A0A077Z602_TRITR Loading...

Glycerol-3-phosphate dehydrogenase [NAD(+)]

AlphaFold DB , UniProt , Accession A0A077Z602, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M72.3Confident90Very high246 Ų24639.5 Ų39.5100%1.21221%0.21SC*.  0140.50-112.3172.8-172.100107.4
2G90.9Very high89.8Confident19 Ų1940.3 Ų40.320%0.19622%0.221CC..PPolyproline II helixtrans-65.1161.9174.900000111.7Q4G2-Q4 PolarHBondContact O-N 2.99Å
3R95.9Very high89.9Confident106 Ų10640.6 Ų40.640%0.422%0.217SC..EExtended strand (participates in β ladder)trans-62.7126.3-179.2-67.7176.2-172.882-2.7111.1D31 F32 S33 D103 I104R3-D31 PolarHBondContact N-O 2.74Å; R3-D31 IonicContact NH1-OD1 2.85Å; R3-F32 HydrophobicContact CB-CD1 4.11Å; R3-F32 WeakPolarHBondContact O-CA 3.4Å; R3-S33 PolarHBondContact O-N 3.04Å; R3-D103 WeakPolarHBondContact CA-OD2 3.28Å; R3-D103 HydrophobicContact CB-CB 3.84Å; R3-D103 HydrophobicContact CG-CB 4.12Å; R3-I104 HydrophobicContact CB-CD1 4.45Å
4Q94.7Very high90.1Very high25 Ų2537.7 Ų37.712%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-79.4122.3176.1-176.355.674.200110.7G2 V6 S33 T35 D101 D103 I104G2-Q4 PolarHBondContact O-N 2.99Å; Q4-V6 HydrophobicContact CG-CG2 4.38Å; Q4-S33 VanDerWaalsContact OE1-CB 3.25Å; Q4-S33 PolarHBondContact OE1-OG 3.1Å; Q4-T35 PolarHBondContact NE2-O 3.5Å; Q4-D101 VanDerWaalsContact CB-O 3.29Å; Q4-D101 WeakPolarHBondContact CB-O 3Å; Q4-D101 HydrophobicContact CG-CB 4.42Å; Q4-D103 PolarHBondContact N-OD2 2.71Å; Q4-D103 PolarHBondContact O-N 3.38Å; Q4-I104 PolarHBondContact O-N 3.16Å; Q4-I104 VanDerWaalsContact O-N 3.07Å
5V94.8Very high90.2Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-95.6131.8177.1-176.10000109.8L21 V25 F32 V36 W37 I104 V106 L216V5-L21 HydrophobicContact CG1-CD1 4.32Å; V5-V25 HydrophobicContact CG2-CG1 3.98Å; V5-F32 HydrophobicContact CG2-CD1 4.08Å; V5-V36 HydrophobicContact CG1-CG1 4.34Å; V5-W37 PolarHBondContact O-N 3.38Å; V5-W37 VanDerWaalsContact O-N 3.17Å; V5-I104 HydrophobicContact CG2-CB 4.4Å; V5-V106 HydrophobicContact CG1-CG2 4.18Å; V5-L216 HydrophobicContact CG1-CD2 4.23Å; V5-L216 HydrophobicContact CG2-CD1 3.92Å; V5-L216 HydrophobicContact CG2-CD2 3.94Å
6V94.2Very high90.4Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-130.3124.4176.9179.80000108.9Q4 I8 W37 C98 A102 I104 L105 V106Q4-V6 HydrophobicContact CG-CG2 4.38Å; V6-I8 HydrophobicContact CG1-CD1 3.79Å; V6-W37 HydrophobicContact CB-CB 4.42Å; V6-W37 HydrophobicContact CG1-CB 4.19Å; V6-W37 HydrophobicContact CG2-CB 4.08Å; V6-W37 HydrophobicContact CG2-CG 4.37Å; V6-C98 HydrophobicContact CG1-CB 3.93Å; V6-A102 HydrophobicContact CB-CB 3.89Å; V6-A102 HydrophobicContact CG2-CB 3.63Å; V6-I104 PolarHBondContact N-O 2.86Å; V6-L105 HydrophobicContact CB-CD1 4.21Å; V6-L105 HydrophobicContact CG1-CD1 4.18Å; V6-V106 PolarHBondContact O-N 2.86Å
7V93.4Very high90.7Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-101.1121.4175.2-174.80000108.9T18 L21 V36 W37 L38 F39 V106 A108V7-T18 HydrophobicContact CB-CG2 4.03Å; V7-T18 HydrophobicContact CG1-CG2 4.26Å; V7-T18 HydrophobicContact CG2-CG2 3.7Å; V7-L21 HydrophobicContact CG2-CD1 3.44Å; V7-L21 VanDerWaalsContact CG2-CD1 3.44Å; V7-V36 HydrophobicContact CG2-CG1 3.81Å; V7-W37 PolarHBondContact N-O 3.4Å; V7-L38 HydrophobicContact CB-CD1 3.81Å; V7-L38 HydrophobicContact CG1-CD1 3.71Å; V7-F39 PolarHBondContact O-N 2.85Å; V7-V106 CarbonylContact C-O 3.51Å; V7-V106 WeakPolarHBondContact CA-O 3.4Å; V7-V106 HydrophobicContact CB-CB 4.4Å; V7-V106 HydrophobicContact CG1-CB 4.37Å; V7-V106 HydrophobicContact CG1-CG1 4.36Å; V7-V106 HydrophobicContact CG2-CB 4.04Å; V7-V106 HydrophobicContact CG2-CG1 4.5Å; V7-V106 HydrophobicContact CG2-CG2 4.3Å; V7-A108 HydrophobicContact CG1-CB 4.37Å
8I91.8Very high91Very high1 Ų129.3 Ų29.31%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-99112.8174-52.5-59.4000107.8V6 F39 I95 L105 V106 L107 A108 I109 T117 M121V6-I8 HydrophobicContact CG1-CD1 3.79Å; I8-F39 HydrophobicContact CD1-CB 3.78Å; I8-F39 HydrophobicContact CD1-CG 4.27Å; I8-F39 HydrophobicContact CG2-CD1 4.22Å; I8-I95 HydrophobicContact CD1-CG1 4.37Å; I8-I95 HydrophobicContact CG2-CD1 4.39Å; I8-L105 HydrophobicContact CD1-CD1 3.98Å; I8-L105 HydrophobicContact CG1-CD1 3.56Å; I8-L105 HydrophobicContact CG1-CG 4.22Å; I8-V106 PolarHBondContact N-O 2.95Å; I8-L107 HydrophobicContact CB-CD2 4.03Å; I8-L107 HydrophobicContact CG1-CD2 4.18Å; I8-L107 HydrophobicContact CG2-CD2 4.36Å; I8-A108 CarbonylContact O-C 3.6Å; I8-A108 PolarHBondContact O-N 3.26Å; I8-I109 HydrophobicContact CG2-CD1 4.48Å; I8-I109 HydrophobicContact CG2-CG2 4.21Å; I8-T117 HydrophobicContact CG2-CG2 3.64Å; I8-M121 HydrophobicContact CD1-SD 4.36Å; I8-M121 HydrophobicContact CG1-SD 4.38Å
9G88.4Confident91.2Very high7 Ų728.2 Ų28.27%0.07215%0.151CC..  trans115.9104.6179.400000112.8G11 G14 F39G9-G11 VanDerWaalsContact C-N 3.29Å; G9-G11 PolarHBondContact O-N 3.27Å; G9-G14 WeakPolarHBondContact O-CA 3.22Å; G9-F39 PolarHBondContact N-O 2.79Å
10A88Confident91.5Very high6 Ų627.1 Ų27.15%0.0515%0.145CC..  trans-9331.4175.900000113.3T15 L38 F39 D40 N58 Y61A10-T15 PolarHBondContact O-OG1 3.01Å; A10-L38 HydrophobicContact CB-CD1 4.12Å; A10-L38 HydrophobicContact CB-CD2 3.82Å; A10-L38 HydrophobicContact CB-CG 3.91Å; A10-F39 PolarHBondContact N-O 3Å; A10-D40 HydrophobicContact CB-CB 3.6Å; A10-N58 PolarHBondContact O-ND2 2.88Å; A10-Y61 WeakPolarHBondContact O-CD2 3.42Å
11G86.2Confident91.7Very high25 Ų2525.8 Ų25.826%0.25814%0.138SC..SBendtrans-70.9-177.1168.400000111.8G9 W13 G14 T15G9-G11 VanDerWaalsContact C-N 3.29Å; G9-G11 PolarHBondContact O-N 3.27Å; G11-W13 VanDerWaalsContact C-N 3.29Å; G11-W13 PolarHBondContact O-N 3.26Å; G11-G14 PolarHBondContact O-N 2.96Å; G11-T15 VanDerWaalsContact O-CB 3.24Å; G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.43Å; G11-T15 PolarHBondContact O-OG1 2.79Å
12S87.3Confident92.8Very high49 Ų4914.1 Ų14.134%0.3438%0.08SC..Hα-helixtrans-56.1-44.7-179.1-49.30000111.8A16 Y61S12-A16 WeakPolarHBondContact O-CB 3.2Å; S12-A16 PolarHBondContact O-N 2.95Å; S12-Y61 VanDerWaalsContact CB-O 3.25Å; S12-Y61 WeakPolarHBondContact CB-O 3.49Å; S12-Y61 PolarHBondContact OG-O 2.88Å
13W91.1Very high93Very high44 Ų4416.8 Ų16.817%0.1679%0.088CC..Hα-helixtrans-71.2-49.2-177.9-175-121.3000113.1G11 T15 A16 L17 T134 L183 N187 A189 V192 F222G11-W13 VanDerWaalsContact C-N 3.29Å; G11-W13 PolarHBondContact O-N 3.26Å; W13-T15 VanDerWaalsContact C-N 3.26Å; W13-T15 PolarHBondContact O-N 2.86Å; W13-A16 HydrophobicContact CE3-CB 4.33Å; W13-A16 PolarHBondContact O-N 3Å; W13-A16 VanDerWaalsContact O-N 3.17Å; W13-L17 HydrophobicContact CD2-CG 4.29Å; W13-L17 HydrophobicContact CH2-CD2 3.94Å; W13-L17 HydrophobicContact CH2-CG 4.48Å; W13-L17 HydrophobicContact CZ2-CD1 4.24Å; W13-L17 HydrophobicContact CZ2-CD2 3.56Å; W13-L17 HydrophobicContact CZ2-CG 3.96Å; W13-L17 WeakPolarHBondContact O-CG 3.12Å; W13-L17 PolarHBondContact O-N 3.34Å; W13-T134 PolarHBondContact NE1-OG1 3.14Å; W13-T134 VanDerWaalsContact NE1-OG1 3.11Å; W13-L183 HydrophobicContact CZ2-CD2 3.99Å; W13-N187 HydrophobicContact CH2-CB 3.76Å; W13-N187 WeakPolarHBondContact CH2-ND2 3.32Å; W13-N187 WeakPolarHBondContact CZ2-ND2 2.77Å; W13-N187 HydrophobicContact CZ3-CB 4.15Å; W13-A189 HydrophobicContact CB-CB 4.46Å; W13-A189 HydrophobicContact CE3-CB 3.81Å; W13-V192 HydrophobicContact CH2-CB 4.45Å; W13-V192 HydrophobicContact CH2-CG1 4.28Å; W13-V192 HydrophobicContact CH2-CG2 3.97Å; W13-V192 HydrophobicContact CZ3-CB 3.95Å; W13-V192 HydrophobicContact CZ3-CG1 4.11Å; W13-V192 HydrophobicContact CZ3-CG2 3.73Å; W13-F222 HydrophobicContact CH2-CZ 4.15Å
14G92.3Very high93.1Very high0 Ų012.2 Ų12.20%07%0.071CC..Hα-helixtrans-61.4-36.4177.100000112.7G9 G11 L17 T18 A108G9-G14 WeakPolarHBondContact O-CA 3.22Å; G11-G14 PolarHBondContact O-N 2.96Å; G14-L17 PolarHBondContact O-N 3.24Å; G14-T18 WeakPolarHBondContact O-CG2 3.38Å; G14-T18 PolarHBondContact O-N 3.22Å; G14-A108 VanDerWaalsContact CA-CB 3.5Å
15T91.7Very high93.2Very high0 Ų011 Ų110%07%0.066CC..Hα-helixtrans-66.8-44173.6-54.40000112A10 G11 W13 L17 T18 V19 N58 L62 L67A10-T15 PolarHBondContact O-OG1 3.01Å; G11-T15 VanDerWaalsContact O-CB 3.24Å; G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.43Å; G11-T15 PolarHBondContact O-OG1 2.79Å; W13-T15 VanDerWaalsContact C-N 3.26Å; W13-T15 PolarHBondContact O-N 2.86Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 3.09Å; T15-T18 PolarHBondContact O-N 3.46Å; T15-T18 VanDerWaalsContact O-N 3.13Å; T15-T18 PolarHBondContact O-OG1 2.73Å; T15-V19 PolarHBondContact O-N 2.61Å; T15-N58 HydrophobicContact CG2-CB 3.62Å; T15-N58 PolarHBondContact OG1-ND2 3.26Å; T15-L62 HydrophobicContact CG2-CB 4.04Å; T15-L62 HydrophobicContact CG2-CD2 3.7Å; T15-L67 HydrophobicContact CG2-CD1 4.18Å; T15-L67 HydrophobicContact CG2-CD2 3.68Å
16A94.3Very high93.2Very high0 Ų012.7 Ų12.70%08%0.079CC..Hα-helixtrans-60.1-41.9175.800000111.4S12 W13 T18 V19 L62 A189 A193S12-A16 WeakPolarHBondContact O-CB 3.2Å; S12-A16 PolarHBondContact O-N 2.95Å; W13-A16 HydrophobicContact CE3-CB 4.33Å; W13-A16 PolarHBondContact O-N 3Å; W13-A16 VanDerWaalsContact O-N 3.17Å; A16-T18 VanDerWaalsContact C-N 3.32Å; A16-T18 PolarHBondContact O-N 3.36Å; A16-V19 WeakPolarHBondContact O-CB 3.17Å; A16-V19 PolarHBondContact O-N 3.1Å; A16-L62 HydrophobicContact CB-CD2 4.23Å; A16-A189 HydrophobicContact CB-CB 4.17Å; A16-A189 VanDerWaalsContact CB-O 3.22Å; A16-A189 WeakPolarHBondContact CB-O 3.31Å; A16-A193 HydrophobicContact CB-CB 4.02Å
17L95.3Very high93.2Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-60.8-40.2174.4-70.6177.2000111.9W13 G14 T15 V19 I20 L21 V106 A108 T134 F217W13-L17 HydrophobicContact CD2-CG 4.29Å; W13-L17 HydrophobicContact CH2-CD2 3.94Å; W13-L17 HydrophobicContact CH2-CG 4.48Å; W13-L17 HydrophobicContact CZ2-CD1 4.24Å; W13-L17 HydrophobicContact CZ2-CD2 3.56Å; W13-L17 HydrophobicContact CZ2-CG 3.96Å; W13-L17 WeakPolarHBondContact O-CG 3.12Å; W13-L17 PolarHBondContact O-N 3.34Å; G14-L17 PolarHBondContact O-N 3.24Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 3.09Å; L17-V19 PolarHBondContact O-N 3.27Å; L17-I20 WeakPolarHBondContact O-CB 3.49Å; L17-I20 PolarHBondContact O-N 2.84Å; L17-I20 VanDerWaalsContact O-N 3.08Å; L17-L21 HydrophobicContact CB-CD1 4.32Å; L17-L21 WeakPolarHBondContact O-CG 3.5Å; L17-L21 PolarHBondContact O-N 3.46Å; L17-V106 HydrophobicContact CD1-CG1 4.16Å; L17-A108 HydrophobicContact CD1-CB 4.32Å; L17-T134 HydrophobicContact CD1-CG2 3.72Å; L17-F217 HydrophobicContact CD1-CE1 4.4Å; L17-F217 HydrophobicContact CD2-CD1 4.12Å; L17-F217 HydrophobicContact CD2-CE1 3.95Å
18T94.8Very high93.4Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-63.4-24.7178.656.20000114.2V7 G14 T15 A16 G22 V36 L38 V71V7-T18 HydrophobicContact CB-CG2 4.03Å; V7-T18 HydrophobicContact CG1-CG2 4.26Å; V7-T18 HydrophobicContact CG2-CG2 3.7Å; G14-T18 WeakPolarHBondContact O-CG2 3.38Å; G14-T18 PolarHBondContact O-N 3.22Å; T15-T18 PolarHBondContact O-N 3.46Å; T15-T18 VanDerWaalsContact O-N 3.13Å; T15-T18 PolarHBondContact O-OG1 2.73Å; A16-T18 VanDerWaalsContact C-N 3.32Å; A16-T18 PolarHBondContact O-N 3.36Å; T18-G22 PolarHBondContact O-N 3.28Å; T18-V36 HydrophobicContact CG2-CG1 4.12Å; T18-L38 HydrophobicContact CG2-CB 4.22Å; T18-L38 HydrophobicContact CG2-CD1 3.87Å; T18-L38 HydrophobicContact CG2-CD2 4.29Å; T18-L38 HydrophobicContact CG2-CG 4.34Å; T18-V71 HydrophobicContact CG2-CG1 3.84Å; T18-V71 WeakPolarHBondContact O-CG2 3.23Å
19V95.2Very high93.5Very high7 Ų729.2 Ų29.24%0.04215%0.146CC..Hα-helixtrans-61-50.4172177.50000109.6T15 A16 L17 E23 I65 L67T15-V19 PolarHBondContact O-N 2.61Å; A16-V19 WeakPolarHBondContact O-CB 3.17Å; A16-V19 PolarHBondContact O-N 3.1Å; L17-V19 PolarHBondContact O-N 3.27Å; V19-E23 WeakPolarHBondContact O-CG 3.17Å; V19-E23 PolarHBondContact O-N 3.34Å; V19-I65 HydrophobicContact CG2-CG2 3.91Å; V19-L67 HydrophobicContact CG2-CD2 3.61Å
20I96.6Very high93.8Very high7 Ų735.1 Ų35.14%0.03617%0.172CC..Hα-helixtrans-63-50.1177.4-72164.3000111.2L17 G22 E23 N24 V192 F217 T219 F222L17-I20 WeakPolarHBondContact O-CB 3.49Å; L17-I20 PolarHBondContact O-N 2.84Å; L17-I20 VanDerWaalsContact O-N 3.08Å; I20-G22 PolarHBondContact O-N 2.82Å; I20-E23 PolarHBondContact O-N 3.42Å; I20-N24 WeakPolarHBondContact O-CB 3.48Å; I20-N24 PolarHBondContact O-N 2.9Å; I20-V192 HydrophobicContact CD1-CG1 3.37Å; I20-V192 HydrophobicContact CG1-CG1 4.47Å; I20-F217 WeakPolarHBondContact CG2-O 3.28Å; I20-T219 HydrophobicContact CB-CG2 4.3Å; I20-T219 HydrophobicContact CG1-CG2 4Å; I20-T219 HydrophobicContact CG2-CG2 3.69Å; I20-F222 HydrophobicContact CD1-CB 4.05Å; I20-F222 HydrophobicContact CD1-CD1 3.5Å; I20-F222 HydrophobicContact CD1-CE1 4.07Å; I20-F222 HydrophobicContact CD1-CG 3.86Å
21L97.1Very high94.1Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-63.3-43.8-175.2-62.6171.8000110.7V5 V7 L17 E23 N24 V25 V36 V106 L216 F217V5-L21 HydrophobicContact CG1-CD1 4.32Å; V7-L21 HydrophobicContact CG2-CD1 3.44Å; V7-L21 VanDerWaalsContact CG2-CD1 3.44Å; L17-L21 HydrophobicContact CB-CD1 4.32Å; L17-L21 WeakPolarHBondContact O-CG 3.5Å; L17-L21 PolarHBondContact O-N 3.46Å; L21-E23 VanDerWaalsContact C-N 3.33Å; L21-E23 PolarHBondContact O-N 3.35Å; L21-N24 PolarHBondContact O-N 2.83Å; L21-V25 WeakPolarHBondContact O-CG1 3.37Å; L21-V25 WeakPolarHBondContact O-CG2 3.43Å; L21-V25 PolarHBondContact O-N 3.23Å; L21-V36 HydrophobicContact CB-CG1 4.32Å; L21-V36 HydrophobicContact CB-CG2 3.92Å; L21-V106 HydrophobicContact CD1-CG2 4.17Å; L21-L216 HydrophobicContact CD2-CD1 3.63Å; L21-L216 HydrophobicContact CD2-CD2 3.92Å; L21-L216 HydrophobicContact CD2-CG 3.41Å; L21-L216 VanDerWaalsContact CD2-CG 3.41Å; L21-F217 HydrophobicContact CD1-CE1 4.39Å; L21-F217 HydrophobicContact CD2-CD1 3.95Å; L21-F217 HydrophobicContact CD2-CE1 3.75Å; L21-F217 HydrophobicContact CD2-CE2 4.43Å; L21-F217 HydrophobicContact CD2-CG 4.4Å; L21-F217 HydrophobicContact CD2-CZ 4Å; L21-F217 HydrophobicContact CG-CE1 4.34Å
22G95.1Very high94.6Very high0 Ų035.6 Ų35.60%017%0.167CC..Hα-helixtrans-58.4-44177.600000112.3T18 I20 A26 N70T18-G22 PolarHBondContact O-N 3.28Å; I20-G22 PolarHBondContact O-N 2.82Å; G22-A26 WeakPolarHBondContact O-CB 3.34Å; G22-A26 PolarHBondContact O-N 2.74Å; G22-N70 PolarHBondContact O-ND2 3.3Å
23E95.7Very high94.9Very high76 Ų7634.3 Ų34.336%0.35516%0.158SC..Hα-helixtrans-64.5-45.4176-70.4179.4-174.800112V19 I20 L21 A26 K27 P68 K195V19-E23 WeakPolarHBondContact O-CG 3.17Å; V19-E23 PolarHBondContact O-N 3.34Å; I20-E23 PolarHBondContact O-N 3.42Å; L21-E23 VanDerWaalsContact C-N 3.33Å; L21-E23 PolarHBondContact O-N 3.35Å; E23-A26 PolarHBondContact O-N 2.89Å; E23-K27 WeakPolarHBondContact O-CB 3.31Å; E23-K27 PolarHBondContact O-N 2.93Å; E23-K27 VanDerWaalsContact O-N 3.1Å; E23-P68 HydrophobicContact CG-CG 4.19Å; E23-K195 VanDerWaalsContact CD-NZ 3.28Å; E23-K195 WeakPolarHBondContact OE1-CE 3.49Å; E23-K195 IonicContact OE1-NZ 3.69Å; E23-K195 PolarHBondContact OE1-NZ 3.39Å; E23-K195 IonicContact OE2-NZ 2.88Å; E23-K195 PolarHBondContact OE2-NZ 3.32Å; E23-K195 VanDerWaalsContact OE2-NZ 3.16Å
24N97.7Very high94.8Very high9 Ų935 Ų355%0.04817%0.169CC..Hα-helixtrans-72.5-39.7-175.7-80.4-20000113.3I20 L21 A26 K27 Y28 L216 Q218I20-N24 WeakPolarHBondContact O-CB 3.48Å; I20-N24 PolarHBondContact O-N 2.9Å; L21-N24 PolarHBondContact O-N 2.83Å; N24-A26 VanDerWaalsContact C-N 3.27Å; N24-A26 PolarHBondContact O-N 3.03Å; N24-K27 PolarHBondContact O-N 3.07Å; N24-Y28 HydrophobicContact CB-CD2 4.32Å; N24-Y28 HydrophobicContact CB-CE2 4.4Å; N24-Y28 VanDerWaalsContact O-CD2 3.24Å; N24-Y28 WeakPolarHBondContact O-CD2 3.43Å; N24-Y28 PolarHBondContact O-N 2.77Å; N24-L216 WeakPolarHBondContact CB-O 3.39Å; N24-L216 PolarHBondContact ND2-O 2.77Å; N24-Q218 PolarHBondContact ND2-O 2.94Å; N24-Q218 PolarHBondContact OD1-O 3.01Å
25V96.2Very high94.5Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-68.3-30.5175.7-570000111.9V5 L21 K27 F32 S33 V36 N70 L216V5-V25 HydrophobicContact CG2-CG1 3.98Å; L21-V25 WeakPolarHBondContact O-CG1 3.37Å; L21-V25 WeakPolarHBondContact O-CG2 3.43Å; L21-V25 PolarHBondContact O-N 3.23Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-F32 HydrophobicContact CB-CB 3.83Å; V25-F32 HydrophobicContact CG1-CB 3.71Å; V25-F32 HydrophobicContact CG1-CD2 4.48Å; V25-F32 HydrophobicContact CG1-CG 4.02Å; V25-S33 WeakPolarHBondContact CB-O 3.29Å; V25-V36 HydrophobicContact CG1-CG2 4.06Å; V25-V36 HydrophobicContact CG2-CG2 3.67Å; V25-N70 WeakPolarHBondContact CG2-ND2 3.39Å; V25-L216 HydrophobicContact CG1-CD1 3.73Å
26A94.5Very high94.3Very high35 Ų3537 Ų3729%0.28918%0.18SC..Hα-helixtrans-69.7-31.117400000112.3G22 E23 N24 R29G22-A26 WeakPolarHBondContact O-CB 3.34Å; G22-A26 PolarHBondContact O-N 2.74Å; E23-A26 PolarHBondContact O-N 2.89Å; N24-A26 VanDerWaalsContact C-N 3.27Å; N24-A26 PolarHBondContact O-N 3.03Å; A26-R29 VanDerWaalsContact O-CG 3.28Å; A26-R29 WeakPolarHBondContact O-CG 3.29Å; A26-R29 PolarHBondContact O-NE 3.31Å
27K95.6Very high93.9Very high136 Ų13638 Ų3859%0.59118%0.184SC*.Hα-helixtrans-78.2-41.6178-176.1-177.2177.2-167.90113E23 N24 V25E23-K27 WeakPolarHBondContact O-CB 3.31Å; E23-K27 PolarHBondContact O-N 2.93Å; E23-K27 VanDerWaalsContact O-N 3.1Å; N24-K27 PolarHBondContact O-N 3.07Å; V25-K27 VanDerWaalsContact C-N 3.31Å
28Y96.3Very high93.4Very high48 Ų4838.1 Ų38.119%0.18819%0.185CC..  trans-110.559.8-173.3-54.5-60.5000111.7N24 E30 D31 F32 K215N24-Y28 HydrophobicContact CB-CD2 4.32Å; N24-Y28 HydrophobicContact CB-CE2 4.4Å; N24-Y28 VanDerWaalsContact O-CD2 3.24Å; N24-Y28 WeakPolarHBondContact O-CD2 3.43Å; N24-Y28 PolarHBondContact O-N 2.77Å; Y28-E30 PolarHBondContact O-N 2.91Å; Y28-D31 PolarHBondContact O-N 3.39Å; Y28-D31 VanDerWaalsContact O-N 3.09Å; Y28-F32 HydrophobicContact CD2-CE2 4.48Å; Y28-F32 PolarHBondContact O-N 3.23Å; Y28-F32 VanDerWaalsContact O-N 3.1Å; Y28-K215 HydrophobicContact CD1-CD 4.41Å; Y28-K215 HydrophobicContact CD2-CD 4.43Å; Y28-K215 HydrophobicContact CD2-CG 3.8Å; Y28-K215 HydrophobicContact CE2-CG 3.81Å; Y28-K215 WeakPolarHBondContact CE2-O 3.19Å; Y28-K215 HydrophobicContact CG-CD 4.28Å; Y28-K215 HydrophobicContact CG-CG 4.16Å
29R93.1Very high92.8Very high165 Ų16539.1 Ų39.162%0.62319%0.189SC*.THydrogen-bonded Turntrans-68.8-19.9-171.2-62-172-178.9-157.4-1.5114A26 D31A26-R29 VanDerWaalsContact O-CG 3.28Å; A26-R29 WeakPolarHBondContact O-CG 3.29Å; A26-R29 PolarHBondContact O-NE 3.31Å; R29-D31 VanDerWaalsContact C-N 3.29Å
30E94.8Very high92.1Very high131 Ų13139.4 Ų39.461%0.61219%0.19SC*.THydrogen-bonded Turntrans-67.4-31172.561.3-75.7170.400112.5Y28 K215Y28-E30 PolarHBondContact O-N 2.91Å; E30-K215 IonicContact OE1-NZ 3.72Å; E30-K215 PolarHBondContact OE1-NZ 3.3Å
31D96Very high90.8Very high41 Ų4143.9 Ų43.922%0.21921%0.211CC..THydrogen-bonded Turntrans-99.8-30.1-176.5-74.7-50.6000113.7R3 Y28 R29 I212 K215R3-D31 PolarHBondContact N-O 2.74Å; R3-D31 IonicContact NH1-OD1 2.85Å; Y28-D31 PolarHBondContact O-N 3.39Å; Y28-D31 VanDerWaalsContact O-N 3.09Å; R29-D31 VanDerWaalsContact C-N 3.29Å; D31-I212 HydrophobicContact CB-CD1 4.11Å; D31-K215 VanDerWaalsContact OD2-CE 3.31Å; D31-K215 WeakPolarHBondContact OD2-CE 3.36Å; D31-K215 IonicContact OD2-NZ 3.28Å; D31-K215 PolarHBondContact OD2-NZ 2.83Å
32F96.8Very high89.4Confident0 Ų050.2 Ų50.20%024%0.239CC..EExtended strand (participates in β ladder)trans-126.7147.4-172.5-54.4-74000112.5R3 V5 V25 Y28 I104 I212 K215 L216R3-F32 HydrophobicContact CB-CD1 4.11Å; R3-F32 WeakPolarHBondContact O-CA 3.4Å; V5-F32 HydrophobicContact CG2-CD1 4.08Å; V25-F32 HydrophobicContact CB-CB 3.83Å; V25-F32 HydrophobicContact CG1-CB 3.71Å; V25-F32 HydrophobicContact CG1-CD2 4.48Å; V25-F32 HydrophobicContact CG1-CG 4.02Å; Y28-F32 HydrophobicContact CD2-CE2 4.48Å; Y28-F32 PolarHBondContact O-N 3.23Å; Y28-F32 VanDerWaalsContact O-N 3.1Å; F32-I104 HydrophobicContact CD1-CD1 4.34Å; F32-I104 HydrophobicContact CE1-CD1 3.77Å; F32-I212 HydrophobicContact CE1-CD1 3.7Å; F32-I212 HydrophobicContact CE1-CG1 3.76Å; F32-I212 HydrophobicContact CE2-CD1 4.18Å; F32-I212 HydrophobicContact CZ-CD1 3.36Å; F32-I212 HydrophobicContact CZ-CG1 3.75Å; F32-K215 HydrophobicContact CE2-CG 4.38Å; F32-L216 HydrophobicContact CD1-CD1 4.18Å; F32-L216 HydrophobicContact CE1-CB 4.06Å; F32-L216 HydrophobicContact CE1-CD1 3.98Å; F32-L216 HydrophobicContact CE1-CD2 4.32Å; F32-L216 HydrophobicContact CE1-CG 4.33Å; F32-L216 HydrophobicContact CE2-CB 4.43Å; F32-L216 HydrophobicContact CE2-CD1 4.39Å; F32-L216 HydrophobicContact CG-CD1 4.47Å; F32-L216 HydrophobicContact CZ-CB 3.71Å; F32-L216 HydrophobicContact CZ-CD1 4.09Å; F32-L216 HydrophobicContact CZ-CG 4.38Å
33S93.1Very high87.5Confident22 Ų2253 Ų5315%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-59.5138.2164.5-179.60000108.9R3 Q4 V25 T35R3-S33 PolarHBondContact O-N 3.04Å; Q4-S33 VanDerWaalsContact OE1-CB 3.25Å; Q4-S33 PolarHBondContact OE1-OG 3.1Å; V25-S33 WeakPolarHBondContact CB-O 3.29Å; S33-T35 PolarHBondContact O-N 2.9Å
34P88.1Confident85.6Confident59 Ų5956.7 Ų56.738%0.38328%0.278SS..EExtended strand (participates in β ladder)trans-68.6-5.5-173.829.6-37.1000113.6N70P34-N70 VanDerWaalsContact O-CB 3.27Å; P34-N70 WeakPolarHBondContact O-CB 3.43Å; P34-N70 PolarHBondContact O-ND2 3.43Å
35T87Confident84Confident40 Ų4059.2 Ų59.225%0.24531%0.306CS..EExtended strand (participates in β ladder)trans-110.6140.1-177.7-58.80000111.1Q4 S33 N70 V72Q4-T35 PolarHBondContact NE2-O 3.5Å; S33-T35 PolarHBondContact O-N 2.9Å; T35-N70 WeakPolarHBondContact CA-O 3.41Å; T35-V72 HydrophobicContact CG2-CB 4.17Å; T35-V72 HydrophobicContact CG2-CG2 3.78Å
36V86Confident82.4Confident0 Ų067.1 Ų67.10%034%0.341CS..EExtended strand (participates in β ladder)trans-107.5126.2166.5-178.70000108.5V5 V7 T18 L21 V25 N70 V71 V72V5-V36 HydrophobicContact CG1-CG1 4.34Å; V7-V36 HydrophobicContact CG2-CG1 3.81Å; T18-V36 HydrophobicContact CG2-CG1 4.12Å; L21-V36 HydrophobicContact CB-CG1 4.32Å; L21-V36 HydrophobicContact CB-CG2 3.92Å; V25-V36 HydrophobicContact CG1-CG2 4.06Å; V25-V36 HydrophobicContact CG2-CG2 3.67Å; V36-N70 PolarHBondContact N-O 3.36Å; V36-V71 HydrophobicContact CB-CG1 4.34Å; V36-V71 HydrophobicContact CB-CG2 4.42Å; V36-V71 HydrophobicContact CG1-CG1 4.45Å; V36-V71 CarbonylContact O-C 3.57Å; V36-V71 WeakPolarHBondContact O-CA 3.35Å; V36-V72 PolarHBondContact O-N 3.42Å
37W87.3Confident81.2Confident22 Ų2267.1 Ų67.18%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-88.1131.4173.7-6468000109.2V5 V6 V7 V72 V90 K93V5-W37 PolarHBondContact O-N 3.38Å; V5-W37 VanDerWaalsContact O-N 3.17Å; V6-W37 HydrophobicContact CB-CB 4.42Å; V6-W37 HydrophobicContact CG1-CB 4.19Å; V6-W37 HydrophobicContact CG2-CB 4.08Å; V6-W37 HydrophobicContact CG2-CG 4.37Å; V7-W37 PolarHBondContact N-O 3.4Å; W37-V72 CarbonylContact C-O 3.47Å; W37-V72 WeakPolarHBondContact CA-O 3.28Å; W37-V90 HydrophobicContact CH2-CG1 3.66Å; W37-V90 HydrophobicContact CZ3-CG1 4.04Å; W37-K93 HydrophobicContact CD2-CD 4.08Å; W37-K93 HydrophobicContact CE3-CB 4.28Å; W37-K93 HydrophobicContact CE3-CD 3.56Å; W37-K93 HydrophobicContact CE3-CG 3.99Å; W37-K93 HydrophobicContact CH2-CD 3.64Å; W37-K93 HydrophobicContact CH2-CG 3.93Å; W37-K93 HydrophobicContact CZ2-CD 4.16Å; W37-K93 VanDerWaalsContact CZ2-CE 3.43Å; W37-K93 HydrophobicContact CZ3-CB 4.04Å; W37-K93 HydrophobicContact CZ3-CD 3.33Å; W37-K93 VanDerWaalsContact CZ3-CE 3.44Å; W37-K93 HydrophobicContact CZ3-CG 3.42Å; W37-K93 VanDerWaalsContact CZ3-CG 3.42Å
38L85Confident80.2Confident2 Ų262.1 Ų62.11%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-112.2114171.3-178.160.2000109.3V7 A10 T18 F52 V71 V72 G73 N74V7-L38 HydrophobicContact CB-CD1 3.81Å; V7-L38 HydrophobicContact CG1-CD1 3.71Å; A10-L38 HydrophobicContact CB-CD1 4.12Å; A10-L38 HydrophobicContact CB-CD2 3.82Å; A10-L38 HydrophobicContact CB-CG 3.91Å; T18-L38 HydrophobicContact CG2-CB 4.22Å; T18-L38 HydrophobicContact CG2-CD1 3.87Å; T18-L38 HydrophobicContact CG2-CD2 4.29Å; T18-L38 HydrophobicContact CG2-CG 4.34Å; L38-F52 HydrophobicContact CB-CE2 4.39Å; L38-F52 HydrophobicContact CB-CZ 4.3Å; L38-F52 HydrophobicContact CD2-CD2 3.94Å; L38-F52 HydrophobicContact CD2-CE2 3.32Å; L38-F52 HydrophobicContact CD2-CZ 4.05Å; L38-F52 HydrophobicContact CG-CE2 4.42Å; L38-V71 HydrophobicContact CB-CG1 4.17Å; L38-V72 PolarHBondContact N-O 2.85Å; L38-G73 VanDerWaalsContact O-CA 3.3Å; L38-G73 WeakPolarHBondContact O-CA 3.37Å; L38-N74 PolarHBondContact O-N 2.98Å; L38-N74 PolarHBondContact O-OD1 3.49Å
39F82.5Confident79.2Confident21 Ų2160 Ų609%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-87.9118.8174.4-178.4-94.7000110.4V7 I8 G9 A10 E41 N74 I95V7-F39 PolarHBondContact O-N 2.85Å; I8-F39 HydrophobicContact CD1-CB 3.78Å; I8-F39 HydrophobicContact CD1-CG 4.27Å; I8-F39 HydrophobicContact CG2-CD1 4.22Å; G9-F39 PolarHBondContact N-O 2.79Å; A10-F39 PolarHBondContact N-O 3Å; F39-E41 HydrophobicContact CE1-CB 4.12Å; F39-N74 WeakPolarHBondContact CA-OD1 3.46Å; F39-N74 HydrophobicContact CD2-CB 4.13Å; F39-N74 WeakPolarHBondContact CD2-ND2 3.13Å; F39-N74 WeakPolarHBondContact CE2-ND2 3.28Å; F39-I95 HydrophobicContact CD1-CD1 4.38Å; F39-I95 HydrophobicContact CD1-CG1 4.35Å; F39-I95 HydrophobicContact CD2-CB 4.36Å; F39-I95 HydrophobicContact CE1-CB 4.2Å; F39-I95 HydrophobicContact CE1-CD1 4.02Å; F39-I95 HydrophobicContact CE1-CG1 4.14Å; F39-I95 HydrophobicContact CE2-CB 3.78Å; F39-I95 HydrophobicContact CE2-CG1 4.33Å; F39-I95 HydrophobicContact CZ-CB 3.7Å; F39-I95 HydrophobicContact CZ-CD1 4.36Å; F39-I95 HydrophobicContact CZ-CG1 4.14Å
40D80.4Confident78.1Confident13 Ų1358.4 Ų58.47%0.0731%0.31CS..  trans-106.7128.4170.1-179.348.9000110A10 L48 V49 N74A10-D40 HydrophobicContact CB-CB 3.6Å; D40-L48 WeakPolarHBondContact OD2-CB 3.34Å; D40-L48 PolarHBondContact OD2-N 3.12Å; D40-V49 HydrophobicContact CB-CG2 3.76Å; D40-N74 PolarHBondContact N-OD1 2.88Å; D40-N74 PolarHBondContact O-ND2 3.32Å
41E67.9Low77Confident102 Ų10254.6 Ų54.648%0.47730%0.295SS..  trans-88138.3176.3-162.2170.7-167.100109.1F39 V43F39-E41 HydrophobicContact CE1-CB 4.12Å; E41-V43 PolarHBondContact O-N 3.08Å; E41-V43 VanDerWaalsContact O-N 3.17Å
42K69.2Low76Confident132 Ų13253 Ų5357%0.57429%0.286SS*.  trans-62.6121.1-179.3-71.5-177.1-179.7-1790110
43V54.8Low75.2Confident60 Ų6054.7 Ų54.736%0.36430%0.295SS..BIsolated β-bridgetrans-106125.8170.2-176.10000108.1E41 G45 K46E41-V43 PolarHBondContact O-N 3.08Å; E41-V43 VanDerWaalsContact O-N 3.17Å; V43-G45 PolarHBondContact O-N 3.36Å; V43-K46 PolarHBondContact N-O 3.41Å; V43-K46 PolarHBondContact O-N 3.43Å
44D56.1Low74.7Confident153 Ų15357.6 Ų57.682%0.81832%0.321SS*.THydrogen-bonded Turntrans53.837.2-175.9-52.3-41.7000113.4K46D44-K46 PolarHBondContact O-N 2.89Å; D44-K46 VanDerWaalsContact O-N 3.14Å
45G63.5Low74.5Confident62 Ų6260.4 Ų60.464%0.63933%0.327SS*.THydrogen-bonded Turntrans74.1-5-179.200000115.2V43V43-G45 PolarHBondContact O-N 3.36Å
46K62.6Low74.5Confident166 Ų16660.7 Ų60.772%0.72233%0.325SS*.BIsolated β-bridgetrans-101.2121.8179.2-68-179.6-179.3176.60110.2V43 D44V43-K46 PolarHBondContact N-O 3.41Å; V43-K46 PolarHBondContact O-N 3.43Å; D44-K46 PolarHBondContact O-N 2.89Å; D44-K46 VanDerWaalsContact O-N 3.14Å
47S69.2Low74.7Confident34 Ų3461.8 Ų61.824%0.23833%0.331CS..  trans-86.1137.9165.9178.50000108.8V49S47-V49 WeakPolarHBondContact OG-CB 3.39Å; S47-V49 WeakPolarHBondContact OG-CG2 3.41Å; S47-V49 PolarHBondContact OG-N 2.96Å; S47-V49 VanDerWaalsContact OG-N 3.17Å
48L74.3Confident74.7Confident32 Ų3261 Ų6117%0.16833%0.328CS..SBendtrans-81.9-6.6172.6-62.2174.2000112.1D40 E50 T51 F52 K60 Y61D40-L48 WeakPolarHBondContact OD2-CB 3.34Å; D40-L48 PolarHBondContact OD2-N 3.12Å; L48-E50 VanDerWaalsContact C-N 3.33Å; L48-E50 PolarHBondContact O-N 2.76Å; L48-T51 PolarHBondContact O-N 2.92Å; L48-T51 VanDerWaalsContact O-N 3.1Å; L48-F52 VanDerWaalsContact O-CB 3.28Å; L48-F52 WeakPolarHBondContact O-CB 3.09Å; L48-F52 PolarHBondContact O-N 3.19Å; L48-K60 HydrophobicContact CD1-CB 3.88Å; L48-K60 HydrophobicContact CD1-CD 4Å; L48-K60 HydrophobicContact CD2-CB 4.19Å; L48-K60 HydrophobicContact CD2-CD 4.32Å; L48-Y61 HydrophobicContact CD1-CD2 3.59Å; L48-Y61 HydrophobicContact CD1-CE2 3.42Å; L48-Y61 VanDerWaalsContact CD1-CE2 3.42Å
49V75.8Confident74.7Confident2 Ų263.7 Ų63.71%0.01234%0.344CS..Hα-helixtrans-59.7-40.9-171.3177.10000112.8D40 S47 T51 F52 N53 G73 N74D40-V49 HydrophobicContact CB-CG2 3.76Å; S47-V49 WeakPolarHBondContact OG-CB 3.39Å; S47-V49 WeakPolarHBondContact OG-CG2 3.41Å; S47-V49 PolarHBondContact OG-N 2.96Å; S47-V49 VanDerWaalsContact OG-N 3.17Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 3.1Å; V49-F52 WeakPolarHBondContact O-CB 3.39Å; V49-F52 PolarHBondContact O-N 3.43Å; V49-N53 VanDerWaalsContact CG1-ND2 3.26Å; V49-N53 WeakPolarHBondContact CG1-ND2 3.46Å; V49-N53 WeakPolarHBondContact O-CB 3.46Å; V49-N53 PolarHBondContact O-N 3.06Å; V49-G73 VanDerWaalsContact CG1-C 3.41Å; V49-N74 VanDerWaalsContact CG1-C 3.43Å; V49-N74 WeakPolarHBondContact CG1-O 3.43Å; V49-N74 WeakPolarHBondContact CG2-O 3.42Å; V49-N74 WeakPolarHBondContact CG2-OD1 3.16Å
