A0A024R3B8_HUMAN Loading...

Coiled-coil domain containing 82

AlphaFold DB , UniProt , Accession A0A024R3B8, Species HUMAN (Homo sapiens, Human), Gene CCDC82, Length 172 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
1M57.6Low75.2Confident190 Ų190104 Ų10494%0.93652%0.522SS*.  0-55.30-125-171.1-75.200111.8T3 S4 L5M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3Å; M1-S4 WeakPolarHBondContact O-CB 3.06Å; M1-S4 PolarHBondContact O-N 2.97Å; M1-S4 VanDerWaalsContact O-N 3.08Å; M1-L5 PolarHBondContact O-N 3.16Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2L59.9Low76.4Confident132 Ų132101.9 Ų101.969%0.69151%0.508SS*.Hα-helixtrans-54.3-42.8172.2-92.2137.3000113.3S4 L5 H6L2-S4 VanDerWaalsContact C-N 3.32Å; L2-S4 PolarHBondContact O-N 3.34Å; L2-L5 PolarHBondContact O-N 3.44Å; L2-H6 WeakPolarHBondContact O-CB 3.24Å; L2-H6 PolarHBondContact O-CD2 2.85Å; L2-H6 PolarHBondContact O-N 2.75Å
3T64.4Low77.7Confident111 Ų11195 Ų9568%0.68147%0.474SS*.Hα-helixtrans-60.6-37.7175.442.30000113.3M1 Y7M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3Å; T3-Y7 VanDerWaalsContact O-CB 3.26Å; T3-Y7 WeakPolarHBondContact O-CB 3.49Å; T3-Y7 PolarHBondContact O-N 3.33Å
4S69.4Low79Confident78 Ų7893.5 Ų93.555%0.54547%0.465SS..Hα-helixtrans-69.6-38.2178-49.70000112.1M1 L2 Y7 L8M1-S4 WeakPolarHBondContact O-CB 3.06Å; M1-S4 PolarHBondContact O-N 2.97Å; M1-S4 VanDerWaalsContact O-N 3.08Å; L2-S4 VanDerWaalsContact C-N 3.32Å; L2-S4 PolarHBondContact O-N 3.34Å; S4-Y7 PolarHBondContact O-N 3.44Å; S4-L8 PolarHBondContact O-N 3.41Å
5L73.3Confident80.1Confident88 Ų8891 Ų9146%0.46146%0.458SS..Hα-helixtrans-69.5-43.5174.8-70.4173000111.6M1 L2 Y7 L8 D9M1-L5 PolarHBondContact O-N 3.16Å; M1-L5 VanDerWaalsContact O-N 3.15Å; L2-L5 PolarHBondContact O-N 3.44Å; L5-Y7 PolarHBondContact O-N 2.93Å; L5-L8 WeakPolarHBondContact O-CB 3.42Å; L5-L8 PolarHBondContact O-N 3.15Å; L5-D9 PolarHBondContact O-N 3.37Å
6H76.4Confident81.1Confident105 Ų10588.6 Ų88.649%0.48644%0.442SS..Hα-helixtrans-58.5-37.7172.1-84.4-64.3000112.2L2 N10L2-H6 WeakPolarHBondContact O-CB 3.24Å; L2-H6 PolarHBondContact O-CD2 2.85Å; L2-H6 PolarHBondContact O-N 2.75Å; H6-N10 VanDerWaalsContact O-CB 3.25Å; H6-N10 WeakPolarHBondContact O-CB 3.49Å; H6-N10 PolarHBondContact O-N 3.07Å; H6-N10 PolarHBondContact O-ND2 2.97Å
7Y82.1Confident82Confident110 Ų11083.7 Ų83.743%0.43142%0.418SS..Hα-helixtrans-69.1-41.9177.3-171.1-95.9000112.3T3 S4 L5 R11 F12T3-Y7 VanDerWaalsContact O-CB 3.26Å; T3-Y7 WeakPolarHBondContact O-CB 3.49Å; T3-Y7 PolarHBondContact O-N 3.33Å; S4-Y7 PolarHBondContact O-N 3.44Å; L5-Y7 PolarHBondContact O-N 2.93Å; Y7-R11 HydrophobicContact CD2-CB 4.45Å; Y7-R11 HydrophobicContact CE2-CB 4.43Å; Y7-R11 VanDerWaalsContact O-CB 3.22Å; Y7-R11 WeakPolarHBondContact O-CB 3.4Å; Y7-R11 PolarHBondContact O-N 3.31Å; Y7-R11 WeakPolarHBondContact OH-CD 3.44Å; Y7-R11 PolarHBondContact OH-NE 3.31Å; Y7-R11 PolarHBondContact OH-NH1 3.39Å; Y7-F12 HydrophobicContact CD1-CD2 4.26Å; Y7-F12 AromaticContact CD1-CE2 3.63Å; Y7-F12 HydrophobicContact CD1-CE2 3.63Å; Y7-F12 HydrophobicContact CE1-CD2 4.32Å; Y7-F12 AromaticContact CE1-CE2 3.37Å; Y7-F12 HydrophobicContact CE1-CE2 3.37Å; Y7-F12 AromaticContact CE1-CZ 3.96Å; Y7-F12 HydrophobicContact CE1-CZ 3.96Å
8L84.8Confident82.7Confident36 Ų3685.1 Ų85.119%0.18842%0.423CS..Iπ-helixtrans-55.4-53.8172.5176.766.5000110.8S4 L5 F12 V13 L155S4-L8 PolarHBondContact O-N 3.41Å; L5-L8 WeakPolarHBondContact O-CB 3.42Å; L5-L8 PolarHBondContact O-N 3.15Å; L8-F12 HydrophobicContact CD1-CB 4.44Å; L8-F12 HydrophobicContact CD1-CD2 4.48Å; L8-F12 WeakPolarHBondContact O-CB 3.46Å; L8-F12 PolarHBondContact O-N 3.08Å; L8-V13 HydrophobicContact CD1-CG2 4.41Å; L8-V13 HydrophobicContact CG-CG2 4.39Å; L8-V13 PolarHBondContact O-N 3.43Å; L8-V13 VanDerWaalsContact O-N 3.11Å; L8-L155 HydrophobicContact CD1-CD2 3.65Å
9D84.9Confident83.3Confident33 Ų3382.9 Ų82.918%0.17642%0.417CS..Iπ-helixtrans-60.9-56.7-178.3-68.9-30.9000110.8L5 V13 Q14 K110L5-D9 PolarHBondContact O-N 3.37Å; D9-V13 PolarHBondContact O-N 2.88Å; D9-Q14 WeakPolarHBondContact O-CB 3.4Å; D9-Q14 PolarHBondContact O-N 3.21Å; D9-K110 VanDerWaalsContact CG-NZ 3.32Å; D9-K110 WeakPolarHBondContact OD1-CD 3.41Å; D9-K110 WeakPolarHBondContact OD1-CE 3.15Å; D9-K110 IonicContact OD1-NZ 3.49Å; D9-K110 PolarHBondContact OD1-NZ 3.31Å; D9-K110 WeakPolarHBondContact OD2-CE 3.49Å; D9-K110 IonicContact OD2-NZ 3.21Å; D9-K110 PolarHBondContact OD2-NZ 2.83Å
10N87.2Confident83.9Confident105 Ų10578.9 Ų78.956%0.56140%0.397SS*.Iπ-helixtrans-79.4-31.1-167.2-66.7-19.2000113.6H6 P15H6-N10 VanDerWaalsContact O-CB 3.25Å; H6-N10 WeakPolarHBondContact O-CB 3.49Å; H6-N10 PolarHBondContact O-N 3.07Å; H6-N10 PolarHBondContact O-ND2 2.97Å; N10-P15 WeakPolarHBondContact O-CD 3.25Å
11R87.6Confident84.4Confident156 Ų15676.3 Ų76.359%0.58939%0.385SS*.Iπ-helixtrans-98.8-32.9-173.9-161.9178.5178.9152.21.6113.2Y7Y7-R11 HydrophobicContact CD2-CB 4.45Å; Y7-R11 HydrophobicContact CE2-CB 4.43Å; Y7-R11 VanDerWaalsContact O-CB 3.22Å; Y7-R11 WeakPolarHBondContact O-CB 3.4Å; Y7-R11 PolarHBondContact O-N 3.31Å; Y7-R11 WeakPolarHBondContact OH-CD 3.44Å; Y7-R11 PolarHBondContact OH-NE 3.31Å; Y7-R11 PolarHBondContact OH-NH1 3.39Å
12F89.2Confident86Confident79 Ų7971.7 Ų71.735%0.34637%0.371SS..Iπ-helixtrans-100.9-56.8-178.6-62.7-83.4000111.5Y7 L8 R16 L159Y7-F12 HydrophobicContact CD1-CD2 4.26Å; Y7-F12 AromaticContact CD1-CE2 3.63Å; Y7-F12 HydrophobicContact CD1-CE2 3.63Å; Y7-F12 HydrophobicContact CE1-CD2 4.32Å; Y7-F12 AromaticContact CE1-CE2 3.37Å; Y7-F12 HydrophobicContact CE1-CE2 3.37Å; Y7-F12 AromaticContact CE1-CZ 3.96Å; Y7-F12 HydrophobicContact CE1-CZ 3.96Å; L8-F12 HydrophobicContact CD1-CB 4.44Å; L8-F12 HydrophobicContact CD1-CD2 4.48Å; L8-F12 WeakPolarHBondContact O-CB 3.46Å; L8-F12 PolarHBondContact O-N 3.08Å; F12-R16 WeakPolarHBondContact O-CD 3.22Å; F12-R16 PolarHBondContact O-NH1 3.38Å; F12-L159 HydrophobicContact CB-CD1 4.41Å; F12-L159 HydrophobicContact CB-CD2 4.36Å
13V94.1Very high87.4Confident12 Ų1270 Ų707%0.07336%0.355CS..Iπ-helixtrans-79.3-53.4-168-179.20000112.3L8 D9 R16 L17 L106L8-V13 HydrophobicContact CD1-CG2 4.41Å; L8-V13 HydrophobicContact CG-CG2 4.39Å; L8-V13 PolarHBondContact O-N 3.43Å; L8-V13 VanDerWaalsContact O-N 3.11Å; D9-V13 PolarHBondContact O-N 2.88Å; V13-R16 PolarHBondContact O-N 2.96Å; V13-R16 VanDerWaalsContact O-N 3.08Å; V13-L17 HydrophobicContact CG1-CD1 3.77Å; V13-L17 HydrophobicContact CG1-CG 3.99Å; V13-L17 PolarHBondContact O-N 2.91Å; V13-L17 VanDerWaalsContact O-N 3.09Å; V13-L106 HydrophobicContact CG1-CB 4.33Å
14Q94.9Very high88.7Confident74 Ų7465.5 Ų65.535%0.34633%0.329SS..Hα-helixtrans-56.1-45.8-172-174.865.124.500113.4D9 R16 L17 E18D9-Q14 WeakPolarHBondContact O-CB 3.4Å; D9-Q14 PolarHBondContact O-N 3.21Å; Q14-R16 VanDerWaalsContact C-N 3.26Å; Q14-R16 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 2.97Å; Q14-E18 HydrophobicContact CG-CG 4.49Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.45Å; Q14-E18 PolarHBondContact NE2-OE1 3.21Å; Q14-E18 WeakPolarHBondContact O-CG 3.26Å; Q14-E18 PolarHBondContact O-N 2.75Å
15P95.7Very high89.9Confident56 Ų5670.2 Ų70.236%0.36433%0.334SS..Hα-helixtrans-61.6-32.7179.2-24.236000113.3N10 S19N10-P15 WeakPolarHBondContact O-CD 3.25Å; P15-S19 VanDerWaalsContact O-CB 3.3Å; P15-S19 WeakPolarHBondContact O-CB 3.29Å; P15-S19 PolarHBondContact O-N 3.37Å
16R95.9Very high91Very high52 Ų5266.5 Ų66.520%0.19632%0.315CS..Hα-helixtrans-74.8-39.4176.7-80.790.2177.5173.2-2.6112F12 V13 Q14 E18 S19 L20 L106 L159 A162 D163F12-R16 WeakPolarHBondContact O-CD 3.22Å; F12-R16 PolarHBondContact O-NH1 3.38Å; V13-R16 PolarHBondContact O-N 2.96Å; V13-R16 VanDerWaalsContact O-N 3.08Å; Q14-R16 VanDerWaalsContact C-N 3.26Å; Q14-R16 PolarHBondContact O-N 2.96Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-S19 PolarHBondContact O-N 3.31Å; R16-L20 WeakPolarHBondContact O-CB 3.4Å; R16-L20 VanDerWaalsContact O-CG 3.27Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 3.08Å; R16-L106 HydrophobicContact CB-CD1 3.99Å; R16-L159 HydrophobicContact CG-CD2 4.46Å; R16-A162 HydrophobicContact CB-CB 3.8Å; R16-A162 HydrophobicContact CG-CB 3.79Å; R16-D163 WeakPolarHBondContact CG-OD1 3.22Å; R16-D163 IonicContact CZ-OD1 2.87Å; R16-D163 IonicContact CZ-OD2 2.67Å; R16-D163 IonicContact NE-OD1 2.71Å; R16-D163 PolarHBondContact NE-OD1 3.38Å; R16-D163 IonicContact NE-OD2 3.15Å; R16-D163 PolarHBondContact NE-OD2 3.32Å; R16-D163 IonicContact NH2-OD1 3.14Å; R16-D163 IonicContact NH2-OD2 3.24Å; R16-D163 PolarHBondContact NH2-OD2 2.93Å
17L96.6Very high91.9Very high6 Ų667 Ų673%0.03132%0.315CS..Hα-helixtrans-59.6-47.2174-65.3-179000110.6V13 Q14 S19 L20 V21 Y103 L106 K107V13-L17 HydrophobicContact CG1-CD1 3.77Å; V13-L17 HydrophobicContact CG1-CG 3.99Å; V13-L17 PolarHBondContact O-N 2.91Å; V13-L17 VanDerWaalsContact O-N 3.09Å; Q14-L17 PolarHBondContact O-N 2.97Å; L17-S19 PolarHBondContact O-N 2.87Å; L17-L20 PolarHBondContact O-N 2.78Å; L17-V21 WeakPolarHBondContact O-CG2 3.4Å; L17-V21 PolarHBondContact O-N 3.4Å; L17-Y103 HydrophobicContact CB-CD2 4.38Å; L17-Y103 HydrophobicContact CB-CE2 3.72Å; L17-Y103 HydrophobicContact CD2-CD1 4.45Å; L17-Y103 HydrophobicContact CD2-CD2 3.65Å; L17-Y103 HydrophobicContact CD2-CE1 4.45Å; L17-Y103 HydrophobicContact CD2-CE2 3.6Å; L17-Y103 HydrophobicContact CD2-CG 4.09Å; L17-Y103 HydrophobicContact CG-CE2 4.18Å; L17-L106 HydrophobicContact CD2-CB 3.77Å; L17-K107 HydrophobicContact CD1-CB 4.31Å; L17-K107 HydrophobicContact CD1-CD 3.91Å; L17-K107 HydrophobicContact CD2-CB 4.12Å
18E95.4Very high92.6Very high108 Ų10867.9 Ų67.951%0.50532%0.323SS..Hα-helixtrans-62.2-42.5176.6-72172.7-175.400112.3Q14 R16 V21 S22Q14-E18 HydrophobicContact CG-CG 4.49Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.45Å; Q14-E18 PolarHBondContact NE2-OE1 3.21Å; Q14-E18 WeakPolarHBondContact O-CG 3.26Å; Q14-E18 PolarHBondContact O-N 2.75Å; R16-E18 VanDerWaalsContact C-N 3.34Å; E18-V21 PolarHBondContact O-N 3.31Å; E18-S22 WeakPolarHBondContact O-CB 3.33Å; E18-S22 PolarHBondContact O-N 2.97Å; E18-S22 PolarHBondContact O-OG 3.41Å
19S94.3Very high93.1Very high45 Ų4571.7 Ų71.732%0.31534%0.34SS..Hα-helixtrans-60.1-46.8174.6179.90000112P15 R16 L17 V21 S22 R23P15-S19 VanDerWaalsContact O-CB 3.3Å; P15-S19 WeakPolarHBondContact O-CB 3.29Å; P15-S19 PolarHBondContact O-N 3.37Å; R16-S19 PolarHBondContact O-N 3.31Å; L17-S19 PolarHBondContact O-N 2.87Å; S19-V21 VanDerWaalsContact C-N 3.34Å; S19-V21 PolarHBondContact O-N 3.14Å; S19-S22 PolarHBondContact O-OG 2.73Å; S19-R23 VanDerWaalsContact O-CB 3.3Å; S19-R23 WeakPolarHBondContact O-CB 3.49Å; S19-R23 WeakPolarHBondContact O-CD 3.34Å; S19-R23 VanDerWaalsContact O-CG 3.29Å; S19-R23 WeakPolarHBondContact O-CG 3.18Å; S19-R23 PolarHBondContact O-N 2.81Å
20L94.9Very high93.7Very high2 Ų270.3 Ų70.31%0.0133%0.333CS..Hα-helixtrans-62.6-40.4178.6-72.1169.1000111.9R16 L17 S24 R99 I102 Y103 L106 A162 F165R16-L20 WeakPolarHBondContact O-CB 3.4Å; R16-L20 VanDerWaalsContact O-CG 3.27Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 3.08Å; L17-L20 PolarHBondContact O-N 2.78Å; L20-S24 WeakPolarHBondContact O-CB 3.39Å; L20-R99 HydrophobicContact CB-CG 4.4Å; L20-R99 HydrophobicContact CD2-CG 4.25Å; L20-R99 VanDerWaalsContact O-CD 3.25Å; L20-R99 WeakPolarHBondContact O-CD 3.26Å; L20-R99 PolarHBondContact O-NE 2.91Å; L20-I102 HydrophobicContact CD1-CG2 3.95Å; L20-Y103 HydrophobicContact CB-CD2 4.15Å; L20-Y103 HydrophobicContact CD1-CD2 4.29Å; L20-L106 HydrophobicContact CD1-CD1 4.46Å; L20-A162 HydrophobicContact CD1-CB 3.91Å; L20-A162 HydrophobicContact CD2-CB 4.47Å; L20-A162 HydrophobicContact CG-CB 4.29Å; L20-F165 HydrophobicContact CD2-CB 3.92Å; L20-F165 HydrophobicContact CD2-CD1 4.28Å; L20-F165 HydrophobicContact CD2-CD2 4.3Å; L20-F165 HydrophobicContact CD2-CG 3.89Å
21V93.8Very high94.1Very high24 Ų2467.1 Ų67.115%0.14531%0.314CS..Hα-helixtrans-75.8-47.5-178.4169.90000112.1L17 E18 S19 R23 S24 W26 K31 Y103L17-V21 WeakPolarHBondContact O-CG2 3.4Å; L17-V21 PolarHBondContact O-N 3.4Å; E18-V21 PolarHBondContact O-N 3.31Å; S19-V21 VanDerWaalsContact C-N 3.34Å; S19-V21 PolarHBondContact O-N 3.14Å; V21-R23 PolarHBondContact O-N 3.32Å; V21-S24 WeakPolarHBondContact O-CA 3.49Å; V21-S24 VanDerWaalsContact O-CB 3.3Å; V21-S24 WeakPolarHBondContact O-CB 3.03Å; V21-S24 PolarHBondContact O-N 3.16Å; V21-S24 PolarHBondContact O-OG 2.79Å; V21-W26 HydrophobicContact CG2-CE3 4.42Å; V21-W26 HydrophobicContact CG2-CZ3 4.41Å; V21-K31 HydrophobicContact CG1-CD 3.77Å; V21-Y103 HydrophobicContact CG2-CD2 3.86Å; V21-Y103 HydrophobicContact CG2-CE2 3.29Å
22S91.8Very high94.4Very high93 Ų9364.7 Ų64.765%0.6531%0.309SS*.Hα-helixtrans-61.3-34.5-178.457.10000112.5E18 S19 S24E18-S22 WeakPolarHBondContact O-CB 3.33Å; E18-S22 PolarHBondContact O-N 2.97Å; E18-S22 PolarHBondContact O-OG 3.41Å; S19-S22 PolarHBondContact O-OG 2.73Å; S22-S24 PolarHBondContact O-N 3.28Å
23R89.9Confident94.6Very high96 Ų9663.6 Ų63.636%0.36230%0.303SS..THydrogen-bonded Turntrans-83.14175.1-66173.660-162.4-6113.6S19 V21 R99 F165 E167S19-R23 VanDerWaalsContact O-CB 3.3Å; S19-R23 WeakPolarHBondContact O-CB 3.49Å; S19-R23 WeakPolarHBondContact O-CD 3.34Å; S19-R23 VanDerWaalsContact O-CG 3.29Å; S19-R23 WeakPolarHBondContact O-CG 3.18Å; S19-R23 PolarHBondContact O-N 2.81Å; V21-R23 PolarHBondContact O-N 3.32Å; R23-R99 PolarHBondContact O-NH2 3.23Å; R23-F165 PolarHBondContact NH1-O 3.24Å; R23-F165 PolarHBondContact NH2-O 3.5Å; R23-E167 WeakPolarHBondContact CB-OE1 3.11Å; R23-E167 IonicContact CZ-OE1 3.88Å; R23-E167 IonicContact NE-OE1 3.01Å; R23-E167 PolarHBondContact NE-OE1 2.67Å; R23-E167 IonicContact NH2-OE1 3.68Å; R23-E167 PolarHBondContact NH2-OE1 3.34Å
