CG1-CD1 3.99Å; V25-L29 HydrophobicContact CG1-CG 4.32Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 2.84Å; V25-V184 HydrophobicContact CB-CG1 4.04Å; V25-V184 HydrophobicContact CG1-CG1 3.71Å; V25-V184 HydrophobicContact CG1-CG2 4.02Å; V25-V184 HydrophobicContact CG2-CG1 3.83Å; V25-I193 HydrophobicContact CG1-CD1 3.95Å; V25-I193 HydrophobicContact CG1-CG2 4.03Å; V25-I193 HydrophobicContact CG2-CG2 3.76Å; V25-G241 VanDerWaalsContact CG2-O 3.3Å; V25-G241 WeakPolarHBondContact CG2-O 3.35Å; V25-A245 HydrophobicContact CB-CB 4.25Å; V25-A245 HydrophobicContact CG1-CB 3.94Å; V25-A245 HydrophobicContact CG2-CB 4.33Å
26A97.7Very high95.1Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-59.3-37.4-179.900000111.9H22 L29 L30 T52 L56 L62H22-A26 VanDerWaalsContact O-CB 3.28Å; H22-A26 WeakPolarHBondContact O-CB 3.33Å; H22-A26 PolarHBondContact O-N 2.94Å; A26-L29 PolarHBondContact O-N 3.43Å; A26-L30 WeakPolarHBondContact O-CG 3.41Å; A26-L30 PolarHBondContact O-N 3.4Å; A26-T52 HydrophobicContact CB-CG2 4.18Å; A26-L56 HydrophobicContact CB-CD1 4.24Å; A26-L56 HydrophobicContact CB-CD2 4.45Å; A26-L62 HydrophobicContact CB-CD1 3.71Å; A26-L62 HydrophobicContact CB-CD2 4.26Å
27S96.7Very high95.1Very high5 Ų516 Ų164%0.0358%0.081CC..Hα-helixtrans-63.8-44.7176-61.80000111.8I23 G24 V25 L30 E31I23-S27 VanDerWaalsContact O-CB 3.24Å; I23-S27 WeakPolarHBondContact O-CB 3.24Å; I23-S27 PolarHBondContact O-N 3.12Å; I23-S27 PolarHBondContact O-OG 3.4Å; G24-S27 PolarHBondContact O-N 3.5Å; V25-S27 PolarHBondContact O-N 2.84Å; S27-L30 PolarHBondContact O-N 2.72Å; S27-E31 WeakPolarHBondContact O-CB 3.17Å; S27-E31 PolarHBondContact O-N 3.36Å
28C96.1Very high94.9Very high0 Ų019.6 Ų19.60%010%0.101CC..Hα-helixtrans-63.3-46176.1-177.70000111.7G24 V25 L30 E31 Q32 Y242 A245 L246G24-C28 PolarHBondContact O-N 3.38Å; V25-C28 WeakPolarHBondContact O-CB 3.42Å; V25-C28 PolarHBondContact O-N 2.88Å; V25-C28 VanDerWaalsContact O-N 3.12Å; C28-L30 VanDerWaalsContact C-N 3.34Å; C28-L30 PolarHBondContact O-N 2.91Å; C28-E31 PolarHBondContact O-N 3.2Å; C28-Q32 VanDerWaalsContact O-CB 3.27Å; C28-Q32 WeakPolarHBondContact O-CB 3.26Å; C28-Q32 WeakPolarHBondContact O-CG 3.17Å; C28-Q32 PolarHBondContact O-N 3.49Å; C28-Y242 VanDerWaalsContact CA-CE2 3.42Å; C28-Y242 HydrophobicContact CB-CD1 4.33Å; C28-Y242 HydrophobicContact CB-CD2 3.51Å; C28-Y242 HydrophobicContact CB-CE1 4.43Å; C28-Y242 HydrophobicContact CB-CE2 3.65Å; C28-Y242 HydrophobicContact CB-CG 3.87Å; C28-A245 HydrophobicContact CB-CB 3.67Å; C28-L246 VanDerWaalsContact SG-CA 3.57Å; C28-L246 PolarHBondContact SG-N 2.81Å; C28-L246 VanDerWaalsContact SG-N 3.36Å
29L95.3Very high94.7Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-60.3-42.9179.1-66176.9000111.7I10 V25 A26 A33 P34 L36 V37 I193 L249I10-L29 HydrophobicContact CD1-CD1 4.44Å; V25-L29 HydrophobicContact CG1-CD1 3.99Å; V25-L29 HydrophobicContact CG1-CG 4.32Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 2.84Å; A26-L29 PolarHBondContact O-N 3.43Å; L29-A33 CarbonylContact O-C 3.52Å; L29-A33 WeakPolarHBondContact O-CA 3.33Å; L29-A33 PolarHBondContact O-N 3.37Å; L29-A33 VanDerWaalsContact O-O 3.06Å; L29-P34 VanDerWaalsContact O-N 3.15Å; L29-L36 HydrophobicContact CD2-CD1 4.13Å; L29-V37 HydrophobicContact CB-CG2 3.83Å; L29-I193 HydrophobicContact CD2-CD1 4.32Å; L29-L249 HydrophobicContact CD2-CD1 4.43Å; L29-L249 HydrophobicContact CD2-CD2 4Å; L29-L249 HydrophobicContact CD2-CG 4.41Å
30L94.3Very high94.6Very high70 Ų7023.5 Ų23.537%0.36612%0.122SC..Hα-helixtrans-68.1-36.9177.3-75.7179.9000113.5A26 S27 C28 P34 V37 L56 L62A26-L30 WeakPolarHBondContact O-CG 3.41Å; A26-L30 PolarHBondContact O-N 3.4Å; S27-L30 PolarHBondContact O-N 2.72Å; C28-L30 VanDerWaalsContact C-N 3.34Å; C28-L30 PolarHBondContact O-N 2.91Å; L30-P34 WeakPolarHBondContact O-CB 3.45Å; L30-V37 HydrophobicContact CD2-CB 3.9Å; L30-V37 HydrophobicContact CD2-CG1 3.85Å; L30-V37 HydrophobicContact CD2-CG2 4.04Å; L30-V37 HydrophobicContact CG-CG2 4.46Å; L30-L56 HydrophobicContact CD1-CD1 3.69Å; L30-L56 HydrophobicContact CD2-CD1 4Å; L30-L56 HydrophobicContact CG-CD1 3.79Å; L30-L62 HydrophobicContact CD1-CD1 3.68Å; L30-L62 HydrophobicContact CD1-CG 4.36Å
31E92.8Very high94.4Very high91 Ų9130.9 Ų30.943%0.42515%0.15SC..Hα-helixtrans-78.4-44.7-177.4-176.5177.1-149.700112.1S27 C28 Y242 P313S27-E31 WeakPolarHBondContact O-CB 3.17Å; S27-E31 PolarHBondContact O-N 3.36Å; C28-E31 PolarHBondContact O-N 3.2Å; E31-Y242 WeakPolarHBondContact OE2-CE2 3.18Å; E31-Y242 PolarHBondContact OE2-OH 2.93Å; E31-P313 WeakPolarHBondContact OE2-CG 3.36Å
32Q92.9Very high94.2Very high59 Ų5932.4 Ų32.428%0.27616%0.157SC..Hα-helixtrans-99.4-28.1-167-59.1-67.4-19.300113.1C28 Y242 L246 L249 L255C28-Q32 VanDerWaalsContact O-CB 3.27Å; C28-Q32 WeakPolarHBondContact O-CB 3.26Å; C28-Q32 WeakPolarHBondContact O-CG 3.17Å; C28-Q32 PolarHBondContact O-N 3.49Å; Q32-Y242 PolarHBondContact NE2-OH 3.42Å; Q32-L246 HydrophobicContact CG-CD1 4.06Å; Q32-L249 HydrophobicContact CB-CD1 3.63Å; Q32-L255 HydrophobicContact CB-CD2 3.77Å
33A92.2Very high94.2Very high0 Ų032.4 Ų32.40%016%0.157CC..  trans-146.357-178.500000111.7L29 F35 L36 L249L29-A33 CarbonylContact O-C 3.52Å; L29-A33 WeakPolarHBondContact O-CA 3.33Å; L29-A33 PolarHBondContact O-N 3.37Å; L29-A33 VanDerWaalsContact O-O 3.06Å; A33-F35 HydrophobicContact CB-CD1 4.18Å; A33-F35 HydrophobicContact CB-CE1 3.66Å; A33-F35 HydrophobicContact CB-CZ 4.33Å; A33-F35 PolarHBondContact O-N 2.9Å; A33-L36 HydrophobicContact CB-CD1 3.72Å; A33-L36 HydrophobicContact CB-CG 4.11Å; A33-L36 WeakPolarHBondContact O-CB 3.36Å; A33-L36 PolarHBondContact O-N 2.84Å; A33-L249 HydrophobicContact CB-CD1 3.87Å; A33-L249 HydrophobicContact CB-CD2 3.72Å; A33-L249 HydrophobicContact CB-CG 4.44Å
34P92.3Very high94.2Very high49 Ų4933.3 Ų33.332%0.31816%0.161SC..Hα-helixtrans-56.3-29.5-172.618.4-31000113.3L29 L30 L36 V37 L38L29-P34 VanDerWaalsContact O-N 3.15Å; L30-P34 WeakPolarHBondContact O-CB 3.45Å; P34-L36 PolarHBondContact O-N 2.77Å; P34-V37 PolarHBondContact O-N 3.32Å; P34-V37 VanDerWaalsContact O-N 3.08Å; P34-L38 HydrophobicContact CB-CD1 4.25Å; P34-L38 WeakPolarHBondContact O-CB 3.49Å; P34-L38 WeakPolarHBondContact O-CG 3.33Å; P34-L38 PolarHBondContact O-N 2.83Å
35F90.1Very high94.2Very high31 Ų3133.3 Ų33.314%0.13616%0.161CC..Hα-helixtrans-56.4-33.2176.774-88.3000112.6L4 W8 A33 V37 L38 N39 L254 Y257L4-F35 HydrophobicContact CD2-CE2 3.88Å; W8-F35 HydrophobicContact CH2-CD2 4.16Å; W8-F35 HydrophobicContact CZ2-CD2 4.02Å; W8-F35 HydrophobicContact CZ2-CE2 4.47Å; W8-F35 WeakPolarHBondContact CZ2-O 3.43Å; A33-F35 HydrophobicContact CB-CD1 4.18Å; A33-F35 HydrophobicContact CB-CE1 3.66Å; A33-F35 HydrophobicContact CB-CZ 4.33Å; A33-F35 PolarHBondContact O-N 2.9Å; F35-V37 VanDerWaalsContact C-N 3.31Å; F35-V37 PolarHBondContact O-N 3.22Å; F35-L38 PolarHBondContact O-N 2.94Å; F35-N39 VanDerWaalsContact O-CB 3.27Å; F35-N39 WeakPolarHBondContact O-CB 3.28Å; F35-N39 PolarHBondContact O-N 2.8Å; F35-L254 HydrophobicContact CZ-CB 4.38Å; F35-L254 HydrophobicContact CZ-CD2 4.27Å; F35-Y257 HydrophobicContact CD1-CD1 4.23Å; F35-Y257 AromaticContact CD2-CD1 3.81Å; F35-Y257 HydrophobicContact CD2-CD1 3.81Å; F35-Y257 HydrophobicContact CD2-CE1 4.22Å; F35-Y257 HydrophobicContact CE1-CD1 4.08Å; F35-Y257 HydrophobicContact CE1-CG 4.33Å; F35-Y257 AromaticContact CE2-CD1 3.64Å; F35-Y257 HydrophobicContact CE2-CD1 3.64Å; F35-Y257 HydrophobicContact CE2-CE1 4.23Å; F35-Y257 HydrophobicContact CE2-CG 4.19Å; F35-Y257 HydrophobicContact CG-CD1 4.11Å; F35-Y257 AromaticContact CZ-CD1 3.78Å; F35-Y257 HydrophobicContact CZ-CD1 3.78Å; F35-Y257 AromaticContact CZ-CG 3.96Å; F35-Y257 HydrophobicContact CZ-CG 3.96Å
36L91.9Very high94.2Very high0 Ų033.3 Ų33.30%016%0.161CC..Hα-helixtrans-62.9-40.8177.6-69.4174.9000111.3W8 L29 A33 P34 A40 I182 L249 L254W8-L36 HydrophobicContact CZ2-CD2 4.2Å; W8-L36 PolarHBondContact NE1-O 2.69Å; L29-L36 HydrophobicContact CD2-CD1 4.13Å; A33-L36 HydrophobicContact CB-CD1 3.72Å; A33-L36 HydrophobicContact CB-CG 4.11Å; A33-L36 WeakPolarHBondContact O-CB 3.36Å; A33-L36 PolarHBondContact O-N 2.84Å; P34-L36 PolarHBondContact O-N 2.77Å; L36-A40 VanDerWaalsContact O-CB 3.24Å; L36-A40 WeakPolarHBondContact O-CB 3.19Å; L36-A40 PolarHBondContact O-N 2.82Å; L36-I182 HydrophobicContact CD1-CD1 4.33Å; L36-I182 HydrophobicContact CD2-CD1 4.12Å; L36-L249 HydrophobicContact CD1-CD2 3.49Å; L36-L249 VanDerWaalsContact CD1-CD2 3.49Å; L36-L254 HydrophobicContact CD1-CD1 4.1Å
37V93.3Very high94.2Very high4 Ų433.7 Ų33.72%0.02416%0.163CC..Hα-helixtrans-79.7-42.6179.3-179.10000110.7I10 L29 L30 P34 F35 I43 L56 R113I10-V37 HydrophobicContact CD1-CG2 4.12Å; L29-V37 HydrophobicContact CB-CG2 3.83Å; L30-V37 HydrophobicContact CD2-CB 3.9Å; L30-V37 HydrophobicContact CD2-CG1 3.85Å; L30-V37 HydrophobicContact CD2-CG2 4.04Å; L30-V37 HydrophobicContact CG-CG2 4.46Å; P34-V37 PolarHBondContact O-N 3.32Å; P34-V37 VanDerWaalsContact O-N 3.08Å; F35-V37 VanDerWaalsContact C-N 3.31Å; F35-V37 PolarHBondContact O-N 3.22Å; V37-I43 HydrophobicContact CG1-CD1 3.97Å; V37-L56 HydrophobicContact CG1-CD1 3.71Å; V37-L56 HydrophobicContact CG1-CD2 3.81Å; V37-L56 HydrophobicContact CG1-CG 3.58Å; V37-L56 HydrophobicContact CG2-CD1 4.44Å; V37-L56 HydrophobicContact CG2-CD2 4.23Å; V37-R113 PolarHBondContact O-NH2 3.23Å
38L90.8Very high94.1Very high89 Ų8933.9 Ų33.947%0.46617%0.165SC..Hα-helixtrans-65.8-43.2-177.3-69.2172.9000111.9P34 F35 R113P34-L38 HydrophobicContact CB-CD1 4.25Å; P34-L38 WeakPolarHBondContact O-CB 3.49Å; P34-L38 WeakPolarHBondContact O-CG 3.33Å; P34-L38 PolarHBondContact O-N 2.83Å; F35-L38 PolarHBondContact O-N 2.94Å; L38-R113 PolarHBondContact O-NH2 3.01Å
39N90.4Very high94.2Very high84 Ų8433.9 Ų33.945%0.44917%0.165SC..SBendtrans-96.70.2-175.3-57.6-11.3000113.1W8 F35 R41W8-N39 HydrophobicContact CH2-CB 3.92Å; W8-N39 HydrophobicContact CZ2-CB 3.64Å; F35-N39 VanDerWaalsContact O-CB 3.27Å; F35-N39 WeakPolarHBondContact O-CB 3.28Å; F35-N39 PolarHBondContact O-N 2.8Å; N39-R41 PolarHBondContact O-N 3.33Å
40A92.5Very high94.3Very high4 Ų433.9 Ų33.93%0.03317%0.165CC..  trans-57.4127.2169.300000109.5W8 I10 L36 I43W8-A40 WeakPolarHBondContact O-CA 3.47Å; I10-A40 HydrophobicContact CD1-CB 4.3Å; I10-A40 HydrophobicContact CG1-CB 4.31Å; L36-A40 VanDerWaalsContact O-CB 3.24Å; L36-A40 WeakPolarHBondContact O-CB 3.19Å; L36-A40 PolarHBondContact O-N 2.82Å; A40-I43 HydrophobicContact CB-CD1 4.44Å; A40-I43 HydrophobicContact CB-CG1 4.05Å
41R92.6Very high94.5Very high154 Ų15432.5 Ų32.558%0.58116%0.158SC*.SBendtrans-64.9-46177.1-173.8-173.2167.7155.82.1109.8P7 W8 N39P7-R41 HydrophobicContact CB-CB 4.18Å; W8-R41 PolarHBondContact O-N 3.12Å; N39-R41 PolarHBondContact O-N 3.33Å
42H95.3Very high94.7Very high39 Ų3928.3 Ų28.318%0.18114%0.138CC..EExtended strand (participates in β ladder)trans-137.8146.1177.2-54.2-66.2000111.8N9 I10 Y44 G112 R113N9-H42 WeakPolarHBondContact CA-O 3.43Å; N9-H42 WeakPolarHBondContact CB-O 3.44Å; N9-H42 PolarHBondContact OD1-N 2.95Å; I10-H42 PolarHBondContact N-O 3.5Å; H42-Y44 HydrophobicContact CB-CD1 4.42Å; H42-Y44 HydrophobicContact CB-CD2 4.36Å; H42-Y44 HydrophobicContact CB-CE1 3.65Å; H42-Y44 HydrophobicContact CB-CE2 3.6Å; H42-Y44 WeakPolarHBondContact CB-OH 3.42Å; H42-Y44 PolarHBondContact CD2-OH 2.77Å; H42-Y44 AromaticContact CG-CZ 3.74Å; H42-G112 PolarHBondContact CE1-O 3.49Å; H42-G112 PolarHBondContact ND1-O 3.25Å; H42-R113 CarbonylContact C-O 3.59Å; H42-R113 VanDerWaalsContact CA-O 3.27Å; H42-R113 WeakPolarHBondContact CA-O 3.39Å
43I97.6Very high95Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-121.6117.4172.1-55-174.8000107.1I10 F12 V37 A40 A53 L56 V57 R113 L114 G115I10-I43 HydrophobicContact CB-CG2 4.44Å; I10-I43 CarbonylContact O-C 3.5Å; I10-I43 WeakPolarHBondContact O-CA 3.24Å; F12-I43 HydrophobicContact CD2-CG2 4.17Å; F12-I43 HydrophobicContact CE2-CG2 3.83Å; V37-I43 HydrophobicContact CG1-CD1 3.97Å; A40-I43 HydrophobicContact CB-CD1 4.44Å; A40-I43 HydrophobicContact CB-CG1 4.05Å; I43-A53 HydrophobicContact CG2-CB 3.83Å; I43-L56 HydrophobicContact CD1-CD2 4Å; I43-L56 HydrophobicContact CD1-CG 4.23Å; I43-L56 HydrophobicContact CG2-CD2 4.36Å; I43-V57 HydrophobicContact CB-CG2 3.72Å; I43-V57 HydrophobicContact CD1-CG2 3.8Å; I43-V57 HydrophobicContact CG1-CG2 4.07Å; I43-V57 HydrophobicContact CG2-CG2 4.27Å; I43-R113 PolarHBondContact N-O 3.09Å; I43-L114 CarbonylContact O-C 3.31Å; I43-L114 WeakPolarHBondContact O-CA 3.37Å; I43-G115 PolarHBondContact O-N 2.91Å
44Y97.7Very high95.3Very high21 Ų2125.5 Ų25.58%0.08213%0.125CC..EExtended strand (participates in β ladder)trans-109.3157.3-174-55.5-65.6000111.9N9 I10 F12 H42 G115 L128 P174 Q175N9-Y44 HydrophobicContact CB-CD2 4.19Å; N9-Y44 HydrophobicContact CB-CE2 3.79Å; I10-Y44 PolarHBondContact O-N 2.8Å; F12-Y44 PolarHBondContact N-O 3.29Å; H42-Y44 HydrophobicContact CB-CD1 4.42Å; H42-Y44 HydrophobicContact CB-CD2 4.36Å; H42-Y44 HydrophobicContact CB-CE1 3.65Å; H42-Y44 HydrophobicContact CB-CE2 3.6Å; H42-Y44 WeakPolarHBondContact CB-OH 3.42Å; H42-Y44 PolarHBondContact CD2-OH 2.77Å; H42-Y44 AromaticContact CG-CZ 3.74Å; Y44-G115 CarbonylContact C-O 3.58Å; Y44-G115 VanDerWaalsContact CA-O 3.28Å; Y44-G115 WeakPolarHBondContact CA-O 3.23Å; Y44-L128 HydrophobicContact CD1-CD1 4.08Å; Y44-L128 HydrophobicContact CD1-CD2 3.99Å; Y44-L128 HydrophobicContact CD1-CG 4.49Å; Y44-L128 HydrophobicContact CE1-CD2 3.73Å; Y44-P174 HydrophobicContact CG-CB 4.48Å; Y44-Q175 HydrophobicContact CD2-CB 4.14Å; Y44-Q175 HydrophobicContact CD2-CG 4.09Å; Y44-Q175 HydrophobicContact CE2-CB 3.96Å; Y44-Q175 HydrophobicContact CE2-CG 3.69Å
45G97.8Very high95.5Very high0 Ų023.6 Ų23.60%011%0.113CC..EExtended strand (participates in β ladder)trans-167.6164.2163.400000114.1F12 A50 G115 S117F12-G45 VanDerWaalsContact O-CA 3.26Å; F12-G45 WeakPolarHBondContact O-CA 3.33Å; G45-A50 WeakPolarHBondContact O-CB 3.24Å; G45-G115 PolarHBondContact N-O 3.37Å; G45-S117 PolarHBondContact O-N 3.47Å
46A97.8Very high95.8Very high0 Ų022.6 Ų22.60%011%0.11CC..EExtended strand (participates in β ladder)trans-120.1146.4169.900000109.6F12 G14 A48 G49 A50F12-A46 PolarHBondContact O-N 2.75Å; G14-A46 WeakPolarHBondContact CA-O 3.5Å; G14-A46 PolarHBondContact N-O 2.72Å; A46-A48 PolarHBondContact O-N 2.69Å; A46-G49 VanDerWaalsContact O-CA 3.26Å; A46-G49 WeakPolarHBondContact O-CA 3.35Å; A46-G49 PolarHBondContact O-N 2.88Å; A46-A50 PolarHBondContact O-N 3.33Å; A46-A50 VanDerWaalsContact O-N 3.16Å
47S96.8Very high96Very high7 Ų722.7 Ų22.75%0.04911%0.11CC..THydrogen-bonded Turntrans52.2-131.1174.5-164.30000112.9G49 A50 L51 S145 D166S47-G49 PolarHBondContact O-N 2.9Å; S47-G49 VanDerWaalsContact O-N 3.16Å; S47-A50 WeakPolarHBondContact O-CA 3.35Å; S47-A50 VanDerWaalsContact O-CB 3.29Å; S47-A50 WeakPolarHBondContact O-CB 3.34Å; S47-A50 PolarHBondContact O-N 3.29Å; S47-L51 PolarHBondContact O-N 2.68Å; S47-S145 WeakPolarHBondContact CA-O 3.47Å; S47-S145 PolarHBondContact N-O 3.06Å; S47-S145 PolarHBondContact N-OG 3Å; S47-D166 WeakPolarHBondContact CB-OD1 3.36Å; S47-D166 WeakPolarHBondContact CB-OD2 3.4Å; S47-D166 PolarHBondContact OG-OD2 3Å
48A96.3Very high96.2Very high10 Ų1022.5 Ų22.58%0.08311%0.109CC..Hα-helixtrans-55.9-27.9174.100000114.2G16 A46 L51 T52G16-A48 WeakPolarHBondContact O-CB 3.34Å; A46-A48 PolarHBondContact O-N 2.69Å; A48-L51 PolarHBondContact O-N 3.02Å; A48-T52 PolarHBondContact O-N 2.98Å; A48-T52 PolarHBondContact O-OG1 3.21Å
49G97.7Very high96.4Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-65.7-40.817100000112.2A46 S47 L51 T52 A53A46-G49 VanDerWaalsContact O-CA 3.26Å; A46-G49 WeakPolarHBondContact O-CA 3.35Å; A46-G49 PolarHBondContact O-N 2.88Å; S47-G49 PolarHBondContact O-N 2.9Å; S47-G49 VanDerWaalsContact O-N 3.16Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.46Å; G49-T52 PolarHBondContact O-N 2.88Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 2.82Å
50A98Very high96.6Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-62.5-38.6174.200000112.1G45 A46 S47 T52 A53 T54 I116G45-A50 WeakPolarHBondContact O-CB 3.24Å; A46-A50 PolarHBondContact O-N 3.33Å; A46-A50 VanDerWaalsContact O-N 3.16Å; S47-A50 WeakPolarHBondContact O-CA 3.35Å; S47-A50 VanDerWaalsContact O-CB 3.29Å; S47-A50 WeakPolarHBondContact O-CB 3.34Å; S47-A50 PolarHBondContact O-N 3.29Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 2.86Å; A50-A53 PolarHBondContact O-N 3.5Å; A50-T54 WeakPolarHBondContact O-CB 3.32Å; A50-T54 PolarHBondContact O-N 3.41Å; A50-T54 PolarHBondContact O-OG1 3.07Å; A50-I116 HydrophobicContact CB-CG1 4.45Å; A50-I116 HydrophobicContact CB-CG2 4.03Å
51L97.6Very high96.7Very high41 Ų4120 Ų2022%0.21511%0.111CC..Hα-helixtrans-63-40.4175.3-59.2179.7000111.6S47 A48 G49 A55 V94 L98 C142S47-L51 PolarHBondContact O-N 2.68Å; A48-L51 PolarHBondContact O-N 3.02Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.46Å; L51-A55 WeakPolarHBondContact O-CB 3.27Å; L51-A55 PolarHBondContact O-N 2.84Å; L51-V94 HydrophobicContact CD1-CG1 4.34Å; L51-V94 HydrophobicContact CD2-CG1 4.25Å; L51-L98 HydrophobicContact CD2-CD1 4Å; L51-L98 HydrophobicContact CD2-CD2 4.17Å; L51-C142 HydrophobicContact CD2-CB 3.75Å
52T97.8Very high96.8Very high2 Ų213.2 Ų13.21%0.0129%0.086CC..Hα-helixtrans-70.8-44.6177.4-54.70000111.6F12 H22 I23 A26 A48 G49 A50 T54 A55 L56F12-T52 HydrophobicContact CE1-CG2 4.39Å; H22-T52 HydrophobicContact CB-CG2 3.75Å; H22-T52 WeakPolarHBondContact CB-OG1 3.3Å; I23-T52 HydrophobicContact CD1-CG2 4.29Å; A26-T52 HydrophobicContact CB-CG2 4.18Å; A48-T52 PolarHBondContact O-N 2.98Å; A48-T52 PolarHBondContact O-OG1 3.21Å; G49-T52 PolarHBondContact O-N 2.88Å; A50-T52 VanDerWaalsContact C-N 3.32Å; A50-T52 PolarHBondContact O-N 2.86Å; T52-T54 VanDerWaalsContact C-N 3.28Å; T52-T54 PolarHBondContact O-N 2.87Å; T52-A55 PolarHBondContact O-N 2.82Å; T52-L56 WeakPolarHBondContact O-CB 3.39Å; T52-L56 PolarHBondContact O-N 3.39Å
53A98Very high96.7Very high0 Ų011.4 Ų11.40%08%0.078CC..Hα-helixtrans-56.6-44174.300000111.2F12 I43 G49 A50 L56 V57 L114F12-A53 HydrophobicContact CD2-CB 4.11Å; I43-A53 HydrophobicContact CG2-CB 3.83Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 2.82Å; A50-A53 PolarHBondContact O-N 3.5Å; A53-L56 PolarHBondContact O-N 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 2.88Å; A53-L114 HydrophobicContact CB-CD1 3.69Å
54T98.1Very high96.5Very high1 Ų115.3 Ų15.31%0.00610%0.099CC..Hα-helixtrans-60.1-53.3175.5-56.70000110.4A50 T52 L56 V57 T58 L102 L114 L138 C142A50-T54 WeakPolarHBondContact O-CB 3.32Å; A50-T54 PolarHBondContact O-N 3.41Å; A50-T54 PolarHBondContact O-OG1 3.07Å; T52-T54 VanDerWaalsContact C-N 3.28Å; T52-T54 PolarHBondContact O-N 2.87Å; T54-L56 PolarHBondContact O-N 2.82Å; T54-V57 PolarHBondContact O-N 3.45Å; T54-T58 HydrophobicContact CG2-CG2 4.12Å; T54-T58 WeakPolarHBondContact O-CB 3.36Å; T54-T58 WeakPolarHBondContact O-CG2 3.25Å; T54-T58 PolarHBondContact O-N 3.48Å; T54-T58 PolarHBondContact O-OG1 3.25Å; T54-L102 HydrophobicContact CG2-CD2 3.86Å; T54-L114 HydrophobicContact CG2-CD2 4.17Å; T54-L138 HydrophobicContact CG2-CD1 4.23Å; T54-L138 HydrophobicContact CG2-CD2 4.19Å; T54-L138 HydrophobicContact CG2-CG 4.38Å; T54-C142 PolarHBondContact OG1-SG 3.46Å; T54-C142 VanDerWaalsContact OG1-SG 3.39Å
55A97.3Very high96.4Very high8 Ų815 Ų157%0.06610%0.1CC..Hα-helixtrans-56.2-39.7178.700000112.4L51 T52 G59 V60 L62 A65L51-A55 WeakPolarHBondContact O-CB 3.27Å; L51-A55 PolarHBondContact O-N 2.84Å; T52-A55 PolarHBondContact O-N 2.82Å; A55-G59 CarbonylContact O-C 3.2Å; A55-G59 WeakPolarHBondContact O-CA 3.46Å; A55-G59 PolarHBondContact O-N 3.45Å; A55-V60 HydrophobicContact CB-CB 4.08Å; A55-V60 PolarHBondContact O-N 3.3Å; A55-L62 HydrophobicContact CB-CD2 4.43Å; A55-A65 HydrophobicContact CB-CB 4.27Å
56L96.6Very high96.3Very high11 Ų1115 Ų156%0.05810%0.1CC..Hα-helixtrans-67.5-47.7179.5-168.759.5000112.1F12 A26 L30 V37 I43 T52 A53 T54 G59F12-L56 HydrophobicContact CE2-CD2 3.94Å; F12-L56 HydrophobicContact CZ-CD2 3.94Å; A26-L56 HydrophobicContact CB-CD1 4.24Å; A26-L56 HydrophobicContact CB-CD2 4.45Å; L30-L56 HydrophobicContact CD1-CD1 3.69Å; L30-L56 HydrophobicContact CD2-CD1 4Å; L30-L56 HydrophobicContact CG-CD1 3.79Å; V37-L56 HydrophobicContact CG1-CD1 3.71Å; V37-L56 HydrophobicContact CG1-CD2 3.81Å; V37-L56 HydrophobicContact CG1-CG 3.58Å; V37-L56 HydrophobicContact CG2-CD1 4.44Å; V37-L56 HydrophobicContact CG2-CD2 4.23Å; I43-L56 HydrophobicContact CD1-CD2 4Å; I43-L56 HydrophobicContact CD1-CG 4.23Å; I43-L56 HydrophobicContact CG2-CD2 4.36Å; T52-L56 WeakPolarHBondContact O-CB 3.39Å; T52-L56 PolarHBondContact O-N 3.39Å; A53-L56 PolarHBondContact O-N 3.31Å; T54-L56 PolarHBondContact O-N 2.82Å; L56-G59 PolarHBondContact O-N 3.37Å
57V97.1Very high96.1Very high1 Ų115.9 Ų15.91%0.00611%0.107CC..Hα-helixtrans-69.1-44.3-179.5173.40000111.5I43 A53 T54 G59 R109 A110 R113 L114I43-V57 HydrophobicContact CB-CG2 3.72Å; I43-V57 HydrophobicContact CD1-CG2 3.8Å; I43-V57 HydrophobicContact CG1-CG2 4.07Å; I43-V57 HydrophobicContact CG2-CG2 4.27Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 2.88Å; T54-V57 PolarHBondContact O-N 3.45Å; V57-G59 PolarHBondContact O-N 2.97Å; V57-R109 WeakPolarHBondContact CG1-O 3.41Å; V57-R109 PolarHBondContact O-NH2 2.88Å; V57-A110 HydrophobicContact CG1-CB 4.47Å; V57-R113 HydrophobicContact CG1-CB 4.41Å; V57-L114 HydrophobicContact CB-CB 4.45Å; V57-L114 HydrophobicContact CG1-CB 4.24Å; V57-L114 HydrophobicContact CG2-CB 4.24Å; V57-L114 HydrophobicContact CG2-CD1 4.2Å
58T96.3Very high96Very high0 Ų016 Ų160%011%0.108CC..THydrogen-bonded Turntrans-81.63.4178.8700000112.4T54 V60 L102 R109 A110 L138T54-T58 HydrophobicContact CG2-CG2 4.12Å; T54-T58 WeakPolarHBondContact O-CB 3.36Å; T54-T58 WeakPolarHBondContact O-CG2 3.25Å; T54-T58 PolarHBondContact O-N 3.48Å; T54-T58 PolarHBondContact O-OG1 3.25Å; T58-V60 PolarHBondContact O-N 2.82Å; T58-V60 WeakPolarHBondContact OG1-CG2 3.45Å; T58-L102 HydrophobicContact CG2-CD2 4.14Å; T58-L102 WeakPolarHBondContact OG1-CD2 3.45Å; T58-R109 PolarHBondContact O-NH1 2.89Å; T58-R109 PolarHBondContact O-NH2 2.94Å; T58-R109 VanDerWaalsContact O-NH2 3.17Å; T58-A110 HydrophobicContact CG2-CB 4.47Å; T58-L138 HydrophobicContact CG2-CD2 4.27Å
59G94.3Very high95.9Very high45 Ų4517.1 Ų17.146%0.46411%0.113SC..THydrogen-bonded Turntrans50.740.3177.500000114A55 L56 V57A55-G59 CarbonylContact O-C 3.2Å; A55-G59 WeakPolarHBondContact O-CA 3.46Å; A55-G59 PolarHBondContact O-N 3.45Å; L56-G59 PolarHBondContact O-N 3.37Å; V57-G59 PolarHBondContact O-N 2.97Å
60V94.9Very high95.8Very high21 Ų2117.1 Ų17.113%0.12711%0.113CC..  trans-64.8144.9165.5170.20000107.9A55 T58 L62 A65 N101 L102A55-V60 HydrophobicContact CB-CB 4.08Å; A55-V60 PolarHBondContact O-N 3.3Å; T58-V60 PolarHBondContact O-N 2.82Å; T58-V60 WeakPolarHBondContact OG1-CG2 3.45Å; V60-L62 PolarHBondContact O-N 2.79Å; V60-L62 VanDerWaalsContact O-N 3.11Å; V60-A65 HydrophobicContact CG1-CB 4.49Å; V60-N101 HydrophobicContact CG1-CB 4.24Å; V60-N101 WeakPolarHBondContact CG2-O 3.48Å; V60-L102 HydrophobicContact CG2-CD2 4.05Å
61C94.5Very high95.5Very high59 Ų5921.4 Ų21.440%0.39913%0.133SC..  trans-58.2118.5173.8178.20000109.8G63 D64 A65C61-G63 PolarHBondContact O-N 3.48Å; C61-D64 HydrophobicContact CB-CB 4.09Å; C61-D64 VanDerWaalsContact CB-OD2 3.24Å; C61-D64 WeakPolarHBondContact CB-OD2 3.38Å; C61-D64 PolarHBondContact O-N 3.31Å; C61-A65 PolarHBondContact O-N 3.38Å
62L95.4Very high95.3Very high12 Ų1219.9 Ų19.96%0.06313%0.125CC..Hα-helixtrans-63-27.3179.5-68.3-177.3000112.4I23 A26 L30 A55 V60 G66 V316I23-L62 HydrophobicContact CD1-CD2 4.29Å; I23-L62 HydrophobicContact CG2-CB 4.3Å; I23-L62 WeakPolarHBondContact CG2-O 3.25Å; A26-L62 HydrophobicContact CB-CD1 3.71Å; A26-L62 HydrophobicContact CB-CD2 4.26Å; L30-L62 HydrophobicContact CD1-CD1 3.68Å; L30-L62 HydrophobicContact CD1-CG 4.36Å; A55-L62 HydrophobicContact CB-CD2 4.43Å; V60-L62 PolarHBondContact O-N 2.79Å; V60-L62 VanDerWaalsContact O-N 3.11Å; L62-G66 PolarHBondContact O-N 2.68Å; L62-V316 HydrophobicContact CB-CG2 4.38Å
63G94.1Very high95.1Very high0 Ų019.8 Ų19.80%013%0.125CC..Hα-helixtrans-62.2-46.9171.200000112.1C61 G66 A67 A319C61-G63 PolarHBondContact O-N 3.48Å; G63-G66 PolarHBondContact O-N 2.98Å; G63-A67 WeakPolarHBondContact O-CB 3.35Å; G63-A67 PolarHBondContact O-N 2.9Å; G63-A319 WeakPolarHBondContact O-CB 3.22Å
64D93.3Very high94.7Very high83 Ų8321.9 Ų21.944%0.44413%0.134SC..Hα-helixtrans-68.5-37.8178.5-62.1-24.2000111.7C61 A67 S68C61-D64 HydrophobicContact CB-CB 4.09Å; C61-D64 VanDerWaalsContact CB-OD2 3.24Å; C61-D64 WeakPolarHBondContact CB-OD2 3.38Å; C61-D64 PolarHBondContact O-N 3.31Å; D64-A67 PolarHBondContact O-N 2.8Å; D64-S68 VanDerWaalsContact O-CB 3.29Å; D64-S68 WeakPolarHBondContact O-CB 3.38Å; D64-S68 PolarHBondContact O-N 2.8Å; D64-S68 PolarHBondContact O-OG 3.38Å
65A94.9Very high94.3Very high13 Ų1325.7 Ų25.711%0.10715%0.151CC..Hα-helixtrans-62.5-46.5173.300000111.2I23 A55 V60 C61 S68 I69I23-A65 HydrophobicContact CD1-CB 3.81Å; A55-A65 HydrophobicContact CB-CB 4.27Å; V60-A65 HydrophobicContact CG1-CB 4.49Å; C61-A65 PolarHBondContact O-N 3.38Å; A65-S68 WeakPolarHBondContact O-CB 3.46Å; A65-S68 PolarHBondContact O-N 3.4Å; A65-I69 WeakPolarHBondContact O-CG1 3.25Å; A65-I69 PolarHBondContact O-N 2.86Å
66G95.1Very high93.9Very high0 Ų025.3 Ų25.30%015%0.149CC..Hα-helixtrans-63.6-42175.500000113.2I20 L62 G63 S68 I69 I70I20-G66 WeakPolarHBondContact CD1-O 3.45Å; L62-G66 PolarHBondContact O-N 2.68Å; G63-G66 PolarHBondContact O-N 2.98Å; G66-S68 VanDerWaalsContact C-N 3.31Å; G66-S68 PolarHBondContact O-N 2.84Å; G66-I69 PolarHBondContact O-N 3.29Å; G66-I70 PolarHBondContact O-N 2.86Å; G66-I70 VanDerWaalsContact O-N 3.07Å
67A94.2Very high93.5Very high19 Ų1930.1 Ų30.116%0.15717%0.166CC..Hα-helixtrans-60.8-41.4173.900000111.6G63 D64 I69 I70 E71 A323G63-A67 WeakPolarHBondContact O-CB 3.35Å; G63-A67 PolarHBondContact O-N 2.9Å; D64-A67 PolarHBondContact O-N 2.8Å; A67-I69 PolarHBondContact O-N 3.31Å; A67-I70 PolarHBondContact O-N 3.12Å; A67-E71 PolarHBondContact O-N 3.3Å; A67-A323 HydrophobicContact CB-CB 3.69Å
68S94.6Very high92.9Very high10 Ų1035.9 Ų35.97%0.0719%0.191CC..Hα-helixtrans-62.5-41176.2-610000111.6D64 A65 G66 I70 E71 V72 N101D64-S68 VanDerWaalsContact O-CB 3.29Å; D64-S68 WeakPolarHBondContact O-CB 3.38Å; D64-S68 PolarHBondContact O-N 2.8Å; D64-S68 PolarHBondContact O-OG 3.38Å; A65-S68 WeakPolarHBondContact O-CB 3.46Å; A65-S68 PolarHBondContact O-N 3.4Å; G66-S68 VanDerWaalsContact C-N 3.31Å; G66-S68 PolarHBondContact O-N 2.84Å; S68-I70 VanDerWaalsContact C-N 3.34Å; S68-I70 PolarHBondContact O-N 3.43Å; S68-E71 WeakPolarHBondContact O-CB 3.41Å; S68-E71 PolarHBondContact O-N 2.92Å; S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 2.99Å; S68-N101 PolarHBondContact OG-ND2 3.45Å
69I95.3Very high92.2Very high34 Ų3440.9 Ų40.917%0.17421%0.21CC..Hα-helixtrans-61.9-42173.9-66.1168.5000111.1I20 I23 A65 G66 A67 E71 V72 A73 M234I20-I69 HydrophobicContact CB-CG2 4.22Å; I20-I69 HydrophobicContact CD1-CB 4.32Å; I20-I69 HydrophobicContact CD1-CG2 4.4Å; I23-I69 HydrophobicContact CD1-CD1 4.31Å; I23-I69 HydrophobicContact CG1-CD1 3.85Å; A65-I69 WeakPolarHBondContact O-CG1 3.25Å; A65-I69 PolarHBondContact O-N 2.86Å; G66-I69 PolarHBondContact O-N 3.29Å; A67-I69 PolarHBondContact O-N 3.31Å; I69-E71 VanDerWaalsContact C-N 3.34Å; I69-V72 PolarHBondContact O-N 3.28Å; I69-A73 WeakPolarHBondContact O-CB 3.46Å; I69-A73 PolarHBondContact O-N 3.06Å; I69-M234 HydrophobicContact CG2-CE 3.74Å