50E69.9Low74.7Confident133 Ų13367.9 Ų67.962%0.62136%0.362SS*.Hα-helixtrans-63.2-42.9179.1-68.2-179.6-179.300110.9L48 A54L48-E50 VanDerWaalsContact C-N 3.33Å; L48-E50 PolarHBondContact O-N 2.76Å; E50-A54 WeakPolarHBondContact O-CB 3.18Å; E50-A54 PolarHBondContact O-N 3.22Å
51T71.1Confident74.9Confident50 Ų5070.6 Ų70.631%0.30737%0.372SS..Hα-helixtrans-68-41.3176.8-56.40000110.9L48 V49 K55 V59L48-T51 PolarHBondContact O-N 2.92Å; L48-T51 VanDerWaalsContact O-N 3.1Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 3.1Å; T51-K55 HydrophobicContact CG2-CD 3.96Å; T51-K55 HydrophobicContact CG2-CG 4.44Å; T51-K55 WeakPolarHBondContact O-CB 3.41Å; T51-K55 PolarHBondContact O-N 3.37Å; T51-V59 HydrophobicContact CG2-CG1 4.23Å; T51-V59 HydrophobicContact CG2-CG2 3.76Å
52F75.7Confident75.8Confident7 Ų766 Ų663%0.03135%0.351CS..Hα-helixtrans-56.8-52.8176.8168.3-79.3000111.2L38 L48 V49 H56 E57 L67 V71L38-F52 HydrophobicContact CB-CE2 4.39Å; L38-F52 HydrophobicContact CB-CZ 4.3Å; L38-F52 HydrophobicContact CD2-CD2 3.94Å; L38-F52 HydrophobicContact CD2-CE2 3.32Å; L38-F52 HydrophobicContact CD2-CZ 4.05Å; L38-F52 HydrophobicContact CG-CE2 4.42Å; L48-F52 VanDerWaalsContact O-CB 3.28Å; L48-F52 WeakPolarHBondContact O-CB 3.09Å; L48-F52 PolarHBondContact O-N 3.19Å; V49-F52 WeakPolarHBondContact O-CB 3.39Å; V49-F52 PolarHBondContact O-N 3.43Å; F52-H56 WeakPolarHBondContact O-CA 3.24Å; F52-H56 PolarHBondContact O-N 3.33Å; F52-E57 PolarHBondContact O-N 2.68Å; F52-L67 HydrophobicContact CD2-CD1 3.46Å; F52-L67 VanDerWaalsContact CD2-CD1 3.46Å; F52-L67 HydrophobicContact CE2-CD1 2.96Å; F52-L67 HydrophobicContact CE2-CG 4.41Å; F52-L67 HydrophobicContact CZ-CD1 3.64Å; F52-V71 WeakPolarHBondContact CE1-O 3.15Å; F52-V71 HydrophobicContact CE2-CG1 4.35Å; F52-V71 HydrophobicContact CZ-CB 4.03Å; F52-V71 HydrophobicContact CZ-CG1 3.58Å
53N80.6Confident76.8Confident37 Ų3762.8 Ų62.820%0.19834%0.343CS..Hα-helixtrans-73.1-34.1-175.4-78.6-32.7000111.5V49 G73 I75V49-N53 VanDerWaalsContact CG1-ND2 3.26Å; V49-N53 WeakPolarHBondContact CG1-ND2 3.46Å; V49-N53 WeakPolarHBondContact O-CB 3.46Å; V49-N53 PolarHBondContact O-N 3.06Å; N53-G73 PolarHBondContact ND2-O 3.12Å; N53-G73 VanDerWaalsContact ND2-O 3.12Å; N53-G73 PolarHBondContact OD1-N 2.79Å; N53-I75 WeakPolarHBondContact ND2-CG1 3.3Å
54A81.6Confident78.5Confident83 Ų8366.8 Ų66.869%0.68636%0.363SS*.Hα-helixtrans-73.2-40.4179.100000112.9E50E50-A54 WeakPolarHBondContact O-CB 3.18Å; E50-A54 PolarHBondContact O-N 3.22Å
55K84Confident80.3Confident118 Ų11860.5 Ų60.551%0.51333%0.329SS..Hα-helixtrans-101.6-8.9-174.4-61.5-172179.3-177.80114.2T51 E57 V59 K66T51-K55 HydrophobicContact CG2-CD 3.96Å; T51-K55 HydrophobicContact CG2-CG 4.44Å; T51-K55 WeakPolarHBondContact O-CB 3.41Å; T51-K55 PolarHBondContact O-N 3.37Å; K55-E57 HydrophobicContact CB-CB 4.15Å; K55-E57 PolarHBondContact O-N 3.38Å; K55-V59 HydrophobicContact CD-CG1 4.28Å; K55-K66 PolarHBondContact O-NZ 2.87Å
56H88Confident81.7Confident46 Ų4663.6 Ų63.621%0.21333%0.325CS..THydrogen-bonded Turntrans4648.9-165.8-68.7-75.3000111.4F52 L67 H69F52-H56 WeakPolarHBondContact O-CA 3.24Å; F52-H56 PolarHBondContact O-N 3.33Å; H56-L67 HydrophobicContact CB-CB 4.46Å; H56-L67 WeakPolarHBondContact O-CB 3.21Å; H56-L67 PolarHBondContact O-N 3.1Å; H56-H69 AromaticContact CD2-CE1 3.87Å; H56-H69 AromaticContact CD2-ND1 3.33Å; H56-H69 PolarHBondContact CD2-ND1 3.03Å; H56-H69 VanDerWaalsContact CD2-ND1 3.33Å; H56-H69 AromaticContact CE1-ND1 3.81Å; H56-H69 AromaticContact CG-ND1 3.92Å; H56-H69 AromaticContact NE2-ND1 3.2Å; H56-H69 PolarHBondContact NE2-ND1 3.23Å
57E89.2Confident83Confident23 Ų2356 Ų5611%0.10729%0.292CS..SBendtrans-157.3134.9-173.4-178.4177163.800110.8F52 K55 V59 N64 K66F52-E57 PolarHBondContact O-N 2.68Å; K55-E57 HydrophobicContact CB-CB 4.15Å; K55-E57 PolarHBondContact O-N 3.38Å; E57-V59 HydrophobicContact CB-CG1 4.46Å; E57-V59 HydrophobicContact CG-CG1 3.97Å; E57-V59 PolarHBondContact O-N 3.21Å; E57-N64 PolarHBondContact OE1-N 3.33Å; E57-K66 HydrophobicContact CB-CD 4.45Å; E57-K66 IonicContact OE2-NZ 2.66Å; E57-K66 PolarHBondContact OE2-NZ 3.35Å
58N86.7Confident84.1Confident4 Ų455.4 Ų55.42%0.02129%0.288CS..BIsolated β-bridgetrans-91.980.6171.1-168.5-26.7000110.3A10 T15 K60 Y61 L62A10-N58 PolarHBondContact O-ND2 2.88Å; T15-N58 HydrophobicContact CG2-CB 3.62Å; T15-N58 PolarHBondContact OG1-ND2 3.26Å; N58-K60 PolarHBondContact O-N 2.99Å; N58-K60 PolarHBondContact OD1-N 3.41Å; N58-Y61 PolarHBondContact O-N 3.42Å; N58-Y61 PolarHBondContact OD1-N 2.83Å; N58-Y61 VanDerWaalsContact OD1-N 3.09Å; N58-L62 HydrophobicContact CB-CB 4.44Å; N58-L62 CarbonylContact O-C 3.58Å; N58-L62 WeakPolarHBondContact O-CA 3.28Å; N58-L62 PolarHBondContact O-N 2.96Å
59V85.1Confident84.9Confident59 Ų5961.1 Ų61.136%0.35831%0.313SS..THydrogen-bonded Turntrans-57.9-20.7-174.1-620000114.5T51 K55 E57T51-V59 HydrophobicContact CG2-CG1 4.23Å; T51-V59 HydrophobicContact CG2-CG2 3.76Å; K55-V59 HydrophobicContact CD-CG1 4.28Å; E57-V59 HydrophobicContact CB-CG1 4.46Å; E57-V59 HydrophobicContact CG-CG1 3.97Å; E57-V59 PolarHBondContact O-N 3.21Å
60K82.9Confident85.6Confident109 Ų10962.8 Ų62.847%0.47432%0.322SS..THydrogen-bonded Turntrans-88.4-50.6-179.7-174.7-179.6-178.8-173.80112L48 N58L48-K60 HydrophobicContact CD1-CB 3.88Å; L48-K60 HydrophobicContact CD1-CD 4Å; L48-K60 HydrophobicContact CD2-CB 4.19Å; L48-K60 HydrophobicContact CD2-CD 4.32Å; N58-K60 PolarHBondContact O-N 2.99Å; N58-K60 PolarHBondContact OD1-N 3.41Å
61Y84Confident86.4Confident70 Ų7056.4 Ų56.428%0.27529%0.292SS..THydrogen-bonded Turntrans-101.3-19.6-169.3-63.5-67.3000114A10 S12 L48 N58A10-Y61 WeakPolarHBondContact O-CD2 3.42Å; S12-Y61 VanDerWaalsContact CB-O 3.25Å; S12-Y61 WeakPolarHBondContact CB-O 3.49Å; S12-Y61 PolarHBondContact OG-O 2.88Å; L48-Y61 HydrophobicContact CD1-CD2 3.59Å; L48-Y61 HydrophobicContact CD1-CE2 3.42Å; L48-Y61 VanDerWaalsContact CD1-CE2 3.42Å; N58-Y61 PolarHBondContact O-N 3.42Å; N58-Y61 PolarHBondContact OD1-N 2.83Å; N58-Y61 VanDerWaalsContact OD1-N 3.09Å
62L87.5Confident87.1Confident5 Ų555.5 Ų55.53%0.02629%0.286CS..BIsolated β-bridgetrans-150.364.2179.8-162.271.3000110.4T15 A16 N58 I65 L190 A193T15-L62 HydrophobicContact CG2-CB 4.04Å; T15-L62 HydrophobicContact CG2-CD2 3.7Å; A16-L62 HydrophobicContact CB-CD2 4.23Å; N58-L62 HydrophobicContact CB-CB 4.44Å; N58-L62 CarbonylContact O-C 3.58Å; N58-L62 WeakPolarHBondContact O-CA 3.28Å; N58-L62 PolarHBondContact O-N 2.96Å; L62-I65 HydrophobicContact CD1-CG1 4.3Å; L62-I65 HydrophobicContact CD2-CB 3.91Å; L62-I65 HydrophobicContact CD2-CG1 4.04Å; L62-I65 HydrophobicContact CD2-CG2 3.89Å; L62-I65 HydrophobicContact CG-CB 3.91Å; L62-I65 HydrophobicContact CG-CG1 3.72Å; L62-I65 HydrophobicContact CG-CG2 4.44Å; L62-L190 HydrophobicContact CD1-CD1 4.26Å; L62-A193 HydrophobicContact CD1-CB 4.26Å; L62-A193 HydrophobicContact CD2-CB 3.75Å; L62-A193 HydrophobicContact CG-CB 4.42Å
63P89.6Confident87.1Confident65 Ų6555.2 Ų55.242%0.42229%0.285SS..THydrogen-bonded Turntrans-63.4150.9-176.528-35.4000111.8I65P63-I65 PolarHBondContact O-N 3.45Å
64N92.3Very high86.7Confident144 Ų14454.2 Ų54.277%0.7728%0.28SS*.THydrogen-bonded Turntrans66.73.5179.1-49-56.1000115.9E57E57-N64 PolarHBondContact OE1-N 3.33Å
65I92.6Very high85.4Confident21 Ų2153.6 Ų53.611%0.10827%0.265CS..PPolyproline II helixtrans-97.8120171.8-59.9-57000109.4V19 L62 P63 L190 A193 E194V19-I65 HydrophobicContact CG2-CG2 3.91Å; L62-I65 HydrophobicContact CD1-CG1 4.3Å; L62-I65 HydrophobicContact CD2-CB 3.91Å; L62-I65 HydrophobicContact CD2-CG1 4.04Å; L62-I65 HydrophobicContact CD2-CG2 3.89Å; L62-I65 HydrophobicContact CG-CB 3.91Å; L62-I65 HydrophobicContact CG-CG1 3.72Å; L62-I65 HydrophobicContact CG-CG2 4.44Å; P63-I65 PolarHBondContact O-N 3.45Å; I65-L190 HydrophobicContact CD1-CD1 4.34Å; I65-L190 HydrophobicContact CG1-CD1 4.33Å; I65-A193 HydrophobicContact CD1-CB 4.23Å; I65-A193 HydrophobicContact CG1-CB 4Å; I65-A193 HydrophobicContact CG2-CB 3.95Å; I65-E194 HydrophobicContact CD1-CG 3.88Å
66K92.4Very high83.5Confident127 Ų12750.3 Ų50.355%0.55226%0.256SS*.PPolyproline II helixtrans-80.4131.6172.3-68.3-54-172.6-167.80111.3K55 E57K55-K66 PolarHBondContact O-NZ 2.87Å; E57-K66 HydrophobicContact CB-CD 4.45Å; E57-K66 IonicContact OE2-NZ 2.66Å; E57-K66 PolarHBondContact OE2-NZ 3.35Å
67L91.1Very high81.1Confident8 Ų851.4 Ų51.44%0.04226%0.263CS..PPolyproline II helixtrans-89.3145.9176.7-56.5179.1000110.1T15 V19 F52 H56T15-L67 HydrophobicContact CG2-CD1 4.18Å; T15-L67 HydrophobicContact CG2-CD2 3.68Å; V19-L67 HydrophobicContact CG2-CD2 3.61Å; F52-L67 HydrophobicContact CD2-CD1 3.46Å; F52-L67 VanDerWaalsContact CD2-CD1 3.46Å; F52-L67 HydrophobicContact CE2-CD1 2.96Å; F52-L67 HydrophobicContact CE2-CG 4.41Å; F52-L67 HydrophobicContact CZ-CD1 3.64Å; H56-L67 HydrophobicContact CB-CB 4.46Å; H56-L67 WeakPolarHBondContact O-CB 3.21Å; H56-L67 PolarHBondContact O-N 3.1Å
68P91.9Very high78.7Confident21 Ų2153.7 Ų53.714%0.13629%0.286CS..PPolyproline II helixtrans-56.3141.5171.6-23.833.4000111.4E23 N70 V71E23-P68 HydrophobicContact CG-CG 4.19Å; P68-N70 WeakPolarHBondContact CB-OD1 3.45Å; P68-N70 PolarHBondContact O-N 3.31Å; P68-V71 HydrophobicContact CB-CG2 4.08Å; P68-V71 HydrophobicContact CG-CG2 4.21Å; P68-V71 PolarHBondContact O-N 2.89Å
69H90.5Very high76.2Confident151 Ų15162.5 Ų62.570%0.69933%0.325SS*.THydrogen-bonded Turntrans-61-20.3-177.4-66.8-72000114.2H56 V71H56-H69 AromaticContact CD2-CE1 3.87Å; H56-H69 AromaticContact CD2-ND1 3.33Å; H56-H69 PolarHBondContact CD2-ND1 3.03Å; H56-H69 VanDerWaalsContact CD2-ND1 3.33Å; H56-H69 AromaticContact CE1-ND1 3.81Å; H56-H69 AromaticContact CG-ND1 3.92Å; H56-H69 AromaticContact NE2-ND1 3.2Å; H56-H69 PolarHBondContact NE2-ND1 3.23Å; H69-V71 VanDerWaalsContact C-N 3.34Å
70N90.7Very high73.8Confident37 Ų3767.1 Ų67.120%0.19834%0.343CS..THydrogen-bonded Turntrans-89.74.6177.767-43.7000113.8G22 V25 P34 T35 V36 P68G22-N70 PolarHBondContact O-ND2 3.3Å; V25-N70 WeakPolarHBondContact CG2-ND2 3.39Å; P34-N70 VanDerWaalsContact O-CB 3.27Å; P34-N70 WeakPolarHBondContact O-CB 3.43Å; P34-N70 PolarHBondContact O-ND2 3.43Å; T35-N70 WeakPolarHBondContact CA-O 3.41Å; V36-N70 PolarHBondContact N-O 3.36Å; P68-N70 WeakPolarHBondContact CB-OD1 3.45Å; P68-N70 PolarHBondContact O-N 3.31Å
71V87.6Confident71.4Confident0 Ų067.4 Ų67.40%035%0.353CS..EExtended strand (participates in β ladder)trans-89.2121.5164.3-166.10000108.2T18 V36 L38 F52 P68 H69T18-V71 HydrophobicContact CG2-CG1 3.84Å; T18-V71 WeakPolarHBondContact O-CG2 3.23Å; V36-V71 HydrophobicContact CB-CG1 4.34Å; V36-V71 HydrophobicContact CB-CG2 4.42Å; V36-V71 HydrophobicContact CG1-CG1 4.45Å; V36-V71 CarbonylContact O-C 3.57Å; V36-V71 WeakPolarHBondContact O-CA 3.35Å; L38-V71 HydrophobicContact CB-CG1 4.17Å; F52-V71 WeakPolarHBondContact CE1-O 3.15Å; F52-V71 HydrophobicContact CE2-CG1 4.35Å; F52-V71 HydrophobicContact CZ-CB 4.03Å; F52-V71 HydrophobicContact CZ-CG1 3.58Å; P68-V71 HydrophobicContact CB-CG2 4.08Å; P68-V71 HydrophobicContact CG-CG2 4.21Å; P68-V71 PolarHBondContact O-N 2.89Å; H69-V71 VanDerWaalsContact C-N 3.34Å
72V85.3Confident68.8Low30 Ų3072 Ų7218%0.18238%0.381CS..EExtended strand (participates in β ladder)trans-120.7123.6-174.4-178.50000109.3T35 V36 W37 L38 V90T35-V72 HydrophobicContact CG2-CB 4.17Å; T35-V72 HydrophobicContact CG2-CG2 3.78Å; V36-V72 PolarHBondContact O-N 3.42Å; W37-V72 CarbonylContact C-O 3.47Å; W37-V72 WeakPolarHBondContact CA-O 3.28Å; L38-V72 PolarHBondContact N-O 2.85Å; V72-V90 HydrophobicContact CG1-CG1 4.4Å
73G76.9Confident66.3Low1 Ų180.9 Ų80.91%0.0142%0.42CS..EExtended strand (participates in β ladder)trans-77.8151.1174.200000110.7L38 V49 N53 I75L38-G73 VanDerWaalsContact O-CA 3.3Å; L38-G73 WeakPolarHBondContact O-CA 3.37Å; V49-G73 VanDerWaalsContact CG1-C 3.41Å; N53-G73 PolarHBondContact ND2-O 3.12Å; N53-G73 VanDerWaalsContact ND2-O 3.12Å; N53-G73 PolarHBondContact OD1-N 2.79Å; G73-I75 PolarHBondContact O-N 3.49Å
74N70.4Confident63.6Low17 Ų1785.3 Ų85.39%0.09144%0.439CS..  trans-60.294.9174.655.2-52.4000113.4L38 F39 D40 V49 S76 K93L38-N74 PolarHBondContact O-N 2.98Å; L38-N74 PolarHBondContact O-OD1 3.49Å; F39-N74 WeakPolarHBondContact CA-OD1 3.46Å; F39-N74 HydrophobicContact CD2-CB 4.13Å; F39-N74 WeakPolarHBondContact CD2-ND2 3.13Å; F39-N74 WeakPolarHBondContact CE2-ND2 3.28Å; D40-N74 PolarHBondContact N-OD1 2.88Å; D40-N74 PolarHBondContact O-ND2 3.32Å; V49-N74 VanDerWaalsContact CG1-C 3.43Å; V49-N74 WeakPolarHBondContact CG1-O 3.43Å; V49-N74 WeakPolarHBondContact CG2-O 3.42Å; V49-N74 WeakPolarHBondContact CG2-OD1 3.16Å; N74-S76 PolarHBondContact O-N 3.12Å; N74-K93 VanDerWaalsContact CB-O 3.32Å; N74-K93 WeakPolarHBondContact CB-O 3.21Å
75I55Low60.7Low70 Ų7085.4 Ų85.436%0.35944%0.438SS..  trans-66.5121.8-176.3-64.4168.8000109.6N53 G73 L77 V90 C92N53-I75 WeakPolarHBondContact ND2-CG1 3.3Å; G73-I75 PolarHBondContact O-N 3.49Å; I75-L77 PolarHBondContact O-N 2.75Å; I75-V90 HydrophobicContact CD1-CG1 4.41Å; I75-C92 WeakPolarHBondContact O-CA 3.29Å; I75-C92 WeakPolarHBondContact O-CB 3.3Å; I75-C92 PolarHBondContact O-SG 3.39Å
76S44.2Very low57.7Low49 Ų4990.4 Ų90.434%0.34347%0.469SS..  trans-66.6128.3169.7-173.10000109.9N74 A78N74-S76 PolarHBondContact O-N 3.12Å; S76-A78 PolarHBondContact O-N 2.57Å
77L38.7Very low54.6Low68 Ų6891.9 Ų91.936%0.35648%0.482SS..  trans-68.830.9-176.4-107.3173.1000114.6I75 F79 Q80 C92I75-L77 PolarHBondContact O-N 2.75Å; L77-F79 PolarHBondContact O-N 3.4Å; L77-Q80 HydrophobicContact CD2-CB 3.85Å; L77-Q80 HydrophobicContact CD2-CG 3.62Å; L77-C92 HydrophobicContact CB-CB 3.55Å; L77-C92 HydrophobicContact CD1-CB 3.71Å; L77-C92 HydrophobicContact CG-CB 3.38Å
78A37.2Very low51.8Low72 Ų7299.7 Ų99.760%0.59552%0.518SS*.SBendtrans-65-2.5179.400000113.9S76S76-A78 PolarHBondContact O-N 2.57Å
79F34.4Very low48.8Very low189 Ų189108.3 Ų108.383%0.82956%0.557SS**  trans-134.579.6168.1-88.2-89.5000111.3L77L77-F79 PolarHBondContact O-N 3.4Å
80Q34.1Very low46.2Very low156 Ų156104.1 Ų104.173%0.72954%0.542SS*.  trans-9122.8167-145.1164.817.900112.9L77L77-Q80 HydrophobicContact CD2-CB 3.85Å; L77-Q80 HydrophobicContact CD2-CG 3.62Å
81V32.6Very low43.5Very low115 Ų115104.9 Ų104.970%0.69755%0.553SS**SBendtrans-130.4119.1171.4-171.80000106.9
82L30.6Very low41.4Very low165 Ų165106.3 Ų106.386%0.86456%0.563SS**SBendtrans88.562.9171.4-134.483.4000118.4
83K34.6Very low40Very low193 Ų193105.6 Ų105.684%0.83956%0.557SS**  trans-163.766.1141.3-111172.6-174.6-179.80111
84I33.3Very low39.9Very low158 Ų158109.1 Ų109.181%0.8158%0.576SS**  trans-81.1130.6150.1-64.3171.8000104.1
85L30.3Very low40.5Very low146 Ų146109.4 Ų109.476%0.76458%0.577SS**SBendtrans90118.3-169.1-63118.2000114.6
86V29.3Very low42Very low125 Ų125111 Ų11176%0.75858%0.581SS**SBendtrans90.299.5172.9-161.10000115.2
87L28.1Very low43.8Very low158 Ų158111.6 Ų111.683%0.82758%0.579SS**SBendtrans79.9129.6168.7-61.5160000116
88H32.7Very low45.9Very low173 Ų173108.4 Ų108.480%0.80156%0.562SS**  trans-25.6129.5-176.1-7084.8000115.3V90H88-V90 PolarHBondContact O-N 3.24Å
89Q28.9Very low48.2Very low201 Ų201105 Ų10594%0.93953%0.534SS*.  trans-40.8105.4168.2-72173.2-14.400111
90V36Very low50.7Low64 Ų64102 Ų10239%0.38852%0.517SS..  trans-117.992.5165.6176.90000106.9W37 V72 I75 H88W37-V90 HydrophobicContact CH2-CG1 3.66Å; W37-V90 HydrophobicContact CZ3-CG1 4.04Å; V72-V90 HydrophobicContact CG1-CG1 4.4Å; I75-V90 HydrophobicContact CD1-CG1 4.41Å; H88-V90 PolarHBondContact O-N 3.24Å
91A32.6Very low53.1Low53 Ų5398 Ų9844%0.43850%0.5SS..  trans-74.1154.2172.100000110.8K93A91-K93 PolarHBondContact O-N 2.56Å; A91-K93 VanDerWaalsContact O-N 3.12Å
92C44.7Very low55.9Low29 Ų2992.5 Ų92.520%0.19647%0.467CS..  trans-60.2105.2178.5172.40000112.3I75 L77 D94I75-C92 WeakPolarHBondContact O-CA 3.29Å; I75-C92 WeakPolarHBondContact O-CB 3.3Å; I75-C92 PolarHBondContact O-SG 3.39Å; L77-C92 HydrophobicContact CB-CB 3.55Å; L77-C92 HydrophobicContact CD1-CB 3.71Å; L77-C92 HydrophobicContact CG-CB 3.38Å; C92-D94 PolarHBondContact O-N 2.77Å
93K55.6Low59.1Low16 Ų1686.3 Ų86.37%0.0744%0.435CS..  trans-80.5105.4171.1-63.3-164.1-174.6166.20110.6W37 N74 A91 E97 C98 D101W37-K93 HydrophobicContact CD2-CD 4.08Å; W37-K93 HydrophobicContact CE3-CB 4.28Å; W37-K93 HydrophobicContact CE3-CD 3.56Å; W37-K93 HydrophobicContact CE3-CG 3.99Å; W37-K93 HydrophobicContact CH2-CD 3.64Å; W37-K93 HydrophobicContact CH2-CG 3.93Å; W37-K93 HydrophobicContact CZ2-CD 4.16Å; W37-K93 VanDerWaalsContact CZ2-CE 3.43Å; W37-K93 HydrophobicContact CZ3-CB 4.04Å; W37-K93 HydrophobicContact CZ3-CD 3.33Å; W37-K93 VanDerWaalsContact CZ3-CE 3.44Å; W37-K93 HydrophobicContact CZ3-CG 3.42Å; W37-K93 VanDerWaalsContact CZ3-CG 3.42Å; N74-K93 VanDerWaalsContact CB-O 3.32Å; N74-K93 WeakPolarHBondContact CB-O 3.21Å; A91-K93 PolarHBondContact O-N 2.56Å; A91-K93 VanDerWaalsContact O-N 3.12Å; K93-E97 WeakPolarHBondContact CA-OE2 3.47Å; K93-E97 HydrophobicContact CB-CB 3.65Å; K93-E97 HydrophobicContact CD-CB 4.11Å; K93-E97 HydrophobicContact CG-CB 3.66Å; K93-C98 HydrophobicContact CB-CB 4.33Å; K93-C98 WeakPolarHBondContact CB-SG 3.04Å; K93-D101 WeakPolarHBondContact CE-OD2 3.35Å; K93-D101 IonicContact NZ-OD2 2.7Å; K93-D101 PolarHBondContact NZ-OD2 2.95Å
94D75.7Confident62Low75 Ų7577.2 Ų77.240%0.40140%0.395SS..  trans-57.5169.7153.378.113.4000109.4C92 K96 E97 C98C92-D94 PolarHBondContact O-N 2.77Å; D94-K96 PolarHBondContact O-N 3.29Å; D94-K96 VanDerWaalsContact O-N 3.09Å; D94-K96 VanDerWaalsContact OD1-CA 3.3Å; D94-K96 WeakPolarHBondContact OD1-CA 3.42Å; D94-K96 WeakPolarHBondContact OD1-CB 3.28Å; D94-K96 PolarHBondContact OD1-N 3.35Å; D94-E97 PolarHBondContact O-N 2.86Å; D94-E97 VanDerWaalsContact O-N 3.12Å; D94-E97 PolarHBondContact OD1-N 2.82Å; D94-C98 PolarHBondContact O-N 2.64Å
95I82.6Confident65Low23 Ų2369.8 Ų69.812%0.11836%0.357CS..Hα-helixtrans-58.7-29.2-177.2-161.1175.3000112.9I8 F39 A99 T117 M121I8-I95 HydrophobicContact CD1-CG1 4.37Å; I8-I95 HydrophobicContact CG2-CD1 4.39Å; F39-I95 HydrophobicContact CD1-CD1 4.38Å; F39-I95 HydrophobicContact CD1-CG1 4.35Å; F39-I95 HydrophobicContact CD2-CB 4.36Å; F39-I95 HydrophobicContact CE1-CB 4.2Å; F39-I95 HydrophobicContact CE1-CD1 4.02Å; F39-I95 HydrophobicContact CE1-CG1 4.14Å; F39-I95 HydrophobicContact CE2-CB 3.78Å; F39-I95 HydrophobicContact CE2-CG1 4.33Å; F39-I95 HydrophobicContact CZ-CB 3.7Å; F39-I95 HydrophobicContact CZ-CD1 4.36Å; F39-I95 HydrophobicContact CZ-CG1 4.14Å; I95-A99 VanDerWaalsContact O-CB 3.29Å; I95-A99 WeakPolarHBondContact O-CB 3.33Å; I95-A99 PolarHBondContact O-N 3.12Å; I95-T117 HydrophobicContact CD1-CG2 3.28Å; I95-M121 HydrophobicContact CD1-CG 3.83Å; I95-M121 HydrophobicContact CD1-SD 3.91Å; I95-M121 HydrophobicContact CG1-CG 3.7Å; I95-M121 HydrophobicContact CG1-SD 3.8Å; I95-M121 HydrophobicContact CG2-CG 4.46Å
96K85.6Confident68.2Low102 Ų10262.8 Ų62.844%0.44332%0.321SS..Hα-helixtrans-73.1-38.9179.5-62.3178177.6-178.90111.5D94 A99 R100 S120 C124D94-K96 PolarHBondContact O-N 3.29Å; D94-K96 VanDerWaalsContact O-N 3.09Å; D94-K96 VanDerWaalsContact OD1-CA 3.3Å; D94-K96 WeakPolarHBondContact OD1-CA 3.42Å; D94-K96 WeakPolarHBondContact OD1-CB 3.28Å; D94-K96 PolarHBondContact OD1-N 3.35Å; K96-A99 PolarHBondContact O-N 3.22Å; K96-R100 WeakPolarHBondContact O-CB 2.9Å; K96-R100 WeakPolarHBondContact O-CG 3.49Å; K96-R100 PolarHBondContact O-N 3.31Å; K96-R100 PolarHBondContact O-NE 2.81Å; K96-S120 WeakPolarHBondContact CE-O 3.26Å; K96-S120 WeakPolarHBondContact CG-O 3.31Å; K96-C124 HydrophobicContact CB-CB 4.24Å
97E82.8Confident71.3Confident63 Ų6356.9 Ų56.929%0.29429%0.285SS..Hα-helixtrans-67.7-42.4172.7-73.3-172.9-173.600111.5K93 D94 A99 R100 D101K93-E97 WeakPolarHBondContact CA-OE2 3.47Å; K93-E97 HydrophobicContact CB-CB 3.65Å; K93-E97 HydrophobicContact CD-CB 4.11Å; K93-E97 HydrophobicContact CG-CB 3.66Å; D94-E97 PolarHBondContact O-N 2.86Å; D94-E97 VanDerWaalsContact O-N 3.12Å; D94-E97 PolarHBondContact OD1-N 2.82Å; E97-A99 VanDerWaalsContact C-N 3.28Å; E97-A99 PolarHBondContact O-N 2.84Å; E97-R100 PolarHBondContact O-N 2.83Å; E97-D101 PolarHBondContact O-N 2.95Å
98C81.7Confident74.3Confident0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-55.9-46.6172.8-85.10000110.7V6 K93 D94 A102V6-C98 HydrophobicContact CG1-CB 3.93Å; K93-C98 HydrophobicContact CB-CB 4.33Å; K93-C98 WeakPolarHBondContact CB-SG 3.04Å; D94-C98 PolarHBondContact O-N 2.64Å; C98-A102 PolarHBondContact O-N 2.98Å
99A85.3Confident76.9Confident0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-63.4-39.717800000113.5I95 K96 E97 D101 A102 M121 C124 V125I95-A99 VanDerWaalsContact O-CB 3.29Å; I95-A99 WeakPolarHBondContact O-CB 3.33Å; I95-A99 PolarHBondContact O-N 3.12Å; K96-A99 PolarHBondContact O-N 3.22Å; E97-A99 VanDerWaalsContact C-N 3.28Å; E97-A99 PolarHBondContact O-N 2.84Å; A99-D101 VanDerWaalsContact C-N 3.27Å; A99-D101 PolarHBondContact O-N 3.17Å; A99-A102 PolarHBondContact O-N 3.15Å; A99-M121 HydrophobicContact CB-CB 3.94Å; A99-M121 HydrophobicContact CB-CG 3.85Å; A99-M121 HydrophobicContact CB-SD 3.92Å; A99-C124 CarbonylContact C-O 3.56Å; A99-C124 HydrophobicContact CB-CB 4Å; A99-V125 HydrophobicContact CB-CG2 3.98Å
100R88.6Confident79.4Confident127 Ų12735.7 Ų35.748%0.47919%0.189SC..Hα-helixtrans-60.5-34.4-179.5-86.5-177.6-82.5165.3-6.6113.9K96 E97 C124 K126K96-R100 WeakPolarHBondContact O-CB 2.9Å; K96-R100 WeakPolarHBondContact O-CG 3.49Å; K96-R100 PolarHBondContact O-N 3.31Å; K96-R100 PolarHBondContact O-NE 2.81Å; E97-R100 PolarHBondContact O-N 2.83Å; R100-C124 WeakPolarHBondContact CA-O 3.33Å; R100-C124 HydrophobicContact CG-CB 4.09Å; R100-C124 VanDerWaalsContact CG-O 3.23Å; R100-C124 WeakPolarHBondContact CG-O 3.33Å; R100-C124 PolarHBondContact N-O 3.42Å; R100-K126 WeakPolarHBondContact O-CE 3.18Å; R100-K126 WeakPolarHBondContact O-CG 3.36Å
101D84.1Confident81.6Confident71 Ų7133.3 Ų33.338%0.3817%0.174SC..Hα-helixtrans-93-15.2-178-67.4-31.5000113.4Q4 K93 E97 A99 D103 K126Q4-D101 VanDerWaalsContact CB-O 3.29Å; Q4-D101 WeakPolarHBondContact CB-O 3Å; Q4-D101 HydrophobicContact CG-CB 4.42Å; K93-D101 WeakPolarHBondContact CE-OD2 3.35Å; K93-D101 IonicContact NZ-OD2 2.7Å; K93-D101 PolarHBondContact NZ-OD2 2.95Å; E97-D101 PolarHBondContact O-N 2.95Å; A99-D101 VanDerWaalsContact C-N 3.27Å; A99-D101 PolarHBondContact O-N 3.17Å; D101-D103 PolarHBondContact O-N 2.8Å; D101-K126 WeakPolarHBondContact O-CE 3.35Å; D101-K126 PolarHBondContact O-NZ 3.07Å
102A91.8Very high83.7Confident0 Ų035.3 Ų35.30%018%0.175CC..  trans-67.8120.3-175.600000112.4V6 C98 A99 L105 K126 A129V6-A102 HydrophobicContact CB-CB 3.89Å; V6-A102 HydrophobicContact CG2-CB 3.63Å; C98-A102 PolarHBondContact O-N 2.98Å; A99-A102 PolarHBondContact O-N 3.15Å; A102-L105 HydrophobicContact CB-CB 4.48Å; A102-L105 HydrophobicContact CB-CD1 4.12Å; A102-K126 WeakPolarHBondContact O-CD 3.46Å; A102-A129 WeakPolarHBondContact O-CB 3.42Å
103D96Very high85.5Confident35 Ų3538.4 Ų38.419%0.18719%0.185CC..SBendtrans-89.9-29.2161.6-58.2-63000110.6R3 Q4 D101 K126 A129 V130R3-D103 WeakPolarHBondContact CA-OD2 3.28Å; R3-D103 HydrophobicContact CB-CB 3.84Å; R3-D103 HydrophobicContact CG-CB 4.12Å; Q4-D103 PolarHBondContact N-OD2 2.71Å; Q4-D103 PolarHBondContact O-N 3.38Å; D101-D103 PolarHBondContact O-N 2.8Å; D103-K126 WeakPolarHBondContact OD1-CD 3.39Å; D103-K126 IonicContact OD1-NZ 3.01Å; D103-K126 PolarHBondContact OD1-NZ 3.39Å; D103-K126 IonicContact OD2-NZ 2.88Å; D103-K126 PolarHBondContact OD2-NZ 3.2Å; D103-A129 WeakPolarHBondContact O-CA 3.36Å; D103-V130 PolarHBondContact O-N 3.2Å
104I97.4Very high86.9Confident2 Ų237.9 Ų37.91%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-127.2122.2171.4-59.8175000108.8R3 Q4 V5 V6 F32 V106 V130 I212 L213 L216R3-I104 HydrophobicContact CB-CD1 4.45Å; Q4-I104 PolarHBondContact O-N 3.16Å; Q4-I104 VanDerWaalsContact O-N 3.07Å; V5-I104 HydrophobicContact CG2-CB 4.4Å; V6-I104 PolarHBondContact N-O 2.86Å; F32-I104 HydrophobicContact CD1-CD1 4.34Å; F32-I104 HydrophobicContact CE1-CD1 3.77Å; I104-V106 HydrophobicContact CG2-CG2 4.34Å; I104-V130 CarbonylContact C-O 3.58Å; I104-V130 VanDerWaalsContact CA-O 3.31Å; I104-V130 WeakPolarHBondContact CA-O 3.41Å; I104-I212 HydrophobicContact CD1-CG1 4.38Å; I104-L213 HydrophobicContact CG2-CD2 4.07Å; I104-L216 HydrophobicContact CD1-CD2 3.85Å; I104-L216 HydrophobicContact CG2-CD2 3.97Å
105L96.1Very high87.3Confident2 Ų235 Ų351%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-109.6108.2179.9-169.571.9000110.3V6 I8 A102 L107 M121 V130 G131 I132 L176V6-L105 HydrophobicContact CB-CD1 4.21Å; V6-L105 HydrophobicContact CG1-CD1 4.18Å; I8-L105 HydrophobicContact CD1-CD1 3.98Å; I8-L105 HydrophobicContact CG1-CD1 3.56Å; I8-L105 HydrophobicContact CG1-CG 4.22Å; A102-L105 HydrophobicContact CB-CB 4.48Å; A102-L105 HydrophobicContact CB-CD1 4.12Å; L105-L107 HydrophobicContact CD2-CD2 4.18Å; L105-L107 HydrophobicContact CD2-CG 4.38Å; L105-L107 HydrophobicContact CG-CD2 4.4Å; L105-L107 HydrophobicContact CG-CG 4.39Å; L105-M121 HydrophobicContact CD1-SD 4.46Å; L105-M121 HydrophobicContact CD2-CE 3.91Å; L105-M121 HydrophobicContact CD2-SD 4.16Å; L105-V130 PolarHBondContact N-O 3.28Å; L105-G131 CarbonylContact O-C 3.57Å; L105-G131 WeakPolarHBondContact O-CA 3.35Å; L105-I132 PolarHBondContact O-N 3.28Å; L105-L176 HydrophobicContact CD2-CD1 3.99Å
106V96.5Very high87.3Confident0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-92.3114.6177.4-175.60000108.9V5 V6 V7 I8 L17 L21 I104 I132 T134 F217V5-V106 HydrophobicContact CG1-CG2 4.18Å; V6-V106 PolarHBondContact O-N 2.86Å; V7-V106 CarbonylContact C-O 3.51Å; V7-V106 WeakPolarHBondContact CA-O 3.4Å; V7-V106 HydrophobicContact CB-CB 4.4Å; V7-V106 HydrophobicContact CG1-CB 4.37Å; V7-V106 HydrophobicContact CG1-CG1 4.36Å; V7-V106 HydrophobicContact CG2-CB 4.04Å; V7-V106 HydrophobicContact CG2-CG1 4.5Å; V7-V106 HydrophobicContact CG2-CG2 4.3Å; I8-V106 PolarHBondContact N-O 2.95Å; L17-V106 HydrophobicContact CD1-CG1 4.16Å; L21-V106 HydrophobicContact CD1-CG2 4.17Å; I104-V106 HydrophobicContact CG2-CG2 4.34Å; V106-I132 HydrophobicContact CB-CG2 4.06Å; V106-I132 HydrophobicContact CG1-CG2 4.11Å; V106-I132 HydrophobicContact CG2-CG2 3.74Å; V106-T134 HydrophobicContact CG1-CG2 4.07Å; V106-F217 HydrophobicContact CG1-CZ 4.1Å; V106-F217 HydrophobicContact CG2-CZ 3.94Å
107L94.7Very high87.4Confident0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-99102.1-178.8-66.7161.2000109.6I8 L105 L114 M121 I132 T134 V135 I172I8-L107 HydrophobicContact CB-CD2 4.03Å; I8-L107 HydrophobicContact CG1-CD2 4.18Å; I8-L107 HydrophobicContact CG2-CD2 4.36Å; L105-L107 HydrophobicContact CD2-CD2 4.18Å; L105-L107 HydrophobicContact CD2-CG 4.38Å; L105-L107 HydrophobicContact CG-CD2 4.4Å; L105-L107 HydrophobicContact CG-CG 4.39Å; L107-L114 HydrophobicContact CB-CD1 4.32Å; L107-L114 HydrophobicContact CD1-CD1 4.36Å; L107-L114 HydrophobicContact CD2-CD1 4.42Å; L107-M121 HydrophobicContact CD2-CE 4.15Å; L107-I132 PolarHBondContact N-O 3.39Å; L107-T134 PolarHBondContact O-N 3.35Å; L107-T134 PolarHBondContact O-OG1 2.75Å; L107-V135 WeakPolarHBondContact O-CG2 3.42Å; L107-I172 HydrophobicContact CD1-CB 4.31Å; L107-I172 HydrophobicContact CD1-CD1 3.58Å; L107-I172 HydrophobicContact CD1-CG1 3.91Å; L107-I172 HydrophobicContact CD1-CG2 3.42Å; L107-I172 VanDerWaalsContact CD1-CG2 3.42Å
108A92.1Very high87.6Confident10 Ų1031.7 Ų31.78%0.08316%0.159CC..  trans-122.642.6-176.300000112V7 I8 G14 L17 T134V7-A108 HydrophobicContact CG1-CB 4.37Å; I8-A108 CarbonylContact O-C 3.6Å; I8-A108 PolarHBondContact O-N 3.26Å; G14-A108 VanDerWaalsContact CA-CB 3.5Å; L17-A108 HydrophobicContact CD1-CB 4.32Å; A108-T134 WeakPolarHBondContact CB-OG1 3.25Å
109I86.4Confident87.9Confident15 Ų1536.3 Ų36.38%0.07718%0.181CC..SBendtrans-104.7156.7178.749.4178.1000112.4I8 Q111 L114 T117 V135I8-I109 HydrophobicContact CG2-CD1 4.48Å; I8-I109 HydrophobicContact CG2-CG2 4.21Å; I109-Q111 PolarHBondContact O-N 3.2Å; I109-L114 HydrophobicContact CD1-CB 4.33Å; I109-L114 HydrophobicContact CD1-CD1 3.97Å; I109-L114 HydrophobicContact CG1-CD1 4.03Å; I109-T117 HydrophobicContact CD1-CG2 3.7Å; I109-T117 WeakPolarHBondContact CD1-OG1 3.42Å; I109-V135 WeakPolarHBondContact O-CG1 3.41Å; I109-V135 VanDerWaalsContact O-CG2 3.25Å; I109-V135 WeakPolarHBondContact O-CG2 3.07Å
110P80.3Confident88Confident62 Ų6239 Ų3940%0.40320%0.199SC..  trans-55.8138.4168.7-22.632.3000112Q112 F113 L114P110-Q112 VanDerWaalsContact CB-CD 3.48Å; P110-Q112 VanDerWaalsContact CB-OE1 3.28Å; P110-Q112 PolarHBondContact O-N 2.78Å; P110-Q112 VanDerWaalsContact O-N 3.1Å; P110-F113 HydrophobicContact CB-CD2 3.74Å; P110-F113 HydrophobicContact CB-CE2 4.05Å; P110-F113 HydrophobicContact CG-CD2 3.84Å; P110-F113 HydrophobicContact CG-CE2 4.01Å; P110-F113 PolarHBondContact O-N 2.99Å; P110-L114 PolarHBondContact O-N 2.88Å
111Q83.8Confident88.1Confident15 Ų1533 Ų337%0.0718%0.177CC..Hα-helixtrans-51.3-38.7-175.8173.1174-37.600113.8I109 F113 L114 V135 R138 T140 L168I109-Q111 PolarHBondContact O-N 3.2Å; Q111-F113 PolarHBondContact O-N 3.3Å; Q111-F113 VanDerWaalsContact O-N 3.12Å; Q111-L114 VanDerWaalsContact O-CB 3.29Å; Q111-L114 WeakPolarHBondContact O-CB 3.22Å; Q111-L114 PolarHBondContact O-N 3.05Å; Q111-L114 VanDerWaalsContact O-N 3.08Å; Q111-V135 HydrophobicContact CB-CG1 3.85Å; Q111-R138 PolarHBondContact NE2-O 3.18Å; Q111-R138 PolarHBondContact OE1-O 2.87Å; Q111-T140 PolarHBondContact NE2-OG1 2.91Å; Q111-L168 HydrophobicContact CG-CD1 4.41Å; Q111-L168 HydrophobicContact CG-CD2 4.13Å