24S90.6Very high94.7Very high17 Ų1763 Ų6312%0.11930%0.299CS..SBendtrans-103.4157.7176.685.10000111L20 V21 S22 W26L20-S24 WeakPolarHBondContact O-CB 3.39Å; V21-S24 WeakPolarHBondContact O-CA 3.49Å; V21-S24 VanDerWaalsContact O-CB 3.3Å; V21-S24 WeakPolarHBondContact O-CB 3.03Å; V21-S24 PolarHBondContact O-N 3.16Å; V21-S24 PolarHBondContact O-OG 2.79Å; S22-S24 PolarHBondContact O-N 3.28Å; S24-W26 VanDerWaalsContact C-N 3.3Å; S24-W26 WeakPolarHBondContact OG-CB 3.25Å; S24-W26 PolarHBondContact OG-N 2.92Å
25R94Very high94.6Very high177 Ų17762.5 Ų62.567%0.66830%0.297SS*.  trans-98.526.5164.9-67.7177-178-104.13.3111.1K27 C55R25-K27 PolarHBondContact O-N 2.91Å; R25-C55 HydrophobicContact CB-CB 3.96Å; R25-C55 WeakPolarHBondContact O-CA 3.28Å; R25-C55 WeakPolarHBondContact O-CB 3.46Å
26W96.3Very high94.4Very high11 Ų1163.4 Ų63.44%0.04230%0.298CS..  trans-60.8132.3-176.7-73.7-12000110.9V21 S24 Y30 K31 A54 R99 T100 Y103V21-W26 HydrophobicContact CG2-CE3 4.42Å; V21-W26 HydrophobicContact CG2-CZ3 4.41Å; S24-W26 VanDerWaalsContact C-N 3.3Å; S24-W26 WeakPolarHBondContact OG-CB 3.25Å; S24-W26 PolarHBondContact OG-N 2.92Å; W26-Y30 HydrophobicContact CB-CD1 4.28Å; W26-Y30 AromaticContact CD2-CD1 3.84Å; W26-Y30 HydrophobicContact CD2-CD1 3.84Å; W26-Y30 AromaticContact CD2-CE1 3.95Å; W26-Y30 HydrophobicContact CD2-CE1 3.95Å; W26-Y30 AromaticContact CE2-CE1 3.72Å; W26-Y30 HydrophobicContact CE3-CD1 4.29Å; W26-Y30 HydrophobicContact CE3-CE1 4.42Å; W26-Y30 AromaticContact CG-CD1 3.85Å; W26-Y30 HydrophobicContact CG-CD1 3.85Å; W26-Y30 HydrophobicContact CG-CE1 4.29Å; W26-Y30 HydrophobicContact CZ2-CE1 4.02Å; W26-Y30 AromaticContact NE1-CE1 3.92Å; W26-K31 HydrophobicContact CB-CG 3.77Å; W26-K31 HydrophobicContact CE3-CG 4.19Å; W26-K31 WeakPolarHBondContact O-CE 3.39Å; W26-A54 CarbonylContact C-O 3.56Å; W26-A54 VanDerWaalsContact CA-O 3.26Å; W26-A54 WeakPolarHBondContact CA-O 3.47Å; W26-R99 HydrophobicContact CH2-CB 4.28Å; W26-R99 HydrophobicContact CH2-CG 3.72Å; W26-R99 HydrophobicContact CZ2-CB 3.71Å; W26-R99 HydrophobicContact CZ2-CG 3.51Å; W26-T100 WeakPolarHBondContact CZ2-OG1 3.39Å; W26-Y103 HydrophobicContact CH2-CG 4.25Å; W26-Y103 HydrophobicContact CZ3-CD1 4.43Å; W26-Y103 HydrophobicContact CZ3-CD2 4.27Å; W26-Y103 HydrophobicContact CZ3-CG 4.06Å
27K96.8Very high94.2Very high115 Ų11561.5 Ų61.550%0.529%0.291SS..  trans-65146.9171.4-64.6-176.3179.1-175.80109R25 Q29 Y30 K31 A54R25-K27 PolarHBondContact O-N 2.91Å; K27-Q29 VanDerWaalsContact C-N 3.3Å; K27-Q29 PolarHBondContact O-N 2.79Å; K27-Y30 WeakPolarHBondContact O-CA 3.45Å; K27-Y30 WeakPolarHBondContact O-CB 3.34Å; K27-Y30 PolarHBondContact O-N 3.38Å; K27-K31 PolarHBondContact O-N 3.19Å; K27-K31 VanDerWaalsContact O-N 3.1Å; K27-A54 PolarHBondContact N-O 3.26Å
28E96.1Very high94.1Very high128 Ų12861.3 Ų61.360%0.59829%0.29SS*.Hα-helixtrans-58-44.1-175.9-158.254.7-145.500112.3Y30 K31 E32E28-Y30 VanDerWaalsContact C-N 3.25Å; E28-Y30 PolarHBondContact O-N 3.49Å; E28-K31 WeakPolarHBondContact O-CB 3.4Å; E28-K31 PolarHBondContact O-N 3.39Å; E28-K31 VanDerWaalsContact O-N 3.1Å; E28-K31 IonicContact OE2-NZ 3.64Å; E28-K31 PolarHBondContact OE2-NZ 3.38Å; E28-E32 PolarHBondContact O-N 3.15Å
29Q95.2Very high94.1Very high117 Ų11759.1 Ų59.155%0.54728%0.282SS..Hα-helixtrans-56.7-38.1174.1-171.2-176.313.400112.5K27 R33K27-Q29 VanDerWaalsContact C-N 3.3Å; K27-Q29 PolarHBondContact O-N 2.79Å; Q29-R33 WeakPolarHBondContact O-CG 3.17Å; Q29-R33 PolarHBondContact O-N 3.48Å
30Y96.9Very high94.2Very high4 Ų458.8 Ų58.82%0.01628%0.278CS..Hα-helixtrans-69.6-41.4178.4-174.8-99.9000111.5W26 K27 E28 R33 V34 A54 F90 V92 T100W26-Y30 HydrophobicContact CB-CD1 4.28Å; W26-Y30 AromaticContact CD2-CD1 3.84Å; W26-Y30 HydrophobicContact CD2-CD1 3.84Å; W26-Y30 AromaticContact CD2-CE1 3.95Å; W26-Y30 HydrophobicContact CD2-CE1 3.95Å; W26-Y30 AromaticContact CE2-CE1 3.72Å; W26-Y30 HydrophobicContact CE3-CD1 4.29Å; W26-Y30 HydrophobicContact CE3-CE1 4.42Å; W26-Y30 AromaticContact CG-CD1 3.85Å; W26-Y30 HydrophobicContact CG-CD1 3.85Å; W26-Y30 HydrophobicContact CG-CE1 4.29Å; W26-Y30 HydrophobicContact CZ2-CE1 4.02Å; W26-Y30 AromaticContact NE1-CE1 3.92Å; K27-Y30 WeakPolarHBondContact O-CA 3.45Å; K27-Y30 WeakPolarHBondContact O-CB 3.34Å; K27-Y30 PolarHBondContact O-N 3.38Å; E28-Y30 VanDerWaalsContact C-N 3.25Å; E28-Y30 PolarHBondContact O-N 3.49Å; Y30-R33 PolarHBondContact O-N 2.99Å; Y30-V34 HydrophobicContact CD1-CG2 3.98Å; Y30-V34 HydrophobicContact CE1-CG2 3.54Å; Y30-V34 HydrophobicContact CE2-CG2 4.22Å; Y30-V34 HydrophobicContact CG-CG2 4.5Å; Y30-V34 WeakPolarHBondContact O-CG2 3.36Å; Y30-V34 PolarHBondContact O-N 2.83Å; Y30-A54 HydrophobicContact CD1-CB 3.61Å; Y30-A54 HydrophobicContact CD2-CB 3.94Å; Y30-A54 HydrophobicContact CE1-CB 3.5Å; Y30-A54 VanDerWaalsContact CE1-CB 3.5Å; Y30-A54 HydrophobicContact CE2-CB 3.85Å; Y30-A54 HydrophobicContact CG-CB 3.82Å; Y30-F90 HydrophobicContact CD2-CB 4.41Å; Y30-F90 AromaticContact CD2-CD1 3.85Å; Y30-F90 HydrophobicContact CD2-CD1 3.85Å; Y30-F90 HydrophobicContact CD2-CD2 4.11Å; Y30-F90 HydrophobicContact CD2-CE1 4.1Å; Y30-F90 HydrophobicContact CD2-CE2 4.34Å; Y30-F90 AromaticContact CD2-CG 3.86Å; Y30-F90 HydrophobicContact CD2-CG 3.86Å; Y30-F90 HydrophobicContact CD2-CZ 4.33Å; Y30-F90 HydrophobicContact CE2-CB 3.82Å; Y30-F90 HydrophobicContact CE2-CD1 4.1Å; Y30-F90 AromaticContact CE2-CD2 3.76Å; Y30-F90 HydrophobicContact CE2-CD2 3.76Å; Y30-F90 HydrophobicContact CE2-CE2 4.34Å; Y30-F90 AromaticContact CE2-CG 3.62Å; Y30-F90 HydrophobicContact CE2-CG 3.62Å; Y30-V92 HydrophobicContact CE2-CG1 4.33Å; Y30-T100 WeakPolarHBondContact CE1-OG1 3.37Å; Y30-T100 PolarHBondContact OH-OG1 3.11Å
31K96.1Very high94.3Very high38 Ų3860.8 Ų60.817%0.16529%0.292CS..Hα-helixtrans-60.1-49.9177.3-60.7179.9-164.4157.90111.2V21 W26 K27 E28 R33 V34 E35V21-K31 HydrophobicContact CG1-CD 3.77Å; W26-K31 HydrophobicContact CB-CG 3.77Å; W26-K31 HydrophobicContact CE3-CG 4.19Å; W26-K31 WeakPolarHBondContact O-CE 3.39Å; K27-K31 PolarHBondContact O-N 3.19Å; K27-K31 VanDerWaalsContact O-N 3.1Å; E28-K31 WeakPolarHBondContact O-CB 3.4Å; E28-K31 PolarHBondContact O-N 3.39Å; E28-K31 VanDerWaalsContact O-N 3.1Å; E28-K31 IonicContact OE2-NZ 3.64Å; E28-K31 PolarHBondContact OE2-NZ 3.38Å; K31-R33 VanDerWaalsContact C-N 3.26Å; K31-R33 PolarHBondContact O-N 3.47Å; K31-V34 PolarHBondContact O-N 3.21Å; K31-V34 VanDerWaalsContact O-N 3.11Å; K31-E35 WeakPolarHBondContact O-CB 3.16Å; K31-E35 WeakPolarHBondContact O-CG 3.27Å; K31-E35 PolarHBondContact O-N 2.96Å
32E93.9Very high94.5Very high104 Ų10460.8 Ų60.849%0.48629%0.291SS..Hα-helixtrans-55.1-43.9179.8-176.7-172.2-179.100111.2E28 E35 N36E28-E32 PolarHBondContact O-N 3.15Å; E32-E35 PolarHBondContact O-N 3.34Å; E32-N36 WeakPolarHBondContact CG-ND2 3.44Å; E32-N36 WeakPolarHBondContact O-CB 3.46Å; E32-N36 VanDerWaalsContact O-CG 3.3Å; E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 2.76Å
33R94.4Very high94.8Very high57 Ų5760.8 Ų60.822%0.21528%0.28CS..Hα-helixtrans-67.2-49.5176.8-56.7-63.1171.784.8-5.5110.6Q29 Y30 K31 E35 N36 Y37 L67 F90Q29-R33 WeakPolarHBondContact O-CG 3.17Å; Q29-R33 PolarHBondContact O-N 3.48Å; Y30-R33 PolarHBondContact O-N 2.99Å; K31-R33 VanDerWaalsContact C-N 3.26Å; K31-R33 PolarHBondContact O-N 3.47Å; R33-E35 PolarHBondContact O-N 3.03Å; R33-E35 VanDerWaalsContact O-N 3.11Å; R33-N36 PolarHBondContact O-N 2.82Å; R33-N36 VanDerWaalsContact O-N 3.14Å; R33-Y37 HydrophobicContact CB-CD2 4.25Å; R33-Y37 HydrophobicContact CB-CE2 4.12Å; R33-Y37 HydrophobicContact CG-CE2 4.44Å; R33-Y37 VanDerWaalsContact O-CD2 3.23Å; R33-Y37 WeakPolarHBondContact O-CD2 3.39Å; R33-Y37 PolarHBondContact O-N 3.31Å; R33-L67 HydrophobicContact CB-CD1 3.73Å; R33-F90 HydrophobicContact CB-CE2 4.34Å; R33-F90 HydrophobicContact CB-CZ 4.28Å; R33-F90 HydrophobicContact CG-CZ 4.16Å
34V95.4Very high95.1Very high0 Ų062.3 Ų62.30%030%0.295CS..Hα-helixtrans-58.9-29.2179.8172.40000112.6Y30 K31 L67 T100 Y103 H108Y30-V34 HydrophobicContact CD1-CG2 3.98Å; Y30-V34 HydrophobicContact CE1-CG2 3.54Å; Y30-V34 HydrophobicContact CE2-CG2 4.22Å; Y30-V34 HydrophobicContact CG-CG2 4.5Å; Y30-V34 WeakPolarHBondContact O-CG2 3.36Å; Y30-V34 PolarHBondContact O-N 2.83Å; K31-V34 PolarHBondContact O-N 3.21Å; K31-V34 VanDerWaalsContact O-N 3.11Å; V34-L67 HydrophobicContact CG2-CD1 3.94Å; V34-L67 HydrophobicContact CG2-CD2 4.5Å; V34-T100 HydrophobicContact CG1-CG2 4.09Å; V34-T100 HydrophobicContact CG2-CG2 3.88Å; V34-Y103 HydrophobicContact CG1-CD1 3.51Å; V34-Y103 HydrophobicContact CG1-CE1 3.99Å; V34-Y103 HydrophobicContact CG1-CG 4.45Å; V34-H108 PolarHBondContact O-NE2 3.16Å
35E93.5Very high95.3Very high63 Ų6364.2 Ų64.229%0.29430%0.302SS..Hα-helixtrans-79.4-27.5178.5-77-178.7-165.500115.3K31 E32 R33 Y103 H108K31-E35 WeakPolarHBondContact O-CB 3.16Å; K31-E35 WeakPolarHBondContact O-CG 3.27Å; K31-E35 PolarHBondContact O-N 2.96Å; E32-E35 PolarHBondContact O-N 3.34Å; R33-E35 PolarHBondContact O-N 3.03Å; R33-E35 VanDerWaalsContact O-N 3.11Å; E35-Y103 VanDerWaalsContact CD-OH 3.27Å; E35-Y103 HydrophobicContact CG-CE1 3.68Å; E35-Y103 VanDerWaalsContact CG-OH 3.23Å; E35-Y103 WeakPolarHBondContact CG-OH 3.31Å; E35-Y103 PolarHBondContact OE1-OH 3.14Å; E35-H108 PolarHBondContact O-CE1 2.91Å; E35-H108 VanDerWaalsContact O-CE1 3.22Å
36N90.4Very high95.3Very high74 Ų7462.8 Ų62.840%0.39631%0.307SS..Hα-helixtrans-96.5-37.8-170-78.2-35.8000113E32 R33 S38 L71E32-N36 WeakPolarHBondContact CG-ND2 3.44Å; E32-N36 WeakPolarHBondContact O-CB 3.46Å; E32-N36 VanDerWaalsContact O-CG 3.3Å; E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 2.76Å; R33-N36 PolarHBondContact O-N 2.82Å; R33-N36 VanDerWaalsContact O-N 3.14Å; N36-S38 PolarHBondContact O-N 2.7Å; N36-L71 HydrophobicContact CB-CD2 3.76Å; N36-L71 VanDerWaalsContact O-CD2 3.3Å; N36-L71 WeakPolarHBondContact O-CD2 3.3Å
37Y92.9Very high95.1Very high13 Ų1365 Ų655%0.05132%0.323CS..  trans-80.7120.4-179.5-69.3-94.7000110.6R33 N39 L67 S68 D86 Q88 H104 H108R33-Y37 HydrophobicContact CB-CD2 4.25Å; R33-Y37 HydrophobicContact CB-CE2 4.12Å; R33-Y37 HydrophobicContact CG-CE2 4.44Å; R33-Y37 VanDerWaalsContact O-CD2 3.23Å; R33-Y37 WeakPolarHBondContact O-CD2 3.39Å; R33-Y37 PolarHBondContact O-N 3.31Å; Y37-N39 PolarHBondContact O-N 2.97Å; Y37-L67 HydrophobicContact CD1-CB 4.38Å; Y37-L67 HydrophobicContact CD2-CB 4.09Å; Y37-L67 HydrophobicContact CD2-CD1 4.35Å; Y37-L67 HydrophobicContact CG-CB 3.82Å; Y37-S68 WeakPolarHBondContact CB-O 3.22Å; Y37-D86 HydrophobicContact CE1-CB 4.16Å; Y37-D86 WeakPolarHBondContact CE1-OD2 3.11Å; Y37-D86 VanDerWaalsContact CZ-OD2 3.22Å; Y37-D86 PolarHBondContact OH-OD2 3.09Å; Y37-Q88 HydrophobicContact CE1-CG 4.24Å; Y37-Q88 HydrophobicContact CE2-CG 3.88Å; Y37-Q88 WeakPolarHBondContact OH-CG 3.46Å; Y37-H104 PolarHBondContact O-NE2 3.47Å; Y37-H108 PolarHBondContact O-CE1 3.3Å; Y37-H108 PolarHBondContact O-NE2 3.35Å
38S93.3Very high95Very high1 Ų163.6 Ų63.61%0.00732%0.318CS..SBendtrans-70-12.8-175.155.70000115.2N36 S68 E70 H104 K112N36-S38 PolarHBondContact O-N 2.7Å; S38-S68 PolarHBondContact N-O 3.19Å; S38-E70 WeakPolarHBondContact CB-O 2.94Å; S38-E70 PolarHBondContact OG-N 2.97Å; S38-E70 PolarHBondContact OG-O 3.4Å; S38-H104 VanDerWaalsContact C-CE1 3.46Å; S38-H104 PolarHBondContact O-CE1 2.96Å; S38-K112 WeakPolarHBondContact O-CE 3.27Å; S38-K112 PolarHBondContact O-NZ 3.19Å
39N94.8Very high94.9Very high62 Ų6263 Ų6333%0.33232%0.319SS..EExtended strand (participates in β ladder)trans-124.6143.9179.5-65-45.6000112.9Y37 L67 S68 H104Y37-N39 PolarHBondContact O-N 2.97Å; N39-L67 WeakPolarHBondContact O-CA 3.24Å; N39-S68 WeakPolarHBondContact CA-O 3.46Å; N39-S68 VanDerWaalsContact CB-O 3.31Å; N39-S68 WeakPolarHBondContact CB-O 3.18Å; N39-S68 PolarHBondContact N-O 3.26Å; N39-S68 PolarHBondContact O-N 3.38Å; N39-H104 VanDerWaalsContact C-CE1 3.43Å
40V97.2Very high94.9Very high39 Ų3958.8 Ų58.824%0.23630%0.302CS..EExtended strand (participates in β ladder)trans-134.8135.7173.970.30000110.1I42 V65 H66 L67 T100 H104V40-I42 HydrophobicContact CG2-CD1 4.38Å; V40-I42 HydrophobicContact CG2-CG1 3.92Å; V40-V65 HydrophobicContact CG2-CG1 3.87Å; V40-H66 CarbonylContact C-O 3.56Å; V40-H66 VanDerWaalsContact CA-O 3.31Å; V40-H66 WeakPolarHBondContact CA-O 3.41Å; V40-L67 HydrophobicContact CB-CD2 3.96Å; V40-L67 HydrophobicContact CG2-CD2 3.71Å; V40-T100 HydrophobicContact CG2-CG2 4.36Å; V40-H104 HydrophobicContact CB-CB 4.42Å; V40-H104 HydrophobicContact CG1-CB 3.86Å; V40-H104 VanDerWaalsContact CG1-CG 3.43Å; V40-H104 WeakPolarHBondContact CG1-ND1 3.42Å; V40-H104 PolarHBondContact N-CE1 2.83Å
41S97.4Very high94.9Very high44 Ų4461.8 Ų61.831%0.30832%0.324SS..EExtended strand (participates in β ladder)trans-125.1139.8162.371.80000109.7H43 H66S41-H43 WeakPolarHBondContact CB-NE2 3.37Å; S41-H43 PolarHBondContact OG-NE2 3.47Å; S41-H66 PolarHBondContact N-O 3.26Å; S41-H66 PolarHBondContact O-N 2.71Å; S41-H66 WeakPolarHBondContact OG-CB 3.3Å