70I94.3Very high91.1Very high0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-64.9-38.4175.3-69.2175.9000111.2I20 G66 A67 S68 A73 K74 P231 L320 A323I20-I70 HydrophobicContact CD1-CG1 4.37Å; G66-I70 PolarHBondContact O-N 2.86Å; G66-I70 VanDerWaalsContact O-N 3.07Å; A67-I70 PolarHBondContact O-N 3.12Å; S68-I70 VanDerWaalsContact C-N 3.34Å; S68-I70 PolarHBondContact O-N 3.43Å; I70-A73 PolarHBondContact O-N 3.49Å; I70-K74 HydrophobicContact CG2-CD 4.3Å; I70-K74 HydrophobicContact CG2-CG 4.42Å; I70-K74 WeakPolarHBondContact O-CG 3.5Å; I70-K74 PolarHBondContact O-N 2.73Å; I70-P231 HydrophobicContact CG2-CB 3.93Å; I70-P231 HydrophobicContact CG2-CG 4.29Å; I70-L320 HydrophobicContact CD1-CB 4.32Å; I70-L320 HydrophobicContact CD1-CD2 3.55Å; I70-L320 HydrophobicContact CG1-CD2 4.44Å; I70-A323 HydrophobicContact CB-CB 4.04Å; I70-A323 HydrophobicContact CD1-CB 4.17Å; I70-A323 HydrophobicContact CG2-CB 3.95Å; I70-A323 VanDerWaalsContact CG2-O 3.32Å; I70-A323 WeakPolarHBondContact CG2-O 3.36Å
71E92.7Very high90.2Very high89 Ų8947.1 Ų47.142%0.41623%0.231SC..Hα-helixtrans-59.7-48.3175.5-171-179.9174.600110.9A67 S68 I69 A73 K74 E75 R100A67-E71 PolarHBondContact O-N 3.3Å; S68-E71 WeakPolarHBondContact O-CB 3.41Å; S68-E71 PolarHBondContact O-N 2.92Å; I69-E71 VanDerWaalsContact C-N 3.34Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 3.16Å; E71-K74 WeakPolarHBondContact O-CB 3.4Å; E71-K74 PolarHBondContact O-N 3.31Å; E71-E75 PolarHBondContact O-N 3.12Å; E71-R100 IonicContact OE2-CZ 3.55Å; E71-R100 IonicContact OE2-NH1 3.24Å; E71-R100 IonicContact OE2-NH2 2.68Å; E71-R100 PolarHBondContact OE2-NH2 2.92Å
72V92.9Very high89.7Confident10 Ų1044.9 Ų44.96%0.06122%0.218CC..Hα-helixtrans-60.8-42.8174.8-172.50000111.3F17 S68 I69 K74 E75 A76 F88 L90 I93 L97F17-V72 HydrophobicContact CE1-CB 4.12Å; F17-V72 HydrophobicContact CE1-CG1 3.72Å; F17-V72 HydrophobicContact CZ-CG1 4.07Å; S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 2.99Å; I69-V72 PolarHBondContact O-N 3.28Å; V72-K74 VanDerWaalsContact C-N 3.32Å; V72-K74 PolarHBondContact O-N 3.27Å; V72-E75 PolarHBondContact O-N 3.39Å; V72-A76 WeakPolarHBondContact O-CB 3.43Å; V72-A76 PolarHBondContact O-N 3.19Å; V72-F88 HydrophobicContact CG1-CE2 4.44Å; V72-F88 HydrophobicContact CG1-CZ 4.12Å; V72-L90 HydrophobicContact CG1-CD1 3.41Å; V72-L90 VanDerWaalsContact CG1-CD1 3.41Å; V72-I93 HydrophobicContact CB-CG2 4.38Å; V72-I93 HydrophobicContact CG1-CG2 4.31Å; V72-I93 HydrophobicContact CG2-CG2 3.62Å; V72-L97 HydrophobicContact CG2-CD1 3.36Å
73A92.9Very high89.1Confident0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-63.8-37.4178.600000112.5F17 I69 I70 E71 R77 P228 M234F17-A73 HydrophobicContact CD1-CB 3.93Å; F17-A73 HydrophobicContact CE1-CB 4.05Å; I69-A73 WeakPolarHBondContact O-CB 3.46Å; I69-A73 PolarHBondContact O-N 3.06Å; I70-A73 PolarHBondContact O-N 3.49Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 3.16Å; A73-R77 WeakPolarHBondContact O-CB 3.43Å; A73-R77 WeakPolarHBondContact O-CD 3.18Å; A73-R77 WeakPolarHBondContact O-CG 3.26Å; A73-R77 PolarHBondContact O-N 3.21Å; A73-R77 VanDerWaalsContact O-N 3.13Å; A73-P228 HydrophobicContact CB-CB 3.64Å; A73-P228 HydrophobicContact CB-CG 4.19Å; A73-M234 HydrophobicContact CB-CE 3.79Å; A73-M234 HydrophobicContact CB-SD 3.42Å; A73-M234 WeakPolarHBondContact CB-SD 3.48Å
74K90.6Very high88.5Confident44 Ų4448.9 Ų48.919%0.19124%0.238CC..Hα-helixtrans-63.8-47.5173.3-78.5180166.5-172.80110.7I70 E71 V72 A76 R77 K78 P231 A323 C324 L325I70-K74 HydrophobicContact CG2-CD 4.3Å; I70-K74 HydrophobicContact CG2-CG 4.42Å; I70-K74 WeakPolarHBondContact O-CG 3.5Å; I70-K74 PolarHBondContact O-N 2.73Å; E71-K74 WeakPolarHBondContact O-CB 3.4Å; E71-K74 PolarHBondContact O-N 3.31Å; V72-K74 VanDerWaalsContact C-N 3.32Å; V72-K74 PolarHBondContact O-N 3.27Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-A76 PolarHBondContact O-N 3.05Å; K74-R77 PolarHBondContact O-N 3.28Å; K74-K78 WeakPolarHBondContact O-CG 3.33Å; K74-K78 PolarHBondContact O-N 2.89Å; K74-P231 HydrophobicContact CD-CG 4.5Å; K74-P231 HydrophobicContact CG-CG 3.93Å; K74-A323 WeakPolarHBondContact CE-O 3.44Å; K74-A323 PolarHBondContact NZ-O 3.02Å; K74-C324 PolarHBondContact NZ-O 3.27Å; K74-L325 PolarHBondContact NZ-O 3.41Å
75E89.2Confident87.9Confident80 Ų8045.4 Ų45.437%0.37422%0.219SC..Hα-helixtrans-57.7-46.4176.6-162.664.1-139.400111.7E71 V72 R77 K78 F88 I93E71-E75 PolarHBondContact O-N 3.12Å; V72-E75 PolarHBondContact O-N 3.39Å; E75-R77 PolarHBondContact O-N 3.42Å; E75-K78 PolarHBondContact O-N 3.32Å; E75-K78 WeakPolarHBondContact OE1-CD 3.44Å; E75-K78 IonicContact OE1-NZ 3.77Å; E75-K78 PolarHBondContact OE1-NZ 2.9Å; E75-K78 WeakPolarHBondContact OE2-CE 3.45Å; E75-K78 IonicContact OE2-NZ 2.86Å; E75-K78 PolarHBondContact OE2-NZ 2.85Å; E75-F88 HydrophobicContact CB-CD2 4.41Å; E75-F88 HydrophobicContact CB-CE2 4.09Å; E75-F88 HydrophobicContact CG-CD2 4.07Å; E75-F88 HydrophobicContact CG-CE2 4.17Å; E75-I93 HydrophobicContact CB-CD1 4.2Å; E75-I93 HydrophobicContact CG-CD1 3.71Å
76A88.8Confident86.9Confident1 Ų146.3 Ų46.31%0.00822%0.224CC..Hα-helixtrans-63.2-19.817700000113.5F17 V72 K74 G82 P83 F88 P228F17-A76 HydrophobicContact CE1-CB 4.42Å; F17-A76 HydrophobicContact CE2-CB 4.44Å; F17-A76 HydrophobicContact CZ-CB 3.78Å; V72-A76 WeakPolarHBondContact O-CB 3.43Å; V72-A76 PolarHBondContact O-N 3.19Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-A76 PolarHBondContact O-N 3.05Å; A76-G82 CarbonylContact O-C 2.88Å; A76-G82 WeakPolarHBondContact O-CA 3.3Å; A76-P83 HydrophobicContact CB-CB 4.24Å; A76-P83 VanDerWaalsContact O-N 3.16Å; A76-F88 HydrophobicContact CB-CD2 4.27Å; A76-F88 HydrophobicContact CB-CE1 4.22Å; A76-F88 HydrophobicContact CB-CE2 3.66Å; A76-F88 HydrophobicContact CB-CZ 3.62Å; A76-P228 HydrophobicContact CB-CG 3.72Å
77R88.3Confident86.2Confident111 Ų11149.2 Ų49.242%0.41924%0.241SC..Hα-helixtrans-101.9-3.9-179.3-70.6170.86394.46113.7A73 K74 E75 R79 P228 P229A73-R77 WeakPolarHBondContact O-CB 3.43Å; A73-R77 WeakPolarHBondContact O-CD 3.18Å; A73-R77 WeakPolarHBondContact O-CG 3.26Å; A73-R77 PolarHBondContact O-N 3.21Å; A73-R77 VanDerWaalsContact O-N 3.13Å; K74-R77 PolarHBondContact O-N 3.28Å; E75-R77 PolarHBondContact O-N 3.42Å; R77-R79 PolarHBondContact O-N 3.44Å; R77-P228 HydrophobicContact CG-CG 4.04Å; R77-P228 PolarHBondContact NH1-O 3.39Å; R77-P229 WeakPolarHBondContact CD-O 3.43Å; R77-P229 PolarHBondContact NH1-O 3.47Å
78K85.4Confident85.7Confident122 Ų12249 Ų4953%0.5324%0.237SC..SBendtrans-62.7-26.9-174.8-76.8-174-175.4170.90113.8K74 E75K74-K78 WeakPolarHBondContact O-CG 3.33Å; K74-K78 PolarHBondContact O-N 2.89Å; E75-K78 PolarHBondContact O-N 3.32Å; E75-K78 WeakPolarHBondContact OE1-CD 3.44Å; E75-K78 IonicContact OE1-NZ 3.77Å; E75-K78 PolarHBondContact OE1-NZ 2.9Å; E75-K78 WeakPolarHBondContact OE2-CE 3.45Å; E75-K78 IonicContact OE2-NZ 2.86Å; E75-K78 PolarHBondContact OE2-NZ 2.85Å
79R80.2Confident85.3Confident105 Ų10550.2 Ų50.240%0.39624%0.243SC..SBendtrans-124.2159.7-171.3-60.9-177177.2-108.32.9111.5R77 L81 G82 H85 T87 E355R77-R79 PolarHBondContact O-N 3.44Å; R79-L81 PolarHBondContact O-N 3.22Å; R79-G82 WeakPolarHBondContact O-CA 3.26Å; R79-G82 PolarHBondContact O-N 2.74Å; R79-H85 HydrophobicContact CB-CB 4.27Å; R79-H85 WeakPolarHBondContact CD-CE1 3.41Å; R79-H85 VanDerWaalsContact CD-CG 3.42Å; R79-H85 WeakPolarHBondContact CD-ND1 3.23Å; R79-H85 WeakPolarHBondContact CD-NE2 3.16Å; R79-T87 PolarHBondContact NE-OG1 3.46Å; R79-E355 IonicContact CZ-OE1 2.75Å; R79-E355 IonicContact CZ-OE2 2.72Å; R79-E355 IonicContact NH1-OE1 3.98Å; R79-E355 PolarHBondContact NH1-OE1 3.05Å; R79-E355 IonicContact NH1-OE2 3.79Å; R79-E355 PolarHBondContact NH1-OE2 3.12Å; R79-E355 IonicContact NH2-OE1 3.72Å
80L72.1Confident85Confident129 Ų12949.7 Ų49.768%0.67524%0.24SC*.THydrogen-bonded Turntrans-61.1-38.2-171.4-172.666.7000113.9G82 L348L80-G82 PolarHBondContact O-N 3.08Å; L80-L348 HydrophobicContact CB-CD1 4.4Å; L80-L348 HydrophobicContact CD2-CD1 3.87Å; L80-L348 HydrophobicContact CD2-CD2 3.85Å; L80-L348 HydrophobicContact CD2-CG 4.5Å
81L75.5Confident84.8Confident68 Ų6850.7 Ų50.736%0.35625%0.246SC..THydrogen-bonded Turntrans-78.6-0.1174.5-62.4-172.6000113.5R79 M84 H85 L352R79-L81 PolarHBondContact O-N 3.22Å; L81-M84 HydrophobicContact CB-CB 4.36Å; L81-M84 WeakPolarHBondContact O-CB 3.5Å; L81-M84 PolarHBondContact O-N 3.25Å; L81-H85 HydrophobicContact CB-CB 4.2Å; L81-L352 HydrophobicContact CD1-CD1 3.48Å; L81-L352 VanDerWaalsContact CD1-CD1 3.48Å; L81-L352 HydrophobicContact CD1-CD2 4.29Å; L81-L352 HydrophobicContact CD1-CG 4.48Å; L81-L352 HydrophobicContact CG-CD1 4.16Å
82G84Confident84.7Confident13 Ų1351.3 Ų51.313%0.13425%0.248CC..G310 helixtrans52.3-126.9-17800000112.6A76 R79 L80 M84 H85A76-G82 CarbonylContact O-C 2.88Å; A76-G82 WeakPolarHBondContact O-CA 3.3Å; R79-G82 WeakPolarHBondContact O-CA 3.26Å; R79-G82 PolarHBondContact O-N 2.74Å; L80-G82 PolarHBondContact O-N 3.08Å; G82-M84 PolarHBondContact O-N 3.35Å; G82-H85 VanDerWaalsContact O-CB 3.25Å; G82-H85 WeakPolarHBondContact O-CB 3.37Å; G82-H85 PolarHBondContact O-N 2.74Å; G82-H85 VanDerWaalsContact O-N 3.11Å
83P82.3Confident84.6Confident7 Ų752.5 Ų52.55%0.04525%0.253CS..G310 helixtrans-69.9-13.6-179.828.9-33.7000113.7A76 H85 F88 Y151 F227A76-P83 HydrophobicContact CB-CB 4.24Å; A76-P83 VanDerWaalsContact O-N 3.16Å; P83-H85 PolarHBondContact O-N 3.35Å; P83-F88 HydrophobicContact CB-CD1 3.94Å; P83-F88 HydrophobicContact CB-CE1 3.84Å; P83-F88 WeakPolarHBondContact O-CD1 3.39Å; P83-Y151 HydrophobicContact CB-CE1 4.49Å; P83-Y151 HydrophobicContact CB-CE2 4.23Å; P83-Y151 WeakPolarHBondContact CB-OH 3.27Å; P83-Y151 HydrophobicContact CG-CE2 4.25Å; P83-Y151 WeakPolarHBondContact CG-OH 3.36Å; P83-F227 HydrophobicContact CG-CD1 3.65Å; P83-F227 HydrophobicContact CG-CE1 3.85Å
84M81.3Confident84.6Confident89 Ų8953.3 Ų53.344%0.43826%0.258SS..G310 helixtrans-82-2.6173.9-59.4-68.693.500112.4L81 G82 Y151 F227L81-M84 HydrophobicContact CB-CB 4.36Å; L81-M84 WeakPolarHBondContact O-CB 3.5Å; L81-M84 PolarHBondContact O-N 3.25Å; G82-M84 PolarHBondContact O-N 3.35Å; M84-Y151 HydrophobicContact CE-CD2 3.14Å; M84-Y151 HydrophobicContact CE-CE2 3.31Å; M84-Y151 HydrophobicContact CE-CG 3.86Å; M84-F227 HydrophobicContact CG-CE1 4.03Å; M84-F227 HydrophobicContact CG-CZ 4.25Å
85H80.6Confident84.8Confident10 Ų1054.2 Ų54.25%0.04626%0.26CS..SBendtrans-68.4132.2176.5-163.3-85.7000110.7R79 L81 G82 P83 T87 F88 E355R79-H85 HydrophobicContact CB-CB 4.27Å; R79-H85 WeakPolarHBondContact CD-CE1 3.41Å; R79-H85 VanDerWaalsContact CD-CG 3.42Å; R79-H85 WeakPolarHBondContact CD-ND1 3.23Å; R79-H85 WeakPolarHBondContact CD-NE2 3.16Å; L81-H85 HydrophobicContact CB-CB 4.2Å; G82-H85 VanDerWaalsContact O-CB 3.25Å; G82-H85 WeakPolarHBondContact O-CB 3.37Å; G82-H85 PolarHBondContact O-N 2.74Å; G82-H85 VanDerWaalsContact O-N 3.11Å; P83-H85 PolarHBondContact O-N 3.35Å; H85-T87 PolarHBondContact CE1-OG1 2.79Å; H85-T87 PolarHBondContact ND1-N 3.36Å; H85-T87 PolarHBondContact ND1-OG1 3.29Å; H85-T87 PolarHBondContact O-N 2.82Å; H85-T87 VanDerWaalsContact O-N 3.11Å; H85-F88 WeakPolarHBondContact O-CB 3.29Å; H85-F88 PolarHBondContact O-N 2.97Å; H85-E355 IonicContact CE1-OE2 2.98Å; H85-E355 PolarHBondContact CE1-OE2 3.39Å; H85-E355 IonicContact NE2-OE2 3.52Å; H85-E355 PolarHBondContact NE2-OE2 3.48Å; H85-E355 VanDerWaalsContact NE2-OE2 3.14Å
86P75.1Confident85.1Confident32 Ų3256.9 Ų56.921%0.20827%0.272CS..THydrogen-bonded Turntrans-59.7-29.9-174.524-37.1000113.6F88 S356 S359 R363P86-F88 VanDerWaalsContact C-N 3.26Å; P86-F88 PolarHBondContact O-N 2.9Å; P86-S356 WeakPolarHBondContact CG-OG 3.15Å; P86-S359 VanDerWaalsContact C-OG 3.32Å; P86-S359 PolarHBondContact O-OG 3.44Å; P86-R363 VanDerWaalsContact O-CZ 3.27Å; P86-R363 PolarHBondContact O-NE 2.91Å; P86-R363 PolarHBondContact O-NH2 2.99Å
87T79.1Confident85.3Confident60 Ų6057.4 Ų57.437%0.36828%0.275SS..THydrogen-bonded Turntrans-73.9-15.417768.30000113.6R79 H85 N89R79-T87 PolarHBondContact NE-OG1 3.46Å; H85-T87 PolarHBondContact CE1-OG1 2.79Å; H85-T87 PolarHBondContact ND1-N 3.36Å; H85-T87 PolarHBondContact ND1-OG1 3.29Å; H85-T87 PolarHBondContact O-N 2.82Å; H85-T87 VanDerWaalsContact O-N 3.11Å; T87-N89 PolarHBondContact O-N 2.82Å
88F84.1Confident85.7Confident16 Ų1653.2 Ų53.27%0.0726%0.261CS..  trans-80.1119.1177.5179.8-106000109.4F17 V72 E75 A76 P83 H85 P86 L90 I93 R363F17-F88 HydrophobicContact CZ-CZ 4.36Å; V72-F88 HydrophobicContact CG1-CE2 4.44Å; V72-F88 HydrophobicContact CG1-CZ 4.12Å; E75-F88 HydrophobicContact CB-CD2 4.41Å; E75-F88 HydrophobicContact CB-CE2 4.09Å; E75-F88 HydrophobicContact CG-CD2 4.07Å; E75-F88 HydrophobicContact CG-CE2 4.17Å; A76-F88 HydrophobicContact CB-CD2 4.27Å; A76-F88 HydrophobicContact CB-CE1 4.22Å; A76-F88 HydrophobicContact CB-CE2 3.66Å; A76-F88 HydrophobicContact CB-CZ 3.62Å; P83-F88 HydrophobicContact CB-CD1 3.94Å; P83-F88 HydrophobicContact CB-CE1 3.84Å; P83-F88 WeakPolarHBondContact O-CD1 3.39Å; H85-F88 WeakPolarHBondContact O-CB 3.29Å; H85-F88 PolarHBondContact O-N 2.97Å; P86-F88 VanDerWaalsContact C-N 3.26Å; P86-F88 PolarHBondContact O-N 2.9Å; F88-L90 HydrophobicContact CE1-CB 3.81Å; F88-L90 HydrophobicContact CE1-CD1 4.5Å; F88-L90 HydrophobicContact CZ-CB 4.1Å; F88-L90 HydrophobicContact CZ-CD1 4.08Å; F88-I93 HydrophobicContact CD2-CD1 3.96Å; F88-I93 HydrophobicContact CE2-CD1 3.57Å; F88-I93 HydrophobicContact CZ-CD1 4.35Å; F88-R363 PolarHBondContact O-NH2 3.45Å
89N86.8Confident86.2Confident35 Ų3553.1 Ų53.119%0.18726%0.257CS..  trans-12392.1179-174-26.4000109.4T87 V91 K92 I93T87-N89 PolarHBondContact O-N 2.82Å; N89-V91 VanDerWaalsContact C-N 3.28Å; N89-V91 PolarHBondContact O-N 3.4Å; N89-V91 PolarHBondContact OD1-N 2.84Å; N89-K92 HydrophobicContact CB-CB 4.03Å; N89-K92 PolarHBondContact O-N 3.2Å; N89-K92 PolarHBondContact OD1-N 2.9Å; N89-I93 WeakPolarHBondContact O-CD1 3.3Å; N89-I93 VanDerWaalsContact O-CG1 3.3Å; N89-I93 WeakPolarHBondContact O-CG1 3.24Å; N89-I93 PolarHBondContact O-N 3.1Å
90L88.6Confident86.8Confident23 Ų2355 Ų5512%0.1226%0.264CS..Hα-helixtrans-57.1-43.1-179-179.858.4000111.8V72 F88 K92 I93 V94 Y151V72-L90 HydrophobicContact CG1-CD1 3.41Å; V72-L90 VanDerWaalsContact CG1-CD1 3.41Å; F88-L90 HydrophobicContact CE1-CB 3.81Å; F88-L90 HydrophobicContact CE1-CD1 4.5Å; F88-L90 HydrophobicContact CZ-CB 4.1Å; F88-L90 HydrophobicContact CZ-CD1 4.08Å; L90-K92 PolarHBondContact O-N 3.29Å; L90-I93 PolarHBondContact O-N 2.98Å; L90-V94 HydrophobicContact CD1-CG2 3.71Å; L90-V94 HydrophobicContact CG-CG2 4.15Å; L90-V94 WeakPolarHBondContact O-CB 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.33Å; L90-V94 PolarHBondContact O-N 3.28Å; L90-Y151 HydrophobicContact CD2-CD1 4.48Å; L90-Y151 HydrophobicContact CD2-CE1 3.96Å
91V89.9Confident87.8Confident20 Ų2050.9 Ų50.912%0.12124%0.243CC..Hα-helixtrans-59.9-47.4-178.2173.50000111.2N89 R95 V143 Y147 C152N89-V91 VanDerWaalsContact C-N 3.28Å; N89-V91 PolarHBondContact O-N 3.4Å; N89-V91 PolarHBondContact OD1-N 2.84Å; V91-R95 VanDerWaalsContact O-CB 3.26Å; V91-R95 WeakPolarHBondContact O-CB 3.47Å; V91-R95 PolarHBondContact O-N 2.92Å; V91-V143 HydrophobicContact CG1-CG1 3.62Å; V91-Y147 HydrophobicContact CG2-CD2 3.64Å; V91-Y147 HydrophobicContact CG2-CE2 4.09Å; V91-C152 HydrophobicContact CG2-CB 3.93Å
92K90.5Very high88.8Confident103 Ų10348 Ų4845%0.44823%0.228SC..Hα-helixtrans-62.5-44.7179.4-173172-176.4170.30111.5N89 L90 Q96 E366N89-K92 HydrophobicContact CB-CB 4.03Å; N89-K92 PolarHBondContact O-N 3.2Å; N89-K92 PolarHBondContact OD1-N 2.9Å; L90-K92 PolarHBondContact O-N 3.29Å; K92-Q96 WeakPolarHBondContact O-CB 3.43Å; K92-Q96 PolarHBondContact O-N 3.27Å; K92-E366 IonicContact NZ-OE1 3.86Å; K92-E366 PolarHBondContact NZ-OE1 2.98Å
93I91.8Very high89.3Confident34 Ų3449.3 Ų49.317%0.17423%0.234CC..Hα-helixtrans-64.5-50.3179.6-62.7162.2000110.6V72 E75 F88 N89 L90 R95 Q96 L97V72-I93 HydrophobicContact CB-CG2 4.38Å; V72-I93 HydrophobicContact CG1-CG2 4.31Å; V72-I93 HydrophobicContact CG2-CG2 3.62Å; E75-I93 HydrophobicContact CB-CD1 4.2Å; E75-I93 HydrophobicContact CG-CD1 3.71Å; F88-I93 HydrophobicContact CD2-CD1 3.96Å; F88-I93 HydrophobicContact CE2-CD1 3.57Å; F88-I93 HydrophobicContact CZ-CD1 4.35Å; N89-I93 WeakPolarHBondContact O-CD1 3.3Å; N89-I93 VanDerWaalsContact O-CG1 3.3Å; N89-I93 WeakPolarHBondContact O-CG1 3.24Å; N89-I93 PolarHBondContact O-N 3.1Å; L90-I93 PolarHBondContact O-N 2.98Å; I93-R95 PolarHBondContact O-N 3.37Å; I93-Q96 PolarHBondContact O-N 2.85Å; I93-L97 HydrophobicContact CG2-CD1 3.74Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.17Å
94V92.9Very high89.8Confident17 Ų1753.4 Ų53.410%0.10327%0.269CS..Hα-helixtrans-60.2-45.4179.5169.50000111L51 L90 Q96 L97 L98L51-V94 HydrophobicContact CD1-CG1 4.34Å; L51-V94 HydrophobicContact CD2-CG1 4.25Å; L90-V94 HydrophobicContact CD1-CG2 3.71Å; L90-V94 HydrophobicContact CG-CG2 4.15Å; L90-V94 WeakPolarHBondContact O-CB 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.33Å; L90-V94 PolarHBondContact O-N 3.28Å; V94-Q96 VanDerWaalsContact C-N 3.34Å; V94-Q96 PolarHBondContact O-N 3.33Å; V94-L97 PolarHBondContact O-N 3.1Å; V94-L98 HydrophobicContact CG1-CD1 3.75Å; V94-L98 HydrophobicContact CG1-CG 4.24Å; V94-L98 WeakPolarHBondContact O-CB 3.44Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 2.88Å
95R95.4Very high90.4Very high64 Ų6453.1 Ų53.124%0.24227%0.269CS..Hα-helixtrans-58.7-44.9176.9-175.6177.2-71.4139.4-6.1111.8V91 I93 L98 R99 I139 V143V91-R95 VanDerWaalsContact O-CB 3.26Å; V91-R95 WeakPolarHBondContact O-CB 3.47Å; V91-R95 PolarHBondContact O-N 2.92Å; I93-R95 PolarHBondContact O-N 3.37Å; R95-L98 PolarHBondContact O-N 3.17Å; R95-R99 WeakPolarHBondContact O-CB 3.18Å; R95-R99 WeakPolarHBondContact O-CG 3.3Å; R95-R99 PolarHBondContact O-N 3.49Å; R95-I139 HydrophobicContact CG-CG2 3.94Å; R95-V143 HydrophobicContact CB-CG2 4.11Å
96Q94.6Very high91.1Very high135 Ų13552.6 Ų52.663%0.63127%0.266SS*.Hα-helixtrans-63.4-44.1178.2-176.2177.9-1.100112.1K92 I93 V94 R99 R100K92-Q96 WeakPolarHBondContact O-CB 3.43Å; K92-Q96 PolarHBondContact O-N 3.27Å; I93-Q96 PolarHBondContact O-N 2.85Å; V94-Q96 VanDerWaalsContact C-N 3.34Å; V94-Q96 PolarHBondContact O-N 3.33Å; Q96-R99 PolarHBondContact O-N 2.95Å; Q96-R100 WeakPolarHBondContact O-CB 3.21Å; Q96-R100 PolarHBondContact O-N 2.91Å
97L93.4Very high92Very high13 Ų1351.8 Ų51.87%0.06826%0.261CS..Hα-helixtrans-65.3-41.5178.9-68.6169.4000111.9V72 I93 V94 R100 N101V72-L97 HydrophobicContact CG2-CD1 3.36Å; I93-L97 HydrophobicContact CG2-CD1 3.74Å; I93-L97 HydrophobicContact CG2-CG 4.38Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.17Å; V94-L97 PolarHBondContact O-N 3.1Å; L97-R100 PolarHBondContact O-N 3.39Å; L97-N101 WeakPolarHBondContact O-CB 3.24Å; L97-N101 VanDerWaalsContact O-CG 3.24Å; L97-N101 PolarHBondContact O-N 3.3Å; L97-N101 PolarHBondContact O-ND2 3.36Å
98L95.4Very high92.8Very high22 Ų2256.6 Ų56.612%0.11528%0.279CS..Hα-helixtrans-64.5-43.8175.4-70.8171.6000111.7L51 V94 R95 R100 N101 L102 I139 C142L51-L98 HydrophobicContact CD2-CD1 4Å; L51-L98 HydrophobicContact CD2-CD2 4.17Å; V94-L98 HydrophobicContact CG1-CD1 3.75Å; V94-L98 HydrophobicContact CG1-CG 4.24Å; V94-L98 WeakPolarHBondContact O-CB 3.44Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 2.88Å; R95-L98 PolarHBondContact O-N 3.17Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 2.85Å; L98-N101 PolarHBondContact O-N 3.4Å; L98-L102 HydrophobicContact CB-CD1 4.13Å; L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 HydrophobicContact CD2-CG 4.5Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.27Å; L98-I139 HydrophobicContact CB-CD1 4.34Å; L98-I139 HydrophobicContact CB-CG1 3.99Å; L98-I139 HydrophobicContact CB-CG2 4.17Å; L98-I139 HydrophobicContact CD1-CG2 4.19Å; L98-C142 HydrophobicContact CD1-CB 3.58Å
99R95.8Very high93.4Very high120 Ų12059.3 Ų59.345%0.45329%0.289SS..Hα-helixtrans-59.1-41.4174.9-76.7-176.9178.1154.50.2112.2R95 Q96 K135 E136 I139R95-R99 WeakPolarHBondContact O-CB 3.18Å; R95-R99 WeakPolarHBondContact O-CG 3.3Å; R95-R99 PolarHBondContact O-N 3.49Å; Q96-R99 PolarHBondContact O-N 2.95Å; R99-K135 PolarHBondContact O-NZ 3.23Å; R99-E136 IonicContact CZ-OE1 2.56Å; R99-E136 IonicContact CZ-OE2 3.14Å; R99-E136 IonicContact NE-OE1 3.06Å; R99-E136 PolarHBondContact NE-OE1 3.45Å; R99-E136 IonicContact NE-OE2 3.14Å; R99-E136 PolarHBondContact NE-OE2 2.96Å; R99-E136 IonicContact NH2-OE2 3.04Å; R99-E136 PolarHBondContact NH2-OE2 3.34Å; R99-I139 HydrophobicContact CB-CD1 4.28Å; R99-I139 HydrophobicContact CG-CD1 3.51Å
100R94.3Very high93.8Very high144 Ų14457.6 Ų57.654%0.54328%0.28SS..Hα-helixtrans-66.9-45.8178.7-176177.374.6-170.40.4112.4E71 Q96 L97 L98E71-R100 IonicContact OE2-CZ 3.55Å; E71-R100 IonicContact OE2-NH1 3.24Å; E71-R100 IonicContact OE2-NH2 2.68Å; E71-R100 PolarHBondContact OE2-NH2 2.92Å; Q96-R100 WeakPolarHBondContact O-CB 3.21Å; Q96-R100 PolarHBondContact O-N 2.91Å; L97-R100 PolarHBondContact O-N 3.39Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 2.85Å
101N92.7Very high94.2Very high44 Ų4458.8 Ų58.824%0.23529%0.286CS..Hα-helixtrans-93.9-27-167.1-61.9-18.1000113.7V60 S68 L97 L98V60-N101 HydrophobicContact CG1-CB 4.24Å; V60-N101 WeakPolarHBondContact CG2-O 3.48Å; S68-N101 PolarHBondContact OG-ND2 3.45Å; L97-N101 WeakPolarHBondContact O-CB 3.24Å; L97-N101 VanDerWaalsContact O-CG 3.24Å; L97-N101 PolarHBondContact O-N 3.3Å; L97-N101 PolarHBondContact O-ND2 3.36Å; L98-N101 PolarHBondContact O-N 3.4Å
102L95.9Very high94.4Very high8 Ų859.9 Ų59.94%0.04230%0.302CS..SBendtrans-72.7132.8-179.1-73.9171.3000111.2T54 T58 V60 L98 K135 L138 I139T54-L102 HydrophobicContact CG2-CD2 3.86Å; T58-L102 HydrophobicContact CG2-CD2 4.14Å; T58-L102 WeakPolarHBondContact OG1-CD2 3.45Å; V60-L102 HydrophobicContact CG2-CD2 4.05Å; L98-L102 HydrophobicContact CB-CD1 4.13Å; L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 HydrophobicContact CD2-CG 4.5Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.35Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.27Å; L102-K135 HydrophobicContact CB-CD 4.47Å; L102-K135 PolarHBondContact O-NZ 2.93Å; L102-L138 HydrophobicContact CD1-CD2 4.38Å; L102-I139 HydrophobicContact CD1-CD1 4.12Å; L102-I139 HydrophobicContact CD1-CG1 3.58Å
103P94.8Very high94.6Very high40 Ų4058 Ų5826%0.2629%0.292SS..  trans-70.3160.9175.432.5-35.8000110.9D105 S106P103-D105 VanDerWaalsContact C-N 3.27Å; P103-D105 VanDerWaalsContact CB-OD1 3.3Å; P103-D105 WeakPolarHBondContact CB-OD1 3.32Å; P103-D105 WeakPolarHBondContact CG-OD1 3.5Å; P103-D105 PolarHBondContact O-N 3.06Å; P103-S106 VanDerWaalsContact O-CB 3.26Å; P103-S106 WeakPolarHBondContact O-CB 3.39Å; P103-S106 PolarHBondContact O-N 2.81Å; P103-S106 PolarHBondContact O-OG 2.83Å
104A92.7Very high94.9Very high93 Ų9356.4 Ų56.477%0.76928%0.283SS*.THydrogen-bonded Turntrans-65.3-29.9-177.600000113.2S106A104-S106 PolarHBondContact O-N 2.88Å
105D93.9Very high95.2Very high82 Ų8255.6 Ų55.644%0.43928%0.278SS..THydrogen-bonded Turntrans-8511.6177.770.5-28.2000113.3P103 P107 H108 R109P103-D105 VanDerWaalsContact C-N 3.27Å; P103-D105 VanDerWaalsContact CB-OD1 3.3Å; P103-D105 WeakPolarHBondContact CB-OD1 3.32Å; P103-D105 WeakPolarHBondContact CG-OD1 3.5Å; P103-D105 PolarHBondContact O-N 3.06Å; D105-P107 VanDerWaalsContact C-CD 3.41Å; D105-H108 PolarHBondContact O-N 3.31Å; D105-R109 PolarHBondContact O-N 2.95Å; D105-R109 VanDerWaalsContact OD2-CD 3.29Å; D105-R109 WeakPolarHBondContact OD2-CD 3.09Å
106S95.2Very high95.3Very high0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-54.7-41-177.262.30000114.6P103 A104 R109 A110P103-S106 VanDerWaalsContact O-CB 3.26Å; P103-S106 WeakPolarHBondContact O-CB 3.39Å; P103-S106 PolarHBondContact O-N 2.81Å; P103-S106 PolarHBondContact O-OG 2.83Å; A104-S106 PolarHBondContact O-N 2.88Å; S106-R109 PolarHBondContact O-N 2.78Å; S106-A110 VanDerWaalsContact O-CB 3.27Å; S106-A110 WeakPolarHBondContact O-CB 3.27Å; S106-A110 PolarHBondContact O-N 2.69Å
107P94.7Very high95.5Very high14 Ų1446.1 Ų46.19%0.09124%0.237CC..Hα-helixtrans-65.4-42.3-179.4-19.935.2000112.3D105 R109 A110 N111 F132 D134 K135D105-P107 VanDerWaalsContact C-CD 3.41Å; P107-R109 PolarHBondContact O-N 2.85Å; P107-A110 PolarHBondContact O-N 3.14Å; P107-A110 VanDerWaalsContact O-N 3.12Å; P107-N111 WeakPolarHBondContact O-CB 3.39Å; P107-N111 PolarHBondContact O-N 3.19Å; P107-N111 PolarHBondContact O-OD1 3.01Å; P107-F132 HydrophobicContact CB-CB 4.38Å; P107-D134 WeakPolarHBondContact CG-O 3.45Å; P107-K135 HydrophobicContact CG-CB 4.33Å
108H95.6Very high95.7Very high161 Ų16145.5 Ų45.575%0.74523%0.234SC*.Hα-helixtrans-59.5-37.8177.6175.1-85.5000111.9D105D105-H108 PolarHBondContact O-N 3.31Å
109R95.8Very high95.8Very high73 Ų7344.7 Ų44.728%0.27523%0.23SC..Hα-helixtrans-76.4-30.1178.4-63.7176.661.7176.30.3112.9V57 T58 D105 S106 P107V57-R109 WeakPolarHBondContact CG1-O 3.41Å; V57-R109 PolarHBondContact O-NH2 2.88Å; T58-R109 PolarHBondContact O-NH1 2.89Å; T58-R109 PolarHBondContact O-NH2 2.94Å; T58-R109 VanDerWaalsContact O-NH2 3.17Å; D105-R109 PolarHBondContact O-N 2.95Å; D105-R109 VanDerWaalsContact OD2-CD 3.29Å; D105-R109 WeakPolarHBondContact OD2-CD 3.09Å; S106-R109 PolarHBondContact O-N 2.78Å; P107-R109 PolarHBondContact O-N 2.85Å
110A96.8Very high95.8Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-83.1-38.9-177.200000113.1V57 T58 S106 P107 G112 R113 L114 F132 L138V57-A110 HydrophobicContact CG1-CB 4.47Å; T58-A110 HydrophobicContact CG2-CB 4.47Å; S106-A110 VanDerWaalsContact O-CB 3.27Å; S106-A110 WeakPolarHBondContact O-CB 3.27Å; S106-A110 PolarHBondContact O-N 2.69Å; P107-A110 PolarHBondContact O-N 3.14Å; P107-A110 VanDerWaalsContact O-N 3.12Å; A110-G112 PolarHBondContact O-N 3.47Å; A110-R113 PolarHBondContact O-N 2.7Å; A110-L114 HydrophobicContact CB-CB 3.98Å; A110-L114 HydrophobicContact CB-CD2 3.9Å; A110-L114 WeakPolarHBondContact O-CB 3.38Å; A110-L114 PolarHBondContact O-N 2.99Å; A110-F132 HydrophobicContact CB-CD2 3.99Å; A110-F132 HydrophobicContact CB-CE2 4.07Å; A110-L138 HydrophobicContact CB-CD1 4.45Å; A110-L138 HydrophobicContact CB-CD2 4.25Å
111N96.8Very high95.7Very high48 Ų4837.4 Ų37.426%0.25721%0.207SC..THydrogen-bonded Turntrans-58.5128.3-171.8-75.4-12.1000112.6P107 R113 S130 H131 F132P107-N111 WeakPolarHBondContact O-CB 3.39Å; P107-N111 PolarHBondContact O-N 3.19Å; P107-N111 PolarHBondContact O-OD1 3.01Å; N111-R113 PolarHBondContact O-N 2.92Å; N111-R113 VanDerWaalsContact O-N 3.14Å; N111-S130 WeakPolarHBondContact CA-O 3.3Å; N111-H131 WeakPolarHBondContact OD1-CA 3.46Å; N111-F132 PolarHBondContact ND2-O 3.36Å; N111-F132 VanDerWaalsContact OD1-CD2 3.25Å; N111-F132 WeakPolarHBondContact OD1-CD2 3.44Å; N111-F132 PolarHBondContact OD1-N 3.26Å; N111-F132 PolarHBondContact OD1-O 2.92Å
112G93Very high95.6Very high43 Ų4338.5 Ų38.544%0.44322%0.222SC..THydrogen-bonded Turntrans73.4-8.4-178.600000115H42 A110 S130H42-G112 PolarHBondContact CE1-O 3.49Å; H42-G112 PolarHBondContact ND1-O 3.25Å; A110-G112 PolarHBondContact O-N 3.47Å; G112-S130 PolarHBondContact N-O 3.43Å
113R95.8Very high95.3Very high63 Ų6342 Ų4224%0.23824%0.241CC..THydrogen-bonded Turntrans-116.8-33.1-177.6-162.4170.9178.4-121.51.4113.3V37 L38 H42 I43 V57 A110 N111V37-R113 PolarHBondContact O-NH2 3.23Å; L38-R113 PolarHBondContact O-NH2 3.01Å; H42-R113 CarbonylContact C-O 3.59Å; H42-R113 VanDerWaalsContact CA-O 3.27Å; H42-R113 WeakPolarHBondContact CA-O 3.39Å; I43-R113 PolarHBondContact N-O 3.09Å; V57-R113 HydrophobicContact CG1-CB 4.41Å; A110-R113 PolarHBondContact O-N 2.7Å; N111-R113 PolarHBondContact O-N 2.92Å; N111-R113 VanDerWaalsContact O-N 3.14Å
114L98.2Very high95.1Very high0 Ų042 Ų420%025%0.248CC..EExtended strand (participates in β ladder)trans-93.2139.3172.5179.465.2000109.4I43 A53 T54 V57 A110 I116 S130 F132 L138I43-L114 CarbonylContact O-C 3.31Å; I43-L114 WeakPolarHBondContact O-CA 3.37Å; A53-L114 HydrophobicContact CB-CD1 3.69Å; T54-L114 HydrophobicContact CG2-CD2 4.17Å; V57-L114 HydrophobicContact CB-CB 4.45Å; V57-L114 HydrophobicContact CG1-CB 4.24Å; V57-L114 HydrophobicContact CG2-CB 4.24Å; V57-L114 HydrophobicContact CG2-CD1 4.2Å; A110-L114 HydrophobicContact CB-CB 3.98Å; A110-L114 HydrophobicContact CB-CD2 3.9Å; A110-L114 WeakPolarHBondContact O-CB 3.38Å; A110-L114 PolarHBondContact O-N 2.99Å; L114-I116 HydrophobicContact CD1-CG1 4.48Å; L114-I116 HydrophobicContact CD2-CD1 3.99Å; L114-I116 HydrophobicContact CD2-CG1 4.07Å; L114-I116 HydrophobicContact CG-CG1 4.07Å; L114-S130 VanDerWaalsContact O-CA 3.24Å; L114-S130 WeakPolarHBondContact O-CA 3.32Å; L114-S130 VanDerWaalsContact O-CB 3.3Å; L114-S130 WeakPolarHBondContact O-CB 3.23Å; L114-F132 HydrophobicContact CD2-CE2 4.09Å; L114-F132 HydrophobicContact CD2-CZ 4.33Å; L114-L138 HydrophobicContact CD2-CD1 3.66Å