112Q76Confident88.3Confident95 Ų9532.6 Ų32.644%0.44418%0.177SC..Hα-helixtrans-62.8-20.5-177.268.3-86.615.300113.8P110P110-Q112 VanDerWaalsContact CB-CD 3.48Å; P110-Q112 VanDerWaalsContact CB-OE1 3.28Å; P110-Q112 PolarHBondContact O-N 2.78Å; P110-Q112 VanDerWaalsContact O-N 3.1Å
113F82.4Confident88.3Confident94 Ų9436.6 Ų36.641%0.41222%0.218SC..Hα-helixtrans-96.4-21.4177.2-55.1-58.2000112.3P110 Q111 A115 N116 T117P110-F113 HydrophobicContact CB-CD2 3.74Å; P110-F113 HydrophobicContact CB-CE2 4.05Å; P110-F113 HydrophobicContact CG-CD2 3.84Å; P110-F113 HydrophobicContact CG-CE2 4.01Å; P110-F113 PolarHBondContact O-N 2.99Å; Q111-F113 PolarHBondContact O-N 3.3Å; Q111-F113 VanDerWaalsContact O-N 3.12Å; F113-A115 VanDerWaalsContact C-N 3.28Å; F113-A115 PolarHBondContact O-N 2.84Å; F113-A115 VanDerWaalsContact O-N 3.13Å; F113-N116 PolarHBondContact O-N 2.74Å; F113-T117 WeakPolarHBondContact O-CB 3.2Å; F113-T117 PolarHBondContact O-N 2.92Å; F113-T117 PolarHBondContact O-OG1 2.81Å
114L85.8Confident88.1Confident4 Ų436.1 Ų36.12%0.02122%0.217CC..Hα-helixtrans-48.7-49-170.9-176.266.3000113.5L107 I109 P110 Q111 T117 C118 V135 L168 I172L107-L114 HydrophobicContact CB-CD1 4.32Å; L107-L114 HydrophobicContact CD1-CD1 4.36Å; L107-L114 HydrophobicContact CD2-CD1 4.42Å; I109-L114 HydrophobicContact CD1-CB 4.33Å; I109-L114 HydrophobicContact CD1-CD1 3.97Å; I109-L114 HydrophobicContact CG1-CD1 4.03Å; P110-L114 PolarHBondContact O-N 2.88Å; Q111-L114 VanDerWaalsContact O-CB 3.29Å; Q111-L114 WeakPolarHBondContact O-CB 3.22Å; Q111-L114 PolarHBondContact O-N 3.05Å; Q111-L114 VanDerWaalsContact O-N 3.08Å; L114-T117 PolarHBondContact O-N 3.26Å; L114-C118 WeakPolarHBondContact O-CB 3.41Å; L114-C118 PolarHBondContact O-N 3.37Å; L114-C118 PolarHBondContact O-SG 3.47Å; L114-V135 HydrophobicContact CD1-CG2 4.27Å; L114-L168 HydrophobicContact CD2-CB 4.01Å; L114-L168 HydrophobicContact CD2-CD1 4.23Å; L114-L168 HydrophobicContact CD2-CD2 3.71Å; L114-L168 HydrophobicContact CD2-CG 4.2Å; L114-I172 HydrophobicContact CD1-CD1 4.04Å; L114-I172 HydrophobicContact CD1-CG1 4.03Å; L114-I172 HydrophobicContact CD2-CD1 3.97Å; L114-I172 HydrophobicContact CD2-CG1 3.92Å; L114-I172 HydrophobicContact CG-CD1 4.45Å; L114-I172 HydrophobicContact CG-CG1 4.15Å
115A83Confident87.8Confident16 Ų1637 Ų3713%0.13222%0.222CC..Hα-helixtrans-50.8-64.4177.500000113.5F113 T117 C118 Q119 Y146F113-A115 VanDerWaalsContact C-N 3.28Å; F113-A115 PolarHBondContact O-N 2.84Å; F113-A115 VanDerWaalsContact O-N 3.13Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.42Å; A115-C118 PolarHBondContact O-N 3.25Å; A115-Q119 PolarHBondContact O-N 2.81Å; A115-Y146 WeakPolarHBondContact CA-OH 3.4Å; A115-Y146 HydrophobicContact CB-CE2 3.35Å; A115-Y146 WeakPolarHBondContact CB-OH 3.44Å; A115-Y146 PolarHBondContact O-OH 3.45Å; A115-Y146 VanDerWaalsContact O-OH 3.07Å
116N82.8Confident87.7Confident114 Ų11439.6 Ų39.661%0.6123%0.234SC*.Hα-helixtrans-64.8-36.7-176.7-67.6-18000111.3F113 Q119 S120F113-N116 PolarHBondContact O-N 2.74Å; N116-Q119 PolarHBondContact O-N 2.93Å; N116-S120 WeakPolarHBondContact O-CB 3.22Å; N116-S120 PolarHBondContact O-N 2.9Å; N116-S120 PolarHBondContact O-OG 3.36Å
117T87Confident87.5Confident4 Ų445.6 Ų45.63%0.02527%0.273CS..Hα-helixtrans-62.7-47.1174.7-53.80000111.1I8 I95 I109 F113 L114 A115 S120 M121I8-T117 HydrophobicContact CG2-CG2 3.64Å; I95-T117 HydrophobicContact CD1-CG2 3.28Å; I109-T117 HydrophobicContact CD1-CG2 3.7Å; I109-T117 WeakPolarHBondContact CD1-OG1 3.42Å; F113-T117 WeakPolarHBondContact O-CB 3.2Å; F113-T117 PolarHBondContact O-N 2.92Å; F113-T117 PolarHBondContact O-OG1 2.81Å; L114-T117 PolarHBondContact O-N 3.26Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.42Å; T117-S120 WeakPolarHBondContact O-CB 3.34Å; T117-S120 PolarHBondContact O-N 3.43Å; T117-M121 HydrophobicContact CG2-CE 4.33Å
118C88.4Confident87.5Confident0 Ų051 Ų510%030%0.301CS..Hα-helixtrans-62.5-44.7175.3-67.50000111.3L114 A115 S120 M121 V122 I175 L176L114-C118 WeakPolarHBondContact O-CB 3.41Å; L114-C118 PolarHBondContact O-N 3.37Å; L114-C118 PolarHBondContact O-SG 3.47Å; A115-C118 PolarHBondContact O-N 3.25Å; C118-S120 PolarHBondContact O-N 2.97Å; C118-M121 PolarHBondContact O-N 3.45Å; C118-V122 PolarHBondContact O-N 3.25Å; C118-I175 HydrophobicContact CB-CB 4.15Å; C118-I175 HydrophobicContact CB-CD1 3.9Å; C118-I175 HydrophobicContact CB-CG2 3.66Å; C118-L176 HydrophobicContact CB-CD1 4.32Å; C118-L176 HydrophobicContact CB-CD2 4.11Å; C118-L176 HydrophobicContact CB-CG 4.08Å; C118-L176 WeakPolarHBondContact O-CD2 3.3Å
119Q87.4Confident87.6Confident97 Ų9750.5 Ų50.545%0.45330%0.298SS..Hα-helixtrans-56.7-37.2177.7-167.562.438.300112.1A115 N116 M121 V122A115-Q119 PolarHBondContact O-N 2.81Å; N116-Q119 PolarHBondContact O-N 2.93Å; Q119-M121 PolarHBondContact O-N 3.48Å; Q119-V122 WeakPolarHBondContact O-CG2 3.32Å; Q119-V122 PolarHBondContact O-N 2.96Å
120S86.8Confident88.2Confident56 Ų5650.3 Ų50.339%0.39230%0.297SS..Hα-helixtrans-68.2-17.8178.8-59.20000113.8K96 N116 T117 C118K96-S120 WeakPolarHBondContact CE-O 3.26Å; K96-S120 WeakPolarHBondContact CG-O 3.31Å; N116-S120 WeakPolarHBondContact O-CB 3.22Å; N116-S120 PolarHBondContact O-N 2.9Å; N116-S120 PolarHBondContact O-OG 3.36Å; T117-S120 WeakPolarHBondContact O-CB 3.34Å; T117-S120 PolarHBondContact O-N 3.43Å; C118-S120 PolarHBondContact O-N 2.97Å
121M90.9Very high89Confident0 Ų047.4 Ų47.40%028%0.278CS..Hα-helixtrans-101.8-3.1179.5-63.3-175.9-67.600113.7I8 I95 A99 L105 L107 T117 C118 Q119 G123 C124 V125 L176I8-M121 HydrophobicContact CD1-SD 4.36Å; I8-M121 HydrophobicContact CG1-SD 4.38Å; I95-M121 HydrophobicContact CD1-CG 3.83Å; I95-M121 HydrophobicContact CD1-SD 3.91Å; I95-M121 HydrophobicContact CG1-CG 3.7Å; I95-M121 HydrophobicContact CG1-SD 3.8Å; I95-M121 HydrophobicContact CG2-CG 4.46Å; A99-M121 HydrophobicContact CB-CB 3.94Å; A99-M121 HydrophobicContact CB-CG 3.85Å; A99-M121 HydrophobicContact CB-SD 3.92Å; L105-M121 HydrophobicContact CD1-SD 4.46Å; L105-M121 HydrophobicContact CD2-CE 3.91Å; L105-M121 HydrophobicContact CD2-SD 4.16Å; L107-M121 HydrophobicContact CD2-CE 4.15Å; T117-M121 HydrophobicContact CG2-CE 4.33Å; C118-M121 PolarHBondContact O-N 3.45Å; Q119-M121 PolarHBondContact O-N 3.48Å; M121-G123 PolarHBondContact O-N 2.78Å; M121-C124 VanDerWaalsContact O-CB 3.3Å; M121-C124 WeakPolarHBondContact O-CB 3.36Å; M121-C124 PolarHBondContact O-N 3.27Å; M121-V125 HydrophobicContact CB-CG2 4.03Å; M121-V125 PolarHBondContact O-N 3.44Å; M121-L176 HydrophobicContact CB-CD2 3.94Å; M121-L176 HydrophobicContact CE-CD1 4.09Å
122V89.6Confident89.7Confident63 Ų6346.7 Ų46.738%0.38228%0.275SS..THydrogen-bonded Turntrans-56134179.6173.90000110.6C118 Q119 C124 I175 L176C118-V122 PolarHBondContact O-N 3.25Å; Q119-V122 WeakPolarHBondContact O-CG2 3.32Å; Q119-V122 PolarHBondContact O-N 2.96Å; V122-C124 PolarHBondContact O-N 3.06Å; V122-I175 HydrophobicContact CG2-CG2 3.75Å; V122-L176 HydrophobicContact CG2-CD2 4.44Å
123G90Very high90.6Very high84 Ų8442.1 Ų42.187%0.86625%0.254SS*.THydrogen-bonded Turntrans73.3-1.5-176.900000115M121M121-G123 PolarHBondContact O-N 2.78Å
124C92.3Very high91.2Very high25 Ų2538 Ų3817%0.16924%0.236CC..THydrogen-bonded Turntrans-105-26.4178.6-57.60000112.4K96 A99 R100 M121 V122K96-C124 HydrophobicContact CB-CB 4.24Å; A99-C124 CarbonylContact C-O 3.56Å; A99-C124 HydrophobicContact CB-CB 4Å; R100-C124 WeakPolarHBondContact CA-O 3.33Å; R100-C124 HydrophobicContact CG-CB 4.09Å; R100-C124 VanDerWaalsContact CG-O 3.23Å; R100-C124 WeakPolarHBondContact CG-O 3.33Å; R100-C124 PolarHBondContact N-O 3.42Å; M121-C124 VanDerWaalsContact O-CB 3.3Å; M121-C124 WeakPolarHBondContact O-CB 3.36Å; M121-C124 PolarHBondContact O-N 3.27Å; V122-C124 PolarHBondContact O-N 3.06Å
125V92.5Very high91.2Very high20 Ų2038.1 Ų38.112%0.12124%0.237CC..SBendtrans-73.1139.6-179.8-174.20000110.9A99 M121 A129 L176 V178A99-V125 HydrophobicContact CB-CG2 3.98Å; M121-V125 HydrophobicContact CB-CG2 4.03Å; M121-V125 PolarHBondContact O-N 3.44Å; V125-A129 HydrophobicContact CG1-CB 3.66Å; V125-L176 HydrophobicContact CG2-CD1 4.4Å; V125-L176 HydrophobicContact CG2-CD2 4.07Å; V125-V178 HydrophobicContact CG1-CG1 3.78Å
126K93.9Very high91Very high57 Ų5739.6 Ų39.625%0.24824%0.24CC..  trans-61.1138.8175-61.4175.8178.8162.90110.8R100 D101 A102 D103 N128 A129R100-K126 WeakPolarHBondContact O-CE 3.18Å; R100-K126 WeakPolarHBondContact O-CG 3.36Å; D101-K126 WeakPolarHBondContact O-CE 3.35Å; D101-K126 PolarHBondContact O-NZ 3.07Å; A102-K126 WeakPolarHBondContact O-CD 3.46Å; D103-K126 WeakPolarHBondContact OD1-CD 3.39Å; D103-K126 IonicContact OD1-NZ 3.01Å; D103-K126 PolarHBondContact OD1-NZ 3.39Å; D103-K126 IonicContact OD2-NZ 2.88Å; D103-K126 PolarHBondContact OD2-NZ 3.2Å; K126-N128 PolarHBondContact O-N 2.88Å; K126-N128 VanDerWaalsContact O-N 3.1Å; K126-A129 HydrophobicContact CB-CB 4.19Å; K126-A129 VanDerWaalsContact O-CB 3.28Å; K126-A129 WeakPolarHBondContact O-CB 3.23Å; K126-A129 PolarHBondContact O-N 2.99Å
127P91.7Very high90.4Very high126 Ų12634.1 Ų34.182%0.81821%0.211SC*.THydrogen-bonded Turntrans-59.1-26.7-179.3-2634.1000114.9
128N93.6Very high89.5Confident113 Ų11335.8 Ų35.860%0.60422%0.217SC*.THydrogen-bonded Turntrans-100.87179.466.4-33.2000113.4K126K126-N128 PolarHBondContact O-N 2.88Å; K126-N128 VanDerWaalsContact O-N 3.1Å
129A95.9Very high87.9Confident1 Ų135.9 Ų35.91%0.00822%0.218CC..  trans-63.5151.3175.300000111A102 D103 V125 K126 V178A102-A129 WeakPolarHBondContact O-CB 3.42Å; D103-A129 WeakPolarHBondContact O-CA 3.36Å; V125-A129 HydrophobicContact CG1-CB 3.66Å; K126-A129 HydrophobicContact CB-CB 4.19Å; K126-A129 VanDerWaalsContact O-CB 3.28Å; K126-A129 WeakPolarHBondContact O-CB 3.23Å; K126-A129 PolarHBondContact O-N 2.99Å; A129-V178 HydrophobicContact CB-CG1 4.4Å
130V97.3Very high85.9Confident10 Ų1033.5 Ų33.56%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-111.9121.6173.8-179.60000108.7D103 I104 L105 R179 D209 L213D103-V130 PolarHBondContact O-N 3.2Å; I104-V130 CarbonylContact C-O 3.58Å; I104-V130 VanDerWaalsContact CA-O 3.31Å; I104-V130 WeakPolarHBondContact CA-O 3.41Å; L105-V130 PolarHBondContact N-O 3.28Å; V130-R179 VanDerWaalsContact CG2-NH2 3.33Å; V130-D209 HydrophobicContact CG1-CB 4.2Å; V130-D209 WeakPolarHBondContact CG2-OD1 3.45Å; V130-D209 WeakPolarHBondContact CG2-OD2 3.46Å; V130-L213 HydrophobicContact CG1-CD1 4.25Å
131G97.3Very high83.6Confident1 Ų135.6 Ų35.61%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-82.3149.8169.700000111.4L105 R179 V180 A181L105-G131 CarbonylContact O-C 3.57Å; L105-G131 WeakPolarHBondContact O-CA 3.35Å; G131-R179 PolarHBondContact N-O 3.16Å; G131-V180 CarbonylContact O-C 3.57Å; G131-V180 WeakPolarHBondContact O-CA 3.46Å; G131-A181 PolarHBondContact O-N 2.73Å
132I98.1Very high81.1Confident0 Ų039 Ų390%025%0.246CC..EExtended strand (participates in β ladder)trans-135.4118.4161.7-173.3170.8000109.7L105 V106 L107 A181 L183 I202 L213 F217L105-I132 PolarHBondContact O-N 3.28Å; V106-I132 HydrophobicContact CB-CG2 4.06Å; V106-I132 HydrophobicContact CG1-CG2 4.11Å; V106-I132 HydrophobicContact CG2-CG2 3.74Å; L107-I132 PolarHBondContact N-O 3.39Å; I132-A181 CarbonylContact C-O 3.56Å; I132-A181 WeakPolarHBondContact CA-O 3.26Å; I132-A181 HydrophobicContact CB-CB 4.27Å; I132-A181 HydrophobicContact CD1-CB 4.36Å; I132-A181 HydrophobicContact CG1-CB 4.02Å; I132-L183 HydrophobicContact CD1-CB 3.87Å; I132-L183 HydrophobicContact CD1-CD1 4.49Å; I132-L183 HydrophobicContact CG1-CB 4.31Å; I132-I202 HydrophobicContact CD1-CD1 4.06Å; I132-I202 HydrophobicContact CD1-CG1 4.3Å; I132-I202 HydrophobicContact CD1-CG2 4.43Å; I132-L213 HydrophobicContact CB-CD2 4.34Å; I132-L213 HydrophobicContact CD1-CD1 4.25Å; I132-L213 HydrophobicContact CD1-CD2 4.24Å; I132-L213 HydrophobicContact CG2-CD2 4.31Å; I132-F217 HydrophobicContact CD1-CD2 4.23Å; I132-F217 HydrophobicContact CD1-CE2 3.61Å; I132-F217 HydrophobicContact CD1-CZ 4.11Å; I132-F217 HydrophobicContact CG2-CE2 3.98Å; I132-F217 HydrophobicContact CG2-CZ 3.91Å
133S95.9Very high78.9Confident0 Ų037 Ų370%023%0.232CC..EExtended strand (participates in β ladder)trans-82.5129.1174.1-177.20000109.9V135 A181 A182 L183S133-V135 PolarHBondContact OG-N 2.68Å; S133-A181 PolarHBondContact N-O 3.31Å; S133-A182 CarbonylContact O-C 3.56Å; S133-A182 VanDerWaalsContact O-CA 3.22Å; S133-A182 WeakPolarHBondContact O-CA 3.34Å; S133-L183 PolarHBondContact O-N 2.99Å
134T94.2Very high76.4Confident6 Ų635.1 Ų35.14%0.03721%0.206CC..  trans-112.917.1167.281.70000110.6W13 L17 V106 L107 A108 L183W13-T134 PolarHBondContact NE1-OG1 3.14Å; W13-T134 VanDerWaalsContact NE1-OG1 3.11Å; L17-T134 HydrophobicContact CD1-CG2 3.72Å; V106-T134 HydrophobicContact CG1-CG2 4.07Å; L107-T134 PolarHBondContact O-N 3.35Å; L107-T134 PolarHBondContact O-OG1 2.75Å; A108-T134 WeakPolarHBondContact CB-OG1 3.25Å; T134-L183 HydrophobicContact CG2-CB 4.07Å
135V86.3Confident73.7Confident7 Ų742.3 Ų42.34%0.04223%0.23CC..PPolyproline II helixtrans-84.9116.6-175.1-173.30000108.6L107 I109 Q111 L114 S133 V137 L168 M184L107-V135 WeakPolarHBondContact O-CG2 3.42Å; I109-V135 WeakPolarHBondContact O-CG1 3.41Å; I109-V135 VanDerWaalsContact O-CG2 3.25Å; I109-V135 WeakPolarHBondContact O-CG2 3.07Å; Q111-V135 HydrophobicContact CB-CG1 3.85Å; L114-V135 HydrophobicContact CD1-CG2 4.27Å; S133-V135 PolarHBondContact OG-N 2.68Å; V135-V137 PolarHBondContact O-N 2.93Å; V135-L168 HydrophobicContact CB-CD1 3.8Å; V135-L168 HydrophobicContact CG1-CD1 3.59Å; V135-M184 VanDerWaalsContact O-CE 3.26Å; V135-M184 WeakPolarHBondContact O-CE 3.36Å
136K79.1Confident71.3Confident47 Ų4743.7 Ų43.720%0.20423%0.234CC..PPolyproline II helixtrans-73121.7175.1-62.7-167.5-179.9-160.90109.5R138 M184 G185 N187 D295 Q333K136-R138 PolarHBondContact O-N 2.97Å; K136-M184 HydrophobicContact CG-SD 4.06Å; K136-G185 PolarHBondContact NZ-O 2.88Å; K136-N187 PolarHBondContact NZ-OD1 2.84Å; K136-D295 IonicContact NZ-OD1 2.61Å; K136-D295 PolarHBondContact NZ-OD1 3.09Å; K136-D295 IonicContact NZ-OD2 3.6Å; K136-D295 PolarHBondContact NZ-OD2 3.17Å; K136-Q333 PolarHBondContact O-NE2 2.95Å
137V70Confident68.7Low0 Ų044.9 Ų44.90%024%0.237CC..PPolyproline II helixtrans-57.5133.5-178.6-172.50000110.9V135 I165 L168 E234 A238V135-V137 PolarHBondContact O-N 2.93Å; V137-I165 HydrophobicContact CG1-CD1 4.14Å; V137-I165 HydrophobicContact CG1-CG1 4.25Å; V137-L168 HydrophobicContact CB-CD1 4.37Å; V137-L168 HydrophobicContact CG2-CD1 3.9Å; V137-L168 HydrophobicContact CG2-CG 3.97Å; V137-E234 HydrophobicContact CG2-CB 4.39Å; V137-A238 HydrophobicContact CB-CB 3.63Å; V137-A238 HydrophobicContact CG1-CB 4.05Å
138R69Low66.1Low39 Ų3941.3 Ų41.315%0.14721%0.213CC..  trans-113.8142.4172.1-61.7-175.7172.8-162.7-21.1107.1Q111 K136 T140 K331 Q333Q111-R138 PolarHBondContact NE2-O 3.18Å; Q111-R138 PolarHBondContact OE1-O 2.87Å; K136-R138 PolarHBondContact O-N 2.97Å; R138-T140 HydrophobicContact CB-CG2 4.37Å; R138-T140 PolarHBondContact O-N 2.65Å; R138-T140 VanDerWaalsContact O-N 3.17Å; R138-K331 PolarHBondContact NH2-O 3.35Å; R138-Q333 HydrophobicContact CG-CB 4.25Å; R138-Q333 HydrophobicContact CG-CG 3.68Å; R138-Q333 VanDerWaalsContact NE-CG 3.34Å
139G53Low63.4Low2 Ų241.6 Ų41.62%0.02121%0.214CC..  trans-68.6112.7163.300000109.9Y336 T337G139-Y336 WeakPolarHBondContact O-CB 3.31Å; G139-T337 PolarHBondContact N-OG1 3.08Å
140T46.1Very low60.5Low47 Ų4749 Ų4929%0.28825%0.246SC..  trans-142.4137.2164.963.80000109.4Q111 R138 T142 Q340Q111-T140 PolarHBondContact NE2-OG1 2.91Å; R138-T140 HydrophobicContact CB-CG2 4.37Å; R138-T140 PolarHBondContact O-N 2.65Å; R138-T140 VanDerWaalsContact O-N 3.17Å; T140-T142 WeakPolarHBondContact CB-OG1 3.35Å; T140-T142 PolarHBondContact O-N 3.2Å; T140-T142 PolarHBondContact OG1-OG1 3.21Å; T140-Q340 VanDerWaalsContact CA-NE2 3.27Å; T140-Q340 PolarHBondContact O-NE2 3.36Å
141S39.4Very low57.4Low100 Ų10053.7 Ų53.770%0.69928%0.277SS*.THydrogen-bonded Turntrans-63.210.7-176.246.90000114F143S141-F143 PolarHBondContact O-N 3.21Å
142T38.7Very low54.3Low70 Ų7061.5 Ų61.543%0.42932%0.316SS..THydrogen-bonded Turntrans-73.5-14.2-175.9-29.70000112.6T140 Y145T140-T142 WeakPolarHBondContact CB-OG1 3.35Å; T140-T142 PolarHBondContact O-N 3.2Å; T140-T142 PolarHBondContact OG1-OG1 3.21Å; T142-Y145 PolarHBondContact O-N 3.37Å
143F41.8Very low51Low22 Ų2270.9 Ų70.910%0.09636%0.358CS..Hα-helixtrans-69.2-31176.2-79.5-55.9000113.9S141 Y145 Y146 L168 V171S141-F143 PolarHBondContact O-N 3.21Å; F143-Y145 PolarHBondContact O-N 2.67Å; F143-Y146 PolarHBondContact O-N 3.38Å; F143-Y146 VanDerWaalsContact O-N 3.15Å; F143-L168 HydrophobicContact CE2-CD2 4.47Å; F143-L168 HydrophobicContact CZ-CD2 3.67Å; F143-V171 HydrophobicContact CD1-CG2 3.89Å; F143-V171 HydrophobicContact CE1-CB 4.01Å; F143-V171 HydrophobicContact CE1-CG1 3.93Å; F143-V171 HydrophobicContact CE1-CG2 3.07Å; F143-V171 HydrophobicContact CZ-CG2 3.72Å
144S37.9Very low47.6Very low45 Ų4575.8 Ų75.832%0.31539%0.391SS..Hα-helixtrans-59.5-33.5172.3-79.10000112.1Y146 V148S144-Y146 VanDerWaalsContact C-N 3.34Å; S144-Y146 PolarHBondContact O-N 2.97Å; S144-V148 WeakPolarHBondContact O-CG2 3.27Å
145Y36.1Very low44.3Very low175 Ų17586 Ų8669%0.68644%0.435SS*.Hα-helixtrans-73.4-23.4-180-108-88.7000113.7T142 F143 V148T142-Y145 PolarHBondContact O-N 3.37Å; F143-Y145 PolarHBondContact O-N 2.67Å; Y145-V148 WeakPolarHBondContact O-CB 3.35Å; Y145-V148 PolarHBondContact O-N 3.03Å
146Y41.3Very low41.4Very low50 Ų5088.8 Ų88.820%0.19646%0.464CS..Hα-helixtrans-74.2-31.7-176.6-109.2-74.6000113.9A115 F143 S144 V148 L149 V171 I175A115-Y146 WeakPolarHBondContact CA-OH 3.4Å; A115-Y146 HydrophobicContact CB-CE2 3.35Å; A115-Y146 WeakPolarHBondContact CB-OH 3.44Å; A115-Y146 PolarHBondContact O-OH 3.45Å; A115-Y146 VanDerWaalsContact O-OH 3.07Å; F143-Y146 PolarHBondContact O-N 3.38Å; F143-Y146 VanDerWaalsContact O-N 3.15Å; S144-Y146 VanDerWaalsContact C-N 3.34Å; S144-Y146 PolarHBondContact O-N 2.97Å; Y146-V148 PolarHBondContact O-N 3.12Å; Y146-L149 PolarHBondContact O-N 3.46Å; Y146-V171 HydrophobicContact CD2-CG1 4.48Å; Y146-V171 HydrophobicContact CG-CG1 4.47Å; Y146-I175 HydrophobicContact CD1-CD1 4.17Å; Y146-I175 HydrophobicContact CD1-CG1 4.16Å; Y146-I175 HydrophobicContact CE1-CD1 3.27Å; Y146-I175 HydrophobicContact CE1-CG1 3.44Å; Y146-I175 VanDerWaalsContact CE1-CG1 3.44Å; Y146-I175 HydrophobicContact CE2-CD1 4.41Å; Y146-I175 VanDerWaalsContact OH-CD1 3.26Å; Y146-I175 WeakPolarHBondContact OH-CD1 3.37Å
147Y40.6Very low38.9Very low82 Ų8291.5 Ų91.532%0.32249%0.485SS..Hα-helixtrans-70.2-21.3173.2-75-78.6000112.6L149 H162 R174Y147-L149 VanDerWaalsContact C-N 3.34Å; Y147-H162 HydrophobicContact CE2-CB 4.46Å; Y147-R174 VanDerWaalsContact CZ-NH1 3.27Å; Y147-R174 PolarHBondContact OH-NH1 3.36Å
148V36.6Very low36.8Very low51 Ų5199.3 Ų99.331%0.30952%0.521SS..Hα-helixtrans-71.5-28.7178-174.60000111.8S144 Y145 Y146 K150 V157 L159S144-V148 WeakPolarHBondContact O-CG2 3.27Å; Y145-V148 WeakPolarHBondContact O-CB 3.35Å; Y145-V148 PolarHBondContact O-N 3.03Å; Y146-V148 PolarHBondContact O-N 3.12Å; V148-K150 PolarHBondContact O-N 2.95Å; V148-V157 HydrophobicContact CG1-CG1 4.11Å; V148-L159 HydrophobicContact CG2-CD2 3.94Å
149L36Very low34.9Very low119 Ų119103.5 Ų103.562%0.62355%0.546SS*.THydrogen-bonded Turntrans-83.838.3179.7-66.5173.7000113.4Y146 Y147Y146-L149 PolarHBondContact O-N 3.46Å; Y147-L149 VanDerWaalsContact C-N 3.34Å
150K35.4Very low34Very low155 Ų155106.3 Ų106.367%0.67456%0.562SS**  trans-54.9135.9159.4-104.3-177177.8174.90107.8V148 I152V148-K150 PolarHBondContact O-N 2.95Å; K150-I152 PolarHBondContact O-N 2.89Å
151P33.3Very low33.8Very low110 Ų110109.7 Ų109.771%0.71458%0.579SS**  trans-52.9131.7170.9-17.227.9000108.2F153P151-F153 PolarHBondContact O-N 2.95Å
152I30.8Very low34.3Very low164 Ų164108.6 Ų108.684%0.84156%0.563SS**SBendtrans-61.679.3177.4-62.4170.1000108.5K150K150-I152 PolarHBondContact O-N 2.89Å
153F29Very low35.1Very low197 Ų197110.2 Ų110.286%0.86457%0.565SS**  trans-158.638.2169.6-88.4-68.5000110.4P151P151-F153 PolarHBondContact O-N 2.95Å
154C25Very low36.4Very low104 Ų104111.7 Ų111.770%0.70357%0.574SS**SBendtrans-151.5129.3160.7-87.70000108.4G156C154-G156 PolarHBondContact O-N 3.44Å
155K24.9Very low38.2Very low221 Ų221109.7 Ų109.796%0.96156%0.56SS**SBendtrans-57.9123.5173-71.3173.7172.9177.70109.2
156G25.1Very low40.3Very low64 Ų64102.1 Ų102.166%0.6653%0.531SS*.  trans100.5106.6174.200000113.4C154 E158C154-G156 PolarHBondContact O-N 3.44Å; G156-E158 PolarHBondContact O-N 3.11Å
157V26.3Very low42.5Very low105 Ų10599.7 Ų99.764%0.63652%0.522SS*.  trans-80.9100.8160.6179.60000105.8V148 L159V148-V157 HydrophobicContact CG1-CG1 4.11Å; V157-L159 PolarHBondContact O-N 3.05Å
158E25.8Very low44.8Very low164 Ų16496 Ų9677%0.76651%0.508SS*.  trans-82.2109.8167.9-154.6170.6-156.400106.7G156 V160G156-E158 PolarHBondContact O-N 3.11Å; E158-V160 VanDerWaalsContact C-N 3.29Å; E158-V160 WeakPolarHBondContact O-CG2 3.43Å; E158-V160 PolarHBondContact O-N 3.45Å
159L30.4Very low47.4Very low127 Ų12793.7 Ų93.767%0.66549%0.494SS*.  trans-67.393.8169.4-75.8164.7000106.7V148 V157 D161V148-L159 HydrophobicContact CG2-CD2 3.94Å; V157-L159 PolarHBondContact O-N 3.05Å; L159-D161 PolarHBondContact O-N 2.94Å
160V33.7Very low50Low60 Ų6090 Ų9036%0.36448%0.477SS..  trans-82.7100.9171.6-143.90000106.3E158 H162E158-V160 VanDerWaalsContact C-N 3.29Å; E158-V160 WeakPolarHBondContact O-CG2 3.43Å; E158-V160 PolarHBondContact O-N 3.45Å; V160-H162 VanDerWaalsContact CG1-CD2 3.48Å; V160-H162 WeakPolarHBondContact CG1-CD2 3.46Å; V160-H162 WeakPolarHBondContact CG1-NE2 3.5Å; V160-H162 PolarHBondContact O-N 3.37Å
161D41.4Very low52.5Low118 Ų11883.2 Ų83.263%0.63145%0.448SS*.  trans-63.577.6171.7-85.7-27.5000109.3L159 H163L159-D161 PolarHBondContact O-N 2.94Å; D161-H163 PolarHBondContact O-N 3.46Å
162H49Very low55.2Low78 Ų7878 Ų7836%0.36141%0.414SS..  trans-93.792.6170-74.8-53.6000108.4Y147 V160 D164Y147-H162 HydrophobicContact CE2-CB 4.46Å; V160-H162 VanDerWaalsContact CG1-CD2 3.48Å; V160-H162 WeakPolarHBondContact CG1-CD2 3.46Å; V160-H162 WeakPolarHBondContact CG1-NE2 3.5Å; V160-H162 PolarHBondContact O-N 3.37Å; H162-D164 PolarHBondContact O-N 3.41Å
163H57.4Low58.2Low104 Ų10472.2 Ų72.248%0.48139%0.388SS..  trans-64.211.3165.7-69.2-72.7000113.6D161D161-H163 PolarHBondContact O-N 3.46Å
164D68.8Low61.1Low53 Ų5369.2 Ų69.228%0.28337%0.371SS..  trans-82.9136.3-172.1-70.7-8.6000111H162 V166 M344 R348H162-D164 PolarHBondContact O-N 3.41Å; D164-V166 PolarHBondContact O-N 3.06Å; D164-M344 HydrophobicContact CB-SD 4.47Å; D164-R348 IonicContact OD1-CZ 3.23Å; D164-R348 IonicContact OD1-NE 2.79Å; D164-R348 IonicContact OD1-NH2 3.97Å; D164-R348 PolarHBondContact OD1-NH2 3.02Å; D164-R348 IonicContact OD2-NH2 2.95Å; D164-R348 PolarHBondContact OD2-NH2 3.33Å
165I75.5Confident64.2Low3 Ų365 Ų652%0.01534%0.342CS..  trans-70.2120.9167.6-166.8170.2000109V137 L235 A238 F274 L278 L341 M344V137-I165 HydrophobicContact CG1-CD1 4.14Å; V137-I165 HydrophobicContact CG1-CG1 4.25Å; I165-L235 HydrophobicContact CD1-CD2 3.94Å; I165-L235 HydrophobicContact CG1-CD2 3.89Å; I165-L235 HydrophobicContact CG2-CD2 3.94Å; I165-A238 HydrophobicContact CD1-CB 4.1Å; I165-F274 HydrophobicContact CG2-CE1 3.96Å; I165-F274 HydrophobicContact CG2-CZ 4.35Å; I165-L278 HydrophobicContact CG2-CD1 3.58Å; I165-L341 HydrophobicContact CD1-CD2 4.41Å; I165-L341 HydrophobicContact CG2-CD2 4.44Å; I165-M344 HydrophobicContact CB-CE 3.88Å; I165-M344 HydrophobicContact CG2-CE 3.71Å; I165-M344 HydrophobicContact CG2-SD 4.4Å
166V80.5Confident67.3Low15 Ų1555.2 Ų55.29%0.09130%0.299CS..  trans-111.7136.9-179.4-173.10000109.5D164 L168 T170 V171D164-V166 PolarHBondContact O-N 3.06Å; V166-L168 PolarHBondContact O-N 3.28Å; V166-T170 HydrophobicContact CG1-CG2 3.92Å; V166-V171 HydrophobicContact CG1-CG2 4.16Å
167P87.4Confident70.6Confident0 Ų059.4 Ų59.40%030%0.301CS..  trans-53.4135.1169.3-26.834.3000111.6S169 T170 V171 P231 E234 Y279P167-S169 PolarHBondContact O-N 3.38Å; P167-T170 WeakPolarHBondContact O-CB 3.48Å; P167-T170 PolarHBondContact O-N 2.85Å; P167-T170 VanDerWaalsContact O-N 3.12Å; P167-V171 WeakPolarHBondContact O-CG2 3.07Å; P167-V171 PolarHBondContact O-N 2.79Å; P167-P231 HydrophobicContact CG-CB 3.99Å; P167-E234 VanDerWaalsContact C-OE2 3.29Å; P167-E234 VanDerWaalsContact CA-OE2 3.26Å; P167-E234 WeakPolarHBondContact CA-OE2 3.48Å; P167-E234 HydrophobicContact CB-CB 4.44Å; P167-E234 WeakPolarHBondContact CB-OE2 3.25Å; P167-Y279 WeakPolarHBondContact CD-OH 3.26Å
168L88.8Confident73.9Confident4 Ų454.8 Ų54.82%0.02127%0.274CS..Hα-helixtrans-64.1-31.2177.3-68.4170.4000111.4Q111 L114 V135 V137 F143 V166 T170 V171 I172 E234Q111-L168 HydrophobicContact CG-CD1 4.41Å; Q111-L168 HydrophobicContact CG-CD2 4.13Å; L114-L168 HydrophobicContact CD2-CB 4.01Å; L114-L168 HydrophobicContact CD2-CD1 4.23Å; L114-L168 HydrophobicContact CD2-CD2 3.71Å; L114-L168 HydrophobicContact CD2-CG 4.2Å; V135-L168 HydrophobicContact CB-CD1 3.8Å; V135-L168 HydrophobicContact CG1-CD1 3.59Å; V137-L168 HydrophobicContact CB-CD1 4.37Å; V137-L168 HydrophobicContact CG2-CD1 3.9Å; V137-L168 HydrophobicContact CG2-CG 3.97Å; F143-L168 HydrophobicContact CE2-CD2 4.47Å; F143-L168 HydrophobicContact CZ-CD2 3.67Å; V166-L168 PolarHBondContact O-N 3.28Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.37Å; L168-V171 WeakPolarHBondContact O-CB 3.16Å; L168-V171 PolarHBondContact O-N 2.88Å; L168-V171 VanDerWaalsContact O-N 3.1Å; L168-I172 WeakPolarHBondContact O-CD1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 2.95Å; L168-I172 PolarHBondContact O-N 2.81Å; L168-E234 PolarHBondContact N-OE2 3.25Å
169S91.7Very high77.2Confident2 Ų251.7 Ų51.71%0.01426%0.255CS..Hα-helixtrans-55.8-43.2170.846.60000112.8P167 V171 I172 S173 E234P167-S169 PolarHBondContact O-N 3.38Å; S169-V171 PolarHBondContact O-N 2.76Å; S169-I172 PolarHBondContact O-N 3.08Å; S169-S173 WeakPolarHBondContact O-CB 3.48Å; S169-S173 PolarHBondContact O-N 3.12Å; S169-E234 WeakPolarHBondContact CA-OE1 3.46Å; S169-E234 WeakPolarHBondContact CB-OE1 3.4Å; S169-E234 PolarHBondContact N-OE1 2.85Å; S169-E234 PolarHBondContact N-OE2 3.16Å; S169-E234 PolarHBondContact OG-OE1 2.93Å
170T90Very high80.4Confident43 Ų4346.1 Ų46.126%0.26423%0.226SC..Hα-helixtrans-60.6-37.3177.4-62.90000110.7V166 P167 L168 R174V166-T170 HydrophobicContact CG1-CG2 3.92Å; P167-T170 WeakPolarHBondContact O-CB 3.48Å; P167-T170 PolarHBondContact O-N 2.85Å; P167-T170 VanDerWaalsContact O-N 3.12Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.37Å; T170-R174 WeakPolarHBondContact O-CB 3.48Å; T170-R174 WeakPolarHBondContact O-CG 3.44Å; T170-R174 PolarHBondContact O-N 3.34Å
171V88Confident83.5Confident12 Ų1243.3 Ų43.37%0.07321%0.209CC..Hα-helixtrans-74.3-48.5-176.4177.30000110.1F143 Y146 V166 P167 L168 S169 S173 R174 I175F143-V171 HydrophobicContact CD1-CG2 3.89Å; F143-V171 HydrophobicContact CE1-CB 4.01Å; F143-V171 HydrophobicContact CE1-CG1 3.93Å; F143-V171 HydrophobicContact CE1-CG2 3.07Å; F143-V171 HydrophobicContact CZ-CG2 3.72Å; Y146-V171 HydrophobicContact CD2-CG1 4.48Å; Y146-V171 HydrophobicContact CG-CG1 4.47Å; V166-V171 HydrophobicContact CG1-CG2 4.16Å; P167-V171 WeakPolarHBondContact O-CG2 3.07Å; P167-V171 PolarHBondContact O-N 2.79Å; L168-V171 WeakPolarHBondContact O-CB 3.16Å; L168-V171 PolarHBondContact O-N 2.88Å; L168-V171 VanDerWaalsContact O-N 3.1Å; S169-V171 PolarHBondContact O-N 2.76Å; V171-S173 VanDerWaalsContact C-N 3.29Å; V171-S173 PolarHBondContact O-N 3.27Å; V171-R174 PolarHBondContact O-N 2.83Å; V171-I175 HydrophobicContact CG1-CD1 3.9Å; V171-I175 WeakPolarHBondContact O-CD1 3.24Å; V171-I175 VanDerWaalsContact O-CG1 3.24Å; V171-I175 WeakPolarHBondContact O-CG1 3.43Å; V171-I175 PolarHBondContact O-N 3.27Å
172I90.7Very high86.1Confident1 Ų137.7 Ų37.71%0.00518%0.179CC..Hα-helixtrans-57.5-46.7174.1-63.4156.5000109.8L107 L114 L168 S169 R174 I175 L176 V180L107-I172 HydrophobicContact CD1-CB 4.31Å; L107-I172 HydrophobicContact CD1-CD1 3.58Å; L107-I172 HydrophobicContact CD1-CG1 3.91Å; L107-I172 HydrophobicContact CD1-CG2 3.42Å; L107-I172 VanDerWaalsContact CD1-CG2 3.42Å; L114-I172 HydrophobicContact CD1-CD1 4.04Å; L114-I172 HydrophobicContact CD1-CG1 4.03Å; L114-I172 HydrophobicContact CD2-CD1 3.97Å; L114-I172 HydrophobicContact CD2-CG1 3.92Å; L114-I172 HydrophobicContact CG-CD1 4.45Å; L114-I172 HydrophobicContact CG-CG1 4.15Å; L168-I172 WeakPolarHBondContact O-CD1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 2.95Å; L168-I172 PolarHBondContact O-N 2.81Å; S169-I172 PolarHBondContact O-N 3.08Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.98Å; I172-I175 PolarHBondContact O-N 3.46Å; I172-L176 HydrophobicContact CG2-CD1 3.82Å; I172-L176 HydrophobicContact CG2-CG 4.44Å; I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 PolarHBondContact O-N 3.19Å; I172-V180 HydrophobicContact CB-CG1 4.32Å; I172-V180 HydrophobicContact CB-CG2 4.06Å; I172-V180 HydrophobicContact CD1-CG1 4.24Å; I172-V180 HydrophobicContact CG2-CG1 4.27Å; I172-V180 HydrophobicContact CG2-CG2 3.66Å