42I98Very high94.9Very high24 Ų2460 Ų6012%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-126115.7-177-53.4-174.9000108V40 Y63 S64 V65 A97 R101V40-I42 HydrophobicContact CG2-CD1 4.38Å; V40-I42 HydrophobicContact CG2-CG1 3.92Å; I42-Y63 HydrophobicContact CG2-CD1 3.96Å; I42-Y63 HydrophobicContact CG2-CG 4.4Å; I42-S64 WeakPolarHBondContact CA-O 3.45Å; I42-V65 HydrophobicContact CD1-CG2 4.25Å; I42-V65 HydrophobicContact CG1-CG2 4.13Å; I42-V65 HydrophobicContact CG2-CG2 4.29Å; I42-A97 VanDerWaalsContact CD1-O 3.25Å; I42-A97 WeakPolarHBondContact CD1-O 3.3Å; I42-A97 HydrophobicContact CG2-CB 4.07Å; I42-R101 HydrophobicContact CD1-CB 3.85Å
43H97.3Very high95Very high92 Ų9259.4 Ų59.443%0.42631%0.313SS..EExtended strand (participates in β ladder)trans-112.8148.4-176.2-56.1-72.2000110.7S41 Y63 S64 H66S41-H43 WeakPolarHBondContact CB-NE2 3.37Å; S41-H43 PolarHBondContact OG-NE2 3.47Å; H43-Y63 CarbonylContact O-C 3.57Å; H43-Y63 VanDerWaalsContact O-CA 3.31Å; H43-Y63 WeakPolarHBondContact O-CA 3.21Å; H43-S64 PolarHBondContact N-O 3.16Å; H43-S64 PolarHBondContact O-N 3.46Å; H43-H66 AromaticContact CD2-CD2 3.63Å; H43-H66 AromaticContact CD2-NE2 3.8Å
44L96.8Very high95.2Very high129 Ų12956.7 Ų56.768%0.67530%0.303SS*.EExtended strand (participates in β ladder)trans-72139.3164.6-78.5156.6000108.5K62 Y63L44-K62 WeakPolarHBondContact CA-O 3.44Å; L44-K62 HydrophobicContact CD2-CD 4.36Å; L44-K62 HydrophobicContact CD2-CG 4.38Å; L44-Y63 HydrophobicContact CD2-CD1 4.16Å; L44-Y63 HydrophobicContact CD2-CE1 3.65Å; L44-Y63 HydrophobicContact CG-CD1 4.44Å; L44-Y63 HydrophobicContact CG-CE1 4.05Å
45K94.3Very high95.2Very high57 Ų5757.4 Ų57.425%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-128.2170.717270.6166.1-141.2169.20110.1P47 E48 K62 T91K45-P47 VanDerWaalsContact O-CD 3.22Å; K45-P47 WeakPolarHBondContact O-CD 3.41Å; K45-P47 VanDerWaalsContact O-N 3.11Å; K45-E48 VanDerWaalsContact NZ-CD 3.29Å; K45-E48 IonicContact NZ-OE1 3.75Å; K45-E48 PolarHBondContact NZ-OE1 3.48Å; K45-E48 IonicContact NZ-OE2 3.89Å; K45-K62 PolarHBondContact N-O 2.94Å; K45-T91 HydrophobicContact CD-CG2 4.33Å; K45-T91 VanDerWaalsContact CE-CG2 3.46Å; K45-T91 PolarHBondContact NZ-OG1 3.3Å
46N93.8Very high95.2Very high147 Ų14755.7 Ų55.779%0.78631%0.307SS*.EExtended strand (participates in β ladder)trans-54.7118.3169.1-72.1-16.4000109
47P92.6Very high95.4Very high57 Ų5755 Ų5537%0.3730%0.303SS..EExtended strand (participates in β ladder)trans-69.6143.6-175.7-21.533.9000112K45 Y60 C61 K62K45-P47 VanDerWaalsContact O-CD 3.22Å; K45-P47 WeakPolarHBondContact O-CD 3.41Å; K45-P47 VanDerWaalsContact O-N 3.11Å; P47-Y60 HydrophobicContact CB-CD1 4.14Å; P47-Y60 HydrophobicContact CB-CD2 4.12Å; P47-Y60 HydrophobicContact CB-CE1 3.4Å; P47-Y60 VanDerWaalsContact CB-CE1 3.4Å; P47-Y60 HydrophobicContact CB-CE2 3.39Å; P47-Y60 HydrophobicContact CB-CG 4.48Å; P47-Y60 WeakPolarHBondContact CB-OH 3.38Å; P47-Y60 HydrophobicContact CG-CE1 3.9Å; P47-Y60 HydrophobicContact CG-CE2 4.45Å; P47-Y60 VanDerWaalsContact CG-OH 3.27Å; P47-Y60 WeakPolarHBondContact CG-OH 3.34Å; P47-C61 WeakPolarHBondContact CA-O 3.49Å; P47-K62 HydrophobicContact CB-CB 3.8Å; P47-K62 HydrophobicContact CG-CB 3.74Å
48E94.1Very high95.5Very high86 Ų8660.5 Ų60.540%0.40233%0.329SS..EExtended strand (participates in β ladder)trans-141.1147.4177.563.2-173-17500110.2K45 C50 C61K45-E48 VanDerWaalsContact NZ-CD 3.29Å; K45-E48 IonicContact NZ-OE1 3.75Å; K45-E48 PolarHBondContact NZ-OE1 3.48Å; K45-E48 IonicContact NZ-OE2 3.89Å; E48-C50 HydrophobicContact CG-CB 4.03Å; E48-C50 PolarHBondContact O-N 3.13Å; E48-C50 PolarHBondContact OE1-SG 3.27Å; E48-C50 VanDerWaalsContact OE1-SG 3.34Å; E48-C61 PolarHBondContact N-O 3.41Å; E48-C61 PolarHBondContact O-N 3.27Å
49N95.1Very high95.4Very high116 Ų11663 Ų6362%0.6234%0.338SS*.EExtended strand (participates in β ladder)trans-80.8101.1169.1-72.1-43.9000108H58N49-H58 PolarHBondContact O-CE1 2.99Å
50C94.6Very high95.3Very high27 Ų2766.3 Ų66.318%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-145.2170.7-178.975.30000111E48 C52 H58 R59E48-C50 HydrophobicContact CG-CB 4.03Å; E48-C50 PolarHBondContact O-N 3.13Å; E48-C50 PolarHBondContact OE1-SG 3.27Å; E48-C50 VanDerWaalsContact OE1-SG 3.34Å; C50-C52 PolarHBondContact O-N 3.27Å; C50-H58 WeakPolarHBondContact O-CA 3.42Å; C50-R59 PolarHBondContact N-O 2.95Å; C50-R59 VanDerWaalsContact N-O 3.16Å; C50-R59 PolarHBondContact O-N 3.18Å
51S96.2Very high95.3Very high68 Ų6864.5 Ų64.548%0.47634%0.336SS..EExtended strand (participates in β ladder)trans-72.2116.8173.9-60.50000109.8Q53S51-Q53 PolarHBondContact O-N 3.4Å; S51-Q53 VanDerWaalsContact O-N 3.16Å
52C96.7Very high95.3Very high0 Ų065.4 Ų65.40%033%0.334CS..  trans-55.9120.8177.1177.70000109.9C50 A54 C55 G56 L57 R59 G93C50-C52 PolarHBondContact O-N 3.27Å; C52-A54 PolarHBondContact O-N 2.95Å; C52-C55 PolarHBondContact O-N 2.9Å; C52-G56 VanDerWaalsContact O-CA 3.27Å; C52-G56 WeakPolarHBondContact O-CA 3.33Å; C52-G56 PolarHBondContact O-N 3.18Å; C52-L57 WeakPolarHBondContact CB-O 3.43Å; C52-L57 PolarHBondContact N-O 2.94Å; C52-R59 HydrophobicContact CB-CG 4.13Å; C52-G93 PolarHBondContact SG-N 3.41Å
53Q97.3Very high95.3Very high92 Ų9266.5 Ų66.543%0.4334%0.337SS..THydrogen-bonded Turntrans-68.3-22.1-174.8-65.4-178.8-83.600112.5S51 F90 T91S51-Q53 PolarHBondContact O-N 3.4Å; S51-Q53 VanDerWaalsContact O-N 3.16Å; Q53-F90 HydrophobicContact CB-CB 4.34Å; Q53-F90 HydrophobicContact CB-CD1 4.1Å; Q53-T91 WeakPolarHBondContact CB-O 3.45Å; Q53-T91 PolarHBondContact N-O 3.23Å; Q53-T91 VanDerWaalsContact OE1-CB 3.3Å
54A97.1Very high95.3Very high0 Ų062.8 Ų62.80%032%0.322CS..THydrogen-bonded Turntrans-73.7-48.7174.400000112.8W26 K27 Y30 C52 V92 C96W26-A54 CarbonylContact C-O 3.56Å; W26-A54 VanDerWaalsContact CA-O 3.26Å; W26-A54 WeakPolarHBondContact CA-O 3.47Å; K27-A54 PolarHBondContact N-O 3.26Å; Y30-A54 HydrophobicContact CD1-CB 3.61Å; Y30-A54 HydrophobicContact CD2-CB 3.94Å; Y30-A54 HydrophobicContact CE1-CB 3.5Å; Y30-A54 VanDerWaalsContact CE1-CB 3.5Å; Y30-A54 HydrophobicContact CE2-CB 3.85Å; Y30-A54 HydrophobicContact CG-CB 3.82Å; C52-A54 PolarHBondContact O-N 2.95Å; A54-V92 HydrophobicContact CB-CB 4.45Å; A54-V92 HydrophobicContact CB-CG1 3.69Å; A54-C96 HydrophobicContact CB-CB 3.78Å
55C95.5Very high95.4Very high14 Ų1456.7 Ų56.710%0.09529%0.29CS..THydrogen-bonded Turntrans-115.9-2.3-170.669.60000116.2R25 C52 L57R25-C55 HydrophobicContact CB-CB 3.96Å; R25-C55 WeakPolarHBondContact O-CA 3.28Å; R25-C55 WeakPolarHBondContact O-CB 3.46Å; C52-C55 PolarHBondContact O-N 2.9Å; C55-L57 PolarHBondContact O-N 3.43Å; C55-L57 VanDerWaalsContact O-N 3.11Å
56G94.8Very high95.5Very high28 Ų2857 Ų5729%0.28929%0.292SS..  trans74.7-13.8-178.600000115.9C52C52-G56 VanDerWaalsContact O-CA 3.27Å; C52-G56 WeakPolarHBondContact O-CA 3.33Å; C52-G56 PolarHBondContact O-N 3.18Å
57L93.8Very high95.7Very high58 Ų5850 Ų5030%0.30425%0.254SS..  trans-74133.9-177.3-65.4177.7000111.8C52 C55 R59 F170C52-L57 WeakPolarHBondContact CB-O 3.43Å; C52-L57 PolarHBondContact N-O 2.94Å; C55-L57 PolarHBondContact O-N 3.43Å; C55-L57 VanDerWaalsContact O-N 3.11Å; L57-R59 PolarHBondContact O-N 2.94Å; L57-F170 HydrophobicContact CD1-CZ 4.5Å
58H94.4Very high95.8Very high130 Ų13048.9 Ų48.960%0.60225%0.248SC*.EExtended strand (participates in β ladder)trans-70122.7174.2-161.284.5000110.5N49 C50N49-H58 PolarHBondContact O-CE1 2.99Å; C50-H58 WeakPolarHBondContact O-CA 3.42Å
59R91.8Very high95.6Very high54 Ų5445.2 Ų45.220%0.20423%0.234CC..EExtended strand (participates in β ladder)trans-164.4171.5-175.763.7-173.963.8-151.7-9.7111.3C50 C52 L57 C61C50-R59 PolarHBondContact N-O 2.95Å; C50-R59 VanDerWaalsContact N-O 3.16Å; C50-R59 PolarHBondContact O-N 3.18Å; C52-R59 HydrophobicContact CB-CG 4.13Å; L57-R59 PolarHBondContact O-N 2.94Å; R59-C61 PolarHBondContact O-N 3Å; R59-C61 PolarHBondContact O-SG 3.45Å; R59-C61 VanDerWaalsContact O-SG 3.41Å
60Y93.6Very high95.1Very high131 Ų13142.6 Ų42.651%0.51422%0.218SC..EExtended strand (participates in β ladder)trans-67.2102170.9-164.6-114.4000111.2P47 K62P47-Y60 HydrophobicContact CB-CD1 4.14Å; P47-Y60 HydrophobicContact CB-CD2 4.12Å; P47-Y60 HydrophobicContact CB-CE1 3.4Å; P47-Y60 VanDerWaalsContact CB-CE1 3.4Å; P47-Y60 HydrophobicContact CB-CE2 3.39Å; P47-Y60 HydrophobicContact CB-CG 4.48Å; P47-Y60 WeakPolarHBondContact CB-OH 3.38Å; P47-Y60 HydrophobicContact CG-CE1 3.9Å; P47-Y60 HydrophobicContact CG-CE2 4.45Å; P47-Y60 VanDerWaalsContact CG-OH 3.27Å; P47-Y60 WeakPolarHBondContact CG-OH 3.34Å; Y60-K62 HydrophobicContact CE1-CD 4.4Å
61C96.3Very high94.9Very high0 Ų043.3 Ų43.30%022%0.219CC..EExtended strand (participates in β ladder)trans-100.1113.6-178.6-65.80000110P47 E48 R59 T91P47-C61 WeakPolarHBondContact CA-O 3.49Å; E48-C61 PolarHBondContact N-O 3.41Å; E48-C61 PolarHBondContact O-N 3.27Å; R59-C61 PolarHBondContact O-N 3Å; R59-C61 PolarHBondContact O-SG 3.45Å; R59-C61 VanDerWaalsContact O-SG 3.41Å; C61-T91 HydrophobicContact CB-CG2 3.54Å
62K96.9Very high94.6Very high63 Ų6341.5 Ų41.527%0.27420%0.202SC..EExtended strand (participates in β ladder)trans-122.43.8-176.270.4179.9-176.7178.60114.6L44 K45 P47 Y60 V92L44-K62 WeakPolarHBondContact CA-O 3.44Å; L44-K62 HydrophobicContact CD2-CD 4.36Å; L44-K62 HydrophobicContact CD2-CG 4.38Å; K45-K62 PolarHBondContact N-O 2.94Å; P47-K62 HydrophobicContact CB-CB 3.8Å; P47-K62 HydrophobicContact CG-CB 3.74Å; Y60-K62 HydrophobicContact CE1-CD 4.4Å; K62-V92 PolarHBondContact N-O 2.86Å
63Y97.9Very high94.2Very high48 Ų4845.2 Ų45.219%0.18822%0.222CC..EExtended strand (participates in β ladder)trans-118.1140.2-178.8-64.7-79.9000110.9I42 H43 L44 T91 V92 R94 A97I42-Y63 HydrophobicContact CG2-CD1 3.96Å; I42-Y63 HydrophobicContact CG2-CG 4.4Å; H43-Y63 CarbonylContact O-C 3.57Å; H43-Y63 VanDerWaalsContact O-CA 3.31Å; H43-Y63 WeakPolarHBondContact O-CA 3.21Å; L44-Y63 HydrophobicContact CD2-CD1 4.16Å; L44-Y63 HydrophobicContact CD2-CE1 3.65Å; L44-Y63 HydrophobicContact CG-CD1 4.44Å; L44-Y63 HydrophobicContact CG-CE1 4.05Å; Y63-T91 WeakPolarHBondContact O-CA 3.33Å; Y63-V92 PolarHBondContact N-O 2.99Å; Y63-V92 PolarHBondContact O-N 2.81Å; Y63-R94 HydrophobicContact CD2-CB 4.43Å; Y63-R94 HydrophobicContact CE2-CB 3.81Å; Y63-R94 HydrophobicContact CE2-CG 3.99Å; Y63-A97 HydrophobicContact CD1-CB 4.26Å; Y63-A97 HydrophobicContact CD2-CB 3.78Å; Y63-A97 HydrophobicContact CE2-CB 4.48Å; Y63-A97 HydrophobicContact CG-CB 3.65Å
64S97.9Very high93.5Very high14 Ų1444.4 Ų44.410%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-108.4117.3167.2-170.20000108.5I42 H43 H66 V89 F90I42-S64 WeakPolarHBondContact CA-O 3.45Å; H43-S64 PolarHBondContact N-O 3.16Å; H43-S64 PolarHBondContact O-N 3.46Å; S64-H66 PolarHBondContact OG-CD2 3.27Å; S64-H66 VanDerWaalsContact OG-CD2 3.3Å; S64-H66 PolarHBondContact OG-NE2 2.87Å; S64-V89 VanDerWaalsContact OG-CG1 3.28Å; S64-V89 WeakPolarHBondContact OG-CG1 3.25Å; S64-F90 CarbonylContact C-O 3.57Å; S64-F90 WeakPolarHBondContact CA-O 3.27Å
65V98.3Very high92.8Very high0 Ų055.2 Ų55.20%026%0.264CS..EExtended strand (participates in β ladder)trans-96.8119.1174.9175.10000107.9V40 I42 L67 V89 F90 V92 T100V40-V65 HydrophobicContact CG2-CG1 3.87Å; I42-V65 HydrophobicContact CD1-CG2 4.25Å; I42-V65 HydrophobicContact CG1-CG2 4.13Å; I42-V65 HydrophobicContact CG2-CG2 4.29Å; V65-L67 HydrophobicContact CG1-CD2 4.1Å; V65-L67 HydrophobicContact CG1-CG 4.28Å; V65-V89 CarbonylContact O-C 3.58Å; V65-V89 WeakPolarHBondContact O-CA 3.4Å; V65-F90 HydrophobicContact CB-CB 4.43Å; V65-F90 PolarHBondContact N-O 2.9Å; V65-F90 PolarHBondContact O-N 3.21Å; V65-V92 HydrophobicContact CG2-CG1 4.43Å; V65-V92 HydrophobicContact CG2-CG2 3.56Å; V65-T100 HydrophobicContact CG1-CG2 4.03Å
66H97.9Very high92.3Very high63 Ų6357.8 Ų57.829%0.29228%0.279SS..EExtended strand (participates in β ladder)trans-107123.1176.3-62.2-127.9000107.7V40 S41 H43 S64 Q88V40-H66 CarbonylContact C-O 3.56Å; V40-H66 VanDerWaalsContact CA-O 3.31Å; V40-H66 WeakPolarHBondContact CA-O 3.41Å; S41-H66 PolarHBondContact N-O 3.26Å; S41-H66 PolarHBondContact O-N 2.71Å; S41-H66 WeakPolarHBondContact OG-CB 3.3Å; H43-H66 AromaticContact CD2-CD2 3.63Å; H43-H66 AromaticContact CD2-NE2 3.8Å; S64-H66 PolarHBondContact OG-CD2 3.27Å; S64-H66 VanDerWaalsContact OG-CD2 3.3Å; S64-H66 PolarHBondContact OG-NE2 2.87Å; H66-Q88 CarbonylContact C-O 3.53Å; H66-Q88 WeakPolarHBondContact CA-O 3.3Å
67L96.6Very high92.1Very high0 Ų057.1 Ų57.10%027%0.269CS..EExtended strand (participates in β ladder)trans-107.6135.6174-59.7178.3000108.9R33 V34 Y37 N39 V40 V65 K87 Q88 F90R33-L67 HydrophobicContact CB-CD1 3.73Å; V34-L67 HydrophobicContact CG2-CD1 3.94Å; V34-L67 HydrophobicContact CG2-CD2 4.5Å; Y37-L67 HydrophobicContact CD1-CB 4.38Å; Y37-L67 HydrophobicContact CD2-CB 4.09Å; Y37-L67 HydrophobicContact CD2-CD1 4.35Å; Y37-L67 HydrophobicContact CG-CB 3.82Å; N39-L67 WeakPolarHBondContact O-CA 3.24Å; V40-L67 HydrophobicContact CB-CD2 3.96Å; V40-L67 HydrophobicContact CG2-CD2 3.71Å; V65-L67 HydrophobicContact CG1-CD2 4.1Å; V65-L67 HydrophobicContact CG1-CG 4.28Å; L67-K87 WeakPolarHBondContact O-CA 3.42Å; L67-Q88 HydrophobicContact CB-CB 4.27Å; L67-Q88 PolarHBondContact N-O 2.92Å; L67-Q88 PolarHBondContact O-N 3.13Å; L67-F90 HydrophobicContact CD1-CD2 4.36Å; L67-F90 HydrophobicContact CD1-CE2 3.88Å; L67-F90 HydrophobicContact CG-CE2 4.49Å