115G97.9Very high95.1Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-128.8124.7164.400000111.9I43 Y44 G45 V129I43-G115 PolarHBondContact O-N 2.91Å; Y44-G115 CarbonylContact C-O 3.58Å; Y44-G115 VanDerWaalsContact CA-O 3.28Å; Y44-G115 WeakPolarHBondContact CA-O 3.23Å; G45-G115 PolarHBondContact N-O 3.37Å; G115-V129 CarbonylContact C-O 3.57Å; G115-V129 WeakPolarHBondContact CA-O 3.34Å
116I98.4Very high95.3Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-105.8118.8-179.1-61.5178.6000108.6A50 L114 L118 V129 F132 L138 A141 S145A50-I116 HydrophobicContact CB-CG1 4.45Å; A50-I116 HydrophobicContact CB-CG2 4.03Å; L114-I116 HydrophobicContact CD1-CG1 4.48Å; L114-I116 HydrophobicContact CD2-CD1 3.99Å; L114-I116 HydrophobicContact CD2-CG1 4.07Å; L114-I116 HydrophobicContact CG-CG1 4.07Å; I116-L118 HydrophobicContact CG2-CD2 3.93Å; I116-L118 HydrophobicContact CG2-CG 4.44Å; I116-V129 PolarHBondContact N-O 2.95Å; I116-V129 PolarHBondContact O-N 3.39Å; I116-F132 HydrophobicContact CD1-CE1 4.07Å; I116-F132 HydrophobicContact CD1-CZ 3.76Å; I116-F132 HydrophobicContact CG1-CZ 4.19Å; I116-L138 HydrophobicContact CD1-CD1 3.9Å; I116-A141 HydrophobicContact CD1-CB 3.87Å; I116-A141 HydrophobicContact CG2-CB 4.49Å; I116-S145 VanDerWaalsContact CG2-CB 3.47Å
117S98.3Very high95.3Very high0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-74.8128.8174.7175.40000110.3G45 N126 S145 G167 D171G45-S117 PolarHBondContact O-N 3.47Å; S117-N126 PolarHBondContact OG-ND2 2.76Å; S117-S145 WeakPolarHBondContact O-CB 3.39Å; S117-S145 PolarHBondContact O-OG 3.36Å; S117-G167 VanDerWaalsContact O-CA 3.23Å; S117-G167 WeakPolarHBondContact O-CA 3.38Å; S117-G167 PolarHBondContact OG-O 3.4Å; S117-D171 PolarHBondContact OG-O 2.94Å
118L98Very high95.4Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-128.8145.6175.8-57.1-176.9000109.8I116 N126 V127 V129 A141 C144 S145 F159 Y164I116-L118 HydrophobicContact CG2-CD2 3.93Å; I116-L118 HydrophobicContact CG2-CG 4.44Å; L118-N126 CarbonylContact O-C 3.59Å; L118-N126 WeakPolarHBondContact O-CA 3.37Å; L118-N126 PolarHBondContact O-ND2 2.66Å; L118-V127 PolarHBondContact N-O 3.39Å; L118-V127 PolarHBondContact O-N 2.92Å; L118-V129 HydrophobicContact CD1-CG2 3.49Å; L118-V129 VanDerWaalsContact CD1-CG2 3.49Å; L118-V129 HydrophobicContact CG-CG2 4.13Å; L118-A141 WeakPolarHBondContact CD2-O 3.11Å; L118-C144 HydrophobicContact CD1-CB 4.42Å; L118-C144 HydrophobicContact CD2-CB 3.68Å; L118-S145 VanDerWaalsContact CD2-N 3.31Å; L118-F159 HydrophobicContact CD1-CD1 4.46Å; L118-Y164 HydrophobicContact CB-CD1 3.65Å; L118-Y164 HydrophobicContact CB-CE1 4.25Å; L118-Y164 HydrophobicContact CB-CG 4.18Å; L118-Y164 HydrophobicContact CD1-CD1 4.07Å; L118-Y164 HydrophobicContact CD1-CD2 4.32Å; L118-Y164 HydrophobicContact CD1-CE1 4.39Å; L118-Y164 HydrophobicContact CD1-CG 4.04Å
119T97.4Very high95.5Very high5 Ų537.9 Ų37.93%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-103.4117.9171.5-54.90000109.3Y164 V165 D166 G167 I169 S170T119-Y164 VanDerWaalsContact O-CA 3.32Å; T119-Y164 WeakPolarHBondContact O-CA 3.42Å; T119-V165 HydrophobicContact CG2-CG2 4.04Å; T119-V165 PolarHBondContact N-O 3.4Å; T119-V165 VanDerWaalsContact N-O 3.09Å; T119-V165 PolarHBondContact O-N 2.81Å; T119-D166 WeakPolarHBondContact CB-O 3.29Å; T119-D166 PolarHBondContact OG1-O 3.31Å; T119-G167 PolarHBondContact OG1-O 3.16Å; T119-I169 HydrophobicContact CG2-CB 4.3Å; T119-I169 HydrophobicContact CG2-CG2 4.22Å; T119-S170 WeakPolarHBondContact CB-OG 3.43Å; T119-S170 WeakPolarHBondContact OG1-CB 3.38Å; T119-S170 PolarHBondContact OG1-N 3.26Å; T119-S170 PolarHBondContact OG1-OG 2.88Å
120R95.9Very high95.5Very high67 Ų6737 Ų3725%0.25322%0.221SC..EExtended strand (participates in β ladder)trans-75.2128.5180-176.9165.658.1-124.60.3110.2A122 D123 G124 E125 V127 V162 Y164R120-A122 VanDerWaalsContact C-N 3.32Å; R120-A122 HydrophobicContact CG-CB 4.32Å; R120-A122 PolarHBondContact O-N 3.29Å; R120-D123 WeakPolarHBondContact CB-OD1 3.44Å; R120-D123 WeakPolarHBondContact CG-OD1 3.5Å; R120-D123 IonicContact CZ-OD1 3.2Å; R120-D123 IonicContact CZ-OD2 2.69Å; R120-D123 VanDerWaalsContact CZ-OD2 3.24Å; R120-D123 VanDerWaalsContact NE-CG 3.31Å; R120-D123 IonicContact NE-OD1 2.68Å; R120-D123 PolarHBondContact NE-OD1 3.39Å; R120-D123 IonicContact NE-OD2 3.06Å; R120-D123 PolarHBondContact NE-OD2 2.71Å; R120-D123 IonicContact NH2-OD1 3.93Å; R120-D123 IonicContact NH2-OD2 2.88Å; R120-D123 PolarHBondContact NH2-OD2 3.09Å; R120-G124 WeakPolarHBondContact O-CA 3.47Å; R120-G124 PolarHBondContact O-N 3.36Å; R120-E125 PolarHBondContact N-O 2.87Å; R120-V127 HydrophobicContact CB-CG2 4.37Å; R120-V162 HydrophobicContact CG-CG1 3.84Å; R120-Y164 HydrophobicContact CB-CD1 4.01Å; R120-Y164 HydrophobicContact CB-CE1 3.72Å; R120-Y164 HydrophobicContact CG-CE1 4.08Å
121V93Very high95.5Very high44 Ų4442.3 Ų42.327%0.26725%0.245SC..THydrogen-bonded Turntrans-71-28.8-173.6178.10000112.8D123 P156 R163 V165 W377V121-D123 VanDerWaalsContact C-N 3.33Å; V121-D123 PolarHBondContact O-N 3.1Å; V121-P156 HydrophobicContact CG2-CB 4.17Å; V121-P156 HydrophobicContact CG2-CG 4.12Å; V121-R163 HydrophobicContact CB-CB 4.21Å; V121-R163 HydrophobicContact CG2-CB 4.13Å; V121-R163 WeakPolarHBondContact CG2-O 3.29Å; V121-R163 PolarHBondContact N-O 3.49Å; V121-V165 HydrophobicContact CG2-CB 4.46Å; V121-V165 HydrophobicContact CG2-CG1 3.58Å; V121-V165 HydrophobicContact CG2-CG2 4.32Å; V121-W377 HydrophobicContact CG1-CH2 4.29Å; V121-W377 HydrophobicContact CG1-CZ2 3.71Å
122A88.7Confident95.5Very high67 Ų6740.1 Ų40.155%0.55423%0.233SC*.THydrogen-bonded Turntrans-65.2-35.5-173.100000113.5R120R120-A122 VanDerWaalsContact C-N 3.32Å; R120-A122 HydrophobicContact CG-CB 4.32Å; R120-A122 PolarHBondContact O-N 3.29Å
123D90.4Very high95.7Very high83 Ų8343.7 Ų43.744%0.44424%0.242SC..THydrogen-bonded Turntrans-135.1-10.8-172.7517.1000113.9R120 V121 E125R120-D123 WeakPolarHBondContact CB-OD1 3.44Å; R120-D123 WeakPolarHBondContact CG-OD1 3.5Å; R120-D123 IonicContact CZ-OD1 3.2Å; R120-D123 IonicContact CZ-OD2 2.69Å; R120-D123 VanDerWaalsContact CZ-OD2 3.24Å; R120-D123 VanDerWaalsContact NE-CG 3.31Å; R120-D123 IonicContact NE-OD1 2.68Å; R120-D123 PolarHBondContact NE-OD1 3.39Å; R120-D123 IonicContact NE-OD2 3.06Å; R120-D123 PolarHBondContact NE-OD2 2.71Å; R120-D123 IonicContact NH2-OD1 3.93Å; R120-D123 IonicContact NH2-OD2 2.88Å; R120-D123 PolarHBondContact NH2-OD2 3.09Å; V121-D123 VanDerWaalsContact C-N 3.33Å; V121-D123 PolarHBondContact O-N 3.1Å; D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 HydrophobicContact CB-CG 4.14Å; D123-E125 PolarHBondContact OD1-N 2.87Å
124G89.9Confident95.7Very high40 Ų4044.6 Ų44.641%0.41225%0.252SS..  trans82.42.4-178.200000114R120R120-G124 WeakPolarHBondContact O-CA 3.47Å; R120-G124 PolarHBondContact O-N 3.36Å
125E94.4Very high95.6Very high112 Ų11247.1 Ų47.152%0.52326%0.263SS..  trans-73148.2-175.8-69.3-65.5143.300112.1R120 D123R120-E125 PolarHBondContact N-O 2.87Å; D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 HydrophobicContact CB-CG 4.14Å; D123-E125 PolarHBondContact OD1-N 2.87Å
126N96.4Very high95.5Very high51 Ų5151 Ų5127%0.27328%0.281SS..EExtended strand (participates in β ladder)trans-75.7140.7173.6-170.3-100.9000111.4S117 L118 S170 D171S117-N126 PolarHBondContact OG-ND2 2.76Å; L118-N126 CarbonylContact O-C 3.59Å; L118-N126 WeakPolarHBondContact O-CA 3.37Å; L118-N126 PolarHBondContact O-ND2 2.66Å; N126-S170 WeakPolarHBondContact CB-OG 3.29Å; N126-S170 PolarHBondContact ND2-OG 3.19Å; N126-D171 HydrophobicContact CB-CB 4.24Å; N126-D171 WeakPolarHBondContact ND2-CB 3.5Å
127V96.3Very high95.5Very high32 Ų3252.1 Ų52.119%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-129120.4170.6-178.60000108.9L118 R120 V129 Y164L118-V127 PolarHBondContact N-O 3.39Å; L118-V127 PolarHBondContact O-N 2.92Å; R120-V127 HydrophobicContact CB-CG2 4.37Å; V127-V129 HydrophobicContact CG1-CG2 4.07Å; V127-Y164 HydrophobicContact CB-CE1 4.09Å; V127-Y164 HydrophobicContact CG2-CE1 3.89Å
128L96.8Very high95.4Very high55 Ų5552.1 Ų52.129%0.28829%0.286SS..EExtended strand (participates in β ladder)trans-95.1102.5175.6-171.565.1000110.2Y44 P174Y44-L128 HydrophobicContact CD1-CD1 4.08Å; Y44-L128 HydrophobicContact CD1-CD2 3.99Å; Y44-L128 HydrophobicContact CD1-CG 4.49Å; Y44-L128 HydrophobicContact CE1-CD2 3.73Å; L128-P174 HydrophobicContact CD1-CB 4.29Å
129V97.1Very high95.4Very high13 Ų1352.1 Ų52.18%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-86.6123.7-178.8-176.60000110.1G115 I116 L118 V127 F132 F159G115-V129 CarbonylContact C-O 3.57Å; G115-V129 WeakPolarHBondContact CA-O 3.34Å; I116-V129 PolarHBondContact N-O 2.95Å; I116-V129 PolarHBondContact O-N 3.39Å; L118-V129 HydrophobicContact CD1-CG2 3.49Å; L118-V129 VanDerWaalsContact CD1-CG2 3.49Å; L118-V129 HydrophobicContact CG-CG2 4.13Å; V127-V129 HydrophobicContact CG1-CG2 4.07Å; V129-F132 HydrophobicContact CB-CE1 4.38Å; V129-F132 HydrophobicContact CG1-CD1 4.17Å; V129-F132 HydrophobicContact CG1-CE1 3.51Å; V129-F132 HydrophobicContact CG1-CZ 4.01Å; V129-F159 HydrophobicContact CG1-CE1 3.97Å; V129-F159 HydrophobicContact CG1-CZ 3.73Å; V129-F159 HydrophobicContact CG2-CE1 4.04Å
130S96.9Very high95.4Very high54 Ų5453.8 Ų53.838%0.37829%0.294SS..  trans-128.64.1-178.957.50000114.6N111 G112 L114N111-S130 WeakPolarHBondContact CA-O 3.3Å; G112-S130 PolarHBondContact N-O 3.43Å; L114-S130 VanDerWaalsContact O-CA 3.24Å; L114-S130 WeakPolarHBondContact O-CA 3.32Å; L114-S130 VanDerWaalsContact O-CB 3.3Å; L114-S130 WeakPolarHBondContact O-CB 3.23Å
131H97Very high95.5Very high112 Ų11250.6 Ų50.652%0.51928%0.281SS..  trans-133.1134.8179.4-164.3-74.7000110.5N111N111-H131 WeakPolarHBondContact OD1-CA 3.46Å
132F96.8Very high95.8Very high1 Ų148.5 Ų48.50%0.00427%0.269CS..  trans-139.1128.2-175.1-45.1-78.2000108.5P107 A110 N111 L114 I116 V129 L138 A141P107-F132 HydrophobicContact CB-CB 4.38Å; A110-F132 HydrophobicContact CB-CD2 3.99Å; A110-F132 HydrophobicContact CB-CE2 4.07Å; N111-F132 PolarHBondContact ND2-O 3.36Å; N111-F132 VanDerWaalsContact OD1-CD2 3.25Å; N111-F132 WeakPolarHBondContact OD1-CD2 3.44Å; N111-F132 PolarHBondContact OD1-N 3.26Å; N111-F132 PolarHBondContact OD1-O 2.92Å; L114-F132 HydrophobicContact CD2-CE2 4.09Å; L114-F132 HydrophobicContact CD2-CZ 4.33Å; I116-F132 HydrophobicContact CD1-CE1 4.07Å; I116-F132 HydrophobicContact CD1-CZ 3.76Å; I116-F132 HydrophobicContact CG1-CZ 4.19Å; V129-F132 HydrophobicContact CB-CE1 4.38Å; V129-F132 HydrophobicContact CG1-CD1 4.17Å; V129-F132 HydrophobicContact CG1-CE1 3.51Å; V129-F132 HydrophobicContact CG1-CZ 4.01Å; F132-L138 HydrophobicContact CB-CB 4.17Å; F132-L138 HydrophobicContact CD1-CB 4.07Å; F132-L138 HydrophobicContact CD1-CD1 4.04Å; F132-L138 HydrophobicContact CD2-CB 4.49Å; F132-L138 HydrophobicContact CD2-CD1 3.86Å; F132-L138 HydrophobicContact CE1-CD1 3.87Å; F132-L138 HydrophobicContact CE2-CD1 3.71Å; F132-L138 HydrophobicContact CG-CB 3.97Å; F132-L138 HydrophobicContact CG-CD1 4.04Å; F132-L138 HydrophobicContact CZ-CD1 3.7Å; F132-A141 HydrophobicContact CD1-CB 4.3Å; F132-A141 HydrophobicContact CE1-CB 3.63Å
133N95.6Very high96.2Very high119 Ų11945.4 Ų45.464%0.63624%0.243SC*.SBendtrans-77.5-36.7179.6-59.7-58000111.2E137N133-E137 WeakPolarHBondContact CA-OE2 3.34Å; N133-E137 WeakPolarHBondContact CB-OE2 3.43Å; N133-E137 VanDerWaalsContact CG-OE2 3.26Å; N133-E137 PolarHBondContact N-OE2 3.34Å; N133-E137 PolarHBondContact ND2-OE2 2.99Å
134D96.1Very high96.5Very high81 Ų8141.5 Ų41.543%0.43322%0.222SC..SBendtrans-144.7176.7-179.667.347.5000112.9P107 E136 E137 L138P107-D134 WeakPolarHBondContact CG-O 3.45Å; D134-E136 VanDerWaalsContact C-N 3.32Å; D134-E136 PolarHBondContact O-N 3.05Å; D134-E136 WeakPolarHBondContact OD1-CA 3.3Å; D134-E136 WeakPolarHBondContact OD1-CB 3.3Å; D134-E136 PolarHBondContact OD1-N 2.87Å; D134-E137 PolarHBondContact O-N 2.9Å; D134-E137 PolarHBondContact OD1-N 3.28Å; D134-L138 PolarHBondContact O-N 3.34Å
135K96.4Very high96.9Very high53 Ų5339.6 Ų39.623%0.2320%0.203CC..Hα-helixtrans-65.4-35.2-179.3173.9174.71641760111.9R99 L102 P107 L138 I139R99-K135 PolarHBondContact O-NZ 3.23Å; L102-K135 HydrophobicContact CB-CD 4.47Å; L102-K135 PolarHBondContact O-NZ 2.93Å; P107-K135 HydrophobicContact CG-CB 4.33Å; K135-L138 PolarHBondContact O-N 2.97Å; K135-I139 HydrophobicContact CG-CD1 3.91Å; K135-I139 WeakPolarHBondContact O-CG1 3.43Å; K135-I139 PolarHBondContact O-N 3.41Å
136E96.5Very high97Very high81 Ų8134.9 Ų34.938%0.37918%0.183SC..Hα-helixtrans-72.1-34.9-179.1-69.4-61.2141.500111.5R99 D134 I139 Q140R99-E136 IonicContact CZ-OE1 2.56Å; R99-E136 IonicContact CZ-OE2 3.14Å; R99-E136 IonicContact NE-OE1 3.06Å; R99-E136 PolarHBondContact NE-OE1 3.45Å; R99-E136 IonicContact NE-OE2 3.14Å; R99-E136 PolarHBondContact NE-OE2 2.96Å; R99-E136 IonicContact NH2-OE2 3.04Å; R99-E136 PolarHBondContact NH2-OE2 3.34Å; D134-E136 VanDerWaalsContact C-N 3.32Å; D134-E136 PolarHBondContact O-N 3.05Å; D134-E136 WeakPolarHBondContact OD1-CA 3.3Å; D134-E136 WeakPolarHBondContact OD1-CB 3.3Å; D134-E136 PolarHBondContact OD1-N 2.87Å; E136-I139 PolarHBondContact O-N 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.49Å; E136-Q140 PolarHBondContact O-N 3.18Å
137E96.7Very high96.9Very high25 Ų2532.9 Ų32.912%0.11717%0.171CC..Hα-helixtrans-64.9-43.5173.6-171.2171-151.200111.5N133 D134 I139 Q140 A141 F159 Q160N133-E137 WeakPolarHBondContact CA-OE2 3.34Å; N133-E137 WeakPolarHBondContact CB-OE2 3.43Å; N133-E137 VanDerWaalsContact CG-OE2 3.26Å; N133-E137 PolarHBondContact N-OE2 3.34Å; N133-E137 PolarHBondContact ND2-OE2 2.99Å; D134-E137 PolarHBondContact O-N 2.9Å; D134-E137 PolarHBondContact OD1-N 3.28Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.32Å; E137-Q140 PolarHBondContact O-N 3.32Å; E137-A141 PolarHBondContact O-N 2.88Å; E137-F159 HydrophobicContact CG-CD2 4.3Å; E137-F159 HydrophobicContact CG-CE2 3.34Å; E137-F159 HydrophobicContact CG-CZ 3.73Å; E137-F159 WeakPolarHBondContact O-CE2 3.44Å; E137-Q160 WeakPolarHBondContact OE1-CG 3.33Å; E137-Q160 PolarHBondContact OE1-NE2 3.46Å
138L97.9Very high96.7Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-59.4-42.7172.5174.160.9000112T54 T58 L102 A110 L114 I116 F132 D134 K135 Q140 A141 C142T54-L138 HydrophobicContact CG2-CD1 4.23Å; T54-L138 HydrophobicContact CG2-CD2 4.19Å; T54-L138 HydrophobicContact CG2-CG 4.38Å; T58-L138 HydrophobicContact CG2-CD2 4.27Å; L102-L138 HydrophobicContact CD1-CD2 4.38Å; A110-L138 HydrophobicContact CB-CD1 4.45Å; A110-L138 HydrophobicContact CB-CD2 4.25Å; L114-L138 HydrophobicContact CD2-CD1 3.66Å; I116-L138 HydrophobicContact CD1-CD1 3.9Å; F132-L138 HydrophobicContact CB-CB 4.17Å; F132-L138 HydrophobicContact CD1-CB 4.07Å; F132-L138 HydrophobicContact CD1-CD1 4.04Å; F132-L138 HydrophobicContact CD2-CB 4.49Å; F132-L138 HydrophobicContact CD2-CD1 3.86Å; F132-L138 HydrophobicContact CE1-CD1 3.87Å; F132-L138 HydrophobicContact CE2-CD1 3.71Å; F132-L138 HydrophobicContact CG-CB 3.97Å; F132-L138 HydrophobicContact CG-CD1 4.04Å; F132-L138 HydrophobicContact CZ-CD1 3.7Å; D134-L138 PolarHBondContact O-N 3.34Å; K135-L138 PolarHBondContact O-N 2.97Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; L138-A141 PolarHBondContact O-N 2.69Å; L138-C142 PolarHBondContact O-N 3.48Å; L138-C142 PolarHBondContact O-SG 3.39Å; L138-C142 VanDerWaalsContact O-SG 3.32Å
139I97.9Very high96.3Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-64.5-41.7176.8-69.4171.5000110.5R95 L98 R99 L102 K135 E136 E137 C142 V143R95-I139 HydrophobicContact CG-CG2 3.94Å; L98-I139 HydrophobicContact CB-CD1 4.34Å; L98-I139 HydrophobicContact CB-CG1 3.99Å; L98-I139 HydrophobicContact CB-CG2 4.17Å; L98-I139 HydrophobicContact CD1-CG2 4.19Å; R99-I139 HydrophobicContact CB-CD1 4.28Å; R99-I139 HydrophobicContact CG-CD1 3.51Å; L102-I139 HydrophobicContact CD1-CD1 4.12Å; L102-I139 HydrophobicContact CD1-CG1 3.58Å; K135-I139 HydrophobicContact CG-CD1 3.91Å; K135-I139 WeakPolarHBondContact O-CG1 3.43Å; K135-I139 PolarHBondContact O-N 3.41Å; E136-I139 PolarHBondContact O-N 3.3Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.32Å; I139-C142 WeakPolarHBondContact O-CB 3.17Å; I139-C142 PolarHBondContact O-N 3.43Å; I139-V143 HydrophobicContact CG2-CG2 4.39Å; I139-V143 WeakPolarHBondContact O-CB 3.4Å; I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 2.81Å
140Q97.5Very high95.7Very high39 Ų3938.5 Ų38.518%0.18221%0.207CC..Hα-helixtrans-66.1-40.3179.5-169.767.1-1.400111.4E136 E137 L138 V143 C144 T158 F159E136-Q140 WeakPolarHBondContact O-CB 3.49Å; E136-Q140 PolarHBondContact O-N 3.18Å; E137-Q140 PolarHBondContact O-N 3.32Å; L138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-V143 PolarHBondContact O-N 2.62Å; Q140-C144 WeakPolarHBondContact O-CB 3.39Å; Q140-C144 PolarHBondContact O-N 3.49Å; Q140-C144 PolarHBondContact O-SG 2.85Å; Q140-T158 VanDerWaalsContact CG-O 3.28Å; Q140-T158 WeakPolarHBondContact CG-O 3.16Å; Q140-T158 PolarHBondContact NE2-O 3.15Å; Q140-F159 HydrophobicContact CB-CD2 4.31Å; Q140-F159 HydrophobicContact CG-CD2 4.29Å
141A98.1Very high95.1Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-60-45.917200000111.8I116 L118 F132 E137 L138 V143 C144 S145 F159I116-A141 HydrophobicContact CD1-CB 3.87Å; I116-A141 HydrophobicContact CG2-CB 4.49Å; L118-A141 WeakPolarHBondContact CD2-O 3.11Å; F132-A141 HydrophobicContact CD1-CB 4.3Å; F132-A141 HydrophobicContact CE1-CB 3.63Å; E137-A141 PolarHBondContact O-N 2.88Å; L138-A141 PolarHBondContact O-N 2.69Å; A141-V143 VanDerWaalsContact C-N 3.32Å; A141-V143 PolarHBondContact O-N 2.81Å; A141-C144 PolarHBondContact O-N 3.41Å; A141-S145 WeakPolarHBondContact O-CB 3.38Å; A141-S145 PolarHBondContact O-N 3.29Å; A141-F159 HydrophobicContact CB-CD2 4.1Å; A141-F159 HydrophobicContact CB-CE2 3.75Å; A141-F159 HydrophobicContact CB-CZ 4.4Å
142C97.9Very high94.5Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-57.8-43.6173.9-71.90000112.4L51 T54 L98 L138 I139 S145 A146L51-C142 HydrophobicContact CD2-CB 3.75Å; T54-C142 PolarHBondContact OG1-SG 3.46Å; T54-C142 VanDerWaalsContact OG1-SG 3.39Å; L98-C142 HydrophobicContact CD1-CB 3.58Å; L138-C142 PolarHBondContact O-N 3.48Å; L138-C142 PolarHBondContact O-SG 3.39Å; L138-C142 VanDerWaalsContact O-SG 3.32Å; I139-C142 WeakPolarHBondContact O-CB 3.17Å; I139-C142 PolarHBondContact O-N 3.43Å; C142-S145 PolarHBondContact O-N 2.98Å; C142-A146 WeakPolarHBondContact O-CB 3.18Å; C142-A146 PolarHBondContact O-N 2.87Å; C142-A146 VanDerWaalsContact O-N 3.09Å
143V97.3Very high93.9Very high3 Ų333.2 Ų33.22%0.01818%0.18CC..Hα-helixtrans-64.8-46179164.30000111.4V91 R95 I139 Q140 A141 S145 A146 Y147 P157V91-V143 HydrophobicContact CG1-CG1 3.62Å; R95-V143 HydrophobicContact CB-CG2 4.11Å; I139-V143 HydrophobicContact CG2-CG2 4.39Å; I139-V143 WeakPolarHBondContact O-CB 3.4Å; I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 2.81Å; Q140-V143 PolarHBondContact O-N 2.62Å; A141-V143 VanDerWaalsContact C-N 3.32Å; A141-V143 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact C-N 3.32Å; V143-S145 PolarHBondContact O-N 3.23Å; V143-A146 PolarHBondContact O-N 3.11Å; V143-Y147 WeakPolarHBondContact O-CB 3.23Å; V143-Y147 PolarHBondContact O-N 2.78Å; V143-Y147 VanDerWaalsContact O-N 3.1Å; V143-P157 HydrophobicContact CG1-CB 4.41Å; V143-P157 HydrophobicContact CG1-CG 4.27Å
144C97.4Very high93.2Very high0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-58.2-45.7174.3-71.70000110.9L118 Q140 A141 A146 Y147 P157 V165 D166L118-C144 HydrophobicContact CD1-CB 4.42Å; L118-C144 HydrophobicContact CD2-CB 3.68Å; Q140-C144 WeakPolarHBondContact O-CB 3.39Å; Q140-C144 PolarHBondContact O-N 3.49Å; Q140-C144 PolarHBondContact O-SG 2.85Å; A141-C144 PolarHBondContact O-N 3.41Å; C144-A146 PolarHBondContact O-N 3.4Å; C144-Y147 PolarHBondContact O-N 2.74Å; C144-Y147 VanDerWaalsContact O-N 3.16Å; C144-P157 HydrophobicContact CB-CG 4.34Å; C144-V165 CarbonylContact O-C 3.58Å; C144-D166 PolarHBondContact O-N 3.16Å
145S97.8Very high92.7Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-64.2-26.5-179.1-165.20000113.6S47 I116 S117 L118 A141 C142 V143 D166 G167S47-S145 WeakPolarHBondContact CA-O 3.47Å; S47-S145 PolarHBondContact N-O 3.06Å; S47-S145 PolarHBondContact N-OG 3Å; I116-S145 VanDerWaalsContact CG2-CB 3.47Å; S117-S145 WeakPolarHBondContact O-CB 3.39Å; S117-S145 PolarHBondContact O-OG 3.36Å; L118-S145 VanDerWaalsContact CD2-N 3.31Å; A141-S145 WeakPolarHBondContact O-CB 3.38Å; A141-S145 PolarHBondContact O-N 3.29Å; C142-S145 PolarHBondContact O-N 2.98Å; V143-S145 VanDerWaalsContact C-N 3.32Å; V143-S145 PolarHBondContact O-N 3.23Å; S145-D166 WeakPolarHBondContact O-CA 3.29Å; S145-G167 PolarHBondContact O-N 3.27Å; S145-G167 VanDerWaalsContact O-N 3.17Å
146A96.2Very high92.5Very high13 Ų1331.4 Ų31.411%0.10717%0.171CC..THydrogen-bonded Turntrans-101.65.9178.500000113.7C142 V143 C144 I148C142-A146 WeakPolarHBondContact O-CB 3.18Å; C142-A146 PolarHBondContact O-N 2.87Å; C142-A146 VanDerWaalsContact O-N 3.09Å; V143-A146 PolarHBondContact O-N 3.11Å; C144-A146 PolarHBondContact O-N 3.4Å; A146-I148 PolarHBondContact O-N 3.35Å
147Y95.4Very high92.3Very high9 Ų928.3 Ų28.34%0.03516%0.159CC..  trans-83.596.3-178.5-175.2-87.2000111.1V91 V143 C144 P149 C152 G153 L154 I155 P156 P157 V165 D166V91-Y147 HydrophobicContact CG2-CD2 3.64Å; V91-Y147 HydrophobicContact CG2-CE2 4.09Å; V143-Y147 WeakPolarHBondContact O-CB 3.23Å; V143-Y147 PolarHBondContact O-N 2.78Å; V143-Y147 VanDerWaalsContact O-N 3.1Å; C144-Y147 PolarHBondContact O-N 2.74Å; C144-Y147 VanDerWaalsContact O-N 3.16Å; Y147-P149 WeakPolarHBondContact O-CD 3.44Å; Y147-C152 HydrophobicContact CD2-CB 3.62Å; Y147-C152 HydrophobicContact CE2-CB 3.69Å; Y147-C152 HydrophobicContact CG-CB 4.19Å; Y147-G153 WeakPolarHBondContact OH-CA 3.21Å; Y147-G153 PolarHBondContact OH-O 2.78Å; Y147-G153 VanDerWaalsContact OH-O 3.08Å; Y147-L154 PolarHBondContact OH-N 3.03Å; Y147-I155 PolarHBondContact OH-N 2.8Å; Y147-I155 PolarHBondContact OH-O 3.21Å; Y147-P156 HydrophobicContact CD1-CB 4.31Å; Y147-P156 HydrophobicContact CE1-CB 4.04Å; Y147-P156 HydrophobicContact CE1-CG 4.19Å; Y147-P157 VanDerWaalsContact CD2-CD 3.44Å; Y147-P157 HydrophobicContact CD2-CG 4.11Å; Y147-P157 VanDerWaalsContact CG-CD 3.43Å; Y147-P157 HydrophobicContact CG-CG 4.08Å; Y147-V165 HydrophobicContact CD1-CB 4.35Å; Y147-V165 HydrophobicContact CD1-CG1 3.96Å; Y147-V165 HydrophobicContact CE1-CG1 4.34Å; Y147-D166 WeakPolarHBondContact O-CB 3.41Å; Y147-D166 PolarHBondContact O-N 2.93Å
148I91.9Very high92.2Very high45 Ų4529.6 Ų29.623%0.23117%0.168CC..  trans-81.3117.8173.8-56.8172.6000108.7A146 Y151 C152 D166 L226A146-I148 PolarHBondContact O-N 3.35Å; I148-Y151 HydrophobicContact CB-CD1 4.37Å; I148-Y151 HydrophobicContact CB-CG 4.35Å; I148-Y151 HydrophobicContact CD1-CD1 4.49Å; I148-Y151 HydrophobicContact CG2-CG 4.34Å; I148-Y151 PolarHBondContact O-N 2.89Å; I148-C152 PolarHBondContact N-SG 2.83Å; I148-C152 VanDerWaalsContact N-SG 3.42Å; I148-C152 WeakPolarHBondContact O-CB 3.32Å; I148-C152 PolarHBondContact O-N 3.33Å; I148-D166 HydrophobicContact CG1-CB 4.21Å; I148-D166 WeakPolarHBondContact CG1-OD2 3.2Å; I148-L226 HydrophobicContact CD1-CD2 4.08Å
149P88.1Confident92Very high53 Ų5329.9 Ų29.934%0.34417%0.169SC..BIsolated β-bridgetrans-56145.3179.1-25.135.4000112.2Y147 Y151 V165 I169Y147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-Y151 PolarHBondContact O-N 2.91Å; P149-V165 HydrophobicContact CG-CB 3.85Å; P149-V165 HydrophobicContact CG-CG1 3.71Å; P149-V165 HydrophobicContact CG-CG2 4.31Å; P149-I169 HydrophobicContact CG-CD1 4.05Å
150V84.6Confident91.7Very high121 Ų12136 Ų3673%0.73320%0.198SC*.THydrogen-bonded Turntrans67.9-40.3-175.8-174.10000113.6G153V150-G153 VanDerWaalsContact CA-O 3.29Å; V150-G153 WeakPolarHBondContact CA-O 3.33Å; V150-G153 PolarHBondContact N-O 3.43Å
151Y84.1Confident91.4Very high35 Ų3537.4 Ų37.414%0.13722%0.223CC..THydrogen-bonded Turntrans-71.1-48.7178.2-176.4-80.7000112F17 P83 M84 L90 I148 P149 L226F17-Y151 WeakPolarHBondContact CE2-OH 3.45Å; P83-Y151 HydrophobicContact CB-CE1 4.49Å; P83-Y151 HydrophobicContact CB-CE2 4.23Å; P83-Y151 WeakPolarHBondContact CB-OH 3.27Å; P83-Y151 HydrophobicContact CG-CE2 4.25Å; P83-Y151 WeakPolarHBondContact CG-OH 3.36Å; M84-Y151 HydrophobicContact CE-CD2 3.14Å; M84-Y151 HydrophobicContact CE-CE2 3.31Å; M84-Y151 HydrophobicContact CE-CG 3.86Å; L90-Y151 HydrophobicContact CD2-CD1 4.48Å; L90-Y151 HydrophobicContact CD2-CE1 3.96Å; I148-Y151 HydrophobicContact CB-CD1 4.37Å; I148-Y151 HydrophobicContact CB-CG 4.35Å; I148-Y151 HydrophobicContact CD1-CD1 4.49Å; I148-Y151 HydrophobicContact CG2-CG 4.34Å; I148-Y151 PolarHBondContact O-N 2.89Å; P149-Y151 PolarHBondContact O-N 2.91Å; Y151-L226 HydrophobicContact CD2-CD2 4.27Å; Y151-L226 HydrophobicContact CE2-CB 4.28Å; Y151-L226 HydrophobicContact CE2-CD2 4.2Å; Y151-L226 PolarHBondContact OH-O 3.47Å
152C85Confident91.2Very high8 Ų840 Ų405%0.05424%0.238CC..THydrogen-bonded Turntrans-85.7-25.3179.1-69.60000112.9V91 Y147 I148V91-C152 HydrophobicContact CG2-CB 3.93Å; Y147-C152 HydrophobicContact CD2-CB 3.62Å; Y147-C152 HydrophobicContact CE2-CB 3.69Å; Y147-C152 HydrophobicContact CG-CB 4.19Å; I148-C152 PolarHBondContact N-SG 2.83Å; I148-C152 VanDerWaalsContact N-SG 3.42Å; I148-C152 WeakPolarHBondContact O-CB 3.32Å; I148-C152 PolarHBondContact O-N 3.33Å
153G84.4Confident91Very high13 Ų1341.2 Ų41.213%0.13424%0.243CC..BIsolated β-bridgetrans160.1-175.9-174.900000111.8Y147 V150Y147-G153 WeakPolarHBondContact OH-CA 3.21Å; Y147-G153 PolarHBondContact OH-O 2.78Å; Y147-G153 VanDerWaalsContact OH-O 3.08Å; V150-G153 VanDerWaalsContact CA-O 3.29Å; V150-G153 WeakPolarHBondContact CA-O 3.33Å; V150-G153 PolarHBondContact N-O 3.43Å
154L81Confident91Very high152 Ų15242 Ų4280%0.79625%0.246SC*.SBendtrans-98.1-35179-63.5176.3000113.2Y147 P156Y147-L154 PolarHBondContact OH-N 3.03Å; L154-P156 WeakPolarHBondContact O-CD 3.28Å
155I85.5Confident90.9Very high51 Ų5142.5 Ų42.526%0.26225%0.249SC..SBendtrans-98.7114.8-177.2-57177000108.7Y147 W367 D374 I378Y147-I155 PolarHBondContact OH-N 2.8Å; Y147-I155 PolarHBondContact OH-O 3.21Å; I155-W367 HydrophobicContact CD1-CD2 4.19Å; I155-W367 HydrophobicContact CD1-CZ2 3.73Å; I155-D374 HydrophobicContact CD1-CB 4.48Å; I155-D374 HydrophobicContact CG2-CB 4.48Å; I155-I378 HydrophobicContact CD1-CD1 4.25Å; I155-I378 HydrophobicContact CG1-CD1 4.47Å
156P90.9Very high90.9Very high11 Ų1143 Ų437%0.07125%0.252CS..PPolyproline II helixtrans-67.9144.5177.7-20.733.9000112.3V121 Y147 L154 R163 Y164 V165V121-P156 HydrophobicContact CG2-CB 4.17Å; V121-P156 HydrophobicContact CG2-CG 4.12Å; Y147-P156 HydrophobicContact CD1-CB 4.31Å; Y147-P156 HydrophobicContact CE1-CB 4.04Å; Y147-P156 HydrophobicContact CE1-CG 4.19Å; L154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-R163 HydrophobicContact CB-CB 4.46Å; P156-Y164 WeakPolarHBondContact CB-O 3.47Å; P156-V165 HydrophobicContact CB-CG1 3.72Å; P156-V165 HydrophobicContact CG-CG1 3.79Å
157P93.1Very high90.8Very high17 Ų1742.4 Ų42.411%0.1125%0.247CC..PPolyproline II helixtrans-65.7155.3175.528.6-35.5000112.1V143 C144 Y147 Y164V143-P157 HydrophobicContact CG1-CB 4.41Å; V143-P157 HydrophobicContact CG1-CG 4.27Å; C144-P157 HydrophobicContact CB-CG 4.34Å; Y147-P157 VanDerWaalsContact CD2-CD 3.44Å; Y147-P157 HydrophobicContact CD2-CG 4.11Å; Y147-P157 VanDerWaalsContact CG-CD 3.43Å; Y147-P157 HydrophobicContact CG-CG 4.08Å; P157-Y164 PolarHBondContact O-N 3.12Å; P157-Y164 VanDerWaalsContact O-N 3.12Å