173S92.4Very high88.4Confident42 Ų4234.1 Ų34.129%0.29416%0.163SC..Hα-helixtrans-59.9-42.6-180-177.50000111.7S169 V171 H177 V178S169-S173 WeakPolarHBondContact O-CB 3.48Å; S169-S173 PolarHBondContact O-N 3.12Å; V171-S173 VanDerWaalsContact C-N 3.29Å; V171-S173 PolarHBondContact O-N 3.27Å; S173-H177 WeakPolarHBondContact O-CA 3.33Å; S173-H177 PolarHBondContact O-N 2.97Å; S173-V178 WeakPolarHBondContact CA-O 3.48Å; S173-V178 VanDerWaalsContact CB-O 3.28Å; S173-V178 WeakPolarHBondContact CB-O 3.46Å; S173-V178 PolarHBondContact OG-O 2.86Å
174R90.4Very high90.3Very high134 Ų13429.1 Ų29.151%0.50614%0.14SC..Hα-helixtrans-65.6-39.1176.5-75.6172.5-176.9-173.53113.3Y147 T170 V171 I172 H177Y147-R174 VanDerWaalsContact CZ-NH1 3.27Å; Y147-R174 PolarHBondContact OH-NH1 3.36Å; T170-R174 WeakPolarHBondContact O-CB 3.48Å; T170-R174 WeakPolarHBondContact O-CG 3.44Å; T170-R174 PolarHBondContact O-N 3.34Å; V171-R174 PolarHBondContact O-N 2.83Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.98Å; R174-H177 PolarHBondContact O-CE1 3.18Å
175I89.6Confident91.5Very high16 Ų1626.6 Ų26.68%0.08213%0.126CC..Hα-helixtrans-73.5-47.8-179-62160.7000111C118 V122 Y146 V171 I172C118-I175 HydrophobicContact CB-CB 4.15Å; C118-I175 HydrophobicContact CB-CD1 3.9Å; C118-I175 HydrophobicContact CB-CG2 3.66Å; V122-I175 HydrophobicContact CG2-CG2 3.75Å; Y146-I175 HydrophobicContact CD1-CD1 4.17Å; Y146-I175 HydrophobicContact CD1-CG1 4.16Å; Y146-I175 HydrophobicContact CE1-CD1 3.27Å; Y146-I175 HydrophobicContact CE1-CG1 3.44Å; Y146-I175 VanDerWaalsContact CE1-CG1 3.44Å; Y146-I175 HydrophobicContact CE2-CD1 4.41Å; Y146-I175 VanDerWaalsContact OH-CD1 3.26Å; Y146-I175 WeakPolarHBondContact OH-CD1 3.37Å; V171-I175 HydrophobicContact CG1-CD1 3.9Å; V171-I175 WeakPolarHBondContact O-CD1 3.24Å; V171-I175 VanDerWaalsContact O-CG1 3.24Å; V171-I175 WeakPolarHBondContact O-CG1 3.43Å; V171-I175 PolarHBondContact O-N 3.27Å; I172-I175 PolarHBondContact O-N 3.46Å
176L91.5Very high92.3Very high14 Ų1427.3 Ų27.37%0.07313%0.132CC..Hα-helixtrans-93.6-10.2-170.8-63.9-177.9000113.5L105 C118 M121 V122 V125 I172 V178L105-L176 HydrophobicContact CD2-CD1 3.99Å; C118-L176 HydrophobicContact CB-CD1 4.32Å; C118-L176 HydrophobicContact CB-CD2 4.11Å; C118-L176 HydrophobicContact CB-CG 4.08Å; C118-L176 WeakPolarHBondContact O-CD2 3.3Å; M121-L176 HydrophobicContact CB-CD2 3.94Å; M121-L176 HydrophobicContact CE-CD1 4.09Å; V122-L176 HydrophobicContact CG2-CD2 4.44Å; V125-L176 HydrophobicContact CG2-CD1 4.4Å; V125-L176 HydrophobicContact CG2-CD2 4.07Å; I172-L176 HydrophobicContact CG2-CD1 3.82Å; I172-L176 HydrophobicContact CG2-CG 4.44Å; I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 PolarHBondContact O-N 3.19Å; L176-V178 VanDerWaalsContact C-N 3.31Å; L176-V178 HydrophobicContact CB-CG2 3.87Å; L176-V178 PolarHBondContact O-N 3.11Å
177H93.5Very high92.4Very high152 Ų15227.2 Ų27.270%0.70413%0.131SC*.THydrogen-bonded Turntrans55.342.1-175.4-58.6-66000113.5S173 R174S173-H177 WeakPolarHBondContact O-CA 3.33Å; S173-H177 PolarHBondContact O-N 2.97Å; R174-H177 PolarHBondContact O-CE1 3.18Å
178V94.5Very high92.3Very high9 Ų931.7 Ų31.76%0.05516%0.155CC..SBendtrans-127.6160.2177.1-63.50000111.6V125 A129 S173 L176 V180V125-V178 HydrophobicContact CG1-CG1 3.78Å; A129-V178 HydrophobicContact CB-CG1 4.4Å; S173-V178 WeakPolarHBondContact CA-O 3.48Å; S173-V178 VanDerWaalsContact CB-O 3.28Å; S173-V178 WeakPolarHBondContact CB-O 3.46Å; S173-V178 PolarHBondContact OG-O 2.86Å; L176-V178 VanDerWaalsContact C-N 3.31Å; L176-V178 HydrophobicContact CB-CG2 3.87Å; L176-V178 PolarHBondContact O-N 3.11Å; V178-V180 HydrophobicContact CG2-CG2 4.06Å
179R96.4Very high92.3Very high98 Ų9832.5 Ų32.537%0.3716%0.162SC..EExtended strand (participates in β ladder)trans-69.9138.1169.5-67.5177.3-64.3141.522.6109.1V130 G131 D206 D209V130-R179 VanDerWaalsContact CG2-NH2 3.33Å; G131-R179 PolarHBondContact N-O 3.16Å; R179-D206 IonicContact NH1-OD1 3.16Å; R179-D206 IonicContact NH1-OD2 2.91Å; R179-D206 PolarHBondContact NH1-OD2 3.32Å; R179-D209 VanDerWaalsContact CZ-CG 3.42Å; R179-D209 IonicContact CZ-OD1 3.49Å; R179-D209 VanDerWaalsContact CZ-OD1 3.23Å; R179-D209 IonicContact CZ-OD2 2.59Å; R179-D209 IonicContact NE-OD2 3.53Å; R179-D209 IonicContact NH1-OD1 3.99Å; R179-D209 PolarHBondContact NH1-OD1 2.82Å; R179-D209 IonicContact NH1-OD2 2.97Å; R179-D209 PolarHBondContact NH1-OD2 3.08Å; R179-D209 VanDerWaalsContact NH2-CG 3.29Å; R179-D209 IonicContact NH2-OD1 2.96Å; R179-D209 PolarHBondContact NH2-OD1 3.12Å; R179-D209 IonicContact NH2-OD2 2.9Å; R179-D209 PolarHBondContact NH2-OD2 3.13Å
180V97Very high92.1Very high11 Ų1136.5 Ų36.57%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-133.2122-175.9-174.60000110.4G131 I172 V178 L230G131-V180 CarbonylContact O-C 3.57Å; G131-V180 WeakPolarHBondContact O-CA 3.46Å; I172-V180 HydrophobicContact CB-CG1 4.32Å; I172-V180 HydrophobicContact CB-CG2 4.06Å; I172-V180 HydrophobicContact CD1-CG1 4.24Å; I172-V180 HydrophobicContact CG2-CG1 4.27Å; I172-V180 HydrophobicContact CG2-CG2 3.66Å; V178-V180 HydrophobicContact CG2-CG2 4.06Å; V180-L230 WeakPolarHBondContact O-CD2 3.44Å
181A98.2Very high92.3Very high1 Ų138.4 Ų38.41%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-89.3173.9168.200000111.1G131 I132 S133 I202 G203 V204 L213G131-A181 PolarHBondContact O-N 2.73Å; I132-A181 CarbonylContact C-O 3.56Å; I132-A181 WeakPolarHBondContact CA-O 3.26Å; I132-A181 HydrophobicContact CB-CB 4.27Å; I132-A181 HydrophobicContact CD1-CB 4.36Å; I132-A181 HydrophobicContact CG1-CB 4.02Å; S133-A181 PolarHBondContact N-O 3.31Å; A181-I202 HydrophobicContact CB-CG2 4.3Å; A181-G203 CarbonylContact C-O 3.6Å; A181-G203 VanDerWaalsContact CA-O 3.26Å; A181-G203 WeakPolarHBondContact CA-O 3.38Å; A181-G203 VanDerWaalsContact CB-O 3.31Å; A181-G203 WeakPolarHBondContact CB-O 3.39Å; A181-V204 HydrophobicContact CB-CB 4Å; A181-V204 HydrophobicContact CB-CG2 3.91Å; A181-L213 HydrophobicContact CB-CD1 3.49Å; A181-L213 VanDerWaalsContact CB-CD1 3.49Å
182A97.2Very high92.6Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-130.7146170.100000111.7S133 M184 I202 G203 L230 E234S133-A182 CarbonylContact O-C 3.56Å; S133-A182 VanDerWaalsContact O-CA 3.22Å; S133-A182 WeakPolarHBondContact O-CA 3.34Å; A182-M184 HydrophobicContact CB-CE 4.2Å; A182-I202 CarbonylContact O-C 3.52Å; A182-I202 WeakPolarHBondContact O-CA 3.37Å; A182-G203 PolarHBondContact N-O 2.77Å; A182-G203 PolarHBondContact O-N 3.2Å; A182-L230 HydrophobicContact CB-CD1 3.43Å; A182-L230 VanDerWaalsContact CB-CD1 3.43Å; A182-E234 HydrophobicContact CB-CG 3.39Å; A182-E234 WeakPolarHBondContact CB-OE1 3.21Å
183L97.8Very high92.8Very high2 Ų238.4 Ų38.41%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-118115.5170.6-174.2156.8000109.5W13 I132 S133 T134 A200 T201 I202 F217 F222 I224W13-L183 HydrophobicContact CZ2-CD2 3.99Å; I132-L183 HydrophobicContact CD1-CB 3.87Å; I132-L183 HydrophobicContact CD1-CD1 4.49Å; I132-L183 HydrophobicContact CG1-CB 4.31Å; S133-L183 PolarHBondContact O-N 2.99Å; T134-L183 HydrophobicContact CG2-CB 4.07Å; L183-A200 HydrophobicContact CD2-CB 3.95Å; L183-A200 HydrophobicContact CG-CB 4.24Å; L183-T201 WeakPolarHBondContact CA-O 3.44Å; L183-I202 HydrophobicContact CB-CG1 4.3Å; L183-I202 HydrophobicContact CD1-CD1 4.34Å; L183-I202 HydrophobicContact CD1-CG1 4.2Å; L183-I202 HydrophobicContact CG-CG1 4.23Å; L183-F217 HydrophobicContact CD1-CB 4.28Å; L183-F217 HydrophobicContact CD1-CD1 3.6Å; L183-F217 HydrophobicContact CD1-CD2 4.21Å; L183-F217 HydrophobicContact CD1-CE1 3.9Å; L183-F217 HydrophobicContact CD1-CG 3.77Å; L183-F217 HydrophobicContact CD1-CZ 4.35Å; L183-F222 HydrophobicContact CD1-CE1 4.33Å; L183-F222 HydrophobicContact CD2-CZ 4.25Å; L183-I224 HydrophobicContact CD1-CD1 4.31Å
184M95.8Very high93Very high0 Ų041 Ų410%020%0.197CC..EExtended strand (participates in β ladder)trans-133.3152.3-179.7-58.8-62.2155.100110.5V135 K136 A182 T201 V233 E234 C291V135-M184 VanDerWaalsContact O-CE 3.26Å; V135-M184 WeakPolarHBondContact O-CE 3.36Å; K136-M184 HydrophobicContact CG-SD 4.06Å; A182-M184 HydrophobicContact CB-CE 4.2Å; M184-T201 PolarHBondContact N-O 3.27Å; M184-T201 PolarHBondContact O-N 3.26Å; M184-V233 HydrophobicContact CB-CG1 3.79Å; M184-V233 HydrophobicContact CG-CG1 3.79Å; M184-V233 WeakPolarHBondContact CG-O 3.46Å; M184-E234 HydrophobicContact CE-CG 4.18Å; M184-C291 HydrophobicContact CB-CB 3.64Å
185G94.7Very high93.2Very high0 Ų039 Ų390%019%0.192CC..SBendtrans167.9176.5-179.900000113.9K136 N187 S290 D295K136-G185 PolarHBondContact NZ-O 2.88Å; G185-N187 PolarHBondContact O-N 2.87Å; G185-N187 PolarHBondContact O-OD1 3.08Å; G185-S290 WeakPolarHBondContact CA-OG 3.25Å; G185-D295 VanDerWaalsContact C-CG 3.42Å
186A92.3Very high93.5Very high17 Ų1743.3 Ų43.314%0.1421%0.212CC..SBendtrans-76.872.5172.800000110.8S290 A294 D295A186-S290 PolarHBondContact N-OG 3.48Å; A186-S290 VanDerWaalsContact N-OG 3.16Å; A186-A294 HydrophobicContact CB-CB 4.1Å; A186-D295 HydrophobicContact CB-CB 4.41Å
187N83.1Confident93.8Very high14 Ų1448.7 Ų48.78%0.07523%0.234CC..  trans-131.2109-171.152.72.1000112.8W13 K136 G185 V192 F222W13-N187 HydrophobicContact CH2-CB 3.76Å; W13-N187 WeakPolarHBondContact CH2-ND2 3.32Å; W13-N187 WeakPolarHBondContact CZ2-ND2 2.77Å; W13-N187 HydrophobicContact CZ3-CB 4.15Å; K136-N187 PolarHBondContact NZ-OD1 2.84Å; G185-N187 PolarHBondContact O-N 2.87Å; G185-N187 PolarHBondContact O-OD1 3.08Å; N187-V192 HydrophobicContact CB-CG2 3.99Å; N187-F222 HydrophobicContact CB-CE2 4.18Å
188L85.5Confident94Very high94 Ų9442 Ų4249%0.49221%0.205SC..  trans-86.3134168.9-64.7178.9000109.7L190 E191 V192L188-L190 VanDerWaalsContact C-N 3.31Å; L188-L190 PolarHBondContact O-N 2.95Å; L188-E191 HydrophobicContact CB-CB 4.32Å; L188-E191 HydrophobicContact CB-CG 4.16Å; L188-E191 PolarHBondContact O-N 3.2Å; L188-V192 WeakPolarHBondContact O-CG2 2.95Å; L188-V192 PolarHBondContact O-N 2.84Å
189A87.2Confident94.1Very high20 Ų2046.1 Ų46.117%0.16522%0.224CC..Hα-helixtrans-56.7-43-173.100000113.5W13 A16 A193W13-A189 HydrophobicContact CB-CB 4.46Å; W13-A189 HydrophobicContact CE3-CB 3.81Å; A16-A189 HydrophobicContact CB-CB 4.17Å; A16-A189 VanDerWaalsContact CB-O 3.22Å; A16-A189 WeakPolarHBondContact CB-O 3.31Å; A189-A193 WeakPolarHBondContact O-CB 3.39Å; A189-A193 PolarHBondContact O-N 3.45Å
190L89.4Confident94.2Very high86 Ų8641.6 Ų41.645%0.4521%0.207SC..Hα-helixtrans-65.9-48-179.6-177.760.7000111.4L62 I65 L188 V192 A193 E194L62-L190 HydrophobicContact CD1-CD1 4.26Å; I65-L190 HydrophobicContact CD1-CD1 4.34Å; I65-L190 HydrophobicContact CG1-CD1 4.33Å; L188-L190 VanDerWaalsContact C-N 3.31Å; L188-L190 PolarHBondContact O-N 2.95Å; L190-V192 VanDerWaalsContact C-N 3.31Å; L190-V192 PolarHBondContact O-N 2.95Å; L190-A193 CarbonylContact O-C 3.1Å; L190-A193 WeakPolarHBondContact O-CB 3.35Å; L190-A193 PolarHBondContact O-N 3.29Å; L190-A193 VanDerWaalsContact O-N 3.09Å; L190-E194 HydrophobicContact CD1-CG 4.11Å; L190-E194 HydrophobicContact CG-CG 4.35Å; L190-E194 WeakPolarHBondContact O-CB 3.42Å; L190-E194 WeakPolarHBondContact O-CG 3.47Å; L190-E194 PolarHBondContact O-N 2.59Å
191E93.2Very high94.2Very high83 Ų8341 Ų4139%0.38820%0.204SC..Hα-helixtrans-60-41.8179.6-68.2177174.100111.9L188 E194 K195 Q196L188-E191 HydrophobicContact CB-CB 4.32Å; L188-E191 HydrophobicContact CB-CG 4.16Å; L188-E191 PolarHBondContact O-N 3.2Å; E191-E194 CarbonylContact O-C 3.59Å; E191-E194 PolarHBondContact O-N 3.05Å; E191-K195 PolarHBondContact O-N 2.9Å; E191-Q196 HydrophobicContact CB-CB 4.08Å; E191-Q196 HydrophobicContact CB-CG 4.3Å; E191-Q196 WeakPolarHBondContact O-CB 3.24Å; E191-Q196 PolarHBondContact O-N 3.02Å
192V94.8Very high94.3Very high6 Ų641 Ų414%0.03620%0.203CC..Hα-helixtrans-61.9-44.4175171.70000111.2W13 I20 N187 L188 L190 K195 C198 F222W13-V192 HydrophobicContact CH2-CB 4.45Å; W13-V192 HydrophobicContact CH2-CG1 4.28Å; W13-V192 HydrophobicContact CH2-CG2 3.97Å; W13-V192 HydrophobicContact CZ3-CB 3.95Å; W13-V192 HydrophobicContact CZ3-CG1 4.11Å; W13-V192 HydrophobicContact CZ3-CG2 3.73Å; I20-V192 HydrophobicContact CD1-CG1 3.37Å; I20-V192 HydrophobicContact CG1-CG1 4.47Å; N187-V192 HydrophobicContact CB-CG2 3.99Å; L188-V192 WeakPolarHBondContact O-CG2 2.95Å; L188-V192 PolarHBondContact O-N 2.84Å; L190-V192 VanDerWaalsContact C-N 3.31Å; L190-V192 PolarHBondContact O-N 2.95Å; V192-K195 PolarHBondContact O-N 3.18Å; V192-K195 VanDerWaalsContact O-N 3.11Å; V192-C198 VanDerWaalsContact CG2-SG 3.58Å; V192-F222 HydrophobicContact CG2-CD2 4.29Å; V192-F222 HydrophobicContact CG2-CE2 4.14Å
193A94.4Very high94.3Very high7 Ų741 Ų416%0.05820%0.203CC..Hα-helixtrans-67.5-34.3178.600000113.3A16 L62 I65 A189 L190 K195A16-A193 HydrophobicContact CB-CB 4.02Å; L62-A193 HydrophobicContact CD1-CB 4.26Å; L62-A193 HydrophobicContact CD2-CB 3.75Å; L62-A193 HydrophobicContact CG-CB 4.42Å; I65-A193 HydrophobicContact CD1-CB 4.23Å; I65-A193 HydrophobicContact CG1-CB 4Å; I65-A193 HydrophobicContact CG2-CB 3.95Å; A189-A193 WeakPolarHBondContact O-CB 3.39Å; A189-A193 PolarHBondContact O-N 3.45Å; L190-A193 CarbonylContact O-C 3.1Å; L190-A193 WeakPolarHBondContact O-CB 3.35Å; L190-A193 PolarHBondContact O-N 3.29Å; L190-A193 VanDerWaalsContact O-N 3.09Å; A193-K195 PolarHBondContact O-N 3.16Å
194E95.8Very high94.3Very high97 Ų9741.2 Ų41.245%0.45321%0.205SC..THydrogen-bonded Turntrans-77.53173.3-69.9178.9157.200112.9I65 L190 E191 Q196I65-E194 HydrophobicContact CD1-CG 3.88Å; L190-E194 HydrophobicContact CD1-CG 4.11Å; L190-E194 HydrophobicContact CG-CG 4.35Å; L190-E194 WeakPolarHBondContact O-CB 3.42Å; L190-E194 WeakPolarHBondContact O-CG 3.47Å; L190-E194 PolarHBondContact O-N 2.59Å; E191-E194 CarbonylContact O-C 3.59Å; E191-E194 PolarHBondContact O-N 3.05Å; E194-Q196 HydrophobicContact CB-CG 4.26Å; E194-Q196 PolarHBondContact O-N 3.28Å
195K95.8Very high94.3Very high93 Ų9347.8 Ų47.840%0.40424%0.235SC..THydrogen-bonded Turntrans58.933-179.4-48.4-175.8-179.4-163.80112.4E23 E191 V192 A193 N221E23-K195 VanDerWaalsContact CD-NZ 3.28Å; E23-K195 WeakPolarHBondContact OE1-CE 3.49Å; E23-K195 IonicContact OE1-NZ 3.69Å; E23-K195 PolarHBondContact OE1-NZ 3.39Å; E23-K195 IonicContact OE2-NZ 2.88Å; E23-K195 PolarHBondContact OE2-NZ 3.32Å; E23-K195 VanDerWaalsContact OE2-NZ 3.16Å; E191-K195 PolarHBondContact O-N 2.9Å; V192-K195 PolarHBondContact O-N 3.18Å; V192-K195 VanDerWaalsContact O-N 3.11Å; A193-K195 PolarHBondContact O-N 3.16Å; K195-N221 WeakPolarHBondContact O-CB 3.49Å; K195-N221 VanDerWaalsContact O-CG 3.23Å; K195-N221 PolarHBondContact O-ND2 3.4Å
196Q96.4Very high94.4Very high106 Ų10650.3 Ų50.350%0.49525%0.249SC..  trans-68.8149167.6-60.8-58.4-47.300109.8E191 E194 C198E191-Q196 HydrophobicContact CB-CB 4.08Å; E191-Q196 HydrophobicContact CB-CG 4.3Å; E191-Q196 WeakPolarHBondContact O-CB 3.24Å; E191-Q196 PolarHBondContact O-N 3.02Å; E194-Q196 HydrophobicContact CB-CG 4.26Å; E194-Q196 PolarHBondContact O-N 3.28Å; Q196-C198 PolarHBondContact O-N 2.83Å
197F97Very high94.5Very high126 Ų12657 Ų5755%0.55328%0.277SS*.  trans-66.5126-179.3178.3-90.5000111E199 N221 L223F197-E199 HydrophobicContact CE1-CG 4.32Å; F197-E199 HydrophobicContact CZ-CG 4.25Å; F197-N221 CarbonylContact C-O 3.48Å; F197-N221 WeakPolarHBondContact CA-O 3.47Å; F197-L223 HydrophobicContact CE2-CD1 3.69Å; F197-L223 HydrophobicContact CE2-CG 4Å; F197-L223 HydrophobicContact CZ-CD1 3.84Å; F197-L223 HydrophobicContact CZ-CG 4.41Å
198C96.5Very high95.2Very high13 Ų1364.5 Ų64.59%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-158.4175.4171.554.90000111.1V192 Q196 N221 F222 L223V192-C198 VanDerWaalsContact CG2-SG 3.58Å; Q196-C198 PolarHBondContact O-N 2.83Å; C198-N221 PolarHBondContact N-O 2.85Å; C198-F222 WeakPolarHBondContact O-CA 3.26Å; C198-F222 WeakPolarHBondContact SG-CD2 3.39Å; C198-L223 PolarHBondContact O-N 3.04Å
199E97.3Very high95.8Very high95 Ų9560.6 Ų60.644%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-132.3150.5-174.9-53-177.7-161.800110.5F197 L223 S290F197-E199 HydrophobicContact CE1-CG 4.32Å; F197-E199 HydrophobicContact CZ-CG 4.25Å; E199-L223 CarbonylContact C-O 3.53Å; E199-L223 WeakPolarHBondContact CA-O 3.35Å; E199-L223 HydrophobicContact CG-CB 4.23Å; E199-S290 PolarHBondContact O-OG 3.35Å
200A97.9Very high96.3Very high2 Ų259.7 Ų59.72%0.01728%0.282CS..EExtended strand (participates in β ladder)trans-140.3159.4169.400000111.4L183 F222 L223 I224 N225L183-A200 HydrophobicContact CD2-CB 3.95Å; L183-A200 HydrophobicContact CG-CB 4.24Å; A200-F222 HydrophobicContact CB-CE1 4.39Å; A200-F222 HydrophobicContact CB-CE2 3.79Å; A200-F222 HydrophobicContact CB-CZ 3.56Å; A200-L223 PolarHBondContact N-O 2.87Å; A200-I224 HydrophobicContact CB-CD1 3.9Å; A200-I224 WeakPolarHBondContact O-CA 3.43Å; A200-N225 PolarHBondContact O-N 3.44Å
201T98.6Very high96.7Very high0 Ų058.8 Ų58.80%029%0.286CS..EExtended strand (participates in β ladder)trans-110.7128.4178.4-46.90000108.9L183 M184 N225 V227 V233 E289 S290 C291L183-T201 WeakPolarHBondContact CA-O 3.44Å; M184-T201 PolarHBondContact N-O 3.27Å; M184-T201 PolarHBondContact O-N 3.26Å; T201-N225 CarbonylContact C-O 3.52Å; T201-N225 WeakPolarHBondContact CA-O 3.33Å; T201-V227 HydrophobicContact CG2-CG1 4.1Å; T201-V227 HydrophobicContact CG2-CG2 3.63Å; T201-V233 HydrophobicContact CG2-CG2 3.85Å; T201-E289 HydrophobicContact CG2-CB 4.02Å; T201-E289 HydrophobicContact CG2-CG 4.27Å; T201-E289 WeakPolarHBondContact OG1-CB 3.29Å; T201-S290 PolarHBondContact OG1-N 2.93Å; T201-C291 PolarHBondContact OG1-N 2.6Å; T201-C291 VanDerWaalsContact OG1-N 3.11Å
202I98.6Very high96.9Very high0 Ų055.7 Ų55.70%027%0.272CS..EExtended strand (participates in β ladder)trans-97.4115.9167.7-66.6-177.9000108.8I132 A181 A182 L183 V204 L213 F217 I224 N225 V226 V227I132-I202 HydrophobicContact CD1-CD1 4.06Å; I132-I202 HydrophobicContact CD1-CG1 4.3Å; I132-I202 HydrophobicContact CD1-CG2 4.43Å; A181-I202 HydrophobicContact CB-CG2 4.3Å; A182-I202 CarbonylContact O-C 3.52Å; A182-I202 WeakPolarHBondContact O-CA 3.37Å; L183-I202 HydrophobicContact CB-CG1 4.3Å; L183-I202 HydrophobicContact CD1-CD1 4.34Å; L183-I202 HydrophobicContact CD1-CG1 4.2Å; L183-I202 HydrophobicContact CG-CG1 4.23Å; I202-V204 HydrophobicContact CG2-CB 4.35Å; I202-L213 HydrophobicContact CD1-CB 3.93Å; I202-L213 HydrophobicContact CG2-CD1 4.38Å; I202-F217 HydrophobicContact CD1-CB 4.47Å; I202-F217 HydrophobicContact CD1-CD2 3.98Å; I202-F217 HydrophobicContact CD1-CG 4.49Å; I202-I224 HydrophobicContact CB-CG2 4.32Å; I202-I224 HydrophobicContact CD1-CG2 3.6Å; I202-I224 HydrophobicContact CG1-CG2 3.75Å; I202-N225 PolarHBondContact N-O 3.16Å; I202-V226 HydrophobicContact CB-CG2 4.28Å; I202-V226 WeakPolarHBondContact O-CA 3.37Å; I202-V227 PolarHBondContact O-N 3.44Å
203G98.1Very high97.1Very high0 Ų055.4 Ų55.40%027%0.271CS..EExtended strand (participates in β ladder)trans-86.8128.5166.900000109.4A181 A182 V227 L230A181-G203 CarbonylContact C-O 3.6Å; A181-G203 VanDerWaalsContact CA-O 3.26Å; A181-G203 WeakPolarHBondContact CA-O 3.38Å; A181-G203 VanDerWaalsContact CB-O 3.31Å; A181-G203 WeakPolarHBondContact CB-O 3.39Å; A182-G203 PolarHBondContact N-O 2.77Å; A182-G203 PolarHBondContact O-N 3.2Å; G203-V227 WeakPolarHBondContact CA-O 3.49Å; G203-L230 WeakPolarHBondContact O-CD1 3.29Å
204V98Very high97.3Very high6 Ų658.3 Ų58.34%0.03628%0.282CS..  trans-154.8144.1-17966.70000110.6A181 I202 D206 D209 V226 V227 N228A181-V204 HydrophobicContact CB-CB 4Å; A181-V204 HydrophobicContact CB-CG2 3.91Å; I202-V204 HydrophobicContact CG2-CB 4.35Å; V204-D206 WeakPolarHBondContact CG2-O 3.48Å; V204-D209 HydrophobicContact CG2-CB 3.8Å; V204-V226 HydrophobicContact CG1-CG1 3.61Å; V204-V227 PolarHBondContact N-O 3.2Å; V204-N228 VanDerWaalsContact O-CA 3.29Å; V204-N228 WeakPolarHBondContact O-CA 3.19Å; V204-N228 PolarHBondContact O-OD1 2.95Å
205E95.7Very high97.4Very high138 Ų13856.8 Ų56.865%0.64527%0.273SS*.SBendtrans-82.1-39177.6-62.9-178.1155.500112.3N228 L230E205-N228 PolarHBondContact O-ND2 3.15Å; E205-L230 HydrophobicContact CG-CD2 4.25Å
206D96.2Very high97.5Very high53 Ų5352.3 Ų52.328%0.28325%0.254SS..  trans-95.6122.2-178.6-171.6-60.3000111.7R179 V204 K208 D209 G210R179-D206 IonicContact NH1-OD1 3.16Å; R179-D206 IonicContact NH1-OD2 2.91Å; R179-D206 PolarHBondContact NH1-OD2 3.32Å; V204-D206 WeakPolarHBondContact CG2-O 3.48Å; D206-K208 VanDerWaalsContact C-N 3.3Å; D206-K208 PolarHBondContact O-N 2.81Å; D206-K208 WeakPolarHBondContact OD1-CA 3.39Å; D206-K208 WeakPolarHBondContact OD1-CB 3.22Å; D206-K208 PolarHBondContact OD1-N 2.99Å; D206-D209 HydrophobicContact CB-CB 4.18Å; D206-D209 WeakPolarHBondContact O-CB 3.37Å; D206-D209 PolarHBondContact O-N 3.29Å; D206-D209 PolarHBondContact OD1-N 3.15Å; D206-G210 PolarHBondContact O-N 3.49Å
207E95.6Very high97.6Very high157 Ų15747.3 Ų47.373%0.73423%0.231SC*.Hα-helixtrans-63.7-31.8-178.1-65.4-175.7170.200113.7G210 A211E207-G210 PolarHBondContact O-N 3.46Å; E207-A211 PolarHBondContact O-N 3.17Å
208K96.8Very high97.7Very high172 Ų17244.5 Ų44.575%0.74822%0.219SC*.Hα-helixtrans-69-39.6178.3-59.2176.3-179.6172.10110.4D206 G210 A211 I212D206-K208 VanDerWaalsContact C-N 3.3Å; D206-K208 PolarHBondContact O-N 2.81Å; D206-K208 WeakPolarHBondContact OD1-CA 3.39Å; D206-K208 WeakPolarHBondContact OD1-CB 3.22Å; D206-K208 PolarHBondContact OD1-N 2.99Å; K208-G210 VanDerWaalsContact C-N 3.32Å; K208-A211 PolarHBondContact O-N 3.43Å; K208-I212 PolarHBondContact O-N 2.91Å
209D97.6Very high97.7Very high13 Ų1345.3 Ų45.37%0.0722%0.224CC..Hα-helixtrans-63.8-42.2172.4-70.20.3000110.3V130 R179 V204 D206 A211 I212 L213V130-D209 HydrophobicContact CG1-CB 4.2Å; V130-D209 WeakPolarHBondContact CG2-OD1 3.45Å; V130-D209 WeakPolarHBondContact CG2-OD2 3.46Å; R179-D209 VanDerWaalsContact CZ-CG 3.42Å; R179-D209 IonicContact CZ-OD1 3.49Å; R179-D209 VanDerWaalsContact CZ-OD1 3.23Å; R179-D209 IonicContact CZ-OD2 2.59Å; R179-D209 IonicContact NE-OD2 3.53Å; R179-D209 IonicContact NH1-OD1 3.99Å; R179-D209 PolarHBondContact NH1-OD1 2.82Å; R179-D209 IonicContact NH1-OD2 2.97Å; R179-D209 PolarHBondContact NH1-OD2 3.08Å; R179-D209 VanDerWaalsContact NH2-CG 3.29Å; R179-D209 IonicContact NH2-OD1 2.96Å; R179-D209 PolarHBondContact NH2-OD1 3.12Å; R179-D209 IonicContact NH2-OD2 2.9Å; R179-D209 PolarHBondContact NH2-OD2 3.13Å; V204-D209 HydrophobicContact CG2-CB 3.8Å; D206-D209 HydrophobicContact CB-CB 4.18Å; D206-D209 WeakPolarHBondContact O-CB 3.37Å; D206-D209 PolarHBondContact O-N 3.29Å; D206-D209 PolarHBondContact OD1-N 3.15Å; D209-A211 PolarHBondContact O-N 3.18Å; D209-I212 WeakPolarHBondContact O-CG2 3.38Å; D209-I212 PolarHBondContact O-N 3.27Å; D209-L213 HydrophobicContact CB-CD1 4.48Å; D209-L213 VanDerWaalsContact O-CB 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.43Å; D209-L213 WeakPolarHBondContact O-CD1 3.49Å; D209-L213 WeakPolarHBondContact O-CG 3.42Å; D209-L213 PolarHBondContact O-N 2.94Å
210G98.3Very high97.7Very high1 Ų148.9 Ų48.91%0.0124%0.238CC..Hα-helixtrans-56.1-46.1174.900000113.8D206 E207 K208 L213 K214D206-G210 PolarHBondContact O-N 3.49Å; E207-G210 PolarHBondContact O-N 3.46Å; K208-G210 VanDerWaalsContact C-N 3.32Å; G210-L213 PolarHBondContact O-N 2.9Å; G210-K214 WeakPolarHBondContact O-CB 3.43Å; G210-K214 PolarHBondContact O-N 2.9Å
211A98.1Very high97.7Very high66 Ų6650.7 Ų50.755%0.54525%0.248SC..Hα-helixtrans-63.4-45.7179.300000112.4E207 K208 D209 K215E207-A211 PolarHBondContact O-N 3.17Å; K208-A211 PolarHBondContact O-N 3.43Å; D209-A211 PolarHBondContact O-N 3.18Å; A211-K215 PolarHBondContact O-N 3.49Å; A211-K215 VanDerWaalsContact O-N 3.08Å
212I98Very high97.6Very high19 Ų1950.9 Ų50.910%0.09725%0.248CC..Hα-helixtrans-69.4-38.9179.8-168.266.1000111.6D31 F32 I104 K208 D209 K215 L216D31-I212 HydrophobicContact CB-CD1 4.11Å; F32-I212 HydrophobicContact CE1-CD1 3.7Å; F32-I212 HydrophobicContact CE1-CG1 3.76Å; F32-I212 HydrophobicContact CE2-CD1 4.18Å; F32-I212 HydrophobicContact CZ-CD1 3.36Å; F32-I212 HydrophobicContact CZ-CG1 3.75Å; I104-I212 HydrophobicContact CD1-CG1 4.38Å; K208-I212 PolarHBondContact O-N 2.91Å; D209-I212 WeakPolarHBondContact O-CG2 3.38Å; D209-I212 PolarHBondContact O-N 3.27Å; I212-K215 PolarHBondContact O-N 3.21Å; I212-L216 WeakPolarHBondContact O-CB 3.45Å; I212-L216 PolarHBondContact O-N 2.94Å
213L98.6Very high97.6Very high0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-67.4-41.4177.2-68.1169.8000111.2I104 V130 I132 A181 I202 D209 G210 K215 L216 F217I104-L213 HydrophobicContact CG2-CD2 4.07Å; V130-L213 HydrophobicContact CG1-CD1 4.25Å; I132-L213 HydrophobicContact CB-CD2 4.34Å; I132-L213 HydrophobicContact CD1-CD1 4.25Å; I132-L213 HydrophobicContact CD1-CD2 4.24Å; I132-L213 HydrophobicContact CG2-CD2 4.31Å; A181-L213 HydrophobicContact CB-CD1 3.49Å; A181-L213 VanDerWaalsContact CB-CD1 3.49Å; I202-L213 HydrophobicContact CD1-CB 3.93Å; I202-L213 HydrophobicContact CG2-CD1 4.38Å; D209-L213 HydrophobicContact CB-CD1 4.48Å; D209-L213 VanDerWaalsContact O-CB 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.43Å; D209-L213 WeakPolarHBondContact O-CD1 3.49Å; D209-L213 WeakPolarHBondContact O-CG 3.42Å; D209-L213 PolarHBondContact O-N 2.94Å; G210-L213 PolarHBondContact O-N 2.9Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.02Å; L213-L216 WeakPolarHBondContact O-CB 3.46Å; L213-L216 PolarHBondContact O-N 3.44Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L213-F217 HydrophobicContact CD2-CE2 4.19Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.33Å; L213-F217 PolarHBondContact O-N 3.49Å
214K98.6Very high97.7Very high68 Ų6854.1 Ų54.130%0.29627%0.265SS..Hα-helixtrans-57.8-45.9172.4178.9164.4-179.6144.90111.6G210 L216 F217 Q218 I224 V226G210-K214 WeakPolarHBondContact O-CB 3.43Å; G210-K214 PolarHBondContact O-N 2.9Å; K214-L216 PolarHBondContact O-N 3.49Å; K214-F217 PolarHBondContact O-N 3.11Å; K214-Q218 HydrophobicContact CG-CB 4.44Å; K214-Q218 WeakPolarHBondContact O-CB 3.36Å; K214-Q218 PolarHBondContact O-N 3.43Å; K214-I224 HydrophobicContact CB-CG2 4.22Å; K214-I224 WeakPolarHBondContact CE-O 3.2Å; K214-I224 HydrophobicContact CG-CB 4.23Å; K214-I224 HydrophobicContact CG-CG2 4.13Å; K214-I224 PolarHBondContact NZ-O 3.44Å; K214-V226 HydrophobicContact CB-CG2 3.72Å; K214-V226 HydrophobicContact CD-CG2 3.96Å; K214-V226 HydrophobicContact CG-CG2 4.32Å
215K98Very high97.7Very high64 Ų6457 Ų5728%0.27828%0.281SS..Hα-helixtrans-61.1-36.4176.9-168.9170.4-179.21790111.9Y28 E30 D31 F32 A211 I212 L213Y28-K215 HydrophobicContact CD1-CD 4.41Å; Y28-K215 HydrophobicContact CD2-CD 4.43Å; Y28-K215 HydrophobicContact CD2-CG 3.8Å; Y28-K215 HydrophobicContact CE2-CG 3.81Å; Y28-K215 WeakPolarHBondContact CE2-O 3.19Å; Y28-K215 HydrophobicContact CG-CD 4.28Å; Y28-K215 HydrophobicContact CG-CG 4.16Å; E30-K215 IonicContact OE1-NZ 3.72Å; E30-K215 PolarHBondContact OE1-NZ 3.3Å; D31-K215 VanDerWaalsContact OD2-CE 3.31Å; D31-K215 WeakPolarHBondContact OD2-CE 3.36Å; D31-K215 IonicContact OD2-NZ 3.28Å; D31-K215 PolarHBondContact OD2-NZ 2.83Å; F32-K215 HydrophobicContact CE2-CG 4.38Å; A211-K215 PolarHBondContact O-N 3.49Å; A211-K215 VanDerWaalsContact O-N 3.08Å; I212-K215 PolarHBondContact O-N 3.21Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 3.02Å
216L98.4Very high97.8Very high0 Ų052.5 Ų52.50%026%0.262CS..Hα-helixtrans-71.9-40.4179.9-178.458.9000113.5V5 L21 N24 V25 F32 I104 I212 L213 K214V5-L216 HydrophobicContact CG1-CD2 4.23Å; V5-L216 HydrophobicContact CG2-CD1 3.92Å; V5-L216 HydrophobicContact CG2-CD2 3.94Å; L21-L216 HydrophobicContact CD2-CD1 3.63Å; L21-L216 HydrophobicContact CD2-CD2 3.92Å; L21-L216 HydrophobicContact CD2-CG 3.41Å; L21-L216 VanDerWaalsContact CD2-CG 3.41Å; N24-L216 WeakPolarHBondContact CB-O 3.39Å; N24-L216 PolarHBondContact ND2-O 2.77Å; V25-L216 HydrophobicContact CG1-CD1 3.73Å; F32-L216 HydrophobicContact CD1-CD1 4.18Å; F32-L216 HydrophobicContact CE1-CB 4.06Å; F32-L216 HydrophobicContact CE1-CD1 3.98Å; F32-L216 HydrophobicContact CE1-CD2 4.32Å; F32-L216 HydrophobicContact CE1-CG 4.33Å; F32-L216 HydrophobicContact CE2-CB 4.43Å; F32-L216 HydrophobicContact CE2-CD1 4.39Å; F32-L216 HydrophobicContact CG-CD1 4.47Å; F32-L216 HydrophobicContact CZ-CB 3.71Å; F32-L216 HydrophobicContact CZ-CD1 4.09Å; F32-L216 HydrophobicContact CZ-CG 4.38Å; I104-L216 HydrophobicContact CD1-CD2 3.85Å; I104-L216 HydrophobicContact CG2-CD2 3.97Å; I212-L216 WeakPolarHBondContact O-CB 3.45Å; I212-L216 PolarHBondContact O-N 2.94Å; L213-L216 WeakPolarHBondContact O-CB 3.46Å; L213-L216 PolarHBondContact O-N 3.44Å; L213-L216 VanDerWaalsContact O-N 3.12Å; K214-L216 PolarHBondContact O-N 3.49Å