68S94.6Very high91.8Very high35 Ų3560.7 Ų60.725%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-158.1-175.2-178.464.10000110.5Y37 S38 N39Y37-S68 WeakPolarHBondContact CB-O 3.22Å; S38-S68 PolarHBondContact N-O 3.19Å; N39-S68 WeakPolarHBondContact CA-O 3.46Å; N39-S68 VanDerWaalsContact CB-O 3.31Å; N39-S68 WeakPolarHBondContact CB-O 3.18Å; N39-S68 PolarHBondContact N-O 3.26Å; N39-S68 PolarHBondContact O-N 3.38Å
69G89.8Confident91.6Very high9 Ų958.1 Ų58.19%0.09327%0.274CS..SBendtrans91.5167.4179.400000111.6
70E86.1Confident91.3Very high61 Ų6159.4 Ų59.429%0.28529%0.285SS..  trans-75.3150-172.9-54.385.6172.100111.5S38 I79S38-E70 WeakPolarHBondContact CB-O 2.94Å; S38-E70 PolarHBondContact OG-N 2.97Å; S38-E70 PolarHBondContact OG-O 3.4Å; E70-I79 HydrophobicContact CB-CG2 3.42Å; E70-I79 VanDerWaalsContact CB-CG2 3.42Å; E70-I79 HydrophobicContact CG-CG2 3.7Å
71L88.6Confident90.6Very high41 Ų4158.6 Ų58.622%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-69.9155.2165-60.5-177.5000108.6N36 D80 M83N36-L71 HydrophobicContact CB-CD2 3.76Å; N36-L71 VanDerWaalsContact O-CD2 3.3Å; N36-L71 WeakPolarHBondContact O-CD2 3.3Å; L71-D80 HydrophobicContact CB-CB 4.15Å; L71-D80 PolarHBondContact O-N 3.35Å; L71-M83 HydrophobicContact CD1-CB 4.5Å
72Y90.5Very high89.8Confident30 Ų3066.9 Ų66.912%0.11833%0.326CS..EExtended strand (participates in β ladder)trans-150.5151.8177.464.8-86000111.6T74 M77 Q78 H108 F111Y72-T74 HydrophobicContact CE2-CG2 4.07Å; Y72-T74 PolarHBondContact O-N 2.75Å; Y72-M77 HydrophobicContact CD2-SD 4.3Å; Y72-M77 HydrophobicContact CE2-SD 4.3Å; Y72-Q78 CarbonylContact C-O 3.56Å; Y72-Q78 VanDerWaalsContact CA-O 3.22Å; Y72-Q78 WeakPolarHBondContact CA-O 3.49Å; Y72-Q78 WeakPolarHBondContact CB-O 3.43Å; Y72-H108 AromaticContact CE1-CE1 3.89Å; Y72-H108 AromaticContact CE1-ND1 3.37Å; Y72-H108 WeakPolarHBondContact CE1-ND1 3.47Å; Y72-H108 AromaticContact CZ-ND1 3.49Å; Y72-H108 PolarHBondContact OH-ND1 3.35Å; Y72-F111 VanDerWaalsContact CB-CE2 3.49Å; Y72-F111 AromaticContact CD1-CD1 3.85Å; Y72-F111 HydrophobicContact CD1-CD1 3.85Å; Y72-F111 AromaticContact CD1-CD2 3.87Å; Y72-F111 HydrophobicContact CD1-CD2 3.87Å; Y72-F111 AromaticContact CD1-CE1 3.88Å; Y72-F111 HydrophobicContact CD1-CE1 3.88Å; Y72-F111 AromaticContact CD1-CE2 3.91Å; Y72-F111 HydrophobicContact CD1-CE2 3.91Å; Y72-F111 AromaticContact CD1-CG 3.82Å; Y72-F111 HydrophobicContact CD1-CG 3.82Å; Y72-F111 AromaticContact CD1-CZ 3.89Å; Y72-F111 HydrophobicContact CD1-CZ 3.89Å; Y72-F111 HydrophobicContact CD2-CB 4.14Å; Y72-F111 AromaticContact CD2-CD2 3.49Å; Y72-F111 HydrophobicContact CD2-CD2 3.49Å; Y72-F111 VanDerWaalsContact CD2-CD2 3.49Å; Y72-F111 HydrophobicContact CD2-CE2 4.02Å; Y72-F111 AromaticContact CD2-CG 3.86Å; Y72-F111 HydrophobicContact CD2-CG 3.86Å; Y72-F111 HydrophobicContact CE1-CB 4.11Å; Y72-F111 AromaticContact CE1-CD1 3.78Å; Y72-F111 HydrophobicContact CE1-CD1 3.78Å; Y72-F111 HydrophobicContact CE1-CD2 4.26Å; Y72-F111 HydrophobicContact CE1-CE1 4.23Å; Y72-F111 AromaticContact CE1-CG 3.77Å; Y72-F111 HydrophobicContact CE1-CG 3.77Å; Y72-F111 HydrophobicContact CE2-CB 3.63Å; Y72-F111 AromaticContact CE2-CD2 3.91Å; Y72-F111 HydrophobicContact CE2-CD2 3.91Å; Y72-F111 AromaticContact CE2-CG 3.82Å; Y72-F111 HydrophobicContact CE2-CG 3.82Å; Y72-F111 HydrophobicContact CG-CD1 4.31Å; Y72-F111 AromaticContact CG-CD2 3.46Å; Y72-F111 HydrophobicContact CG-CD2 3.46Å; Y72-F111 VanDerWaalsContact CG-CD2 3.46Å; Y72-F111 HydrophobicContact CG-CE1 4.36Å; Y72-F111 AromaticContact CG-CE2 3.53Å; Y72-F111 HydrophobicContact CG-CE2 3.53Å; Y72-F111 AromaticContact CG-CG 3.86Å; Y72-F111 HydrophobicContact CG-CG 3.86Å; Y72-F111 AromaticContact CG-CZ 3.98Å; Y72-F111 HydrophobicContact CG-CZ 3.98Å; Y72-F111 AromaticContact CZ-CG 3.76Å
73N87.7Confident88.8Confident78 Ų7867.5 Ų67.542%0.41733%0.331SS..  trans-73.2117.8173.2-175.2-58.9000109.7R75 T76 M77 Q78N73-R75 PolarHBondContact O-N 3.42Å; N73-R75 VanDerWaalsContact O-N 3.08Å; N73-R75 WeakPolarHBondContact OD1-CA 3.3Å; N73-R75 WeakPolarHBondContact OD1-CB 3.23Å; N73-R75 PolarHBondContact OD1-N 2.9Å; N73-T76 VanDerWaalsContact CB-OG1 3.26Å; N73-T76 WeakPolarHBondContact CB-OG1 3.48Å; N73-T76 PolarHBondContact O-N 2.83Å; N73-T76 PolarHBondContact OD1-N 3.38Å; N73-M77 VanDerWaalsContact O-CA 3.26Å; N73-M77 WeakPolarHBondContact O-CA 3.33Å; N73-M77 PolarHBondContact O-N 3.01Å; N73-Q78 PolarHBondContact N-O 2.94Å
74T83.8Confident87.9Confident76 Ų7667 Ų6747%0.46633%0.334SS..THydrogen-bonded Turntrans-66.7-12.3-176.156.60000114.6Y72 M77 K110Y72-T74 HydrophobicContact CE2-CG2 4.07Å; Y72-T74 PolarHBondContact O-N 2.75Å; T74-M77 WeakPolarHBondContact O-CE 3.42Å; T74-K110 PolarHBondContact O-NZ 3.15Å; T74-K110 VanDerWaalsContact O-NZ 3.16Å
75R82.7Confident87.3Confident227 Ų22774.2 Ų74.286%0.85737%0.366SS*.THydrogen-bonded Turntrans-95.9-46.9174.8-60.2-177.1180-174.50.1112N73N73-R75 PolarHBondContact O-N 3.42Å; N73-R75 VanDerWaalsContact O-N 3.08Å; N73-R75 WeakPolarHBondContact OD1-CA 3.3Å; N73-R75 WeakPolarHBondContact OD1-CB 3.23Å; N73-R75 PolarHBondContact OD1-N 2.9Å
76T85.5Confident86.9Confident67 Ų6776.4 Ų76.441%0.41138%0.378SS..THydrogen-bonded Turntrans-94.7-12.5-174.567.20000114.1N73 Q78N73-T76 VanDerWaalsContact CB-OG1 3.26Å; N73-T76 WeakPolarHBondContact CB-OG1 3.48Å; N73-T76 PolarHBondContact O-N 2.83Å; N73-T76 PolarHBondContact OD1-N 3.38Å; T76-Q78 PolarHBondContact O-N 2.97Å; T76-Q78 VanDerWaalsContact O-N 3.14Å; T76-Q78 WeakPolarHBondContact OG1-CB 3.18Å; T76-Q78 PolarHBondContact OG1-N 3.49Å
77M89.9Confident86.7Confident14 Ų1480.9 Ų80.97%0.06940%0.396CS..  trans59.99.2-170.9-54.2-59.8140.700114.9Y72 N73 T74 K110 F111 Y114Y72-M77 HydrophobicContact CD2-SD 4.3Å; Y72-M77 HydrophobicContact CE2-SD 4.3Å; N73-M77 VanDerWaalsContact O-CA 3.26Å; N73-M77 WeakPolarHBondContact O-CA 3.33Å; N73-M77 PolarHBondContact O-N 3.01Å; T74-M77 WeakPolarHBondContact O-CE 3.42Å; M77-K110 HydrophobicContact CE-CD 3.67Å; M77-K110 HydrophobicContact CE-CG 3.96Å; M77-K110 HydrophobicContact SD-CG 4.42Å; M77-F111 HydrophobicContact CB-CD2 4.41Å; M77-F111 HydrophobicContact SD-CB 4.09Å; M77-F111 HydrophobicContact SD-CD2 4.13Å; M77-Y114 HydrophobicContact CB-CD1 3.33Å; M77-Y114 HydrophobicContact CB-CD2 4.19Å; M77-Y114 HydrophobicContact CB-CE1 3.55Å; M77-Y114 HydrophobicContact CB-CE2 4.38Å; M77-Y114 HydrophobicContact CB-CG 3.67Å; M77-Y114 HydrophobicContact CG-CD1 4.03Å; M77-Y114 HydrophobicContact CG-CD2 4.26Å; M77-Y114 HydrophobicContact CG-CG 3.84Å
78Q87.6Confident86.6Confident133 Ų13382.9 Ų82.962%0.62141%0.406SS*.  trans-70135.4176.8-72177.2-23.600110.3Y72 N73 T76Y72-Q78 CarbonylContact C-O 3.56Å; Y72-Q78 VanDerWaalsContact CA-O 3.22Å; Y72-Q78 WeakPolarHBondContact CA-O 3.49Å; Y72-Q78 WeakPolarHBondContact CB-O 3.43Å; N73-Q78 PolarHBondContact N-O 2.94Å; T76-Q78 PolarHBondContact O-N 2.97Å; T76-Q78 VanDerWaalsContact O-N 3.14Å; T76-Q78 WeakPolarHBondContact OG1-CB 3.18Å; T76-Q78 PolarHBondContact OG1-N 3.49Å
79I88.9Confident86.8Confident77 Ų7784.8 Ų84.840%0.39542%0.416SS..EExtended strand (participates in β ladder)trans-73.4136.3178.1-60.1177.7000109.2E70 N81 F111E70-I79 HydrophobicContact CB-CG2 3.42Å; E70-I79 VanDerWaalsContact CB-CG2 3.42Å; E70-I79 HydrophobicContact CG-CG2 3.7Å; I79-N81 VanDerWaalsContact CG2-OD1 3.31Å; I79-N81 WeakPolarHBondContact CG2-OD1 3.41Å; I79-F111 HydrophobicContact CG1-CE2 4.33Å; I79-F111 HydrophobicContact CG1-CZ 4.24Å
80D85.5Confident87.1Confident81 Ų8185.3 Ų85.343%0.43342%0.416SS..EExtended strand (participates in β ladder)trans-106.7114168.4-178.2-3.8000109.3L71 F82L71-D80 HydrophobicContact CB-CB 4.15Å; L71-D80 PolarHBondContact O-N 3.35Å; D80-F82 VanDerWaalsContact C-N 3.28Å; D80-F82 PolarHBondContact O-N 2.96Å; D80-F82 VanDerWaalsContact OD1-CB 3.27Å; D80-F82 WeakPolarHBondContact OD1-CB 3.23Å; D80-F82 PolarHBondContact OD1-N 3.17Å
81N80.6Confident87.7Confident113 Ų11383.4 Ų83.460%0.60441%0.408SS*.G310 helixtrans-83.22.2-175.2-69.2-27.6000113.7I79 M83I79-N81 VanDerWaalsContact CG2-OD1 3.31Å; I79-N81 WeakPolarHBondContact CG2-OD1 3.41Å; N81-M83 VanDerWaalsContact C-N 3.26Å; N81-M83 PolarHBondContact O-N 3.09Å
82F79.5Confident88.1Confident175 Ų17581.4 Ų81.477%0.76840%0.398SS*.G310 helixtrans-58.1-34.6-175-174.5-109.9000113.6D80D80-F82 VanDerWaalsContact C-N 3.28Å; D80-F82 PolarHBondContact O-N 2.96Å; D80-F82 VanDerWaalsContact OD1-CB 3.27Å; D80-F82 WeakPolarHBondContact OD1-CB 3.23Å; D80-F82 PolarHBondContact OD1-N 3.17Å
83M75.7Confident88.4Confident76 Ų7680 Ų8037%0.37439%0.392SS..G310 helixtrans-129.330.7-178.2-59.1-171.37800113.9L71 N81 H85 D86L71-M83 HydrophobicContact CD1-CB 4.5Å; N81-M83 VanDerWaalsContact C-N 3.26Å; N81-M83 PolarHBondContact O-N 3.09Å; M83-H85 PolarHBondContact O-N 3.24Å; M83-D86 HydrophobicContact CB-CB 4.12Å; M83-D86 HydrophobicContact CE-CB 4.13Å; M83-D86 WeakPolarHBondContact O-CB 3.48Å; M83-D86 PolarHBondContact O-N 3.08Å
84S78.9Confident88.7Confident36 Ų3683 Ų8325%0.25240%0.398SS..THydrogen-bonded Turntrans-57.6-23.8-17355.60000115.4
85H84.9Confident89.2Confident166 Ų16680.4 Ų80.477%0.76938%0.381SS*.THydrogen-bonded Turntrans-98.8-3.4-179.9-59.985.7000113.7M83M83-H85 PolarHBondContact O-N 3.24Å
86D90.1Very high89.8Confident47 Ų4769.8 Ų69.825%0.25134%0.341SS..  trans-69.9138.9-178.8-170.482.5000110.9Y37 M83 Q88Y37-D86 HydrophobicContact CE1-CB 4.16Å; Y37-D86 WeakPolarHBondContact CE1-OD2 3.11Å; Y37-D86 VanDerWaalsContact CZ-OD2 3.22Å; Y37-D86 PolarHBondContact OH-OD2 3.09Å; M83-D86 HydrophobicContact CB-CB 4.12Å; M83-D86 HydrophobicContact CE-CB 4.13Å; M83-D86 WeakPolarHBondContact O-CB 3.48Å; M83-D86 PolarHBondContact O-N 3.08Å; D86-Q88 PolarHBondContact OD2-NE2 3.49Å
87K93.8Very high90.3Very high156 Ų15666.8 Ų66.868%0.67832%0.323SS*.  trans-135.9133.3-179.2-64.2-179.7-174.6174.90109.5L67L67-K87 WeakPolarHBondContact O-CA 3.42Å
88Q95Very high90.6Very high43 Ų4368.6 Ų68.620%0.20134%0.337CS..EExtended strand (participates in β ladder)trans-118.1136.9177.8-57.6-65.8-4800109.8Y37 H66 L67 D86 F90Y37-Q88 HydrophobicContact CE1-CG 4.24Å; Y37-Q88 HydrophobicContact CE2-CG 3.88Å; Y37-Q88 WeakPolarHBondContact OH-CG 3.46Å; H66-Q88 CarbonylContact C-O 3.53Å; H66-Q88 WeakPolarHBondContact CA-O 3.3Å; L67-Q88 HydrophobicContact CB-CB 4.27Å; L67-Q88 PolarHBondContact N-O 2.92Å; L67-Q88 PolarHBondContact O-N 3.13Å; D86-Q88 PolarHBondContact OD2-NE2 3.49Å; Q88-F90 HydrophobicContact CB-CD2 4.43Å; Q88-F90 HydrophobicContact CB-CE2 3.54Å; Q88-F90 HydrophobicContact CB-CZ 3.99Å
89V97.3Very high91.1Very high75 Ų7562.8 Ų62.846%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-126.4127.4-178.4-174.90000109.8S64 V65S64-V89 VanDerWaalsContact OG-CG1 3.28Å; S64-V89 WeakPolarHBondContact OG-CG1 3.25Å; V65-V89 CarbonylContact O-C 3.58Å; V65-V89 WeakPolarHBondContact O-CA 3.4Å
90F97.6Very high91.5Very high20 Ų2059.1 Ų59.19%0.08829%0.291CS..EExtended strand (participates in β ladder)trans-129.8125.2-178.1-57.3-85000111.7Y30 R33 Q53 S64 V65 L67 Q88 V92Y30-F90 HydrophobicContact CD2-CB 4.41Å; Y30-F90 AromaticContact CD2-CD1 3.85Å; Y30-F90 HydrophobicContact CD2-CD1 3.85Å; Y30-F90 HydrophobicContact CD2-CD2 4.11Å; Y30-F90 HydrophobicContact CD2-CE1 4.1Å; Y30-F90 HydrophobicContact CD2-CE2 4.34Å; Y30-F90 AromaticContact CD2-CG 3.86Å; Y30-F90 HydrophobicContact CD2-CG 3.86Å; Y30-F90 HydrophobicContact CD2-CZ 4.33Å; Y30-F90 HydrophobicContact CE2-CB 3.82Å; Y30-F90 HydrophobicContact CE2-CD1 4.1Å; Y30-F90 AromaticContact CE2-CD2 3.76Å; Y30-F90 HydrophobicContact CE2-CD2 3.76Å; Y30-F90 HydrophobicContact CE2-CE2 4.34Å; Y30-F90 AromaticContact CE2-CG 3.62Å; Y30-F90 HydrophobicContact CE2-CG 3.62Å; R33-F90 HydrophobicContact CB-CE2 4.34Å; R33-F90 HydrophobicContact CB-CZ 4.28Å; R33-F90 HydrophobicContact CG-CZ 4.16Å; Q53-F90 HydrophobicContact CB-CB 4.34Å; Q53-F90 HydrophobicContact CB-CD1 4.1Å; S64-F90 CarbonylContact C-O 3.57Å; S64-F90 WeakPolarHBondContact CA-O 3.27Å; V65-F90 HydrophobicContact CB-CB 4.43Å; V65-F90 PolarHBondContact N-O 2.9Å; V65-F90 PolarHBondContact O-N 3.21Å; L67-F90 HydrophobicContact CD1-CD2 4.36Å; L67-F90 HydrophobicContact CD1-CE2 3.88Å; L67-F90 HydrophobicContact CG-CE2 4.49Å; Q88-F90 HydrophobicContact CB-CD2 4.43Å; Q88-F90 HydrophobicContact CB-CE2 3.54Å; Q88-F90 HydrophobicContact CB-CZ 3.99Å; F90-V92 HydrophobicContact CB-CG1 4.06Å
91T97.8Very high92.1Very high20 Ų2061.2 Ų61.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-77.2122.1165.3-64.90000110.2K45 Q53 C61 Y63K45-T91 HydrophobicContact CD-CG2 4.33Å; K45-T91 VanDerWaalsContact CE-CG2 3.46Å; K45-T91 PolarHBondContact NZ-OG1 3.3Å; Q53-T91 WeakPolarHBondContact CB-O 3.45Å; Q53-T91 PolarHBondContact N-O 3.23Å; Q53-T91 VanDerWaalsContact OE1-CB 3.3Å; C61-T91 HydrophobicContact CB-CG2 3.54Å; Y63-T91 WeakPolarHBondContact O-CA 3.33Å
92V97.2Very high92.8Very high0 Ų056.6 Ų56.60%027%0.268CS..EExtended strand (participates in β ladder)trans-139.4157.4-175.8-55.20000112.7Y30 A54 K62 Y63 V65 F90 C96 A97Y30-V92 HydrophobicContact CE2-CG1 4.33Å; A54-V92 HydrophobicContact CB-CB 4.45Å; A54-V92 HydrophobicContact CB-CG1 3.69Å; K62-V92 PolarHBondContact N-O 2.86Å; Y63-V92 PolarHBondContact N-O 2.99Å; Y63-V92 PolarHBondContact O-N 2.81Å; V65-V92 HydrophobicContact CG2-CG1 4.43Å; V65-V92 HydrophobicContact CG2-CG2 3.56Å; F90-V92 HydrophobicContact CB-CG1 4.06Å; V92-C96 HydrophobicContact CB-CB 3.97Å; V92-C96 HydrophobicContact CG2-CB 4.4Å; V92-A97 HydrophobicContact CG2-CB 3.77Å