158T93.4Very high90.7Very high52 Ų5242.1 Ų42.132%0.31925%0.247SC..EExtended strand (participates in β ladder)trans-98.7140.8175.851.90000111.8Q140 V162 R163Q140-T158 VanDerWaalsContact CG-O 3.28Å; Q140-T158 WeakPolarHBondContact CG-O 3.16Å; Q140-T158 PolarHBondContact NE2-O 3.15Å; T158-V162 CarbonylContact C-O 3.49Å; T158-V162 VanDerWaalsContact CA-O 3.26Å; T158-V162 WeakPolarHBondContact CA-O 3.37Å; T158-R163 HydrophobicContact CG2-CG 3.64Å
159F94.9Very high90.7Very high5 Ų543.7 Ų43.72%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-129121.7169178.7-93.4000107.1L118 V129 E137 Q140 A141 G161 V162 Y164L118-F159 HydrophobicContact CD1-CD1 4.46Å; V129-F159 HydrophobicContact CG1-CE1 3.97Å; V129-F159 HydrophobicContact CG1-CZ 3.73Å; V129-F159 HydrophobicContact CG2-CE1 4.04Å; E137-F159 HydrophobicContact CG-CD2 4.3Å; E137-F159 HydrophobicContact CG-CE2 3.34Å; E137-F159 HydrophobicContact CG-CZ 3.73Å; E137-F159 WeakPolarHBondContact O-CE2 3.44Å; Q140-F159 HydrophobicContact CB-CD2 4.31Å; Q140-F159 HydrophobicContact CG-CD2 4.29Å; A141-F159 HydrophobicContact CB-CD2 4.1Å; A141-F159 HydrophobicContact CB-CE2 3.75Å; A141-F159 HydrophobicContact CB-CZ 4.4Å; F159-G161 PolarHBondContact O-N 3.08Å; F159-V162 PolarHBondContact N-O 3.19Å; F159-V162 PolarHBondContact O-N 3.33Å; F159-Y164 HydrophobicContact CB-CD2 3.68Å; F159-Y164 HydrophobicContact CB-CE2 3.83Å; F159-Y164 HydrophobicContact CD1-CE2 4.19Å; F159-Y164 WeakPolarHBondContact O-CE2 3.26Å
160Q92.1Very high90.9Very high129 Ų12942.7 Ų42.760%0.60325%0.249SC*.THydrogen-bonded Turntrans50.641.9-175.2-59.7177.1-10.500113.3E137 V162E137-Q160 WeakPolarHBondContact OE1-CG 3.33Å; E137-Q160 PolarHBondContact OE1-NE2 3.46Å; Q160-V162 PolarHBondContact O-N 3.4Å
161G90Very high91.2Very high68 Ų6837.9 Ų37.970%0.70122%0.219SC*.THydrogen-bonded Turntrans76.6-1.9179.800000115.7F159F159-G161 PolarHBondContact O-N 3.08Å
162V93.4Very high91.6Very high54 Ų5436.8 Ų36.833%0.32722%0.216SC..EExtended strand (participates in β ladder)trans-108.7141.8178.9179.80000110.2R120 T158 F159 Q160 Y164R120-V162 HydrophobicContact CG-CG1 3.84Å; T158-V162 CarbonylContact C-O 3.49Å; T158-V162 VanDerWaalsContact CA-O 3.26Å; T158-V162 WeakPolarHBondContact CA-O 3.37Å; F159-V162 PolarHBondContact N-O 3.19Å; F159-V162 PolarHBondContact O-N 3.33Å; Q160-V162 PolarHBondContact O-N 3.4Å; V162-Y164 HydrophobicContact CB-CD2 4.4Å; V162-Y164 HydrophobicContact CB-CE2 3.57Å; V162-Y164 HydrophobicContact CG1-CD2 4.36Å; V162-Y164 HydrophobicContact CG1-CE1 4.33Å; V162-Y164 HydrophobicContact CG1-CE2 3.68Å; V162-Y164 WeakPolarHBondContact O-CD2 3.49Å; V162-Y164 WeakPolarHBondContact O-CE2 3.37Å
163R94.2Very high91.8Very high27 Ų2736.4 Ų36.410%0.10221%0.213CC..EExtended strand (participates in β ladder)trans-85.6132.8179.4-73.6-178.8-174.473.3-0.4111.7V121 P156 T158 E373 D374 W377V121-R163 HydrophobicContact CB-CB 4.21Å; V121-R163 HydrophobicContact CG2-CB 4.13Å; V121-R163 WeakPolarHBondContact CG2-O 3.29Å; V121-R163 PolarHBondContact N-O 3.49Å; P156-R163 HydrophobicContact CB-CB 4.46Å; T158-R163 HydrophobicContact CG2-CG 3.64Å; R163-E373 PolarHBondContact NH2-O 2.91Å; R163-D374 IonicContact CZ-OD1 3.38Å; R163-D374 IonicContact NE-OD1 3.33Å; R163-D374 PolarHBondContact NE-OD1 3.25Å; R163-D374 IonicContact NH2-OD1 2.63Å; R163-D374 PolarHBondContact NH2-OD1 3.16Å; R163-W377 VanDerWaalsContact CD-CD2 3.5Å; R163-W377 VanDerWaalsContact CD-CE2 3.43Å; R163-W377 VanDerWaalsContact NH1-CB 3.31Å
164Y96.7Very high91.8Very high18 Ų1835.8 Ų35.87%0.07121%0.207CC..EExtended strand (participates in β ladder)trans-132152.2-178.7-64.8-86000111.7L118 T119 R120 V127 P156 P157 F159 V162L118-Y164 HydrophobicContact CB-CD1 3.65Å; L118-Y164 HydrophobicContact CB-CE1 4.25Å; L118-Y164 HydrophobicContact CB-CG 4.18Å; L118-Y164 HydrophobicContact CD1-CD1 4.07Å; L118-Y164 HydrophobicContact CD1-CD2 4.32Å; L118-Y164 HydrophobicContact CD1-CE1 4.39Å; L118-Y164 HydrophobicContact CD1-CG 4.04Å; T119-Y164 VanDerWaalsContact O-CA 3.32Å; T119-Y164 WeakPolarHBondContact O-CA 3.42Å; R120-Y164 HydrophobicContact CB-CD1 4.01Å; R120-Y164 HydrophobicContact CB-CE1 3.72Å; R120-Y164 HydrophobicContact CG-CE1 4.08Å; V127-Y164 HydrophobicContact CB-CE1 4.09Å; V127-Y164 HydrophobicContact CG2-CE1 3.89Å; P156-Y164 WeakPolarHBondContact CB-O 3.47Å; P157-Y164 PolarHBondContact O-N 3.12Å; P157-Y164 VanDerWaalsContact O-N 3.12Å; F159-Y164 HydrophobicContact CB-CD2 3.68Å; F159-Y164 HydrophobicContact CB-CE2 3.83Å; F159-Y164 HydrophobicContact CD1-CE2 4.19Å; F159-Y164 WeakPolarHBondContact O-CE2 3.26Å; V162-Y164 HydrophobicContact CB-CD2 4.4Å; V162-Y164 HydrophobicContact CB-CE2 3.57Å; V162-Y164 HydrophobicContact CG1-CD2 4.36Å; V162-Y164 HydrophobicContact CG1-CE1 4.33Å; V162-Y164 HydrophobicContact CG1-CE2 3.68Å; V162-Y164 WeakPolarHBondContact O-CD2 3.49Å; V162-Y164 WeakPolarHBondContact O-CE2 3.37Å
165V96.6Very high91.9Very high12 Ų1232.1 Ų32.17%0.07319%0.186CC..EExtended strand (participates in β ladder)trans-127.8179.5173.8-62.10000109.4T119 V121 C144 Y147 P149 P156 G167 I169T119-V165 HydrophobicContact CG2-CG2 4.04Å; T119-V165 PolarHBondContact N-O 3.4Å; T119-V165 VanDerWaalsContact N-O 3.09Å; T119-V165 PolarHBondContact O-N 2.81Å; V121-V165 HydrophobicContact CG2-CB 4.46Å; V121-V165 HydrophobicContact CG2-CG1 3.58Å; V121-V165 HydrophobicContact CG2-CG2 4.32Å; C144-V165 CarbonylContact O-C 3.58Å; Y147-V165 HydrophobicContact CD1-CB 4.35Å; Y147-V165 HydrophobicContact CD1-CG1 3.96Å; Y147-V165 HydrophobicContact CE1-CG1 4.34Å; P149-V165 HydrophobicContact CG-CB 3.85Å; P149-V165 HydrophobicContact CG-CG1 3.71Å; P149-V165 HydrophobicContact CG-CG2 4.31Å; P156-V165 HydrophobicContact CB-CG1 3.72Å; P156-V165 HydrophobicContact CG-CG1 3.79Å; V165-G167 PolarHBondContact O-N 2.74Å; V165-I169 HydrophobicContact CB-CD1 4.37Å; V165-I169 HydrophobicContact CG2-CD1 3.88Å
166D96.9Very high91.3Very high10 Ų1032.1 Ų32.15%0.05318%0.183CC..EExtended strand (participates in β ladder)trans-45.8127.8-174.2-168-65.6000112.2S47 T119 C144 S145 Y147 I148 G168 I169S47-D166 WeakPolarHBondContact CB-OD1 3.36Å; S47-D166 WeakPolarHBondContact CB-OD2 3.4Å; S47-D166 PolarHBondContact OG-OD2 3Å; T119-D166 WeakPolarHBondContact CB-O 3.29Å; T119-D166 PolarHBondContact OG1-O 3.31Å; C144-D166 PolarHBondContact O-N 3.16Å; S145-D166 WeakPolarHBondContact O-CA 3.29Å; Y147-D166 WeakPolarHBondContact O-CB 3.41Å; Y147-D166 PolarHBondContact O-N 2.93Å; I148-D166 HydrophobicContact CG1-CB 4.21Å; I148-D166 WeakPolarHBondContact CG1-OD2 3.2Å; D166-G168 PolarHBondContact O-N 3.33Å; D166-G168 WeakPolarHBondContact OD1-CA 3.15Å; D166-G168 PolarHBondContact OD1-N 2.77Å; D166-I169 HydrophobicContact CB-CD1 4.09Å; D166-I169 HydrophobicContact CB-CG1 4.28Å; D166-I169 WeakPolarHBondContact O-CB 3.49Å; D166-I169 PolarHBondContact O-N 3.24Å
167G95.2Very high90.2Very high0 Ų038.9 Ų38.90%021%0.213CC..G310 helixtrans-61.9-28.3-177.400000112.9S117 T119 S145 V165 I169 S170 D171S117-G167 VanDerWaalsContact O-CA 3.23Å; S117-G167 WeakPolarHBondContact O-CA 3.38Å; S117-G167 PolarHBondContact OG-O 3.4Å; T119-G167 PolarHBondContact OG1-O 3.16Å; S145-G167 PolarHBondContact O-N 3.27Å; S145-G167 VanDerWaalsContact O-N 3.17Å; V165-G167 PolarHBondContact O-N 2.74Å; G167-I169 PolarHBondContact O-N 3.17Å; G167-I169 VanDerWaalsContact O-N 3.15Å; G167-S170 PolarHBondContact O-N 3.46Å; G167-S170 PolarHBondContact O-OG 3.3Å; G167-D171 CarbonylContact O-C 3.59Å; G167-D171 VanDerWaalsContact O-C 3.31Å; G167-D171 PolarHBondContact O-N 3.49Å; G167-D171 VanDerWaalsContact O-O 3.06Å
168G92.4Very high89.4Confident4 Ų441.3 Ų41.34%0.04123%0.225CC..G310 helixtrans-67.4-11.5179.300000115D166 N172 F207 T208D166-G168 PolarHBondContact O-N 3.33Å; D166-G168 WeakPolarHBondContact OD1-CA 3.15Å; D166-G168 PolarHBondContact OD1-N 2.77Å; G168-N172 VanDerWaalsContact CA-OD1 3.29Å; G168-N172 WeakPolarHBondContact CA-OD1 3.36Å; G168-F207 WeakPolarHBondContact O-CE1 3.33Å; G168-T208 WeakPolarHBondContact O-CB 3.13Å; G168-T208 WeakPolarHBondContact O-CG2 3.38Å; G168-T208 PolarHBondContact O-OG1 3.24Å
169I91.7Very high88.6Confident78 Ų7848.4 Ų48.440%0.425%0.251SS..G310 helixtrans-74.5-31175.1-63.6170.7000111.8T119 P149 V165 D166 G167 T208T119-I169 HydrophobicContact CG2-CB 4.3Å; T119-I169 HydrophobicContact CG2-CG2 4.22Å; P149-I169 HydrophobicContact CG-CD1 4.05Å; V165-I169 HydrophobicContact CB-CD1 4.37Å; V165-I169 HydrophobicContact CG2-CD1 3.88Å; D166-I169 HydrophobicContact CB-CD1 4.09Å; D166-I169 HydrophobicContact CB-CG1 4.28Å; D166-I169 WeakPolarHBondContact O-CB 3.49Å; D166-I169 PolarHBondContact O-N 3.24Å; G167-I169 PolarHBondContact O-N 3.17Å; G167-I169 VanDerWaalsContact O-N 3.15Å; I169-T208 WeakPolarHBondContact O-CG2 3.14Å
170S91.8Very high88.1Confident32 Ų3250 Ų5022%0.22426%0.26CS..THydrogen-bonded Turntrans-108.4-44.5178.154.40000112.4T119 N126 G167T119-S170 WeakPolarHBondContact CB-OG 3.43Å; T119-S170 WeakPolarHBondContact OG1-CB 3.38Å; T119-S170 PolarHBondContact OG1-N 3.26Å; T119-S170 PolarHBondContact OG1-OG 2.88Å; N126-S170 WeakPolarHBondContact CB-OG 3.29Å; N126-S170 PolarHBondContact ND2-OG 3.19Å; G167-S170 PolarHBondContact O-N 3.46Å; G167-S170 PolarHBondContact O-OG 3.3Å
171D92.4Very high88.1Confident19 Ų1944.1 Ų44.110%0.10223%0.233CC..  trans-146.896.9178.3-169.76.7000110.6S117 N126 G167 P174 N209S117-D171 PolarHBondContact OG-O 2.94Å; N126-D171 HydrophobicContact CB-CB 4.24Å; N126-D171 WeakPolarHBondContact ND2-CB 3.5Å; G167-D171 CarbonylContact O-C 3.59Å; G167-D171 VanDerWaalsContact O-C 3.31Å; G167-D171 PolarHBondContact O-N 3.49Å; G167-D171 VanDerWaalsContact O-O 3.06Å; D171-P174 WeakPolarHBondContact OD2-CA 3.47Å; D171-N209 PolarHBondContact OD1-ND2 3.14Å
172N92.9Very high88.3Confident12 Ų1240.9 Ų40.96%0.06420%0.2CC..SBendtrans-80.6-21.8-176-167.659.5000113.4A13 G14 G168 T208 T210A13-N172 WeakPolarHBondContact CA-O 3.33Å; G14-N172 WeakPolarHBondContact CA-OD1 3.36Å; G14-N172 PolarHBondContact N-ND2 3.13Å; G14-N172 PolarHBondContact N-O 3.3Å; G14-N172 VanDerWaalsContact N-O 3.15Å; G14-N172 PolarHBondContact N-OD1 2.63Å; G14-N172 PolarHBondContact O-ND2 3.17Å; G14-N172 VanDerWaalsContact O-ND2 3.11Å; G14-N172 PolarHBondContact O-OD1 3.41Å; G168-N172 VanDerWaalsContact CA-OD1 3.29Å; G168-N172 WeakPolarHBondContact CA-OD1 3.36Å; N172-T208 WeakPolarHBondContact CB-O 3.46Å; N172-T208 WeakPolarHBondContact CB-OG1 3.42Å; N172-T208 PolarHBondContact N-O 3.25Å; N172-T210 WeakPolarHBondContact CB-OG1 3.46Å; N172-T210 PolarHBondContact ND2-OG1 3.06Å
173L89.1Confident88.4Confident0 Ų038.5 Ų38.50%019%0.186CC..SBendtrans-133.281.4177.9-172.157.5000109.2S11 A13 Y176 T183 N209S11-L173 WeakPolarHBondContact O-CD1 3.43Å; A13-L173 HydrophobicContact CB-CD1 4.08Å; L173-Y176 HydrophobicContact CD2-CD2 3.49Å; L173-Y176 VanDerWaalsContact CD2-CD2 3.49Å; L173-Y176 HydrophobicContact CD2-CE2 4.13Å; L173-Y176 HydrophobicContact CD2-CG 4.42Å; L173-Y176 HydrophobicContact CG-CD2 4.13Å; L173-Y176 WeakPolarHBondContact O-CB 3.24Å; L173-Y176 PolarHBondContact O-N 3.35Å; L173-T183 HydrophobicContact CD2-CG2 4.09Å; L173-T183 HydrophobicContact CG-CG2 4.33Å; L173-N209 HydrophobicContact CB-CB 4.48Å
174P84.4Confident88.6Confident1 Ų137.2 Ų37.21%0.00618%0.181CC..THydrogen-bonded Turntrans-60.9141.3-170.1-24.534.3000113S11 Y44 L128 D171 Y176S11-P174 VanDerWaalsContact CB-O 3.25Å; S11-P174 WeakPolarHBondContact CB-O 3.29Å; S11-P174 WeakPolarHBondContact OG-CD 3.45Å; S11-P174 PolarHBondContact OG-O 3.31Å; Y44-P174 HydrophobicContact CG-CB 4.48Å; L128-P174 HydrophobicContact CD1-CB 4.29Å; D171-P174 WeakPolarHBondContact OD2-CA 3.47Å; P174-Y176 PolarHBondContact O-N 2.98Å
175Q82.1Confident88.5Confident74 Ų7436.4 Ų36.435%0.34618%0.177SC..THydrogen-bonded Turntrans59.728.9179.1-56.7-64.3-33.400114Y44 E177 L178 T181Y44-Q175 HydrophobicContact CD2-CB 4.14Å; Y44-Q175 HydrophobicContact CD2-CG 4.09Å; Y44-Q175 HydrophobicContact CE2-CB 3.96Å; Y44-Q175 HydrophobicContact CE2-CG 3.69Å; Q175-E177 VanDerWaalsContact C-N 3.26Å; Q175-E177 PolarHBondContact O-N 2.88Å; Q175-L178 HydrophobicContact CB-CD1 4.05Å; Q175-L178 HydrophobicContact CB-CG 4.39Å; Q175-L178 HydrophobicContact CG-CD1 4.46Å; Q175-L178 PolarHBondContact O-N 3.25Å; Q175-L178 VanDerWaalsContact OE1-CD1 3.26Å; Q175-T181 PolarHBondContact O-OG1 3Å
176Y72.6Confident88.3Confident51 Ų5136 Ų3620%0.218%0.175CC..THydrogen-bonded Turntrans-55-36.6175.3174.7-91.6000113.6L173 P174 L178 T183 N209L173-Y176 HydrophobicContact CD2-CD2 3.49Å; L173-Y176 VanDerWaalsContact CD2-CD2 3.49Å; L173-Y176 HydrophobicContact CD2-CE2 4.13Å; L173-Y176 HydrophobicContact CD2-CG 4.42Å; L173-Y176 HydrophobicContact CG-CD2 4.13Å; L173-Y176 WeakPolarHBondContact O-CB 3.24Å; L173-Y176 PolarHBondContact O-N 3.35Å; P174-Y176 PolarHBondContact O-N 2.98Å; Y176-L178 PolarHBondContact O-N 2.94Å; Y176-T183 HydrophobicContact CD2-CG2 3.77Å; Y176-T183 HydrophobicContact CE2-CG2 4.31Å; Y176-N209 HydrophobicContact CG-CB 4.49Å
177E69.3Low88.1Confident153 Ų15336 Ų3672%0.71518%0.175SC*.THydrogen-bonded Turntrans-70.9-14.7-173.7-58.4-173.116200113.6Q175Q175-E177 VanDerWaalsContact C-N 3.26Å; Q175-E177 PolarHBondContact O-N 2.88Å
178L75.8Confident87.8Confident69 Ų6936.2 Ų36.236%0.36118%0.176SC..  trans-82.7121-178.6-56.3-176.5000110.8Q175 Y176 N180 T181Q175-L178 HydrophobicContact CB-CD1 4.05Å; Q175-L178 HydrophobicContact CB-CG 4.39Å; Q175-L178 HydrophobicContact CG-CD1 4.46Å; Q175-L178 PolarHBondContact O-N 3.25Å; Q175-L178 VanDerWaalsContact OE1-CD1 3.26Å; Y176-L178 PolarHBondContact O-N 2.94Å; L178-N180 VanDerWaalsContact CB-OD1 3.25Å; L178-N180 WeakPolarHBondContact CB-OD1 3.39Å; L178-N180 PolarHBondContact O-N 3.24Å; L178-T181 WeakPolarHBondContact O-CB 3.28Å; L178-T181 PolarHBondContact O-N 2.89Å
179K75.9Confident87.6Confident200 Ų20036.5 Ų36.587%0.8718%0.179SC*.THydrogen-bonded Turntrans-60.8-14179.6-66.4-175178.2-179.60114.9
180N85.4Confident87.3Confident39 Ų3938.6 Ų38.621%0.20919%0.187CC..THydrogen-bonded Turntrans-99.210.9177.665.9-22.6000112.8P7 W8 N9 L178P7-N180 PolarHBondContact O-ND2 3.32Å; W8-N180 CarbonylContact C-O 2.9Å; W8-N180 WeakPolarHBondContact CA-O 3.4Å; W8-N180 WeakPolarHBondContact CB-O 3.22Å; N9-N180 PolarHBondContact N-O 3.08Å; L178-N180 VanDerWaalsContact CB-OD1 3.25Å; L178-N180 WeakPolarHBondContact CB-OD1 3.39Å; L178-N180 PolarHBondContact O-N 3.24Å
181T91.7Very high87.3Confident5 Ų537.5 Ų37.53%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-102.4121.4176-60.40000110.1N9 Q175 L178 T183N9-T181 HydrophobicContact CB-CG2 4.16Å; N9-T181 PolarHBondContact ND2-OG1 3.22Å; N9-T181 WeakPolarHBondContact O-CA 3.37Å; Q175-T181 PolarHBondContact O-OG1 3Å; L178-T181 WeakPolarHBondContact O-CB 3.28Å; L178-T181 PolarHBondContact O-N 2.89Å; T181-T183 HydrophobicContact CG2-CG2 4.35Å; T181-T183 PolarHBondContact O-N 2.89Å
182I94.4Very high87.3Confident0 Ų039.8 Ų39.80%019%0.192CC..EExtended strand (participates in β ladder)trans-76.5119.6169.4-57.9173.6000108F2 N9 I10 S11 L36 D192 I193 F248F2-I182 HydrophobicContact CE1-CD1 4.29Å; F2-I182 HydrophobicContact CE1-CG1 4.37Å; F2-I182 HydrophobicContact CE2-CD1 4.3Å; F2-I182 HydrophobicContact CE2-CG1 3.64Å; F2-I182 HydrophobicContact CZ-CD1 3.84Å; F2-I182 HydrophobicContact CZ-CG1 3.46Å; F2-I182 VanDerWaalsContact CZ-CG1 3.46Å; N9-I182 PolarHBondContact O-N 3.39Å; I10-I182 CarbonylContact C-O 3.57Å; I10-I182 WeakPolarHBondContact CA-O 3.26Å; I10-I182 HydrophobicContact CG1-CB 4.45Å; S11-I182 PolarHBondContact N-O 3.45Å; L36-I182 HydrophobicContact CD1-CD1 4.33Å; L36-I182 HydrophobicContact CD2-CD1 4.12Å; I182-D192 HydrophobicContact CG2-CB 4.38Å; I182-I193 HydrophobicContact CG2-CD1 4.05Å; I182-I193 HydrophobicContact CG2-CG1 4.42Å; I182-F248 HydrophobicContact CD1-CE1 4.31Å; I182-F248 HydrophobicContact CD1-CZ 4.42Å; I182-F248 HydrophobicContact CG1-CZ 4.35Å; I182-F248 HydrophobicContact CG2-CE1 4.1Å; I182-F248 HydrophobicContact CG2-CZ 4.01Å
183T95.3Very high87.4Confident5 Ų539.3 Ų39.33%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-99.4132-175.454.20000112.2L173 Y176 T181 D192 I193L173-T183 HydrophobicContact CD2-CG2 4.09Å; L173-T183 HydrophobicContact CG-CG2 4.33Å; Y176-T183 HydrophobicContact CD2-CG2 3.77Å; Y176-T183 HydrophobicContact CE2-CG2 4.31Å; T181-T183 HydrophobicContact CG2-CG2 4.35Å; T181-T183 PolarHBondContact O-N 2.89Å; T183-D192 PolarHBondContact N-OD2 3.5Å; T183-D192 WeakPolarHBondContact O-CB 3.01Å; T183-D192 PolarHBondContact O-N 3.42Å; T183-D192 PolarHBondContact OG1-N 2.8Å; T183-D192 PolarHBondContact OG1-OD2 3.28Å; T183-I193 PolarHBondContact O-N 3.26Å
184V97.1Very high87.6Confident0 Ų039.9 Ų39.90%019%0.193CC..EExtended strand (participates in β ladder)trans-124.1121-177.8-1720000110.4I10 S11 F12 A13 Y21 V25 I193I10-V184 HydrophobicContact CG2-CG2 4.35Å; S11-V184 PolarHBondContact O-N 2.86Å; F12-V184 HydrophobicContact CD1-CB 3.73Å; F12-V184 HydrophobicContact CD1-CG1 3.87Å; F12-V184 HydrophobicContact CD1-CG2 4.05Å; F12-V184 HydrophobicContact CE1-CB 4.05Å; F12-V184 HydrophobicContact CE1-CG1 4.05Å; F12-V184 HydrophobicContact CE1-CG2 3.91Å; F12-V184 HydrophobicContact CG-CB 4.48Å; A13-V184 WeakPolarHBondContact CB-O 3.25Å; A13-V184 PolarHBondContact N-O 3.22Å; Y21-V184 HydrophobicContact CE1-CG1 4.4Å; V25-V184 HydrophobicContact CB-CG1 4.04Å; V25-V184 HydrophobicContact CG1-CG1 3.71Å; V25-V184 HydrophobicContact CG1-CG2 4.02Å; V25-V184 HydrophobicContact CG2-CG1 3.83Å; V184-I193 WeakPolarHBondContact CA-O 3.38Å; V184-I193 HydrophobicContact CG1-CB 4.36Å; V184-I193 HydrophobicContact CG1-CG2 4.44Å; V184-I193 HydrophobicContact CG2-CB 4.29Å; V184-I193 HydrophobicContact CG2-CD1 4.19Å
185S95.7Very high88Confident0 Ų040.1 Ų40.10%020%0.195CC..  trans-138.6134.8178.9178.50000111.1F187 S191 I193 C194 P195S185-F187 PolarHBondContact O-N 3.21Å; S185-F187 PolarHBondContact OG-N 3.18Å; S185-F187 PolarHBondContact OG-O 3.45Å; S185-S191 VanDerWaalsContact CB-OG 3.27Å; S185-S191 WeakPolarHBondContact CB-OG 3.38Å; S185-I193 PolarHBondContact N-O 3.47Å; S185-C194 WeakPolarHBondContact O-CA 3.43Å; S185-C194 WeakPolarHBondContact O-CB 3.25Å; S185-P195 WeakPolarHBondContact O-CD 3.34Å
186P93.3Very high88.1Confident3 Ų343 Ų432%0.01920%0.202CC..SBendtrans-79.43173.234.7-33.5000112.7C15 L18 Y21 P195 R221C15-P186 HydrophobicContact CB-CG 3.28Å; L18-P186 HydrophobicContact CB-CB 4.08Å; L18-P186 HydrophobicContact CB-CG 4.01Å; L18-P186 HydrophobicContact CD1-CB 4.26Å; L18-P186 HydrophobicContact CD1-CG 4.27Å; Y21-P186 HydrophobicContact CD1-CB 3.66Å; Y21-P186 HydrophobicContact CD2-CB 4.45Å; Y21-P186 HydrophobicContact CE1-CB 4.31Å; Y21-P186 HydrophobicContact CG-CB 3.75Å; P186-P195 WeakPolarHBondContact O-CG 3.49Å; P186-R221 VanDerWaalsContact O-CD 3.25Å; P186-R221 WeakPolarHBondContact O-CD 3.29Å
187F92.1Very high88.5Confident11 Ų1142.1 Ų42.15%0.04820%0.201CC..SBendtrans-102.9137.9176.4-52.9-72.8000109.9C15 L18 S185 G189 C194 T210 I212 R221 V222 A225C15-F187 HydrophobicContact CB-CE2 3.94Å; C15-F187 HydrophobicContact CB-CZ 4.12Å; L18-F187 HydrophobicContact CD1-CE1 3.92Å; L18-F187 HydrophobicContact CD1-CZ 4.28Å; S185-F187 PolarHBondContact O-N 3.21Å; S185-F187 PolarHBondContact OG-N 3.18Å; S185-F187 PolarHBondContact OG-O 3.45Å; F187-G189 PolarHBondContact O-N 2.64Å; F187-C194 VanDerWaalsContact O-CB 3.32Å; F187-C194 WeakPolarHBondContact O-CB 3.43Å; F187-T210 HydrophobicContact CD2-CG2 4.44Å; F187-I212 HydrophobicContact CB-CD1 4.4Å; F187-I212 HydrophobicContact CB-CG1 3.99Å; F187-I212 HydrophobicContact CB-CG2 4.24Å; F187-I212 HydrophobicContact CD2-CD1 4.07Å; F187-I212 HydrophobicContact CD2-CG1 4.4Å; F187-I212 HydrophobicContact CG-CD1 4.11Å; F187-I212 HydrophobicContact CG-CG1 4.25Å; F187-R221 HydrophobicContact CD1-CB 3.82Å; F187-R221 HydrophobicContact CE1-CB 3.93Å; F187-V222 HydrophobicContact CD1-CG2 4.21Å; F187-V222 HydrophobicContact CE1-CG2 3.77Å; F187-V222 HydrophobicContact CZ-CG2 4.48Å; F187-A225 HydrophobicContact CZ-CB 4.44Å
188S89.4Confident88.2Confident4 Ų442.1 Ų42.13%0.02821%0.212CC..SBendtrans-66.2129.9176.6-173.60000110.1P195 D197 Q213 N218S188-P195 WeakPolarHBondContact CA-O 3.4Å; S188-P195 WeakPolarHBondContact CB-O 3.2Å; S188-P195 PolarHBondContact OG-O 3.11Å; S188-D197 WeakPolarHBondContact CB-OD2 3.27Å; S188-Q213 PolarHBondContact O-N 2.9Å; S188-Q213 PolarHBondContact OG-OE1 2.95Å; S188-N218 PolarHBondContact N-OD1 3.45Å; S188-N218 PolarHBondContact O-ND2 3.16Å
189G87.1Confident87.5Confident10 Ų1041.1 Ų41.110%0.10321%0.211CC..SBendtrans171.1-153.6-177.900000112.1F187 S191 C194F187-G189 PolarHBondContact O-N 2.64Å; G189-S191 VanDerWaalsContact C-N 3.31Å; G189-S191 PolarHBondContact O-N 3.23Å; G189-C194 PolarHBondContact O-SG 3.24Å; G189-C194 VanDerWaalsContact O-SG 3.41Å
190E86.3Confident86.4Confident122 Ų12238.2 Ų38.257%0.5721%0.21SC*.SBendtrans-83.618.5-178.1-59-62.5118.800115.8E204 S211E190-E204 WeakPolarHBondContact CG-OE2 3.4Å; E190-E204 PolarHBondContact N-OE1 3.11Å; E190-S211 WeakPolarHBondContact CA-OG 3.21Å; E190-S211 WeakPolarHBondContact CB-OG 3.07Å; E190-S211 PolarHBondContact N-OG 2.75Å
191S90.1Very high85.1Confident9 Ų940 Ų406%0.06322%0.219CC..  trans-79.3148.5173.7-59.20000111.3S185 G189 I193S185-S191 VanDerWaalsContact CB-OG 3.27Å; S185-S191 WeakPolarHBondContact CB-OG 3.38Å; G189-S191 VanDerWaalsContact C-N 3.31Å; G189-S191 PolarHBondContact O-N 3.23Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-I193 PolarHBondContact O-N 3.07Å
192D92.8Very high83.5Confident68 Ų6847.4 Ų47.436%0.36426%0.257SS..SBendtrans-59.5-42.7-178.5-66.8-60.6000112.4I182 T183 F248I182-D192 HydrophobicContact CG2-CB 4.38Å; T183-D192 PolarHBondContact N-OD2 3.5Å; T183-D192 WeakPolarHBondContact O-CB 3.01Å; T183-D192 PolarHBondContact O-N 3.42Å; T183-D192 PolarHBondContact OG1-N 2.8Å; T183-D192 PolarHBondContact OG1-OD2 3.28Å; D192-F248 HydrophobicContact CB-CD2 3.96Å; D192-F248 HydrophobicContact CB-CE2 3.63Å; D192-F248 HydrophobicContact CB-CZ 4.38Å; D192-F248 WeakPolarHBondContact O-CD2 3.45Å
193I95.6Very high82.1Confident1 Ų154 Ų541%0.00529%0.288CS..BIsolated β-bridgetrans-119.5103.4176.6-52.8178.3000108.5V25 L29 I182 T183 V184 S185 S191 D244 A245 F248V25-I193 HydrophobicContact CG1-CD1 3.95Å; V25-I193 HydrophobicContact CG1-CG2 4.03Å; V25-I193 HydrophobicContact CG2-CG2 3.76Å; L29-I193 HydrophobicContact CD2-CD1 4.32Å; I182-I193 HydrophobicContact CG2-CD1 4.05Å; I182-I193 HydrophobicContact CG2-CG1 4.42Å; T183-I193 PolarHBondContact O-N 3.26Å; V184-I193 WeakPolarHBondContact CA-O 3.38Å; V184-I193 HydrophobicContact CG1-CB 4.36Å; V184-I193 HydrophobicContact CG1-CG2 4.44Å; V184-I193 HydrophobicContact CG2-CB 4.29Å; V184-I193 HydrophobicContact CG2-CD1 4.19Å; S185-I193 PolarHBondContact N-O 3.47Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-I193 PolarHBondContact O-N 3.07Å; I193-D244 HydrophobicContact CG2-CB 4.17Å; I193-A245 HydrophobicContact CD1-CB 4.24Å; I193-A245 HydrophobicContact CG2-CB 4.07Å; I193-F248 HydrophobicContact CD1-CB 4.33Å; I193-F248 HydrophobicContact CD1-CD1 3.83Å; I193-F248 HydrophobicContact CD1-CE1 4.37Å; I193-F248 HydrophobicContact CD1-CG 4.09Å; I193-F248 HydrophobicContact CG1-CB 3.77Å; I193-F248 HydrophobicContact CG1-CD1 3.92Å; I193-F248 HydrophobicContact CG1-CD2 4.08Å; I193-F248 HydrophobicContact CG1-CG 3.65Å
194C94.3Very high80.8Confident13 Ų1357.7 Ų57.79%0.08830%0.304CS..  trans-152164.8173.769.90000111.9Y21 S185 F187 G189Y21-C194 VanDerWaalsContact OH-C 3.25Å; Y21-C194 VanDerWaalsContact OH-CA 3.28Å; Y21-C194 WeakPolarHBondContact OH-CA 3.24Å; S185-C194 WeakPolarHBondContact O-CA 3.43Å; S185-C194 WeakPolarHBondContact O-CB 3.25Å; F187-C194 VanDerWaalsContact O-CB 3.32Å; F187-C194 WeakPolarHBondContact O-CB 3.43Å; G189-C194 PolarHBondContact O-SG 3.24Å; G189-C194 VanDerWaalsContact O-SG 3.41Å
195P92.6Very high79.5Confident6 Ų661.4 Ų61.44%0.03932%0.324CS..  trans-58.9144.9170.3-22.734.7000111Y21 S185 P186 S188 R221 D244Y21-P195 HydrophobicContact CE2-CG 3.81Å; Y21-P195 WeakPolarHBondContact OH-CD 3.25Å; S185-P195 WeakPolarHBondContact O-CD 3.34Å; P186-P195 WeakPolarHBondContact O-CG 3.49Å; S188-P195 WeakPolarHBondContact CA-O 3.4Å; S188-P195 WeakPolarHBondContact CB-O 3.2Å; S188-P195 PolarHBondContact OG-O 3.11Å; P195-R221 VanDerWaalsContact CB-NH2 3.32Å; P195-D244 WeakPolarHBondContact CA-OD2 3.13Å
196R84.4Confident78.4Confident133 Ų13367.7 Ų67.750%0.50235%0.348SS..  trans-109.5105175.9-64-174.6-177.1166.63.6110H247R196-H247 PolarHBondContact NH1-CD2 3.28Å; R196-H247 PolarHBondContact NH1-CE1 3.07Å; R196-H247 PolarHBondContact NH1-NE2 2.98Å; R196-H247 PolarHBondContact NH2-CD2 3.41Å; R196-H247 PolarHBondContact NH2-NE2 3.28Å; R196-H247 VanDerWaalsContact NH2-NE2 3.18Å
197D79.3Confident77.3Confident34 Ų3471.1 Ų71.118%0.18236%0.362CS..  trans-80.6145.8173.2-64.7-20.4000110.1S188 S199 T215 T217 R221S188-D197 WeakPolarHBondContact CB-OD2 3.27Å; D197-S199 PolarHBondContact O-N 3.35Å; D197-T215 PolarHBondContact OD2-OG1 3.25Å; D197-T217 WeakPolarHBondContact OD2-CB 3.24Å; D197-R221 VanDerWaalsContact CG-NH1 3.33Å; D197-R221 IonicContact OD1-CZ 2.74Å; D197-R221 IonicContact OD1-NH1 3.84Å; D197-R221 PolarHBondContact OD1-NH1 2.85Å; D197-R221 IonicContact OD1-NH2 3.74Å; D197-R221 PolarHBondContact OD1-NH2 3.29Å; D197-R221 IonicContact OD2-CZ 3.43Å; D197-R221 IonicContact OD2-NH1 3.17Å; D197-R221 PolarHBondContact OD2-NH1 2.91Å; D197-R221 IonicContact OD2-NH2 3.94Å
198T64.6Low76.6Confident153 Ų15372.1 Ų72.194%0.93937%0.369SS*.SBendtrans-70.2-9.1-178.6150000114.1
199S59.9Low76Confident48 Ų4873.9 Ų73.934%0.33638%0.379SS..  trans-84.5122-177.656.40000111.9D197 N201 T215D197-S199 PolarHBondContact O-N 3.35Å; S199-N201 PolarHBondContact O-N 2.71Å; S199-T215 WeakPolarHBondContact OG-CG2 3.47Å
200T53.3Low75.3Confident138 Ų13873.4 Ų73.485%0.84737%0.374SS*.  trans-79.543.6173.356.30000112.4I202T200-I202 PolarHBondContact O-N 3.49Å
201N56.9Low74.9Confident77 Ų7767.7 Ų67.741%0.41235%0.347SS..  trans-72.8120.9178.2-109.3-12.6000109.4S199 H203 F214 T215S199-N201 PolarHBondContact O-N 2.71Å; N201-H203 PolarHBondContact O-N 3.11Å; N201-F214 PolarHBondContact ND2-O 3.21Å; N201-T215 HydrophobicContact CB-CG2 4.49Å
202I59.1Low74.4Confident161 Ų16168.2 Ų68.283%0.82635%0.349SS*.  trans-80.2-10-177.5-49.2166.4000111.1T200 E204T200-I202 PolarHBondContact O-N 3.49Å; I202-E204 PolarHBondContact O-N 2.9Å
203H65.1Low73.7Confident139 Ų13966.5 Ų66.564%0.64434%0.339SS*.  trans-85.5112.7-178.9-61.4-59.3000111.5N201 F214N201-H203 PolarHBondContact O-N 3.11Å; H203-F214 HydrophobicContact CB-CB 4.39Å; H203-F214 PolarHBondContact O-N 2.74Å
204E68.2Low72.9Confident81 Ų8173.9 Ų73.938%0.37937%0.371SS..EExtended strand (participates in β ladder)trans-115.6134.4178.6-170.5167-134.800111.2E190 I202 S211E190-E204 WeakPolarHBondContact CG-OE2 3.4Å; E190-E204 PolarHBondContact N-OE1 3.11Å; I202-E204 PolarHBondContact O-N 2.9Å; E204-S211 VanDerWaalsContact OE1-C 3.32Å; E204-S211 WeakPolarHBondContact OE1-CA 3.42Å; E204-S211 WeakPolarHBondContact OE1-CB 3.34Å; E204-S211 PolarHBondContact OE1-OG 3.01Å
205L69.9Low72.2Confident79 Ų7974 Ų7441%0.41437%0.371SS..EExtended strand (participates in β ladder)trans-96.3118.9169.6-176.775.7000108.1I212 L460L205-I212 PolarHBondContact N-O 3.19Å; L205-I212 PolarHBondContact O-N 2.96Å; L205-L460 HydrophobicContact CD1-CD2 3.97Å
206R73Confident71.6Confident132 Ų13280.7 Ų80.750%0.49841%0.406SS..EExtended strand (participates in β ladder)trans-92.5112.3171.2-151.1-178.5-155-154.43.6108.9T210R206-T210 CarbonylContact C-O 3.56Å; R206-T210 WeakPolarHBondContact CA-O 3.21Å
207F69.7Low71.6Confident74 Ų7477.3 Ų77.333%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-115.4114175.2-175.5-99.4000108.3G168 N209 T210 M458G168-F207 WeakPolarHBondContact O-CE1 3.33Å; F207-N209 PolarHBondContact O-N 3.17Å; F207-T210 PolarHBondContact N-O 2.56Å; F207-T210 WeakPolarHBondContact O-CA 3.44Å; F207-T210 WeakPolarHBondContact O-CB 3.47Å; F207-T210 PolarHBondContact O-N 3.14Å; F207-M458 HydrophobicContact CD2-CE 4.13Å; F207-M458 HydrophobicContact CE2-CE 3.79Å; F207-M458 HydrophobicContact CE2-SD 4.15Å