217F98.3Very high97.9Very high0 Ų050.8 Ų50.80%025%0.254CS..Hα-helixtrans-96.8-26.1-174.9-74.6-82.3000114.4L17 I20 L21 V106 I132 L183 I202 L213 K214 T219 F222 I224L17-F217 HydrophobicContact CD1-CE1 4.4Å; L17-F217 HydrophobicContact CD2-CD1 4.12Å; L17-F217 HydrophobicContact CD2-CE1 3.95Å; I20-F217 WeakPolarHBondContact CG2-O 3.28Å; L21-F217 HydrophobicContact CD1-CE1 4.39Å; L21-F217 HydrophobicContact CD2-CD1 3.95Å; L21-F217 HydrophobicContact CD2-CE1 3.75Å; L21-F217 HydrophobicContact CD2-CE2 4.43Å; L21-F217 HydrophobicContact CD2-CG 4.4Å; L21-F217 HydrophobicContact CD2-CZ 4Å; L21-F217 HydrophobicContact CG-CE1 4.34Å; V106-F217 HydrophobicContact CG1-CZ 4.1Å; V106-F217 HydrophobicContact CG2-CZ 3.94Å; I132-F217 HydrophobicContact CD1-CD2 4.23Å; I132-F217 HydrophobicContact CD1-CE2 3.61Å; I132-F217 HydrophobicContact CD1-CZ 4.11Å; I132-F217 HydrophobicContact CG2-CE2 3.98Å; I132-F217 HydrophobicContact CG2-CZ 3.91Å; L183-F217 HydrophobicContact CD1-CB 4.28Å; L183-F217 HydrophobicContact CD1-CD1 3.6Å; L183-F217 HydrophobicContact CD1-CD2 4.21Å; L183-F217 HydrophobicContact CD1-CE1 3.9Å; L183-F217 HydrophobicContact CD1-CG 3.77Å; L183-F217 HydrophobicContact CD1-CZ 4.35Å; I202-F217 HydrophobicContact CD1-CB 4.47Å; I202-F217 HydrophobicContact CD1-CD2 3.98Å; I202-F217 HydrophobicContact CD1-CG 4.49Å; L213-F217 HydrophobicContact CD2-CE2 4.19Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.33Å; L213-F217 PolarHBondContact O-N 3.49Å; K214-F217 PolarHBondContact O-N 3.11Å; F217-T219 PolarHBondContact O-N 3.29Å; F217-F222 WeakPolarHBondContact O-CD1 3.1Å; F217-I224 HydrophobicContact CB-CD1 4Å; F217-I224 HydrophobicContact CB-CG1 3.87Å
218Q98.2Very high98Very high67 Ų6747 Ų4731%0.31324%0.238SC..  trans-71.3134.6-172.9-174.5162.4-93.400112.4N24 K214 F222 I224N24-Q218 PolarHBondContact ND2-O 2.94Å; N24-Q218 PolarHBondContact OD1-O 3.01Å; K214-Q218 HydrophobicContact CG-CB 4.44Å; K214-Q218 WeakPolarHBondContact O-CB 3.36Å; K214-Q218 PolarHBondContact O-N 3.43Å; Q218-F222 WeakPolarHBondContact CA-O 3.39Å; Q218-I224 HydrophobicContact CB-CB 4.2Å; Q218-I224 HydrophobicContact CB-CG1 4.01Å; Q218-I224 PolarHBondContact OE1-O 3.38Å
219T97.6Very high98Very high30 Ų3039.3 Ų39.318%0.18421%0.206CC..  trans-129.3-178.3167.378.50000110I20 F217 N221 F222I20-T219 HydrophobicContact CB-CG2 4.3Å; I20-T219 HydrophobicContact CG1-CG2 4Å; I20-T219 HydrophobicContact CG2-CG2 3.69Å; F217-T219 PolarHBondContact O-N 3.29Å; T219-N221 PolarHBondContact O-N 3.25Å; T219-N221 PolarHBondContact OG1-N 3.38Å; T219-F222 PolarHBondContact N-O 3.29Å; T219-F222 WeakPolarHBondContact OG1-CB 3.32Å; T219-F222 PolarHBondContact OG1-N 3.45Å
220K97.1Very high97.9Very high170 Ų17039.1 Ų39.174%0.73921%0.205SC*.SBendtrans-63.1-27.717366.2172.6-171.6177.90113.5
221N97.1Very high97.7Very high41 Ų4140.4 Ų40.422%0.21921%0.213CC..SBendtrans-114.6-3.9-174.6-67.2-19.4000112.2K195 F197 C198 T219K195-N221 WeakPolarHBondContact O-CB 3.49Å; K195-N221 VanDerWaalsContact O-CG 3.23Å; K195-N221 PolarHBondContact O-ND2 3.4Å; F197-N221 CarbonylContact C-O 3.48Å; F197-N221 WeakPolarHBondContact CA-O 3.47Å; C198-N221 PolarHBondContact N-O 2.85Å; T219-N221 PolarHBondContact O-N 3.25Å; T219-N221 PolarHBondContact OG1-N 3.38Å
222F97.9Very high97.6Very high3 Ų337.3 Ų37.31%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-127.686.9174.2-167.5-126.5000108.3W13 I20 L183 N187 V192 C198 A200 F217 Q218 T219 I224W13-F222 HydrophobicContact CH2-CZ 4.15Å; I20-F222 HydrophobicContact CD1-CB 4.05Å; I20-F222 HydrophobicContact CD1-CD1 3.5Å; I20-F222 HydrophobicContact CD1-CE1 4.07Å; I20-F222 HydrophobicContact CD1-CG 3.86Å; L183-F222 HydrophobicContact CD1-CE1 4.33Å; L183-F222 HydrophobicContact CD2-CZ 4.25Å; N187-F222 HydrophobicContact CB-CE2 4.18Å; V192-F222 HydrophobicContact CG2-CD2 4.29Å; V192-F222 HydrophobicContact CG2-CE2 4.14Å; C198-F222 WeakPolarHBondContact O-CA 3.26Å; C198-F222 WeakPolarHBondContact SG-CD2 3.39Å; A200-F222 HydrophobicContact CB-CE1 4.39Å; A200-F222 HydrophobicContact CB-CE2 3.79Å; A200-F222 HydrophobicContact CB-CZ 3.56Å; F217-F222 WeakPolarHBondContact O-CD1 3.1Å; Q218-F222 WeakPolarHBondContact CA-O 3.39Å; T219-F222 PolarHBondContact N-O 3.29Å; T219-F222 WeakPolarHBondContact OG1-CB 3.32Å; T219-F222 PolarHBondContact OG1-N 3.45Å; F222-I224 HydrophobicContact CD1-CD1 3.93Å; F222-I224 HydrophobicContact CE1-CD1 3.67Å; F222-I224 HydrophobicContact CZ-CD1 4.19Å
223L98.3Very high97.5Very high65 Ų6536.4 Ų36.434%0.3418%0.182SC..EExtended strand (participates in β ladder)trans-79.9137.7-177.2-57.6-174.1000110.1F197 C198 E199 A200F197-L223 HydrophobicContact CE2-CD1 3.69Å; F197-L223 HydrophobicContact CE2-CG 4Å; F197-L223 HydrophobicContact CZ-CD1 3.84Å; F197-L223 HydrophobicContact CZ-CG 4.41Å; C198-L223 PolarHBondContact O-N 3.04Å; E199-L223 CarbonylContact C-O 3.53Å; E199-L223 WeakPolarHBondContact CA-O 3.35Å; E199-L223 HydrophobicContact CG-CB 4.23Å; A200-L223 PolarHBondContact N-O 2.87Å
224I98.5Very high97.3Very high4 Ų436.4 Ų36.42%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-116.9119.3-177.2-62.4-62.4000109.4L183 A200 I202 K214 F217 Q218 F222 V226L183-I224 HydrophobicContact CD1-CD1 4.31Å; A200-I224 HydrophobicContact CB-CD1 3.9Å; A200-I224 WeakPolarHBondContact O-CA 3.43Å; I202-I224 HydrophobicContact CB-CG2 4.32Å; I202-I224 HydrophobicContact CD1-CG2 3.6Å; I202-I224 HydrophobicContact CG1-CG2 3.75Å; K214-I224 HydrophobicContact CB-CG2 4.22Å; K214-I224 WeakPolarHBondContact CE-O 3.2Å; K214-I224 HydrophobicContact CG-CB 4.23Å; K214-I224 HydrophobicContact CG-CG2 4.13Å; K214-I224 PolarHBondContact NZ-O 3.44Å; F217-I224 HydrophobicContact CB-CD1 4Å; F217-I224 HydrophobicContact CB-CG1 3.87Å; Q218-I224 HydrophobicContact CB-CB 4.2Å; Q218-I224 HydrophobicContact CB-CG1 4.01Å; Q218-I224 PolarHBondContact OE1-O 3.38Å; F222-I224 HydrophobicContact CD1-CD1 3.93Å; F222-I224 HydrophobicContact CE1-CD1 3.67Å; F222-I224 HydrophobicContact CZ-CD1 4.19Å; I224-V226 HydrophobicContact CG2-CG2 4.19Å
225N98.5Very high97Very high67 Ų6733.1 Ų33.136%0.35817%0.168SC..EExtended strand (participates in β ladder)trans-95.6142.3161.9-160.324.9000110.7A200 T201 I202 E289A200-N225 PolarHBondContact O-N 3.44Å; T201-N225 CarbonylContact C-O 3.52Å; T201-N225 WeakPolarHBondContact CA-O 3.33Å; I202-N225 PolarHBondContact N-O 3.16Å; N225-E289 PolarHBondContact ND2-OE1 3.2Å; N225-E289 PolarHBondContact ND2-OE2 3.25Å
226V98.6Very high96.9Very high42 Ų4230.1 Ų30.126%0.25516%0.155SC..EExtended strand (participates in β ladder)trans-114.8129.8-179.9179.20000108.3I202 V204 K214 I224I202-V226 HydrophobicContact CB-CG2 4.28Å; I202-V226 WeakPolarHBondContact O-CA 3.37Å; V204-V226 HydrophobicContact CG1-CG1 3.61Å; K214-V226 HydrophobicContact CB-CG2 3.72Å; K214-V226 HydrophobicContact CD-CG2 3.96Å; K214-V226 HydrophobicContact CG-CG2 4.32Å; I224-V226 HydrophobicContact CG2-CG2 4.19Å
227V98.3Very high96.5Very high18 Ų1830.1 Ų30.111%0.10916%0.155CC..EExtended strand (participates in β ladder)trans-131.6142.2-179.9-58.20000110.7T201 I202 G203 V204 D229 V233 T286 E289T201-V227 HydrophobicContact CG2-CG1 4.1Å; T201-V227 HydrophobicContact CG2-CG2 3.63Å; I202-V227 PolarHBondContact O-N 3.44Å; G203-V227 WeakPolarHBondContact CA-O 3.49Å; V204-V227 PolarHBondContact N-O 3.2Å; V227-D229 VanDerWaalsContact C-N 3.3Å; V227-D229 PolarHBondContact O-N 3.12Å; V227-V233 HydrophobicContact CG2-CG2 3.35Å; V227-T286 HydrophobicContact CG2-CG2 4.12Å; V227-E289 HydrophobicContact CG1-CG 4.13Å
228N97.2Very high96.1Very high77 Ų7730.1 Ų30.141%0.41216%0.155SC..SBendtrans-91.268.4171.3-170.8-2.1000110.3V204 E205 K283V204-N228 VanDerWaalsContact O-CA 3.29Å; V204-N228 WeakPolarHBondContact O-CA 3.19Å; V204-N228 PolarHBondContact O-OD1 2.95Å; E205-N228 PolarHBondContact O-ND2 3.15Å; N228-K283 PolarHBondContact O-NZ 3.06Å
229D97.4Very high95.9Very high11 Ų1126.9 Ų26.96%0.05914%0.14CC..  trans-158.257.3179.2-168.70.4000110V227 T232 V233 K283 T286V227-D229 VanDerWaalsContact C-N 3.3Å; V227-D229 PolarHBondContact O-N 3.12Å; D229-T232 VanDerWaalsContact CG-CB 3.4Å; D229-T232 PolarHBondContact O-N 3.41Å; D229-T232 WeakPolarHBondContact OD1-CB 3.38Å; D229-T232 PolarHBondContact OD1-OG1 3.43Å; D229-T232 WeakPolarHBondContact OD2-CB 3.38Å; D229-T232 PolarHBondContact OD2-OG1 2.93Å; D229-T232 VanDerWaalsContact OD2-OG1 3.12Å; D229-V233 WeakPolarHBondContact O-CG2 3.47Å; D229-V233 PolarHBondContact O-N 3.13Å; D229-V233 VanDerWaalsContact O-N 3.16Å; D229-K283 HydrophobicContact CB-CD 4.41Å; D229-K283 PolarHBondContact OD2-N 2.94Å; D229-T286 HydrophobicContact CB-CG2 4.12Å; D229-T286 WeakPolarHBondContact CB-OG1 3.27Å; D229-T286 WeakPolarHBondContact OD2-CB 3.22Å; D229-T286 PolarHBondContact OD2-OG1 2.93Å
230L95.5Very high95.8Very high9 Ų925.8 Ų25.85%0.04713%0.133CC..Hα-helixtrans-55.8-47.2-171.9169.862.5000114V180 A182 G203 E205 T232 V233 E234V180-L230 WeakPolarHBondContact O-CD2 3.44Å; A182-L230 HydrophobicContact CB-CD1 3.43Å; A182-L230 VanDerWaalsContact CB-CD1 3.43Å; G203-L230 WeakPolarHBondContact O-CD1 3.29Å; E205-L230 HydrophobicContact CG-CD2 4.25Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 2.92Å; L230-V233 PolarHBondContact O-N 2.85Å; L230-E234 HydrophobicContact CD1-CG 4.37Å; L230-E234 PolarHBondContact O-N 3.22Å
231P93.2Very high95.6Very high28 Ų2817.9 Ų17.918%0.18210%0.098CC..Hα-helixtrans-59.7-41.1179.5-24.435.1000112.7P167 E234 L235 Y279P167-P231 HydrophobicContact CG-CB 3.99Å; P231-E234 PolarHBondContact O-N 3.34Å; P231-L235 WeakPolarHBondContact O-CB 3.43Å; P231-L235 VanDerWaalsContact O-CG 3.24Å; P231-L235 WeakPolarHBondContact O-CG 3.4Å; P231-L235 PolarHBondContact O-N 2.9Å; P231-Y279 HydrophobicContact CB-CD1 3.53Å; P231-Y279 HydrophobicContact CB-CD2 3.98Å; P231-Y279 HydrophobicContact CB-CE1 3.63Å; P231-Y279 HydrophobicContact CB-CE2 4.14Å; P231-Y279 HydrophobicContact CB-CG 3.72Å; P231-Y279 HydrophobicContact CG-CD1 3.66Å; P231-Y279 HydrophobicContact CG-CE1 3.79Å; P231-Y279 HydrophobicContact CG-CG 4.29Å
232T96.2Very high95.6Very high0 Ų016 Ų160%09%0.088CC..Hα-helixtrans-66.4-42.4-179.2-550000111.4D229 L230 E234 L235 C236 I275 S282 T286 F287D229-T232 VanDerWaalsContact CG-CB 3.4Å; D229-T232 PolarHBondContact O-N 3.41Å; D229-T232 WeakPolarHBondContact OD1-CB 3.38Å; D229-T232 PolarHBondContact OD1-OG1 3.43Å; D229-T232 WeakPolarHBondContact OD2-CB 3.38Å; D229-T232 PolarHBondContact OD2-OG1 2.93Å; D229-T232 VanDerWaalsContact OD2-OG1 3.12Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 2.92Å; T232-E234 VanDerWaalsContact C-N 3.32Å; T232-E234 PolarHBondContact O-N 3.04Å; T232-L235 PolarHBondContact O-N 2.97Å; T232-C236 WeakPolarHBondContact O-CB 3.18Å; T232-C236 PolarHBondContact O-N 3Å; T232-C236 PolarHBondContact O-SG 3.33Å; T232-I275 HydrophobicContact CG2-CG2 4.12Å; T232-S282 WeakPolarHBondContact OG1-CB 3.48Å; T232-T286 HydrophobicContact CG2-CG2 3.65Å; T232-F287 HydrophobicContact CG2-CD1 4.33Å; T232-F287 HydrophobicContact CG2-CD2 4.05Å; T232-F287 HydrophobicContact CG2-CE1 3.91Å; T232-F287 HydrophobicContact CG2-CE2 3.61Å; T232-F287 HydrophobicContact CG2-CG 4.4Å; T232-F287 HydrophobicContact CG2-CZ 3.54Å
233V96.5Very high95.6Very high0 Ų015.8 Ų15.80%09%0.087CC..Hα-helixtrans-56.3-46175.9171.40000111.4M184 T201 V227 D229 L230 T286 C291M184-V233 HydrophobicContact CB-CG1 3.79Å; M184-V233 HydrophobicContact CG-CG1 3.79Å; M184-V233 WeakPolarHBondContact CG-O 3.46Å; T201-V233 HydrophobicContact CG2-CG2 3.85Å; V227-V233 HydrophobicContact CG2-CG2 3.35Å; D229-V233 WeakPolarHBondContact O-CG2 3.47Å; D229-V233 PolarHBondContact O-N 3.13Å; D229-V233 VanDerWaalsContact O-N 3.16Å; L230-V233 PolarHBondContact O-N 2.85Å; V233-T286 HydrophobicContact CG2-CG2 3.8Å; V233-C291 HydrophobicContact CG1-CB 4.02Å
234E93.3Very high95.6Very high0 Ų012.7 Ų12.70%07%0.071CC..Hα-helixtrans-72-46-179.6-74.5-163.9-155.700113.7V137 P167 L168 S169 A182 M184 L230 P231 T232 C236 G237 A238V137-E234 HydrophobicContact CG2-CB 4.39Å; P167-E234 VanDerWaalsContact C-OE2 3.29Å; P167-E234 VanDerWaalsContact CA-OE2 3.26Å; P167-E234 WeakPolarHBondContact CA-OE2 3.48Å; P167-E234 HydrophobicContact CB-CB 4.44Å; P167-E234 WeakPolarHBondContact CB-OE2 3.25Å; L168-E234 PolarHBondContact N-OE2 3.25Å; S169-E234 WeakPolarHBondContact CA-OE1 3.46Å; S169-E234 WeakPolarHBondContact CB-OE1 3.4Å; S169-E234 PolarHBondContact N-OE1 2.85Å; S169-E234 PolarHBondContact N-OE2 3.16Å; S169-E234 PolarHBondContact OG-OE1 2.93Å; A182-E234 HydrophobicContact CB-CG 3.39Å; A182-E234 WeakPolarHBondContact CB-OE1 3.21Å; M184-E234 HydrophobicContact CE-CG 4.18Å; L230-E234 HydrophobicContact CD1-CG 4.37Å; L230-E234 PolarHBondContact O-N 3.22Å; P231-E234 PolarHBondContact O-N 3.34Å; T232-E234 VanDerWaalsContact C-N 3.32Å; T232-E234 PolarHBondContact O-N 3.04Å; E234-C236 VanDerWaalsContact C-N 3.33Å; E234-C236 PolarHBondContact O-N 3.45Å; E234-G237 WeakPolarHBondContact O-CA 3.43Å; E234-G237 PolarHBondContact O-N 3.36Å; E234-A238 PolarHBondContact O-N 2.88Å
235L93Very high95.6Very high0 Ų012.5 Ų12.50%07%0.07CC..Hα-helixtrans-69.4-32.7-174-68.4175.2000111.8I165 P231 T232 G237 A238 L239 I275 Y279I165-L235 HydrophobicContact CD1-CD2 3.94Å; I165-L235 HydrophobicContact CG1-CD2 3.89Å; I165-L235 HydrophobicContact CG2-CD2 3.94Å; P231-L235 WeakPolarHBondContact O-CB 3.43Å; P231-L235 VanDerWaalsContact O-CG 3.24Å; P231-L235 WeakPolarHBondContact O-CG 3.4Å; P231-L235 PolarHBondContact O-N 2.9Å; T232-L235 PolarHBondContact O-N 2.97Å; L235-G237 PolarHBondContact O-N 3.49Å; L235-A238 WeakPolarHBondContact O-CB 3.48Å; L235-A238 PolarHBondContact O-N 3.04Å; L235-L239 HydrophobicContact CB-CD1 4.21Å; L235-L239 WeakPolarHBondContact O-CD1 3.18Å; L235-L239 PolarHBondContact O-N 3.17Å; L235-I275 HydrophobicContact CB-CD1 3.55Å; L235-I275 HydrophobicContact CB-CG1 3.75Å; L235-I275 HydrophobicContact CD1-CG1 4.18Å; L235-Y279 HydrophobicContact CD1-CD2 3.68Å; L235-Y279 HydrophobicContact CD1-CE2 3.36Å
236C95.3Very high95.6Very high0 Ų09.3 Ų9.30%05%0.053CC..Hα-helixtrans-54.2-41.9169.3-780000111.7T232 E234 A238 K240 M271 C291T232-C236 WeakPolarHBondContact O-CB 3.18Å; T232-C236 PolarHBondContact O-N 3Å; T232-C236 PolarHBondContact O-SG 3.33Å; E234-C236 VanDerWaalsContact C-N 3.33Å; E234-C236 PolarHBondContact O-N 3.45Å; C236-A238 VanDerWaalsContact C-N 3.25Å; C236-A238 PolarHBondContact O-N 3.42Å; C236-K240 WeakPolarHBondContact O-CB 3.42Å; C236-K240 WeakPolarHBondContact O-CG 3.05Å; C236-K240 PolarHBondContact O-N 3.11Å; C236-K240 VanDerWaalsContact O-N 3.16Å; C236-M271 HydrophobicContact CB-CE 4.22Å; C236-C291 WeakPolarHBondContact CB-O 3.37Å
237G90.9Very high95.6Very high0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-61.9-28.6176.500000114.3E234 L235 K240 N241E234-G237 WeakPolarHBondContact O-CA 3.43Å; E234-G237 PolarHBondContact O-N 3.36Å; L235-G237 PolarHBondContact O-N 3.49Å; G237-K240 WeakPolarHBondContact O-CE 3.15Å; G237-N241 PolarHBondContact O-ND2 2.93Å
238A89.6Confident95.6Very high0 Ų06.5 Ų6.50%04%0.036CC..Hα-helixtrans-81.9-57176.500000111.6V137 I165 E234 L235 C236 K240 N241 T337V137-A238 HydrophobicContact CB-CB 3.63Å; V137-A238 HydrophobicContact CG1-CB 4.05Å; I165-A238 HydrophobicContact CD1-CB 4.1Å; E234-A238 PolarHBondContact O-N 2.88Å; L235-A238 WeakPolarHBondContact O-CB 3.48Å; L235-A238 PolarHBondContact O-N 3.04Å; C236-A238 VanDerWaalsContact C-N 3.25Å; C236-A238 PolarHBondContact O-N 3.42Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 3.46Å; A238-N241 WeakPolarHBondContact O-CB 3.36Å; A238-N241 PolarHBondContact O-N 2.92Å; A238-T337 HydrophobicContact CB-CG2 4.36Å
239L94.1Very high95.7Very high0 Ų02.8 Ų2.80%02%0.016CC..Hα-helixtrans-66.5-32.7-169.6-81.672.8000112.3L235 N241 V242 V243 M271 F274 I275 L341 L357L235-L239 HydrophobicContact CB-CD1 4.21Å; L235-L239 WeakPolarHBondContact O-CD1 3.18Å; L235-L239 PolarHBondContact O-N 3.17Å; L239-N241 PolarHBondContact O-N 2.66Å; L239-V242 WeakPolarHBondContact O-CB 3.07Å; L239-V242 PolarHBondContact O-N 2.89Å; L239-V243 PolarHBondContact O-N 2.88Å; L239-M271 HydrophobicContact CB-CE 4.48Å; L239-M271 HydrophobicContact CB-CG 3.66Å; L239-M271 HydrophobicContact CB-SD 4.41Å; L239-M271 HydrophobicContact CD2-CB 4.25Å; L239-M271 HydrophobicContact CD2-CG 3.98Å; L239-F274 HydrophobicContact CD1-CD1 4.36Å; L239-F274 HydrophobicContact CD2-CB 4.05Å; L239-F274 HydrophobicContact CD2-CD1 3.66Å; L239-F274 HydrophobicContact CD2-CE1 4.49Å; L239-F274 HydrophobicContact CD2-CG 4.1Å; L239-F274 HydrophobicContact CG-CD1 4.5Å; L239-I275 HydrophobicContact CD2-CD1 4.48Å; L239-I275 HydrophobicContact CD2-CG1 4.36Å; L239-L341 HydrophobicContact CD1-CD1 4.5Å; L239-L341 HydrophobicContact CG-CD1 3.97Å; L239-L357 HydrophobicContact CD2-CD1 4.47Å
240K95.3Very high95.7Very high7 Ų72.3 Ų2.33%0.031%0.013CC..Hα-helixtrans-54.2-30.4176.773.9-174.9-176.5109.80113.1C236 G237 A238 V242 V243 A244 M271 D295 L296 T299C236-K240 WeakPolarHBondContact O-CB 3.42Å; C236-K240 WeakPolarHBondContact O-CG 3.05Å; C236-K240 PolarHBondContact O-N 3.11Å; C236-K240 VanDerWaalsContact O-N 3.16Å; G237-K240 WeakPolarHBondContact O-CE 3.15Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 3.46Å; K240-V242 VanDerWaalsContact C-N 3.29Å; K240-V242 PolarHBondContact O-N 3.43Å; K240-V243 PolarHBondContact O-N 2.97Å; K240-A244 WeakPolarHBondContact O-CB 3.47Å; K240-A244 PolarHBondContact O-N 3.28Å; K240-M271 HydrophobicContact CB-CE 4.22Å; K240-M271 HydrophobicContact CB-SD 4.48Å; K240-D295 HydrophobicContact CD-CB 3.85Å; K240-D295 VanDerWaalsContact CD-OD2 3.26Å; K240-D295 WeakPolarHBondContact CD-OD2 3.36Å; K240-D295 WeakPolarHBondContact CE-OD2 3.22Å; K240-D295 IonicContact NZ-OD1 3.46Å; K240-D295 PolarHBondContact NZ-OD1 3.45Å; K240-D295 IonicContact NZ-OD2 3.72Å; K240-D295 PolarHBondContact NZ-OD2 3.36Å; K240-L296 HydrophobicContact CB-CB 4.32Å; K240-L296 HydrophobicContact CB-CD1 3.96Å; K240-T299 PolarHBondContact NZ-OG1 2.94Å
241N94.2Very high95.9Very high4 Ų43.5 Ų3.52%0.0212%0.02CC..Hα-helixtrans-69.6-30.3-178.2-68.8-42.1000111.7G237 A238 L239 C245 N305G237-N241 PolarHBondContact O-ND2 2.93Å; A238-N241 WeakPolarHBondContact O-CB 3.36Å; A238-N241 PolarHBondContact O-N 2.92Å; L239-N241 PolarHBondContact O-N 2.66Å; N241-C245 PolarHBondContact O-N 3.41Å; N241-C245 VanDerWaalsContact O-N 3.14Å; N241-C245 PolarHBondContact O-SG 3.19Å; N241-C245 VanDerWaalsContact O-SG 3.37Å; N241-N305 WeakPolarHBondContact CB-ND2 3.4Å; N241-N305 VanDerWaalsContact CG-ND2 3.25Å; N241-N305 PolarHBondContact OD1-ND2 3.37Å
242V96.5Very high96.1Very high0 Ų02.8 Ų2.80%02%0.017CC..Hα-helixtrans-71.6-45.1174.5-176.80000109.9L239 K240 A244 C245 A246 T337 A338 L341 L357 V360L239-V242 WeakPolarHBondContact O-CB 3.07Å; L239-V242 PolarHBondContact O-N 2.89Å; K240-V242 VanDerWaalsContact C-N 3.29Å; K240-V242 PolarHBondContact O-N 3.43Å; V242-A244 VanDerWaalsContact C-N 3.28Å; V242-A244 PolarHBondContact O-N 2.74Å; V242-C245 VanDerWaalsContact O-CB 3.27Å; V242-C245 WeakPolarHBondContact O-CB 3.26Å; V242-C245 PolarHBondContact O-N 2.95Å; V242-C245 VanDerWaalsContact O-N 3.08Å; V242-A246 PolarHBondContact O-N 3.38Å; V242-A246 VanDerWaalsContact O-N 3.16Å; V242-T337 HydrophobicContact CG2-CG2 3.75Å; V242-A338 HydrophobicContact CG1-CB 3.81Å; V242-A338 HydrophobicContact CG2-CB 4Å; V242-L341 HydrophobicContact CG2-CD1 4Å; V242-L357 HydrophobicContact CB-CD2 3.95Å; V242-L357 HydrophobicContact CG1-CD2 3.65Å; V242-V360 HydrophobicContact CG1-CB 3.75Å; V242-V360 HydrophobicContact CG1-CG1 3.75Å; V242-V360 HydrophobicContact CG1-CG2 4.05Å
243V98.2Very high96.2Very high0 Ų05.3 Ų5.30%03%0.031CC..Hα-helixtrans-63.1-37.1175.1-1730000111.3L239 K240 C245 A246 A247 M271 L296 L356L239-V243 PolarHBondContact O-N 2.88Å; K240-V243 PolarHBondContact O-N 2.97Å; V243-C245 VanDerWaalsContact C-N 3.29Å; V243-C245 PolarHBondContact O-N 3.37Å; V243-A246 WeakPolarHBondContact O-CB 3.22Å; V243-A246 PolarHBondContact O-N 2.82Å; V243-A247 PolarHBondContact O-N 2.99Å; V243-M271 HydrophobicContact CG2-CG 4.3Å; V243-M271 HydrophobicContact CG2-SD 3.94Å; V243-L296 HydrophobicContact CB-CD1 3.64Å; V243-L296 HydrophobicContact CG1-CD1 3.71Å; V243-L296 HydrophobicContact CG2-CD1 4.24Å; V243-L356 HydrophobicContact CG2-CD2 4.2Å
244A97.7Very high96.3Very high0 Ų08.5 Ų8.50%06%0.063CC..Hα-helixtrans-64.9-31.8174.300000113.2K240 V242 A247 G248 T299 N305 R306K240-A244 WeakPolarHBondContact O-CB 3.47Å; K240-A244 PolarHBondContact O-N 3.28Å; V242-A244 VanDerWaalsContact C-N 3.28Å; V242-A244 PolarHBondContact O-N 2.74Å; A244-A247 PolarHBondContact O-N 3.31Å; A244-G248 PolarHBondContact O-N 2.98Å; A244-T299 HydrophobicContact CB-CG2 3.47Å; A244-T299 VanDerWaalsContact CB-CG2 3.47Å; A244-N305 HydrophobicContact CB-CB 3.96Å; A244-R306 WeakPolarHBondContact O-CA 3.3Å
245C98.3Very high96.5Very high0 Ų013.1 Ų13.10%08%0.081CC..Hα-helixtrans-63.5-47170.3-75.40000111.3N241 V242 V243 A247 G248 M249 T309 V360N241-C245 PolarHBondContact O-N 3.41Å; N241-C245 VanDerWaalsContact O-N 3.14Å; N241-C245 PolarHBondContact O-SG 3.19Å; N241-C245 VanDerWaalsContact O-SG 3.37Å; V242-C245 VanDerWaalsContact O-CB 3.27Å; V242-C245 WeakPolarHBondContact O-CB 3.26Å; V242-C245 PolarHBondContact O-N 2.95Å; V242-C245 VanDerWaalsContact O-N 3.08Å; V243-C245 VanDerWaalsContact C-N 3.29Å; V243-C245 PolarHBondContact O-N 3.37Å; C245-A247 VanDerWaalsContact C-N 3.32Å; C245-A247 PolarHBondContact O-N 3.31Å; C245-G248 PolarHBondContact O-N 3.13Å; C245-M249 WeakPolarHBondContact O-CG 3.45Å; C245-M249 PolarHBondContact O-N 3.11Å; C245-T309 WeakPolarHBondContact CA-OG1 3.25Å; C245-T309 HydrophobicContact CB-CG2 3.67Å; C245-T309 WeakPolarHBondContact O-CB 3.42Å; C245-T309 PolarHBondContact O-OG1 3.4Å; C245-T309 VanDerWaalsContact SG-CG2 3.55Å; C245-V360 HydrophobicContact CB-CG1 3.67Å
246A98.6Very high96.7Very high0 Ų015.4 Ų15.40%011%0.105CC..Hα-helixtrans-58.6-45.5174.300000111.4V242 V243 G248 M249 V250 V263 L356 V360V242-A246 PolarHBondContact O-N 3.38Å; V242-A246 VanDerWaalsContact O-N 3.16Å; V243-A246 WeakPolarHBondContact O-CB 3.22Å; V243-A246 PolarHBondContact O-N 2.82Å; A246-G248 VanDerWaalsContact C-N 3.31Å; A246-G248 PolarHBondContact O-N 3.2Å; A246-M249 WeakPolarHBondContact O-CB 3.26Å; A246-M249 PolarHBondContact O-N 3.37Å; A246-M249 VanDerWaalsContact O-N 3.16Å; A246-V250 WeakPolarHBondContact O-CG2 3.42Å; A246-V250 PolarHBondContact O-N 3.33Å; A246-V263 HydrophobicContact CB-CG1 3.59Å; A246-L356 HydrophobicContact CB-CD1 4.38Å; A246-L356 HydrophobicContact CB-CD2 4.22Å; A246-L356 HydrophobicContact CB-CG 4.31Å; A246-V360 HydrophobicContact CB-CG2 3.7Å
247A98.7Very high96.8Very high0 Ų019.7 Ų19.70%013%0.134CC..Hα-helixtrans-60.1-38.6177.600000112.7V243 A244 C245 V250 D251 I264 C300V243-A247 PolarHBondContact O-N 2.99Å; A244-A247 PolarHBondContact O-N 3.31Å; C245-A247 VanDerWaalsContact C-N 3.32Å; C245-A247 PolarHBondContact O-N 3.31Å; A247-V250 WeakPolarHBondContact O-CB 3.43Å; A247-V250 PolarHBondContact O-N 2.9Å; A247-D251 PolarHBondContact O-N 3.38Å; A247-D251 VanDerWaalsContact O-N 3.13Å; A247-I264 HydrophobicContact CB-CG1 4.46Å; A247-C300 HydrophobicContact CB-CB 3.82Å
248G98.6Very high97.1Very high0 Ų026.5 Ų26.50%017%0.171CC..Hα-helixtrans-69.2-39174.200000113.1A244 C245 A246 V250 D251 G252 R306 T309 E310A244-G248 PolarHBondContact O-N 2.98Å; C245-G248 PolarHBondContact O-N 3.13Å; A246-G248 VanDerWaalsContact C-N 3.31Å; A246-G248 PolarHBondContact O-N 3.2Å; G248-V250 VanDerWaalsContact C-N 3.3Å; G248-V250 PolarHBondContact O-N 2.78Å; G248-D251 WeakPolarHBondContact O-CB 3.35Å; G248-D251 PolarHBondContact O-N 3.07Å; G248-G252 PolarHBondContact O-N 3.09Å; G248-R306 WeakPolarHBondContact CA-O 2.98Å; G248-T309 WeakPolarHBondContact CA-OG1 3.47Å; G248-E310 WeakPolarHBondContact O-CA 3.2Å; G248-E310 WeakPolarHBondContact O-CB 2.88Å; G248-E310 PolarHBondContact O-N 2.89Å
249M98.7Very high97.5Very high0 Ų028.6 Ų28.60%018%0.184CC..Hα-helixtrans-60-41.2173.1-66.4168.8-171.300111.5C245 A246 D251 G252 L253 T309 V360 I363 C364 V370 L373C245-M249 WeakPolarHBondContact O-CG 3.45Å; C245-M249 PolarHBondContact O-N 3.11Å; A246-M249 WeakPolarHBondContact O-CB 3.26Å; A246-M249 PolarHBondContact O-N 3.37Å; A246-M249 VanDerWaalsContact O-N 3.16Å; M249-D251 PolarHBondContact O-N 2.68Å; M249-G252 PolarHBondContact O-N 3.31Å; M249-L253 WeakPolarHBondContact O-CB 3.4Å; M249-L253 VanDerWaalsContact O-CG 3.29Å; M249-L253 WeakPolarHBondContact O-CG 3.3Å; M249-L253 PolarHBondContact O-N 2.97Å; M249-T309 HydrophobicContact CE-CG2 4.31Å; M249-V360 HydrophobicContact CE-CG1 4.35Å; M249-I363 HydrophobicContact CE-CB 4.17Å; M249-I363 HydrophobicContact CE-CG2 3.7Å; M249-I363 HydrophobicContact SD-CB 4.35Å; M249-I363 HydrophobicContact SD-CD1 4.16Å; M249-I363 HydrophobicContact SD-CG2 3.83Å; M249-C364 WeakPolarHBondContact CE-SG 3.29Å; M249-V370 HydrophobicContact CB-CG2 4.02Å; M249-V370 HydrophobicContact CG-CG2 3.99Å; M249-V370 HydrophobicContact SD-CG2 4.37Å; M249-L373 HydrophobicContact CB-CD2 3.67Å; M249-L373 HydrophobicContact SD-CD2 4.27Å
250V98.6Very high97.7Very high0 Ų029.1 Ų29.10%019%0.186CC..Hα-helixtrans-58.5-46.6174175.30000111.1A246 A247 G248 G252 L253 G254 Y255 T259 K260 V263 L373 I374A246-V250 WeakPolarHBondContact O-CG2 3.42Å; A246-V250 PolarHBondContact O-N 3.33Å; A247-V250 WeakPolarHBondContact O-CB 3.43Å; A247-V250 PolarHBondContact O-N 2.9Å; G248-V250 VanDerWaalsContact C-N 3.3Å; G248-V250 PolarHBondContact O-N 2.78Å; V250-G252 VanDerWaalsContact C-N 3.29Å; V250-G252 PolarHBondContact O-N 2.91Å; V250-L253 PolarHBondContact O-N 2.85Å; V250-G254 PolarHBondContact O-N 3.32Å; V250-Y255 HydrophobicContact CG1-CD2 4.47Å; V250-Y255 HydrophobicContact CG1-CG 4.48Å; V250-Y255 PolarHBondContact O-N 3.39Å; V250-T259 HydrophobicContact CG1-CG2 4.14Å; V250-K260 HydrophobicContact CG1-CB 3.94Å; V250-K260 HydrophobicContact CG1-CG 4.49Å; V250-V263 HydrophobicContact CG2-CB 4.19Å; V250-V263 HydrophobicContact CG2-CG1 4.24Å; V250-V263 HydrophobicContact CG2-CG2 3.71Å; V250-L373 HydrophobicContact CG2-CD2 3.97Å; V250-I374 HydrophobicContact CG2-CD1 4.28Å
251D98.5Very high97.8Very high35 Ų3531.2 Ų31.219%0.18721%0.205CC..Hα-helixtrans-59.8-41.2175.9-65.6-31.1000111.2A247 G248 M249 G254 K260 R306 E310A247-D251 PolarHBondContact O-N 3.38Å; A247-D251 VanDerWaalsContact O-N 3.13Å; G248-D251 WeakPolarHBondContact O-CB 3.35Å; G248-D251 PolarHBondContact O-N 3.07Å; M249-D251 PolarHBondContact O-N 2.68Å; D251-G254 PolarHBondContact O-N 3.4Å; D251-K260 WeakPolarHBondContact OD1-CD 3.32Å; D251-K260 WeakPolarHBondContact OD1-CE 3.15Å; D251-K260 IonicContact OD1-NZ 3.91Å; D251-K260 PolarHBondContact OD1-NZ 3.03Å; D251-K260 IonicContact OD2-NZ 2.8Å; D251-K260 PolarHBondContact OD2-NZ 3.49Å; D251-R306 WeakPolarHBondContact OD2-CD 3.46Å; D251-R306 WeakPolarHBondContact OD2-CG 3.22Å; D251-R306 IonicContact OD2-CZ 3.58Å; D251-R306 IonicContact OD2-NE 2.65Å; D251-R306 IonicContact OD2-NH1 2.68Å; D251-R306 PolarHBondContact OD2-NH1 2.98Å; D251-E310 HydrophobicContact CB-CB 4.31Å; D251-E310 HydrophobicContact CB-CG 3.89Å
252G98.3Very high98Very high12 Ų1233.1 Ų33.112%0.12422%0.221CC..Hα-helixtrans-73-30-177.900000114.4G248 M249 V250 G254 K314G248-G252 PolarHBondContact O-N 3.09Å; M249-G252 PolarHBondContact O-N 3.31Å; V250-G252 VanDerWaalsContact C-N 3.29Å; V250-G252 PolarHBondContact O-N 2.91Å; G252-G254 PolarHBondContact O-N 3.16Å; G252-K314 WeakPolarHBondContact O-CG 3.31Å
253L98.3Very high98.1Very high54 Ų5433.3 Ų33.328%0.28322%0.222SC..THydrogen-bonded Turntrans-77.4-5.1173.1-70.4170.5000113.2M249 V250 Y255 A313 V370 D371M249-L253 WeakPolarHBondContact O-CB 3.4Å; M249-L253 VanDerWaalsContact O-CG 3.29Å; M249-L253 WeakPolarHBondContact O-CG 3.3Å; M249-L253 PolarHBondContact O-N 2.97Å; V250-L253 PolarHBondContact O-N 2.85Å; L253-Y255 VanDerWaalsContact C-N 3.34Å; L253-Y255 HydrophobicContact CB-CD2 3.63Å; L253-Y255 HydrophobicContact CB-CE2 3.77Å; L253-Y255 HydrophobicContact CD1-CD2 4.24Å; L253-Y255 HydrophobicContact CD1-CE2 3.86Å; L253-Y255 HydrophobicContact CG-CE2 4.43Å; L253-Y255 PolarHBondContact O-N 2.94Å; L253-A313 HydrophobicContact CG-CB 4.48Å; L253-V370 HydrophobicContact CD1-CG2 4.28Å; L253-V370 HydrophobicContact CD2-CG1 4.19Å; L253-V370 HydrophobicContact CD2-CG2 4.5Å; L253-V370 HydrophobicContact CG-CG2 4.41Å; L253-D371 HydrophobicContact CD2-CB 4.38Å
254G97.9Very high98.1Very high66 Ų6634.1 Ų34.168%0.6823%0.226SC*.THydrogen-bonded Turntrans76.517.4177.500000114.6V250 D251 G252V250-G254 PolarHBondContact O-N 3.32Å; D251-G254 PolarHBondContact O-N 3.4Å; G252-G254 PolarHBondContact O-N 3.16Å
255Y97.9Very high98.1Very high98 Ų9839.1 Ų39.138%0.38425%0.245SC..  trans-71.7150.5173.6-74.3-67.7000111.8V250 L253 T259 I374V250-Y255 HydrophobicContact CG1-CD2 4.47Å; V250-Y255 HydrophobicContact CG1-CG 4.48Å; V250-Y255 PolarHBondContact O-N 3.39Å; L253-Y255 VanDerWaalsContact C-N 3.34Å; L253-Y255 HydrophobicContact CB-CD2 3.63Å; L253-Y255 HydrophobicContact CB-CE2 3.77Å; L253-Y255 HydrophobicContact CD1-CD2 4.24Å; L253-Y255 HydrophobicContact CD1-CE2 3.86Å; L253-Y255 HydrophobicContact CG-CE2 4.43Å; L253-Y255 PolarHBondContact O-N 2.94Å; Y255-T259 HydrophobicContact CD1-CG2 4.18Å; Y255-T259 HydrophobicContact CD2-CG2 4.43Å; Y255-T259 HydrophobicContact CG-CG2 3.94Å; Y255-I374 HydrophobicContact CD2-CD1 4.5Å; Y255-I374 HydrophobicContact CD2-CG1 4.04Å; Y255-I374 HydrophobicContact CE1-CG1 4.44Å; Y255-I374 HydrophobicContact CE2-CD1 4.38Å; Y255-I374 HydrophobicContact CE2-CG1 3.47Å; Y255-I374 VanDerWaalsContact CE2-CG1 3.47Å