93G95.6Very high93.7Very high1 Ų148.7 Ų48.71%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-74.1165.8169.100000112.7C52 I95 C96 A97C52-G93 PolarHBondContact SG-N 3.41Å; G93-I95 PolarHBondContact O-N 3.29Å; G93-C96 PolarHBondContact O-N 3Å; G93-C96 VanDerWaalsContact O-N 3.17Å; G93-A97 PolarHBondContact O-N 3.05Å
94R94.3Very high94.7Very high141 Ų14145.1 Ų45.153%0.53222%0.215SC..Hα-helixtrans-50.4-50.5-177.2-176.2-171.7179.3-168.15114.1Y63 C96 A97 S98 E168Y63-R94 HydrophobicContact CD2-CB 4.43Å; Y63-R94 HydrophobicContact CE2-CB 3.81Å; Y63-R94 HydrophobicContact CE2-CG 3.99Å; R94-C96 PolarHBondContact O-N 3.43Å; R94-A97 PolarHBondContact O-N 3.3Å; R94-S98 WeakPolarHBondContact O-CB 3.36Å; R94-S98 PolarHBondContact O-N 3.23Å; R94-E168 WeakPolarHBondContact CD-OE1 2.88Å; R94-E168 IonicContact CZ-OE1 2.83Å; R94-E168 IonicContact NE-OE1 2.7Å; R94-E168 IonicContact NH1-OE1 3.9Å; R94-E168 PolarHBondContact NH1-OE1 2.9Å
95I94.2Very high95.6Very high21 Ų2146.6 Ų46.611%0.10822%0.217CC..Hα-helixtrans-63.7-41.6-177.9-61.1-54.7000112G93 S98 R99 F165 E168G93-I95 PolarHBondContact O-N 3.29Å; I95-S98 PolarHBondContact O-N 3.21Å; I95-R99 VanDerWaalsContact O-CB 3.26Å; I95-R99 WeakPolarHBondContact O-CB 3.25Å; I95-R99 PolarHBondContact O-N 2.98Å; I95-F165 HydrophobicContact CG2-CE1 4.35Å; I95-F165 HydrophobicContact CG2-CZ 4.17Å; I95-E168 HydrophobicContact CD1-CB 3.75Å; I95-E168 HydrophobicContact CD1-CG 3.71Å; I95-E168 HydrophobicContact CG1-CB 3.87Å; I95-E168 HydrophobicContact CG1-CG 4.17Å; I95-E168 VanDerWaalsContact CG1-OE2 3.23Å; I95-E168 WeakPolarHBondContact CG1-OE2 3.37Å
96C95.9Very high96.1Very high4 Ų438.8 Ų38.83%0.02718%0.181CC..Hα-helixtrans-66.2-44.1177.1-70.70000110.8A54 V92 G93 R94 S98 R99 T100A54-C96 HydrophobicContact CB-CB 3.78Å; V92-C96 HydrophobicContact CB-CB 3.97Å; V92-C96 HydrophobicContact CG2-CB 4.4Å; G93-C96 PolarHBondContact O-N 3Å; G93-C96 VanDerWaalsContact O-N 3.17Å; R94-C96 PolarHBondContact O-N 3.43Å; C96-S98 PolarHBondContact O-N 3.46Å; C96-R99 PolarHBondContact O-N 3.42Å; C96-T100 WeakPolarHBondContact O-CB 3.45Å; C96-T100 PolarHBondContact O-N 3.1Å; C96-T100 PolarHBondContact O-OG1 3.28Å
97A96.8Very high96.4Very high4 Ų438.9 Ų38.93%0.03318%0.18CC..Hα-helixtrans-58-47.317500000112.8I42 Y63 V92 G93 R94 T100 R101I42-A97 VanDerWaalsContact CD1-O 3.25Å; I42-A97 WeakPolarHBondContact CD1-O 3.3Å; I42-A97 HydrophobicContact CG2-CB 4.07Å; Y63-A97 HydrophobicContact CD1-CB 4.26Å; Y63-A97 HydrophobicContact CD2-CB 3.78Å; Y63-A97 HydrophobicContact CE2-CB 4.48Å; Y63-A97 HydrophobicContact CG-CB 3.65Å; V92-A97 HydrophobicContact CG2-CB 3.77Å; G93-A97 PolarHBondContact O-N 3.05Å; R94-A97 PolarHBondContact O-N 3.3Å; A97-T100 PolarHBondContact O-N 2.97Å; A97-R101 PolarHBondContact O-N 3.28Å
98S96Very high96.4Very high52 Ų5231.5 Ų31.536%0.36415%0.147SC..Hα-helixtrans-62.7-47.4179.4-170.20000111.5R94 I95 C96 T100 R101 I102R94-S98 WeakPolarHBondContact O-CB 3.36Å; R94-S98 PolarHBondContact O-N 3.23Å; I95-S98 PolarHBondContact O-N 3.21Å; C96-S98 PolarHBondContact O-N 3.46Å; S98-T100 PolarHBondContact O-N 2.96Å; S98-R101 WeakPolarHBondContact O-CB 3.29Å; S98-R101 PolarHBondContact O-N 3.45Å; S98-I102 PolarHBondContact O-N 3.45Å
99R96.9Very high96.4Very high10 Ų1030.3 Ų30.34%0.03814%0.141CC..Hα-helixtrans-60.7-43.8176.9-173.4179.2-81.5130.5-10.6111.7L20 R23 W26 I95 C96 R101 I102 Y103 F165 E167L20-R99 HydrophobicContact CB-CG 4.4Å; L20-R99 HydrophobicContact CD2-CG 4.25Å; L20-R99 VanDerWaalsContact O-CD 3.25Å; L20-R99 WeakPolarHBondContact O-CD 3.26Å; L20-R99 PolarHBondContact O-NE 2.91Å; R23-R99 PolarHBondContact O-NH2 3.23Å; W26-R99 HydrophobicContact CH2-CB 4.28Å; W26-R99 HydrophobicContact CH2-CG 3.72Å; W26-R99 HydrophobicContact CZ2-CB 3.71Å; W26-R99 HydrophobicContact CZ2-CG 3.51Å; I95-R99 VanDerWaalsContact O-CB 3.26Å; I95-R99 WeakPolarHBondContact O-CB 3.25Å; I95-R99 PolarHBondContact O-N 2.98Å; C96-R99 PolarHBondContact O-N 3.42Å; R99-R101 VanDerWaalsContact C-N 3.31Å; R99-R101 PolarHBondContact O-N 3.2Å; R99-I102 PolarHBondContact O-N 3.41Å; R99-Y103 VanDerWaalsContact O-CB 3.27Å; R99-Y103 WeakPolarHBondContact O-CB 3.4Å; R99-Y103 PolarHBondContact O-N 3.3Å; R99-F165 HydrophobicContact CB-CE1 4.27Å; R99-F165 HydrophobicContact CB-CE2 4.02Å; R99-F165 HydrophobicContact CB-CZ 3.62Å; R99-F165 HydrophobicContact CG-CZ 4.29Å; R99-E167 VanDerWaalsContact NH2-CG 3.3Å; R99-E167 IonicContact NH2-OE1 2.9Å
100T97.7Very high96.2Very high0 Ų028.7 Ų28.70%013%0.128CC..Hα-helixtrans-59.8-42.9177.2-59.90000111.2W26 Y30 V34 V40 V65 C96 A97 S98 I102 H104W26-T100 WeakPolarHBondContact CZ2-OG1 3.39Å; Y30-T100 WeakPolarHBondContact CE1-OG1 3.37Å; Y30-T100 PolarHBondContact OH-OG1 3.11Å; V34-T100 HydrophobicContact CG1-CG2 4.09Å; V34-T100 HydrophobicContact CG2-CG2 3.88Å; V40-T100 HydrophobicContact CG2-CG2 4.36Å; V65-T100 HydrophobicContact CG1-CG2 4.03Å; C96-T100 WeakPolarHBondContact O-CB 3.45Å; C96-T100 PolarHBondContact O-N 3.1Å; C96-T100 PolarHBondContact O-OG1 3.28Å; A97-T100 PolarHBondContact O-N 2.97Å; S98-T100 PolarHBondContact O-N 2.96Å; T100-I102 PolarHBondContact O-N 3.38Å; T100-H104 WeakPolarHBondContact O-CB 3.43Å; T100-H104 PolarHBondContact O-N 2.94Å
101R97.4Very high96Very high125 Ų12527.8 Ų27.847%0.47212%0.124SC..Hα-helixtrans-57.8-48.2177.7-175.2174.9-71.5-158.8-4.2112.1I42 A97 S98 R99 K105I42-R101 HydrophobicContact CD1-CB 3.85Å; A97-R101 PolarHBondContact O-N 3.28Å; S98-R101 WeakPolarHBondContact O-CB 3.29Å; S98-R101 PolarHBondContact O-N 3.45Å; R99-R101 VanDerWaalsContact C-N 3.31Å; R99-R101 PolarHBondContact O-N 3.2Å; R101-K105 HydrophobicContact CG-CD 4.46Å; R101-K105 WeakPolarHBondContact O-CB 3.27Å; R101-K105 VanDerWaalsContact O-CG 3.31Å; R101-K105 WeakPolarHBondContact O-CG 3.47Å; R101-K105 PolarHBondContact O-N 3.22Å; R101-K105 VanDerWaalsContact O-N 3.09Å
102I97.1Very high95.8Very high17 Ų1730 Ų309%0.08713%0.133CC..Hα-helixtrans-71.6-46.2-176.3-62.8162.5000110.3L20 S98 R99 T100 H104 K105 L106 F161 A162 F165L20-I102 HydrophobicContact CD1-CG2 3.95Å; S98-I102 PolarHBondContact O-N 3.45Å; R99-I102 PolarHBondContact O-N 3.41Å; T100-I102 PolarHBondContact O-N 3.38Å; I102-H104 VanDerWaalsContact C-N 3.32Å; I102-H104 PolarHBondContact O-N 3.3Å; I102-K105 PolarHBondContact O-N 3.11Å; I102-L106 HydrophobicContact CG2-CD1 4.45Å; I102-L106 PolarHBondContact O-N 3.14Å; I102-L106 VanDerWaalsContact O-N 3.1Å; I102-F161 HydrophobicContact CD1-CB 3.99Å; I102-F161 HydrophobicContact CG1-CB 4Å; I102-F161 HydrophobicContact CG2-CB 4.01Å; I102-A162 HydrophobicContact CG2-CB 3.87Å; I102-F165 HydrophobicContact CD1-CD2 3.47Å; I102-F165 VanDerWaalsContact CD1-CD2 3.47Å; I102-F165 HydrophobicContact CD1-CE2 3.87Å
103Y97.7Very high95.7Very high8 Ų832.2 Ų32.23%0.03114%0.144CC..Hα-helixtrans-55.3-49.9177.1-174.8-85.9000111.1L17 L20 V21 W26 V34 E35 R99 L106 K107L17-Y103 HydrophobicContact CB-CD2 4.38Å; L17-Y103 HydrophobicContact CB-CE2 3.72Å; L17-Y103 HydrophobicContact CD2-CD1 4.45Å; L17-Y103 HydrophobicContact CD2-CD2 3.65Å; L17-Y103 HydrophobicContact CD2-CE1 4.45Å; L17-Y103 HydrophobicContact CD2-CE2 3.6Å; L17-Y103 HydrophobicContact CD2-CG 4.09Å; L17-Y103 HydrophobicContact CG-CE2 4.18Å; L20-Y103 HydrophobicContact CB-CD2 4.15Å; L20-Y103 HydrophobicContact CD1-CD2 4.29Å; V21-Y103 HydrophobicContact CG2-CD2 3.86Å; V21-Y103 HydrophobicContact CG2-CE2 3.29Å; W26-Y103 HydrophobicContact CH2-CG 4.25Å; W26-Y103 HydrophobicContact CZ3-CD1 4.43Å; W26-Y103 HydrophobicContact CZ3-CD2 4.27Å; W26-Y103 HydrophobicContact CZ3-CG 4.06Å; V34-Y103 HydrophobicContact CG1-CD1 3.51Å; V34-Y103 HydrophobicContact CG1-CE1 3.99Å; V34-Y103 HydrophobicContact CG1-CG 4.45Å; E35-Y103 VanDerWaalsContact CD-OH 3.27Å; E35-Y103 HydrophobicContact CG-CE1 3.68Å; E35-Y103 VanDerWaalsContact CG-OH 3.23Å; E35-Y103 WeakPolarHBondContact CG-OH 3.31Å; E35-Y103 PolarHBondContact OE1-OH 3.14Å; R99-Y103 VanDerWaalsContact O-CB 3.27Å; R99-Y103 WeakPolarHBondContact O-CB 3.4Å; R99-Y103 PolarHBondContact O-N 3.3Å; Y103-L106 PolarHBondContact O-N 3.11Å; Y103-K107 HydrophobicContact CD1-CB 4.26Å; Y103-K107 HydrophobicContact CE1-CB 4.06Å; Y103-K107 HydrophobicContact CE1-CG 4.21Å; Y103-K107 VanDerWaalsContact O-CB 3.25Å; Y103-K107 WeakPolarHBondContact O-CB 3.2Å; Y103-K107 PolarHBondContact O-N 3.4Å
104H97.4Very high95.5Very high1 Ų137.2 Ų37.21%0.00516%0.163CC..Hα-helixtrans-65.6-43-177.4-167.9-82.9000112.4Y37 S38 N39 V40 T100 I102 L106 K107 H108Y37-H104 PolarHBondContact O-NE2 3.47Å; S38-H104 VanDerWaalsContact C-CE1 3.46Å; S38-H104 PolarHBondContact O-CE1 2.96Å; N39-H104 VanDerWaalsContact C-CE1 3.43Å; V40-H104 HydrophobicContact CB-CB 4.42Å; V40-H104 HydrophobicContact CG1-CB 3.86Å; V40-H104 VanDerWaalsContact CG1-CG 3.43Å; V40-H104 WeakPolarHBondContact CG1-ND1 3.42Å; V40-H104 PolarHBondContact N-CE1 2.83Å; T100-H104 WeakPolarHBondContact O-CB 3.43Å; T100-H104 PolarHBondContact O-N 2.94Å; I102-H104 VanDerWaalsContact C-N 3.32Å; I102-H104 PolarHBondContact O-N 3.3Å; H104-L106 VanDerWaalsContact C-N 3.3Å; H104-L106 PolarHBondContact O-N 3.49Å; H104-K107 PolarHBondContact O-N 3.2Å; H104-H108 AromaticContact CD2-CD2 3.3Å; H104-H108 PolarHBondContact CD2-CD2 3.14Å; H104-H108 AromaticContact CD2-NE2 3.5Å; H104-H108 AromaticContact CE1-CD2 3.35Å; H104-H108 PolarHBondContact CE1-CD2 3.35Å; H104-H108 AromaticContact CG-CD2 3.6Å; H104-H108 AromaticContact ND1-CD2 3.66Å; H104-H108 AromaticContact NE2-CD2 3.14Å; H104-H108 PolarHBondContact NE2-CD2 3.34Å; H104-H108 AromaticContact NE2-NE2 3.4Å; H104-H108 PolarHBondContact NE2-NE2 2.76Å; H104-H108 PolarHBondContact O-CD2 3.45Å; H104-H108 PolarHBondContact O-N 3.22Å
105K96.3Very high95.4Very high68 Ų6833.3 Ų33.330%0.29615%0.151SC..Hα-helixtrans-54.2-45173.4-85.7-179.5165.3-160.50112.1R101 I102 F109 Y158R101-K105 HydrophobicContact CG-CD 4.46Å; R101-K105 WeakPolarHBondContact O-CB 3.27Å; R101-K105 VanDerWaalsContact O-CG 3.31Å; R101-K105 WeakPolarHBondContact O-CG 3.47Å; R101-K105 PolarHBondContact O-N 3.22Å; R101-K105 VanDerWaalsContact O-N 3.09Å; I102-K105 PolarHBondContact O-N 3.11Å; K105-F109 WeakPolarHBondContact O-CB 3.38Å; K105-F109 PolarHBondContact O-N 3.21Å; K105-Y158 HydrophobicContact CB-CD2 3.69Å; K105-Y158 HydrophobicContact CB-CE2 3.84Å; K105-Y158 HydrophobicContact CB-CG 4.04Å; K105-Y158 HydrophobicContact CD-CD1 3.85Å; K105-Y158 HydrophobicContact CD-CD2 4.36Å; K105-Y158 HydrophobicContact CD-CE1 3.67Å; K105-Y158 HydrophobicContact CD-CE2 4.11Å; K105-Y158 HydrophobicContact CD-CG 4.22Å; K105-Y158 HydrophobicContact CG-CD2 4.32Å; K105-Y158 HydrophobicContact CG-CE1 4.46Å; K105-Y158 HydrophobicContact CG-CE2 4.02Å
106L96.2Very high95.4Very high2 Ų235.6 Ų35.61%0.0116%0.161CC..Hα-helixtrans-72.8-49.7178.1-77.2175000112.5V13 R16 L17 L20 I102 Y103 H104 H108 F109 L155 L159 A162V13-L106 HydrophobicContact CG1-CB 4.33Å; R16-L106 HydrophobicContact CB-CD1 3.99Å; L17-L106 HydrophobicContact CD2-CB 3.77Å; L20-L106 HydrophobicContact CD1-CD1 4.46Å; I102-L106 HydrophobicContact CG2-CD1 4.45Å; I102-L106 PolarHBondContact O-N 3.14Å; I102-L106 VanDerWaalsContact O-N 3.1Å; Y103-L106 PolarHBondContact O-N 3.11Å; H104-L106 VanDerWaalsContact C-N 3.3Å; H104-L106 PolarHBondContact O-N 3.49Å; L106-H108 VanDerWaalsContact C-N 3.27Å; L106-H108 PolarHBondContact O-N 2.9Å; L106-F109 PolarHBondContact O-N 3.3Å; L106-L155 HydrophobicContact CD2-CD1 4.38Å; L106-L159 HydrophobicContact CD2-CD2 3.9Å; L106-L159 HydrophobicContact CD2-CG 4.2Å; L106-A162 HydrophobicContact CD1-CB 3.56Å
107K95.6Very high95.2Very high49 Ų4938.2 Ų38.221%0.21318%0.179CC..Hα-helixtrans-56.6-41.6-176176.664.1179.4-166.70112.3L17 Y103 H104L17-K107 HydrophobicContact CD1-CB 4.31Å; L17-K107 HydrophobicContact CD1-CD 3.91Å; L17-K107 HydrophobicContact CD2-CB 4.12Å; Y103-K107 HydrophobicContact CD1-CB 4.26Å; Y103-K107 HydrophobicContact CE1-CB 4.06Å; Y103-K107 HydrophobicContact CE1-CG 4.21Å; Y103-K107 VanDerWaalsContact O-CB 3.25Å; Y103-K107 WeakPolarHBondContact O-CB 3.2Å; Y103-K107 PolarHBondContact O-N 3.4Å; H104-K107 PolarHBondContact O-N 3.2Å
108H95.2Very high95Very high0 Ų039.9 Ų39.90%019%0.19CC..THydrogen-bonded Turntrans-1023.1-175.1-58.7-71.3000113.6V34 E35 Y37 Y72 H104 L106 K110 F111 K112V34-H108 PolarHBondContact O-NE2 3.16Å; E35-H108 PolarHBondContact O-CE1 2.91Å; E35-H108 VanDerWaalsContact O-CE1 3.22Å; Y37-H108 PolarHBondContact O-CE1 3.3Å; Y37-H108 PolarHBondContact O-NE2 3.35Å; Y72-H108 AromaticContact CE1-CE1 3.89Å; Y72-H108 AromaticContact CE1-ND1 3.37Å; Y72-H108 WeakPolarHBondContact CE1-ND1 3.47Å; Y72-H108 AromaticContact CZ-ND1 3.49Å; Y72-H108 PolarHBondContact OH-ND1 3.35Å; H104-H108 AromaticContact CD2-CD2 3.3Å; H104-H108 PolarHBondContact CD2-CD2 3.14Å; H104-H108 AromaticContact CD2-NE2 3.5Å; H104-H108 AromaticContact CE1-CD2 3.35Å; H104-H108 PolarHBondContact CE1-CD2 3.35Å; H104-H108 AromaticContact CG-CD2 3.6Å; H104-H108 AromaticContact ND1-CD2 3.66Å; H104-H108 AromaticContact NE2-CD2 3.14Å; H104-H108 PolarHBondContact NE2-CD2 3.34Å; H104-H108 AromaticContact NE2-NE2 3.4Å; H104-H108 PolarHBondContact NE2-NE2 2.76Å; H104-H108 PolarHBondContact O-CD2 3.45Å; H104-H108 PolarHBondContact O-N 3.22Å; L106-H108 VanDerWaalsContact C-N 3.27Å; L106-H108 PolarHBondContact O-N 2.9Å; H108-K110 PolarHBondContact O-N 2.66Å; H108-F111 PolarHBondContact O-N 3.4Å; H108-K112 WeakPolarHBondContact O-CG 3.36Å; H108-K112 PolarHBondContact O-N 2.65Å