208T77.1Confident72Confident32 Ų3275.8 Ų75.820%0.19639%0.392CS..THydrogen-bonded Turntrans45.159173.155.30000113.3G168 I169 N172 T210G168-T208 WeakPolarHBondContact O-CB 3.13Å; G168-T208 WeakPolarHBondContact O-CG2 3.38Å; G168-T208 PolarHBondContact O-OG1 3.24Å; I169-T208 WeakPolarHBondContact O-CG2 3.14Å; N172-T208 WeakPolarHBondContact CB-O 3.46Å; N172-T208 WeakPolarHBondContact CB-OG1 3.42Å; N172-T208 PolarHBondContact N-O 3.25Å; T208-T210 PolarHBondContact O-N 3.04Å; T208-T210 VanDerWaalsContact O-N 3.12Å
209N76.8Confident72.9Confident42 Ų4274 Ų7423%0.22538%0.376CS..THydrogen-bonded Turntrans63.56.9-176.6-60.6-34.1000116.6D171 L173 Y176 F207D171-N209 PolarHBondContact OD1-ND2 3.14Å; L173-N209 HydrophobicContact CB-CB 4.48Å; Y176-N209 HydrophobicContact CG-CB 4.49Å; F207-N209 PolarHBondContact O-N 3.17Å
210T73.5Confident74.2Confident0 Ų076.7 Ų76.70%038%0.38CS..EExtended strand (participates in β ladder)trans-102.7130169.8-520000110.1A13 N172 F187 R206 F207 T208 I212A13-T210 HydrophobicContact CB-CG2 4.48Å; N172-T210 WeakPolarHBondContact CB-OG1 3.46Å; N172-T210 PolarHBondContact ND2-OG1 3.06Å; F187-T210 HydrophobicContact CD2-CG2 4.44Å; R206-T210 CarbonylContact C-O 3.56Å; R206-T210 WeakPolarHBondContact CA-O 3.21Å; F207-T210 PolarHBondContact N-O 2.56Å; F207-T210 WeakPolarHBondContact O-CA 3.44Å; F207-T210 WeakPolarHBondContact O-CB 3.47Å; F207-T210 PolarHBondContact O-N 3.14Å; T208-T210 PolarHBondContact O-N 3.04Å; T208-T210 VanDerWaalsContact O-N 3.12Å; T210-I212 HydrophobicContact CG2-CD1 4.32Å; T210-I212 HydrophobicContact CG2-CG1 3.96Å
211S77.6Confident75.9Confident1 Ų171.7 Ų71.71%0.00735%0.345CS..EExtended strand (participates in β ladder)trans-97.4113.6-177.767.10000108.4E190 E204E190-S211 WeakPolarHBondContact CA-OG 3.21Å; E190-S211 WeakPolarHBondContact CB-OG 3.07Å; E190-S211 PolarHBondContact N-OG 2.75Å; E204-S211 VanDerWaalsContact OE1-C 3.32Å; E204-S211 WeakPolarHBondContact OE1-CA 3.42Å; E204-S211 WeakPolarHBondContact OE1-CB 3.34Å; E204-S211 PolarHBondContact OE1-OG 3.01Å
212I79.3Confident77.4Confident21 Ų2170.9 Ų70.911%0.10834%0.343CS..EExtended strand (participates in β ladder)trans-123.6114-173.4-56.5179000109.1F187 L205 T210 N218F187-I212 HydrophobicContact CB-CD1 4.4Å; F187-I212 HydrophobicContact CB-CG1 3.99Å; F187-I212 HydrophobicContact CB-CG2 4.24Å; F187-I212 HydrophobicContact CD2-CD1 4.07Å; F187-I212 HydrophobicContact CD2-CG1 4.4Å; F187-I212 HydrophobicContact CG-CD1 4.11Å; F187-I212 HydrophobicContact CG-CG1 4.25Å; L205-I212 PolarHBondContact N-O 3.19Å; L205-I212 PolarHBondContact O-N 2.96Å; T210-I212 HydrophobicContact CG2-CD1 4.32Å; T210-I212 HydrophobicContact CG2-CG1 3.96Å; I212-N218 HydrophobicContact CG2-CB 3.95Å
213Q78.5Confident78.8Confident32 Ų3265.2 Ų65.215%0.1532%0.318CS..EExtended strand (participates in β ladder)trans-63.1138.7175.5-71.8167.7-6.600111.4S188 T215 N218S188-Q213 PolarHBondContact O-N 2.9Å; S188-Q213 PolarHBondContact OG-OE1 2.95Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 HydrophobicContact CB-CG2 3.99Å; Q213-T215 PolarHBondContact O-N 3.33Å; Q213-N218 PolarHBondContact N-ND2 3.16Å; Q213-N218 WeakPolarHBondContact O-CB 3.15Å; Q213-N218 PolarHBondContact O-ND2 2.89Å
214F78.9Confident80.1Confident155 Ų15561.6 Ų61.668%0.6830%0.299SS*.  trans-77.483176.8-165.1-102.3000110.6N201 H203N201-F214 PolarHBondContact ND2-O 3.21Å; H203-F214 HydrophobicContact CB-CB 4.39Å; H203-F214 PolarHBondContact O-N 2.74Å
215T78.8Confident81.2Confident15 Ų1558.2 Ų58.29%0.09229%0.285CS..  trans-129.2152.3179.371.80000110.8D197 S199 N201 Q213 T217 N218 L219D197-T215 PolarHBondContact OD2-OG1 3.25Å; S199-T215 WeakPolarHBondContact OG-CG2 3.47Å; N201-T215 HydrophobicContact CB-CG2 4.49Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 HydrophobicContact CB-CG2 3.99Å; Q213-T215 PolarHBondContact O-N 3.33Å; T215-T217 PolarHBondContact O-N 3.32Å; T215-N218 PolarHBondContact O-N 3.12Å; T215-N218 VanDerWaalsContact O-N 3.15Å; T215-N218 WeakPolarHBondContact OG1-CB 3Å; T215-N218 PolarHBondContact OG1-N 2.88Å; T215-L219 PolarHBondContact O-N 3.34Å
216L80.9Confident82Confident147 Ų14757.5 Ų57.577%0.7728%0.281SS*.Hα-helixtrans-58.6-33.5173.3-71.9173.4000111.7L219 Y220L216-L219 PolarHBondContact O-N 3.43Å; L216-Y220 WeakPolarHBondContact O-CB 3.5Å; L216-Y220 PolarHBondContact O-N 3.18Å
217T84.1Confident82.8Confident62 Ų6255.1 Ų55.138%0.3828%0.275SS..Hα-helixtrans-66.3-42.2176.7-42.40000111.5D197 T215 Y220 R221D197-T217 WeakPolarHBondContact OD2-CB 3.24Å; T215-T217 PolarHBondContact O-N 3.32Å; T217-Y220 WeakPolarHBondContact O-CB 3.26Å; T217-Y220 PolarHBondContact O-N 3.29Å; T217-R221 WeakPolarHBondContact O-CG 3.49Å; T217-R221 PolarHBondContact O-N 2.67Å
218N86Confident83.8Confident2 Ų251.8 Ų51.81%0.01126%0.26CS..Hα-helixtrans-69.3-37.5173.8-86.4-14.7000112.6S188 I212 Q213 T215 Y220 R221 V222S188-N218 PolarHBondContact N-OD1 3.45Å; S188-N218 PolarHBondContact O-ND2 3.16Å; I212-N218 HydrophobicContact CG2-CB 3.95Å; Q213-N218 PolarHBondContact N-ND2 3.16Å; Q213-N218 WeakPolarHBondContact O-CB 3.15Å; Q213-N218 PolarHBondContact O-ND2 2.89Å; T215-N218 PolarHBondContact O-N 3.12Å; T215-N218 VanDerWaalsContact O-N 3.15Å; T215-N218 WeakPolarHBondContact OG1-CB 3Å; T215-N218 PolarHBondContact OG1-N 2.88Å; N218-Y220 VanDerWaalsContact C-N 3.28Å; N218-Y220 PolarHBondContact O-N 3.3Å; N218-R221 WeakPolarHBondContact O-CB 3.11Å; N218-R221 PolarHBondContact O-N 2.86Å; N218-R221 VanDerWaalsContact O-N 3.11Å; N218-R221 WeakPolarHBondContact OD1-CD 3.35Å; N218-R221 PolarHBondContact OD1-NH1 3.35Å; N218-V222 WeakPolarHBondContact O-CG2 3.43Å; N218-V222 PolarHBondContact O-N 3.27Å
219L84.6Confident84.4Confident116 Ų11650.4 Ų50.461%0.60725%0.252SS*.Hα-helixtrans-61-40.5172.3-175.462.3000111.4T215 L216 V222 S223T215-L219 PolarHBondContact O-N 3.34Å; L216-L219 PolarHBondContact O-N 3.43Å; L219-V222 PolarHBondContact O-N 3.25Å; L219-S223 PolarHBondContact O-N 2.81Å
220Y86.4Confident85Confident104 Ų10451.6 Ų51.641%0.40826%0.258SS..Hα-helixtrans-59.9-45.8171.5172.2-95.9000111.5L216 T217 N218 S223 R224 M237L216-Y220 WeakPolarHBondContact O-CB 3.5Å; L216-Y220 PolarHBondContact O-N 3.18Å; T217-Y220 WeakPolarHBondContact O-CB 3.26Å; T217-Y220 PolarHBondContact O-N 3.29Å; N218-Y220 VanDerWaalsContact C-N 3.28Å; N218-Y220 PolarHBondContact O-N 3.3Å; Y220-S223 WeakPolarHBondContact O-CB 3.43Å; Y220-S223 PolarHBondContact O-N 3.05Å; Y220-R224 HydrophobicContact CD1-CG 4.06Å; Y220-R224 HydrophobicContact CD2-CG 4.31Å; Y220-R224 HydrophobicContact CE1-CG 3.58Å; Y220-R224 HydrophobicContact CE2-CG 3.88Å; Y220-R224 HydrophobicContact CG-CG 4.4Å; Y220-R224 VanDerWaalsContact CZ-CG 3.48Å; Y220-R224 WeakPolarHBondContact O-CG 3.4Å; Y220-R224 PolarHBondContact O-N 3.15Å; Y220-M237 HydrophobicContact CE1-CE 4.26Å
221R90.7Very high85.9Confident33 Ų3351.8 Ų51.813%0.12526%0.26CS..Hα-helixtrans-60.4-45.6176.3-72.2170.8-177.6118.95.4112L18 P186 F187 P195 D197 T217 N218 S223 R224 A225L18-R221 HydrophobicContact CD1-CB 3.76Å; L18-R221 HydrophobicContact CD1-CG 4.33Å; L18-R221 WeakPolarHBondContact CD1-O 3.39Å; P186-R221 VanDerWaalsContact O-CD 3.25Å; P186-R221 WeakPolarHBondContact O-CD 3.29Å; F187-R221 HydrophobicContact CD1-CB 3.82Å; F187-R221 HydrophobicContact CE1-CB 3.93Å; P195-R221 VanDerWaalsContact CB-NH2 3.32Å; D197-R221 VanDerWaalsContact CG-NH1 3.33Å; D197-R221 IonicContact OD1-CZ 2.74Å; D197-R221 IonicContact OD1-NH1 3.84Å; D197-R221 PolarHBondContact OD1-NH1 2.85Å; D197-R221 IonicContact OD1-NH2 3.74Å; D197-R221 PolarHBondContact OD1-NH2 3.29Å; D197-R221 IonicContact OD2-CZ 3.43Å; D197-R221 IonicContact OD2-NH1 3.17Å; D197-R221 PolarHBondContact OD2-NH1 2.91Å; D197-R221 IonicContact OD2-NH2 3.94Å; T217-R221 WeakPolarHBondContact O-CG 3.49Å; T217-R221 PolarHBondContact O-N 2.67Å; N218-R221 WeakPolarHBondContact O-CB 3.11Å; N218-R221 PolarHBondContact O-N 2.86Å; N218-R221 VanDerWaalsContact O-N 3.11Å; N218-R221 WeakPolarHBondContact OD1-CD 3.35Å; N218-R221 PolarHBondContact OD1-NH1 3.35Å; R221-S223 VanDerWaalsContact C-N 3.31Å; R221-S223 PolarHBondContact O-N 2.87Å; R221-R224 CarbonylContact O-C 3.53Å; R221-R224 PolarHBondContact O-N 3.28Å; R221-A225 PolarHBondContact O-N 2.76Å
222V88.4Confident86.5Confident60 Ų6056.9 Ų56.936%0.36429%0.285SS..Hα-helixtrans-59.3-43.9175.5172.30000110.7F187 N218 L219 R224 A225F187-V222 HydrophobicContact CD1-CG2 4.21Å; F187-V222 HydrophobicContact CE1-CG2 3.77Å; F187-V222 HydrophobicContact CZ-CG2 4.48Å; N218-V222 WeakPolarHBondContact O-CG2 3.43Å; N218-V222 PolarHBondContact O-N 3.27Å; L219-V222 PolarHBondContact O-N 3.25Å; V222-R224 VanDerWaalsContact C-N 3.33Å; V222-R224 PolarHBondContact O-N 2.88Å; V222-A225 WeakPolarHBondContact O-CB 3.47Å; V222-A225 PolarHBondContact O-N 2.82Å
223S87.9Confident87.1Confident43 Ų4359.6 Ų59.630%0.30130%0.298SS..Hα-helixtrans-58.8-43.7172.71690000112L219 Y220 R221 A225 L226 F227L219-S223 PolarHBondContact O-N 2.81Å; Y220-S223 WeakPolarHBondContact O-CB 3.43Å; Y220-S223 PolarHBondContact O-N 3.05Å; R221-S223 VanDerWaalsContact C-N 3.31Å; R221-S223 PolarHBondContact O-N 2.87Å; S223-A225 VanDerWaalsContact C-N 3.33Å; S223-A225 PolarHBondContact O-N 2.76Å; S223-L226 PolarHBondContact O-N 3.12Å; S223-F227 WeakPolarHBondContact O-CB 3.48Å; S223-F227 PolarHBondContact O-N 3.49Å
224R90.9Very high87.9Confident62 Ų6258 Ų5823%0.23429%0.291CS..Hα-helixtrans-72.3-23.5-179.7-67.7-47.8101.5-178.413.6113.9L18 Y220 R221 V222 L226 F227 P229 M237L18-R224 HydrophobicContact CD2-CB 3.93Å; Y220-R224 HydrophobicContact CD1-CG 4.06Å; Y220-R224 HydrophobicContact CD2-CG 4.31Å; Y220-R224 HydrophobicContact CE1-CG 3.58Å; Y220-R224 HydrophobicContact CE2-CG 3.88Å; Y220-R224 HydrophobicContact CG-CG 4.4Å; Y220-R224 VanDerWaalsContact CZ-CG 3.48Å; Y220-R224 WeakPolarHBondContact O-CG 3.4Å; Y220-R224 PolarHBondContact O-N 3.15Å; R221-R224 CarbonylContact O-C 3.53Å; R221-R224 PolarHBondContact O-N 3.28Å; V222-R224 VanDerWaalsContact C-N 3.33Å; V222-R224 PolarHBondContact O-N 2.88Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-F227 WeakPolarHBondContact CA-O 3.42Å; R224-F227 PolarHBondContact NH1-O 3.21Å; R224-F227 CarbonylContact O-C 3.49Å; R224-P229 HydrophobicContact CB-CG 4.42Å; R224-P229 HydrophobicContact CG-CB 4.39Å; R224-P229 HydrophobicContact CG-CG 4.34Å; R224-M237 HydrophobicContact CG-CE 4.4Å
225A91.3Very high88.6Confident11 Ų1152.2 Ų52.29%0.09127%0.265CS..Hα-helixtrans-63.3-38.2172.400000111.5C15 G16 F17 L18 F187 R221 V222 S223C15-A225 WeakPolarHBondContact O-CA 3.16Å; C15-A225 WeakPolarHBondContact O-CB 3.09Å; G16-A225 WeakPolarHBondContact CA-O 3.23Å; F17-A225 WeakPolarHBondContact CD2-O 3.33Å; F17-A225 PolarHBondContact N-O 2.9Å; L18-A225 HydrophobicContact CD1-CB 4.29Å; L18-A225 HydrophobicContact CG-CB 4.18Å; F187-A225 HydrophobicContact CZ-CB 4.44Å; R221-A225 PolarHBondContact O-N 2.76Å; V222-A225 WeakPolarHBondContact O-CB 3.47Å; V222-A225 PolarHBondContact O-N 2.82Å; S223-A225 VanDerWaalsContact C-N 3.33Å; S223-A225 PolarHBondContact O-N 2.76Å
226L88.4Confident89.2Confident64 Ų6453.5 Ų53.534%0.33528%0.282SS..Hα-helixtrans-90.6-33.7177.6-63.7176.5000113.2I148 Y151 S223 R224I148-L226 HydrophobicContact CD1-CD2 4.08Å; Y151-L226 HydrophobicContact CD2-CD2 4.27Å; Y151-L226 HydrophobicContact CE2-CB 4.28Å; Y151-L226 HydrophobicContact CE2-CD2 4.2Å; Y151-L226 PolarHBondContact OH-O 3.47Å; S223-L226 PolarHBondContact O-N 3.12Å; R224-L226 VanDerWaalsContact C-N 3.31Å
227F90.1Very high89.9Confident82 Ų8247.9 Ų47.936%0.3625%0.252SS..SBendtrans-122.699.7-176.1-64.1-83.8000110.7P83 M84 S223 R224P83-F227 HydrophobicContact CG-CD1 3.65Å; P83-F227 HydrophobicContact CG-CE1 3.85Å; M84-F227 HydrophobicContact CG-CE1 4.03Å; M84-F227 HydrophobicContact CG-CZ 4.25Å; S223-F227 WeakPolarHBondContact O-CB 3.48Å; S223-F227 PolarHBondContact O-N 3.49Å; R224-F227 WeakPolarHBondContact CA-O 3.42Å; R224-F227 PolarHBondContact NH1-O 3.21Å; R224-F227 CarbonylContact O-C 3.49Å
228P90.4Very high90.5Very high4 Ų445 Ų453%0.02623%0.234CC..  trans-60.4135.7-16714.5-21.9000111.8F17 A73 A76 R77F17-P228 HydrophobicContact CB-CB 3.99Å; F17-P228 HydrophobicContact CD1-CB 3.79Å; F17-P228 HydrophobicContact CD1-CG 4.05Å; F17-P228 HydrophobicContact CD2-CB 3.91Å; F17-P228 HydrophobicContact CD2-CG 3.77Å; F17-P228 HydrophobicContact CE1-CB 4.22Å; F17-P228 HydrophobicContact CE1-CG 4Å; F17-P228 HydrophobicContact CE2-CB 4.32Å; F17-P228 HydrophobicContact CE2-CG 3.71Å; F17-P228 HydrophobicContact CG-CB 3.62Å; F17-P228 HydrophobicContact CG-CG 3.94Å; F17-P228 HydrophobicContact CZ-CB 4.47Å; F17-P228 HydrophobicContact CZ-CG 3.83Å; A73-P228 HydrophobicContact CB-CB 3.64Å; A73-P228 HydrophobicContact CB-CG 4.19Å; A76-P228 HydrophobicContact CB-CG 3.72Å; R77-P228 HydrophobicContact CG-CG 4.04Å; R77-P228 PolarHBondContact NH1-O 3.39Å
229P89Confident90.9Very high3 Ų347.6 Ų47.62%0.01925%0.245CC..  trans-72.9-179.4172.730.1-30.5000111.3R77 R224 I233 M234 M237R77-P229 WeakPolarHBondContact CD-O 3.43Å; R77-P229 PolarHBondContact NH1-O 3.47Å; R224-P229 HydrophobicContact CB-CG 4.42Å; R224-P229 HydrophobicContact CG-CB 4.39Å; R224-P229 HydrophobicContact CG-CG 4.34Å; P229-I233 HydrophobicContact CB-CB 4.07Å; P229-I233 HydrophobicContact CB-CD1 4.29Å; P229-I233 HydrophobicContact CB-CG2 3.92Å; P229-I233 HydrophobicContact CG-CB 4.49Å; P229-I233 HydrophobicContact CG-CG2 4.15Å; P229-M234 HydrophobicContact CG-CG 3.73Å; P229-M237 HydrophobicContact CG-CE 3.98Å; P229-M237 HydrophobicContact CG-SD 4.07Å
230N90Very high91.4Very high66 Ų6646 Ų4635%0.35324%0.235SC..  trans-60.6142.2175.9-179.2-69.1000110.1M232 I233 M234N230-M232 PolarHBondContact O-N 3.29Å; N230-M232 VanDerWaalsContact O-N 3.09Å; N230-M232 WeakPolarHBondContact OD1-CB 3.36Å; N230-M232 PolarHBondContact OD1-N 3.1Å; N230-I233 HydrophobicContact CB-CD1 4.11Å; N230-I233 HydrophobicContact CB-CG1 4.24Å; N230-I233 WeakPolarHBondContact O-CA 3.42Å; N230-I233 WeakPolarHBondContact O-CB 3.38Å; N230-I233 PolarHBondContact O-N 2.9Å; N230-M234 PolarHBondContact O-N 3.16Å
231P92.1Very high91.9Very high5 Ų541.1 Ų41.13%0.03222%0.216CC..Hα-helixtrans-48.3-37.3177.8-3237.1000114.9I70 K74 I233 M234 K235 C324I70-P231 HydrophobicContact CG2-CB 3.93Å; I70-P231 HydrophobicContact CG2-CG 4.29Å; K74-P231 HydrophobicContact CD-CG 4.5Å; K74-P231 HydrophobicContact CG-CG 3.93Å; P231-I233 VanDerWaalsContact C-N 3.35Å; P231-I233 PolarHBondContact O-N 3.06Å; P231-M234 WeakPolarHBondContact O-CB 3.5Å; P231-M234 PolarHBondContact O-N 2.88Å; P231-M234 VanDerWaalsContact O-N 3.16Å; P231-K235 PolarHBondContact O-N 3.2Å; P231-C324 HydrophobicContact CB-CB 4.29Å; P231-C324 PolarHBondContact O-SG 3.03Å
232M89.9Confident92.2Very high108 Ų10839.9 Ų39.953%0.53221%0.211SC..Hα-helixtrans-66.2-35.7176.8-68.6-59.1-66.300112.9N230 M234 K235 G236 C324N230-M232 PolarHBondContact O-N 3.29Å; N230-M232 VanDerWaalsContact O-N 3.09Å; N230-M232 WeakPolarHBondContact OD1-CB 3.36Å; N230-M232 PolarHBondContact OD1-N 3.1Å; M232-M234 VanDerWaalsContact C-N 3.34Å; M232-K235 PolarHBondContact O-N 3.44Å; M232-G236 PolarHBondContact O-N 3.41Å; M232-G236 VanDerWaalsContact O-N 3.11Å; M232-C324 HydrophobicContact SD-CB 3.85Å
233I92.1Very high92.5Very high77 Ų7740.8 Ų40.840%0.39521%0.21SC..Hα-helixtrans-67.1-40.3172.8-61.6173.4000109.6P229 N230 P231 K235 G236 M237P229-I233 HydrophobicContact CB-CB 4.07Å; P229-I233 HydrophobicContact CB-CD1 4.29Å; P229-I233 HydrophobicContact CB-CG2 3.92Å; P229-I233 HydrophobicContact CG-CB 4.49Å; P229-I233 HydrophobicContact CG-CG2 4.15Å; N230-I233 HydrophobicContact CB-CD1 4.11Å; N230-I233 HydrophobicContact CB-CG1 4.24Å; N230-I233 WeakPolarHBondContact O-CA 3.42Å; N230-I233 WeakPolarHBondContact O-CB 3.38Å; N230-I233 PolarHBondContact O-N 2.9Å; P231-I233 VanDerWaalsContact C-N 3.35Å; P231-I233 PolarHBondContact O-N 3.06Å; I233-K235 PolarHBondContact O-N 2.84Å; I233-G236 CarbonylContact O-C 3.57Å; I233-G236 WeakPolarHBondContact O-CA 3.4Å; I233-G236 PolarHBondContact O-N 2.84Å; I233-M237 HydrophobicContact CG2-CE 3.86Å; I233-M237 HydrophobicContact CG2-SD 4.42Å; I233-M237 WeakPolarHBondContact O-CG 3.43Å; I233-M237 PolarHBondContact O-N 2.99Å
234M94.4Very high92.9Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-61.9-40.8176-62.3-17872.600112.2F17 I20 I69 A73 P229 N230 P231 M232 G236 M237 C238F17-M234 WeakPolarHBondContact O-CE 3.21Å; I20-M234 HydrophobicContact CB-CE 4.28Å; I20-M234 HydrophobicContact CG1-CB 4.38Å; I20-M234 HydrophobicContact CG2-CB 4.08Å; I20-M234 HydrophobicContact CG2-CE 4.26Å; I20-M234 WeakPolarHBondContact CG2-O 3.32Å; I69-M234 HydrophobicContact CG2-CE 3.74Å; A73-M234 HydrophobicContact CB-CE 3.79Å; A73-M234 HydrophobicContact CB-SD 3.42Å; A73-M234 WeakPolarHBondContact CB-SD 3.48Å; P229-M234 HydrophobicContact CG-CG 3.73Å; N230-M234 PolarHBondContact O-N 3.16Å; P231-M234 WeakPolarHBondContact O-CB 3.5Å; P231-M234 PolarHBondContact O-N 2.88Å; P231-M234 VanDerWaalsContact O-N 3.16Å; M232-M234 VanDerWaalsContact C-N 3.34Å; M234-G236 VanDerWaalsContact C-N 3.28Å; M234-G236 PolarHBondContact O-N 3.35Å; M234-M237 WeakPolarHBondContact O-CB 3.41Å; M234-M237 PolarHBondContact O-N 3.44Å; M234-C238 PolarHBondContact O-N 2.88Å
235K93.4Very high93.1Very high32 Ų3236.7 Ų36.714%0.13919%0.19CC..Hα-helixtrans-58.6-41.6170.8-175.7-171.8177.9-171.80111.4P231 M232 I233 C238 K239 H317 L320 L321P231-K235 PolarHBondContact O-N 3.2Å; M232-K235 PolarHBondContact O-N 3.44Å; I233-K235 PolarHBondContact O-N 2.84Å; K235-C238 WeakPolarHBondContact O-CB 2.89Å; K235-C238 PolarHBondContact O-N 3.33Å; K235-K239 PolarHBondContact O-N 3.13Å; K235-H317 VanDerWaalsContact CE-CE1 3.49Å; K235-H317 WeakPolarHBondContact CE-CE1 3.4Å; K235-H317 PolarHBondContact NZ-CE1 2.96Å; K235-H317 PolarHBondContact NZ-NE2 3.06Å; K235-H317 VanDerWaalsContact NZ-NE2 3.11Å; K235-L320 HydrophobicContact CG-CB 4.41Å; K235-L321 HydrophobicContact CD-CD2 4.15Å
236G92.9Very high93.2Very high42 Ų4236.5 Ų36.543%0.43319%0.187SC..Hα-helixtrans-59.6-44.5173.400000112.6M232 I233 M234 C238 K239 Q240M232-G236 PolarHBondContact O-N 3.41Å; M232-G236 VanDerWaalsContact O-N 3.11Å; I233-G236 CarbonylContact O-C 3.57Å; I233-G236 WeakPolarHBondContact O-CA 3.4Å; I233-G236 PolarHBondContact O-N 2.84Å; M234-G236 VanDerWaalsContact C-N 3.28Å; M234-G236 PolarHBondContact O-N 3.35Å; G236-C238 VanDerWaalsContact C-N 3.32Å; G236-C238 PolarHBondContact O-N 3.11Å; G236-K239 PolarHBondContact O-N 3.34Å; G236-Q240 PolarHBondContact O-N 3.16Å
237M95.1Very high93.5Very high30 Ų3037.3 Ų37.315%0.14819%0.189CC..Hα-helixtrans-62.3-36.8175.2-67.3170.2170.300112.3L18 I20 Y220 R224 P229 I233 M234 Q240 G241L18-M237 HydrophobicContact CD2-CE 3.92Å; L18-M237 HydrophobicContact CD2-SD 3.58Å; L18-M237 VanDerWaalsContact CD2-SD 3.58Å; I20-M237 HydrophobicContact CG2-CB 3.94Å; Y220-M237 HydrophobicContact CE1-CE 4.26Å; R224-M237 HydrophobicContact CG-CE 4.4Å; P229-M237 HydrophobicContact CG-CE 3.98Å; P229-M237 HydrophobicContact CG-SD 4.07Å; I233-M237 HydrophobicContact CG2-CE 3.86Å; I233-M237 HydrophobicContact CG2-SD 4.42Å; I233-M237 WeakPolarHBondContact O-CG 3.43Å; I233-M237 PolarHBondContact O-N 2.99Å; M234-M237 WeakPolarHBondContact O-CB 3.41Å; M234-M237 PolarHBondContact O-N 3.44Å; M237-Q240 WeakPolarHBondContact O-CB 3.17Å; M237-Q240 PolarHBondContact O-N 2.73Å; M237-G241 PolarHBondContact O-N 3.42Å
238C96.1Very high93.6Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-61.5-48.9172-164.70000111.7I20 G24 M234 K235 G236 Q240 G241 Y242 L312 L320I20-C238 HydrophobicContact CG1-CB 4.05Å; I20-C238 WeakPolarHBondContact O-CA 3.29Å; I20-C238 PolarHBondContact O-SG 3.11Å; G24-C238 WeakPolarHBondContact CA-O 3.31Å; G24-C238 PolarHBondContact N-SG 3.27Å; M234-C238 PolarHBondContact O-N 2.88Å; K235-C238 WeakPolarHBondContact O-CB 2.89Å; K235-C238 PolarHBondContact O-N 3.33Å; G236-C238 VanDerWaalsContact C-N 3.32Å; G236-C238 PolarHBondContact O-N 3.11Å; C238-Q240 PolarHBondContact O-N 3.19Å; C238-G241 PolarHBondContact O-N 3.14Å; C238-Y242 PolarHBondContact O-N 3.01Å; C238-Y242 VanDerWaalsContact O-N 3.08Å; C238-L312 HydrophobicContact CB-CD1 4.37Å; C238-L320 HydrophobicContact CB-CD1 3.85Å; C238-L320 VanDerWaalsContact SG-CD1 3.58Å
239K95.3Very high93.8Very high58 Ų5833.6 Ų33.625%0.25217%0.172SC..Hα-helixtrans-60-36.2175.9179.6168.6167.31660111.3K235 G236 Y242 K243 E310 L312K235-K239 PolarHBondContact O-N 3.13Å; G236-K239 PolarHBondContact O-N 3.34Å; K239-Y242 PolarHBondContact O-N 3.11Å; K239-K243 VanDerWaalsContact CE-CE 3.44Å; K239-K243 WeakPolarHBondContact O-CG 3.26Å; K239-K243 PolarHBondContact O-N 2.66Å; K239-K243 VanDerWaalsContact O-N 3.11Å; K239-E310 WeakPolarHBondContact CE-O 3.39Å; K239-E310 PolarHBondContact NZ-O 3.37Å; K239-E310 IonicContact NZ-OE1 2.79Å; K239-E310 PolarHBondContact NZ-OE1 3.27Å; K239-L312 HydrophobicContact CB-CD1 4.04Å; K239-L312 HydrophobicContact CB-CG 4.3Å
240Q94.9Very high93.9Very high83 Ų8337.8 Ų37.839%0.38819%0.19SC..Hα-helixtrans-63.6-48.1174.8-171.961.847.300111.8Y21 G236 M237 C238 Y242 K243 D244Y21-Q240 HydrophobicContact CE2-CG 4.29Å; G236-Q240 PolarHBondContact O-N 3.16Å; M237-Q240 WeakPolarHBondContact O-CB 3.17Å; M237-Q240 PolarHBondContact O-N 2.73Å; C238-Q240 PolarHBondContact O-N 3.19Å; Q240-Y242 VanDerWaalsContact C-N 3.27Å; Q240-Y242 PolarHBondContact O-N 2.93Å; Q240-K243 WeakPolarHBondContact O-CB 3.44Å; Q240-K243 PolarHBondContact O-N 3.34Å; Q240-D244 PolarHBondContact NE2-OD1 2.87Å; Q240-D244 PolarHBondContact O-N 2.89Å
241G96.6Very high93.9Very high0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-59-38.4177.500000113.2Y21 V25 M237 C238 A245Y21-G241 VanDerWaalsContact CD2-CA 3.45Å; V25-G241 VanDerWaalsContact CG2-O 3.3Å; V25-G241 WeakPolarHBondContact CG2-O 3.35Å; M237-G241 PolarHBondContact O-N 3.42Å; C238-G241 PolarHBondContact O-N 3.14Å; G241-A245 WeakPolarHBondContact O-CB 3.46Å; G241-A245 PolarHBondContact O-N 3.46Å
242Y96.4Very high93.8Very high7 Ų745.6 Ų45.63%0.02722%0.218CC..Hα-helixtrans-60.5-47.5172.5-173.1-77.8000112G24 C28 E31 Q32 C238 K239 Q240 D244 A245 L246 L312 P313G24-Y242 WeakPolarHBondContact O-CA 3.22Å; C28-Y242 VanDerWaalsContact CA-CE2 3.42Å; C28-Y242 HydrophobicContact CB-CD1 4.33Å; C28-Y242 HydrophobicContact CB-CD2 3.51Å; C28-Y242 HydrophobicContact CB-CE1 4.43Å; C28-Y242 HydrophobicContact CB-CE2 3.65Å; C28-Y242 HydrophobicContact CB-CG 3.87Å; E31-Y242 WeakPolarHBondContact OE2-CE2 3.18Å; E31-Y242 PolarHBondContact OE2-OH 2.93Å; Q32-Y242 PolarHBondContact NE2-OH 3.42Å; C238-Y242 PolarHBondContact O-N 3.01Å; C238-Y242 VanDerWaalsContact O-N 3.08Å; K239-Y242 PolarHBondContact O-N 3.11Å; Q240-Y242 VanDerWaalsContact C-N 3.27Å; Q240-Y242 PolarHBondContact O-N 2.93Å; Y242-D244 PolarHBondContact O-N 2.98Å; Y242-A245 PolarHBondContact O-N 3.07Å; Y242-L246 HydrophobicContact CE1-CD2 4.32Å; Y242-L246 WeakPolarHBondContact O-CB 3.35Å; Y242-L246 PolarHBondContact O-N 2.83Å; Y242-L312 HydrophobicContact CD2-CD2 4.2Å; Y242-L312 HydrophobicContact CG-CD2 4.3Å; Y242-P313 HydrophobicContact CE2-CG 4.07Å
243K94.8Very high93.7Very high80 Ų8043.1 Ų43.135%0.34822%0.22SC..Hα-helixtrans-62.8-42.2179.8-73.8-178.9176.1-168.80112.5K239 Q240 L246 H247 E310K239-K243 VanDerWaalsContact CE-CE 3.44Å; K239-K243 WeakPolarHBondContact O-CG 3.26Å; K239-K243 PolarHBondContact O-N 2.66Å; K239-K243 VanDerWaalsContact O-N 3.11Å; Q240-K243 WeakPolarHBondContact O-CB 3.44Å; Q240-K243 PolarHBondContact O-N 3.34Å; K243-L246 PolarHBondContact O-N 3.24Å; K243-H247 WeakPolarHBondContact O-CB 3.3Å; K243-H247 PolarHBondContact O-N 3.04Å; K243-E310 IonicContact NZ-OE1 3.89Å
244D95.9Very high93.5Very high19 Ų1939.7 Ų39.710%0.10220%0.202CC..Hα-helixtrans-66.6-42.6-179.7-64.6-22.2000111.1Y21 I193 P195 Q240 Y242 H247 F248Y21-D244 VanDerWaalsContact CE2-OD2 3.26Å; Y21-D244 WeakPolarHBondContact CE2-OD2 3.35Å; Y21-D244 VanDerWaalsContact OH-CB 3.24Å; Y21-D244 WeakPolarHBondContact OH-CB 3.34Å; Y21-D244 PolarHBondContact OH-OD2 3.37Å; I193-D244 HydrophobicContact CG2-CB 4.17Å; P195-D244 WeakPolarHBondContact CA-OD2 3.13Å; Q240-D244 PolarHBondContact NE2-OD1 2.87Å; Q240-D244 PolarHBondContact O-N 2.89Å; Y242-D244 PolarHBondContact O-N 2.98Å; D244-H247 PolarHBondContact O-N 3.48Å; D244-F248 PolarHBondContact O-N 3.42Å
245A95.8Very high92.9Very high0 Ų042.6 Ų42.60%022%0.217CC..Hα-helixtrans-61.8-44.8174.500000111.5V25 C28 I193 G241 Y242 H247 F248 L249V25-A245 HydrophobicContact CB-CB 4.25Å; V25-A245 HydrophobicContact CG1-CB 3.94Å; V25-A245 HydrophobicContact CG2-CB 4.33Å; C28-A245 HydrophobicContact CB-CB 3.67Å; I193-A245 HydrophobicContact CD1-CB 4.24Å; I193-A245 HydrophobicContact CG2-CB 4.07Å; G241-A245 WeakPolarHBondContact O-CB 3.46Å; G241-A245 PolarHBondContact O-N 3.46Å; Y242-A245 PolarHBondContact O-N 3.07Å; A245-H247 VanDerWaalsContact C-N 3.31Å; A245-H247 PolarHBondContact O-N 3.46Å; A245-F248 WeakPolarHBondContact O-CB 3.19Å; A245-F248 PolarHBondContact O-N 3.26Å; A245-F248 VanDerWaalsContact O-N 3.14Å; A245-L249 WeakPolarHBondContact O-CG 3.4Å; A245-L249 PolarHBondContact O-N 3.19Å
246L94.5Very high91.5Very high6 Ų645.9 Ų45.93%0.03125%0.245CC..Hα-helixtrans-62.7-41.3177.7-177.963.4000112C28 Q32 Y242 K243 F248 L249 K250 L255 I309C28-L246 VanDerWaalsContact SG-CA 3.57Å; C28-L246 PolarHBondContact SG-N 2.81Å; C28-L246 VanDerWaalsContact SG-N 3.36Å; Q32-L246 HydrophobicContact CG-CD1 4.06Å; Y242-L246 HydrophobicContact CE1-CD2 4.32Å; Y242-L246 WeakPolarHBondContact O-CB 3.35Å; Y242-L246 PolarHBondContact O-N 2.83Å; K243-L246 PolarHBondContact O-N 3.24Å; L246-F248 VanDerWaalsContact C-N 3.31Å; L246-F248 PolarHBondContact O-N 3.26Å; L246-L249 PolarHBondContact O-N 3.42Å; L246-K250 WeakPolarHBondContact O-CG 3.48Å; L246-K250 PolarHBondContact O-N 3.21Å; L246-L255 HydrophobicContact CD1-CD1 4.21Å; L246-L255 HydrophobicContact CD1-CD2 3.87Å; L246-I309 HydrophobicContact CD2-CB 4.14Å; L246-I309 HydrophobicContact CD2-CD1 4.06Å; L246-I309 HydrophobicContact CD2-CG1 4.08Å; L246-I309 HydrophobicContact CD2-CG2 3.08Å
247H93Very high90Very high81 Ų8148.6 Ų48.638%0.37524%0.242SC..Hα-helixtrans-61.7-42.4175.1-177.492.1000111R196 K243 D244 A245 L249 K250 R251R196-H247 PolarHBondContact NH1-CD2 3.28Å; R196-H247 PolarHBondContact NH1-CE1 3.07Å; R196-H247 PolarHBondContact NH1-NE2 2.98Å; R196-H247 PolarHBondContact NH2-CD2 3.41Å; R196-H247 PolarHBondContact NH2-NE2 3.28Å; R196-H247 VanDerWaalsContact NH2-NE2 3.18Å; K243-H247 WeakPolarHBondContact O-CB 3.3Å; K243-H247 PolarHBondContact O-N 3.04Å; D244-H247 PolarHBondContact O-N 3.48Å; A245-H247 VanDerWaalsContact C-N 3.31Å; A245-H247 PolarHBondContact O-N 3.46Å; H247-L249 VanDerWaalsContact C-N 3.35Å; H247-L249 PolarHBondContact O-N 3Å; H247-K250 PolarHBondContact O-N 2.88Å; H247-R251 WeakPolarHBondContact O-CB 3.45Å; H247-R251 PolarHBondContact O-N 3.26Å
248F93.6Very high88Confident9 Ų953.3 Ų53.34%0.03927%0.273CS..Hα-helixtrans-58.4-45.2173.5168.1-93.1000111.9I182 D192 I193 D244 A245 L246 R251 N252 L254I182-F248 HydrophobicContact CD1-CE1 4.31Å; I182-F248 HydrophobicContact CD1-CZ 4.42Å; I182-F248 HydrophobicContact CG1-CZ 4.35Å; I182-F248 HydrophobicContact CG2-CE1 4.1Å; I182-F248 HydrophobicContact CG2-CZ 4.01Å; D192-F248 HydrophobicContact CB-CD2 3.96Å; D192-F248 HydrophobicContact CB-CE2 3.63Å; D192-F248 HydrophobicContact CB-CZ 4.38Å; D192-F248 WeakPolarHBondContact O-CD2 3.45Å; I193-F248 HydrophobicContact CD1-CB 4.33Å; I193-F248 HydrophobicContact CD1-CD1 3.83Å; I193-F248 HydrophobicContact CD1-CE1 4.37Å; I193-F248 HydrophobicContact CD1-CG 4.09Å; I193-F248 HydrophobicContact CG1-CB 3.77Å; I193-F248 HydrophobicContact CG1-CD1 3.92Å; I193-F248 HydrophobicContact CG1-CD2 4.08Å; I193-F248 HydrophobicContact CG1-CG 3.65Å; D244-F248 PolarHBondContact O-N 3.42Å; A245-F248 WeakPolarHBondContact O-CB 3.19Å; A245-F248 PolarHBondContact O-N 3.26Å; A245-F248 VanDerWaalsContact O-N 3.14Å; L246-F248 VanDerWaalsContact C-N 3.31Å; L246-F248 PolarHBondContact O-N 3.26Å; F248-R251 PolarHBondContact O-N 3.47Å; F248-N252 VanDerWaalsContact CD2-ND2 3.32Å; F248-N252 WeakPolarHBondContact CD2-ND2 3.39Å; F248-N252 WeakPolarHBondContact CE2-ND2 3.5Å; F248-N252 WeakPolarHBondContact O-CB 3.33Å; F248-N252 PolarHBondContact O-N 3.44Å; F248-N252 VanDerWaalsContact O-N 3.11Å; F248-N252 PolarHBondContact O-ND2 2.85Å; F248-L254 HydrophobicContact CE1-CD1 3.99Å