256G96.4Very high98.1Very high47 Ų4739.4 Ų39.449%0.48525%0.247SC..  trans-78.4173.7-179.200000114.7N258 T259 K260G256-N258 PolarHBondContact O-N 3.39Å; G256-N258 VanDerWaalsContact O-N 3.16Å; G256-T259 PolarHBondContact O-N 2.91Å; G256-T259 VanDerWaalsContact O-N 3.11Å; G256-K260 PolarHBondContact O-N 3Å
257S97.1Very high98.1Very high90 Ų9039.4 Ų39.463%0.62925%0.247SC*.Hα-helixtrans-56.7-32.1-177.1-54.80000114.3K260 A261S257-K260 PolarHBondContact O-N 2.83Å; S257-A261 WeakPolarHBondContact O-CB 3.16Å; S257-A261 PolarHBondContact O-N 3.15Å
258N97.7Very high98.1Very high144 Ų14440.5 Ų40.577%0.7725%0.251SS*.Hα-helixtrans-65.6-44177.8-69.5-14.1000111.9G256 K260 A261 A262G256-N258 PolarHBondContact O-N 3.39Å; G256-N258 VanDerWaalsContact O-N 3.16Å; N258-K260 VanDerWaalsContact C-N 3.34Å; N258-A261 PolarHBondContact O-N 3.02Å; N258-A262 PolarHBondContact O-N 3.5Å
259T97.4Very high98Very high43 Ų4342.7 Ų42.726%0.26426%0.263SS..Hα-helixtrans-63.6-43.6175.5-54.10000110.4V250 Y255 G256 A261 A262 V263 I374V250-T259 HydrophobicContact CG1-CG2 4.14Å; Y255-T259 HydrophobicContact CD1-CG2 4.18Å; Y255-T259 HydrophobicContact CD2-CG2 4.43Å; Y255-T259 HydrophobicContact CG-CG2 3.94Å; G256-T259 PolarHBondContact O-N 2.91Å; G256-T259 VanDerWaalsContact O-N 3.11Å; T259-A261 VanDerWaalsContact C-N 3.34Å; T259-A261 PolarHBondContact O-N 3.29Å; T259-A262 PolarHBondContact O-N 3.17Å; T259-V263 WeakPolarHBondContact O-CG2 3.38Å; T259-V263 PolarHBondContact O-N 2.82Å; T259-I374 HydrophobicContact CG2-CD1 3.59Å; T259-I374 HydrophobicContact CG2-CG1 4.28Å
260K98.4Very high98Very high11 Ų1142.8 Ų42.85%0.04826%0.263CS..Hα-helixtrans-60.3-43.8176.4-170.5175-172.3167.10112V250 D251 G256 S257 N258 A262 V263 I264 C300 Y301V250-K260 HydrophobicContact CG1-CB 3.94Å; V250-K260 HydrophobicContact CG1-CG 4.49Å; D251-K260 WeakPolarHBondContact OD1-CD 3.32Å; D251-K260 WeakPolarHBondContact OD1-CE 3.15Å; D251-K260 IonicContact OD1-NZ 3.91Å; D251-K260 PolarHBondContact OD1-NZ 3.03Å; D251-K260 IonicContact OD2-NZ 2.8Å; D251-K260 PolarHBondContact OD2-NZ 3.49Å; G256-K260 PolarHBondContact O-N 3Å; S257-K260 PolarHBondContact O-N 2.83Å; N258-K260 VanDerWaalsContact C-N 3.34Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-A262 PolarHBondContact O-N 3.41Å; K260-V263 PolarHBondContact O-N 3.48Å; K260-I264 HydrophobicContact CG-CD1 4.05Å; K260-I264 VanDerWaalsContact O-CG1 3.31Å; K260-I264 WeakPolarHBondContact O-CG1 3.27Å; K260-I264 PolarHBondContact O-N 3.1Å; K260-C300 WeakPolarHBondContact CE-O 3.4Å; K260-C300 PolarHBondContact NZ-O 3.47Å; K260-Y301 HydrophobicContact CD-CE1 4.29Å
261A98.2Very high97.9Very high51 Ų5142.8 Ų42.842%0.42126%0.263SS..Hα-helixtrans-61.6-41.1176.200000112S257 N258 T259 I264 R265S257-A261 WeakPolarHBondContact O-CB 3.16Å; S257-A261 PolarHBondContact O-N 3.15Å; N258-A261 PolarHBondContact O-N 3.02Å; T259-A261 VanDerWaalsContact C-N 3.34Å; T259-A261 PolarHBondContact O-N 3.29Å; A261-I264 PolarHBondContact O-N 3.17Å; A261-R265 WeakPolarHBondContact O-CB 3.22Å; A261-R265 PolarHBondContact O-N 3.17Å
262A97.6Very high97.8Very high45 Ų4541.8 Ų41.837%0.37226%0.258SS..Hα-helixtrans-61.7-44.4174.900000112N258 T259 K260 R265 L266N258-A262 PolarHBondContact O-N 3.5Å; T259-A262 PolarHBondContact O-N 3.17Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-A262 PolarHBondContact O-N 3.41Å; A262-R265 PolarHBondContact O-N 3.46Å; A262-L266 WeakPolarHBondContact O-CG 3.49Å; A262-L266 PolarHBondContact O-N 2.73Å
263V98.2Very high97.8Very high3 Ų345.4 Ų45.42%0.01827%0.272CS..Hα-helixtrans-63.1-42.7176.7169.90000111.9A246 V250 T259 K260 L266 G267 L356 I374 L377A246-V263 HydrophobicContact CB-CG1 3.59Å; V250-V263 HydrophobicContact CG2-CB 4.19Å; V250-V263 HydrophobicContact CG2-CG1 4.24Å; V250-V263 HydrophobicContact CG2-CG2 3.71Å; T259-V263 WeakPolarHBondContact O-CG2 3.38Å; T259-V263 PolarHBondContact O-N 2.82Å; K260-V263 PolarHBondContact O-N 3.48Å; V263-L266 PolarHBondContact O-N 3.33Å; V263-G267 PolarHBondContact O-N 3.27Å; V263-L356 HydrophobicContact CG1-CD1 3.97Å; V263-L356 WeakPolarHBondContact O-CD1 3.33Å; V263-I374 HydrophobicContact CG2-CD1 4.08Å; V263-L377 HydrophobicContact CG2-CD1 3.76Å
264I98.5Very high97.6Very high17 Ų1743.1 Ų43.19%0.08726%0.259CS..Hα-helixtrans-62.6-44.3175.7-67168.5000110.5A247 K260 A261 G267 F268 L296 C300 Y301A247-I264 HydrophobicContact CB-CG1 4.46Å; K260-I264 HydrophobicContact CG-CD1 4.05Å; K260-I264 VanDerWaalsContact O-CG1 3.31Å; K260-I264 WeakPolarHBondContact O-CG1 3.27Å; K260-I264 PolarHBondContact O-N 3.1Å; A261-I264 PolarHBondContact O-N 3.17Å; I264-G267 PolarHBondContact O-N 2.96Å; I264-F268 WeakPolarHBondContact O-CB 3.36Å; I264-F268 PolarHBondContact O-N 3.28Å; I264-L296 HydrophobicContact CG2-CD2 4.08Å; I264-L296 HydrophobicContact CG2-CG 4.27Å; I264-C300 HydrophobicContact CD1-CB 3.7Å; I264-C300 HydrophobicContact CG1-CB 3.95Å; I264-Y301 HydrophobicContact CD1-CE2 3.9Å
265R98.3Very high97.4Very high105 Ų10540 Ų4040%0.39623%0.227SC..Hα-helixtrans-61.2-48.6178.2-174.5-162.571.295.5-7.3111.8A261 A262 G267 F268 I269 A382 N383A261-R265 WeakPolarHBondContact O-CB 3.22Å; A261-R265 PolarHBondContact O-N 3.17Å; A262-R265 PolarHBondContact O-N 3.46Å; R265-G267 VanDerWaalsContact C-N 3.34Å; R265-F268 PolarHBondContact O-N 3.47Å; R265-I269 HydrophobicContact CG-CD1 4.4Å; R265-I269 WeakPolarHBondContact O-CG1 3.33Å; R265-I269 PolarHBondContact O-N 3.34Å; R265-A382 PolarHBondContact NH1-O 2.73Å; R265-A382 PolarHBondContact NH2-O 2.71Å; R265-N383 PolarHBondContact NH2-OD1 3.32Å
266L98.1Very high97.2Very high6 Ų638.6 Ų38.63%0.03122%0.223CC..Hα-helixtrans-61.3-44.9178-69.9178.7000110.9A262 V263 F268 I269 E270 L356 L377 H380 A382A262-L266 WeakPolarHBondContact O-CG 3.49Å; A262-L266 PolarHBondContact O-N 2.73Å; V263-L266 PolarHBondContact O-N 3.33Å; L266-F268 VanDerWaalsContact C-N 3.3Å; L266-F268 PolarHBondContact O-N 2.87Å; L266-I269 PolarHBondContact O-N 3.04Å; L266-I269 VanDerWaalsContact O-N 3.13Å; L266-E270 PolarHBondContact O-N 2.97Å; L266-L356 HydrophobicContact CB-CD1 4.27Å; L266-L377 HydrophobicContact CD1-CB 4.11Å; L266-H380 HydrophobicContact CD1-CB 4.22Å; L266-H380 HydrophobicContact CD2-CB 4.17Å; L266-A382 HydrophobicContact CD2-CB 4.05Å
267G98Very high97Very high0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-61.5-37.417600000113.1V263 I264 R265 E270 M271V263-G267 PolarHBondContact O-N 3.27Å; I264-G267 PolarHBondContact O-N 2.96Å; R265-G267 VanDerWaalsContact C-N 3.34Å; G267-E270 PolarHBondContact O-N 3.45Å; G267-M271 WeakPolarHBondContact O-CG 3.44Å; G267-M271 PolarHBondContact O-N 3.32Å
268F98.4Very high96.6Very high23 Ų2339.1 Ų39.110%0.10120%0.199CC..Hα-helixtrans-65.5-38.1174.6-173.8-120.4000112.5I264 R265 L266 M271 I272 F287 F288 L293 L296I264-F268 WeakPolarHBondContact O-CB 3.36Å; I264-F268 PolarHBondContact O-N 3.28Å; R265-F268 PolarHBondContact O-N 3.47Å; L266-F268 VanDerWaalsContact C-N 3.3Å; L266-F268 PolarHBondContact O-N 2.87Å; F268-M271 WeakPolarHBondContact O-CB 3.36Å; F268-M271 PolarHBondContact O-N 2.79Å; F268-I272 HydrophobicContact CD1-CD1 3.98Å; F268-I272 HydrophobicContact CE1-CD1 3.71Å; F268-I272 HydrophobicContact CZ-CD1 4.02Å; F268-I272 WeakPolarHBondContact O-CG1 3.5Å; F268-I272 PolarHBondContact O-N 3.29Å; F268-I272 VanDerWaalsContact O-N 3.12Å; F268-F287 HydrophobicContact CE2-CB 3.93Å; F268-F287 WeakPolarHBondContact CE2-O 3.28Å; F268-F287 HydrophobicContact CZ-CB 3.76Å; F268-F287 WeakPolarHBondContact CZ-O 3.38Å; F268-F288 HydrophobicContact CE1-CE1 4.35Å; F268-F288 HydrophobicContact CE1-CZ 4.25Å; F268-L293 HydrophobicContact CD2-CD1 4.46Å; F268-L293 HydrophobicContact CE1-CD1 4.49Å; F268-L293 HydrophobicContact CE2-CB 4.09Å; F268-L293 HydrophobicContact CE2-CD1 4.36Å; F268-L293 HydrophobicContact CZ-CB 4.14Å; F268-L293 HydrophobicContact CZ-CD1 4.37Å; F268-L296 HydrophobicContact CB-CD2 3.7Å; F268-L296 HydrophobicContact CD2-CD2 3.75Å; F268-L296 HydrophobicContact CG-CD2 4.11Å
269I97.8Very high96.3Very high47 Ų4735.3 Ų35.324%0.24117%0.174CC..Hα-helixtrans-66.3-46.8174.7-69.1170.5000110.5R265 L266 M271 I272 E273 A382R265-I269 HydrophobicContact CG-CD1 4.4Å; R265-I269 WeakPolarHBondContact O-CG1 3.33Å; R265-I269 PolarHBondContact O-N 3.34Å; L266-I269 PolarHBondContact O-N 3.04Å; L266-I269 VanDerWaalsContact O-N 3.13Å; I269-M271 VanDerWaalsContact C-N 3.26Å; I269-M271 PolarHBondContact O-N 3.1Å; I269-I272 WeakPolarHBondContact O-CB 3.43Å; I269-I272 PolarHBondContact O-N 2.77Å; I269-I272 VanDerWaalsContact O-N 3.08Å; I269-E273 HydrophobicContact CG2-CG 4.33Å; I269-E273 PolarHBondContact O-N 3.45Å; I269-A382 HydrophobicContact CD1-CB 3.8Å; I269-A382 HydrophobicContact CG2-CB 4.24Å
270E97.7Very high96.2Very high2 Ų238.4 Ų38.41%0.00920%0.195CC..Hα-helixtrans-60.9-36.4176.2-73.3-171.2-153.500112L266 G267 I272 F274 F354 P355 L356 L357 H380L266-E270 PolarHBondContact O-N 2.97Å; G267-E270 PolarHBondContact O-N 3.45Å; E270-I272 PolarHBondContact O-N 3.18Å; E270-F274 WeakPolarHBondContact O-CB 3.38Å; E270-F274 PolarHBondContact O-N 3.3Å; E270-F354 HydrophobicContact CB-CD1 4.09Å; E270-F354 HydrophobicContact CG-CD1 4.14Å; E270-F354 VanDerWaalsContact OE2-C 3.26Å; E270-F354 WeakPolarHBondContact OE2-CA 3.49Å; E270-P355 WeakPolarHBondContact OE1-CD 3.24Å; E270-P355 WeakPolarHBondContact OE1-CG 3.47Å; E270-L356 WeakPolarHBondContact OE1-CA 3.2Å; E270-L356 WeakPolarHBondContact OE1-CB 3.08Å; E270-L356 PolarHBondContact OE1-N 2.92Å; E270-L356 WeakPolarHBondContact OE2-CB 3.44Å; E270-L356 PolarHBondContact OE2-N 2.94Å; E270-L357 HydrophobicContact CB-CD1 4.26Å; E270-L357 HydrophobicContact CB-CG 4.27Å; E270-L357 VanDerWaalsContact OE2-CG 3.26Å; E270-L357 WeakPolarHBondContact OE2-CG 3.43Å; E270-L357 PolarHBondContact OE2-N 2.66Å; E270-H380 WeakPolarHBondContact CG-NE2 3.29Å; E270-H380 IonicContact OE1-CD2 2.74Å; E270-H380 PolarHBondContact OE1-CD2 3.34Å; E270-H380 VanDerWaalsContact OE1-CD2 3.28Å; E270-H380 IonicContact OE1-CE1 2.94Å; E270-H380 IonicContact OE1-NE2 3.26Å; E270-H380 PolarHBondContact OE1-NE2 2.76Å
271M96.7Very high96Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-57.9-47.1171.7-75.3169.662.700112.3C236 L239 K240 V243 G267 F268 I269 I275 L296C236-M271 HydrophobicContact CB-CE 4.22Å; L239-M271 HydrophobicContact CB-CE 4.48Å; L239-M271 HydrophobicContact CB-CG 3.66Å; L239-M271 HydrophobicContact CB-SD 4.41Å; L239-M271 HydrophobicContact CD2-CB 4.25Å; L239-M271 HydrophobicContact CD2-CG 3.98Å; K240-M271 HydrophobicContact CB-CE 4.22Å; K240-M271 HydrophobicContact CB-SD 4.48Å; V243-M271 HydrophobicContact CG2-CG 4.3Å; V243-M271 HydrophobicContact CG2-SD 3.94Å; G267-M271 WeakPolarHBondContact O-CG 3.44Å; G267-M271 PolarHBondContact O-N 3.32Å; F268-M271 WeakPolarHBondContact O-CB 3.36Å; F268-M271 PolarHBondContact O-N 2.79Å; I269-M271 VanDerWaalsContact C-N 3.26Å; I269-M271 PolarHBondContact O-N 3.1Å; M271-I275 WeakPolarHBondContact O-CB 3.37Å; M271-I275 WeakPolarHBondContact O-CG1 3.27Å; M271-I275 PolarHBondContact O-N 2.83Å; M271-I275 VanDerWaalsContact O-N 3.11Å; M271-L296 HydrophobicContact SD-CD1 4.1Å; M271-L296 HydrophobicContact SD-CD2 4.02Å
272I97.7Very high95.9Very high14 Ų1443.3 Ų43.37%0.07222%0.216CC..Hα-helixtrans-61.8-53.7179.1-68.4162.6000110.8F268 I269 E270 F274 I275 K276 L284 F287F268-I272 HydrophobicContact CD1-CD1 3.98Å; F268-I272 HydrophobicContact CE1-CD1 3.71Å; F268-I272 HydrophobicContact CZ-CD1 4.02Å; F268-I272 WeakPolarHBondContact O-CG1 3.5Å; F268-I272 PolarHBondContact O-N 3.29Å; F268-I272 VanDerWaalsContact O-N 3.12Å; I269-I272 WeakPolarHBondContact O-CB 3.43Å; I269-I272 PolarHBondContact O-N 2.77Å; I269-I272 VanDerWaalsContact O-N 3.08Å; E270-I272 PolarHBondContact O-N 3.18Å; I272-F274 VanDerWaalsContact C-N 3.34Å; I272-F274 PolarHBondContact O-N 3.03Å; I272-I275 PolarHBondContact O-N 2.84Å; I272-K276 HydrophobicContact CG2-CD 3.93Å; I272-K276 WeakPolarHBondContact O-CB 3.15Å; I272-K276 WeakPolarHBondContact O-CG 3.39Å; I272-K276 PolarHBondContact O-N 3.01Å; I272-L284 HydrophobicContact CD1-CD1 3.97Å; I272-L284 HydrophobicContact CG1-CD1 4.43Å; I272-L284 HydrophobicContact CG2-CD1 4.1Å; I272-F287 VanDerWaalsContact CA-CE1 3.45Å; I272-F287 HydrophobicContact CB-CD1 4.32Å; I272-F287 HydrophobicContact CB-CE1 4.16Å; I272-F287 HydrophobicContact CB-CZ 4.34Å; I272-F287 HydrophobicContact CD1-CB 4.45Å; I272-F287 HydrophobicContact CD1-CG 4.46Å; I272-F287 HydrophobicContact CG1-CB 4.08Å; I272-F287 HydrophobicContact CG1-CD1 3.45Å; I272-F287 VanDerWaalsContact CG1-CD1 3.45Å; I272-F287 HydrophobicContact CG1-CD2 4.1Å; I272-F287 HydrophobicContact CG1-CE1 3.8Å; I272-F287 HydrophobicContact CG1-CE2 4.4Å; I272-F287 HydrophobicContact CG1-CG 3.61Å; I272-F287 HydrophobicContact CG1-CZ 4.25Å; I272-F287 HydrophobicContact CG2-CE2 4.44Å; I272-F287 HydrophobicContact CG2-CZ 4.44Å
273E96.6Very high95.9Very high88 Ų8845.7 Ų45.741%0.41122%0.218SC..Hα-helixtrans-67.6-36.8-174.6-64.9-51129.800111.8I269 K276 R277 F354I269-E273 HydrophobicContact CG2-CG 4.33Å; I269-E273 PolarHBondContact O-N 3.45Å; E273-K276 IonicContact OE1-NZ 2.88Å; E273-R277 WeakPolarHBondContact O-CB 3.36Å; E273-R277 PolarHBondContact O-N 3.25Å; E273-F354 HydrophobicContact CB-CE1 4.02Å; E273-F354 HydrophobicContact CB-CZ 4.46Å
274F94.1Very high95.9Very high6 Ų649.8 Ų49.83%0.02624%0.239CC..Hα-helixtrans-65.5-48.5177.5-175.2-92.1000111.6I165 L239 E270 I272 R277 L278 L341 M344 I345 F354 L357I165-F274 HydrophobicContact CG2-CE1 3.96Å; I165-F274 HydrophobicContact CG2-CZ 4.35Å; L239-F274 HydrophobicContact CD1-CD1 4.36Å; L239-F274 HydrophobicContact CD2-CB 4.05Å; L239-F274 HydrophobicContact CD2-CD1 3.66Å; L239-F274 HydrophobicContact CD2-CE1 4.49Å; L239-F274 HydrophobicContact CD2-CG 4.1Å; L239-F274 HydrophobicContact CG-CD1 4.5Å; E270-F274 WeakPolarHBondContact O-CB 3.38Å; E270-F274 PolarHBondContact O-N 3.3Å; I272-F274 VanDerWaalsContact C-N 3.34Å; I272-F274 PolarHBondContact O-N 3.03Å; F274-R277 WeakPolarHBondContact O-CB 3.46Å; F274-R277 PolarHBondContact O-N 3.39Å; F274-L278 HydrophobicContact CD1-CD1 4.12Å; F274-L278 HydrophobicContact CE1-CD1 3.34Å; F274-L278 HydrophobicContact CE1-CG 4.07Å; F274-L278 HydrophobicContact CZ-CD1 3.7Å; F274-L278 HydrophobicContact CZ-CG 4.24Å; F274-L278 PolarHBondContact O-N 3.37Å; F274-L341 HydrophobicContact CD1-CD2 4.33Å; F274-L341 HydrophobicContact CE1-CD2 3.53Å; F274-L341 HydrophobicContact CE2-CD2 4.12Å; F274-L341 HydrophobicContact CZ-CD2 3.43Å; F274-L341 VanDerWaalsContact CZ-CD2 3.43Å; F274-M344 HydrophobicContact CE1-CE 4.35Å; F274-M344 HydrophobicContact CE2-CE 4.35Å; F274-M344 HydrophobicContact CE2-SD 4.44Å; F274-M344 HydrophobicContact CZ-CE 3.5Å; F274-M344 HydrophobicContact CZ-SD 3.77Å; F274-I345 HydrophobicContact CD2-CD1 4.22Å; F274-I345 HydrophobicContact CD2-CG1 4.16Å; F274-I345 HydrophobicContact CE2-CD1 4.11Å; F274-I345 HydrophobicContact CE2-CG1 3.78Å; F274-F354 HydrophobicContact CB-CD1 4.21Å; F274-F354 HydrophobicContact CB-CE1 3.61Å; F274-F354 HydrophobicContact CB-CZ 4.06Å; F274-F354 HydrophobicContact CD2-CD1 4.46Å; F274-F354 HydrophobicContact CD2-CE1 4.19Å; F274-F354 HydrophobicContact CD2-CE2 4.29Å; F274-F354 HydrophobicContact CD2-CZ 4.1Å; F274-F354 HydrophobicContact CG-CE1 4.43Å; F274-L357 HydrophobicContact CB-CD1 4.39Å; F274-L357 HydrophobicContact CD2-CD1 4.39Å; F274-L357 HydrophobicContact CG-CD1 4.41Å
275I93.7Very high95.8Very high0 Ų053.4 Ų53.40%026%0.262CS..Hα-helixtrans-66.2-40.6179.8-71.1168.3000110.7T232 L235 L239 M271 I272 R277 L278 Y279 F287T232-I275 HydrophobicContact CG2-CG2 4.12Å; L235-I275 HydrophobicContact CB-CD1 3.55Å; L235-I275 HydrophobicContact CB-CG1 3.75Å; L235-I275 HydrophobicContact CD1-CG1 4.18Å; L239-I275 HydrophobicContact CD2-CD1 4.48Å; L239-I275 HydrophobicContact CD2-CG1 4.36Å; M271-I275 WeakPolarHBondContact O-CB 3.37Å; M271-I275 WeakPolarHBondContact O-CG1 3.27Å; M271-I275 PolarHBondContact O-N 2.83Å; M271-I275 VanDerWaalsContact O-N 3.11Å; I272-I275 PolarHBondContact O-N 2.84Å; I275-R277 VanDerWaalsContact C-N 3.28Å; I275-R277 PolarHBondContact O-N 2.93Å; I275-L278 PolarHBondContact O-N 2.85Å; I275-Y279 WeakPolarHBondContact O-CA 3.11Å; I275-Y279 PolarHBondContact O-N 2.89Å; I275-F287 HydrophobicContact CB-CE1 4.08Å; I275-F287 HydrophobicContact CB-CZ 3.83Å; I275-F287 HydrophobicContact CD1-CE1 3.76Å; I275-F287 HydrophobicContact CD1-CZ 4.3Å; I275-F287 HydrophobicContact CG1-CE1 4.45Å; I275-F287 HydrophobicContact CG2-CE1 4.39Å; I275-F287 HydrophobicContact CG2-CZ 3.83Å
276K95.5Very high95.9Very high68 Ų6848.4 Ų48.430%0.29624%0.243SC..Hα-helixtrans-60.3-36.5173.5-78.4177.4178.5173.20112.9I272 E273 L278 Y279 P280 S282I272-K276 HydrophobicContact CG2-CD 3.93Å; I272-K276 WeakPolarHBondContact O-CB 3.15Å; I272-K276 WeakPolarHBondContact O-CG 3.39Å; I272-K276 PolarHBondContact O-N 3.01Å; E273-K276 IonicContact OE1-NZ 2.88Å; K276-L278 VanDerWaalsContact C-N 3.32Å; K276-L278 PolarHBondContact O-N 3.45Å; K276-Y279 CarbonylContact O-C 3.28Å; K276-Y279 VanDerWaalsContact O-C 3.28Å; K276-P280 VanDerWaalsContact O-CA 3.28Å; K276-P280 WeakPolarHBondContact O-CA 3.11Å; K276-S282 WeakPolarHBondContact CA-OG 3.38Å; K276-S282 VanDerWaalsContact CG-OG 3.28Å; K276-S282 WeakPolarHBondContact CG-OG 3.46Å
277R92.3Very high95.9Very high116 Ų11648.1 Ų48.144%0.43824%0.242SC..Hα-helixtrans-65.3-36.9177.4-171.267.273.7117.55.8112.1E273 F274 I275 L350 E353E273-R277 WeakPolarHBondContact O-CB 3.36Å; E273-R277 PolarHBondContact O-N 3.25Å; F274-R277 WeakPolarHBondContact O-CB 3.46Å; F274-R277 PolarHBondContact O-N 3.39Å; I275-R277 VanDerWaalsContact C-N 3.28Å; I275-R277 PolarHBondContact O-N 2.93Å; R277-L350 HydrophobicContact CG-CD1 4.22Å; R277-E353 IonicContact CZ-OE1 2.77Å; R277-E353 IonicContact CZ-OE2 3.15Å; R277-E353 IonicContact NH2-OE1 2.72Å; R277-E353 PolarHBondContact NH2-OE1 3.42Å; R277-E353 IonicContact NH2-OE2 2.75Å; R277-E353 PolarHBondContact NH2-OE2 3.46Å
278L87.9Confident95.9Very high32 Ų3254 Ų5417%0.16827%0.267CS..Hα-helixtrans-81.9-37.7177-64-173.5000113I165 F274 I275 K276 M344I165-L278 HydrophobicContact CG2-CD1 3.58Å; F274-L278 HydrophobicContact CD1-CD1 4.12Å; F274-L278 HydrophobicContact CE1-CD1 3.34Å; F274-L278 HydrophobicContact CE1-CG 4.07Å; F274-L278 HydrophobicContact CZ-CD1 3.7Å; F274-L278 HydrophobicContact CZ-CG 4.24Å; F274-L278 PolarHBondContact O-N 3.37Å; I275-L278 PolarHBondContact O-N 2.85Å; K276-L278 VanDerWaalsContact C-N 3.32Å; K276-L278 PolarHBondContact O-N 3.45Å; L278-M344 HydrophobicContact CD1-SD 4.37Å; L278-M344 HydrophobicContact CD2-SD 4.25Å
279Y91.3Very high95.9Very high64 Ų6455 Ų5525%0.25127%0.272SS..  trans-129.984.1-175.6-60.3-87.8000108.9P167 P231 L235 I275 K276 N281 S282P167-Y279 WeakPolarHBondContact CD-OH 3.26Å; P231-Y279 HydrophobicContact CB-CD1 3.53Å; P231-Y279 HydrophobicContact CB-CD2 3.98Å; P231-Y279 HydrophobicContact CB-CE1 3.63Å; P231-Y279 HydrophobicContact CB-CE2 4.14Å; P231-Y279 HydrophobicContact CB-CG 3.72Å; P231-Y279 HydrophobicContact CG-CD1 3.66Å; P231-Y279 HydrophobicContact CG-CE1 3.79Å; P231-Y279 HydrophobicContact CG-CG 4.29Å; L235-Y279 HydrophobicContact CD1-CD2 3.68Å; L235-Y279 HydrophobicContact CD1-CE2 3.36Å; I275-Y279 WeakPolarHBondContact O-CA 3.11Å; I275-Y279 PolarHBondContact O-N 2.89Å; K276-Y279 CarbonylContact O-C 3.28Å; K276-Y279 VanDerWaalsContact O-C 3.28Å; Y279-N281 PolarHBondContact O-N 2.74Å; Y279-S282 VanDerWaalsContact O-CB 3.25Å; Y279-S282 WeakPolarHBondContact O-CB 3.45Å; Y279-S282 PolarHBondContact O-N 2.7Å; Y279-S282 PolarHBondContact O-OG 3.29Å
280P94.6Very high95.9Very high108 Ų10853.1 Ų53.170%0.70126%0.263SS*.THydrogen-bonded Turntrans-58.4-21.3-177.7-27.836.2000114.6K276 S282K276-P280 VanDerWaalsContact O-CA 3.28Å; K276-P280 WeakPolarHBondContact O-CA 3.11Å; P280-S282 VanDerWaalsContact C-N 3.32Å
281N95Very high95.9Very high153 Ų15353 Ų5382%0.81826%0.263SS*.THydrogen-bonded Turntrans-86.11.8177.2-63-30000113.8Y279Y279-N281 PolarHBondContact O-N 2.74Å
282S96.2Very high95.9Very high13 Ų1353 Ų539%0.09126%0.263CS..  trans-60.3143.1175.354.60000111.3T232 K276 Y279 P280T232-S282 WeakPolarHBondContact OG1-CB 3.48Å; K276-S282 WeakPolarHBondContact CA-OG 3.38Å; K276-S282 VanDerWaalsContact CG-OG 3.28Å; K276-S282 WeakPolarHBondContact CG-OG 3.46Å; Y279-S282 VanDerWaalsContact O-CB 3.25Å; Y279-S282 WeakPolarHBondContact O-CB 3.45Å; Y279-S282 PolarHBondContact O-N 2.7Å; Y279-S282 PolarHBondContact O-OG 3.29Å; P280-S282 VanDerWaalsContact C-N 3.32Å
283K97Very high95.9Very high95 Ų9554.9 Ų54.941%0.41327%0.272SS..  trans-101.2128.1-175.2-62.6169.2-178.4160.70109.3N228 D229 T285 T286 F287N228-K283 PolarHBondContact O-NZ 3.06Å; D229-K283 HydrophobicContact CB-CD 4.41Å; D229-K283 PolarHBondContact OD2-N 2.94Å; K283-T285 PolarHBondContact O-N 2.74Å; K283-T285 VanDerWaalsContact O-N 3.15Å; K283-T286 WeakPolarHBondContact O-CB 3.41Å; K283-T286 PolarHBondContact O-N 2.85Å; K283-T286 PolarHBondContact O-OG1 3.31Å; K283-F287 VanDerWaalsContact O-CD2 3.32Å; K283-F287 WeakPolarHBondContact O-CD2 3.41Å
284L97.9Very high96Very high88 Ų8852.4 Ų52.446%0.46127%0.267SS..G310 helixtrans-54.9-35.9176.4-178.360.9000112I272 T286 F287 F288I272-L284 HydrophobicContact CD1-CD1 3.97Å; I272-L284 HydrophobicContact CG1-CD1 4.43Å; I272-L284 HydrophobicContact CG2-CD1 4.1Å; L284-T286 VanDerWaalsContact C-N 3.26Å; L284-T286 PolarHBondContact O-N 3.49Å; L284-F287 PolarHBondContact O-N 3.37Å; L284-F288 HydrophobicContact CD1-CE2 4.13Å; L284-F288 HydrophobicContact CG-CE2 4.09Å; L284-F288 WeakPolarHBondContact O-CD2 3.36Å
285T98.1Very high96Very high94 Ų9452.3 Ų52.358%0.57727%0.267SS*.G310 helixtrans-59.6-34.1177.8520000112.8K283 F287 F288K283-T285 PolarHBondContact O-N 2.74Å; K283-T285 VanDerWaalsContact O-N 3.15Å; T285-F287 PolarHBondContact O-N 3.49Å; T285-F288 PolarHBondContact O-N 2.83Å
286T98.4Very high96.2Very high0 Ų052.3 Ų52.30%027%0.267CS..G310 helixtrans-61.9-31.1179.7-51.30000112.1V227 D229 T232 V233 K283 L284 F288 E289V227-T286 HydrophobicContact CG2-CG2 4.12Å; D229-T286 HydrophobicContact CB-CG2 4.12Å; D229-T286 WeakPolarHBondContact CB-OG1 3.27Å; D229-T286 WeakPolarHBondContact OD2-CB 3.22Å; D229-T286 PolarHBondContact OD2-OG1 2.93Å; T232-T286 HydrophobicContact CG2-CG2 3.65Å; V233-T286 HydrophobicContact CG2-CG2 3.8Å; K283-T286 WeakPolarHBondContact O-CB 3.41Å; K283-T286 PolarHBondContact O-N 2.85Å; K283-T286 PolarHBondContact O-OG1 3.31Å; L284-T286 VanDerWaalsContact C-N 3.26Å; L284-T286 PolarHBondContact O-N 3.49Å; T286-F288 PolarHBondContact O-N 3.29Å; T286-E289 VanDerWaalsContact O-CB 3.23Å; T286-E289 WeakPolarHBondContact O-CB 3.33Å; T286-E289 WeakPolarHBondContact O-CG 3.34Å; T286-E289 PolarHBondContact O-N 2.91Å
287F98.5Very high96.3Very high0 Ų052.6 Ų52.60%027%0.271CS..G310 helixtrans-70.4-20.6178-62.9-94.3000113.1T232 F268 I272 I275 K283 L284 T285 E289 G292 L293T232-F287 HydrophobicContact CG2-CD1 4.33Å; T232-F287 HydrophobicContact CG2-CD2 4.05Å; T232-F287 HydrophobicContact CG2-CE1 3.91Å; T232-F287 HydrophobicContact CG2-CE2 3.61Å; T232-F287 HydrophobicContact CG2-CG 4.4Å; T232-F287 HydrophobicContact CG2-CZ 3.54Å; F268-F287 HydrophobicContact CE2-CB 3.93Å; F268-F287 WeakPolarHBondContact CE2-O 3.28Å; F268-F287 HydrophobicContact CZ-CB 3.76Å; F268-F287 WeakPolarHBondContact CZ-O 3.38Å; I272-F287 VanDerWaalsContact CA-CE1 3.45Å; I272-F287 HydrophobicContact CB-CD1 4.32Å; I272-F287 HydrophobicContact CB-CE1 4.16Å; I272-F287 HydrophobicContact CB-CZ 4.34Å; I272-F287 HydrophobicContact CD1-CB 4.45Å; I272-F287 HydrophobicContact CD1-CG 4.46Å; I272-F287 HydrophobicContact CG1-CB 4.08Å; I272-F287 HydrophobicContact CG1-CD1 3.45Å; I272-F287 VanDerWaalsContact CG1-CD1 3.45Å; I272-F287 HydrophobicContact CG1-CD2 4.1Å; I272-F287 HydrophobicContact CG1-CE1 3.8Å; I272-F287 HydrophobicContact CG1-CE2 4.4Å; I272-F287 HydrophobicContact CG1-CG 3.61Å; I272-F287 HydrophobicContact CG1-CZ 4.25Å; I272-F287 HydrophobicContact CG2-CE2 4.44Å; I272-F287 HydrophobicContact CG2-CZ 4.44Å; I275-F287 HydrophobicContact CB-CE1 4.08Å; I275-F287 HydrophobicContact CB-CZ 3.83Å; I275-F287 HydrophobicContact CD1-CE1 3.76Å; I275-F287 HydrophobicContact CD1-CZ 4.3Å; I275-F287 HydrophobicContact CG1-CE1 4.45Å; I275-F287 HydrophobicContact CG2-CE1 4.39Å; I275-F287 HydrophobicContact CG2-CZ 3.83Å; K283-F287 VanDerWaalsContact O-CD2 3.32Å; K283-F287 WeakPolarHBondContact O-CD2 3.41Å; L284-F287 PolarHBondContact O-N 3.37Å; T285-F287 PolarHBondContact O-N 3.49Å; F287-E289 VanDerWaalsContact C-N 3.35Å; F287-G292 CarbonylContact O-C 3.48Å; F287-G292 WeakPolarHBondContact O-CA 3.46Å; F287-L293 WeakPolarHBondContact O-CB 3.41Å; F287-L293 PolarHBondContact O-N 2.91Å
288F98.3Very high96.4Very high122 Ų12249.9 Ų49.954%0.53527%0.268SS..G310 helixtrans-89.1-3.8175.5-68.3-86.9000112.9F268 L284 T285 T286 L293F268-F288 HydrophobicContact CE1-CE1 4.35Å; F268-F288 HydrophobicContact CE1-CZ 4.25Å; L284-F288 HydrophobicContact CD1-CE2 4.13Å; L284-F288 HydrophobicContact CG-CE2 4.09Å; L284-F288 WeakPolarHBondContact O-CD2 3.36Å; T285-F288 PolarHBondContact O-N 2.83Å; T286-F288 PolarHBondContact O-N 3.29Å; F288-L293 HydrophobicContact CD1-CD2 4.1Å
289E98.4Very high96.7Very high45 Ų4548.8 Ų48.821%0.2126%0.262CS..SBendtrans-73.7170.7172.7-60.1-68166.100112T201 N225 V227 T286 F287 C291 G292 L293T201-E289 HydrophobicContact CG2-CB 4.02Å; T201-E289 HydrophobicContact CG2-CG 4.27Å; T201-E289 WeakPolarHBondContact OG1-CB 3.29Å; N225-E289 PolarHBondContact ND2-OE1 3.2Å; N225-E289 PolarHBondContact ND2-OE2 3.25Å; V227-E289 HydrophobicContact CG1-CG 4.13Å; T286-E289 VanDerWaalsContact O-CB 3.23Å; T286-E289 WeakPolarHBondContact O-CB 3.33Å; T286-E289 WeakPolarHBondContact O-CG 3.34Å; T286-E289 PolarHBondContact O-N 2.91Å; F287-E289 VanDerWaalsContact C-N 3.35Å; E289-C291 PolarHBondContact O-N 3.22Å; E289-G292 PolarHBondContact O-N 3.43Å; E289-L293 PolarHBondContact O-N 3Å
290S98Very high97Very high7 Ų745.8 Ų45.85%0.04925%0.25CS..Iπ-helixtrans-54.4-37.9178.2179.40000113.2G185 A186 E199 T201 G292 D295G185-S290 WeakPolarHBondContact CA-OG 3.25Å; A186-S290 PolarHBondContact N-OG 3.48Å; A186-S290 VanDerWaalsContact N-OG 3.16Å; E199-S290 PolarHBondContact O-OG 3.35Å; T201-S290 PolarHBondContact OG1-N 2.93Å; S290-G292 PolarHBondContact O-N 3.27Å; S290-D295 VanDerWaalsContact O-CB 3.32Å; S290-D295 WeakPolarHBondContact O-CB 3.08Å; S290-D295 PolarHBondContact O-N 3.04Å
291C96.9Very high97.1Very high0 Ų046.4 Ų46.40%024%0.24CC..Iπ-helixtrans-62.5-26177.4660000114.8M184 T201 V233 C236 E289M184-C291 HydrophobicContact CB-CB 3.64Å; T201-C291 PolarHBondContact OG1-N 2.6Å; T201-C291 VanDerWaalsContact OG1-N 3.11Å; V233-C291 HydrophobicContact CG1-CB 4.02Å; C236-C291 WeakPolarHBondContact CB-O 3.37Å; E289-C291 PolarHBondContact O-N 3.22Å
292G97.7Very high96.8Very high0 Ų042.3 Ų42.30%023%0.233CC..Iπ-helixtrans-97.9-99.9-177.500000111.6F287 E289 S290 A294 D295 L296F287-G292 CarbonylContact O-C 3.48Å; F287-G292 WeakPolarHBondContact O-CA 3.46Å; E289-G292 PolarHBondContact O-N 3.43Å; S290-G292 PolarHBondContact O-N 3.27Å; G292-A294 PolarHBondContact O-N 3.04Å; G292-D295 PolarHBondContact O-N 3.35Å; G292-L296 VanDerWaalsContact O-CB 3.3Å; G292-L296 WeakPolarHBondContact O-CB 3.33Å; G292-L296 PolarHBondContact O-N 2.83Å
293L98Very high96.3Very high53 Ų5342.4 Ų42.428%0.27724%0.236SC..Iπ-helixtrans-58.3-43.8-171.8-178.260.9000112.8F268 F287 F288 E289 L296 I297F268-L293 HydrophobicContact CD2-CD1 4.46Å; F268-L293 HydrophobicContact CE1-CD1 4.49Å; F268-L293 HydrophobicContact CE2-CB 4.09Å; F268-L293 HydrophobicContact CE2-CD1 4.36Å; F268-L293 HydrophobicContact CZ-CB 4.14Å; F268-L293 HydrophobicContact CZ-CD1 4.37Å; F287-L293 WeakPolarHBondContact O-CB 3.41Å; F287-L293 PolarHBondContact O-N 2.91Å; F288-L293 HydrophobicContact CD1-CD2 4.1Å; E289-L293 PolarHBondContact O-N 3Å; L293-L296 PolarHBondContact O-N 3.18Å; L293-I297 HydrophobicContact CD1-CD1 3.92Å; L293-I297 HydrophobicContact CD1-CG1 4.25Å; L293-I297 HydrophobicContact CG-CD1 3.9Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.24Å; L293-I297 PolarHBondContact O-N 3.04Å
294A97.4Very high96.1Very high37 Ų3742.8 Ų42.831%0.30624%0.235SC..Iπ-helixtrans-67.4-48.7-177.900000111.8A186 G292 L296 I297 T298A186-A294 HydrophobicContact CB-CB 4.1Å; G292-A294 PolarHBondContact O-N 3.04Å; A294-L296 VanDerWaalsContact C-N 3.26Å; A294-L296 PolarHBondContact O-N 3.15Å; A294-I297 PolarHBondContact O-N 2.88Å; A294-T298 PolarHBondContact O-N 3.25Å; A294-T298 PolarHBondContact O-OG1 3.37Å
