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ADP-ribosylation factor-related protein 1

Trans-Golgi-associated GTPase that regulates protein sorting. Controls the targeting of ARL1 and its effector to the trans-Golgi. Required for the lipidation of chylomicrons in the intestine and required for VLDL lipidation in the liver.

AlphaFold DB (Q5R579), UniProt , Accession A0A096NN52, Species PAPAN (Papio anubis, Olive baboon), Gene ARFRP1, Length 201 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
1M59.3Low68Low182 Ų182121.3 Ų121.390%0.89759%0.586SS**  0-45.50-144.9168.985.800112.5T3 L4 L5M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 2.81Å; M1-L4 PolarHBondContact O-N 3.46Å; M1-L5 HydrophobicContact CE-CD1 4.27Å; M1-L5 HydrophobicContact CG-CD1 4.33Å; M1-L5 PolarHBondContact O-N 3.47Å
2Y64.8Low67.7Low205 Ų205121.3 Ų121.380%0.80459%0.587SS**Hα-helixtrans-56.7-35.4178.1-66.1-71.7000114.8L5 S6Y2-L5 PolarHBondContact O-N 3.24Å; Y2-S6 VanDerWaalsContact O-CB 3.27Å; Y2-S6 WeakPolarHBondContact O-CB 3.3Å; Y2-S6 PolarHBondContact O-N 3.27Å; Y2-S6 PolarHBondContact O-OG 2.83Å; Y2-S6 VanDerWaalsContact O-OG 3.06Å
3T70Confident67.9Low112 Ų112121.5 Ų121.569%0.68758%0.584SS**Hα-helixtrans-67.5-35.7179.5-33.60000113.2M1 S6 G7M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 2.81Å; T3-S6 WeakPolarHBondContact CA-OG 3.33Å; T3-S6 PolarHBondContact O-OG 2.83Å; T3-S6 VanDerWaalsContact O-OG 3.11Å; T3-G7 PolarHBondContact O-N 3.06Å
4L72.1Confident68.6Low142 Ų142118.4 Ų118.474%0.74357%0.568SS**Hα-helixtrans-74.6-40.3177.2-68.5173.6000111.1M1 G7 L8M1-L4 PolarHBondContact O-N 3.46Å; L4-G7 PolarHBondContact O-N 3.23Å; L4-L8 WeakPolarHBondContact O-CB 3.19Å; L4-L8 PolarHBondContact O-N 3.48Å
5L74.2Confident69.6Low97 Ų97115.3 Ų115.351%0.50855%0.551SS.*Hα-helixtrans-65.4-42.2174.5-83.3152.8000111.7M1 Y2 Y9M1-L5 HydrophobicContact CE-CD1 4.27Å; M1-L5 HydrophobicContact CG-CD1 4.33Å; M1-L5 PolarHBondContact O-N 3.47Å; Y2-L5 PolarHBondContact O-N 3.24Å; L5-Y9 WeakPolarHBondContact O-CB 3.22Å; L5-Y9 PolarHBondContact O-N 3.42Å
6S68.5Low71Confident52 Ų52113.3 Ų113.336%0.36454%0.544SS..Hα-helixtrans-70.1-37176.569.30000111.8Y2 T3 K10Y2-S6 VanDerWaalsContact O-CB 3.27Å; Y2-S6 WeakPolarHBondContact O-CB 3.3Å; Y2-S6 PolarHBondContact O-N 3.27Å; Y2-S6 PolarHBondContact O-OG 2.83Å; Y2-S6 VanDerWaalsContact O-OG 3.06Å; T3-S6 WeakPolarHBondContact CA-OG 3.33Å; T3-S6 PolarHBondContact O-OG 2.83Å; T3-S6 VanDerWaalsContact O-OG 3.11Å; S6-K10 VanDerWaalsContact O-CB 3.27Å; S6-K10 WeakPolarHBondContact O-CB 3.27Å; S6-K10 VanDerWaalsContact O-CG 3.23Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 3.39Å