249L93.2Very high85.7Confident0 Ų054.5 Ų54.50%029%0.285CS..Hα-helixtrans-62.2-44.3177.3-64.9177.6000111.9L29 Q32 A33 L36 A245 L246 H247 N252 G253 L254 L255L29-L249 HydrophobicContact CD2-CD1 4.43Å; L29-L249 HydrophobicContact CD2-CD2 4Å; L29-L249 HydrophobicContact CD2-CG 4.41Å; Q32-L249 HydrophobicContact CB-CD1 3.63Å; A33-L249 HydrophobicContact CB-CD1 3.87Å; A33-L249 HydrophobicContact CB-CD2 3.72Å; A33-L249 HydrophobicContact CB-CG 4.44Å; L36-L249 HydrophobicContact CD1-CD2 3.49Å; L36-L249 VanDerWaalsContact CD1-CD2 3.49Å; A245-L249 WeakPolarHBondContact O-CG 3.4Å; A245-L249 PolarHBondContact O-N 3.19Å; L246-L249 PolarHBondContact O-N 3.42Å; H247-L249 VanDerWaalsContact C-N 3.35Å; H247-L249 PolarHBondContact O-N 3Å; L249-N252 PolarHBondContact O-N 2.84Å; L249-G253 PolarHBondContact O-N 3.44Å; L249-G253 VanDerWaalsContact O-N 3.09Å; L249-L254 HydrophobicContact CB-CB 4.42Å; L249-L254 HydrophobicContact CD2-CB 3.87Å; L249-L254 HydrophobicContact CD2-CD1 3.98Å; L249-L254 PolarHBondContact O-N 3.05Å; L249-L255 HydrophobicContact CB-CD2 3.75Å; L249-L255 HydrophobicContact CB-CG 4.11Å; L249-L255 HydrophobicContact CD1-CD2 3.94Å
250K91.8Very high83.3Confident91 Ų9157.5 Ų57.540%0.39631%0.311SS..Hα-helixtrans-60.8-50.3176-74.7-176.7177.2-169.20111.7L246 H247 N252 G253 L255L246-K250 WeakPolarHBondContact O-CG 3.48Å; L246-K250 PolarHBondContact O-N 3.21Å; H247-K250 PolarHBondContact O-N 2.88Å; K250-N252 PolarHBondContact O-N 2.99Å; K250-G253 PolarHBondContact O-N 3.19Å; K250-G253 VanDerWaalsContact O-N 3.11Å; K250-L255 HydrophobicContact CD-CD1 4.37Å; K250-L255 HydrophobicContact CG-CD1 3.43Å; K250-L255 VanDerWaalsContact CG-CD1 3.43Å; K250-L255 HydrophobicContact CG-CG 4.38Å
251R90.9Very high80.7Confident184 Ų18462.5 Ų62.569%0.69433%0.334SS*.Hα-helixtrans-59.5-32.2-178.8-178.6177.7175.1-177.3-1.7112.5H247 F248H247-R251 WeakPolarHBondContact O-CB 3.45Å; H247-R251 PolarHBondContact O-N 3.26Å; F248-R251 PolarHBondContact O-N 3.47Å
252N89.6Confident78.2Confident51 Ų5167.6 Ų67.627%0.27337%0.365SS..THydrogen-bonded Turntrans-97.52.6-179.3-70.2-75.1000114F248 L249 K250 L254F248-N252 VanDerWaalsContact CD2-ND2 3.32Å; F248-N252 WeakPolarHBondContact CD2-ND2 3.39Å; F248-N252 WeakPolarHBondContact CE2-ND2 3.5Å; F248-N252 WeakPolarHBondContact O-CB 3.33Å; F248-N252 PolarHBondContact O-N 3.44Å; F248-N252 VanDerWaalsContact O-N 3.11Å; F248-N252 PolarHBondContact O-ND2 2.85Å; L249-N252 PolarHBondContact O-N 2.84Å; K250-N252 PolarHBondContact O-N 2.99Å; N252-L254 VanDerWaalsContact C-N 3.32Å; N252-L254 HydrophobicContact CB-CD1 3.75Å; N252-L254 HydrophobicContact CB-CG 3.8Å; N252-L254 PolarHBondContact O-N 3.23Å
253G87.7Confident75.7Confident56 Ų5671.4 Ų71.458%0.57739%0.386SS*.THydrogen-bonded Turntrans67.627.9179.200000114.3L249 K250L249-G253 PolarHBondContact O-N 3.44Å; L249-G253 VanDerWaalsContact O-N 3.09Å; K250-G253 PolarHBondContact O-N 3.19Å; K250-G253 VanDerWaalsContact O-N 3.11Å
254L87.3Confident73.2Confident4 Ų478.7 Ų78.72%0.02141%0.411CS..  trans-90.2-9.7-171-62.5172.8000114.2L4 F35 L36 F248 L249 N252 S256L4-L254 HydrophobicContact CD1-CD2 4.1Å; L4-L254 HydrophobicContact CD2-CD2 4.22Å; F35-L254 HydrophobicContact CZ-CB 4.38Å; F35-L254 HydrophobicContact CZ-CD2 4.27Å; L36-L254 HydrophobicContact CD1-CD1 4.1Å; F248-L254 HydrophobicContact CE1-CD1 3.99Å; L249-L254 HydrophobicContact CB-CB 4.42Å; L249-L254 HydrophobicContact CD2-CB 3.87Å; L249-L254 HydrophobicContact CD2-CD1 3.98Å; L249-L254 PolarHBondContact O-N 3.05Å; N252-L254 VanDerWaalsContact C-N 3.32Å; N252-L254 HydrophobicContact CB-CD1 3.75Å; N252-L254 HydrophobicContact CB-CG 3.8Å; N252-L254 PolarHBondContact O-N 3.23Å; L254-S256 VanDerWaalsContact C-N 3.32Å; L254-S256 PolarHBondContact O-N 3.13Å
255L81.6Confident70.6Confident61 Ų6180.9 Ų80.932%0.31943%0.432SS..THydrogen-bonded Turntrans-70.5-24.7-178.9-66.5-179.1000114.1Q32 L246 L249 K250Q32-L255 HydrophobicContact CB-CD2 3.77Å; L246-L255 HydrophobicContact CD1-CD1 4.21Å; L246-L255 HydrophobicContact CD1-CD2 3.87Å; L249-L255 HydrophobicContact CB-CD2 3.75Å; L249-L255 HydrophobicContact CB-CG 4.11Å; L249-L255 HydrophobicContact CD1-CD2 3.94Å; K250-L255 HydrophobicContact CD-CD1 4.37Å; K250-L255 HydrophobicContact CG-CD1 3.43Å; K250-L255 VanDerWaalsContact CG-CD1 3.43Å; K250-L255 HydrophobicContact CG-CG 4.38Å
256S63.8Low68.2Low102 Ų10286.2 Ų86.271%0.71346%0.46SS*.THydrogen-bonded Turntrans-110.915.3-175.4-49.50000112.7L254 T258L254-S256 VanDerWaalsContact C-N 3.32Å; L254-S256 PolarHBondContact O-N 3.13Å; S256-T258 PolarHBondContact O-N 3.22Å
257Y63Low65.9Low99 Ų9990.8 Ų90.839%0.38848%0.484SS..  trans-68.993.7-178.6-171.1-106.6000110.6L4 F35 G259L4-Y257 HydrophobicContact CD1-CD2 3.48Å; L4-Y257 VanDerWaalsContact CD1-CD2 3.48Å; L4-Y257 HydrophobicContact CD1-CE1 4.48Å; L4-Y257 HydrophobicContact CD1-CE2 3.38Å; L4-Y257 HydrophobicContact CD1-CG 4.1Å; L4-Y257 HydrophobicContact CG-CE2 4.48Å; F35-Y257 HydrophobicContact CD1-CD1 4.23Å; F35-Y257 AromaticContact CD2-CD1 3.81Å; F35-Y257 HydrophobicContact CD2-CD1 3.81Å; F35-Y257 HydrophobicContact CD2-CE1 4.22Å; F35-Y257 HydrophobicContact CE1-CD1 4.08Å; F35-Y257 HydrophobicContact CE1-CG 4.33Å; F35-Y257 AromaticContact CE2-CD1 3.64Å; F35-Y257 HydrophobicContact CE2-CD1 3.64Å; F35-Y257 HydrophobicContact CE2-CE1 4.23Å; F35-Y257 HydrophobicContact CE2-CG 4.19Å; F35-Y257 HydrophobicContact CG-CD1 4.11Å; F35-Y257 AromaticContact CZ-CD1 3.78Å; F35-Y257 HydrophobicContact CZ-CD1 3.78Å; F35-Y257 AromaticContact CZ-CG 3.96Å; F35-Y257 HydrophobicContact CZ-CG 3.96Å; Y257-G259 PolarHBondContact O-N 3.34Å
258T51.4Low63.6Low128 Ų12889.1 Ų89.179%0.78548%0.484SS*.  trans-88.878.6168.1430000107.8S256S256-T258 PolarHBondContact O-N 3.22Å
259G49.5Very low61Low25 Ų2594.6 Ų94.626%0.25851%0.508SS..  trans-57.5165165.900000111.2Y257 Q261Y257-G259 PolarHBondContact O-N 3.34Å; G259-Q261 PolarHBondContact O-N 2.87Å
260P43.6Very low58.6Low121 Ų121102.1 Ų102.179%0.78654%0.536SS*.SBendtrans-53.4119.4-176.4-19.829.5000110.6T262P260-T262 PolarHBondContact O-N 3.34Å; P260-T262 PolarHBondContact O-OG1 3.36Å
261Q41.1Very low56.3Low189 Ų189104.9 Ų104.988%0.88355%0.551SS**SBendtrans-55.694.4-173-71.2163.5-1.200111.7G259G259-Q261 PolarHBondContact O-N 2.87Å
262T42.8Very low54Low107 Ų107102.5 Ų102.566%0.65655%0.548SS*.SBendtrans-132.8-27.6171.2-31.50000113.1P260P260-T262 PolarHBondContact O-N 3.34Å; P260-T262 PolarHBondContact O-OG1 3.36Å
263D45.5Very low51.6Low86 Ų86109.7 Ų109.746%0.4657%0.571SS.*SBendtrans-98.8-14.1-171.6-75.4-26.7000116.3A265 L266D263-A265 PolarHBondContact O-N 3.1Å; D263-A265 VanDerWaalsContact O-N 3.16Å; D263-L266 PolarHBondContact O-N 2.81Å
264R42.5Very low49.2Very low234 Ų234115.3 Ų115.388%0.88358%0.58SS**Hα-helixtrans-64.1-23.8179-158.5174.3-176.7177.11.5112.4
265A39.7Very low46.7Very low65 Ų65118.9 Ų118.954%0.53761%0.61SS.*Hα-helixtrans-77.3-21.4176.200000113.8D263 K269D263-A265 PolarHBondContact O-N 3.1Å; D263-A265 VanDerWaalsContact O-N 3.16Å; A265-K269 PolarHBondContact O-N 2.88Å
266L46.7Very low44.3Very low112 Ų112121.3 Ų121.359%0.58663%0.63SS**Hα-helixtrans-83.5-32.5-178.5-74.7170.3000112.6D263 R270D263-L266 PolarHBondContact O-N 2.81Å; L266-R270 PolarHBondContact O-N 3.25Å
267L45.4Very low42.9Very low101 Ų101123.7 Ų123.753%0.52964%0.635SS.*Hα-helixtrans-69.4-43.7173.8-83.2163.8000111.8K269 R270 E271L267-K269 VanDerWaalsContact C-N 3.35Å; L267-K269 PolarHBondContact O-N 3.43Å; L267-R270 WeakPolarHBondContact O-CB 3.4Å; L267-R270 PolarHBondContact O-N 3.47Å; L267-E271 PolarHBondContact O-N 3.29Å
268A43.9Very low41.4Very low47 Ų47128.1 Ų128.139%0.38866%0.659SS.*Hα-helixtrans-61.1-41.4175.700000112.3R270 E271 E272A268-R270 PolarHBondContact O-N 2.93Å; A268-E271 PolarHBondContact O-N 2.91Å; A268-E272 PolarHBondContact O-N 3.42Å; A268-E272 VanDerWaalsContact O-N 3.14Å
269K39.7Very low40.4Very low124 Ų124126 Ų12654%0.53966%0.662SS.*Hα-helixtrans-65.7-20.4175-91.6-179.8174.4174.70114.3A265 L267 R273A265-K269 PolarHBondContact O-N 2.88Å; L267-K269 VanDerWaalsContact C-N 3.35Å; L267-K269 PolarHBondContact O-N 3.43Å; K269-R273 WeakPolarHBondContact O-CG 3.4Å; K269-R273 PolarHBondContact O-N 2.85Å
270R43.5Very low39.4Very low157 Ų157137 Ų13759%0.59270%0.696SS**Hα-helixtrans-84.6-28.7178.1-163.8177.1-172.1-179.92.8112L266 L267 A268L266-R270 PolarHBondContact O-N 3.25Å; L267-R270 WeakPolarHBondContact O-CB 3.4Å; L267-R270 PolarHBondContact O-N 3.47Å; A268-R270 PolarHBondContact O-N 2.93Å
271E43.8Very low38.7Very low150 Ų150136 Ų13670%0.70170%0.698SS**Hα-helixtrans-76.7-40174.6-67.6-176162.200111.2L267 A268 R273 K274L267-E271 PolarHBondContact O-N 3.29Å; A268-E271 PolarHBondContact O-N 2.91Å; E271-R273 PolarHBondContact O-N 3.09Å; E271-K274 PolarHBondContact O-N 3.17Å
272E42.6Very low38.1Very low133 Ų133135.2 Ų135.262%0.62170%0.695SS**Hα-helixtrans-65.2-34.9176.1-71.4178.717200113A268 K274 A275A268-E272 PolarHBondContact O-N 3.42Å; A268-E272 VanDerWaalsContact O-N 3.14Å; E272-K274 VanDerWaalsContact C-N 3.28Å; E272-K274 PolarHBondContact O-N 3.28Å; E272-A275 PolarHBondContact O-N 2.97Å
273R38Very low37.5Very low202 Ų202138.7 Ų138.776%0.76270%0.701SS**THydrogen-bonded Turntrans-71.7-17.9177.8-74.9-179.4-165.5-137.32114.3K269 E271K269-R273 WeakPolarHBondContact O-CG 3.4Å; K269-R273 PolarHBondContact O-N 2.85Å; E271-R273 PolarHBondContact O-N 3.09Å
274K37.2Very low36.6Very low175 Ų175141.8 Ų141.876%0.76172%0.717SS**THydrogen-bonded Turntrans-88-11.4175.3-76.2-173.1174.3-172.80113.1E271 E272E271-K274 PolarHBondContact O-N 3.17Å; E272-K274 VanDerWaalsContact C-N 3.28Å; E272-K274 PolarHBondContact O-N 3.28Å
275A35Very low35.9Very low79 Ų79140.7 Ų140.765%0.65372%0.719SS**SBendtrans-97.9-1.9-178.400000114E272E272-A275 PolarHBondContact O-N 2.97Å
276C31.7Very low35.2Very low112 Ų112142 Ų14276%0.75773%0.729SS**SBendtrans-101.415.9-175.2-73.50000115.6
277D33.8Very low34.3Very low152 Ų152145.6 Ų145.681%0.81374%0.743SS**SBendtrans-13045.4-179.9-150.720.8000113.4
278E32.4Very low33.4Very low192 Ų192150 Ų15090%0.89776%0.761SS**SBendtrans-148120.9154.6-71.5-162.6170.900111
279G29.8Very low32.5Very low82 Ų82156.1 Ų156.185%0.84578%0.779SS**  trans86.490.3145.800000118.9
280R29.3Very low32.1Very low258 Ų258156.4 Ų156.497%0.97479%0.793SS**  trans-78.6117.9159.5-176.2-176.7-170.4-165.42.9110.1
281A29Very low31.2Very low100 Ų100156.7 Ų156.783%0.82680%0.801SS**  trans-168.5143.9148.100000112.4
282E28.8Very low30.4Very low172 Ų172156 Ų15680%0.80481%0.807SS**  trans-74.7150.8-163.4-51.8171.814800116.7
283K29.1Very low29.5Very low180 Ų180157.9 Ų157.978%0.78382%0.816SS**  167.2124.7102.4-99.6173.2179.6172.20114.6
284N26.3Very low28.8Very low151 Ų151153 Ų15381%0.80782%0.818SS**  trans11.4129.7147.4-53.9-17.1000121.4
285K27.4Very low28.1Very low210 Ų210154.4 Ų154.491%0.91383%0.825SS**  -175.3150.299.1-98.3-175.9179.2-173.20112.1
286A26.2Very low27.6Very low92 Ų92156.6 Ų156.676%0.7683%0.83SS**  trans-74.7156.9-175.300000114
287E26.6Very low27.3Very low188 Ų188159.7 Ų159.788%0.87983%0.833SS**  178.3169.4121.7-97.6169.9-165.400112.1
288E26.4Very low27.3Very low193 Ų193160 Ų16090%0.90283%0.834SS**  trans-87.3164.4-141.3-64.7167.9135.500117.6
289K25.8Very low27.2Very low176 Ų176159.6 Ų159.677%0.76583%0.831SS**  trans-67163.8166.8-104.3-179.9-173.4-177.80111.4
290P32.4Very low27Very low130 Ų130159.1 Ų159.184%0.84482%0.819SS**  -149.5167.266.935.4-12.2000118.7
291Q23.3Very low27.1Very low163 Ų163151.8 Ų151.876%0.76281%0.808SS**  trans-71.2149.4174-63.4168.4-41.800112.4
292V26.8Very low27.3Very low135 Ų135152.4 Ų152.482%0.81881%0.806SS**  trans-149121.2141.5-177.20000111
293E24.3Very low27.4Very low174 Ų174148.3 Ų148.381%0.81380%0.796SS**  trans11.5124143.6-62.5172.8170.300119.5
294A24Very low27.5Very low98 Ų98145.8 Ų145.881%0.8179%0.791SS**  88.7127.770.100000115.3
295K22.6Very low28.1Very low205 Ų205143.7 Ų143.789%0.89178%0.78SS**  trans94.1145.8156.6-125172-172.7178.30118.1
296V24Very low28.6Very low125 Ų125140.7 Ų140.776%0.75877%0.769SS**  trans86115.6179.8-163.60000111.3
297E25.6Very low29.2Very low178 Ų178143.8 Ų143.883%0.83277%0.767SS**  cis-157.2128.424.6-136.9156.7-170.400109.7H299E297-H299 PolarHBondContact O-N 2.95Å
298L34.1Very low30.1Very low157 Ų157140 Ų14082%0.82276%0.757SS**  trans-7799.5168.9-179.594.6000106.6
299H28.8Very low31.4Very low184 Ų184132.5 Ų132.585%0.85272%0.723SS**  trans16569.1158.2-90.2-67.5000110.3E297E297-H299 PolarHBondContact O-N 2.95Å
300A27.1Very low32.8Very low72 Ų72128.7 Ų128.760%0.59571%0.708SS**  trans-154.827172.900000114.8
301S29.7Very low34.5Very low104 Ų104129.6 Ų129.673%0.72770%0.696SS**  trans-106.69-173.4650000115.6
302S33.7Very low37.5Very low113 Ų113122.2 Ų122.279%0.7966%0.661SS**SBendtrans-104.1-14.2-177.665.40000115.3
303S30.5Very low40.4Very low86 Ų86116.7 Ų116.760%0.60163%0.628SS**SBendtrans-111.4-16.3-174.456.30000115.1
304L31.9Very low43.4Very low127 Ų127113.5 Ų113.567%0.66562%0.622SS**SBendtrans-84.8-17.4177.1-81.8161.4000113.5
305D38.5Very low46.5Very low108 Ų108112 Ų11258%0.57861%0.61SS**Hα-helixtrans-77.6-19.4-176.9-94.2-7.9000114I309D305-I309 WeakPolarHBondContact O-CD1 3.49Å; D305-I309 WeakPolarHBondContact O-CG1 3.37Å
306E38.7Very low49.8Very low146 Ų146102.6 Ų102.668%0.68257%0.57SS**Hα-helixtrans-76.6-23.5-177.9-104.1178.7167.600114.1
307H38.7Very low53Low157 Ų15799.4 Ų99.473%0.72755%0.547SS*.Hα-helixtrans-95.9-20.5-176.7-67.2-53.1000114.7I309H307-I309 VanDerWaalsContact C-N 3.29Å
308T46.1Very low56.1Low109 Ų10997.2 Ų97.267%0.66953%0.534SS*.Hα-helixtrans-78.7-17.1175.7-50.60000112.3E310T308-E310 PolarHBondContact O-N 3.4Å
309I52.2Low58.9Low36 Ų3690.3 Ų90.319%0.18550%0.5CS..THydrogen-bonded Turntrans-81.9-3.2-169.3-80174.6000114.5L246 D305 H307 Y311L246-I309 HydrophobicContact CD2-CB 4.14Å; L246-I309 HydrophobicContact CD2-CD1 4.06Å; L246-I309 HydrophobicContact CD2-CG1 4.08Å; L246-I309 HydrophobicContact CD2-CG2 3.08Å; D305-I309 WeakPolarHBondContact O-CD1 3.49Å; D305-I309 WeakPolarHBondContact O-CG1 3.37Å; H307-I309 VanDerWaalsContact C-N 3.29Å; I309-Y311 VanDerWaalsContact C-N 3.32Å; I309-Y311 PolarHBondContact O-N 3.47Å
310E55.3Low61.8Low96 Ų9681.6 Ų81.645%0.44946%0.46SS..THydrogen-bonded Turntrans-83.6-1.5-172.6-131.8-151.3128.300115.9K239 K243 T308K239-E310 WeakPolarHBondContact CE-O 3.39Å; K239-E310 PolarHBondContact NZ-O 3.37Å; K239-E310 IonicContact NZ-OE1 2.79Å; K239-E310 PolarHBondContact NZ-OE1 3.27Å; K243-E310 IonicContact NZ-OE1 3.89Å; T308-E310 PolarHBondContact O-N 3.4Å
311Y69.2Low64.9Low149 Ų14981.1 Ų81.158%0.58445%0.447SS*.SBendtrans-120.1136.5-169.9-55.7-78.7000111.8I309I309-Y311 VanDerWaalsContact C-N 3.32Å; I309-Y311 PolarHBondContact O-N 3.47Å
312L85.1Confident67.7Low7 Ų781.6 Ų81.64%0.03744%0.437CS..  trans-58.9152.7166.1-78158000109.6C238 K239 Y242 V316 H317 L320C238-L312 HydrophobicContact CB-CD1 4.37Å; K239-L312 HydrophobicContact CB-CD1 4.04Å; K239-L312 HydrophobicContact CB-CG 4.3Å; Y242-L312 HydrophobicContact CD2-CD2 4.2Å; Y242-L312 HydrophobicContact CG-CD2 4.3Å; L312-V316 HydrophobicContact CD2-CG1 4.38Å; L312-H317 HydrophobicContact CB-CB 4.14Å; L312-L320 HydrophobicContact CD1-CD1 4.2Å
313P89Confident70.3Confident19 Ų1977.2 Ų77.212%0.12341%0.408CS..  trans-50139.1174.6-25.330.3000111E31 Y242 A315 V316 H317E31-P313 WeakPolarHBondContact OE2-CG 3.36Å; Y242-P313 HydrophobicContact CE2-CG 4.07Å; P313-A315 VanDerWaalsContact C-N 3.25Å; P313-A315 PolarHBondContact O-N 3.19Å; P313-A315 VanDerWaalsContact O-N 3.12Å; P313-V316 HydrophobicContact CB-CB 4.46Å; P313-V316 HydrophobicContact CB-CG2 4.25Å; P313-V316 HydrophobicContact CG-CG2 4.38Å; P313-V316 PolarHBondContact O-N 2.98Å; P313-H317 PolarHBondContact O-N 3.47Å
314P87.7Confident73Confident107 Ų10773.7 Ų73.770%0.69538%0.383SS*.Hα-helixtrans-53.8-40.1-172.7-28.934.7000113.8H317 K318P314-H317 PolarHBondContact O-N 2.84Å; P314-K318 WeakPolarHBondContact O-CB 3.41Å; P314-K318 PolarHBondContact O-N 3.44Å
315A88.6Confident75.5Confident66 Ų6673.7 Ų73.755%0.54538%0.384SS..Hα-helixtrans-62-45.5177.700000112.3P313 A319P313-A315 VanDerWaalsContact C-N 3.25Å; P313-A315 PolarHBondContact O-N 3.19Å; P313-A315 VanDerWaalsContact O-N 3.12Å; A315-A319 WeakPolarHBondContact O-CB 3.43Å; A315-A319 PolarHBondContact O-N 3Å
316V90.8Very high76.8Confident9 Ų973 Ų736%0.05538%0.377CS..Hα-helixtrans-69.1-45.5178179.50000110I23 L62 L312 P313 K318 A319 L320I23-V316 HydrophobicContact CG2-CG1 4.34Å; L62-V316 HydrophobicContact CB-CG2 4.38Å; L312-V316 HydrophobicContact CD2-CG1 4.38Å; P313-V316 HydrophobicContact CB-CB 4.46Å; P313-V316 HydrophobicContact CB-CG2 4.25Å; P313-V316 HydrophobicContact CG-CG2 4.38Å; P313-V316 PolarHBondContact O-N 2.98Å; V316-K318 VanDerWaalsContact C-N 3.34Å; V316-K318 PolarHBondContact O-N 3.26Å; V316-A319 PolarHBondContact O-N 2.79Å; V316-L320 HydrophobicContact CG1-CD1 3.76Å; V316-L320 HydrophobicContact CG1-CG 4.18Å; V316-L320 WeakPolarHBondContact O-CB 3.34Å; V316-L320 WeakPolarHBondContact O-CG 3.39Å; V316-L320 PolarHBondContact O-N 2.83Å
317H91.3Very high77.9Confident58 Ų5877.9 Ų77.927%0.26939%0.389SS..Hα-helixtrans-58.5-46.2179.1-170.195.5000112.2K235 L312 P313 P314 L321K235-H317 VanDerWaalsContact CE-CE1 3.49Å; K235-H317 WeakPolarHBondContact CE-CE1 3.4Å; K235-H317 PolarHBondContact NZ-CE1 2.96Å; K235-H317 PolarHBondContact NZ-NE2 3.06Å; K235-H317 VanDerWaalsContact NZ-NE2 3.11Å; L312-H317 HydrophobicContact CB-CB 4.14Å; P313-H317 PolarHBondContact O-N 3.47Å; P314-H317 PolarHBondContact O-N 2.84Å; H317-L321 VanDerWaalsContact CD2-CD1 3.49Å; H317-L321 WeakPolarHBondContact CD2-CD1 3.47Å; H317-L321 VanDerWaalsContact NE2-CD1 3.3Å; H317-L321 WeakPolarHBondContact NE2-CD1 3.36Å; H317-L321 WeakPolarHBondContact O-CB 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.32Å; H317-L321 PolarHBondContact O-N 2.8Å
318K91.9Very high78.5Confident131 Ų13180.2 Ų80.257%0.5739%0.391SS*.Hα-helixtrans-63.8-51.9178.7-178.7179.6173.5-177.20111.1P314 V316 L320 L321 E322P314-K318 WeakPolarHBondContact O-CB 3.41Å; P314-K318 PolarHBondContact O-N 3.44Å; V316-K318 VanDerWaalsContact C-N 3.34Å; V316-K318 PolarHBondContact O-N 3.26Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 2.89Å; K318-L321 PolarHBondContact O-N 3.08Å; K318-L321 VanDerWaalsContact O-N 3.12Å; K318-E322 WeakPolarHBondContact CE-OE1 3.24Å; K318-E322 WeakPolarHBondContact CG-OE1 3.45Å; K318-E322 IonicContact NZ-OE1 2.74Å; K318-E322 WeakPolarHBondContact O-CG 3.19Å; K318-E322 PolarHBondContact O-N 3.49Å
319A91.7Very high79.1Confident13 Ų1377.8 Ų77.811%0.10738%0.379CS..Hα-helixtrans-58.9-41.8179.600000112G63 A315 V316 A323G63-A319 WeakPolarHBondContact O-CB 3.22Å; A315-A319 WeakPolarHBondContact O-CB 3.43Å; A315-A319 PolarHBondContact O-N 3Å; V316-A319 PolarHBondContact O-N 2.79Å; A319-A323 WeakPolarHBondContact O-CB 3.4Å; A319-A323 PolarHBondContact O-N 2.87Å
320L91.2Very high79.4Confident0 Ų083 Ų830%041%0.406CS..Hα-helixtrans-68.7-37.8176.3-66178.6000112.6I20 I70 K235 C238 L312 V316 K318 A323 C324I20-L320 HydrophobicContact CD1-CD2 3.75Å; I70-L320 HydrophobicContact CD1-CB 4.32Å; I70-L320 HydrophobicContact CD1-CD2 3.55Å; I70-L320 HydrophobicContact CG1-CD2 4.44Å; K235-L320 HydrophobicContact CG-CB 4.41Å; C238-L320 HydrophobicContact CB-CD1 3.85Å; C238-L320 VanDerWaalsContact SG-CD1 3.58Å; L312-L320 HydrophobicContact CD1-CD1 4.2Å; V316-L320 HydrophobicContact CG1-CD1 3.76Å; V316-L320 HydrophobicContact CG1-CG 4.18Å; V316-L320 WeakPolarHBondContact O-CB 3.34Å; V316-L320 WeakPolarHBondContact O-CG 3.39Å; V316-L320 PolarHBondContact O-N 2.83Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 2.89Å; L320-A323 PolarHBondContact O-N 3.22Å; L320-C324 VanDerWaalsContact O-CB 3.27Å; L320-C324 WeakPolarHBondContact O-CB 3.11Å; L320-C324 PolarHBondContact O-N 2.97Å; L320-C324 PolarHBondContact O-SG 2.85Å
321L90.5Very high79.6Confident62 Ų6283.9 Ų83.933%0.32542%0.418SS..Hα-helixtrans-63.3-49.2174.5-88.9-177.2000111.5K235 H317 K318 A323 C324 L325K235-L321 HydrophobicContact CD-CD2 4.15Å; H317-L321 VanDerWaalsContact CD2-CD1 3.49Å; H317-L321 WeakPolarHBondContact CD2-CD1 3.47Å; H317-L321 VanDerWaalsContact NE2-CD1 3.3Å; H317-L321 WeakPolarHBondContact NE2-CD1 3.36Å; H317-L321 WeakPolarHBondContact O-CB 3.28Å; H317-L321 WeakPolarHBondContact O-CG 3.32Å; H317-L321 PolarHBondContact O-N 2.8Å; K318-L321 PolarHBondContact O-N 3.08Å; K318-L321 VanDerWaalsContact O-N 3.12Å; L321-A323 VanDerWaalsContact C-N 3.3Å; L321-A323 PolarHBondContact O-N 2.94Å; L321-C324 WeakPolarHBondContact O-CB 3.49Å; L321-C324 PolarHBondContact O-N 3.49Å; L321-C324 VanDerWaalsContact O-N 3.07Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 3.47Å
322E90Very high79.2Confident114 Ų11480.5 Ų80.553%0.53341%0.408SS..Hα-helixtrans-59.9-42.8176.9-71.8176.8-175.900111.1K318 C324 L325K318-E322 WeakPolarHBondContact CE-OE1 3.24Å; K318-E322 WeakPolarHBondContact CG-OE1 3.45Å; K318-E322 IonicContact NZ-OE1 2.74Å; K318-E322 WeakPolarHBondContact O-CG 3.19Å; K318-E322 PolarHBondContact O-N 3.49Å; E322-C324 VanDerWaalsContact C-N 3.31Å; E322-C324 PolarHBondContact O-N 3.18Å; E322-L325 PolarHBondContact O-N 3.01Å
323A88.3Confident78Confident21 Ų2183.4 Ų83.417%0.17443%0.428CS..Hα-helixtrans-66.7-30.7174.500000112.8A67 I70 K74 A319 L320 L321A67-A323 HydrophobicContact CB-CB 3.69Å; I70-A323 HydrophobicContact CB-CB 4.04Å; I70-A323 HydrophobicContact CD1-CB 4.17Å; I70-A323 HydrophobicContact CG2-CB 3.95Å; I70-A323 VanDerWaalsContact CG2-O 3.32Å; I70-A323 WeakPolarHBondContact CG2-O 3.36Å; K74-A323 WeakPolarHBondContact CE-O 3.44Å; K74-A323 PolarHBondContact NZ-O 3.02Å; A319-A323 WeakPolarHBondContact O-CB 3.4Å; A319-A323 PolarHBondContact O-N 2.87Å; L320-A323 PolarHBondContact O-N 3.22Å; L321-A323 VanDerWaalsContact C-N 3.3Å; L321-A323 PolarHBondContact O-N 2.94Å
324C87.1Confident76.7Confident12 Ų1287 Ų878%0.08145%0.446CS..Hα-helixtrans-71.6-39.2174.4-80.70000112K74 P231 M232 L320 L321 E322 E326K74-C324 PolarHBondContact NZ-O 3.27Å; P231-C324 HydrophobicContact CB-CB 4.29Å; P231-C324 PolarHBondContact O-SG 3.03Å; M232-C324 HydrophobicContact SD-CB 3.85Å; L320-C324 VanDerWaalsContact O-CB 3.27Å; L320-C324 WeakPolarHBondContact O-CB 3.11Å; L320-C324 PolarHBondContact O-N 2.97Å; L320-C324 PolarHBondContact O-SG 2.85Å; L321-C324 WeakPolarHBondContact O-CB 3.49Å; L321-C324 PolarHBondContact O-N 3.49Å; L321-C324 VanDerWaalsContact O-N 3.07Å; E322-C324 VanDerWaalsContact C-N 3.31Å; E322-C324 PolarHBondContact O-N 3.18Å; C324-E326 PolarHBondContact O-N 2.94Å
325L84.6Confident75.5Confident128 Ų12883.3 Ų83.367%0.6743%0.427SS*.SBendtrans-56.5112.8178.3-69.8173.1000109.4K74 L321 E322 R327K74-L325 PolarHBondContact NZ-O 3.41Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 3.47Å; E322-L325 PolarHBondContact O-N 3.01Å; L325-R327 PolarHBondContact O-N 3.36Å
326E65.9Low74.4Confident94 Ų9484 Ų8444%0.43942%0.422SS..  trans-70.8122.7168.3-72.3-179.816900107.1C324 R328C324-E326 PolarHBondContact O-N 2.94Å; E326-R328 PolarHBondContact O-N 3.45Å
327R60.5Low73.7Confident247 Ų24788 Ų8893%0.93244%0.443SS*.  trans-63.889.3156.8-72.8-171.5-177.2-163.41.7105.6L325 S329L325-R327 PolarHBondContact O-N 3.36Å; R327-S329 VanDerWaalsContact C-N 3.31Å; R327-S329 PolarHBondContact O-N 3.29Å
328R52.1Low72.7Confident207 Ų20791.5 Ų91.578%0.78146%0.462SS*.  trans-59.697.1177-76.5-176.2177.2178.30.4107.4E326E326-R328 PolarHBondContact O-N 3.45Å
329S59Low72Confident58 Ų5889.8 Ų89.841%0.40647%0.465SS..  trans-70.4138.5163.671.70000107R327 V331 Q332 S333R327-S329 VanDerWaalsContact C-N 3.31Å; R327-S329 PolarHBondContact O-N 3.29Å; S329-V331 PolarHBondContact O-N 3.12Å; S329-V331 VanDerWaalsContact O-N 3.09Å; S329-Q332 PolarHBondContact O-N 3.06Å; S329-Q332 WeakPolarHBondContact OG-CB 3.4Å; S329-Q332 PolarHBondContact OG-N 3.34Å; S329-S333 PolarHBondContact O-N 2.82Å
330L57.4Low71.2Confident145 Ų14595.3 Ų95.376%0.75949%0.487SS*.Hα-helixtrans-52.6-34.2178-67170.6000111.2S333 L334L330-S333 WeakPolarHBondContact O-CB 3.19Å; L330-S333 PolarHBondContact O-N 3.04Å; L330-L334 WeakPolarHBondContact O-CD1 3.49Å; L330-L334 PolarHBondContact O-N 2.94Å
331V59.4Low70.4Confident115 Ų115102.2 Ų102.270%0.69751%0.513SS*.Hα-helixtrans-60.6-43.8175.9-176.30000112.6S329 S333 L334 G335S329-V331 PolarHBondContact O-N 3.12Å; S329-V331 VanDerWaalsContact O-N 3.09Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-L334 PolarHBondContact O-N 3.28Å; V331-G335 PolarHBondContact O-N 3.41Å
332Q61.3Low69.8Low78 Ų78104.7 Ų104.736%0.36452%0.524SS..Hα-helixtrans-73.2-28.9178.8-163.9169.24.600111.9S329 N336S329-Q332 PolarHBondContact O-N 3.06Å; S329-Q332 WeakPolarHBondContact OG-CB 3.4Å; S329-Q332 PolarHBondContact OG-N 3.34Å; Q332-N336 PolarHBondContact O-N 2.97Å; Q332-N336 PolarHBondContact O-ND2 2.95Å
333S60.2Low69.3Low67 Ų67101.6 Ų101.647%0.46952%0.518SS..Hα-helixtrans-68.2-41.2172.1-163.50000112S329 L330 V331S329-S333 PolarHBondContact O-N 2.82Å; L330-S333 WeakPolarHBondContact O-CB 3.19Å; L330-S333 PolarHBondContact O-N 3.04Å; V331-S333 VanDerWaalsContact C-N 3.33Å
334L62.5Low68.6Low95 Ų95103.9 Ų103.950%0.49753%0.532SS..Hα-helixtrans-68.8-41.3176-78.7153.1000112.1L330 V331 N336 L337L330-L334 WeakPolarHBondContact O-CD1 3.49Å; L330-L334 PolarHBondContact O-N 2.94Å; V331-L334 PolarHBondContact O-N 3.28Å; L334-N336 PolarHBondContact O-N 3.41Å; L334-L337 HydrophobicContact CD2-CD1 4.15Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 WeakPolarHBondContact O-CG 3.38Å; L334-L337 PolarHBondContact O-N 2.85Å; L334-L337 VanDerWaalsContact O-N 3.15Å
335G62.2Low68.2Low29 Ų29105.7 Ų105.730%0.29955%0.549SS..Hα-helixtrans-65.9-18.9177.700000114.7V331 R341V331-G335 PolarHBondContact O-N 3.41Å; G335-R341 WeakPolarHBondContact O-CG 3.41Å
336N64Low68.1Low80 Ų80105.6 Ų105.643%0.42855%0.548SS..THydrogen-bonded Turntrans-84.9-7176.2-78.6-35000113.9Q332 L334 R341Q332-N336 PolarHBondContact O-N 2.97Å; Q332-N336 PolarHBondContact O-ND2 2.95Å; L334-N336 PolarHBondContact O-N 3.41Å; N336-R341 PolarHBondContact OD1-NH2 3.24Å
337L76.5Confident68.9Low95 Ų95106.1 Ų106.150%0.49755%0.552SS.*SBendtrans-68.5142173.9-63.6172.1000110.3L334 P339 F340 R341L334-L337 HydrophobicContact CD2-CD1 4.15Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 WeakPolarHBondContact O-CG 3.38Å; L334-L337 PolarHBondContact O-N 2.85Å; L334-L337 VanDerWaalsContact O-N 3.15Å; L337-P339 VanDerWaalsContact C-CD 3.45Å; L337-F340 PolarHBondContact O-N 3.32Å; L337-R341 PolarHBondContact O-N 3.06Å
338L70.8Confident69.8Low130 Ų13096.5 Ų96.568%0.68152%0.519SS*.Hα-helixtrans-54.6-42.3-174.6-154.8132.3000113.6F340 R341 M342L338-F340 PolarHBondContact O-N 3.32Å; L338-R341 PolarHBondContact O-N 2.95Å; L338-M342 HydrophobicContact CD2-CG 4.38Å; L338-M342 HydrophobicContact CD2-SD 3.69Å; L338-M342 WeakPolarHBondContact O-CG 3.21Å; L338-M342 PolarHBondContact O-N 3.41Å
339P77.7Confident71.3Confident96 Ų9690.9 Ų90.962%0.62351%0.509SS*.Hα-helixtrans-63-39.3176.1-21.633.7000113.2L337 M342 A343L337-P339 VanDerWaalsContact C-CD 3.45Å; P339-M342 PolarHBondContact O-N 3.42Å; P339-A343 WeakPolarHBondContact O-CB 3.33Å; P339-A343 PolarHBondContact O-N 3.28Å
340F73.9Confident72.4Confident129 Ų12996.4 Ų96.457%0.56652%0.522SS*.Hα-helixtrans-70.6-37.6179.7-117.9-89.2000111.9L337 L338 S344L337-F340 PolarHBondContact O-N 3.32Å; L338-F340 PolarHBondContact O-N 3.32Å; F340-S344 VanDerWaalsContact O-CB 3.26Å; F340-S344 WeakPolarHBondContact O-CB 3.18Å; F340-S344 PolarHBondContact O-N 2.64Å