295D95.8Very high95.9Very high4 Ų438.8 Ų38.82%0.02121%0.214CC..Hα-helixtrans-64.4-34.6178.8-159.25.6000110.9K136 G185 A186 K240 S290 G292 T299K136-D295 IonicContact NZ-OD1 2.61Å; K136-D295 PolarHBondContact NZ-OD1 3.09Å; K136-D295 IonicContact NZ-OD2 3.6Å; K136-D295 PolarHBondContact NZ-OD2 3.17Å; G185-D295 VanDerWaalsContact C-CG 3.42Å; A186-D295 HydrophobicContact CB-CB 4.41Å; K240-D295 HydrophobicContact CD-CB 3.85Å; K240-D295 VanDerWaalsContact CD-OD2 3.26Å; K240-D295 WeakPolarHBondContact CD-OD2 3.36Å; K240-D295 WeakPolarHBondContact CE-OD2 3.22Å; K240-D295 IonicContact NZ-OD1 3.46Å; K240-D295 PolarHBondContact NZ-OD1 3.45Å; K240-D295 IonicContact NZ-OD2 3.72Å; K240-D295 PolarHBondContact NZ-OD2 3.36Å; S290-D295 VanDerWaalsContact O-CB 3.32Å; S290-D295 WeakPolarHBondContact O-CB 3.08Å; S290-D295 PolarHBondContact O-N 3.04Å; G292-D295 PolarHBondContact O-N 3.35Å; D295-T299 VanDerWaalsContact O-CB 3.26Å; D295-T299 WeakPolarHBondContact O-CB 3.46Å; D295-T299 PolarHBondContact O-N 3.06Å; D295-T299 PolarHBondContact O-OG1 2.86Å; D295-T299 PolarHBondContact OD1-OG1 3.15Å
296L97.6Very high95.8Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-59-54.8171.7175.662.7000111.8K240 V243 I264 F268 M271 G292 L293 A294 T298 T299 C300K240-L296 HydrophobicContact CB-CB 4.32Å; K240-L296 HydrophobicContact CB-CD1 3.96Å; V243-L296 HydrophobicContact CB-CD1 3.64Å; V243-L296 HydrophobicContact CG1-CD1 3.71Å; V243-L296 HydrophobicContact CG2-CD1 4.24Å; I264-L296 HydrophobicContact CG2-CD2 4.08Å; I264-L296 HydrophobicContact CG2-CG 4.27Å; F268-L296 HydrophobicContact CB-CD2 3.7Å; F268-L296 HydrophobicContact CD2-CD2 3.75Å; F268-L296 HydrophobicContact CG-CD2 4.11Å; M271-L296 HydrophobicContact SD-CD1 4.1Å; M271-L296 HydrophobicContact SD-CD2 4.02Å; G292-L296 VanDerWaalsContact O-CB 3.3Å; G292-L296 WeakPolarHBondContact O-CB 3.33Å; G292-L296 PolarHBondContact O-N 2.83Å; L293-L296 PolarHBondContact O-N 3.18Å; A294-L296 VanDerWaalsContact C-N 3.26Å; A294-L296 PolarHBondContact O-N 3.15Å; L296-T298 PolarHBondContact O-N 2.75Å; L296-T299 PolarHBondContact O-N 3.33Å; L296-C300 WeakPolarHBondContact O-CB 3.4Å; L296-C300 PolarHBondContact O-N 3.24Å; L296-C300 PolarHBondContact O-SG 3.21Å; L296-C300 VanDerWaalsContact O-SG 3.35Å
297I97.4Very high95.8Very high74 Ų7440.8 Ų40.838%0.37921%0.214SC..Hα-helixtrans-56.6-54.8-179.6-69.6165.9000110.1L293 A294 T299 C300 Y301L293-I297 HydrophobicContact CD1-CD1 3.92Å; L293-I297 HydrophobicContact CD1-CG1 4.25Å; L293-I297 HydrophobicContact CG-CD1 3.9Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.24Å; L293-I297 PolarHBondContact O-N 3.04Å; A294-I297 PolarHBondContact O-N 2.88Å; I297-T299 PolarHBondContact O-N 3.17Å; I297-C300 PolarHBondContact O-N 3.43Å; I297-C300 VanDerWaalsContact O-N 3.09Å; I297-Y301 HydrophobicContact CG2-CD2 4.12Å; I297-Y301 HydrophobicContact CG2-CE2 4.35Å; I297-Y301 WeakPolarHBondContact O-CD2 3.26Å; I297-Y301 PolarHBondContact O-N 2.98Å; I297-Y301 VanDerWaalsContact O-N 3.16Å
298T94.2Very high95.7Very high59 Ų5940.8 Ų40.836%0.36221%0.214SC..Hα-helixtrans-57.2-38.9-178.7-63.80000111.7A294 L296 Y301 G302A294-T298 PolarHBondContact O-N 3.25Å; A294-T298 PolarHBondContact O-OG1 3.37Å; L296-T298 PolarHBondContact O-N 2.75Å; T298-Y301 PolarHBondContact O-N 3.29Å; T298-G302 PolarHBondContact O-N 2.95Å
299T94.1Very high95.7Very high9 Ų935 Ų356%0.05519%0.188CC..Hα-helixtrans-70.8-38.6178.9-50.80000112.4K240 A244 D295 L296 I297 Y301 G303K240-T299 PolarHBondContact NZ-OG1 2.94Å; A244-T299 HydrophobicContact CB-CG2 3.47Å; A244-T299 VanDerWaalsContact CB-CG2 3.47Å; D295-T299 VanDerWaalsContact O-CB 3.26Å; D295-T299 WeakPolarHBondContact O-CB 3.46Å; D295-T299 PolarHBondContact O-N 3.06Å; D295-T299 PolarHBondContact O-OG1 2.86Å; D295-T299 PolarHBondContact OD1-OG1 3.15Å; L296-T299 PolarHBondContact O-N 3.33Å; I297-T299 PolarHBondContact O-N 3.17Å; T299-Y301 VanDerWaalsContact C-N 3.27Å; T299-Y301 PolarHBondContact O-N 2.81Å; T299-G303 VanDerWaalsContact O-CA 3.31Å; T299-G303 WeakPolarHBondContact O-CA 3.36Å; T299-G303 PolarHBondContact O-N 3.37Å
300C97.4Very high95.7Very high0 Ų034.8 Ų34.80%019%0.188CC..Hα-helixtrans-71.2-16.7179.1-72.20000114.1A247 K260 I264 L296 I297 R306A247-C300 HydrophobicContact CB-CB 3.82Å; K260-C300 WeakPolarHBondContact CE-O 3.4Å; K260-C300 PolarHBondContact NZ-O 3.47Å; I264-C300 HydrophobicContact CD1-CB 3.7Å; I264-C300 HydrophobicContact CG1-CB 3.95Å; L296-C300 WeakPolarHBondContact O-CB 3.4Å; L296-C300 PolarHBondContact O-N 3.24Å; L296-C300 PolarHBondContact O-SG 3.21Å; L296-C300 VanDerWaalsContact O-SG 3.35Å; I297-C300 PolarHBondContact O-N 3.43Å; I297-C300 VanDerWaalsContact O-N 3.09Å; C300-R306 WeakPolarHBondContact O-CD 3.4Å; C300-R306 VanDerWaalsContact O-CG 3.32Å; C300-R306 WeakPolarHBondContact O-CG 3.35Å
301Y95.7Very high95.7Very high122 Ų12235.4 Ų35.448%0.47819%0.193SC..Hα-helixtrans-107.2-36.9175.9-75.2-86.4000113.7K260 I264 I297 T298 T299 R306K260-Y301 HydrophobicContact CD-CE1 4.29Å; I264-Y301 HydrophobicContact CD1-CE2 3.9Å; I297-Y301 HydrophobicContact CG2-CD2 4.12Å; I297-Y301 HydrophobicContact CG2-CE2 4.35Å; I297-Y301 WeakPolarHBondContact O-CD2 3.26Å; I297-Y301 PolarHBondContact O-N 2.98Å; I297-Y301 VanDerWaalsContact O-N 3.16Å; T298-Y301 PolarHBondContact O-N 3.29Å; T299-Y301 VanDerWaalsContact C-N 3.27Å; T299-Y301 PolarHBondContact O-N 2.81Å; Y301-R306 VanDerWaalsContact O-CD 3.24Å; Y301-R306 WeakPolarHBondContact O-CD 3.38Å; Y301-R306 PolarHBondContact O-NE 2.61Å
302G88.7Confident95.8Very high66 Ų6636.7 Ų36.768%0.6820%0.199SC*.Hα-helixtrans-119.6-6.3-17400000115.9T298T298-G302 PolarHBondContact O-N 2.95Å
303G87.4Confident95.8Very high15 Ų1537.5 Ų37.516%0.15521%0.206CC..  trans-74.5154.1-170.300000115.1T299 N305 R306 K307T299-G303 VanDerWaalsContact O-CA 3.31Å; T299-G303 WeakPolarHBondContact O-CA 3.36Å; T299-G303 PolarHBondContact O-N 3.37Å; G303-N305 VanDerWaalsContact C-N 3.28Å; G303-N305 PolarHBondContact O-N 3.22Å; G303-R306 WeakPolarHBondContact O-CB 3.45Å; G303-R306 PolarHBondContact O-N 3.39Å; G303-K307 PolarHBondContact O-N 3.35Å
304R91Very high95.8Very high103 Ų10341 Ų4139%0.38922%0.219SC..Hα-helixtrans-57.1-39.6172-68.7168.9-67.6-175.31112.5K307 V308 L327 L332R304-K307 PolarHBondContact O-N 3.44Å; R304-V308 WeakPolarHBondContact O-CG2 3.41Å; R304-V308 PolarHBondContact O-N 3.28Å; R304-L327 HydrophobicContact CB-CD2 3.95Å; R304-L327 HydrophobicContact CG-CD2 3.83Å; R304-L332 HydrophobicContact CB-CD1 4.41Å
305N94.4Very high95.9Very high5 Ų543.1 Ų43.13%0.02723%0.228CC..Hα-helixtrans-55.2-54175.4-66.4-56000110.6N241 A244 G303 K307 V308 T309 L332 Q333 G334N241-N305 WeakPolarHBondContact CB-ND2 3.4Å; N241-N305 VanDerWaalsContact CG-ND2 3.25Å; N241-N305 PolarHBondContact OD1-ND2 3.37Å; A244-N305 HydrophobicContact CB-CB 3.96Å; G303-N305 VanDerWaalsContact C-N 3.28Å; G303-N305 PolarHBondContact O-N 3.22Å; N305-K307 PolarHBondContact O-N 3.41Å; N305-V308 PolarHBondContact O-N 3.34Å; N305-T309 PolarHBondContact O-N 3.19Å; N305-T309 PolarHBondContact O-OG1 3.38Å; N305-L332 HydrophobicContact CB-CD1 4.46Å; N305-L332 VanDerWaalsContact OD1-CD1 3.31Å; N305-L332 WeakPolarHBondContact OD1-CD1 3.45Å; N305-L332 WeakPolarHBondContact OD1-CG 3.36Å; N305-Q333 PolarHBondContact OD1-N 3.14Å; N305-G334 WeakPolarHBondContact OD1-CA 3.4Å; N305-G334 PolarHBondContact OD1-N 2.95Å
306R97.2Very high95.9Very high38 Ų3846.1 Ų46.114%0.14326%0.26CS..Hα-helixtrans-55-53.5175.1-172.9-145.87468.44.8112A244 G248 D251 C300 Y301 G303 V308 T309 E310A244-R306 WeakPolarHBondContact O-CA 3.3Å; G248-R306 WeakPolarHBondContact CA-O 2.98Å; D251-R306 WeakPolarHBondContact OD2-CD 3.46Å; D251-R306 WeakPolarHBondContact OD2-CG 3.22Å; D251-R306 IonicContact OD2-CZ 3.58Å; D251-R306 IonicContact OD2-NE 2.65Å; D251-R306 IonicContact OD2-NH1 2.68Å; D251-R306 PolarHBondContact OD2-NH1 2.98Å; C300-R306 WeakPolarHBondContact O-CD 3.4Å; C300-R306 VanDerWaalsContact O-CG 3.32Å; C300-R306 WeakPolarHBondContact O-CG 3.35Å; Y301-R306 VanDerWaalsContact O-CD 3.24Å; Y301-R306 WeakPolarHBondContact O-CD 3.38Å; Y301-R306 PolarHBondContact O-NE 2.61Å; G303-R306 WeakPolarHBondContact O-CB 3.45Å; G303-R306 PolarHBondContact O-N 3.39Å; R306-V308 PolarHBondContact O-N 3.06Å; R306-T309 PolarHBondContact O-N 3.01Å; R306-T309 PolarHBondContact O-OG1 3.41Å; R306-E310 IonicContact CZ-OE2 3.74Å; R306-E310 VanDerWaalsContact CZ-OE2 3.26Å; R306-E310 IonicContact NH1-OE2 3.82Å; R306-E310 PolarHBondContact NH1-OE2 2.85Å; R306-E310 IonicContact NH2-OE2 2.99Å; R306-E310 PolarHBondContact NH2-OE2 3.37Å; R306-E310 WeakPolarHBondContact O-CB 3.23Å; R306-E310 PolarHBondContact O-N 3.24Å
307K96.7Very high95.8Very high97 Ų9749.8 Ų49.842%0.42228%0.276SS..Hα-helixtrans-55.3-48.7-178.3-177.7-174.6177.7-170.10112.4G303 R304 N305 A311G303-K307 PolarHBondContact O-N 3.35Å; R304-K307 PolarHBondContact O-N 3.44Å; N305-K307 PolarHBondContact O-N 3.41Å; K307-A311 PolarHBondContact O-N 3.16Å
308V97.8Very high95.8Very high0 Ų048.7 Ų48.70%027%0.274CS..Hα-helixtrans-69.5-42.1-178173.30000111R304 N305 R306 E310 A311 F312 I319 L322 L326 L327 L332R304-V308 WeakPolarHBondContact O-CG2 3.41Å; R304-V308 PolarHBondContact O-N 3.28Å; N305-V308 PolarHBondContact O-N 3.34Å; R306-V308 PolarHBondContact O-N 3.06Å; V308-E310 VanDerWaalsContact C-N 3.32Å; V308-E310 PolarHBondContact O-N 3.42Å; V308-A311 PolarHBondContact O-N 3.37Å; V308-F312 WeakPolarHBondContact O-CB 3.06Å; V308-F312 PolarHBondContact O-N 3.41Å; V308-I319 HydrophobicContact CG1-CD1 4.43Å; V308-L322 HydrophobicContact CG1-CB 3.79Å; V308-L326 HydrophobicContact CG2-CB 4.46Å; V308-L326 HydrophobicContact CG2-CD1 4.37Å; V308-L327 HydrophobicContact CG2-CD1 3.88Å; V308-L327 HydrophobicContact CG2-CD2 3.98Å; V308-L327 HydrophobicContact CG2-CG 3.91Å; V308-L332 HydrophobicContact CB-CD1 3.94Å; V308-L332 HydrophobicContact CB-CD2 3.99Å; V308-L332 HydrophobicContact CG1-CD1 4.49Å; V308-L332 HydrophobicContact CG1-CD2 3.71Å; V308-L332 HydrophobicContact CG2-CD1 3.89Å
309T98.2Very high95.8Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-73.3-23.5179.851.70000114.2C245 G248 M249 N305 R306 F312 A313 I319C245-T309 WeakPolarHBondContact CA-OG1 3.25Å; C245-T309 HydrophobicContact CB-CG2 3.67Å; C245-T309 WeakPolarHBondContact O-CB 3.42Å; C245-T309 PolarHBondContact O-OG1 3.4Å; C245-T309 VanDerWaalsContact SG-CG2 3.55Å; G248-T309 WeakPolarHBondContact CA-OG1 3.47Å; M249-T309 HydrophobicContact CE-CG2 4.31Å; N305-T309 PolarHBondContact O-N 3.19Å; N305-T309 PolarHBondContact O-OG1 3.38Å; R306-T309 PolarHBondContact O-N 3.01Å; R306-T309 PolarHBondContact O-OG1 3.41Å; T309-F312 WeakPolarHBondContact O-CB 3.37Å; T309-A313 WeakPolarHBondContact O-CB 3.49Å; T309-A313 PolarHBondContact O-N 3.36Å; T309-I319 HydrophobicContact CG2-CD1 4.25Å
310E98.6Very high95.7Very high42 Ų4249.3 Ų49.320%0.19628%0.284CS..Hα-helixtrans-63.8-49.1166.9-179.9-167.4175.100110.6G248 D251 R306 V308 F312 A313 K314G248-E310 WeakPolarHBondContact O-CA 3.2Å; G248-E310 WeakPolarHBondContact O-CB 2.88Å; G248-E310 PolarHBondContact O-N 2.89Å; D251-E310 HydrophobicContact CB-CB 4.31Å; D251-E310 HydrophobicContact CB-CG 3.89Å; R306-E310 IonicContact CZ-OE2 3.74Å; R306-E310 VanDerWaalsContact CZ-OE2 3.26Å; R306-E310 IonicContact NH1-OE2 3.82Å; R306-E310 PolarHBondContact NH1-OE2 2.85Å; R306-E310 IonicContact NH2-OE2 2.99Å; R306-E310 PolarHBondContact NH2-OE2 3.37Å; R306-E310 WeakPolarHBondContact O-CB 3.23Å; R306-E310 PolarHBondContact O-N 3.24Å; V308-E310 VanDerWaalsContact C-N 3.32Å; V308-E310 PolarHBondContact O-N 3.42Å; E310-F312 VanDerWaalsContact C-N 3.3Å; E310-F312 PolarHBondContact O-N 3.08Å; E310-A313 PolarHBondContact O-N 2.66Å; E310-K314 HydrophobicContact CG-CD 4.18Å; E310-K314 WeakPolarHBondContact O-CG 3.39Å; E310-K314 PolarHBondContact O-N 3.46Å; E310-K314 IonicContact OE1-NZ 2.66Å; E310-K314 PolarHBondContact OE1-NZ 3.19Å
311A98.4Very high95.6Very high20 Ų2054 Ų5417%0.16531%0.306CS..Hα-helixtrans-63.1-38.3176.800000111.9K307 V308 K314 T315 L322 L326K307-A311 PolarHBondContact O-N 3.16Å; V308-A311 PolarHBondContact O-N 3.37Å; A311-K314 PolarHBondContact O-N 3.09Å; A311-T315 WeakPolarHBondContact O-CB 3.41Å; A311-T315 WeakPolarHBondContact O-CG2 3.45Å; A311-T315 PolarHBondContact O-N 3.34Å; A311-T315 PolarHBondContact O-OG1 3.49Å; A311-L322 HydrophobicContact CB-CD1 4.07Å; A311-L322 HydrophobicContact CB-CD2 3.88Å; A311-L326 HydrophobicContact CB-CD1 3.74Å
312F98.4Very high95.7Very high27 Ų2748.5 Ų48.512%0.11829%0.285CS..Hα-helixtrans-56.5-52.8173.8170.5-94.8000111.1V308 T309 E310 K314 T315 G316 K317 I319 L322 I363 V370V308-F312 WeakPolarHBondContact O-CB 3.06Å; V308-F312 PolarHBondContact O-N 3.41Å; T309-F312 WeakPolarHBondContact O-CB 3.37Å; E310-F312 VanDerWaalsContact C-N 3.3Å; E310-F312 PolarHBondContact O-N 3.08Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 3.14Å; F312-T315 PolarHBondContact O-N 2.94Å; F312-G316 WeakPolarHBondContact O-CA 3.35Å; F312-G316 PolarHBondContact O-N 3Å; F312-K317 WeakPolarHBondContact CD2-O 3.27Å; F312-I319 HydrophobicContact CB-CD1 3.92Å; F312-I319 HydrophobicContact CD2-CD1 3.62Å; F312-I319 HydrophobicContact CD2-CG1 4.02Å; F312-I319 HydrophobicContact CE2-CD1 4.31Å; F312-I319 HydrophobicContact CE2-CG1 4.32Å; F312-I319 HydrophobicContact CG-CD1 3.78Å; F312-L322 HydrophobicContact CB-CD1 3.71Å; F312-I363 HydrophobicContact CE1-CG2 3.63Å; F312-I363 HydrophobicContact CZ-CG2 4.17Å; F312-V370 HydrophobicContact CD1-CG2 4.45Å; F312-V370 HydrophobicContact CE1-CB 4.12Å; F312-V370 HydrophobicContact CE1-CG2 4.2Å
313A98.3Very high95.9Very high17 Ų1746 Ų4614%0.1426%0.255CS..Hα-helixtrans-64.7-33179.900000113.1L253 T309 E310 V370L253-A313 HydrophobicContact CG-CB 4.48Å; T309-A313 WeakPolarHBondContact O-CB 3.49Å; T309-A313 PolarHBondContact O-N 3.36Å; E310-A313 PolarHBondContact O-N 2.66Å; A313-V370 HydrophobicContact CB-CG2 3.76Å
314K98.2Very high96.1Very high127 Ų12753.7 Ų53.755%0.55229%0.285SS*.Hα-helixtrans-76.4-34.4178.4-75.3176.7172.4175.30114.2G252 E310 A311 F312G252-K314 WeakPolarHBondContact O-CG 3.31Å; E310-K314 HydrophobicContact CG-CD 4.18Å; E310-K314 WeakPolarHBondContact O-CG 3.39Å; E310-K314 PolarHBondContact O-N 3.46Å; E310-K314 IonicContact OE1-NZ 2.66Å; E310-K314 PolarHBondContact OE1-NZ 3.19Å; A311-K314 PolarHBondContact O-N 3.09Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 3.14Å
315T97.6Very high96.3Very high81 Ų8153.7 Ų53.750%0.49729%0.289SS..Hα-helixtrans-111.4-22.2-166.664.70000113.9A311 F312 K317A311-T315 WeakPolarHBondContact O-CB 3.41Å; A311-T315 WeakPolarHBondContact O-CG2 3.45Å; A311-T315 PolarHBondContact O-N 3.34Å; A311-T315 PolarHBondContact O-OG1 3.49Å; F312-T315 PolarHBondContact O-N 2.94Å; T315-K317 PolarHBondContact O-N 2.88Å; T315-K317 PolarHBondContact OG1-N 2.93Å
316G95.9Very high96.3Very high67 Ų6755.9 Ų55.969%0.69130%0.3SS*.  trans70.71.9-171.800000114.7F312F312-G316 WeakPolarHBondContact O-CA 3.35Å; F312-G316 PolarHBondContact O-N 3Å
317K97Very high95.7Very high77 Ų7754.5 Ų54.534%0.33530%0.296SS..  trans-62.3153.9171.9-69.2-173.1-179.5-172.50110.6F312 T315 L322 E325F312-K317 WeakPolarHBondContact CD2-O 3.27Å; T315-K317 PolarHBondContact O-N 2.88Å; T315-K317 PolarHBondContact OG1-N 2.93Å; K317-L322 HydrophobicContact CB-CD1 4.15Å; K317-L322 HydrophobicContact CB-CD2 4.18Å; K317-L322 HydrophobicContact CB-CG 3.92Å; K317-L322 HydrophobicContact CD-CD2 3.99Å; K317-E325 IonicContact NZ-OE1 2.71Å; K317-E325 PolarHBondContact NZ-OE1 3.34Å; K317-E325 IonicContact NZ-OE2 2.73Å; K317-E325 PolarHBondContact NZ-OE2 2.85Å
318S96Very high95Very high50 Ų5057 Ų5735%0.3531%0.314SS..  trans-68155.417669.40000112.2A320 E321 L322S318-A320 PolarHBondContact O-N 3.38Å; S318-E321 WeakPolarHBondContact CB-OE2 3.36Å; S318-E321 PolarHBondContact N-OE2 3.5Å; S318-E321 PolarHBondContact O-N 3.27Å; S318-E321 VanDerWaalsContact OG-CD 3.26Å; S318-E321 WeakPolarHBondContact OG-CG 3.44Å; S318-E321 PolarHBondContact OG-N 3.38Å; S318-E321 PolarHBondContact OG-OE2 3.04Å; S318-L322 PolarHBondContact O-N 3Å; S318-L322 VanDerWaalsContact O-N 3.12Å
319I94.8Very high93.9Very high16 Ų1660.5 Ų60.58%0.08235%0.349CS..Hα-helixtrans-57.4-37.6173.9-64-62.3000111.3V308 T309 F312 L322 E323 L332 P335 C364V308-I319 HydrophobicContact CG1-CD1 4.43Å; T309-I319 HydrophobicContact CG2-CD1 4.25Å; F312-I319 HydrophobicContact CB-CD1 3.92Å; F312-I319 HydrophobicContact CD2-CD1 3.62Å; F312-I319 HydrophobicContact CD2-CG1 4.02Å; F312-I319 HydrophobicContact CE2-CD1 4.31Å; F312-I319 HydrophobicContact CE2-CG1 4.32Å; F312-I319 HydrophobicContact CG-CD1 3.78Å; I319-L322 PolarHBondContact O-N 3.47Å; I319-E323 WeakPolarHBondContact O-CB 3.46Å; I319-E323 PolarHBondContact O-N 3.22Å; I319-L332 HydrophobicContact CG2-CD2 3.7Å; I319-P335 HydrophobicContact CG1-CG 4.49Å; I319-P335 HydrophobicContact CG2-CB 4.41Å; I319-P335 HydrophobicContact CG2-CG 4Å; I319-C364 HydrophobicContact CG1-CB 4.35Å
320A92.9Very high92.8Very high66 Ų6665.2 Ų65.255%0.54537%0.372SS..Hα-helixtrans-66.2-41-179.500000112.5S318 K324S318-A320 PolarHBondContact O-N 3.38Å; A320-K324 PolarHBondContact O-N 3.45Å
321E95.4Very high91.8Very high99 Ų9968.1 Ų68.146%0.46338%0.384SS..Hα-helixtrans-64.1-48.2175.3-72.2163.8134.300110.9S318 E323 K324 E325S318-E321 WeakPolarHBondContact CB-OE2 3.36Å; S318-E321 PolarHBondContact N-OE2 3.5Å; S318-E321 PolarHBondContact O-N 3.27Å; S318-E321 VanDerWaalsContact OG-CD 3.26Å; S318-E321 WeakPolarHBondContact OG-CG 3.44Å; S318-E321 PolarHBondContact OG-N 3.38Å; S318-E321 PolarHBondContact OG-OE2 3.04Å; E321-E323 VanDerWaalsContact C-N 3.35Å; E321-E323 PolarHBondContact O-N 2.87Å; E321-K324 PolarHBondContact O-N 3Å; E321-K324 VanDerWaalsContact O-N 3.17Å; E321-E325 WeakPolarHBondContact O-CG 3.4Å; E321-E325 PolarHBondContact O-N 3.16Å
322L96.6Very high91.3Very high5 Ų567.3 Ų67.33%0.02638%0.376CS..Hα-helixtrans-68.3-32.3-178.7-67.9169.4000113V308 A311 F312 K317 S318 I319 K324 E325 L326V308-L322 HydrophobicContact CG1-CB 3.79Å; A311-L322 HydrophobicContact CB-CD1 4.07Å; A311-L322 HydrophobicContact CB-CD2 3.88Å; F312-L322 HydrophobicContact CB-CD1 3.71Å; K317-L322 HydrophobicContact CB-CD1 4.15Å; K317-L322 HydrophobicContact CB-CD2 4.18Å; K317-L322 HydrophobicContact CB-CG 3.92Å; K317-L322 HydrophobicContact CD-CD2 3.99Å; S318-L322 PolarHBondContact O-N 3Å; S318-L322 VanDerWaalsContact O-N 3.12Å; I319-L322 PolarHBondContact O-N 3.47Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-E325 PolarHBondContact O-N 3.09Å; L322-L326 HydrophobicContact CB-CD1 4.31Å; L322-L326 HydrophobicContact CD2-CD1 4.11Å; L322-L326 WeakPolarHBondContact O-CB 3.47Å; L322-L326 WeakPolarHBondContact O-CG 3.48Å; L322-L326 PolarHBondContact O-N 2.96Å
323E92.4Very high90.7Very high13 Ų1366.7 Ų66.76%0.06137%0.374CS..Hα-helixtrans-59.6-46.3171177.8178.4101.700110.7I319 E321 L327 K331 L332I319-E323 WeakPolarHBondContact O-CB 3.46Å; I319-E323 PolarHBondContact O-N 3.22Å; E321-E323 VanDerWaalsContact C-N 3.35Å; E321-E323 PolarHBondContact O-N 2.87Å; E323-L327 HydrophobicContact CG-CD1 4.13Å; E323-L327 VanDerWaalsContact O-CB 3.3Å; E323-L327 WeakPolarHBondContact O-CB 2.96Å; E323-L327 PolarHBondContact O-N 2.77Å; E323-K331 WeakPolarHBondContact OE1-CD 3.36Å; E323-K331 WeakPolarHBondContact OE1-CE 3.4Å; E323-K331 IonicContact OE1-NZ 2.56Å; E323-K331 PolarHBondContact OE1-NZ 3.37Å; E323-L332 WeakPolarHBondContact OE2-CB 3.31Å; E323-L332 PolarHBondContact OE2-N 2.84Å
324K92.6Very high90.4Very high178 Ų17865.9 Ų65.977%0.77437%0.367SS*.Hα-helixtrans-66.7-39.7178.5-171.6-179.9178.2-175.70112.2A320 E321 L322A320-K324 PolarHBondContact O-N 3.45Å; E321-K324 PolarHBondContact O-N 3Å; E321-K324 VanDerWaalsContact O-N 3.17Å; L322-K324 VanDerWaalsContact C-N 3.34Å
325E95Very high90.2Very high103 Ų10360.5 Ų60.548%0.48135%0.345SS..Hα-helixtrans-74.8-36.2-177.8-72.5179.5-175.200113.5K317 E321 L322K317-E325 IonicContact NZ-OE1 2.71Å; K317-E325 PolarHBondContact NZ-OE1 3.34Å; K317-E325 IonicContact NZ-OE2 2.73Å; K317-E325 PolarHBondContact NZ-OE2 2.85Å; E321-E325 WeakPolarHBondContact O-CG 3.4Å; E321-E325 PolarHBondContact O-N 3.16Å; L322-E325 PolarHBondContact O-N 3.09Å
326L93.9Very high89.7Confident50 Ų5061 Ų6126%0.26234%0.338SS..Hα-helixtrans-109.8-13-165.6-59.3178.8000115.2V308 A311 L322V308-L326 HydrophobicContact CG2-CB 4.46Å; V308-L326 HydrophobicContact CG2-CD1 4.37Å; A311-L326 HydrophobicContact CB-CD1 3.74Å; L322-L326 HydrophobicContact CB-CD1 4.31Å; L322-L326 HydrophobicContact CD2-CD1 4.11Å; L322-L326 WeakPolarHBondContact O-CB 3.47Å; L322-L326 WeakPolarHBondContact O-CG 3.48Å; L322-L326 PolarHBondContact O-N 2.96Å
327L86.2Confident89.4Confident9 Ų957.8 Ų57.85%0.04731%0.305CS..SBendtrans-119.35.5-168.9-59.3-173.5000115.4R304 V308 E323 G329 Q330 L332R304-L327 HydrophobicContact CB-CD2 3.95Å; R304-L327 HydrophobicContact CG-CD2 3.83Å; V308-L327 HydrophobicContact CG2-CD1 3.88Å; V308-L327 HydrophobicContact CG2-CD2 3.98Å; V308-L327 HydrophobicContact CG2-CG 3.91Å; E323-L327 HydrophobicContact CG-CD1 4.13Å; E323-L327 VanDerWaalsContact O-CB 3.3Å; E323-L327 WeakPolarHBondContact O-CB 2.96Å; E323-L327 PolarHBondContact O-N 2.77Å; L327-G329 VanDerWaalsContact C-N 3.25Å; L327-G329 PolarHBondContact O-N 3.38Å; L327-G329 VanDerWaalsContact O-N 3.11Å; L327-Q330 HydrophobicContact CB-CB 4.18Å; L327-Q330 VanDerWaalsContact CB-O 3.28Å; L327-Q330 WeakPolarHBondContact CB-O 3.17Å; L327-Q330 VanDerWaalsContact O-CB 3.24Å; L327-Q330 WeakPolarHBondContact O-CB 3.32Å; L327-Q330 WeakPolarHBondContact O-CG 3.31Å; L327-Q330 PolarHBondContact O-N 3.17Å; L327-L332 HydrophobicContact CD1-CB 4.2Å; L327-L332 HydrophobicContact CD1-CD1 3.93Å
328D81.4Confident89.2Confident151 Ų15154.1 Ų54.181%0.80729%0.289SS*.THydrogen-bonded Turntrans47.444.6172.6-61.5-43.7000113.9Q330D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 2.97Å
329G74.9Confident89Confident72 Ų7256 Ų5674%0.74229%0.293SS*.THydrogen-bonded Turntrans85.9-4.8-179.200000115.4L327L327-G329 VanDerWaalsContact C-N 3.25Å; L327-G329 PolarHBondContact O-N 3.38Å; L327-G329 VanDerWaalsContact O-N 3.11Å
330Q75.4Confident88.5Confident100 Ų10056.7 Ų56.747%0.46730%0.296SS..PPolyproline II helixtrans-75143.1169.5-54.6177.928.100110.7L327 D328L327-Q330 HydrophobicContact CB-CB 4.18Å; L327-Q330 VanDerWaalsContact CB-O 3.28Å; L327-Q330 WeakPolarHBondContact CB-O 3.17Å; L327-Q330 VanDerWaalsContact O-CB 3.24Å; L327-Q330 WeakPolarHBondContact O-CB 3.32Å; L327-Q330 WeakPolarHBondContact O-CG 3.31Å; L327-Q330 PolarHBondContact O-N 3.17Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 2.97Å
331K77.5Confident88.4Confident103 Ų10353.6 Ų53.645%0.44827%0.27SS..PPolyproline II helixtrans-91136.7-179.8-66.5-70.1172.5-175.40112.5R138 E323R138-K331 PolarHBondContact NH2-O 3.35Å; E323-K331 WeakPolarHBondContact OE1-CD 3.36Å; E323-K331 WeakPolarHBondContact OE1-CE 3.4Å; E323-K331 IonicContact OE1-NZ 2.56Å; E323-K331 PolarHBondContact OE1-NZ 3.37Å
332L87.1Confident88.2Confident2 Ų248.9 Ų48.91%0.0125%0.248CC..PPolyproline II helixtrans-72.8145.1169.5-158.168000109.6R304 N305 V308 I319 E323 L327 P335 Y336R304-L332 HydrophobicContact CB-CD1 4.41Å; N305-L332 HydrophobicContact CB-CD1 4.46Å; N305-L332 VanDerWaalsContact OD1-CD1 3.31Å; N305-L332 WeakPolarHBondContact OD1-CD1 3.45Å; N305-L332 WeakPolarHBondContact OD1-CG 3.36Å; V308-L332 HydrophobicContact CB-CD1 3.94Å; V308-L332 HydrophobicContact CB-CD2 3.99Å; V308-L332 HydrophobicContact CG1-CD1 4.49Å; V308-L332 HydrophobicContact CG1-CD2 3.71Å; V308-L332 HydrophobicContact CG2-CD1 3.89Å; I319-L332 HydrophobicContact CG2-CD2 3.7Å; E323-L332 WeakPolarHBondContact OE2-CB 3.31Å; E323-L332 PolarHBondContact OE2-N 2.84Å; L327-L332 HydrophobicContact CD1-CB 4.2Å; L327-L332 HydrophobicContact CD1-CD1 3.93Å; L332-P335 HydrophobicContact CD2-CG 3.66Å; L332-P335 HydrophobicContact CG-CG 4.42Å; L332-Y336 WeakPolarHBondContact O-CD2 3.43Å; L332-Y336 WeakPolarHBondContact O-CE2 3.33Å
333Q86.1Confident87.8Confident14 Ų1452.1 Ų52.17%0.06527%0.265CS..  trans-110.1-38-176.3-61.7178.4-6500112.2K136 R138 N305 Y336 T337K136-Q333 PolarHBondContact O-NE2 2.95Å; R138-Q333 HydrophobicContact CG-CB 4.25Å; R138-Q333 HydrophobicContact CG-CG 3.68Å; R138-Q333 VanDerWaalsContact NE-CG 3.34Å; N305-Q333 PolarHBondContact OD1-N 3.14Å; Q333-Y336 PolarHBondContact O-N 3.21Å; Q333-T337 PolarHBondContact O-N 3.37Å; Q333-T337 PolarHBondContact O-OG1 2.94Å
334G92.2Very high87.6Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-55.2-53.2-170.100000113.8N305 Y336 T337 A338N305-G334 WeakPolarHBondContact OD1-CA 3.4Å; N305-G334 PolarHBondContact OD1-N 2.95Å; G334-Y336 PolarHBondContact O-N 2.92Å; G334-T337 PolarHBondContact O-N 2.84Å; G334-A338 WeakPolarHBondContact O-CB 3.34Å; G334-A338 PolarHBondContact O-N 3.38Å
335P92.6Very high87.5Confident14 Ų1443.1 Ų43.19%0.09123%0.226CC..Hα-helixtrans-62.8-38.7-177.8-30.241.8000114.1I319 L332 A338 E339 C364I319-P335 HydrophobicContact CG1-CG 4.49Å; I319-P335 HydrophobicContact CG2-CB 4.41Å; I319-P335 HydrophobicContact CG2-CG 4Å; L332-P335 HydrophobicContact CD2-CG 3.66Å; L332-P335 HydrophobicContact CG-CG 4.42Å; P335-A338 WeakPolarHBondContact O-CB 3.37Å; P335-A338 PolarHBondContact O-N 2.83Å; P335-E339 PolarHBondContact O-N 2.72Å; P335-C364 HydrophobicContact CB-CB 4.03Å; P335-C364 HydrophobicContact CG-CB 4.42Å
336Y88Confident87.4Confident91 Ų9142 Ų4236%0.35722%0.221SC..Hα-helixtrans-69.5-38.6176-58.4-81.2000111.9G139 L332 Q333 G334 A338 E339 Q340G139-Y336 WeakPolarHBondContact O-CB 3.31Å; L332-Y336 WeakPolarHBondContact O-CD2 3.43Å; L332-Y336 WeakPolarHBondContact O-CE2 3.33Å; Q333-Y336 PolarHBondContact O-N 3.21Å; G334-Y336 PolarHBondContact O-N 2.92Å; Y336-A338 VanDerWaalsContact C-N 3.32Å; Y336-E339 PolarHBondContact O-N 3.15Å; Y336-Q340 WeakPolarHBondContact O-CG 3.12Å; Y336-Q340 PolarHBondContact O-N 3.47Å
337T89Confident87.1Confident0 Ų043.2 Ų43.20%024%0.238CC..Hα-helixtrans-63.1-40.5170.9-58.60000111.2G139 A238 V242 Q333 G334 E339 Q340 L341G139-T337 PolarHBondContact N-OG1 3.08Å; A238-T337 HydrophobicContact CB-CG2 4.36Å; V242-T337 HydrophobicContact CG2-CG2 3.75Å; Q333-T337 PolarHBondContact O-N 3.37Å; Q333-T337 PolarHBondContact O-OG1 2.94Å; G334-T337 PolarHBondContact O-N 2.84Å; T337-E339 PolarHBondContact O-N 3.25Å; T337-Q340 PolarHBondContact O-N 3.05Å; T337-L341 HydrophobicContact CG2-CD1 3.94Å; T337-L341 HydrophobicContact CG2-CG 4.27Å; T337-L341 VanDerWaalsContact O-CG 3.27Å; T337-L341 WeakPolarHBondContact O-CG 3.37Å; T337-L341 PolarHBondContact O-N 3.35Å
338A93.2Very high87.2Confident0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-63.5-41178.800000112V242 G334 P335 Y336 L341 C342 V360 H361V242-A338 HydrophobicContact CG1-CB 3.81Å; V242-A338 HydrophobicContact CG2-CB 4Å; G334-A338 WeakPolarHBondContact O-CB 3.34Å; G334-A338 PolarHBondContact O-N 3.38Å; P335-A338 WeakPolarHBondContact O-CB 3.37Å; P335-A338 PolarHBondContact O-N 2.83Å; Y336-A338 VanDerWaalsContact C-N 3.32Å; A338-L341 PolarHBondContact O-N 3.48Å; A338-C342 VanDerWaalsContact O-CB 3.23Å; A338-C342 WeakPolarHBondContact O-CB 3.28Å; A338-C342 PolarHBondContact O-N 2.83Å; A338-V360 HydrophobicContact CB-CB 4.4Å; A338-V360 HydrophobicContact CB-CG1 3.91Å; A338-H361 HydrophobicContact CB-CB 3.88Å
339E91.3Very high87.8Confident89 Ų8943.4 Ų43.442%0.41625%0.247SC..Hα-helixtrans-54.6-53.6174178.7176.7-144.600111.7P335 Y336 T337 L341 C342 D343 H361P335-E339 PolarHBondContact O-N 2.72Å; Y336-E339 PolarHBondContact O-N 3.15Å; T337-E339 PolarHBondContact O-N 3.25Å; E339-L341 PolarHBondContact O-N 3.31Å; E339-C342 WeakPolarHBondContact O-CB 3.46Å; E339-C342 PolarHBondContact O-N 3.46Å; E339-C342 VanDerWaalsContact O-N 3.16Å; E339-D343 PolarHBondContact O-N 2.88Å; E339-H361 WeakPolarHBondContact CA-ND1 3.48Å; E339-H361 WeakPolarHBondContact CB-ND1 3.09Å
340Q85.6Confident88.6Confident32 Ų3240.8 Ų40.815%0.1522%0.216CC..Hα-helixtrans-63.1-41.7179.7-62.2-150.6-37.700114.1T140 Y336 T337 C342 D343 M344T140-Q340 VanDerWaalsContact CA-NE2 3.27Å; T140-Q340 PolarHBondContact O-NE2 3.36Å; Y336-Q340 WeakPolarHBondContact O-CG 3.12Å; Y336-Q340 PolarHBondContact O-N 3.47Å; T337-Q340 PolarHBondContact O-N 3.05Å; Q340-C342 VanDerWaalsContact C-N 3.3Å; Q340-D343 PolarHBondContact O-N 3.16Å; Q340-M344 WeakPolarHBondContact O-CB 3.24Å; Q340-M344 PolarHBondContact O-N 2.95Å
341L89.3Confident89.5Confident0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-63.3-42.9176.9-68.9176.2000109.9I165 L239 V242 F274 T337 A338 E339 M344 I345 L357I165-L341 HydrophobicContact CD1-CD2 4.41Å; I165-L341 HydrophobicContact CG2-CD2 4.44Å; L239-L341 HydrophobicContact CD1-CD1 4.5Å; L239-L341 HydrophobicContact CG-CD1 3.97Å; V242-L341 HydrophobicContact CG2-CD1 4Å; F274-L341 HydrophobicContact CD1-CD2 4.33Å; F274-L341 HydrophobicContact CE1-CD2 3.53Å; F274-L341 HydrophobicContact CE2-CD2 4.12Å; F274-L341 HydrophobicContact CZ-CD2 3.43Å; F274-L341 VanDerWaalsContact CZ-CD2 3.43Å; T337-L341 HydrophobicContact CG2-CD1 3.94Å; T337-L341 HydrophobicContact CG2-CG 4.27Å; T337-L341 VanDerWaalsContact O-CG 3.27Å; T337-L341 WeakPolarHBondContact O-CG 3.37Å; T337-L341 PolarHBondContact O-N 3.35Å; A338-L341 PolarHBondContact O-N 3.48Å; E339-L341 PolarHBondContact O-N 3.31Å; L341-M344 HydrophobicContact CD2-CE 3.81Å; L341-M344 PolarHBondContact O-N 2.99Å; L341-I345 HydrophobicContact CB-CD1 4.23Å; L341-I345 WeakPolarHBondContact O-CB 3.37Å; L341-I345 VanDerWaalsContact O-CD1 3.29Å; L341-I345 WeakPolarHBondContact O-CD1 3.43Å; L341-I345 WeakPolarHBondContact O-CG1 3.32Å; L341-I345 PolarHBondContact O-N 3.36Å; L341-L357 HydrophobicContact CD1-CD1 4.37Å; L341-L357 HydrophobicContact CD1-CD2 4.05Å