7G70.5Confident72.4Confident20 Ų20106.8 Ų106.821%0.20651%0.513CS..Hα-helixtrans-63.1-46.417200000112.2T3 L4 K10 Y11T3-G7 PolarHBondContact O-N 3.06Å; L4-G7 PolarHBondContact O-N 3.23Å; G7-K10 PolarHBondContact O-N 2.92Å; G7-Y11 VanDerWaalsContact O-CB 3.26Å; G7-Y11 WeakPolarHBondContact O-CB 3.26Å; G7-Y11 PolarHBondContact O-N 2.85Å
8L68.8Low73.8Confident95 Ų95101.3 Ų101.350%0.49749%0.486SS..Hα-helixtrans-64.4-43.7176-178.863.2000111.6L4 Y11 M12L4-L8 WeakPolarHBondContact O-CB 3.19Å; L4-L8 PolarHBondContact O-N 3.48Å; L8-Y11 PolarHBondContact O-N 3.36Å; L8-M12 HydrophobicContact CD1-CG 4.26Å; L8-M12 HydrophobicContact CD1-SD 4.15Å; L8-M12 HydrophobicContact CG-CG 4.49Å; L8-M12 HydrophobicContact CG-SD 3.97Å; L8-M12 WeakPolarHBondContact O-CB 3.15Å; L8-M12 VanDerWaalsContact O-CG 3.3Å; L8-M12 WeakPolarHBondContact O-CG 3.23Å; L8-M12 PolarHBondContact O-N 3.41Å
9Y67.3Low75Confident149 Ų14996.1 Ų96.158%0.58446%0.461SS*.Hα-helixtrans-61.3-50.7175.1-175-87.2000110.5L5 Y11 M12 F13L5-Y9 WeakPolarHBondContact O-CB 3.22Å; L5-Y9 PolarHBondContact O-N 3.42Å; Y9-Y11 VanDerWaalsContact C-N 3.31Å; Y9-Y11 PolarHBondContact O-N 3.39Å; Y9-M12 PolarHBondContact O-N 2.82Å; Y9-F13 AromaticContact CD1-CD2 3.75Å; Y9-F13 HydrophobicContact CD1-CD2 3.75Å; Y9-F13 HydrophobicContact CD1-CE2 4.39Å; Y9-F13 AromaticContact CD2-CD2 3.48Å; Y9-F13 HydrophobicContact CD2-CD2 3.48Å; Y9-F13 VanDerWaalsContact CD2-CD2 3.48Å; Y9-F13 AromaticContact CD2-CE2 3.26Å; Y9-F13 HydrophobicContact CD2-CE2 3.26Å; Y9-F13 HydrophobicContact CD2-CZ 4.41Å; Y9-F13 AromaticContact CE1-CD2 3.64Å; Y9-F13 HydrophobicContact CE1-CD2 3.64Å; Y9-F13 HydrophobicContact CE1-CE2 4.23Å; Y9-F13 HydrophobicContact CE1-CG 4.26Å; Y9-F13 AromaticContact CE2-CD2 3.37Å; Y9-F13 HydrophobicContact CE2-CD2 3.37Å; Y9-F13 AromaticContact CE2-CE2 3.06Å; Y9-F13 HydrophobicContact CE2-CE2 3.06Å; Y9-F13 HydrophobicContact CE2-CG 4.44Å; Y9-F13 AromaticContact CE2-CZ 3.89Å; Y9-F13 HydrophobicContact CE2-CZ 3.89Å; Y9-F13 AromaticContact CG-CD2 3.65Å; Y9-F13 HydrophobicContact CG-CD2 3.65Å; Y9-F13 AromaticContact CG-CE2 3.94Å; Y9-F13 HydrophobicContact CG-CE2 3.94Å; Y9-F13 AromaticContact CZ-CD2 3.43Å; Y9-F13 VanDerWaalsContact CZ-CD2 3.43Å; Y9-F13 AromaticContact CZ-CE2 3.58Å; Y9-F13 WeakPolarHBondContact O-CB 3.27Å; Y9-F13 WeakPolarHBondContact O-CD2 3.44Å; Y9-F13 PolarHBondContact O-N 2.87Å