341R74.6Confident73.6Confident145 Ų14592 Ų9255%0.54750%0.501SS..Hα-helixtrans-65.8-42.2173.4-72.6-172.9170.6-179.71.4112.2G335 N336 L337 L338 S344 A345G335-R341 WeakPolarHBondContact O-CG 3.41Å; N336-R341 PolarHBondContact OD1-NH2 3.24Å; L337-R341 PolarHBondContact O-N 3.06Å; L338-R341 PolarHBondContact O-N 2.95Å; R341-S344 PolarHBondContact O-N 3.5Å; R341-A345 VanDerWaalsContact O-CB 3.3Å; R341-A345 WeakPolarHBondContact O-CB 3.44Å; R341-A345 PolarHBondContact O-N 3.49Å
342M77.7Confident74.7Confident113 Ų11388.6 Ų88.656%0.55748%0.479SS*.Hα-helixtrans-64.1-46.5175.7-71.9-176.971.500111.3L338 P339 S344 A345 L346L338-M342 HydrophobicContact CD2-CG 4.38Å; L338-M342 HydrophobicContact CD2-SD 3.69Å; L338-M342 WeakPolarHBondContact O-CG 3.21Å; L338-M342 PolarHBondContact O-N 3.41Å; P339-M342 PolarHBondContact O-N 3.42Å; M342-S344 PolarHBondContact O-N 3.41Å; M342-A345 PolarHBondContact O-N 3.22Å; M342-L346 WeakPolarHBondContact O-CB 3.08Å; M342-L346 VanDerWaalsContact O-CG 3.31Å; M342-L346 WeakPolarHBondContact O-CG 3.32Å; M342-L346 PolarHBondContact O-N 3.46Å
343A79Confident75.8Confident49 Ų4988.5 Ų88.541%0.40549%0.485SS..Hα-helixtrans-59.9-45.4175.100000111.7P339 A345 L346 M347P339-A343 WeakPolarHBondContact O-CB 3.33Å; P339-A343 PolarHBondContact O-N 3.28Å; A343-A345 VanDerWaalsContact C-N 3.33Å; A343-A345 PolarHBondContact O-N 3.29Å; A343-L346 PolarHBondContact O-N 3.31Å; A343-M347 WeakPolarHBondContact O-CB 3.27Å; A343-M347 VanDerWaalsContact O-CG 3.24Å; A343-M347 WeakPolarHBondContact O-CG 2.88Å; A343-M347 PolarHBondContact O-N 3.49Å
344S74.9Confident76.9Confident69 Ų6990.9 Ų90.948%0.48349%0.492SS..Hα-helixtrans-63.9-36.2177-175.10000112.8F340 R341 M342 L348F340-S344 VanDerWaalsContact O-CB 3.26Å; F340-S344 WeakPolarHBondContact O-CB 3.18Å; F340-S344 PolarHBondContact O-N 2.64Å; R341-S344 PolarHBondContact O-N 3.5Å; M342-S344 PolarHBondContact O-N 3.41Å; S344-L348 PolarHBondContact O-N 2.86Å; S344-L348 VanDerWaalsContact O-N 3.1Å
345A77.8Confident77.9Confident51 Ų5189.3 Ų89.342%0.42148%0.482SS..Hα-helixtrans-70.3-38.3176.100000112R341 M342 A343 L348R341-A345 VanDerWaalsContact O-CB 3.3Å; R341-A345 WeakPolarHBondContact O-CB 3.44Å; R341-A345 PolarHBondContact O-N 3.49Å; M342-A345 PolarHBondContact O-N 3.22Å; A343-A345 VanDerWaalsContact C-N 3.33Å; A343-A345 PolarHBondContact O-N 3.29Å; A345-L348 WeakPolarHBondContact O-CB 3.49Å; A345-L348 PolarHBondContact O-N 3.35Å
346L83Confident78.8Confident126 Ų12689.7 Ų89.766%0.6648%0.48SS*.Hα-helixtrans-69.1-32.9175.6-73.3167000112.6M342 A343 L348 P349M342-L346 WeakPolarHBondContact O-CB 3.08Å; M342-L346 VanDerWaalsContact O-CG 3.31Å; M342-L346 WeakPolarHBondContact O-CG 3.32Å; M342-L346 PolarHBondContact O-N 3.46Å; A343-L346 PolarHBondContact O-N 3.31Å; L346-L348 VanDerWaalsContact C-N 3.34Å; L346-P349 VanDerWaalsContact O-CD 3.22Å; L346-P349 WeakPolarHBondContact O-CD 3.37Å
347M81.8Confident79.7Confident105 Ų10588.3 Ų88.352%0.51748%0.48SS..Hα-helixtrans-81.5-14.2176.5-66.5-61.8-75.200113.1A343 Y350 T351A343-M347 WeakPolarHBondContact O-CB 3.27Å; A343-M347 VanDerWaalsContact O-CG 3.24Å; A343-M347 WeakPolarHBondContact O-CG 2.88Å; A343-M347 PolarHBondContact O-N 3.49Å; M347-Y350 PolarHBondContact O-N 2.87Å; M347-T351 HydrophobicContact CB-CG2 4.19Å; M347-T351 PolarHBondContact O-N 3.12Å; M347-T351 PolarHBondContact O-OG1 2.93Å
348L80.3Confident80Confident45 Ų4587.4 Ų87.424%0.23648%0.478CS..Hα-helixtrans-52.1-42-178.1-152.489.4000114.1L80 S344 A345 L346 Y350 L352L80-L348 HydrophobicContact CB-CD1 4.4Å; L80-L348 HydrophobicContact CD2-CD1 3.87Å; L80-L348 HydrophobicContact CD2-CD2 3.85Å; L80-L348 HydrophobicContact CD2-CG 4.5Å; S344-L348 PolarHBondContact O-N 2.86Å; S344-L348 VanDerWaalsContact O-N 3.1Å; A345-L348 WeakPolarHBondContact O-CB 3.49Å; A345-L348 PolarHBondContact O-N 3.35Å; L346-L348 VanDerWaalsContact C-N 3.34Å; L348-Y350 PolarHBondContact O-N 2.99Å; L348-Y350 VanDerWaalsContact O-N 3.16Å; L348-L352 WeakPolarHBondContact O-CB 3.3Å; L348-L352 PolarHBondContact O-N 3.42Å
349P82.6Confident80.4Confident88 Ų8881.8 Ų81.857%0.57145%0.45SS*.Hα-helixtrans-62.5-21.8177.8-2133.9000113.7L346 P353L346-P349 VanDerWaalsContact O-CD 3.22Å; L346-P349 WeakPolarHBondContact O-CD 3.37Å; P349-P353 WeakPolarHBondContact O-CD 3.31Å; P349-P353 WeakPolarHBondContact O-CG 3.39Å
350Y81.9Confident80.5Confident175 Ų17582.2 Ų82.269%0.68645%0.446SS*.Hα-helixtrans-100.9-41.5-178.8-56.6-78.1000112.4M347 L348M347-Y350 PolarHBondContact O-N 2.87Å; L348-Y350 PolarHBondContact O-N 2.99Å; L348-Y350 VanDerWaalsContact O-N 3.16Å
351T83.6Confident80.7Confident52 Ų5280 Ų8032%0.31944%0.444SS..Hα-helixtrans-75.5-36.6-179.757.20000111.8M347 L354 E355M347-T351 HydrophobicContact CB-CG2 4.19Å; M347-T351 PolarHBondContact O-N 3.12Å; M347-T351 PolarHBondContact O-OG1 2.93Å; T351-L354 PolarHBondContact O-N 2.75Å; T351-E355 WeakPolarHBondContact O-CB 3.44Å; T351-E355 WeakPolarHBondContact O-CG 3.43Å; T351-E355 PolarHBondContact O-N 3.3Å
352L82.1Confident80.9Confident44 Ų4477.8 Ų77.823%0.2344%0.442CS..Hα-helixtrans-64.2-46.2-176.9-166.4105.8000112.7L81 L348 L354 E355 S356L81-L352 HydrophobicContact CD1-CD1 3.48Å; L81-L352 VanDerWaalsContact CD1-CD1 3.48Å; L81-L352 HydrophobicContact CD1-CD2 4.29Å; L81-L352 HydrophobicContact CD1-CG 4.48Å; L81-L352 HydrophobicContact CG-CD1 4.16Å; L348-L352 WeakPolarHBondContact O-CB 3.3Å; L348-L352 PolarHBondContact O-N 3.42Å; L352-L354 VanDerWaalsContact C-N 3.3Å; L352-L354 PolarHBondContact O-N 3.4Å; L352-E355 PolarHBondContact O-N 3.26Å; L352-S356 WeakPolarHBondContact O-CB 3.46Å; L352-S356 PolarHBondContact O-N 2.93Å; L352-S356 PolarHBondContact O-OG 2.89Å
353P84.2Confident81Confident76 Ų7676 Ų7649%0.49443%0.429SS..Hα-helixtrans-60.7-38.9175.4-24.735.5000112.8P349 S356 A357P349-P353 WeakPolarHBondContact O-CD 3.31Å; P349-P353 WeakPolarHBondContact O-CG 3.39Å; P353-S356 PolarHBondContact O-N 3.34Å; P353-A357 VanDerWaalsContact O-CB 3.29Å; P353-A357 WeakPolarHBondContact O-CB 3.35Å; P353-A357 PolarHBondContact O-N 2.81Å
354L84Confident80.8Confident117 Ų11777.5 Ų77.561%0.61343%0.429SS*.Hα-helixtrans-67-50.1178.2-177.666.7000111.7T351 L352 S356 A357 V358T351-L354 PolarHBondContact O-N 2.75Å; L352-L354 VanDerWaalsContact C-N 3.3Å; L352-L354 PolarHBondContact O-N 3.4Å; L354-S356 VanDerWaalsContact C-N 3.28Å; L354-S356 PolarHBondContact O-N 2.87Å; L354-A357 PolarHBondContact O-N 3.44Å; L354-V358 WeakPolarHBondContact O-CG2 3.45Å; L354-V358 PolarHBondContact O-N 3.07Å
355E82.7Confident80.9Confident61 Ų6179.8 Ų79.829%0.28544%0.436SS..Hα-helixtrans-63.2-36.1176.5-71.7-169.5153.900111.8R79 H85 T351 L352 S359R79-E355 IonicContact CZ-OE1 2.75Å; R79-E355 IonicContact CZ-OE2 2.72Å; R79-E355 IonicContact NH1-OE1 3.98Å; R79-E355 PolarHBondContact NH1-OE1 3.05Å; R79-E355 IonicContact NH1-OE2 3.79Å; R79-E355 PolarHBondContact NH1-OE2 3.12Å; R79-E355 IonicContact NH2-OE1 3.72Å; H85-E355 IonicContact CE1-OE2 2.98Å; H85-E355 PolarHBondContact CE1-OE2 3.39Å; H85-E355 IonicContact NE2-OE2 3.52Å; H85-E355 PolarHBondContact NE2-OE2 3.48Å; H85-E355 VanDerWaalsContact NE2-OE2 3.14Å; T351-E355 WeakPolarHBondContact O-CB 3.44Å; T351-E355 WeakPolarHBondContact O-CG 3.43Å; T351-E355 PolarHBondContact O-N 3.3Å; L352-E355 PolarHBondContact O-N 3.26Å; E355-S359 WeakPolarHBondContact O-CB 3.43Å; E355-S359 PolarHBondContact O-N 2.62Å
356S81.5Confident80.9Confident37 Ų3782.2 Ų82.226%0.25944%0.438SS..Hα-helixtrans-63.4-46.1173.1-58.70000110.8P86 L352 P353 L354 S359 L360P86-S356 WeakPolarHBondContact CG-OG 3.15Å; L352-S356 WeakPolarHBondContact O-CB 3.46Å; L352-S356 PolarHBondContact O-N 2.93Å; L352-S356 PolarHBondContact O-OG 2.89Å; P353-S356 PolarHBondContact O-N 3.34Å; L354-S356 VanDerWaalsContact C-N 3.28Å; L354-S356 PolarHBondContact O-N 2.87Å; S356-S359 PolarHBondContact O-N 3.49Å; S356-L360 WeakPolarHBondContact O-CB 3.01Å; S356-L360 PolarHBondContact O-N 3.17Å
357A82.8Confident80.4Confident51 Ų5179 Ų7942%0.42142%0.417SS..Hα-helixtrans-62.6-47.5178.300000111.3P353 L354 L360 T361P353-A357 VanDerWaalsContact O-CB 3.29Å; P353-A357 WeakPolarHBondContact O-CB 3.35Å; P353-A357 PolarHBondContact O-N 2.81Å; L354-A357 PolarHBondContact O-N 3.44Å; A357-L360 PolarHBondContact O-N 3.39Å; A357-T361 WeakPolarHBondContact O-CG2 3.41Å; A357-T361 PolarHBondContact O-N 2.99Å; A357-T361 PolarHBondContact O-OG1 2.78Å
358V83.4Confident80Confident76 Ų7679.5 Ų79.546%0.46142%0.421SS..Hα-helixtrans-63.5-43.3176.5174.30000111.4L354 L360 T361 L362L354-V358 WeakPolarHBondContact O-CG2 3.45Å; L354-V358 PolarHBondContact O-N 3.07Å; V358-L360 VanDerWaalsContact C-N 3.31Å; V358-L360 PolarHBondContact O-N 2.98Å; V358-T361 WeakPolarHBondContact CA-OG1 3.5Å; V358-T361 PolarHBondContact O-N 2.99Å; V358-T361 PolarHBondContact O-OG1 3.05Å; V358-L362 HydrophobicContact CG1-CD1 4.18Å; V358-L362 WeakPolarHBondContact O-CB 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.32Å; V358-L362 PolarHBondContact O-N 3.34Å
359S79.9Confident79.6Confident13 Ų1382.3 Ų82.39%0.09144%0.443CS..Hα-helixtrans-66.8-35.7177.5-173.90000111.9P86 E355 S356 R363P86-S359 VanDerWaalsContact C-OG 3.32Å; P86-S359 PolarHBondContact O-OG 3.44Å; E355-S359 WeakPolarHBondContact O-CB 3.43Å; E355-S359 PolarHBondContact O-N 2.62Å; S356-S359 PolarHBondContact O-N 3.49Å; S359-R363 WeakPolarHBondContact O-CB 3.44Å; S359-R363 VanDerWaalsContact O-CG 3.23Å; S359-R363 WeakPolarHBondContact O-CG 3.48Å; S359-R363 PolarHBondContact O-N 3.24Å
360L78.6Confident79.3Confident105 Ų10582.3 Ų82.355%0.5544%0.438SS..Hα-helixtrans-67.6-44.5176.2-176.970000110.4S356 A357 V358 L362 R363 L364S356-L360 WeakPolarHBondContact O-CB 3.01Å; S356-L360 PolarHBondContact O-N 3.17Å; A357-L360 PolarHBondContact O-N 3.39Å; V358-L360 VanDerWaalsContact C-N 3.31Å; V358-L360 PolarHBondContact O-N 2.98Å; L360-L362 PolarHBondContact O-N 3.34Å; L360-R363 PolarHBondContact O-N 2.91Å; L360-L364 HydrophobicContact CG-CD1 3.99Å; L360-L364 HydrophobicContact CG-CG 4.44Å; L360-L364 WeakPolarHBondContact O-CB 3.27Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.37Å
361T77.8Confident79.1Confident83 Ų8375.3 Ų75.351%0.50941%0.413SS..Hα-helixtrans-64-40.9177.7540000111.9A357 V358 L364 L365A357-T361 WeakPolarHBondContact O-CG2 3.41Å; A357-T361 PolarHBondContact O-N 2.99Å; A357-T361 PolarHBondContact O-OG1 2.78Å; V358-T361 WeakPolarHBondContact CA-OG1 3.5Å; V358-T361 PolarHBondContact O-N 2.99Å; V358-T361 PolarHBondContact O-OG1 3.05Å; T361-L364 PolarHBondContact O-N 3.01Å; T361-L365 WeakPolarHBondContact O-CB 3.37Å; T361-L365 PolarHBondContact O-N 2.98Å
362L80.5Confident78.5Confident97 Ų9780.9 Ų80.951%0.50844%0.436SS..Hα-helixtrans-63.7-43174.3-71.3174.5000112V358 L360 L364 L365 E366V358-L362 HydrophobicContact CG1-CD1 4.18Å; V358-L362 WeakPolarHBondContact O-CB 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.32Å; V358-L362 PolarHBondContact O-N 3.34Å; L360-L362 PolarHBondContact O-N 3.34Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L365 PolarHBondContact O-N 3.05Å; L362-E366 WeakPolarHBondContact O-CG 3.28Å; L362-E366 PolarHBondContact O-N 3.14Å
363R78.8Confident78.2Confident77 Ų7785.7 Ų85.729%0.29146%0.457SS..Hα-helixtrans-64-39.5175.2-74.9175.7-176.7-141.7-0.9111.9P86 F88 S359 L360 L365 E366 W367P86-R363 VanDerWaalsContact O-CZ 3.27Å; P86-R363 PolarHBondContact O-NE 2.91Å; P86-R363 PolarHBondContact O-NH2 2.99Å; F88-R363 PolarHBondContact O-NH2 3.45Å; S359-R363 WeakPolarHBondContact O-CB 3.44Å; S359-R363 VanDerWaalsContact O-CG 3.23Å; S359-R363 WeakPolarHBondContact O-CG 3.48Å; S359-R363 PolarHBondContact O-N 3.24Å; L360-R363 PolarHBondContact O-N 2.91Å; R363-L365 VanDerWaalsContact C-N 3.34Å; R363-E366 PolarHBondContact O-N 3.39Å; R363-W367 WeakPolarHBondContact O-CB 3.2Å; R363-W367 PolarHBondContact O-N 2.95Å
364L75.9Confident78.1Confident79 Ų7982.8 Ų82.841%0.41444%0.437SS..Hα-helixtrans-64.7-38.7174.9-75.4167.8000111.5L360 T361 L362 W367 L368L360-L364 HydrophobicContact CG-CD1 3.99Å; L360-L364 HydrophobicContact CG-CG 4.44Å; L360-L364 WeakPolarHBondContact O-CB 3.27Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.37Å; T361-L364 PolarHBondContact O-N 3.01Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L364-W367 HydrophobicContact CD2-CE3 3.88Å; L364-W367 HydrophobicContact CD2-CZ3 4.18Å; L364-W367 PolarHBondContact O-N 3.27Å; L364-L368 PolarHBondContact O-N 2.81Å
365L76.7Confident77.9Confident117 Ų11780.7 Ų80.761%0.61343%0.429SS*.Hα-helixtrans-69.4-41.1176.8-172.165.8000111.9T361 L362 R363 W367 L368T361-L365 WeakPolarHBondContact O-CB 3.37Å; T361-L365 PolarHBondContact O-N 2.98Å; L362-L365 PolarHBondContact O-N 3.05Å; R363-L365 VanDerWaalsContact C-N 3.34Å; L365-W367 VanDerWaalsContact C-N 3.25Å; L365-W367 PolarHBondContact O-N 3.15Å; L365-L368 HydrophobicContact CD1-CD2 4.47Å; L365-L368 VanDerWaalsContact O-CB 3.3Å; L365-L368 WeakPolarHBondContact O-CB 3.47Å; L365-L368 PolarHBondContact O-N 2.86Å
366E76.8Confident77.7Confident102 Ų10279.3 Ų79.348%0.47743%0.431SS..Hα-helixtrans-64.2-31.7172.3-74.4-17817100111.9K92 L362 R363 P369K92-E366 IonicContact NZ-OE1 3.86Å; K92-E366 PolarHBondContact NZ-OE1 2.98Å; L362-E366 WeakPolarHBondContact O-CG 3.28Å; L362-E366 PolarHBondContact O-N 3.14Å; R363-E366 PolarHBondContact O-N 3.39Å; E366-P369 WeakPolarHBondContact O-CD 3.18Å
367W72.6Confident77.7Confident59 Ų5979.7 Ų79.722%0.22343%0.427CS..Hα-helixtrans-80.6-21.9178.4179.352.9000113.8I155 R363 L364 L365 P369 D370 V371 D374 V375I155-W367 HydrophobicContact CD1-CD2 4.19Å; I155-W367 HydrophobicContact CD1-CZ2 3.73Å; R363-W367 WeakPolarHBondContact O-CB 3.2Å; R363-W367 PolarHBondContact O-N 2.95Å; L364-W367 HydrophobicContact CD2-CE3 3.88Å; L364-W367 HydrophobicContact CD2-CZ3 4.18Å; L364-W367 PolarHBondContact O-N 3.27Å; L365-W367 VanDerWaalsContact C-N 3.25Å; L365-W367 PolarHBondContact O-N 3.15Å; W367-P369 VanDerWaalsContact C-N 3.3Å; W367-P369 VanDerWaalsContact O-N 3.08Å; W367-D370 PolarHBondContact O-N 3.33Å; W367-V371 HydrophobicContact CD2-CG2 3.64Å; W367-V371 HydrophobicContact CE3-CG2 3.54Å; W367-V371 HydrophobicContact CG-CG2 4.3Å; W367-V371 HydrophobicContact CH2-CB 4.34Å; W367-V371 HydrophobicContact CH2-CG1 4.04Å; W367-V371 HydrophobicContact CH2-CG2 3.98Å; W367-V371 HydrophobicContact CZ2-CB 4.29Å; W367-V371 HydrophobicContact CZ2-CG1 4.37Å; W367-V371 HydrophobicContact CZ2-CG2 4.06Å; W367-V371 HydrophobicContact CZ3-CG1 4.32Å; W367-V371 HydrophobicContact CZ3-CG2 3.71Å; W367-V371 WeakPolarHBondContact O-CG2 3.45Å; W367-V371 PolarHBondContact O-N 3.32Å; W367-D374 HydrophobicContact CZ2-CB 3.65Å; W367-D374 PolarHBondContact NE1-OD2 2.85Å; W367-V375 HydrophobicContact CH2-CG2 3.69Å; W367-V375 HydrophobicContact CZ2-CG2 4.07Å
368L74.3Confident77.7Confident115 Ų11579.9 Ų79.960%0.60242%0.421SS*.G310 helixtrans-42-44.2-178.2-152.876.7000115.4L364 L365 D370 V371L364-L368 PolarHBondContact O-N 2.81Å; L365-L368 HydrophobicContact CD1-CD2 4.47Å; L365-L368 VanDerWaalsContact O-CB 3.3Å; L365-L368 WeakPolarHBondContact O-CB 3.47Å; L365-L368 PolarHBondContact O-N 2.86Å; L368-D370 VanDerWaalsContact C-N 3.31Å; L368-D370 PolarHBondContact O-N 3.39Å; L368-V371 WeakPolarHBondContact O-CG2 3.32Å
369P72.1Confident77.5Confident105 Ų10584.8 Ų84.868%0.68243%0.431SS*.G310 helixtrans-62.4-31.4176.622.5-34.7000114.7E366 W367E366-P369 WeakPolarHBondContact O-CD 3.18Å; W367-P369 VanDerWaalsContact C-N 3.3Å; W367-P369 VanDerWaalsContact O-N 3.08Å
370D75.1Confident77.7Confident88 Ų8889.3 Ų89.347%0.47145%0.45SS..G310 helixtrans-97.5-1.8-174-57.4-43.8000113W367 L368 Q372 E373 D374W367-D370 PolarHBondContact O-N 3.33Å; L368-D370 VanDerWaalsContact C-N 3.31Å; L368-D370 PolarHBondContact O-N 3.39Å; D370-Q372 VanDerWaalsContact C-N 3.35Å; D370-Q372 PolarHBondContact O-N 2.84Å; D370-E373 PolarHBondContact O-N 3.36Å; D370-D374 PolarHBondContact O-N 2.92Å; D370-D374 VanDerWaalsContact O-N 3.11Å
371V77.3Confident77.9Confident28 Ų2886.1 Ų86.117%0.1743%0.433CS..Hα-helixtrans-55.5-43.3-172.2171.50000113.3W367 L368 E373 D374 V375W367-V371 HydrophobicContact CD2-CG2 3.64Å; W367-V371 HydrophobicContact CE3-CG2 3.54Å; W367-V371 HydrophobicContact CG-CG2 4.3Å; W367-V371 HydrophobicContact CH2-CB 4.34Å; W367-V371 HydrophobicContact CH2-CG1 4.04Å; W367-V371 HydrophobicContact CH2-CG2 3.98Å; W367-V371 HydrophobicContact CZ2-CB 4.29Å; W367-V371 HydrophobicContact CZ2-CG1 4.37Å; W367-V371 HydrophobicContact CZ2-CG2 4.06Å; W367-V371 HydrophobicContact CZ3-CG1 4.32Å; W367-V371 HydrophobicContact CZ3-CG2 3.71Å; W367-V371 WeakPolarHBondContact O-CG2 3.45Å; W367-V371 PolarHBondContact O-N 3.32Å; L368-V371 WeakPolarHBondContact O-CG2 3.32Å; V371-E373 PolarHBondContact O-N 2.98Å; V371-D374 PolarHBondContact O-N 3.34Å; V371-V375 HydrophobicContact CG1-CG2 3.7Å; V371-V375 VanDerWaalsContact O-CB 3.23Å; V371-V375 WeakPolarHBondContact O-CB 3.27Å; V371-V375 WeakPolarHBondContact O-CG2 3.39Å; V371-V375 PolarHBondContact O-N 2.82Å
372Q72.4Confident78.1Confident168 Ų16887 Ų8779%0.78543%0.433SS*.Hα-helixtrans-63.3-44.8-173.3-69.2-66.9-38.300111.5D370 G376D370-Q372 VanDerWaalsContact C-N 3.35Å; D370-Q372 PolarHBondContact O-N 2.84Å; Q372-G376 PolarHBondContact O-N 3.05Å
373E76Confident78.3Confident146 Ų14686.1 Ų86.168%0.68243%0.429SS*.Hα-helixtrans-71.9-40.1179.5-62.6-173.3178.900111.9R163 D370 V371 W377R163-E373 PolarHBondContact NH2-O 2.91Å; D370-E373 PolarHBondContact O-N 3.36Å; V371-E373 PolarHBondContact O-N 2.98Å; E373-W377 PolarHBondContact O-N 3.3Å; E373-W377 VanDerWaalsContact O-N 3.13Å
374D81.6Confident78.6Confident15 Ų1586.7 Ų86.78%0.0843%0.433CS..Hα-helixtrans-72.5-40.3-179.2-78.7-31.2000112.9I155 R163 W367 D370 V371 G376 W377 I378I155-D374 HydrophobicContact CD1-CB 4.48Å; I155-D374 HydrophobicContact CG2-CB 4.48Å; R163-D374 IonicContact CZ-OD1 3.38Å; R163-D374 IonicContact NE-OD1 3.33Å; R163-D374 PolarHBondContact NE-OD1 3.25Å; R163-D374 IonicContact NH2-OD1 2.63Å; R163-D374 PolarHBondContact NH2-OD1 3.16Å; W367-D374 HydrophobicContact CZ2-CB 3.65Å; W367-D374 PolarHBondContact NE1-OD2 2.85Å; D370-D374 PolarHBondContact O-N 2.92Å; D370-D374 VanDerWaalsContact O-N 3.11Å; V371-D374 PolarHBondContact O-N 3.34Å; D374-G376 VanDerWaalsContact C-N 3.33Å; D374-G376 PolarHBondContact O-N 3.31Å; D374-W377 PolarHBondContact O-N 2.85Å; D374-I378 WeakPolarHBondContact O-CB 3.24Å; D374-I378 WeakPolarHBondContact O-CG1 3.48Å; D374-I378 PolarHBondContact O-N 3.04Å
375V79.6Confident79Confident73 Ų7387.5 Ų87.544%0.44244%0.437SS..Hα-helixtrans-64.7-40.2176.3171.10000110.9W367 V371 I378 R379W367-V375 HydrophobicContact CH2-CG2 3.69Å; W367-V375 HydrophobicContact CZ2-CG2 4.07Å; V371-V375 HydrophobicContact CG1-CG2 3.7Å; V371-V375 VanDerWaalsContact O-CB 3.23Å; V371-V375 WeakPolarHBondContact O-CB 3.27Å; V371-V375 WeakPolarHBondContact O-CG2 3.39Å; V371-V375 PolarHBondContact O-N 2.82Å; V375-I378 PolarHBondContact O-N 3.48Å; V375-R379 WeakPolarHBondContact O-CB 3.36Å; V375-R379 PolarHBondContact O-N 3.44Å
376G78.7Confident79.4Confident32 Ų3286.4 Ų86.433%0.3343%0.431SS..Hα-helixtrans-57-50172.900000111.4Q372 D374 R379 E380Q372-G376 PolarHBondContact O-N 3.05Å; D374-G376 VanDerWaalsContact C-N 3.33Å; D374-G376 PolarHBondContact O-N 3.31Å; G376-R379 WeakPolarHBondContact O-CB 3.3Å; G376-R379 PolarHBondContact O-N 2.91Å; G376-E380 WeakPolarHBondContact O-CG 3.25Å; G376-E380 PolarHBondContact O-N 3.19Å; G376-E380 VanDerWaalsContact O-N 3.08Å
377W82.1Confident79.9Confident45 Ų4586.1 Ų86.117%0.1743%0.43CS..Hα-helixtrans-64-44.2177.6176.883.8000113.4V121 R163 E373 D374 R379 E380 Q381V121-W377 HydrophobicContact CG1-CH2 4.29Å; V121-W377 HydrophobicContact CG1-CZ2 3.71Å; R163-W377 VanDerWaalsContact CD-CD2 3.5Å; R163-W377 VanDerWaalsContact CD-CE2 3.43Å; R163-W377 VanDerWaalsContact NH1-CB 3.31Å; E373-W377 PolarHBondContact O-N 3.3Å; E373-W377 VanDerWaalsContact O-N 3.13Å; D374-W377 PolarHBondContact O-N 2.85Å; W377-R379 VanDerWaalsContact C-N 3.28Å; W377-R379 PolarHBondContact O-N 3.36Å; W377-E380 WeakPolarHBondContact O-CB 3.39Å; W377-E380 PolarHBondContact O-N 2.99Å; W377-E380 VanDerWaalsContact O-N 3.12Å; W377-Q381 HydrophobicContact CD2-CG 3.9Å; W377-Q381 VanDerWaalsContact CE2-CG 3.45Å; W377-Q381 HydrophobicContact CE3-CG 4.31Å; W377-Q381 HydrophobicContact CH2-CG 3.92Å; W377-Q381 HydrophobicContact CZ2-CG 3.48Å; W377-Q381 VanDerWaalsContact CZ2-CG 3.48Å; W377-Q381 HydrophobicContact CZ3-CG 4.32Å; W377-Q381 VanDerWaalsContact NE1-NE2 3.13Å; W377-Q381 WeakPolarHBondContact O-CG 3.43Å; W377-Q381 PolarHBondContact O-N 2.82Å
378I81.6Confident80.5Confident55 Ų5591.8 Ų91.828%0.28245%0.451SS..Hα-helixtrans-58.2-45.1177.4-71.2166.1000109.7I155 D374 V375 E380 Q381 I382I155-I378 HydrophobicContact CD1-CD1 4.25Å; I155-I378 HydrophobicContact CG1-CD1 4.47Å; D374-I378 WeakPolarHBondContact O-CB 3.24Å; D374-I378 WeakPolarHBondContact O-CG1 3.48Å; D374-I378 PolarHBondContact O-N 3.04Å; V375-I378 PolarHBondContact O-N 3.48Å; I378-E380 VanDerWaalsContact C-N 3.32Å; I378-E380 PolarHBondContact O-N 2.66Å; I378-Q381 PolarHBondContact O-N 3.05Å; I378-I382 HydrophobicContact CG2-CD1 3.68Å; I378-I382 HydrophobicContact CG2-CG1 4.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.41Å; I378-I382 PolarHBondContact O-N 3.41Å
379R80.2Confident81.1Confident179 Ų17991.6 Ų91.668%0.67545%0.45SS*.Hα-helixtrans-57.7-45.3176.2-179.7-175.5175.4-168.7-1.2111.3V375 G376 W377 I382 L383V375-R379 WeakPolarHBondContact O-CB 3.36Å; V375-R379 PolarHBondContact O-N 3.44Å; G376-R379 WeakPolarHBondContact O-CB 3.3Å; G376-R379 PolarHBondContact O-N 2.91Å; W377-R379 VanDerWaalsContact C-N 3.28Å; W377-R379 PolarHBondContact O-N 3.36Å; R379-I382 PolarHBondContact O-N 3.31Å; R379-L383 HydrophobicContact CG-CD1 4.14Å; R379-L383 WeakPolarHBondContact O-CB 3.17Å; R379-L383 VanDerWaalsContact O-CG 3.26Å; R379-L383 WeakPolarHBondContact O-CG 3.26Å; R379-L383 PolarHBondContact O-N 3.08Å
380E84.1Confident81.8Confident107 Ų10791.7 Ų91.750%0.544%0.444SS..Hα-helixtrans-62.1-42.2176.8-71.5177-172.300112.8G376 W377 I378 L383 K384G376-E380 WeakPolarHBondContact O-CG 3.25Å; G376-E380 PolarHBondContact O-N 3.19Å; G376-E380 VanDerWaalsContact O-N 3.08Å; W377-E380 WeakPolarHBondContact O-CB 3.39Å; W377-E380 PolarHBondContact O-N 2.99Å; W377-E380 VanDerWaalsContact O-N 3.12Å; I378-E380 VanDerWaalsContact C-N 3.32Å; I378-E380 PolarHBondContact O-N 2.66Å; E380-L383 PolarHBondContact O-N 2.84Å; E380-K384 WeakPolarHBondContact O-CG 3.33Å; E380-K384 PolarHBondContact O-N 3.41Å
381Q81.1Confident82.4Confident39 Ų3995.1 Ų95.118%0.18245%0.451CS..Hα-helixtrans-66.4-43.5177.9-63.8-51.3-37.300111.9W377 I378 L383 K384 I385W377-Q381 HydrophobicContact CD2-CG 3.9Å; W377-Q381 VanDerWaalsContact CE2-CG 3.45Å; W377-Q381 HydrophobicContact CE3-CG 4.31Å; W377-Q381 HydrophobicContact CH2-CG 3.92Å; W377-Q381 HydrophobicContact CZ2-CG 3.48Å; W377-Q381 VanDerWaalsContact CZ2-CG 3.48Å; W377-Q381 HydrophobicContact CZ3-CG 4.32Å; W377-Q381 VanDerWaalsContact NE1-NE2 3.13Å; W377-Q381 WeakPolarHBondContact O-CG 3.43Å; W377-Q381 PolarHBondContact O-N 2.82Å; I378-Q381 PolarHBondContact O-N 3.05Å; Q381-L383 VanDerWaalsContact C-N 3.3Å; Q381-L383 PolarHBondContact O-N 3.11Å; Q381-K384 PolarHBondContact O-N 2.87Å; Q381-I385 WeakPolarHBondContact O-CG1 3.36Å; Q381-I385 PolarHBondContact O-N 3.2Å
382I82.3Confident82.8Confident101 Ų10199.4 Ų99.452%0.51847%0.469SS..Hα-helixtrans-59.6-43.9175.1-69171.3000110.1I378 R379 K384 I385 L386I378-I382 HydrophobicContact CG2-CD1 3.68Å; I378-I382 HydrophobicContact CG2-CG1 4.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.41Å; I378-I382 PolarHBondContact O-N 3.41Å; R379-I382 PolarHBondContact O-N 3.31Å; I382-K384 PolarHBondContact O-N 3.35Å; I382-I385 PolarHBondContact O-N 3.03Å; I382-L386 VanDerWaalsContact O-CB 3.24Å; I382-L386 WeakPolarHBondContact O-CB 3.44Å; I382-L386 PolarHBondContact O-N 3.32Å
383L85.7Confident83.3Confident79 Ų7994 Ų9441%0.41445%0.453SS..Hα-helixtrans-61.7-43.2176.3-74.7169.6000112.1R379 E380 Q381 L386 Q387R379-L383 HydrophobicContact CG-CD1 4.14Å; R379-L383 WeakPolarHBondContact O-CB 3.17Å; R379-L383 VanDerWaalsContact O-CG 3.26Å; R379-L383 WeakPolarHBondContact O-CG 3.26Å; R379-L383 PolarHBondContact O-N 3.08Å; E380-L383 PolarHBondContact O-N 2.84Å; Q381-L383 VanDerWaalsContact C-N 3.3Å; Q381-L383 PolarHBondContact O-N 3.11Å; L383-L386 PolarHBondContact O-N 2.93Å; L383-Q387 WeakPolarHBondContact O-CB 3.38Å; L383-Q387 WeakPolarHBondContact O-CG 3.38Å; L383-Q387 PolarHBondContact O-N 2.94Å
384K84.5Confident83.5Confident89 Ų8990.2 Ų90.239%0.38744%0.443SS..Hα-helixtrans-62.1-45.1176.5-74.8171-176.4170.10111.7E380 Q381 I382 Q387 R388E380-K384 WeakPolarHBondContact O-CG 3.33Å; E380-K384 PolarHBondContact O-N 3.41Å; Q381-K384 PolarHBondContact O-N 2.87Å; I382-K384 PolarHBondContact O-N 3.35Å; K384-Q387 PolarHBondContact O-N 3.4Å; K384-R388 WeakPolarHBondContact O-CG 3.34Å; K384-R388 PolarHBondContact O-N 2.5Å
385I84.7Confident83.4Confident96 Ų9697.6 Ų97.649%0.49247%0.47SS..Hα-helixtrans-63-47.7177.1-67.1166.7000109.9Q381 I382 Q387 R388 L389Q381-I385 WeakPolarHBondContact O-CG1 3.36Å; Q381-I385 PolarHBondContact O-N 3.2Å; I382-I385 PolarHBondContact O-N 3.03Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.3Å; I385-R388 WeakPolarHBondContact O-CB 3.43Å; I385-R388 PolarHBondContact O-N 3.17Å; I385-R388 VanDerWaalsContact O-N 3.12Å; I385-L389 HydrophobicContact CG2-CD1 3.92Å; I385-L389 HydrophobicContact CG2-CG 4.29Å; I385-L389 WeakPolarHBondContact O-CG 3.46Å; I385-L389 PolarHBondContact O-N 2.84Å
386L85.1Confident83.3Confident93 Ų9397.9 Ų97.949%0.48747%0.468SS..Hα-helixtrans-61.8-40.8179.4-165.7119.8000111.6I382 L383 L389 L390I382-L386 VanDerWaalsContact O-CB 3.24Å; I382-L386 WeakPolarHBondContact O-CB 3.44Å; I382-L386 PolarHBondContact O-N 3.32Å; L383-L386 PolarHBondContact O-N 2.93Å; L386-L389 PolarHBondContact O-N 3.43Å; L386-L390 HydrophobicContact CD2-CD1 3.58Å; L386-L390 HydrophobicContact CD2-CG 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.22Å; L386-L390 VanDerWaalsContact O-CB 3.31Å; L386-L390 WeakPolarHBondContact O-CB 3.44Å; L386-L390 VanDerWaalsContact O-CG 3.25Å; L386-L390 WeakPolarHBondContact O-CG 3.32Å; L386-L390 PolarHBondContact O-N 3.27Å
387Q87.2Confident83.2Confident96 Ų96103.2 Ų103.245%0.44948%0.483SS..Hα-helixtrans-63.7-41173.3-75.8176.56.300112.3L383 K384 I385 L390 R391L383-Q387 WeakPolarHBondContact O-CB 3.38Å; L383-Q387 WeakPolarHBondContact O-CG 3.38Å; L383-Q387 PolarHBondContact O-N 2.94Å; K384-Q387 PolarHBondContact O-N 3.4Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.3Å; Q387-L390 PolarHBondContact O-N 2.89Å; Q387-R391 WeakPolarHBondContact O-CB 3.49Å; Q387-R391 VanDerWaalsContact O-CG 3.29Å; Q387-R391 WeakPolarHBondContact O-CG 3.3Å; Q387-R391 PolarHBondContact O-N 3.42Å
388R84.9Confident82.6Confident179 Ų179104.3 Ų104.368%0.67550%0.497SS*.Hα-helixtrans-63.4-45.4174.9-73.6179.2-172.1-165.13.8110.9K384 I385 R391 Q392K384-R388 WeakPolarHBondContact O-CG 3.34Å; K384-R388 PolarHBondContact O-N 2.5Å; I385-R388 WeakPolarHBondContact O-CB 3.43Å; I385-R388 PolarHBondContact O-N 3.17Å; I385-R388 VanDerWaalsContact O-N 3.12Å; R388-R391 PolarHBondContact O-N 3.06Å; R388-Q392 WeakPolarHBondContact O-CB 3.49Å; R388-Q392 PolarHBondContact O-N 3.11Å
389L87.3Confident82Confident111 Ų111107.8 Ų107.858%0.58151%0.513SS*.Hα-helixtrans-64-42.4177.1-69.5175.6000112I385 L386 Q392 A393I385-L389 HydrophobicContact CG2-CD1 3.92Å; I385-L389 HydrophobicContact CG2-CG 4.29Å; I385-L389 WeakPolarHBondContact O-CG 3.46Å; I385-L389 PolarHBondContact O-N 2.84Å; L386-L389 PolarHBondContact O-N 3.43Å; L389-Q392 PolarHBondContact O-N 2.91Å; L389-A393 WeakPolarHBondContact O-CB 3.35Å; L389-A393 PolarHBondContact O-N 3.07Å