342C91.9Very high90.2Very high0 Ų037.1 Ų37.10%022%0.219CC..Hα-helixtrans-60.1-49.4177.9-169.90000111.3A338 E339 Q340 M344 I345 E346 H361A338-C342 VanDerWaalsContact O-CB 3.23Å; A338-C342 WeakPolarHBondContact O-CB 3.28Å; A338-C342 PolarHBondContact O-N 2.83Å; E339-C342 WeakPolarHBondContact O-CB 3.46Å; E339-C342 PolarHBondContact O-N 3.46Å; E339-C342 VanDerWaalsContact O-N 3.16Å; Q340-C342 VanDerWaalsContact C-N 3.3Å; C342-M344 VanDerWaalsContact C-N 3.33Å; C342-M344 PolarHBondContact O-N 3.11Å; C342-I345 PolarHBondContact O-N 3.22Å; C342-E346 WeakPolarHBondContact O-CB 3.3Å; C342-E346 WeakPolarHBondContact O-CG 3.33Å; C342-E346 PolarHBondContact O-N 3.01Å; C342-H361 HydrophobicContact CB-CB 3.77Å; C342-H361 VanDerWaalsContact SG-CD2 3.55Å
343D88.6Confident90.5Very high73 Ų7340.3 Ų40.339%0.3923%0.234SC..Hα-helixtrans-56.9-47.1178.3-69.4-14.7000111.3E339 Q340 A347E339-D343 PolarHBondContact O-N 2.88Å; Q340-D343 PolarHBondContact O-N 3.16Å; D343-A347 WeakPolarHBondContact O-CB 3.22Å; D343-A347 PolarHBondContact O-N 2.8Å
344M87.4Confident91Very high2 Ų239.7 Ų39.71%0.0123%0.231CC..Hα-helixtrans-67.2-41.2179.3-178.7-177.79.100112.8D164 I165 F274 L278 Q340 L341 C342 R348D164-M344 HydrophobicContact CB-SD 4.47Å; I165-M344 HydrophobicContact CB-CE 3.88Å; I165-M344 HydrophobicContact CG2-CE 3.71Å; I165-M344 HydrophobicContact CG2-SD 4.4Å; F274-M344 HydrophobicContact CE1-CE 4.35Å; F274-M344 HydrophobicContact CE2-CE 4.35Å; F274-M344 HydrophobicContact CE2-SD 4.44Å; F274-M344 HydrophobicContact CZ-CE 3.5Å; F274-M344 HydrophobicContact CZ-SD 3.77Å; L278-M344 HydrophobicContact CD1-SD 4.37Å; L278-M344 HydrophobicContact CD2-SD 4.25Å; Q340-M344 WeakPolarHBondContact O-CB 3.24Å; Q340-M344 PolarHBondContact O-N 2.95Å; L341-M344 HydrophobicContact CD2-CE 3.81Å; L341-M344 PolarHBondContact O-N 2.99Å; C342-M344 VanDerWaalsContact C-N 3.33Å; C342-M344 PolarHBondContact O-N 3.11Å; M344-R348 WeakPolarHBondContact O-CB 3.34Å; M344-R348 WeakPolarHBondContact O-CD 3.32Å; M344-R348 VanDerWaalsContact O-CG 3.27Å; M344-R348 WeakPolarHBondContact O-CG 3.47Å; M344-R348 PolarHBondContact O-N 3.31Å
345I91.4Very high91.2Very high1 Ų140.5 Ų40.51%0.00524%0.237CC..Hα-helixtrans-65.1-45.9178.5-74.2163.2000109.9F274 L341 C342 R348 G349 L350 F354 L357 V358F274-I345 HydrophobicContact CD2-CD1 4.22Å; F274-I345 HydrophobicContact CD2-CG1 4.16Å; F274-I345 HydrophobicContact CE2-CD1 4.11Å; F274-I345 HydrophobicContact CE2-CG1 3.78Å; L341-I345 HydrophobicContact CB-CD1 4.23Å; L341-I345 WeakPolarHBondContact O-CB 3.37Å; L341-I345 VanDerWaalsContact O-CD1 3.29Å; L341-I345 WeakPolarHBondContact O-CD1 3.43Å; L341-I345 WeakPolarHBondContact O-CG1 3.32Å; L341-I345 PolarHBondContact O-N 3.36Å; C342-I345 PolarHBondContact O-N 3.22Å; I345-R348 PolarHBondContact O-N 3.04Å; I345-G349 PolarHBondContact O-N 2.87Å; I345-L350 HydrophobicContact CG2-CB 4.1Å; I345-L350 PolarHBondContact O-N 3.39Å; I345-F354 HydrophobicContact CD1-CB 3.74Å; I345-F354 HydrophobicContact CD1-CD2 4.15Å; I345-F354 HydrophobicContact CD1-CG 4.02Å; I345-F354 HydrophobicContact CG1-CB 4.44Å; I345-F354 HydrophobicContact CG1-CD2 4Å; I345-F354 HydrophobicContact CG1-CG 4.39Å; I345-F354 HydrophobicContact CG2-CB 4.26Å; I345-F354 HydrophobicContact CG2-CD2 4.04Å; I345-L357 HydrophobicContact CD1-CB 3.98Å; I345-L357 HydrophobicContact CD1-CD1 4.07Å; I345-V358 HydrophobicContact CB-CG2 4.41Å; I345-V358 HydrophobicContact CD1-CG2 4.43Å; I345-V358 HydrophobicContact CG2-CG2 3.77Å
346E92.1Very high91.4Very high78 Ų7839.9 Ų39.936%0.36423%0.232SC..Hα-helixtrans-65.8-44.7178.6-73.9-177.4161.700111.2C342 R348 G349 S351 K362C342-E346 WeakPolarHBondContact O-CB 3.3Å; C342-E346 WeakPolarHBondContact O-CG 3.33Å; C342-E346 PolarHBondContact O-N 3.01Å; E346-R348 PolarHBondContact O-N 3.48Å; E346-R348 VanDerWaalsContact O-N 3.15Å; E346-G349 PolarHBondContact O-N 3.15Å; E346-S351 WeakPolarHBondContact CG-OG 3.41Å; E346-K362 VanDerWaalsContact CD-NZ 3.35Å; E346-K362 WeakPolarHBondContact OE1-CE 3.48Å; E346-K362 IonicContact OE1-NZ 2.74Å; E346-K362 PolarHBondContact OE1-NZ 3.45Å; E346-K362 IonicContact OE2-NZ 3.28Å; E346-K362 PolarHBondContact OE2-NZ 2.66Å; E346-K362 VanDerWaalsContact OE2-NZ 3.15Å
347A87.7Confident91.8Very high77 Ų7735.5 Ų35.564%0.63622%0.215SC*.Hα-helixtrans-59.7-26.4176.400000113.2D343D343-A347 WeakPolarHBondContact O-CB 3.22Å; D343-A347 PolarHBondContact O-N 2.8Å
348R89.2Confident92.1Very high99 Ų9935.9 Ų35.937%0.37422%0.217SC..THydrogen-bonded Turntrans-95-0.3177.1-66.5172.2178-142.10.4113.7D164 M344 I345 E346 L350D164-R348 IonicContact OD1-CZ 3.23Å; D164-R348 IonicContact OD1-NE 2.79Å; D164-R348 IonicContact OD1-NH2 3.97Å; D164-R348 PolarHBondContact OD1-NH2 3.02Å; D164-R348 IonicContact OD2-NH2 2.95Å; D164-R348 PolarHBondContact OD2-NH2 3.33Å; M344-R348 WeakPolarHBondContact O-CB 3.34Å; M344-R348 WeakPolarHBondContact O-CD 3.32Å; M344-R348 VanDerWaalsContact O-CG 3.27Å; M344-R348 WeakPolarHBondContact O-CG 3.47Å; M344-R348 PolarHBondContact O-N 3.31Å; I345-R348 PolarHBondContact O-N 3.04Å; E346-R348 PolarHBondContact O-N 3.48Å; E346-R348 VanDerWaalsContact O-N 3.15Å; R348-L350 VanDerWaalsContact C-N 3.29Å; R348-L350 HydrophobicContact CB-CD1 3.76Å; R348-L350 HydrophobicContact CB-CG 3.82Å; R348-L350 PolarHBondContact O-N 3.23Å
349G92.7Very high92.3Very high64 Ų6436 Ų3666%0.6622%0.218SC*.THydrogen-bonded Turntrans67.625.3-177.600000114.1I345 E346I345-G349 PolarHBondContact O-N 2.87Å; E346-G349 PolarHBondContact O-N 3.15Å
350L92.8Very high92.6Very high17 Ų1731.8 Ų31.89%0.08920%0.199CC..  trans-100.59.4-172.5-59.1175.2000113.6R277 I345 R348 A352 E353 F354R277-L350 HydrophobicContact CG-CD1 4.22Å; I345-L350 HydrophobicContact CG2-CB 4.1Å; I345-L350 PolarHBondContact O-N 3.39Å; R348-L350 VanDerWaalsContact C-N 3.29Å; R348-L350 HydrophobicContact CB-CD1 3.76Å; R348-L350 HydrophobicContact CB-CG 3.82Å; R348-L350 PolarHBondContact O-N 3.23Å; L350-A352 PolarHBondContact O-N 3.44Å; L350-A352 VanDerWaalsContact O-N 3.11Å; L350-E353 VanDerWaalsContact CD2-OE1 3.3Å; L350-E353 WeakPolarHBondContact CD2-OE1 3.46Å; L350-E353 WeakPolarHBondContact O-CB 3.37Å; L350-E353 PolarHBondContact O-N 3.19Å; L350-F354 HydrophobicContact CB-CD2 3.9Å; L350-F354 HydrophobicContact CB-CE2 3.86Å; L350-F354 HydrophobicContact CD1-CE2 4.12Å; L350-F354 WeakPolarHBondContact O-CD2 3.43Å; L350-F354 PolarHBondContact O-N 2.94Å
351S93.1Very high93.1Very high42 Ų4231 Ų3129%0.29420%0.195SC..THydrogen-bonded Turntrans-58.7-30.2-171.8-47.80000114.4E346 E353E346-S351 WeakPolarHBondContact CG-OG 3.41Å; S351-E353 VanDerWaalsContact C-N 3.29Å; S351-E353 PolarHBondContact O-N 3.13Å
352A92.5Very high93.5Very high84 Ų8431.9 Ų31.969%0.69420%0.199SC*.THydrogen-bonded Turntrans-71-23.7176.500000113.3L350L350-A352 PolarHBondContact O-N 3.44Å; L350-A352 VanDerWaalsContact O-N 3.11Å
353E93.8Very high93.8Very high70 Ų7031.9 Ų31.933%0.32720%0.199SC..THydrogen-bonded Turntrans-85.1-22.4179-60.8-172.8-136.500112.7R277 L350 S351 P355 L381R277-E353 IonicContact CZ-OE1 2.77Å; R277-E353 IonicContact CZ-OE2 3.15Å; R277-E353 IonicContact NH2-OE1 2.72Å; R277-E353 PolarHBondContact NH2-OE1 3.42Å; R277-E353 IonicContact NH2-OE2 2.75Å; R277-E353 PolarHBondContact NH2-OE2 3.46Å; L350-E353 VanDerWaalsContact CD2-OE1 3.3Å; L350-E353 WeakPolarHBondContact CD2-OE1 3.46Å; L350-E353 WeakPolarHBondContact O-CB 3.37Å; L350-E353 PolarHBondContact O-N 3.19Å; S351-E353 VanDerWaalsContact C-N 3.29Å; S351-E353 PolarHBondContact O-N 3.13Å; E353-P355 WeakPolarHBondContact O-CD 3.37Å; E353-L381 HydrophobicContact CB-CD1 4.42Å; E353-L381 HydrophobicContact CG-CD1 4.22Å
354F95.7Very high94.2Very high1 Ų129.4 Ų29.40%0.00419%0.187CC..  trans-125.455.2-175.5-56.8-71.6000113.2E270 E273 F274 I345 L350 L356 L357 V358E270-F354 HydrophobicContact CB-CD1 4.09Å; E270-F354 HydrophobicContact CG-CD1 4.14Å; E270-F354 VanDerWaalsContact OE2-C 3.26Å; E270-F354 WeakPolarHBondContact OE2-CA 3.49Å; E273-F354 HydrophobicContact CB-CE1 4.02Å; E273-F354 HydrophobicContact CB-CZ 4.46Å; F274-F354 HydrophobicContact CB-CD1 4.21Å; F274-F354 HydrophobicContact CB-CE1 3.61Å; F274-F354 HydrophobicContact CB-CZ 4.06Å; F274-F354 HydrophobicContact CD2-CD1 4.46Å; F274-F354 HydrophobicContact CD2-CE1 4.19Å; F274-F354 HydrophobicContact CD2-CE2 4.29Å; F274-F354 HydrophobicContact CD2-CZ 4.1Å; F274-F354 HydrophobicContact CG-CE1 4.43Å; I345-F354 HydrophobicContact CD1-CB 3.74Å; I345-F354 HydrophobicContact CD1-CD2 4.15Å; I345-F354 HydrophobicContact CD1-CG 4.02Å; I345-F354 HydrophobicContact CG1-CB 4.44Å; I345-F354 HydrophobicContact CG1-CD2 4Å; I345-F354 HydrophobicContact CG1-CG 4.39Å; I345-F354 HydrophobicContact CG2-CB 4.26Å; I345-F354 HydrophobicContact CG2-CD2 4.04Å; L350-F354 HydrophobicContact CB-CD2 3.9Å; L350-F354 HydrophobicContact CB-CE2 3.86Å; L350-F354 HydrophobicContact CD1-CE2 4.12Å; L350-F354 WeakPolarHBondContact O-CD2 3.43Å; L350-F354 PolarHBondContact O-N 2.94Å; F354-L356 VanDerWaalsContact C-N 3.32Å; F354-L356 PolarHBondContact O-N 2.74Å; F354-L357 HydrophobicContact CB-CB 4.35Å; F354-L357 HydrophobicContact CB-CD1 4.38Å; F354-L357 HydrophobicContact CD1-CD1 4.18Å; F354-L357 PolarHBondContact O-N 3.01Å; F354-V358 WeakPolarHBondContact O-CG2 3.37Å; F354-V358 PolarHBondContact O-N 2.75Å; F354-V358 VanDerWaalsContact O-N 3.15Å
355P96.7Very high94.6Very high17 Ų1732 Ų3211%0.1121%0.205CC..Hα-helixtrans-61.5-35.4-173.825.8-35.8000113.4E270 E353 T359 H380E270-P355 WeakPolarHBondContact OE1-CD 3.24Å; E270-P355 WeakPolarHBondContact OE1-CG 3.47Å; E353-P355 WeakPolarHBondContact O-CD 3.37Å; P355-T359 WeakPolarHBondContact O-CB 3.43Å; P355-T359 PolarHBondContact O-N 3.35Å; P355-T359 PolarHBondContact O-OG1 3.12Å; P355-H380 HydrophobicContact CG-CB 4.09Å; P355-H380 VanDerWaalsContact CG-CD2 3.46Å; P355-H380 WeakPolarHBondContact CG-CD2 3.36Å
356L97.8Very high94.8Very high0 Ų034.9 Ų34.90%024%0.236CC..Hα-helixtrans-69.3-51.1179.4-173150.1000111.2V243 A246 V263 L266 E270 F354 V358 T359 V360 L377V243-L356 HydrophobicContact CG2-CD2 4.2Å; A246-L356 HydrophobicContact CB-CD1 4.38Å; A246-L356 HydrophobicContact CB-CD2 4.22Å; A246-L356 HydrophobicContact CB-CG 4.31Å; V263-L356 HydrophobicContact CG1-CD1 3.97Å; V263-L356 WeakPolarHBondContact O-CD1 3.33Å; L266-L356 HydrophobicContact CB-CD1 4.27Å; E270-L356 WeakPolarHBondContact OE1-CA 3.2Å; E270-L356 WeakPolarHBondContact OE1-CB 3.08Å; E270-L356 PolarHBondContact OE1-N 2.92Å; E270-L356 WeakPolarHBondContact OE2-CB 3.44Å; E270-L356 PolarHBondContact OE2-N 2.94Å; F354-L356 VanDerWaalsContact C-N 3.32Å; F354-L356 PolarHBondContact O-N 2.74Å; L356-V358 VanDerWaalsContact C-N 3.29Å; L356-V358 PolarHBondContact O-N 3.11Å; L356-T359 PolarHBondContact O-N 2.99Å; L356-V360 HydrophobicContact CD2-CG2 4.22Å; L356-V360 WeakPolarHBondContact O-CG2 3.44Å; L356-V360 PolarHBondContact O-N 3.27Å; L356-L377 HydrophobicContact CB-CD2 3.65Å; L356-L377 HydrophobicContact CD1-CD1 4.23Å; L356-L377 HydrophobicContact CD1-CD2 4.21Å; L356-L377 HydrophobicContact CG-CD2 4.17Å
357L95.4Very high95Very high0 Ų036.4 Ų36.40%024%0.242CC..Hα-helixtrans-58.1-43.5-179.9-67.5177.8000111.2L239 V242 E270 F274 L341 I345 F354L239-L357 HydrophobicContact CD2-CD1 4.47Å; V242-L357 HydrophobicContact CB-CD2 3.95Å; V242-L357 HydrophobicContact CG1-CD2 3.65Å; E270-L357 HydrophobicContact CB-CD1 4.26Å; E270-L357 HydrophobicContact CB-CG 4.27Å; E270-L357 VanDerWaalsContact OE2-CG 3.26Å; E270-L357 WeakPolarHBondContact OE2-CG 3.43Å; E270-L357 PolarHBondContact OE2-N 2.66Å; F274-L357 HydrophobicContact CB-CD1 4.39Å; F274-L357 HydrophobicContact CD2-CD1 4.39Å; F274-L357 HydrophobicContact CG-CD1 4.41Å; L341-L357 HydrophobicContact CD1-CD1 4.37Å; L341-L357 HydrophobicContact CD1-CD2 4.05Å; I345-L357 HydrophobicContact CD1-CB 3.98Å; I345-L357 HydrophobicContact CD1-CD1 4.07Å; F354-L357 HydrophobicContact CB-CB 4.35Å; F354-L357 HydrophobicContact CB-CD1 4.38Å; F354-L357 HydrophobicContact CD1-CD1 4.18Å; F354-L357 PolarHBondContact O-N 3.01Å
358V96.4Very high95.4Very high7 Ų736.2 Ų36.24%0.04223%0.225CC..Hα-helixtrans-66.6-47.3175.7172.90000111.2I345 F354 L356 V360 H361 K362 W368I345-V358 HydrophobicContact CB-CG2 4.41Å; I345-V358 HydrophobicContact CD1-CG2 4.43Å; I345-V358 HydrophobicContact CG2-CG2 3.77Å; F354-V358 WeakPolarHBondContact O-CG2 3.37Å; F354-V358 PolarHBondContact O-N 2.75Å; F354-V358 VanDerWaalsContact O-N 3.15Å; L356-V358 VanDerWaalsContact C-N 3.29Å; L356-V358 PolarHBondContact O-N 3.11Å; V358-V360 VanDerWaalsContact C-N 3.31Å; V358-V360 PolarHBondContact O-N 3.16Å; V358-H361 PolarHBondContact O-N 2.8Å; V358-H361 VanDerWaalsContact O-N 3.17Å; V358-K362 HydrophobicContact CG1-CG 4.07Å; V358-K362 WeakPolarHBondContact O-CG 3.32Å; V358-K362 PolarHBondContact O-N 2.88Å; V358-W368 HydrophobicContact CG1-CH2 4.22Å; V358-W368 HydrophobicContact CG1-CZ3 4.48Å
359T97.4Very high95.8Very high3 Ų338.9 Ų38.92%0.01824%0.24CC..Hα-helixtrans-61-39.7-176.6-65.50000112.2P355 L356 H361 K362 I363 W368 L373 R376P355-T359 WeakPolarHBondContact O-CB 3.43Å; P355-T359 PolarHBondContact O-N 3.35Å; P355-T359 PolarHBondContact O-OG1 3.12Å; L356-T359 PolarHBondContact O-N 2.99Å; T359-H361 VanDerWaalsContact C-N 3.34Å; T359-H361 PolarHBondContact O-N 3.24Å; T359-K362 PolarHBondContact O-N 3.27Å; T359-I363 HydrophobicContact CG2-CD1 3.52Å; T359-I363 HydrophobicContact CG2-CG1 4.17Å; T359-I363 WeakPolarHBondContact O-CB 3.5Å; T359-I363 WeakPolarHBondContact O-CG1 3.38Å; T359-I363 PolarHBondContact O-N 3.19Å; T359-W368 HydrophobicContact CG2-CE3 4.25Å; T359-W368 HydrophobicContact CG2-CZ3 4.39Å; T359-L373 HydrophobicContact CG2-CD1 3.71Å; T359-R376 HydrophobicContact CG2-CB 4.26Å
360V97.8Very high96Very high0 Ų036.9 Ų36.90%021%0.214CC..Hα-helixtrans-58.8-46.2177171.50000111.1V242 C245 A246 M249 A338 L356 V358 C364V242-V360 HydrophobicContact CG1-CB 3.75Å; V242-V360 HydrophobicContact CG1-CG1 3.75Å; V242-V360 HydrophobicContact CG1-CG2 4.05Å; C245-V360 HydrophobicContact CB-CG1 3.67Å; A246-V360 HydrophobicContact CB-CG2 3.7Å; M249-V360 HydrophobicContact CE-CG1 4.35Å; A338-V360 HydrophobicContact CB-CB 4.4Å; A338-V360 HydrophobicContact CB-CG1 3.91Å; L356-V360 HydrophobicContact CD2-CG2 4.22Å; L356-V360 WeakPolarHBondContact O-CG2 3.44Å; L356-V360 PolarHBondContact O-N 3.27Å; V358-V360 VanDerWaalsContact C-N 3.31Å; V358-V360 PolarHBondContact O-N 3.16Å; V360-C364 WeakPolarHBondContact O-CB 3.21Å; V360-C364 PolarHBondContact O-N 3.31Å; V360-C364 PolarHBondContact O-SG 3.3Å; V360-C364 VanDerWaalsContact O-SG 3.38Å
361H96.4Very high96.2Very high16 Ų1640.5 Ų40.57%0.07423%0.234CC..Hα-helixtrans-62.1-52.7177.3172.260000111.7A338 E339 C342 V358 T359 I363 C364 S365A338-H361 HydrophobicContact CB-CB 3.88Å; E339-H361 WeakPolarHBondContact CA-ND1 3.48Å; E339-H361 WeakPolarHBondContact CB-ND1 3.09Å; C342-H361 HydrophobicContact CB-CB 3.77Å; C342-H361 VanDerWaalsContact SG-CD2 3.55Å; V358-H361 PolarHBondContact O-N 2.8Å; V358-H361 VanDerWaalsContact O-N 3.17Å; T359-H361 VanDerWaalsContact C-N 3.34Å; T359-H361 PolarHBondContact O-N 3.24Å; H361-I363 PolarHBondContact O-N 3.03Å; H361-C364 PolarHBondContact O-N 3.44Å; H361-C364 VanDerWaalsContact O-N 3.08Å; H361-S365 WeakPolarHBondContact O-CB 3.44Å; H361-S365 PolarHBondContact O-N 3.44Å; H361-S365 PolarHBondContact O-OG 3.17Å
362K97.4Very high96.3Very high18 Ų1839.8 Ų39.88%0.07823%0.229CC..Hα-helixtrans-60.6-32.8-176.3-60.4-66-176.9-167.80112.2E346 V358 T359 S365 Q367 W368E346-K362 VanDerWaalsContact CD-NZ 3.35Å; E346-K362 WeakPolarHBondContact OE1-CE 3.48Å; E346-K362 IonicContact OE1-NZ 2.74Å; E346-K362 PolarHBondContact OE1-NZ 3.45Å; E346-K362 IonicContact OE2-NZ 3.28Å; E346-K362 PolarHBondContact OE2-NZ 2.66Å; E346-K362 VanDerWaalsContact OE2-NZ 3.15Å; V358-K362 HydrophobicContact CG1-CG 4.07Å; V358-K362 WeakPolarHBondContact O-CG 3.32Å; V358-K362 PolarHBondContact O-N 2.88Å; T359-K362 PolarHBondContact O-N 3.27Å; K362-S365 PolarHBondContact O-OG 3.2Å; K362-Q367 HydrophobicContact CB-CB 4.29Å; K362-Q367 HydrophobicContact CD-CB 4.35Å; K362-Q367 WeakPolarHBondContact O-CA 3.45Å; K362-Q367 WeakPolarHBondContact O-CB 3.4Å; K362-Q367 PolarHBondContact O-N 3.32Å; K362-W368 HydrophobicContact CB-CB 4.34Å; K362-W368 HydrophobicContact CB-CD2 3.36Å; K362-W368 HydrophobicContact CB-CE3 3.3Å; K362-W368 HydrophobicContact CB-CG 3.87Å; K362-W368 HydrophobicContact CB-CH2 4.24Å; K362-W368 HydrophobicContact CB-CZ2 4.28Å; K362-W368 HydrophobicContact CB-CZ3 3.77Å; K362-W368 HydrophobicContact CG-CD2 3.97Å; K362-W368 HydrophobicContact CG-CE3 3.84Å; K362-W368 HydrophobicContact CG-CH2 3.81Å; K362-W368 HydrophobicContact CG-CZ2 3.92Å; K362-W368 HydrophobicContact CG-CZ3 3.77Å; K362-W368 PolarHBondContact O-N 2.87Å
363I98Very high96.6Very high0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-71.6-51.2172.2-69.6171.2000110.9M249 F312 T359 H361 S365 G366 W368 V370 L373M249-I363 HydrophobicContact CE-CB 4.17Å; M249-I363 HydrophobicContact CE-CG2 3.7Å; M249-I363 HydrophobicContact SD-CB 4.35Å; M249-I363 HydrophobicContact SD-CD1 4.16Å; M249-I363 HydrophobicContact SD-CG2 3.83Å; F312-I363 HydrophobicContact CE1-CG2 3.63Å; F312-I363 HydrophobicContact CZ-CG2 4.17Å; T359-I363 HydrophobicContact CG2-CD1 3.52Å; T359-I363 HydrophobicContact CG2-CG1 4.17Å; T359-I363 WeakPolarHBondContact O-CB 3.5Å; T359-I363 WeakPolarHBondContact O-CG1 3.38Å; T359-I363 PolarHBondContact O-N 3.19Å; H361-I363 PolarHBondContact O-N 3.03Å; I363-S365 PolarHBondContact O-N 2.88Å; I363-G366 PolarHBondContact O-N 3.03Å; I363-W368 HydrophobicContact CG1-CB 4.13Å; I363-V370 HydrophobicContact CG2-CB 3.93Å; I363-V370 HydrophobicContact CG2-CG2 4.09Å; I363-L373 HydrophobicContact CD1-CB 3.82Å; I363-L373 HydrophobicContact CD1-CD1 4.12Å
364C96.5Very high96.7Very high21 Ų2133.6 Ų33.614%0.14219%0.186CC..Hα-helixtrans-62.1-29.3-178.3-76.70000113.3M249 I319 P335 V360 H361 G366M249-C364 WeakPolarHBondContact CE-SG 3.29Å; I319-C364 HydrophobicContact CG1-CB 4.35Å; P335-C364 HydrophobicContact CB-CB 4.03Å; P335-C364 HydrophobicContact CG-CB 4.42Å; V360-C364 WeakPolarHBondContact O-CB 3.21Å; V360-C364 PolarHBondContact O-N 3.31Å; V360-C364 PolarHBondContact O-SG 3.3Å; V360-C364 VanDerWaalsContact O-SG 3.38Å; H361-C364 PolarHBondContact O-N 3.44Å; H361-C364 VanDerWaalsContact O-N 3.08Å; C364-G366 VanDerWaalsContact C-N 3.31Å
365S95.3Very high96.7Very high57 Ų5738.1 Ų38.140%0.39921%0.211SC..THydrogen-bonded Turntrans-85-0.5176.280.30000113.5H361 K362 I363 Q367H361-S365 WeakPolarHBondContact O-CB 3.44Å; H361-S365 PolarHBondContact O-N 3.44Å; H361-S365 PolarHBondContact O-OG 3.17Å; K362-S365 PolarHBondContact O-OG 3.2Å; I363-S365 PolarHBondContact O-N 2.88Å; S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 2.9Å; S365-Q367 WeakPolarHBondContact OG-CG 3.11Å; S365-Q367 PolarHBondContact OG-NE2 3.18Å
366G95.2Very high96.5Very high62 Ų6241.5 Ų41.564%0.63922%0.221SC*.THydrogen-bonded Turntrans73.89.5-177.800000115.5I363 C364I363-G366 PolarHBondContact O-N 3.03Å; C364-G366 VanDerWaalsContact C-N 3.31Å
367Q96.3Very high96.3Very high109 Ų10941.9 Ų41.951%0.50922%0.223SC..SBendtrans-70.2-37175.3-71.9174.359.900110.9K362 S365K362-Q367 HydrophobicContact CB-CB 4.29Å; K362-Q367 HydrophobicContact CD-CB 4.35Å; K362-Q367 WeakPolarHBondContact O-CA 3.45Å; K362-Q367 WeakPolarHBondContact O-CB 3.4Å; K362-Q367 PolarHBondContact O-N 3.32Å; S365-Q367 VanDerWaalsContact C-N 3.28Å; S365-Q367 PolarHBondContact O-N 2.9Å; S365-Q367 WeakPolarHBondContact OG-CG 3.11Å; S365-Q367 PolarHBondContact OG-NE2 3.18Å
368W97Very high96.1Very high74 Ų7450.1 Ų50.128%0.2825%0.254SS..SBendtrans-121.2151.5177.3-62.3-19.1000111.7V358 T359 K362 I363 R376V358-W368 HydrophobicContact CG1-CH2 4.22Å; V358-W368 HydrophobicContact CG1-CZ3 4.48Å; T359-W368 HydrophobicContact CG2-CE3 4.25Å; T359-W368 HydrophobicContact CG2-CZ3 4.39Å; K362-W368 HydrophobicContact CB-CB 4.34Å; K362-W368 HydrophobicContact CB-CD2 3.36Å; K362-W368 HydrophobicContact CB-CE3 3.3Å; K362-W368 HydrophobicContact CB-CG 3.87Å; K362-W368 HydrophobicContact CB-CH2 4.24Å; K362-W368 HydrophobicContact CB-CZ2 4.28Å; K362-W368 HydrophobicContact CB-CZ3 3.77Å; K362-W368 HydrophobicContact CG-CD2 3.97Å; K362-W368 HydrophobicContact CG-CE3 3.84Å; K362-W368 HydrophobicContact CG-CH2 3.81Å; K362-W368 HydrophobicContact CG-CZ2 3.92Å; K362-W368 HydrophobicContact CG-CZ3 3.77Å; K362-W368 PolarHBondContact O-N 2.87Å; I363-W368 HydrophobicContact CG1-CB 4.13Å; W368-R376 VanDerWaalsContact CD2-NE 3.31Å; W368-R376 VanDerWaalsContact CD2-NH2 3.27Å; W368-R376 VanDerWaalsContact CZ3-CZ 3.41Å
369K97.2Very high95.3Very high154 Ų15454.5 Ų54.567%0.6729%0.285SS*.  trans-72.9143.2173.8-66.2-172.3176.3-176.10110.9D371 S372K369-D371 WeakPolarHBondContact CB-OD1 3.36Å; K369-D371 PolarHBondContact O-N 3.49Å; K369-S372 WeakPolarHBondContact O-CB 3.22Å; K369-S372 PolarHBondContact O-N 3.44Å; K369-S372 PolarHBondContact O-OG 3.01Å
370V97.7Very high94.8Very high22 Ų2254.7 Ų54.713%0.13329%0.286CS..G310 helixtrans-61.3-35.2-177.963.10000112.8M249 L253 F312 A313 I363 S372 L373M249-V370 HydrophobicContact CB-CG2 4.02Å; M249-V370 HydrophobicContact CG-CG2 3.99Å; M249-V370 HydrophobicContact SD-CG2 4.37Å; L253-V370 HydrophobicContact CD1-CG2 4.28Å; L253-V370 HydrophobicContact CD2-CG1 4.19Å; L253-V370 HydrophobicContact CD2-CG2 4.5Å; L253-V370 HydrophobicContact CG-CG2 4.41Å; F312-V370 HydrophobicContact CD1-CG2 4.45Å; F312-V370 HydrophobicContact CE1-CB 4.12Å; F312-V370 HydrophobicContact CE1-CG2 4.2Å; A313-V370 HydrophobicContact CB-CG2 3.76Å; I363-V370 HydrophobicContact CG2-CB 3.93Å; I363-V370 HydrophobicContact CG2-CG2 4.09Å; V370-S372 PolarHBondContact O-N 2.88Å; V370-L373 VanDerWaalsContact O-CB 3.22Å; V370-L373 WeakPolarHBondContact O-CB 3.5Å; V370-L373 PolarHBondContact O-N 3.45Å
371D96.2Very high93.8Very high94 Ų9461 Ų6150%0.50332%0.318SS..G310 helixtrans-62.9-18.1176.227.8-44.3000113.1L253 K369 L373L253-D371 HydrophobicContact CD2-CB 4.38Å; K369-D371 WeakPolarHBondContact CB-OD1 3.36Å; K369-D371 PolarHBondContact O-N 3.49Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 3.43Å
372S96.6Very high92.7Very high26 Ų2661.7 Ų61.718%0.18233%0.327CS..G310 helixtrans-79.3-7172.874.80000114.6K369 V370 I374 D375 R376K369-S372 WeakPolarHBondContact O-CB 3.22Å; K369-S372 PolarHBondContact O-N 3.44Å; K369-S372 PolarHBondContact O-OG 3.01Å; V370-S372 PolarHBondContact O-N 2.88Å; S372-I374 PolarHBondContact O-N 3.23Å; S372-D375 PolarHBondContact O-N 3.23Å; S372-R376 WeakPolarHBondContact O-CG 3.39Å; S372-R376 PolarHBondContact O-N 3.34Å; S372-R376 VanDerWaalsContact O-N 3.15Å
373L97.2Very high91.3Very high0 Ų067.2 Ų67.20%036%0.358CS..Hα-helixtrans-52.1-53.3-175.1175.162.6000112.2M249 V250 T359 I363 V370 D371 R376 L377M249-L373 HydrophobicContact CB-CD2 3.67Å; M249-L373 HydrophobicContact SD-CD2 4.27Å; V250-L373 HydrophobicContact CG2-CD2 3.97Å; T359-L373 HydrophobicContact CG2-CD1 3.71Å; I363-L373 HydrophobicContact CD1-CB 3.82Å; I363-L373 HydrophobicContact CD1-CD1 4.12Å; V370-L373 VanDerWaalsContact O-CB 3.22Å; V370-L373 WeakPolarHBondContact O-CB 3.5Å; V370-L373 PolarHBondContact O-N 3.45Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 3.43Å; L373-R376 PolarHBondContact O-N 3.43Å; L373-L377 HydrophobicContact CD1-CD1 4.16Å; L373-L377 HydrophobicContact CG-CD1 4.41Å; L373-L377 WeakPolarHBondContact O-CG 3.36Å; L373-L377 PolarHBondContact O-N 3.5Å
374I96.5Very high91Very high24 Ų2470.6 Ų70.612%0.12338%0.376CS..Hα-helixtrans-69.8-40.8-173.8-60.4-53.7000111.4V250 Y255 T259 V263 S372 R376 L377 R378V250-I374 HydrophobicContact CG2-CD1 4.28Å; Y255-I374 HydrophobicContact CD2-CD1 4.5Å; Y255-I374 HydrophobicContact CD2-CG1 4.04Å; Y255-I374 HydrophobicContact CE1-CG1 4.44Å; Y255-I374 HydrophobicContact CE2-CD1 4.38Å; Y255-I374 HydrophobicContact CE2-CG1 3.47Å; Y255-I374 VanDerWaalsContact CE2-CG1 3.47Å; T259-I374 HydrophobicContact CG2-CD1 3.59Å; T259-I374 HydrophobicContact CG2-CG1 4.28Å; V263-I374 HydrophobicContact CG2-CD1 4.08Å; S372-I374 PolarHBondContact O-N 3.23Å; I374-R376 PolarHBondContact O-N 3.28Å; I374-L377 PolarHBondContact O-N 3.27Å; I374-R378 PolarHBondContact O-N 3.42Å
375D94.9Very high90.7Very high97 Ų9773.2 Ų73.252%0.51939%0.388SS..Hα-helixtrans-62.7-35.2-179.1-70-26.7000112S372 L377 R378S372-D375 PolarHBondContact O-N 3.23Å; D375-L377 VanDerWaalsContact C-N 3.27Å; D375-L377 PolarHBondContact O-N 3.38Å; D375-R378 WeakPolarHBondContact O-CB 3.36Å; D375-R378 PolarHBondContact O-N 2.66Å; D375-R378 IonicContact OD1-CZ 3.95Å; D375-R378 IonicContact OD1-NE 3.81Å; D375-R378 PolarHBondContact OD1-NE 2.71Å; D375-R378 IonicContact OD1-NH2 2.75Å
376R93.7Very high90.4Very high88 Ų8874.1 Ų74.133%0.33239%0.387SS..Hα-helixtrans-69.7-24.4174.9-69.9-178.6174.6-76.61.9113.8T359 W368 S372 L373 I374T359-R376 HydrophobicContact CG2-CB 4.26Å; W368-R376 VanDerWaalsContact CD2-NE 3.31Å; W368-R376 VanDerWaalsContact CD2-NH2 3.27Å; W368-R376 VanDerWaalsContact CZ3-CZ 3.41Å; S372-R376 WeakPolarHBondContact O-CG 3.39Å; S372-R376 PolarHBondContact O-N 3.34Å; S372-R376 VanDerWaalsContact O-N 3.15Å; L373-R376 PolarHBondContact O-N 3.43Å; I374-R376 PolarHBondContact O-N 3.28Å
377L94.3Very high90.1Very high8 Ų874.8 Ų74.84%0.04237%0.373CS..Hα-helixtrans-87.1-11.1176.7-62.1178.4000113V263 L266 L356 L373 I374 D375 S379 H380 N383V263-L377 HydrophobicContact CG2-CD1 3.76Å; L266-L377 HydrophobicContact CD1-CB 4.11Å; L356-L377 HydrophobicContact CB-CD2 3.65Å; L356-L377 HydrophobicContact CD1-CD1 4.23Å; L356-L377 HydrophobicContact CD1-CD2 4.21Å; L356-L377 HydrophobicContact CG-CD2 4.17Å; L373-L377 HydrophobicContact CD1-CD1 4.16Å; L373-L377 HydrophobicContact CG-CD1 4.41Å; L373-L377 WeakPolarHBondContact O-CG 3.36Å; L373-L377 PolarHBondContact O-N 3.5Å; I374-L377 PolarHBondContact O-N 3.27Å; D375-L377 VanDerWaalsContact C-N 3.27Å; D375-L377 PolarHBondContact O-N 3.38Å; L377-S379 VanDerWaalsContact C-N 3.3Å; L377-S379 PolarHBondContact O-N 2.83Å; L377-H380 VanDerWaalsContact O-CB 3.29Å; L377-H380 WeakPolarHBondContact O-CB 3.38Å; L377-H380 PolarHBondContact O-N 3.41Å; L377-N383 PolarHBondContact O-ND2 2.95Å
378R90.9Very high89.7Confident173 Ų17372.7 Ų72.765%0.65336%0.364SS*.Hα-helixtrans-62.6-37.5178.3-69.4178.5-174.5-89.11.4112.3I374 D375 H380 N383I374-R378 PolarHBondContact O-N 3.42Å; D375-R378 WeakPolarHBondContact O-CB 3.36Å; D375-R378 PolarHBondContact O-N 2.66Å; D375-R378 IonicContact OD1-CZ 3.95Å; D375-R378 IonicContact OD1-NE 3.81Å; D375-R378 PolarHBondContact OD1-NE 2.71Å; D375-R378 IonicContact OD1-NH2 2.75Å; R378-H380 VanDerWaalsContact C-N 3.29Å; R378-H380 PolarHBondContact O-N 3.37Å; R378-N383 PolarHBondContact O-ND2 2.94Å
379S78.6Confident89.3Confident98 Ų9872.6 Ų72.669%0.68537%0.37SS*.THydrogen-bonded Turntrans-88.814.3179.761.20000114L377 L381L377-S379 VanDerWaalsContact C-N 3.3Å; L377-S379 PolarHBondContact O-N 2.83Å; S379-L381 PolarHBondContact O-N 2.91Å
380H86.8Confident88.7Confident8 Ų866.8 Ų66.84%0.03735%0.348CS..  trans-63.3135.3179.2-168.6-50.8000110.4L266 E270 P355 L377 R378 A382 N383L266-H380 HydrophobicContact CD1-CB 4.22Å; L266-H380 HydrophobicContact CD2-CB 4.17Å; E270-H380 WeakPolarHBondContact CG-NE2 3.29Å; E270-H380 IonicContact OE1-CD2 2.74Å; E270-H380 PolarHBondContact OE1-CD2 3.34Å; E270-H380 VanDerWaalsContact OE1-CD2 3.28Å; E270-H380 IonicContact OE1-CE1 2.94Å; E270-H380 IonicContact OE1-NE2 3.26Å; E270-H380 PolarHBondContact OE1-NE2 2.76Å; P355-H380 HydrophobicContact CG-CB 4.09Å; P355-H380 VanDerWaalsContact CG-CD2 3.46Å; P355-H380 WeakPolarHBondContact CG-CD2 3.36Å; L377-H380 VanDerWaalsContact O-CB 3.29Å; L377-H380 WeakPolarHBondContact O-CB 3.38Å; L377-H380 PolarHBondContact O-N 3.41Å; R378-H380 VanDerWaalsContact C-N 3.29Å; R378-H380 PolarHBondContact O-N 3.37Å; H380-A382 PolarHBondContact ND1-N 2.69Å; H380-A382 PolarHBondContact O-N 3.25Å; H380-N383 PolarHBondContact O-N 3.3Å
381L76.4Confident88Confident131 Ų13170.2 Ų70.269%0.68637%0.365SS*.THydrogen-bonded Turntrans-57.1-9.1-177.9-63.6175.2000115.9E353 S379E353-L381 HydrophobicContact CB-CD1 4.42Å; E353-L381 HydrophobicContact CG-CD1 4.22Å; S379-L381 PolarHBondContact O-N 2.91Å
382A74.2Confident87.3Confident32 Ų3268.3 Ų68.326%0.26435%0.353SS..THydrogen-bonded Turntrans-110.17.8-176.500000112.7R265 L266 I269 H380R265-A382 PolarHBondContact NH1-O 2.73Å; R265-A382 PolarHBondContact NH2-O 2.71Å; L266-A382 HydrophobicContact CD2-CB 4.05Å; I269-A382 HydrophobicContact CD1-CB 3.8Å; I269-A382 HydrophobicContact CG2-CB 4.24Å; H380-A382 PolarHBondContact ND1-N 2.69Å; H380-A382 PolarHBondContact O-N 3.25Å
383N67.9Low86.5Confident134 Ų13472.1 Ų72.172%0.71737%0.369SS*.  trans-94.90164.2-62.5-26.9000108.4R265 L377 R378 H380R265-N383 PolarHBondContact NH2-OD1 3.32Å; L377-N383 PolarHBondContact O-ND2 2.95Å; R378-N383 PolarHBondContact O-ND2 2.94Å; H380-N383 PolarHBondContact O-N 3.3Å

Retrieved 383 of 383 residues in 113.6 ms (Link to these results)

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