10K65.3Low76.2Confident128 Ų12891.3 Ų91.356%0.55744%0.438SS*.Hα-helixtrans-56.2-46.8176-79.1177.3179.7-178.60111.4S6 G7 F13 Q14S6-K10 VanDerWaalsContact O-CB 3.27Å; S6-K10 WeakPolarHBondContact O-CB 3.27Å; S6-K10 VanDerWaalsContact O-CG 3.23Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 3.39Å; G7-K10 PolarHBondContact O-N 2.92Å; K10-F13 PolarHBondContact O-N 3.11Å; K10-Q14 VanDerWaalsContact O-CB 3.26Å; K10-Q14 WeakPolarHBondContact O-CB 3.26Å; K10-Q14 PolarHBondContact O-N 3.24Å
11Y67.5Low77.3Confident152 Ų15286.9 Ų86.960%0.59642%0.417SS*.Hα-helixtrans-59.8-47.9177.6178.1-108.6000112.1G7 L8 Y9 F13 Q14 I200G7-Y11 VanDerWaalsContact O-CB 3.26Å; G7-Y11 WeakPolarHBondContact O-CB 3.26Å; G7-Y11 PolarHBondContact O-N 2.85Å; L8-Y11 PolarHBondContact O-N 3.36Å; Y9-Y11 VanDerWaalsContact C-N 3.31Å; Y9-Y11 PolarHBondContact O-N 3.39Å; Y11-F13 VanDerWaalsContact C-N 3.34Å; Y11-F13 PolarHBondContact O-N 2.84Å; Y11-Q14 PolarHBondContact O-N 2.91Å; Y11-I200 HydrophobicContact CD2-CD1 3.4Å; Y11-I200 HydrophobicContact CD2-CG1 4.45Å; Y11-I200 HydrophobicContact CE2-CD1 4.07Å; Y11-I200 HydrophobicContact CG-CD1 4.12Å
12M64.4Low79.2Confident121 Ų12178.2 Ų78.260%0.59638%0.375SS*.Hα-helixtrans-66.2-32.3179.9-78.5176.135.200113.9L8 Y9L8-M12 HydrophobicContact CD1-CG 4.26Å; L8-M12 HydrophobicContact CD1-SD 4.15Å; L8-M12 HydrophobicContact CG-CG 4.49Å; L8-M12 HydrophobicContact CG-SD 3.97Å; L8-M12 WeakPolarHBondContact O-CB 3.15Å; L8-M12 VanDerWaalsContact O-CG 3.3Å; L8-M12 WeakPolarHBondContact O-CG 3.23Å; L8-M12 PolarHBondContact O-N 3.41Å; Y9-M12 PolarHBondContact O-N 2.82Å
13F70.6Confident80.8Confident125 Ų12568.5 Ų68.555%0.54834%0.336SS..Hα-helixtrans-102.55.5-177.1-67.1-74.5000113.3Y9 K10 Y11Y9-F13 AromaticContact CD1-CD2 3.75Å; Y9-F13 HydrophobicContact CD1-CD2 3.75Å; Y9-F13 HydrophobicContact CD1-CE2 4.39Å; Y9-F13 AromaticContact CD2-CD2 3.48Å; Y9-F13 HydrophobicContact CD2-CD2 3.48Å; Y9-F13 VanDerWaalsContact CD2-CD2 3.48Å; Y9-F13 AromaticContact CD2-CE2 3.26Å; Y9-F13 HydrophobicContact CD2-CE2 3.26Å; Y9-F13 HydrophobicContact CD2-CZ 4.41Å; Y9-F13 AromaticContact CE1-CD2 3.64Å; Y9-F13 HydrophobicContact CE1-CD2 3.64Å; Y9-F13 HydrophobicContact CE1-CE2 4.23Å; Y9-F13 HydrophobicContact CE1-CG 4.26Å; Y9-F13 AromaticContact CE2-CD2 3.37Å; Y9-F13 HydrophobicContact CE2-CD2 3.37Å; Y9-F13 AromaticContact CE2-CE2 3.06Å; Y9-F13 HydrophobicContact CE2-CE2 3.06Å; Y9-F13 HydrophobicContact CE2-CG 4.44Å; Y9-F13 AromaticContact CE2-CZ 3.89Å; Y9-F13 HydrophobicContact CE2-CZ 3.89Å; Y9-F13 AromaticContact CG-CD2 3.65Å; Y9-F13 HydrophobicContact CG-CD2 3.65Å; Y9-F13 AromaticContact CG-CE2 3.94Å; Y9-F13 HydrophobicContact CG-CE2 3.94Å; Y9-F13 AromaticContact CZ-CD2 3.43Å; Y9-F13 VanDerWaalsContact CZ-CD2 3.43Å; Y9-F13 AromaticContact CZ-CE2 3.58Å; Y9-F13 WeakPolarHBondContact O-CB 3.27Å; Y9-F13 WeakPolarHBondContact O-CD2 3.44Å; Y9-F13 PolarHBondContact O-N 2.87Å; K10-F13 PolarHBondContact O-N 3.11Å; Y11-F13 VanDerWaalsContact C-N 3.34Å; Y11-F13 PolarHBondContact O-N 2.84Å