109F94.9Very high94.8Very high18 Ų1841.5 Ų41.58%0.07920%0.198CC..Hα-helixtrans-55-51.8-179.3-179-98.4000112K105 L106 F111 K112 L113 K151 Q154 L155 Y158K105-F109 WeakPolarHBondContact O-CB 3.38Å; K105-F109 PolarHBondContact O-N 3.21Å; L106-F109 PolarHBondContact O-N 3.3Å; F109-F111 VanDerWaalsContact C-N 3.32Å; F109-F111 PolarHBondContact O-N 3.28Å; F109-K112 PolarHBondContact O-N 2.87Å; F109-L113 HydrophobicContact CE1-CD2 4.02Å; F109-L113 HydrophobicContact CZ-CD2 4.5Å; F109-L113 WeakPolarHBondContact O-CB 3.34Å; F109-L113 PolarHBondContact O-N 3.42Å; F109-K151 WeakPolarHBondContact CZ-O 3.42Å; F109-Q154 HydrophobicContact CE2-CB 4.35Å; F109-L155 HydrophobicContact CD1-CD1 3.86Å; F109-L155 HydrophobicContact CE1-CB 3.93Å; F109-L155 HydrophobicContact CE1-CD1 4.06Å; F109-L155 HydrophobicContact CE1-CD2 4.24Å; F109-L155 HydrophobicContact CE1-CG 4.29Å; F109-L155 HydrophobicContact CE2-CB 4.12Å; F109-L155 HydrophobicContact CG-CD1 4.16Å; F109-L155 HydrophobicContact CZ-CB 3.72Å; F109-Y158 HydrophobicContact CD2-CD2 4.14Å; F109-Y158 HydrophobicContact CD2-CE2 4.05Å
110K93.1Very high94.5Very high41 Ų4142.7 Ų42.718%0.17820%0.204CC..Hα-helixtrans-59.6-42.4-178.9179.2177.654.6156.80112.1D9 T74 M77 H108 Y114D9-K110 VanDerWaalsContact CG-NZ 3.32Å; D9-K110 WeakPolarHBondContact OD1-CD 3.41Å; D9-K110 WeakPolarHBondContact OD1-CE 3.15Å; D9-K110 IonicContact OD1-NZ 3.49Å; D9-K110 PolarHBondContact OD1-NZ 3.31Å; D9-K110 WeakPolarHBondContact OD2-CE 3.49Å; D9-K110 IonicContact OD2-NZ 3.21Å; D9-K110 PolarHBondContact OD2-NZ 2.83Å; T74-K110 PolarHBondContact O-NZ 3.15Å; T74-K110 VanDerWaalsContact O-NZ 3.16Å; M77-K110 HydrophobicContact CE-CD 3.67Å; M77-K110 HydrophobicContact CE-CG 3.96Å; M77-K110 HydrophobicContact SD-CG 4.42Å; H108-K110 PolarHBondContact O-N 2.66Å; K110-Y114 WeakPolarHBondContact O-CB 3.42Å; K110-Y114 PolarHBondContact O-N 2.92Å
111F92.8Very high94.1Very high2 Ų244.7 Ų44.71%0.00922%0.221CC..Hα-helixtrans-65.3-47.2179173.1-110.1000111.6Y72 M77 I79 H108 F109 L113 Y114 Q115Y72-F111 VanDerWaalsContact CB-CE2 3.49Å; Y72-F111 AromaticContact CD1-CD1 3.85Å; Y72-F111 HydrophobicContact CD1-CD1 3.85Å; Y72-F111 AromaticContact CD1-CD2 3.87Å; Y72-F111 HydrophobicContact CD1-CD2 3.87Å; Y72-F111 AromaticContact CD1-CE1 3.88Å; Y72-F111 HydrophobicContact CD1-CE1 3.88Å; Y72-F111 AromaticContact CD1-CE2 3.91Å; Y72-F111 HydrophobicContact CD1-CE2 3.91Å; Y72-F111 AromaticContact CD1-CG 3.82Å; Y72-F111 HydrophobicContact CD1-CG 3.82Å; Y72-F111 AromaticContact CD1-CZ 3.89Å; Y72-F111 HydrophobicContact CD1-CZ 3.89Å; Y72-F111 HydrophobicContact CD2-CB 4.14Å; Y72-F111 AromaticContact CD2-CD2 3.49Å; Y72-F111 HydrophobicContact CD2-CD2 3.49Å; Y72-F111 VanDerWaalsContact CD2-CD2 3.49Å; Y72-F111 HydrophobicContact CD2-CE2 4.02Å; Y72-F111 AromaticContact CD2-CG 3.86Å; Y72-F111 HydrophobicContact CD2-CG 3.86Å; Y72-F111 HydrophobicContact CE1-CB 4.11Å; Y72-F111 AromaticContact CE1-CD1 3.78Å; Y72-F111 HydrophobicContact CE1-CD1 3.78Å; Y72-F111 HydrophobicContact CE1-CD2 4.26Å; Y72-F111 HydrophobicContact CE1-CE1 4.23Å; Y72-F111 AromaticContact CE1-CG 3.77Å; Y72-F111 HydrophobicContact CE1-CG 3.77Å; Y72-F111 HydrophobicContact CE2-CB 3.63Å; Y72-F111 AromaticContact CE2-CD2 3.91Å; Y72-F111 HydrophobicContact CE2-CD2 3.91Å; Y72-F111 AromaticContact CE2-CG 3.82Å; Y72-F111 HydrophobicContact CE2-CG 3.82Å; Y72-F111 HydrophobicContact CG-CD1 4.31Å; Y72-F111 AromaticContact CG-CD2 3.46Å; Y72-F111 HydrophobicContact CG-CD2 3.46Å; Y72-F111 VanDerWaalsContact CG-CD2 3.46Å; Y72-F111 HydrophobicContact CG-CE1 4.36Å; Y72-F111 AromaticContact CG-CE2 3.53Å; Y72-F111 HydrophobicContact CG-CE2 3.53Å; Y72-F111 AromaticContact CG-CG 3.86Å; Y72-F111 HydrophobicContact CG-CG 3.86Å; Y72-F111 AromaticContact CG-CZ 3.98Å; Y72-F111 HydrophobicContact CG-CZ 3.98Å; Y72-F111 AromaticContact CZ-CG 3.76Å; M77-F111 HydrophobicContact CB-CD2 4.41Å; M77-F111 HydrophobicContact SD-CB 4.09Å; M77-F111 HydrophobicContact SD-CD2 4.13Å; I79-F111 HydrophobicContact CG1-CE2 4.33Å; I79-F111 HydrophobicContact CG1-CZ 4.24Å; H108-F111 PolarHBondContact O-N 3.4Å; F109-F111 VanDerWaalsContact C-N 3.32Å; F109-F111 PolarHBondContact O-N 3.28Å; F111-L113 PolarHBondContact O-N 3.25Å; F111-Y114 WeakPolarHBondContact O-CB 3.21Å; F111-Y114 PolarHBondContact O-N 3.04Å; F111-Q115 VanDerWaalsContact CE1-CD 3.44Å; F111-Q115 HydrophobicContact CE1-CG 4.28Å; F111-Q115 HydrophobicContact CE2-CG 4.09Å; F111-Q115 HydrophobicContact CZ-CG 3.99Å; F111-Q115 PolarHBondContact O-N 3.35Å
112K93.9Very high93.6Very high67 Ų6745.7 Ų45.729%0.29123%0.233SC..Hα-helixtrans-63.2-42.1177.6-69.7-179.5177.4-176.20111.9S38 H108 F109 Y114 Q115 E116S38-K112 WeakPolarHBondContact O-CE 3.27Å; S38-K112 PolarHBondContact O-NZ 3.19Å; H108-K112 WeakPolarHBondContact O-CG 3.36Å; H108-K112 PolarHBondContact O-N 2.65Å; F109-K112 PolarHBondContact O-N 2.87Å; K112-Y114 VanDerWaalsContact C-N 3.31Å; K112-Y114 PolarHBondContact O-N 3.23Å; K112-Q115 PolarHBondContact O-N 3.23Å; K112-E116 WeakPolarHBondContact O-CG 3.26Å; K112-E116 PolarHBondContact O-N 3.43Å
113L93.9Very high93.1Very high46 Ų4650.2 Ų50.224%0.24126%0.262CS..Hα-helixtrans-59.3-43.5174.4-177.665000111.5F109 F111 E116 C117 W147 K151F109-L113 HydrophobicContact CE1-CD2 4.02Å; F109-L113 HydrophobicContact CZ-CD2 4.5Å; F109-L113 WeakPolarHBondContact O-CB 3.34Å; F109-L113 PolarHBondContact O-N 3.42Å; F111-L113 PolarHBondContact O-N 3.25Å; L113-E116 PolarHBondContact O-N 3.38Å; L113-C117 WeakPolarHBondContact O-CB 3.49Å; L113-C117 PolarHBondContact O-N 3.5Å; L113-C117 PolarHBondContact O-SG 3.27Å; L113-C117 VanDerWaalsContact O-SG 3.35Å; L113-W147 HydrophobicContact CD1-CH2 3.56Å; L113-W147 HydrophobicContact CD1-CZ2 4.05Å; L113-W147 HydrophobicContact CD1-CZ3 4.36Å; L113-K151 HydrophobicContact CD1-CB 4.15Å; L113-K151 HydrophobicContact CD1-CD 4.11Å; L113-K151 HydrophobicContact CD1-CG 3.9Å
114Y92.4Very high92.4Very high105 Ų10551.2 Ų51.241%0.41227%0.267SS..Hα-helixtrans-61.2-46.8176171.4-97000112.1M77 K110 F111 K112 E116 C117 C118M77-Y114 HydrophobicContact CB-CD1 3.33Å; M77-Y114 HydrophobicContact CB-CD2 4.19Å; M77-Y114 HydrophobicContact CB-CE1 3.55Å; M77-Y114 HydrophobicContact CB-CE2 4.38Å; M77-Y114 HydrophobicContact CB-CG 3.67Å; M77-Y114 HydrophobicContact CG-CD1 4.03Å; M77-Y114 HydrophobicContact CG-CD2 4.26Å; M77-Y114 HydrophobicContact CG-CG 3.84Å; K110-Y114 WeakPolarHBondContact O-CB 3.42Å; K110-Y114 PolarHBondContact O-N 2.92Å; F111-Y114 WeakPolarHBondContact O-CB 3.21Å; F111-Y114 PolarHBondContact O-N 3.04Å; K112-Y114 VanDerWaalsContact C-N 3.31Å; K112-Y114 PolarHBondContact O-N 3.23Å; Y114-E116 VanDerWaalsContact C-N 3.35Å; Y114-E116 PolarHBondContact O-N 2.97Å; Y114-C117 WeakPolarHBondContact O-CB 3.45Å; Y114-C117 PolarHBondContact O-N 3.42Å; Y114-C118 PolarHBondContact O-N 3Å; Y114-C118 PolarHBondContact O-SG 3.13Å
115Q92.6Very high91.4Very high60 Ų6058.3 Ų58.328%0.2830%0.3SS..Hα-helixtrans-60.2-44.9177.4-71.5-175.1-4800111.7F111 K112 C117 C118 T119F111-Q115 VanDerWaalsContact CE1-CD 3.44Å; F111-Q115 HydrophobicContact CE1-CG 4.28Å; F111-Q115 HydrophobicContact CE2-CG 4.09Å; F111-Q115 HydrophobicContact CZ-CG 3.99Å; F111-Q115 PolarHBondContact O-N 3.35Å; K112-Q115 PolarHBondContact O-N 3.23Å; Q115-C117 PolarHBondContact O-N 3.31Å; Q115-C118 WeakPolarHBondContact O-CB 3.31Å; Q115-C118 PolarHBondContact O-N 2.91Å; Q115-T119 PolarHBondContact O-N 3.1Å; Q115-T119 PolarHBondContact O-OG1 3.07Å; Q115-T119 VanDerWaalsContact O-OG1 3.13Å
116E93.9Very high90.6Very high69 Ų6958.8 Ų58.832%0.32231%0.308SS..Hα-helixtrans-61.8-42.8176.4-70.7-178.6-147.600112.2K112 L113 Y114 C118 T119 I120 W147 K151K112-E116 WeakPolarHBondContact O-CG 3.26Å; K112-E116 PolarHBondContact O-N 3.43Å; L113-E116 PolarHBondContact O-N 3.38Å; Y114-E116 VanDerWaalsContact C-N 3.35Å; Y114-E116 PolarHBondContact O-N 2.97Å; E116-C118 VanDerWaalsContact C-N 3.31Å; E116-C118 PolarHBondContact O-N 3.46Å; E116-T119 PolarHBondContact O-N 3.15Å; E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 3.45Å; E116-W147 HydrophobicContact CB-CZ2 4.13Å; E116-K151 IonicContact OE1-NZ 2.78Å; E116-K151 PolarHBondContact OE1-NZ 3.22Å; E116-K151 WeakPolarHBondContact OE2-CE 3.41Å; E116-K151 IonicContact OE2-NZ 3.88Å; E116-K151 PolarHBondContact OE2-NZ 2.96Å
117C92.6Very high89.6Confident58 Ų5867.2 Ų67.239%0.39235%0.347SS..Hα-helixtrans-59-41.7173.5-75.90000112L113 Y114 Q115 I120 A121L113-C117 WeakPolarHBondContact O-CB 3.49Å; L113-C117 PolarHBondContact O-N 3.5Å; L113-C117 PolarHBondContact O-SG 3.27Å; L113-C117 VanDerWaalsContact O-SG 3.35Å; Y114-C117 WeakPolarHBondContact O-CB 3.45Å; Y114-C117 PolarHBondContact O-N 3.42Å; Q115-C117 PolarHBondContact O-N 3.31Å; C117-I120 PolarHBondContact O-N 3.43Å; C117-A121 WeakPolarHBondContact O-CB 3.49Å; C117-A121 PolarHBondContact O-N 2.71Å
118C90.8Very high88.8Confident40 Ų4073.1 Ų73.127%0.2738%0.381SS..Hα-helixtrans-62.8-45.6176.2-65.10000111Y114 Q115 E116 I120 A121 M122Y114-C118 PolarHBondContact O-N 3Å; Y114-C118 PolarHBondContact O-SG 3.13Å; Q115-C118 WeakPolarHBondContact O-CB 3.31Å; Q115-C118 PolarHBondContact O-N 2.91Å; E116-C118 VanDerWaalsContact C-N 3.31Å; E116-C118 PolarHBondContact O-N 3.46Å; C118-I120 VanDerWaalsContact C-N 3.33Å; C118-I120 PolarHBondContact O-N 2.91Å; C118-A121 PolarHBondContact O-N 2.89Å; C118-M122 VanDerWaalsContact O-CG 3.27Å; C118-M122 WeakPolarHBondContact O-CG 3.44Å; C118-M122 PolarHBondContact O-N 3.27Å
119T91.9Very high88.2Confident85 Ų8575.6 Ų75.652%0.52139%0.393SS..Hα-helixtrans-59.7-42.9176.8-57.30000112Q115 E116 M122 T123Q115-T119 PolarHBondContact O-N 3.1Å; Q115-T119 PolarHBondContact O-OG1 3.07Å; Q115-T119 VanDerWaalsContact O-OG1 3.13Å; E116-T119 PolarHBondContact O-N 3.15Å; T119-M122 PolarHBondContact O-N 3.33Å; T119-T123 WeakPolarHBondContact O-CB 3.37Å; T119-T123 PolarHBondContact O-N 3.4Å; T119-T123 PolarHBondContact O-OG1 3.29Å
120I91.1Very high87.9Confident35 Ų3581 Ų8118%0.17942%0.418CS..Hα-helixtrans-62.3-46.1176.2-67.1164.8000109.9E116 C117 C118 M122 T123 E124 I138 W147E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 3.45Å; C117-I120 PolarHBondContact O-N 3.43Å; C118-I120 VanDerWaalsContact C-N 3.33Å; C118-I120 PolarHBondContact O-N 2.91Å; I120-M122 PolarHBondContact O-N 2.91Å; I120-T123 PolarHBondContact O-N 3.14Å; I120-E124 HydrophobicContact CG2-CG 4.48Å; I120-E124 WeakPolarHBondContact O-CB 3.21Å; I120-E124 PolarHBondContact O-N 3.05Å; I120-I138 HydrophobicContact CG2-CG2 3.59Å; I120-W147 HydrophobicContact CD1-CD2 4.32Å; I120-W147 HydrophobicContact CD1-CH2 4.2Å; I120-W147 HydrophobicContact CD1-CZ2 3.81Å
121A89Confident87.6Confident43 Ų4384.9 Ų84.936%0.35545%0.445SS..Hα-helixtrans-60.3-43.7179.300000112.6C117 C118 E125 I138C117-A121 WeakPolarHBondContact O-CB 3.49Å; C117-A121 PolarHBondContact O-N 2.71Å; C118-A121 PolarHBondContact O-N 2.89Å; A121-E125 PolarHBondContact O-N 3.33Å; A121-E125 VanDerWaalsContact O-N 3.16Å; A121-I138 HydrophobicContact CB-CD1 4.34Å
122M87.8Confident87.5Confident145 Ų14591.5 Ų91.571%0.71447%0.474SS*.Hα-helixtrans-69.4-32.5178.2-65.6173.7100.900112.9C118 T119 I120C118-M122 VanDerWaalsContact O-CG 3.27Å; C118-M122 WeakPolarHBondContact O-CG 3.44Å; C118-M122 PolarHBondContact O-N 3.27Å; T119-M122 PolarHBondContact O-N 3.33Å; I120-M122 PolarHBondContact O-N 2.91Å
123T86.9Confident87.3Confident113 Ų11393.1 Ų93.169%0.69348%0.482SS*.Hα-helixtrans-79.3-29-179-52.10000112T119 I120T119-T123 WeakPolarHBondContact O-CB 3.37Å; T119-T123 PolarHBondContact O-N 3.4Å; T119-T123 PolarHBondContact O-OG1 3.29Å; I120-T123 PolarHBondContact O-N 3.14Å
124E81.4Confident87Confident29 Ų2991.8 Ų91.814%0.13648%0.476CS..SBendtrans-102.411.5-178.5-62.9-162-148.400112.9I120 V126 R137 I138 R141I120-E124 HydrophobicContact CG2-CG 4.48Å; I120-E124 WeakPolarHBondContact O-CB 3.21Å; I120-E124 PolarHBondContact O-N 3.05Å; E124-V126 PolarHBondContact O-N 2.92Å; E124-R137 PolarHBondContact O-NH2 3.46Å; E124-R137 IonicContact OE2-NH1 2.79Å; E124-R137 PolarHBondContact OE2-NH1 3.1Å; E124-R137 VanDerWaalsContact OE2-NH1 3.15Å; E124-I138 HydrophobicContact CB-CD1 4.16Å; E124-I138 HydrophobicContact CB-CG1 4.04Å; E124-R141 IonicContact OE1-CZ 2.86Å; E124-R141 IonicContact OE1-NE 3.29Å; E124-R141 IonicContact OE1-NH1 2.83Å; E124-R141 PolarHBondContact OE1-NH1 3.44Å; E124-R141 WeakPolarHBondContact OE2-CD 3.39Å; E124-R141 IonicContact OE2-CZ 2.65Å; E124-R141 IonicContact OE2-NH1 3.28Å; E124-R141 PolarHBondContact OE2-NH1 3.21Å
125E77.2Confident86.9Confident150 Ų15091 Ų9170%0.70148%0.482SS*.  trans-64.7127.4176.2-166.4167.4-163.700109.8A121A121-E125 PolarHBondContact O-N 3.33Å; A121-E125 VanDerWaalsContact O-N 3.16Å
126V80.1Confident86.9Confident77 Ų7793.1 Ų93.147%0.46749%0.492SS..  trans-114.8127178.9177.80000107.4E124 D128 E129E124-V126 PolarHBondContact O-N 2.92Å; V126-D128 PolarHBondContact O-N 3.36Å; V126-E129 HydrophobicContact CB-CB 4.16Å; V126-E129 HydrophobicContact CG1-CB 4.46Å; V126-E129 PolarHBondContact O-N 2.96Å
127E74.6Confident86.9Confident180 Ų18092.5 Ų92.584%0.84149%0.487SS*.THydrogen-bonded Turntrans-56.7134.8175.7-68.9-179.5170.900110E129E127-E129 VanDerWaalsContact C-N 3.32Å; E127-E129 PolarHBondContact O-N 3.19Å
128D77.8Confident86.9Confident172 Ų17290.8 Ų90.892%0.9247%0.474SS*.THydrogen-bonded Turntrans68.77179.9-56.4-38.6000117.7V126V126-D128 PolarHBondContact O-N 3.36Å