390L87.3Confident81.4Confident106 Ų106106 Ų10656%0.55551%0.512SS*.Hα-helixtrans-64.2-39.8174.3-76.3167.9000111.7L386 Q387 S394L386-L390 HydrophobicContact CD2-CD1 3.58Å; L386-L390 HydrophobicContact CD2-CG 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.22Å; L386-L390 VanDerWaalsContact O-CB 3.31Å; L386-L390 WeakPolarHBondContact O-CB 3.44Å; L386-L390 VanDerWaalsContact O-CG 3.25Å; L386-L390 WeakPolarHBondContact O-CG 3.32Å; L386-L390 PolarHBondContact O-N 3.27Å; Q387-L390 PolarHBondContact O-N 2.89Å; L390-S394 VanDerWaalsContact O-CB 3.24Å; L390-S394 WeakPolarHBondContact O-CB 3.49Å; L390-S394 PolarHBondContact O-N 3.44Å; L390-S394 PolarHBondContact O-OG 3.46Å
391R85.9Confident80.6Confident160 Ų160103.6 Ų103.660%0.60450%0.504SS*.Hα-helixtrans-65.9-41.1173.2-75.3-176.7-149.2-158.17.1112Q387 R388 S394 R395Q387-R391 WeakPolarHBondContact O-CB 3.49Å; Q387-R391 VanDerWaalsContact O-CG 3.29Å; Q387-R391 WeakPolarHBondContact O-CG 3.3Å; Q387-R391 PolarHBondContact O-N 3.42Å; R388-R391 PolarHBondContact O-N 3.06Å; R391-S394 WeakPolarHBondContact CA-OG 3.4Å; R391-S394 PolarHBondContact O-OG 3.09Å; R391-R395 WeakPolarHBondContact O-CB 3.44Å; R391-R395 VanDerWaalsContact O-CG 3.24Å; R391-R395 WeakPolarHBondContact O-CG 3.42Å; R391-R395 PolarHBondContact O-N 2.89Å
392Q86.2Confident79.8Confident118 Ų118105 Ų10555%0.55152%0.518SS*.Hα-helixtrans-63.1-48.5175.8-165.995.51.300110.6R388 L389 R395 N396R388-Q392 WeakPolarHBondContact O-CB 3.49Å; R388-Q392 PolarHBondContact O-N 3.11Å; L389-Q392 PolarHBondContact O-N 2.91Å; Q392-R395 PolarHBondContact O-N 3.11Å; Q392-N396 WeakPolarHBondContact O-CB 3.4Å; Q392-N396 VanDerWaalsContact O-CG 3.23Å; Q392-N396 PolarHBondContact O-N 3.47Å; Q392-N396 PolarHBondContact O-OD1 3.44Å
393A82.6Confident78.6Confident56 Ų56102.6 Ų102.646%0.46351%0.513SS..Hα-helixtrans-65.9-42.4-179.900000112L389 N396 F397L389-A393 WeakPolarHBondContact O-CB 3.35Å; L389-A393 PolarHBondContact O-N 3.07Å; A393-N396 PolarHBondContact O-N 3.16Å; A393-F397 VanDerWaalsContact O-CB 3.25Å; A393-F397 WeakPolarHBondContact O-CB 3.42Å; A393-F397 PolarHBondContact O-N 3.43Å
394S81.2Confident77.4Confident66 Ų66108.3 Ų108.346%0.46253%0.529SS..Hα-helixtrans-66-37.8175.455.60000112.5L390 R391 F397 S398L390-S394 VanDerWaalsContact O-CB 3.24Å; L390-S394 WeakPolarHBondContact O-CB 3.49Å; L390-S394 PolarHBondContact O-N 3.44Å; L390-S394 PolarHBondContact O-OG 3.46Å; R391-S394 WeakPolarHBondContact CA-OG 3.4Å; R391-S394 PolarHBondContact O-OG 3.09Å; S394-F397 PolarHBondContact O-N 2.87Å; S394-S398 VanDerWaalsContact O-CB 3.27Å; S394-S398 WeakPolarHBondContact O-CB 3.38Å; S394-S398 PolarHBondContact O-N 3.46Å
395R79.9Confident76Confident170 Ų170109.3 Ų109.364%0.64254%0.538SS*.Hα-helixtrans-63.3-47.7171.6-77.5175.1174-176.9-3.1111.8R391 Q392 F397 S398 Q399R391-R395 WeakPolarHBondContact O-CB 3.44Å; R391-R395 VanDerWaalsContact O-CG 3.24Å; R391-R395 WeakPolarHBondContact O-CG 3.42Å; R391-R395 PolarHBondContact O-N 2.89Å; Q392-R395 PolarHBondContact O-N 3.11Å; R395-F397 VanDerWaalsContact C-N 3.33Å; R395-F397 PolarHBondContact O-N 3.07Å; R395-S398 PolarHBondContact O-N 3.46Å; R395-Q399 WeakPolarHBondContact O-CB 3.34Å; R395-Q399 VanDerWaalsContact O-CG 3.3Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 3.3Å
396N77.4Confident74.4Confident78 Ų78111.1 Ų111.142%0.41754%0.543SS..Hα-helixtrans-62.3-41.1177.3-71.1-7.5000111.5Q392 A393 Q399 H400Q392-N396 WeakPolarHBondContact O-CB 3.4Å; Q392-N396 VanDerWaalsContact O-CG 3.23Å; Q392-N396 PolarHBondContact O-N 3.47Å; Q392-N396 PolarHBondContact O-OD1 3.44Å; A393-N396 PolarHBondContact O-N 3.16Å; N396-Q399 PolarHBondContact O-N 2.9Å; N396-H400 WeakPolarHBondContact O-CB 3.36Å; N396-H400 PolarHBondContact O-CD2 2.79Å; N396-H400 VanDerWaalsContact O-CD2 3.27Å; N396-H400 PolarHBondContact O-N 2.88Å
397F75.6Confident72.8Confident144 Ų144110.1 Ų110.163%0.63254%0.543SS*.Hα-helixtrans-66.6-44.1176.3-173.3-99.2000111.6A393 S394 R395 Q399 H400 V401A393-F397 VanDerWaalsContact O-CB 3.25Å; A393-F397 WeakPolarHBondContact O-CB 3.42Å; A393-F397 PolarHBondContact O-N 3.43Å; S394-F397 PolarHBondContact O-N 2.87Å; R395-F397 VanDerWaalsContact C-N 3.33Å; R395-F397 PolarHBondContact O-N 3.07Å; F397-Q399 VanDerWaalsContact C-N 3.34Å; F397-Q399 PolarHBondContact O-N 3.42Å; F397-H400 PolarHBondContact O-N 3.36Å; F397-V401 HydrophobicContact CD1-CG2 3.94Å; F397-V401 HydrophobicContact CE1-CG2 3.56Å; F397-V401 HydrophobicContact CE2-CG2 4.22Å; F397-V401 HydrophobicContact CG-CG2 4.43Å; F397-V401 HydrophobicContact CZ-CG2 3.72Å; F397-V401 WeakPolarHBondContact O-CB 3.47Å; F397-V401 WeakPolarHBondContact O-CG2 3.46Å; F397-V401 PolarHBondContact O-N 3.11Å
398S69.4Low71.1Confident68 Ų68110.8 Ų110.848%0.47655%0.546SS..Hα-helixtrans-59.9-43.8174.7-174.80000111.4S394 R395 V401 S402S394-S398 VanDerWaalsContact O-CB 3.27Å; S394-S398 WeakPolarHBondContact O-CB 3.38Å; S394-S398 PolarHBondContact O-N 3.46Å; R395-S398 PolarHBondContact O-N 3.46Å; S398-V401 PolarHBondContact O-N 3.45Å; S398-S402 VanDerWaalsContact O-CB 3.3Å; S398-S402 WeakPolarHBondContact O-CB 3.35Å; S398-S402 PolarHBondContact O-N 3.42Å; S398-S402 PolarHBondContact O-OG 3.41Å; S398-S402 VanDerWaalsContact O-OG 3.07Å
399Q69.6Low69.4Low129 Ų129108.5 Ų108.560%0.60355%0.546SS*.Hα-helixtrans-64.3-41.2176.7-73.6174.1-5.100111.6R395 N396 F397 A403R395-Q399 WeakPolarHBondContact O-CB 3.34Å; R395-Q399 VanDerWaalsContact O-CG 3.3Å; R395-Q399 WeakPolarHBondContact O-CG 3.49Å; R395-Q399 PolarHBondContact O-N 3.3Å; N396-Q399 PolarHBondContact O-N 2.9Å; F397-Q399 VanDerWaalsContact C-N 3.34Å; F397-Q399 PolarHBondContact O-N 3.42Å; Q399-A403 VanDerWaalsContact O-CB 3.24Å; Q399-A403 WeakPolarHBondContact O-CB 3.37Å; Q399-A403 PolarHBondContact O-N 3.46Å
400H67.4Low67.7Low142 Ų142108 Ų10866%0.65754%0.541SS*.Hα-helixtrans-66.3-40.1175.2-87.8-58.9000113.1N396 F397 R404N396-H400 WeakPolarHBondContact O-CB 3.36Å; N396-H400 PolarHBondContact O-CD2 2.79Å; N396-H400 VanDerWaalsContact O-CD2 3.27Å; N396-H400 PolarHBondContact O-N 2.88Å; F397-H400 PolarHBondContact O-N 3.36Å; H400-R404 WeakPolarHBondContact O-CB 3.36Å; H400-R404 PolarHBondContact O-N 2.9Å
401V67.6Low65.8Low55 Ų55108.5 Ų108.533%0.33354%0.543SS..Hα-helixtrans-69.4-43176.8171.40000110.8F397 S398 R404 L405F397-V401 HydrophobicContact CD1-CG2 3.94Å; F397-V401 HydrophobicContact CE1-CG2 3.56Å; F397-V401 HydrophobicContact CE2-CG2 4.22Å; F397-V401 HydrophobicContact CG-CG2 4.43Å; F397-V401 HydrophobicContact CZ-CG2 3.72Å; F397-V401 WeakPolarHBondContact O-CB 3.47Å; F397-V401 WeakPolarHBondContact O-CG2 3.46Å; F397-V401 PolarHBondContact O-N 3.11Å; S398-V401 PolarHBondContact O-N 3.45Å; V401-R404 PolarHBondContact O-N 3.09Å; V401-L405 HydrophobicContact CG1-CD1 3.77Å; V401-L405 HydrophobicContact CG1-CG 4.4Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 WeakPolarHBondContact O-CG 3.34Å; V401-L405 PolarHBondContact O-N 2.88Å
402S63.3Low63.9Low68 Ų68106.4 Ų106.448%0.47654%0.54SS..Hα-helixtrans-62.7-43.8174.6-68.10000112.1S398 R404 L405 F406S398-S402 VanDerWaalsContact O-CB 3.3Å; S398-S402 WeakPolarHBondContact O-CB 3.35Å; S398-S402 PolarHBondContact O-N 3.42Å; S398-S402 PolarHBondContact O-OG 3.41Å; S398-S402 VanDerWaalsContact O-OG 3.07Å; S402-R404 VanDerWaalsContact C-N 3.34Å; S402-R404 PolarHBondContact O-N 3.11Å; S402-L405 PolarHBondContact O-N 3.22Å; S402-F406 VanDerWaalsContact O-CB 3.3Å; S402-F406 WeakPolarHBondContact O-CB 3.39Å; S402-F406 PolarHBondContact O-N 3.43Å
403A57.3Low61.8Low51 Ų51108.1 Ų108.142%0.42155%0.548SS..Hα-helixtrans-64.1-39.7175.200000111.8Q399 F406 C407Q399-A403 VanDerWaalsContact O-CB 3.24Å; Q399-A403 WeakPolarHBondContact O-CB 3.37Å; Q399-A403 PolarHBondContact O-N 3.46Å; A403-F406 PolarHBondContact O-N 3.17Å; A403-C407 WeakPolarHBondContact O-CB 3.4Å; A403-C407 PolarHBondContact O-N 3.36Å; A403-C407 PolarHBondContact O-SG 2.77Å
404R60.4Low59.9Low200 Ų200114.8 Ų114.876%0.75556%0.562SS**Hα-helixtrans-68.7-39.2177.8-160174.9-170.61781.9111.9H400 V401 S402 H408H400-R404 WeakPolarHBondContact O-CB 3.36Å; H400-R404 PolarHBondContact O-N 2.9Å; V401-R404 PolarHBondContact O-N 3.09Å; S402-R404 VanDerWaalsContact C-N 3.34Å; S402-R404 PolarHBondContact O-N 3.11Å; R404-H408 WeakPolarHBondContact O-CB 3.49Å; R404-H408 PolarHBondContact O-N 3.25Å
405L55.1Low58.1Low110 Ų110122 Ų12258%0.57658%0.58SS**Hα-helixtrans-66.1-40.5173-78.3164.5000111.5V401 S402 H408 L409V401-L405 HydrophobicContact CG1-CD1 3.77Å; V401-L405 HydrophobicContact CG1-CG 4.4Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 WeakPolarHBondContact O-CG 3.34Å; V401-L405 PolarHBondContact O-N 2.88Å; S402-L405 PolarHBondContact O-N 3.22Å; L405-H408 PolarHBondContact O-N 3.25Å; L405-L409 WeakPolarHBondContact O-CB 3.32Å; L405-L409 PolarHBondContact O-N 2.79Å
406F52.1Low56.2Low134 Ų134118 Ų11859%0.58858%0.577SS**Hα-helixtrans-64.1-47.7176.8-159.6-88.9000111.5S402 A403 H408 L409 E410S402-F406 VanDerWaalsContact O-CB 3.3Å; S402-F406 WeakPolarHBondContact O-CB 3.39Å; S402-F406 PolarHBondContact O-N 3.43Å; A403-F406 PolarHBondContact O-N 3.17Å; F406-H408 VanDerWaalsContact C-N 3.29Å; F406-H408 PolarHBondContact O-N 2.94Å; F406-L409 PolarHBondContact O-N 2.91Å; F406-E410 HydrophobicContact CD1-CG 4.28Å; F406-E410 HydrophobicContact CE1-CG 4.12Å; F406-E410 WeakPolarHBondContact CE1-OE1 3.41Å; F406-E410 PolarHBondContact O-N 3.49Å
407C51.1Low54.4Low71 Ų71121 Ų12148%0.4859%0.593SS.*Hα-helixtrans-61.4-36.8173.4-690000112.3A403 L411A403-C407 WeakPolarHBondContact O-CB 3.4Å; A403-C407 PolarHBondContact O-N 3.36Å; A403-C407 PolarHBondContact O-SG 2.77Å; C407-L411 WeakPolarHBondContact O-CB 3.41Å; C407-L411 WeakPolarHBondContact O-CD1 3.04Å; C407-L411 VanDerWaalsContact O-CG 3.23Å; C407-L411 WeakPolarHBondContact O-CG 3.41Å; C407-L411 PolarHBondContact O-N 2.92Å
408H50.5Low52.7Low111 Ų111119.9 Ų119.951%0.51460%0.6SS.*Hα-helixtrans-70-34.6176.9-139.1-85.2000111.9R404 L405 F406 H412R404-H408 WeakPolarHBondContact O-CB 3.49Å; R404-H408 PolarHBondContact O-N 3.25Å; L405-H408 PolarHBondContact O-N 3.25Å; F406-H408 VanDerWaalsContact C-N 3.29Å; F406-H408 PolarHBondContact O-N 2.94Å; H408-H412 AromaticContact ND1-CD2 3.74Å; H408-H412 AromaticContact ND1-NE2 3.98Å; H408-H412 PolarHBondContact O-CD2 3.32Å; H408-H412 PolarHBondContact O-N 3.49Å; H408-H412 VanDerWaalsContact O-N 3.1Å
409L51.2Low50.9Low130 Ų130122.3 Ų122.368%0.68162%0.617SS**Hα-helixtrans-69.9-43.4175.7-136.689000111.5L405 F406 H412 H413L405-L409 WeakPolarHBondContact O-CB 3.32Å; L405-L409 PolarHBondContact O-N 2.79Å; F406-L409 PolarHBondContact O-N 2.91Å; L409-H412 PolarHBondContact O-N 3.14Å; L409-H413 PolarHBondContact O-N 2.9Å
410E50.3Low49.2Very low102 Ų102125.6 Ų125.648%0.47763%0.629SS.*Hα-helixtrans-62.2-41.7174.1-79.1-173.1154.400111.6F406 H412 H413 Y414F406-E410 HydrophobicContact CD1-CG 4.28Å; F406-E410 HydrophobicContact CE1-CG 4.12Å; F406-E410 WeakPolarHBondContact CE1-OE1 3.41Å; F406-E410 PolarHBondContact O-N 3.49Å; E410-H412 VanDerWaalsContact C-N 3.28Å; E410-H412 PolarHBondContact O-N 2.93Å; E410-H413 PolarHBondContact O-N 3.44Å; E410-H413 VanDerWaalsContact O-N 3.1Å; E410-Y414 WeakPolarHBondContact O-CD2 2.94Å; E410-Y414 PolarHBondContact O-N 3.06Å
411L48.8Very low47.8Very low116 Ų116125 Ų12561%0.60764%0.638SS**Hα-helixtrans-63.5-32.1174.5-76168.1000112.8C407 R415C407-L411 WeakPolarHBondContact O-CB 3.41Å; C407-L411 WeakPolarHBondContact O-CD1 3.04Å; C407-L411 VanDerWaalsContact O-CG 3.23Å; C407-L411 WeakPolarHBondContact O-CG 3.41Å; C407-L411 PolarHBondContact O-N 2.92Å; L411-R415 PolarHBondContact O-N 3.2Å
412H45.1Very low45.9Very low115 Ų115128.2 Ų128.253%0.53266%0.663SS.*Hα-helixtrans-71.7-34171.8-94.2-86.3000112.7H408 L409 E410 R415H408-H412 AromaticContact ND1-CD2 3.74Å; H408-H412 AromaticContact ND1-NE2 3.98Å; H408-H412 PolarHBondContact O-CD2 3.32Å; H408-H412 PolarHBondContact O-N 3.49Å; H408-H412 VanDerWaalsContact O-N 3.1Å; L409-H412 PolarHBondContact O-N 3.14Å; E410-H412 VanDerWaalsContact C-N 3.28Å; E410-H412 PolarHBondContact O-N 2.93Å; H412-R415 PolarHBondContact O-N 3.41Å
413H41.7Very low44.6Very low154 Ų154130.2 Ų130.271%0.71368%0.677SS**Hα-helixtrans-69.2-31.1173.6-106.314.5000113.3L409 E410 S416L409-H413 PolarHBondContact O-N 2.9Å; E410-H413 PolarHBondContact O-N 3.44Å; E410-H413 VanDerWaalsContact O-N 3.1Å; H413-S416 PolarHBondContact O-OG 2.83Å
414Y43.1Very low43.4Very low197 Ų197133.3 Ų133.377%0.77370%0.695SS**Hα-helixtrans-77.4-18.9171.8-85.3-80000113.9E410E410-Y414 WeakPolarHBondContact O-CD2 2.94Å; E410-Y414 PolarHBondContact O-N 3.06Å
415R42.4Very low42.2Very low218 Ų218131.1 Ų131.182%0.82370%0.699SS**THydrogen-bonded Turntrans-86-1.8178.9-114.9178.8179.4-178.7-0.4114.7L411 H412L411-R415 PolarHBondContact O-N 3.2Å; H412-R415 PolarHBondContact O-N 3.41Å
416S40.9Very low41.1Very low85 Ų85134.1 Ų134.159%0.59471%0.714SS**THydrogen-bonded Turntrans-110.830.2-179.359.20000114.4H413H413-S416 PolarHBondContact O-OG 2.83Å
417L40.6Very low40.3Very low141 Ų141136.9 Ų136.974%0.73873%0.726SS**SBendtrans-98.8131.6161.7-102.697.2000110.6
418P39.1Very low39.8Very low121 Ų121139.6 Ų139.679%0.78674%0.743SS**PPolyproline II helixtrans-69.3134176.427.6-30.8000110.7
419S31.5Very low39Very low118 Ų118138.2 Ų138.283%0.82575%0.751SS**PPolyproline II helixtrans-62.3130.6173.344.90000111.8
420K33.4Very low38.1Very low199 Ų199144.6 Ų144.687%0.86577%0.766SS**  trans-124.5134.1150.1-82.1-173.1177.1179.90107.9
421P37.7Very low37.2Very low130 Ų130148.3 Ų148.384%0.84479%0.786SS**  trans-82.5129.7176.633.1-28.6000108.6
422S28.3Very low36.4Very low122 Ų122150.3 Ų150.385%0.85380%0.797SS**  trans-146129156.3-1620000109.6
423S36.1Very low35.6Very low109 Ų109150.7 Ų150.776%0.76281%0.813SS**  trans-77.3127.9-175.548.50000112.1
424S32.1Very low35.3Very low117 Ų117149 Ų14982%0.81882%0.818SS**  trans-173.8132136.251.20000110.5
425N35.6Very low35.5Very low154 Ų154143.5 Ų143.582%0.82482%0.821SS**  trans-45147.8177.9-60.6-42000115
426L32.5Very low35Very low172 Ų172137.5 Ų137.590%0.90181%0.813SS**  177.5104.8121-90.7160.3000109.7
427F35.4Very low35Very low192 Ų192137.1 Ų137.184%0.84281%0.81SS**  trans-73.8158.8158-84.7-83.3000109.5
428P38.9Very low35Very low128 Ų128138.6 Ų138.683%0.83182%0.815SS**  -122.5140.2105-0.920.7000113.5
429A34.9Very low35Very low82 Ų82139.4 Ų139.468%0.67881%0.808SS**  trans-70.9133.1173.500000112
430W32.3Very low35.4Very low264 Ų264137.5 Ų137.5100%179%0.789SS**  trans-152.970.6141-13342.6000110.9
431M31.2Very low36Very low181 Ų181132.3 Ų132.389%0.89277%0.774SS**  trans-116.8107.7149.7-102.9-172.7172.400106.1
432N32.7Very low36Very low158 Ų158133.7 Ų133.785%0.84577%0.767SS**  trans-162.590.4147.9-107.6-5.1000108.9
433S28.3Very low36.5Very low123 Ų123132 Ų13286%0.8675%0.749SS**  trans-151.4107.8141.950.60000108.8
434S34.4Very low36.6Very low117 Ų117135 Ų13582%0.81874%0.743SS**  trans-62.4142.9175.3-51.90000111.7
435G46.4Very low36.9Very low82 Ų82137.1 Ų137.185%0.84573%0.734SS**  trans66.398.4145.300000118
436S32.4Very low36.8Very low93 Ų93136 Ų13665%0.6572%0.722SS**  trans-127.6132.6147.562.40000110.3
437S41Very low37Very low76 Ų76133.6 Ų133.653%0.53171%0.71SS.*  trans-67.6158.5-165.872.70000113.7Q439 D440S437-Q439 PolarHBondContact O-N 2.82Å; S437-D440 PolarHBondContact O-N 2.72Å; S437-D440 VanDerWaalsContact O-N 3.1Å
438M40.3Very low36.8Very low173 Ų173134.6 Ų134.685%0.85271%0.708SS**THydrogen-bonded Turntrans-56-9.9175.8-76.7-151.7-99.100114.9
439Q38.9Very low36.7Very low137 Ų137134.5 Ų134.564%0.6470%0.7SS**Hα-helixtrans-70.3-37.3174.6-14178.913.700112.4S437 V441 F442 D443S437-Q439 PolarHBondContact O-N 2.82Å; Q439-V441 PolarHBondContact O-N 3.15Å; Q439-F442 PolarHBondContact O-N 2.93Å; Q439-F442 VanDerWaalsContact O-N 3.16Å; Q439-D443 PolarHBondContact O-N 2.92Å; Q439-D443 VanDerWaalsContact O-N 3.13Å
440D40.1Very low36.6Very low79 Ų79136.9 Ų136.942%0.42270%0.701SS.*Hα-helixtrans-71-19.9-178.2-92.7-16.1000113.5S437 R444S437-D440 PolarHBondContact O-N 2.72Å; S437-D440 VanDerWaalsContact O-N 3.1Å; D440-R444 PolarHBondContact O-N 3.42Å; D440-R444 PolarHBondContact O-NE 3.03Å
441V46.9Very low36.6Very low89 Ų89128.7 Ų128.754%0.53968%0.684SS.*Hα-helixtrans-82.2-34.4175.1-178.60000110.2Q439 Y445Q439-V441 PolarHBondContact O-N 3.15Å; V441-Y445 PolarHBondContact O-N 3.27Å; V441-Y445 VanDerWaalsContact O-N 3.12Å
442F37.8Very low36.5Very low160 Ų160122.9 Ų122.970%0.70267%0.67SS**Hα-helixtrans-72.5-39.3178.5-125.9-87.1000112.2Q439 Y445 K446Q439-F442 PolarHBondContact O-N 2.93Å; Q439-F442 VanDerWaalsContact O-N 3.16Å; F442-Y445 PolarHBondContact O-N 3.03Å; F442-K446 PolarHBondContact O-N 2.93Å
443D39Very low36.5Very low87 Ų87121.4 Ų121.447%0.46567%0.666SS.*Hα-helixtrans-70.9-32.2175.8-80.8-29.2000112.7Q439 Y445 K446 N447Q439-D443 PolarHBondContact O-N 2.92Å; Q439-D443 VanDerWaalsContact O-N 3.13Å; D443-Y445 VanDerWaalsContact C-N 3.32Å; D443-Y445 PolarHBondContact O-N 3.38Å; D443-K446 PolarHBondContact O-N 3.11Å; D443-N447 PolarHBondContact O-N 3.05Å
444R37.7Very low36.6Very low171 Ų171123.2 Ų123.265%0.64567%0.666SS**Hα-helixtrans-67.7-29.8169.6-94-174.7-91.1-166.3-10.3113.3D440D440-R444 PolarHBondContact O-N 3.42Å; D440-R444 PolarHBondContact O-NE 3.03Å
445Y38.5Very low36.2Very low162 Ų162123.1 Ų123.164%0.63566%0.663SS**Hα-helixtrans-77.2-38.3175.3-115-90000112.5V441 F442 D443 N447 R448 L449V441-Y445 PolarHBondContact O-N 3.27Å; V441-Y445 VanDerWaalsContact O-N 3.12Å; F442-Y445 PolarHBondContact O-N 3.03Å; D443-Y445 VanDerWaalsContact C-N 3.32Å; D443-Y445 PolarHBondContact O-N 3.38Å; Y445-N447 PolarHBondContact O-N 2.95Å; Y445-R448 PolarHBondContact O-N 3.49Å; Y445-L449 HydrophobicContact CD1-CD1 4.46Å; Y445-L449 PolarHBondContact O-N 2.74Å; Y445-L449 VanDerWaalsContact O-N 3.08Å
446K33.8Very low35.3Very low131 Ų131125.8 Ų125.857%0.5766%0.657SS**Hα-helixtrans-65.4-38.2178.3-162.5176.2178-1790112.2F442 D443 R448 L449 L450F442-K446 PolarHBondContact O-N 2.93Å; D443-K446 PolarHBondContact O-N 3.11Å; K446-R448 VanDerWaalsContact C-N 3.33Å; K446-R448 PolarHBondContact O-N 2.79Å; K446-L449 PolarHBondContact O-N 3.17Å; K446-L450 HydrophobicContact CG-CD1 4.48Å; K446-L450 PolarHBondContact O-N 3.35Å
447N34.9Very low34.9Very low120 Ų120128.6 Ų128.664%0.64267%0.665SS**Hα-helixtrans-73.5-20.8176.7-73.2-18.7000113.8D443 Y445D443-N447 PolarHBondContact O-N 3.05Å; Y445-N447 PolarHBondContact O-N 2.95Å
448R32.9Very low34.3Very low214 Ų214130 Ų13081%0.80866%0.664SS**Hα-helixtrans-85.6-29.8172.2-90-173.8170.3-166.8-2.4113.6Y445 K446Y445-R448 PolarHBondContact O-N 3.49Å; K446-R448 VanDerWaalsContact C-N 3.33Å; K446-R448 PolarHBondContact O-N 2.79Å
449L35.5Very low33.6Very low126 Ų126128.2 Ų128.266%0.6666%0.658SS**Hα-helixtrans-74.5-32.2177.4-121.496.4000112.9Y445 K446 S451 G452Y445-L449 HydrophobicContact CD1-CD1 4.46Å; Y445-L449 PolarHBondContact O-N 2.74Å; Y445-L449 VanDerWaalsContact O-N 3.08Å; K446-L449 PolarHBondContact O-N 3.17Å; L449-S451 VanDerWaalsContact C-N 3.3Å; L449-S451 PolarHBondContact O-N 2.88Å; L449-G452 PolarHBondContact O-N 2.8Å
450L32.5Very low33.3Very low132 Ų132126.5 Ų126.569%0.69165%0.653SS**THydrogen-bonded Turntrans-76.4-14.8178.8-74.6167.1000113.8K446 G452K446-L450 HydrophobicContact CG-CD1 4.48Å; K446-L450 PolarHBondContact O-N 3.35Å; L450-G452 VanDerWaalsContact C-N 3.31Å
451S32.6Very low32.7Very low92 Ų92131.1 Ų131.164%0.64367%0.672SS**THydrogen-bonded Turntrans-82.7-5.8173.9-173.10000113.5L449L449-S451 VanDerWaalsContact C-N 3.3Å; L449-S451 PolarHBondContact O-N 2.88Å
452G30.5Very low31.8Very low58 Ų58129 Ų12960%0.59867%0.668SS**SBendtrans-101.30-169.200000116.6L449 L450L449-G452 PolarHBondContact O-N 2.8Å; L450-G452 VanDerWaalsContact C-N 3.31Å
453V32.8Very low31.3Very low128 Ų128126.1 Ų126.178%0.77667%0.668SS**SBendtrans-107.2-3-171.9-178.30000113.6
454L29Very low30.8Very low161 Ų161130.9 Ų130.984%0.84369%0.685SS**  trans-135.553.3174.5-86.6159.9000111.3
455C27.7Very low30.3Very low114 Ų114131.9 Ų131.977%0.7769%0.694SS**  trans-100.490.4157.6-78.20000107.6D457C455-D457 PolarHBondContact O-N 3.37Å
456I26.6Very low29.8Very low138 Ų138130.3 Ų130.371%0.70870%0.701SS**  trans-66.6116.7153.1-62.5173.6000104.3M458I456-M458 VanDerWaalsContact C-N 3.25Å; I456-M458 HydrophobicContact CG2-CG 4.31Å; I456-M458 PolarHBondContact O-N 2.89Å
457D23.9Very low29.4Very low153 Ų153127.5 Ų127.582%0.81871%0.709SS**  trans-64.790.1174.2-148.7-2.3000107.5C455 D459C455-D457 PolarHBondContact O-N 3.37Å; D457-D459 PolarHBondContact O-N 3.34Å
458M28.6Very low28.9Very low106 Ų106133.5 Ų133.552%0.52272%0.723SS.*  trans-86.188.3169.2-74.9-91.6-65.700105.6F207 I456 L460F207-M458 HydrophobicContact CD2-CE 4.13Å; F207-M458 HydrophobicContact CE2-CE 3.79Å; F207-M458 HydrophobicContact CE2-SD 4.15Å; I456-M458 VanDerWaalsContact C-N 3.25Å; I456-M458 HydrophobicContact CG2-CG 4.31Å; I456-M458 PolarHBondContact O-N 2.89Å; M458-L460 HydrophobicContact CB-CD1 4.42Å; M458-L460 HydrophobicContact CE-CD1 4.05Å; M458-L460 PolarHBondContact O-N 3.18Å
459D25.9Very low28.8Very low135 Ų135130.9 Ų130.972%0.72272%0.724SS**  trans-69.178172.9-157.79.7000108.7D457 Q461D457-D459 PolarHBondContact O-N 3.34Å; D459-Q461 PolarHBondContact O-N 2.96Å; D459-Q461 VanDerWaalsContact O-N 3.12Å
460L32Very low28.6Very low100 Ų100129.9 Ų129.952%0.52472%0.724SS.*  trans-76.189.6172-104.4139.1000107L205 M458 G462L205-L460 HydrophobicContact CD1-CD2 3.97Å; M458-L460 HydrophobicContact CB-CD1 4.42Å; M458-L460 HydrophobicContact CE-CD1 4.05Å; M458-L460 PolarHBondContact O-N 3.18Å; L460-G462 PolarHBondContact O-N 3Å
461Q27.9Very low28.5Very low176 Ų176129.5 Ų129.582%0.82273%0.73SS**  trans-67.178.6163.3-81.5-173.45.200110D459 S463D459-Q461 PolarHBondContact O-N 2.96Å; D459-Q461 VanDerWaalsContact O-N 3.12Å; Q461-S463 PolarHBondContact O-N 2.77Å
462G27.8Very low28.2Very low46 Ų46134.2 Ų134.247%0.47474%0.742SS.*  trans-76.295.7161.800000109.2L460 F464L460-G462 PolarHBondContact O-N 3Å; G462-F464 VanDerWaalsContact O-CD2 3.3Å; G462-F464 WeakPolarHBondContact O-CD2 3.17Å; G462-F464 PolarHBondContact O-N 3.41Å
463S27Very low28Very low98 Ų98138.1 Ų138.169%0.68575%0.754SS**  trans-69.891.6169.3162.10000109.8Q461 K465Q461-S463 PolarHBondContact O-N 2.77Å; S463-K465 PolarHBondContact O-N 3.22Å; S463-K465 VanDerWaalsContact O-N 3.14Å
464F28.3Very low27.6Very low188 Ų188139.4 Ų139.483%0.82576%0.757SS**  trans-75.195.8168.7-65.3-80.7000110.1G462 T466G462-F464 VanDerWaalsContact O-CD2 3.3Å; G462-F464 WeakPolarHBondContact O-CD2 3.17Å; G462-F464 PolarHBondContact O-N 3.41Å; F464-T466 PolarHBondContact O-N 3.17Å
465K26.9Very low27.4Very low192 Ų192143.8 Ų143.884%0.83576%0.762SS**  trans-87.292.3162.7-76.5-174.2179.4178.40108.9S463 G467S463-K465 PolarHBondContact O-N 3.22Å; S463-K465 VanDerWaalsContact O-N 3.14Å; K465-G467 PolarHBondContact O-N 2.79Å
466T28.5Very low27.3Very low129 Ų129144.9 Ų144.979%0.79177%0.765SS**  trans-80.5105.2163.641.40000108.6F464 R468F464-T466 PolarHBondContact O-N 3.17Å; T466-R468 PolarHBondContact O-N 3.36Å
467G26.4Very low27.2Very low72 Ų72142.6 Ų142.674%0.74277%0.766SS**PPolyproline II helixtrans-64.5123168.800000109.6K465 I469K465-G467 PolarHBondContact O-N 2.79Å; G467-I469 PolarHBondContact O-N 3.34Å
468R24.8Very low27.2Very low245 Ų245140 Ų14093%0.92576%0.761SS**PPolyproline II helixtrans-66.3122173.3-75.4-172.9-177.5-173.61.1109.7T466T466-R468 PolarHBondContact O-N 3.36Å
469I29.9Very low27Very low160 Ų160144.2 Ų144.282%0.82178%0.776SS**PPolyproline II helixtrans-80.8128.4163.9-61.2170.2000107.4G467G467-I469 PolarHBondContact O-N 3.34Å
470P30.6Very low27Very low104 Ų104146.5 Ų146.568%0.67578%0.78SS**PPolyproline II helixtrans-78.4152.8169.5-0.818.3000110.9
471P30.2Very low26.6Very low124 Ų124149.6 Ų149.681%0.80579%0.792SS**PPolyproline II helixtrans-73.2139.5-169.430.6-33.2000112.2
472E26.3Very low26.5Very low192 Ų192148.8 Ų148.890%0.89779%0.788SS**PPolyproline II helixtrans-60.9130.2170.5-69.5180146.600111.4
473T26.8Very low26.3Very low140 Ų140152.6 Ų152.686%0.85980%0.798SS**  trans-106.5117.7156.133.80000109.2R475T473-R475 PolarHBondContact O-N 3.44Å
474N25.2Very low26.2Very low155 Ų155157.2 Ų157.283%0.82981%0.806SS**  trans-41.3124.2168.5-81.7-35.5000113.6
475R25Very low26.1Very low252 Ų252152.4 Ų152.495%0.95180%0.801SS**  trans-147.9127.5137.2-93.1-171.1-171.5-176.82.1110.2T473T473-R475 PolarHBondContact O-N 3.44Å
476V24.5Very low26.1Very low138 Ų138152.3 Ų152.384%0.83680%0.803SS**  trans-86.2156.1178.6168.80000110.4
477A25.4Very low26Very low89 Ų89157.4 Ų157.474%0.73681%0.808SS**  trans80.2137.8167.600000115.5
478S24.3Very low26Very low100 Ų100164 Ų16470%0.69982%0.816SS**  cis-176.8144.49.9370000109.3
479F24.1Very low26Very low193 Ų193155.4 Ų155.485%0.84680%0.803SS**  trans66.4136.5141-84.7-93.7000123.8
480F24.8Very low25.8Very low184 Ų184159.3 Ų159.381%0.80781%0.809SS**  trans-11.9144.6154.3-81-100.7000118.8
481Q23.9Very low25.7Very low165 Ų165163.2 Ų163.277%0.77182%0.816SS**  146122.1111-156151.5-7.400113.1
482Q25.4Very low25.6Very low158 Ų158164.8 Ų164.874%0.73882%0.818SS**  trans17.4144.6136.5-108.5164.3-27.900122.1
483D24.4Very low25.8Very low127 Ų127161.7 Ų161.768%0.67981%0.808SS**  trans100111.8144.5-71.1-15.7000121.9
484F24.3Very low26.6Very low194 Ų194160.9 Ų160.985%0.85180%0.804SS**  54.8140.6121.1-92.7-89.5000123.6
485A26.1Very low26.8Very low87 Ų87162.1 Ų162.172%0.71981%0.805SS**  trans79.6137.2162.200000115.8
486E26.4Very low27Very low191 Ų191154.1 Ų154.189%0.89380%0.801SS**  cis-162.9156.434.2-146.5170-153.100113.3
487R27Very low27.2Very low235 Ų235151.5 Ų151.589%0.88780%0.802SS**  trans-70.2153.4177-79.3171.5168.2177.9-3.5113.9
488K26.1Very low27.5Very low212 Ų212157.1 Ų157.192%0.92281%0.81SS**  -178.4116.1127.3-97.7167.3-175.4177.20105.7
489G25.2Very low28.5Very low63 Ų63158.1 Ų158.165%0.64981%0.814SS**  cis101.2105.131.600000108.5
490Y26.2Very low28.8Very low242 Ų242153.2 Ų153.295%0.94981%0.809SS**  trans-161.9131.2142.8-99.9-70.5000111.6
491F27.9Very low29.2Very low187 Ų187153.9 Ų153.982%0.8281%0.811SS**  trans-71.5150.6-179.5-91.7-110.2000113.3
492N28Very low30.2Very low156 Ų156151.1 Ų151.183%0.83481%0.808SS**  177.4131.4106.9-93.8-23.7000112.6
493N31.5Very low30.5Very low128 Ų128151.5 Ų151.568%0.68481%0.814SS**  trans-109.8157.7161.2-152.410.5000106
494P42.3Very low30.8Very low122 Ų122151 Ų15179%0.79282%0.821SS**  -151.2160.495.734.2-14.5000116.4
495Q31Very low31.2Very low182 Ų182153.3 Ų153.385%0.8582%0.824SS**  trans-84.7155.2165.5-71.2-179.3-17.500112.5
496G29Very low31.5Very low84 Ų84154 Ų15487%0.86682%0.823SS**  123.1125.512800000119.2
497G28.2Very low32Very low82 Ų82153.8 Ų153.885%0.84582%0.819SS**  trans134.9114.1149.400000118.1
498K31.5Very low32.6Very low208 Ų208146.7 Ų146.790%0.90481%0.806SS**  trans-72.3-171.8173.6-60.8177.4173175.10112.5
499P45.5Very low33.3Very low120 Ų120144.8 Ų144.878%0.77980%0.798SS**  cis-146.6167.85.839.7-17.1000120.3
500A30.7Very low34.5Very low90 Ų90156.3 Ų156.374%0.74482%0.822SS**  trans64.6126.2138.300000127.1
501K32.9Very low35Very low198 Ų198152.1 Ų152.186%0.86182%0.816SS**  trans79.1159.6139.9-83.4-175.4-177.9-179.40121.2
502P44.7Very low35.3Very low108 Ų108150.2 Ų150.270%0.70182%0.815SS**  cis-137.5171.6-14.831.7-9.3000117.5
503L30.8Very low35.7Very low166 Ų166149.9 Ų149.987%0.86981%0.814SS**  trans13132.9153.2-74.795.8000122.2
504S32.1Very low36Very low117 Ų117151.2 Ų151.282%0.81882%0.822SS**  -156.8124.2123.369.80000114.9
505R31.9Very low35.6Very low242 Ų242153 Ų15391%0.91382%0.824SS**  trans34.5122.8140.2-81.4178.5168.6171.3-3.9123.8
506S32.7Very low35.9Very low100 Ų100151.1 Ų151.170%0.69982%0.822SS**  69.2117.9112.3-171.50000121.1
507K37Very low36.4Very low188 Ų188155.9 Ų155.982%0.81782%0.819SS**  165.3103.7119.5-88.7173.4-177.8-176.90108
508S39.1Very low37Very low86 Ų86161.5 Ų161.560%0.60182%0.817SS**  38.4112.590.668.20000114.8
509F40.7Very low37.5Very low172 Ų172157.7 Ų157.775%0.75481%0.809SS**  177.6135.6102.4-102-70.3000112.4
510W51.9Low36.8Very low305 Ų305161.1 Ų161.1100%1.15581%0.812SS**  trans61.30166-64.199.1000119.9

Retrieved 510 of 510 residues in 598.7 ms (Link to these results)

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