14Q76.9Confident82.1Confident77 Ų7763.1 Ų63.136%0.3630%0.304SS..PPolyproline II helixtrans-71.2133.9175.6-176.2168.6-19.900110K10 Y11K10-Q14 VanDerWaalsContact O-CB 3.26Å; K10-Q14 WeakPolarHBondContact O-CB 3.26Å; K10-Q14 PolarHBondContact O-N 3.24Å; Y11-Q14 PolarHBondContact O-N 2.91Å
15K84Confident83.4Confident72 Ų7256.7 Ų56.731%0.31327%0.27SS..PPolyproline II helixtrans-83.4139.5173.4-67.4-175-177.5179.90109.7E17 D65 K68 R70K15-E17 PolarHBondContact O-N 3.3Å; K15-D65 HydrophobicContact CD-CB 4.44Å; K15-D65 IonicContact NZ-OD2 2.74Å; K15-D65 PolarHBondContact NZ-OD2 3.08Å; K15-K68 VanDerWaalsContact CB-O 3.32Å; K15-K68 WeakPolarHBondContact CB-O 3.25Å; K15-R70 HydrophobicContact CB-CB 4.21Å
16D91.4Very high84.4Confident84 Ų8453.9 Ų53.945%0.44926%0.255SS..EExtended strand (participates in β ladder)trans-62.4122.5171-69.3-28.1000109.2Y18 K68 A69 R70 P195D16-Y18 HydrophobicContact CB-CE2 3.62Å; D16-K68 PolarHBondContact N-O 2.95Å; D16-A69 CarbonylContact O-C 3.59Å; D16-A69 WeakPolarHBondContact O-CA 3.32Å; D16-R70 PolarHBondContact O-N 3.2Å; D16-P195 HydrophobicContact CB-CB 3.75Å; D16-P195 HydrophobicContact CB-CG 3.97Å
17E94.5Very high85.7Confident2 Ų256.3 Ų56.31%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-103.1129.3-175.9-176.8163.390.600111.2K15 R70 M72 P195 R196 R198K15-E17 PolarHBondContact O-N 3.3Å; E17-R70 CarbonylContact C-O 3.6Å; E17-R70 WeakPolarHBondContact CA-O 3.19Å; E17-R70 HydrophobicContact CB-CB 4.5Å; E17-R70 HydrophobicContact CG-CG 4.35Å; E17-R70 WeakPolarHBondContact OE2-CD 3.27Å; E17-M72 HydrophobicContact CG-CB 4.38Å; E17-P195 CarbonylContact O-C 3.59Å; E17-P195 WeakPolarHBondContact O-CA 3.2Å; E17-R196 HydrophobicContact CB-CB 4.49Å; E17-R196 PolarHBondContact O-N 3.11Å; E17-R198 IonicContact OE1-CZ 2.59Å; E17-R198 IonicContact OE1-NE 3.78Å; E17-R198 PolarHBondContact OE1-NE 3.17Å; E17-R198 IonicContact OE1-NH2 2.82Å; E17-R198 PolarHBondContact OE1-NH2 3.01Å; E17-R198 IonicContact OE2-CZ 3.34Å; E17-R198 IonicContact OE2-NE 3.68Å; E17-R198 IonicContact OE2-NH2 3.15Å; E17-R198 PolarHBondContact OE2-NH2 3.32Å