129E84.6Confident87Confident52 Ų5294.8 Ų94.824%0.24349%0.487CS..  trans-81138.9171.1-166.1178.9-147.500111.2V126 E127 E133 T134 R137V126-E129 HydrophobicContact CB-CB 4.16Å; V126-E129 HydrophobicContact CG1-CB 4.46Å; V126-E129 PolarHBondContact O-N 2.96Å; E127-E129 VanDerWaalsContact C-N 3.32Å; E127-E129 PolarHBondContact O-N 3.19Å; E129-E133 HydrophobicContact CG-CB 3.84Å; E129-T134 VanDerWaalsContact CD-OG1 3.29Å; E129-T134 WeakPolarHBondContact CG-OG1 3.22Å; E129-T134 WeakPolarHBondContact OE2-CA 3.5Å; E129-T134 WeakPolarHBondContact OE2-CB 3.12Å; E129-T134 PolarHBondContact OE2-OG1 2.81Å; E129-R137 IonicContact OE1-NE 3.66Å; E129-R137 PolarHBondContact OE1-NE 3.23Å; E129-R137 IonicContact OE2-CZ 3.67Å; E129-R137 IonicContact OE2-NE 3.53Å; E129-R137 PolarHBondContact OE2-NE 3.44Å; E129-R137 IonicContact OE2-NH2 2.81Å; E129-R137 PolarHBondContact OE2-NH2 2.88Å
130Q88.2Confident87.1Confident133 Ų13397.5 Ų97.562%0.62149%0.487SS*.  trans-68.7139.7173.8-66.3-173.419.100110.4K132 E133 T134Q130-K132 PolarHBondContact O-N 3.45Å; Q130-E133 HydrophobicContact CB-CG 4.33Å; Q130-E133 WeakPolarHBondContact O-CB 3.18Å; Q130-E133 PolarHBondContact O-N 3.16Å; Q130-T134 PolarHBondContact O-N 2.93Å; Q130-T134 PolarHBondContact O-OG1 2.47Å
131V86.7Confident87.3Confident121 Ų121102.1 Ų102.173%0.73350%0.502SS*.Hα-helixtrans-47.3-39.8179.6176.40000112.9V135V131-V135 HydrophobicContact CG1-CG2 4.39Å; V131-V135 WeakPolarHBondContact O-CB 3.11Å; V131-V135 VanDerWaalsContact O-CG2 3.24Å; V131-V135 WeakPolarHBondContact O-CG2 3.31Å; V131-V135 PolarHBondContact O-N 2.94Å
132K89.4Confident87.5Confident142 Ų142100.4 Ų100.462%0.61749%0.488SS*.Hα-helixtrans-63.3-44.8179-175.5-176.7171.2-167.90112.1Q130 V135 E136Q130-K132 PolarHBondContact O-N 3.45Å; K132-V135 PolarHBondContact O-N 2.98Å; K132-E136 WeakPolarHBondContact CE-OE1 3.2Å; K132-E136 IonicContact NZ-OE1 3.96Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3.07Å
133E89.7Confident87.8Confident100 Ų100100.6 Ų100.647%0.46749%0.485SS..Hα-helixtrans-67.4-42.6-179.4-65.4175.816600110.6E129 Q130 V135 E136 R137E129-E133 HydrophobicContact CG-CB 3.84Å; Q130-E133 HydrophobicContact CB-CG 4.33Å; Q130-E133 WeakPolarHBondContact O-CB 3.18Å; Q130-E133 PolarHBondContact O-N 3.16Å; E133-V135 PolarHBondContact O-N 3.02Å; E133-E136 PolarHBondContact O-N 2.83Å; E133-R137 VanDerWaalsContact O-CB 3.29Å; E133-R137 WeakPolarHBondContact O-CB 3.26Å; E133-R137 PolarHBondContact O-N 3.34Å
134T89.3Confident88.2Confident18 Ų18102.1 Ų102.111%0.1148%0.484CS..Hα-helixtrans-56.8-48.2173-54.10000111.5E129 Q130 R137 I138E129-T134 VanDerWaalsContact CD-OG1 3.29Å; E129-T134 WeakPolarHBondContact CG-OG1 3.22Å; E129-T134 WeakPolarHBondContact OE2-CA 3.5Å; E129-T134 WeakPolarHBondContact OE2-CB 3.12Å; E129-T134 PolarHBondContact OE2-OG1 2.81Å; Q130-T134 PolarHBondContact O-N 2.93Å; Q130-T134 PolarHBondContact O-OG1 2.47Å; T134-R137 PolarHBondContact O-N 2.92Å; T134-I138 HydrophobicContact CG2-CD1 3.81Å; T134-I138 WeakPolarHBondContact O-CB 3.3Å; T134-I138 VanDerWaalsContact O-CG1 3.28Å; T134-I138 WeakPolarHBondContact O-CG1 3.36Å; T134-I138 PolarHBondContact O-N 3.35Å
135V90.4Very high88.9Confident88 Ų88105.6 Ų105.653%0.53350%0.504SS..Hα-helixtrans-63.7-451791700000111.6V131 K132 E133 R137 I138 F139V131-V135 HydrophobicContact CG1-CG2 4.39Å; V131-V135 WeakPolarHBondContact O-CB 3.11Å; V131-V135 VanDerWaalsContact O-CG2 3.24Å; V131-V135 WeakPolarHBondContact O-CG2 3.31Å; V131-V135 PolarHBondContact O-N 2.94Å; K132-V135 PolarHBondContact O-N 2.98Å; E133-V135 PolarHBondContact O-N 3.02Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 2.91Å; V135-I138 PolarHBondContact O-N 2.97Å; V135-F139 VanDerWaalsContact O-CB 3.25Å; V135-F139 WeakPolarHBondContact O-CB 3.5Å; V135-F139 PolarHBondContact O-N 2.86Å
136E92Very high89.8Confident106 Ų10699.8 Ų99.850%0.49548%0.484SS..Hα-helixtrans-62.9-41.2178.3-75.7178.7-176.300111.9K132 E133 R140K132-E136 WeakPolarHBondContact CE-OE1 3.2Å; K132-E136 IonicContact NZ-OE1 3.96Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3.07Å; E133-E136 PolarHBondContact O-N 2.83Å; E136-R140 WeakPolarHBondContact O-CB 3.45Å; E136-R140 PolarHBondContact O-N 2.91Å
137R93.2Very high90.6Very high55 Ų5598.4 Ų98.421%0.20847%0.47CS..Hα-helixtrans-64.6-50.2177179.3176.856.574.4-2.6111.9E124 E129 E133 T134 V135 F139 R140 R141E124-R137 PolarHBondContact O-NH2 3.46Å; E124-R137 IonicContact OE2-NH1 2.79Å; E124-R137 PolarHBondContact OE2-NH1 3.1Å; E124-R137 VanDerWaalsContact OE2-NH1 3.15Å; E129-R137 IonicContact OE1-NE 3.66Å; E129-R137 PolarHBondContact OE1-NE 3.23Å; E129-R137 IonicContact OE2-CZ 3.67Å; E129-R137 IonicContact OE2-NE 3.53Å; E129-R137 PolarHBondContact OE2-NE 3.44Å; E129-R137 IonicContact OE2-NH2 2.81Å; E129-R137 PolarHBondContact OE2-NH2 2.88Å; E133-R137 VanDerWaalsContact O-CB 3.29Å; E133-R137 WeakPolarHBondContact O-CB 3.26Å; E133-R137 PolarHBondContact O-N 3.34Å; T134-R137 PolarHBondContact O-N 2.92Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 2.91Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 2.86Å; R137-R140 PolarHBondContact O-N 3.4Å; R137-R141 WeakPolarHBondContact O-CB 3.31Å; R137-R141 PolarHBondContact O-N 3.41Å
138I93.3Very high91.5Very high23 Ų2392.5 Ų92.512%0.11844%0.444CS..Hα-helixtrans-58.1-49.1177-70.9168.6000109.5I120 A121 E124 T134 V135 R140 R141 S142I120-I138 HydrophobicContact CG2-CG2 3.59Å; A121-I138 HydrophobicContact CB-CD1 4.34Å; E124-I138 HydrophobicContact CB-CD1 4.16Å; E124-I138 HydrophobicContact CB-CG1 4.04Å; T134-I138 HydrophobicContact CG2-CD1 3.81Å; T134-I138 WeakPolarHBondContact O-CB 3.3Å; T134-I138 VanDerWaalsContact O-CG1 3.28Å; T134-I138 WeakPolarHBondContact O-CG1 3.36Å; T134-I138 PolarHBondContact O-N 3.35Å; V135-I138 PolarHBondContact O-N 2.97Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-R140 PolarHBondContact O-N 3.09Å; I138-R141 PolarHBondContact O-N 3.43Å; I138-S142 WeakPolarHBondContact O-CB 3.37Å; I138-S142 PolarHBondContact O-N 3.42Å; I138-S142 PolarHBondContact O-OG 3.19Å
139F93.3Very high92.4Very high124 Ų12492.5 Ų92.554%0.54444%0.436SS..Hα-helixtrans-60.1-44.2-179.1-174.9-95.4000112.3V135 R137 S142 K143 I148V135-F139 VanDerWaalsContact O-CB 3.25Å; V135-F139 WeakPolarHBondContact O-CB 3.5Å; V135-F139 PolarHBondContact O-N 2.86Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 2.86Å; F139-S142 PolarHBondContact O-N 3.4Å; F139-K143 WeakPolarHBondContact O-CB 3.35Å; F139-K143 PolarHBondContact O-N 3.45Å; F139-I148 HydrophobicContact CD2-CD1 3.91Å; F139-I148 HydrophobicContact CE2-CD1 3.57Å; F139-I148 HydrophobicContact CZ-CD1 3.93Å
140R94Very high93Very high142 Ų14294.9 Ų94.954%0.53645%0.447SS..Hα-helixtrans-59.9-49.1175.7178174.559.8-136-5.3111E136 R137 I138 S142 K143 E144E136-R140 WeakPolarHBondContact O-CB 3.45Å; E136-R140 PolarHBondContact O-N 2.91Å; R137-R140 PolarHBondContact O-N 3.4Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-R140 PolarHBondContact O-N 3.09Å; R140-S142 PolarHBondContact O-N 2.96Å; R140-K143 WeakPolarHBondContact O-CB 3.31Å; R140-K143 PolarHBondContact O-N 3.03Å; R140-K143 VanDerWaalsContact O-N 3.14Å; R140-E144 HydrophobicContact CG-CG 4.4Å; R140-E144 WeakPolarHBondContact CG-OE1 3.38Å; R140-E144 WeakPolarHBondContact O-CG 3.42Å; R140-E144 PolarHBondContact O-N 3.23Å
141R93.7Very high93.4Very high132 Ų13289.6 Ų89.650%0.49842%0.422SS..Hα-helixtrans-61.4-46.1179.1-173.3-176.7-179.4-175.1-1.3112.1E124 R137 I138 K143 E144 N145E124-R141 IonicContact OE1-CZ 2.86Å; E124-R141 IonicContact OE1-NE 3.29Å; E124-R141 IonicContact OE1-NH1 2.83Å; E124-R141 PolarHBondContact OE1-NH1 3.44Å; E124-R141 WeakPolarHBondContact OE2-CD 3.39Å; E124-R141 IonicContact OE2-CZ 2.65Å; E124-R141 IonicContact OE2-NH1 3.28Å; E124-R141 PolarHBondContact OE2-NH1 3.21Å; R137-R141 WeakPolarHBondContact O-CB 3.31Å; R137-R141 PolarHBondContact O-N 3.41Å; I138-R141 PolarHBondContact O-N 3.43Å; R141-K143 PolarHBondContact O-N 3.36Å; R141-E144 PolarHBondContact O-N 3Å; R141-N145 WeakPolarHBondContact O-CB 3.27Å; R141-N145 PolarHBondContact O-N 2.89Å; R141-N145 PolarHBondContact O-OD1 3.29Å
142S93.8Very high93.8Very high7 Ų790.9 Ų90.95%0.04941%0.414CS..Hα-helixtrans-63.9-25176.7-61.20000113.2I138 F139 R140 N145 W147 I148I138-S142 WeakPolarHBondContact O-CB 3.37Å; I138-S142 PolarHBondContact O-N 3.42Å; I138-S142 PolarHBondContact O-OG 3.19Å; F139-S142 PolarHBondContact O-N 3.4Å; R140-S142 PolarHBondContact O-N 2.96Å; S142-N145 VanDerWaalsContact C-OD1 3.24Å; S142-N145 VanDerWaalsContact CA-OD1 3.24Å; S142-N145 WeakPolarHBondContact CA-OD1 3.4Å; S142-N145 PolarHBondContact O-OD1 2.78Å; S142-W147 PolarHBondContact O-N 3.03Å; S142-W147 VanDerWaalsContact O-N 3.09Å; S142-I148 PolarHBondContact O-N 2.96Å; S142-I148 VanDerWaalsContact O-N 3.13Å
143K94.3Very high94.1Very high148 Ų14885.6 Ų85.664%0.64340%0.401SS*.Hα-helixtrans-78.3-47172.5-172.3179177.5-176.90111.1F139 R140 R141 G146 I148F139-K143 WeakPolarHBondContact O-CB 3.35Å; F139-K143 PolarHBondContact O-N 3.45Å; R140-K143 WeakPolarHBondContact O-CB 3.31Å; R140-K143 PolarHBondContact O-N 3.03Å; R140-K143 VanDerWaalsContact O-N 3.14Å; R141-K143 PolarHBondContact O-N 3.36Å; K143-G146 PolarHBondContact O-N 3.29Å; K143-I148 HydrophobicContact CB-CD1 4.05Å
144E95.8Very high94.5Very high146 Ų14683 Ų8368%0.68239%0.389SS*.Hα-helixtrans-65.8-40.2-177.9-73.8169.2-178.800112.6R140 R141 G146R140-E144 HydrophobicContact CG-CG 4.4Å; R140-E144 WeakPolarHBondContact CG-OE1 3.38Å; R140-E144 WeakPolarHBondContact O-CG 3.42Å; R140-E144 PolarHBondContact O-N 3.23Å; R141-E144 PolarHBondContact O-N 3Å; E144-G146 PolarHBondContact O-N 2.82Å
145N95.6Very high94.8Very high102 Ų10283 Ų8355%0.54539%0.388SS..THydrogen-bonded Turntrans-78.9-217773.75.2000113.6R141 S142 W147R141-N145 WeakPolarHBondContact O-CB 3.27Å; R141-N145 PolarHBondContact O-N 2.89Å; R141-N145 PolarHBondContact O-OD1 3.29Å; S142-N145 VanDerWaalsContact C-OD1 3.24Å; S142-N145 VanDerWaalsContact CA-OD1 3.24Å; S142-N145 WeakPolarHBondContact CA-OD1 3.4Å; S142-N145 PolarHBondContact O-OD1 2.78Å; N145-W147 VanDerWaalsContact C-N 3.34Å; N145-W147 PolarHBondContact O-N 2.96Å; N145-W147 WeakPolarHBondContact OD1-CB 3.38Å; N145-W147 PolarHBondContact OD1-N 2.9Å
146G96.1Very high95.1Very high28 Ų2883.3 Ų83.329%0.28938%0.383SS..SBendtrans811.2177.400000115.9K143 E144 I148 K149 E150K143-G146 PolarHBondContact O-N 3.29Å; E144-G146 PolarHBondContact O-N 2.82Å; G146-I148 VanDerWaalsContact C-N 3.32Å; G146-I148 PolarHBondContact O-N 2.74Å; G146-K149 WeakPolarHBondContact O-CB 3.23Å; G146-K149 PolarHBondContact O-N 2.8Å; G146-E150 PolarHBondContact O-N 3.11Å
147W96.3Very high95.3Very high47 Ų4782.6 Ų82.618%0.17838%0.38CS..Hα-helixtrans-57.5-42-177.5-17987000112.7L113 E116 I120 S142 N145 K149 E150 K151L113-W147 HydrophobicContact CD1-CH2 3.56Å; L113-W147 HydrophobicContact CD1-CZ2 4.05Å; L113-W147 HydrophobicContact CD1-CZ3 4.36Å; E116-W147 HydrophobicContact CB-CZ2 4.13Å; I120-W147 HydrophobicContact CD1-CD2 4.32Å; I120-W147 HydrophobicContact CD1-CH2 4.2Å; I120-W147 HydrophobicContact CD1-CZ2 3.81Å; S142-W147 PolarHBondContact O-N 3.03Å; S142-W147 VanDerWaalsContact O-N 3.09Å; N145-W147 VanDerWaalsContact C-N 3.34Å; N145-W147 PolarHBondContact O-N 2.96Å; N145-W147 WeakPolarHBondContact OD1-CB 3.38Å; N145-W147 PolarHBondContact OD1-N 2.9Å; W147-K149 VanDerWaalsContact C-N 3.31Å; W147-K149 PolarHBondContact O-N 2.74Å; W147-E150 WeakPolarHBondContact O-CB 3.25Å; W147-E150 PolarHBondContact O-N 3.31Å; W147-K151 HydrophobicContact CD2-CG 4.06Å; W147-K151 HydrophobicContact CE3-CG 4.32Å; W147-K151 HydrophobicContact CH2-CG 4.13Å; W147-K151 HydrophobicContact CZ2-CD 4.23Å; W147-K151 HydrophobicContact CZ2-CG 3.85Å; W147-K151 HydrophobicContact CZ3-CG 4.36Å; W147-K151 WeakPolarHBondContact O-CG 3.49Å; W147-K151 PolarHBondContact O-N 3.2Å
148I94.7Very high95.5Very high56 Ų5681.7 Ų81.729%0.28738%0.377SS..Hα-helixtrans-61.3-42177.1-63.7175.3000111.1F139 S142 K143 G146 E150 K151 Y152F139-I148 HydrophobicContact CD2-CD1 3.91Å; F139-I148 HydrophobicContact CE2-CD1 3.57Å; F139-I148 HydrophobicContact CZ-CD1 3.93Å; S142-I148 PolarHBondContact O-N 2.96Å; S142-I148 VanDerWaalsContact O-N 3.13Å; K143-I148 HydrophobicContact CB-CD1 4.05Å; G146-I148 VanDerWaalsContact C-N 3.32Å; G146-I148 PolarHBondContact O-N 2.74Å; I148-E150 VanDerWaalsContact C-N 3.34Å; I148-K151 PolarHBondContact O-N 2.89Å; I148-Y152 WeakPolarHBondContact O-CB 3.42Å; I148-Y152 PolarHBondContact O-N 2.98Å
149K96.6Very high95.6Very high172 Ų17281.5 Ų81.575%0.74838%0.376SS*.Hα-helixtrans-66.4-39.2179-174.7-179.3178.2-1770110.9G146 W147 Y152 G153G146-K149 WeakPolarHBondContact O-CB 3.23Å; G146-K149 PolarHBondContact O-N 2.8Å; W147-K149 VanDerWaalsContact C-N 3.31Å; W147-K149 PolarHBondContact O-N 2.74Å; K149-Y152 PolarHBondContact O-N 3.31Å; K149-G153 PolarHBondContact O-N 3.45Å
150E97.2Very high95.7Very high103 Ų10378.7 Ų78.748%0.48137%0.367SS..Hα-helixtrans-60.6-49.3174.9-170.4-166.4150.400111.4G146 W147 I148 Y152 G153 Q154G146-E150 PolarHBondContact O-N 3.11Å; W147-E150 WeakPolarHBondContact O-CB 3.25Å; W147-E150 PolarHBondContact O-N 3.31Å; I148-E150 VanDerWaalsContact C-N 3.34Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 3.4Å; E150-G153 PolarHBondContact O-N 3.17Å; E150-G153 VanDerWaalsContact O-N 3.16Å; E150-Q154 WeakPolarHBondContact O-CG 3.4Å; E150-Q154 PolarHBondContact O-N 3.46Å; E150-Q154 PolarHBondContact OE1-NE2 3.47Å