18Y97.7Very high87Confident8 Ų855.5 Ų55.53%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-124127.4-179.3-60.1-91.2000110.1D16 A69 R70 L71 M72 H94 V187 V188 P195D16-Y18 HydrophobicContact CB-CE2 3.62Å; Y18-A69 HydrophobicContact CD2-CB 4.22Å; Y18-A69 HydrophobicContact CE2-CB 4.1Å; Y18-R70 PolarHBondContact N-O 3.31Å; Y18-L71 HydrophobicContact CD2-CD2 4.43Å; Y18-L71 CarbonylContact O-C 3.55Å; Y18-L71 WeakPolarHBondContact O-CA 3.29Å; Y18-M72 PolarHBondContact O-N 3.12Å; Y18-H94 HydrophobicContact CD1-CB 4.1Å; Y18-H94 AromaticContact CD1-CD2 3.74Å; Y18-V187 HydrophobicContact CD1-CB 3.69Å; Y18-V187 HydrophobicContact CD1-CG2 3.64Å; Y18-V187 HydrophobicContact CD2-CG2 3.98Å; Y18-V187 HydrophobicContact CE1-CB 4.15Å; Y18-V187 HydrophobicContact CE1-CG2 4.09Å; Y18-V187 HydrophobicContact CE2-CG2 4.41Å; Y18-V187 HydrophobicContact CG-CB 4.1Å; Y18-V187 HydrophobicContact CG-CG2 3.57Å; Y18-V188 HydrophobicContact CE2-CG2 3.88Å; Y18-P195 HydrophobicContact CD1-CB 4.37Å; Y18-P195 HydrophobicContact CE1-CB 3.88Å; Y18-P195 HydrophobicContact CE1-CG 4.44Å; Y18-P195 HydrophobicContact CE2-CB 4.14Å
19C97.9Very high88.4Confident2 Ų251.5 Ų51.51%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-81.8123176.4-510000110.4M72 W74 H94 G95C19-M72 CarbonylContact C-O 3.59Å; C19-M72 WeakPolarHBondContact CA-O 3.26Å; C19-M72 HydrophobicContact CB-CE 4.19Å; C19-M72 WeakPolarHBondContact SG-CE 3.32Å; C19-W74 HydrophobicContact CB-CE3 4.41Å; C19-W74 HydrophobicContact CB-CH2 3.98Å; C19-W74 HydrophobicContact CB-CZ2 4.11Å; C19-W74 HydrophobicContact CB-CZ3 4.13Å; C19-H94 WeakPolarHBondContact CB-ND1 3.32Å; C19-H94 PolarHBondContact N-ND1 2.95Å; C19-H94 PolarHBondContact O-N 2.86Å; C19-G95 PolarHBondContact O-N 2.9Å
20I98.7Very high89.9Confident0 Ų045 Ų450%021%0.212CC..EExtended strand (participates in β ladder)trans-117.7123.1-179.7-52.1-59.4000109.6L71 M72 F73 W74 G95 I97 M183 V187I20-L71 HydrophobicContact CD1-CD2 4.23Å; I20-L71 HydrophobicContact CG1-CB 4.08Å; I20-L71 HydrophobicContact CG1-CD1 4.2Å; I20-L71 HydrophobicContact CG1-CD2 4.04Å; I20-L71 HydrophobicContact CG1-CG 4.33Å; I20-M72 PolarHBondContact N-O 2.71Å; I20-F73 HydrophobicContact CB-CD1 3.65Å; I20-F73 HydrophobicContact CB-CE1 3.88Å; I20-F73 HydrophobicContact CG1-CD1 4.4Å; I20-F73 HydrophobicContact CG1-CE1 4.22Å; I20-F73 HydrophobicContact CG2-CD1 3.79Å; I20-F73 HydrophobicContact CG2-CE1 3.82Å; I20-F73 CarbonylContact O-C 3.59Å; I20-F73 VanDerWaalsContact O-CA 3.25Å; I20-F73 WeakPolarHBondContact O-CA 3.44Å; I20-W74 PolarHBondContact O-N 3.31Å; I20-G95 WeakPolarHBondContact CA-O 3.35Å; I20-I97 HydrophobicContact CG2-CD1 3.85Å; I20-I97 HydrophobicContact CG2-CG1 3.77Å; I20-M183 HydrophobicContact CD1-CG 3.8Å; I20-M183 HydrophobicContact CD1-SD 4.1Å; I20-M183 HydrophobicContact CG1-CG 4.36Å; I20-M183 HydrophobicContact CG2-CG 4.4Å; I20-V187 HydrophobicContact CD1-CG1 3.81Å
21L98.6Very high91.5Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-81.5136.6173.7-73.6175.1000110.8L23 W74 L76 Y89 Y90 C93 G95 V96 I97L21-L23 HydrophobicContact CB-CD1 4.45Å; L21-L23 HydrophobicContact CB-CD2 4.4Å; L21-L23 HydrophobicContact CB-CG 4.15Å; L21-W74 HydrophobicContact CD2-CB 3.88Å; L21-W74 HydrophobicContact CD2-CE3 3.78Å; L21-W74 HydrophobicContact CG-CE3 4.48Å; L21-L76 HydrophobicContact CD2-CD1 4.2Å; L21-Y89 HydrophobicContact CD2-CG 4.38Å; L21-Y90 HydrophobicContact CD1-CD1 3.63Å; L21-Y90 HydrophobicContact CD1-CE1 4.15Å; L21-C93 HydrophobicContact CD1-CB 3.62Å; L21-C93 HydrophobicContact CG-CB 3.63Å; L21-G95 PolarHBondContact N-O 3.08Å; L21-V96 HydrophobicContact CB-CG2 4.33Å; L21-V96 HydrophobicContact CD1-CG2 4.47Å; L21-V96 CarbonylContact O-C 3.6Å; L21-I97 PolarHBondContact O-N 2.82Å
22I98.8Very high92.9Very high0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-112.1112.3167.9-49.3176.8000107.9K30 F33 L34 F73 W74 D75 L76 I97 V99I22-K30 HydrophobicContact CG2-CB 3.66Å; I22-K30 HydrophobicContact CG2-CD 4.2Å; I22-K30 HydrophobicContact CG2-CG 3.92Å; I22-F33 HydrophobicContact CD1-CD1 4.28Å; I22-L34 HydrophobicContact CD1-CB 3.93Å; I22-L34 HydrophobicContact CD1-CD1 4.26Å; I22-L34 HydrophobicContact CD1-CG 4.46Å; I22-F73 HydrophobicContact CD1-CB 3.91Å; I22-F73 HydrophobicContact CD1-CD1 3.77Å; I22-F73 HydrophobicContact CD1-CG 4.02Å; I22-F73 HydrophobicContact CG1-CB 4.36Å; I22-F73 HydrophobicContact CG1-CD1 3.97Å; I22-W74 PolarHBondContact N-O 3.09Å; I22-D75 HydrophobicContact CB-CB 4.48Å; I22-D75 HydrophobicContact CD1-CB 4.44Å; I22-L76 PolarHBondContact O-N 3.37Å; I22-I97 CarbonylContact C-O 3.55Å; I22-I97 WeakPolarHBondContact CA-O 3.39Å; I22-I97 HydrophobicContact CG1-CB 4.47Å; I22-V99 HydrophobicContact CG2-CG2 3.93Å
23L98.7Very high94.5Very high0 Ų028.1 Ų28.10%014%0.142CC..EExtended strand (participates in β ladder)trans-124.1167.9-173.8-54.8-179.9000111L21 K30 L76 W86 Y90 V96 I97 Y98 V99 V118L21-L23 HydrophobicContact CB-CD1 4.45Å; L21-L23 HydrophobicContact CB-CD2 4.4Å; L21-L23 HydrophobicContact CB-CG 4.15Å; L23-K30 WeakPolarHBondContact O-CD 3.37Å; L23-L76 HydrophobicContact CD2-CB 4.23Å; L23-L76 HydrophobicContact CD2-CD1 3.77Å; L23-L76 HydrophobicContact CD2-CG 4.28Å; L23-W86 HydrophobicContact CB-CZ3 4.47Å; L23-W86 HydrophobicContact CD1-CE3 4.31Å; L23-W86 HydrophobicContact CD2-CB 4.29Å; L23-W86 HydrophobicContact CD2-CD2 3.89Å; L23-W86 HydrophobicContact CD2-CE3 4.43Å; L23-W86 HydrophobicContact CD2-CG 3.82Å; L23-Y90 HydrophobicContact CD1-CE1 3.91Å; L23-V96 HydrophobicContact CD1-CG1 3.98Å; L23-V96 HydrophobicContact CG-CG1 4.37Å; L23-I97 PolarHBondContact N-O 3.25Å; L23-Y98 HydrophobicContact CB-CD2 3.9Å; L23-Y98 HydrophobicContact CB-CE2 4.32Å; L23-Y98 WeakPolarHBondContact O-CA 3.31Å; L23-V99 PolarHBondContact O-N 3.37Å; L23-V118 HydrophobicContact CD1-CG1 3.96Å; L23-V118 HydrophobicContact CD1-CG2 3.77Å