151K96Very high95.8Very high21 Ų2176 Ų769%0.09136%0.359CS..Hα-helixtrans-63.6-38.7178.9-64.1-62.6166.2-179.10112.7F109 L113 E116 W147 I148 Q154 L155F109-K151 WeakPolarHBondContact CZ-O 3.42Å; L113-K151 HydrophobicContact CD1-CB 4.15Å; L113-K151 HydrophobicContact CD1-CD 4.11Å; L113-K151 HydrophobicContact CD1-CG 3.9Å; E116-K151 IonicContact OE1-NZ 2.78Å; E116-K151 PolarHBondContact OE1-NZ 3.22Å; E116-K151 WeakPolarHBondContact OE2-CE 3.41Å; E116-K151 IonicContact OE2-NZ 3.88Å; E116-K151 PolarHBondContact OE2-NZ 2.96Å; W147-K151 HydrophobicContact CD2-CG 4.06Å; W147-K151 HydrophobicContact CE3-CG 4.32Å; W147-K151 HydrophobicContact CH2-CG 4.13Å; W147-K151 HydrophobicContact CZ2-CD 4.23Å; W147-K151 HydrophobicContact CZ2-CG 3.85Å; W147-K151 HydrophobicContact CZ3-CG 4.36Å; W147-K151 WeakPolarHBondContact O-CG 3.49Å; W147-K151 PolarHBondContact O-N 3.2Å; I148-K151 PolarHBondContact O-N 2.89Å; K151-Q154 PolarHBondContact O-N 3.47Å; K151-L155 PolarHBondContact O-N 2.86Å
152Y94.8Very high95.9Very high148 Ų14869.8 Ų69.858%0.5834%0.336SS*.Hα-helixtrans-61.8-46.2172.3-176.2-88.2000111.7I148 K149 E150 Q154 L155 E156I148-Y152 WeakPolarHBondContact O-CB 3.42Å; I148-Y152 PolarHBondContact O-N 2.98Å; K149-Y152 PolarHBondContact O-N 3.31Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 3.4Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.93Å; Y152-L155 PolarHBondContact O-N 2.92Å; Y152-E156 PolarHBondContact O-N 3.14Å
153G97Very high95.9Very high32 Ų3273 Ų7333%0.3335%0.353SS..Hα-helixtrans-61.4-39.8177.100000113K149 E150 E156 E157K149-G153 PolarHBondContact O-N 3.45Å; E150-G153 PolarHBondContact O-N 3.17Å; E150-G153 VanDerWaalsContact O-N 3.16Å; G153-E156 PolarHBondContact O-N 3.04Å; G153-E157 WeakPolarHBondContact O-CB 3.28Å; G153-E157 PolarHBondContact O-N 2.85Å
154Q96.7Very high95.8Very high46 Ų4674.5 Ų74.522%0.21536%0.355CS..Hα-helixtrans-61.2-45.1174.1-72.8174.4600111.7F109 E150 K151 Y152 E157 Y158F109-Q154 HydrophobicContact CE2-CB 4.35Å; E150-Q154 WeakPolarHBondContact O-CG 3.4Å; E150-Q154 PolarHBondContact O-N 3.46Å; E150-Q154 PolarHBondContact OE1-NE2 3.47Å; K151-Q154 PolarHBondContact O-N 3.47Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.93Å; Q154-E157 PolarHBondContact O-N 3.3Å; Q154-Y158 WeakPolarHBondContact O-CD1 3.4Å; Q154-Y158 PolarHBondContact O-N 2.95Å
155L95.9Very high95.6Very high17 Ų1768.2 Ų68.29%0.08933%0.326CS..Hα-helixtrans-61.4-46.9176.2176.864.7000111.5L8 L106 F109 K151 Y152 E157 Y158 L159L8-L155 HydrophobicContact CD1-CD2 3.65Å; L106-L155 HydrophobicContact CD2-CD1 4.38Å; F109-L155 HydrophobicContact CD1-CD1 3.86Å; F109-L155 HydrophobicContact CE1-CB 3.93Å; F109-L155 HydrophobicContact CE1-CD1 4.06Å; F109-L155 HydrophobicContact CE1-CD2 4.24Å; F109-L155 HydrophobicContact CE1-CG 4.29Å; F109-L155 HydrophobicContact CE2-CB 4.12Å; F109-L155 HydrophobicContact CG-CD1 4.16Å; F109-L155 HydrophobicContact CZ-CB 3.72Å; K151-L155 PolarHBondContact O-N 2.86Å; Y152-L155 PolarHBondContact O-N 2.92Å; L155-E157 VanDerWaalsContact C-N 3.33Å; L155-E157 PolarHBondContact O-N 2.91Å; L155-Y158 PolarHBondContact O-N 3.16Å; L155-Y158 VanDerWaalsContact O-N 3.14Å; L155-L159 HydrophobicContact CD1-CD1 4.3Å; L155-L159 HydrophobicContact CD1-CG 4.26Å; L155-L159 HydrophobicContact CG-CD1 3.99Å; L155-L159 HydrophobicContact CG-CG 4.38Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 2.78Å
156E96.3Very high94.9Very high95 Ų9571.5 Ų71.544%0.44434%0.338SS..Hα-helixtrans-60.6-43179.5-171.6172.9-107.500111.6Y152 G153 Y158 L159 N160Y152-E156 PolarHBondContact O-N 3.14Å; G153-E156 PolarHBondContact O-N 3.04Å; E156-Y158 VanDerWaalsContact C-N 3.31Å; E156-Y158 PolarHBondContact O-N 2.9Å; E156-L159 PolarHBondContact O-N 3.3Å; E156-N160 WeakPolarHBondContact O-CB 3.46Å; E156-N160 PolarHBondContact O-N 2.84Å; E156-N160 PolarHBondContact O-ND2 2.83Å
157E97Very high93.7Very high90 Ų9073.8 Ų73.842%0.42134%0.341SS..Hα-helixtrans-58-44.2173.6-165.5-163.2-159.300111.4G153 Q154 L155 N160 F161G153-E157 WeakPolarHBondContact O-CB 3.28Å; G153-E157 PolarHBondContact O-N 2.85Å; Q154-E157 PolarHBondContact O-N 3.3Å; L155-E157 VanDerWaalsContact C-N 3.33Å; L155-E157 PolarHBondContact O-N 2.91Å; E157-N160 PolarHBondContact O-N 2.87Å; E157-F161 VanDerWaalsContact CD-CE2 3.41Å; E157-F161 HydrophobicContact CG-CD2 4.14Å; E157-F161 HydrophobicContact CG-CE1 4.3Å; E157-F161 HydrophobicContact CG-CE2 3.44Å; E157-F161 VanDerWaalsContact CG-CE2 3.44Å; E157-F161 HydrophobicContact CG-CZ 3.53Å; E157-F161 VanDerWaalsContact O-CD2 3.31Å; E157-F161 WeakPolarHBondContact O-CD2 3.49Å; E157-F161 VanDerWaalsContact O-CG 3.3Å; E157-F161 WeakPolarHBondContact O-CG 3.45Å; E157-F161 PolarHBondContact O-N 3.45Å; E157-F161 WeakPolarHBondContact OE1-CE2 3.37Å; E157-F161 VanDerWaalsContact OE1-CZ 3.22Å; E157-F161 WeakPolarHBondContact OE1-CZ 3.27Å
158Y96.5Very high92Very high37 Ų3775.7 Ų75.715%0.14535%0.352CS..Hα-helixtrans-69.3-37.9-178.6-61.3-4.7000112K105 F109 Q154 L155 E156 F161 A162K105-Y158 HydrophobicContact CB-CD2 3.69Å; K105-Y158 HydrophobicContact CB-CE2 3.84Å; K105-Y158 HydrophobicContact CB-CG 4.04Å; K105-Y158 HydrophobicContact CD-CD1 3.85Å; K105-Y158 HydrophobicContact CD-CD2 4.36Å; K105-Y158 HydrophobicContact CD-CE1 3.67Å; K105-Y158 HydrophobicContact CD-CE2 4.11Å; K105-Y158 HydrophobicContact CD-CG 4.22Å; K105-Y158 HydrophobicContact CG-CD2 4.32Å; K105-Y158 HydrophobicContact CG-CE1 4.46Å; K105-Y158 HydrophobicContact CG-CE2 4.02Å; F109-Y158 HydrophobicContact CD2-CD2 4.14Å; F109-Y158 HydrophobicContact CD2-CE2 4.05Å; Q154-Y158 WeakPolarHBondContact O-CD1 3.4Å; Q154-Y158 PolarHBondContact O-N 2.95Å; L155-Y158 PolarHBondContact O-N 3.16Å; L155-Y158 VanDerWaalsContact O-N 3.14Å; E156-Y158 VanDerWaalsContact C-N 3.31Å; E156-Y158 PolarHBondContact O-N 2.9Å; Y158-F161 HydrophobicContact CD1-CD2 4.33Å; Y158-F161 PolarHBondContact O-N 2.85Å; Y158-A162 PolarHBondContact O-N 3.41Å; Y158-A162 VanDerWaalsContact O-N 3.15Å
159L96.1Very high90.1Very high18 Ų1882.1 Ų82.19%0.09438%0.378CS..Hα-helixtrans-62.4-45.9173.1-69.1170000110.5F12 R16 L106 L155 E156 F161 A162 D163F12-L159 HydrophobicContact CB-CD1 4.41Å; F12-L159 HydrophobicContact CB-CD2 4.36Å; R16-L159 HydrophobicContact CG-CD2 4.46Å; L106-L159 HydrophobicContact CD2-CD2 3.9Å; L106-L159 HydrophobicContact CD2-CG 4.2Å; L155-L159 HydrophobicContact CD1-CD1 4.3Å; L155-L159 HydrophobicContact CD1-CG 4.26Å; L155-L159 HydrophobicContact CG-CD1 3.99Å; L155-L159 HydrophobicContact CG-CG 4.38Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 2.78Å; E156-L159 PolarHBondContact O-N 3.3Å; L159-F161 PolarHBondContact O-N 2.89Å; L159-A162 PolarHBondContact O-N 3.31Å; L159-A162 VanDerWaalsContact O-N 3.13Å; L159-D163 PolarHBondContact O-N 2.95Å
160N95.7Very high87.8Confident66 Ų6680.4 Ų80.435%0.35337%0.37SS..Hα-helixtrans-60.9-43.7176.5-71.9-28.1000111.8E156 E157 A162 D163 Y164E156-N160 WeakPolarHBondContact O-CB 3.46Å; E156-N160 PolarHBondContact O-N 2.84Å; E156-N160 PolarHBondContact O-ND2 2.83Å; E157-N160 PolarHBondContact O-N 2.87Å; N160-A162 PolarHBondContact O-N 3.25Å; N160-D163 PolarHBondContact O-N 2.83Å; N160-Y164 HydrophobicContact CB-CD2 4.25Å; N160-Y164 HydrophobicContact CB-CE2 4.36Å; N160-Y164 WeakPolarHBondContact O-CB 3.31Å; N160-Y164 WeakPolarHBondContact O-CD2 3.44Å; N160-Y164 PolarHBondContact O-N 2.96Å
161F95.4Very high85Confident85 Ų8584.7 Ų84.737%0.37339%0.391SS..Hα-helixtrans-60.2-34.1175.9-69-33.8000113.2I102 E157 Y158 L159 F165I102-F161 HydrophobicContact CD1-CB 3.99Å; I102-F161 HydrophobicContact CG1-CB 4Å; I102-F161 HydrophobicContact CG2-CB 4.01Å; E157-F161 VanDerWaalsContact CD-CE2 3.41Å; E157-F161 HydrophobicContact CG-CD2 4.14Å; E157-F161 HydrophobicContact CG-CE1 4.3Å; E157-F161 HydrophobicContact CG-CE2 3.44Å; E157-F161 VanDerWaalsContact CG-CE2 3.44Å; E157-F161 HydrophobicContact CG-CZ 3.53Å; E157-F161 VanDerWaalsContact O-CD2 3.31Å; E157-F161 WeakPolarHBondContact O-CD2 3.49Å; E157-F161 VanDerWaalsContact O-CG 3.3Å; E157-F161 WeakPolarHBondContact O-CG 3.45Å; E157-F161 PolarHBondContact O-N 3.45Å; E157-F161 WeakPolarHBondContact OE1-CE2 3.37Å; E157-F161 VanDerWaalsContact OE1-CZ 3.22Å; E157-F161 WeakPolarHBondContact OE1-CZ 3.27Å; Y158-F161 HydrophobicContact CD1-CD2 4.33Å; Y158-F161 PolarHBondContact O-N 2.85Å; L159-F161 PolarHBondContact O-N 2.89Å; F161-F165 PolarHBondContact O-N 3.16Å
162A95.3Very high82.2Confident1 Ų195 Ų951%0.00845%0.446CS..Hα-helixtrans-74.7-43.9175.700000112.2R16 L20 I102 L106 Y158 L159 N160 Y164 F165R16-A162 HydrophobicContact CB-CB 3.8Å; R16-A162 HydrophobicContact CG-CB 3.79Å; L20-A162 HydrophobicContact CD1-CB 3.91Å; L20-A162 HydrophobicContact CD2-CB 4.47Å; L20-A162 HydrophobicContact CG-CB 4.29Å; I102-A162 HydrophobicContact CG2-CB 3.87Å; L106-A162 HydrophobicContact CD1-CB 3.56Å; Y158-A162 PolarHBondContact O-N 3.41Å; Y158-A162 VanDerWaalsContact O-N 3.15Å; L159-A162 PolarHBondContact O-N 3.31Å; L159-A162 VanDerWaalsContact O-N 3.13Å; N160-A162 PolarHBondContact O-N 3.25Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 3.47Å; A162-F165 WeakPolarHBondContact O-CB 3.09Å; A162-F165 PolarHBondContact O-N 3.12Å
163D93.9Very high81.6Confident76 Ų7692.4 Ų92.441%0.40644%0.439SS..Hα-helixtrans-64.1-39.8-179.4-72.3-14.9000111.4R16 L159 N160R16-D163 WeakPolarHBondContact CG-OD1 3.22Å; R16-D163 IonicContact CZ-OD1 2.87Å; R16-D163 IonicContact CZ-OD2 2.67Å; R16-D163 IonicContact NE-OD1 2.71Å; R16-D163 PolarHBondContact NE-OD1 3.38Å; R16-D163 IonicContact NE-OD2 3.15Å; R16-D163 PolarHBondContact NE-OD2 3.32Å; R16-D163 IonicContact NH2-OD1 3.14Å; R16-D163 IonicContact NH2-OD2 3.24Å; R16-D163 PolarHBondContact NH2-OD2 2.93Å; L159-D163 PolarHBondContact O-N 2.95Å; N160-D163 PolarHBondContact O-N 2.83Å
164Y92.3Very high80.7Confident179 Ų17995.6 Ų95.670%0.70245%0.445SS*.THydrogen-bonded Turntrans-94.315.6178.7-59.9-65.5000114N160 A162 Q166N160-Y164 HydrophobicContact CB-CD2 4.25Å; N160-Y164 HydrophobicContact CB-CE2 4.36Å; N160-Y164 WeakPolarHBondContact O-CB 3.31Å; N160-Y164 WeakPolarHBondContact O-CD2 3.44Å; N160-Y164 PolarHBondContact O-N 2.96Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 3.47Å; Y164-Q166 PolarHBondContact O-N 3.26Å
165F92Very high79.9Confident14 Ų1498.3 Ų98.36%0.06146%0.457CS..  trans-62.9109-179.6-171.3-94.3000111.3L20 R23 I95 R99 I102 F161 A162 E167L20-F165 HydrophobicContact CD2-CB 3.92Å; L20-F165 HydrophobicContact CD2-CD1 4.28Å; L20-F165 HydrophobicContact CD2-CD2 4.3Å; L20-F165 HydrophobicContact CD2-CG 3.89Å; R23-F165 PolarHBondContact NH1-O 3.24Å; R23-F165 PolarHBondContact NH2-O 3.5Å; I95-F165 HydrophobicContact CG2-CE1 4.35Å; I95-F165 HydrophobicContact CG2-CZ 4.17Å; R99-F165 HydrophobicContact CB-CE1 4.27Å; R99-F165 HydrophobicContact CB-CE2 4.02Å; R99-F165 HydrophobicContact CB-CZ 3.62Å; R99-F165 HydrophobicContact CG-CZ 4.29Å; I102-F165 HydrophobicContact CD1-CD2 3.47Å; I102-F165 VanDerWaalsContact CD1-CD2 3.47Å; I102-F165 HydrophobicContact CD1-CE2 3.87Å; F161-F165 PolarHBondContact O-N 3.16Å; A162-F165 WeakPolarHBondContact O-CB 3.09Å; A162-F165 PolarHBondContact O-N 3.12Å; F165-E167 HydrophobicContact CE1-CG 4.28Å
166Q81.3Confident78.9Confident171 Ų171103.1 Ų103.180%0.79948%0.479SS*.PPolyproline II helixtrans-85.2125.5174.8-64-169.8-900110.2Y164Y164-Q166 PolarHBondContact O-N 3.26Å
167E71.4Confident77.8Confident75 Ų75103.6 Ų103.635%0.3548%0.481SS..PPolyproline II helixtrans-76133.1163.1-74.4165.5-119.500108.1R23 R99 F165 K169R23-E167 WeakPolarHBondContact CB-OE1 3.11Å; R23-E167 IonicContact CZ-OE1 3.88Å; R23-E167 IonicContact NE-OE1 3.01Å; R23-E167 PolarHBondContact NE-OE1 2.67Å; R23-E167 IonicContact NH2-OE1 3.68Å; R23-E167 PolarHBondContact NH2-OE1 3.34Å; R99-E167 VanDerWaalsContact NH2-CG 3.3Å; R99-E167 IonicContact NH2-OE1 2.9Å; F165-E167 HydrophobicContact CE1-CG 4.28Å; E167-K169 PolarHBondContact O-N 3.04Å
168E59.3Low76.6Confident87 Ų87104.5 Ų104.541%0.40749%0.485SS..PPolyproline II helixtrans-52.6120.8164.8-101161.2-171.200106.8R94 I95 F170R94-E168 WeakPolarHBondContact CD-OE1 2.88Å; R94-E168 IonicContact CZ-OE1 2.83Å; R94-E168 IonicContact NE-OE1 2.7Å; R94-E168 IonicContact NH1-OE1 3.9Å; R94-E168 PolarHBondContact NH1-OE1 2.9Å; I95-E168 HydrophobicContact CD1-CB 3.75Å; I95-E168 HydrophobicContact CD1-CG 3.71Å; I95-E168 HydrophobicContact CG1-CB 3.87Å; I95-E168 HydrophobicContact CG1-CG 4.17Å; I95-E168 VanDerWaalsContact CG1-OE2 3.23Å; I95-E168 WeakPolarHBondContact CG1-OE2 3.37Å; E168-F170 PolarHBondContact O-N 2.7Å; E168-F170 VanDerWaalsContact O-N 3.14Å
169K55.5Low75.1Confident192 Ų192109.4 Ų109.484%0.83551%0.51SS*.PPolyproline II helixtrans-56.7121.2163.4-71.9-177.2178.1179.80105.3E167 E171E167-K169 PolarHBondContact O-N 3.04Å; K169-E171 PolarHBondContact O-N 2.82Å
170F48.4Very low73.5Confident135 Ų135116.4 Ų116.459%0.59254%0.541SS*.  trans-60.7106.5167.8-64.9-88.6000105.6L57 E168 L172L57-F170 HydrophobicContact CD1-CZ 4.5Å; E168-F170 PolarHBondContact O-N 2.7Å; E168-F170 VanDerWaalsContact O-N 3.14Å; F170-L172 PolarHBondContact O-N 3.05Å; F170-L172 VanDerWaalsContact O-N 3.12Å
171E38.7Very low71.7Confident194 Ų194120.6 Ų120.691%0.90756%0.557SS**  trans-63.5111.5156.2-70.5-170.6173.700104.7K169K169-E171 PolarHBondContact O-N 2.82Å
172L36.6Very low69.5Low238 Ų238123.8 Ų123.8100%1.24657%0.574SS**  trans-60.50176.1-88.5158000110.4F170F170-L172 PolarHBondContact O-N 3.05Å; F170-L172 VanDerWaalsContact O-N 3.12Å

Retrieved 172 of 172 residues in 811.4 ms (Link to these results)

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