24G98.4Very high95.8Very high0 Ų022.1 Ų22.10%012%0.116CC..  trans130.2166.2-175.500000111.6K30 G78G24-K30 WeakPolarHBondContact O-CE 3.2Å; G24-K30 PolarHBondContact O-NZ 3.43Å; G24-G78 VanDerWaalsContact O-CA 3.32Å; G24-G78 WeakPolarHBondContact O-CA 3.23Å
25L98.2Very high96.8Very high7 Ų718.9 Ų18.94%0.03710%0.101CC..  trans-58.9160.6-178-56.9-170.5000112.4A28 K30 Q83 R107 E110 A114L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.48Å; L25-A28 PolarHBondContact O-N 3.04Å; L25-K30 PolarHBondContact O-NZ 3.34Å; L25-Q83 VanDerWaalsContact CD2-NE2 3.27Å; L25-R107 HydrophobicContact CD1-CB 3.92Å; L25-E110 HydrophobicContact CD1-CB 4.08Å; L25-E110 HydrophobicContact CD1-CG 4.05Å; L25-E110 HydrophobicContact CD2-CG 4.14Å; L25-E110 WeakPolarHBondContact CD2-OE1 3.32Å; L25-A114 HydrophobicContact CD2-CB 4.12Å
26D96.3Very high97.3Very high37 Ų3716.5 Ų16.520%0.1989%0.091CC..THydrogen-bonded Turntrans-57.3153.6167.764.1-73.8000110.7A28 G78 Q79 R107D26-A28 PolarHBondContact O-N 2.82Å; D26-G78 PolarHBondContact N-O 3.46Å; D26-Q79 HydrophobicContact CB-CG 3.93Å; D26-R107 PolarHBondContact O-NH2 2.93Å; D26-R107 IonicContact OD1-NH1 3.28Å; D26-R107 PolarHBondContact OD1-NH1 2.81Å; D26-R107 VanDerWaalsContact OD1-NH1 3.11Å; D26-R107 IonicContact OD2-NH1 3.17Å; D26-R107 PolarHBondContact OD2-NH1 3.13Å; D26-R107 VanDerWaalsContact OD2-NH1 3.12Å
27N95.9Very high97.6Very high104 Ų10412.5 Ų12.556%0.5567%0.07SC*.THydrogen-bonded Turntrans62.6-3.8-175.1-164.950.5000116.5G29 K135N27-G29 PolarHBondContact O-N 3.08Å; N27-G29 VanDerWaalsContact O-N 3.08Å; N27-K135 PolarHBondContact ND2-NZ 3.45Å; N27-K135 WeakPolarHBondContact O-CE 3.41Å; N27-K135 PolarHBondContact O-NZ 3.1Å
28A98Very high97.7Very high2 Ų213.3 Ų13.32%0.0177%0.073CC..SBendtrans-64.3-1617800000114.4L25 D26 V99 D101 N134L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.48Å; L25-A28 PolarHBondContact O-N 3.04Å; D26-A28 PolarHBondContact O-N 2.82Å; A28-V99 HydrophobicContact CB-CB 4.36Å; A28-V99 HydrophobicContact CB-CG1 4.16Å; A28-V99 WeakPolarHBondContact CB-O 3.25Å; A28-V99 VanDerWaalsContact O-CG1 3.27Å; A28-V99 WeakPolarHBondContact O-CG1 3.43Å; A28-D101 HydrophobicContact CB-CB 4.34Å; A28-N134 PolarHBondContact O-ND2 3.1Å
29G98Very high97.5Very high12 Ų1216 Ų1612%0.1249%0.09CC..SBendtrans97.823.2176.100000115.5N27 T32 F33N27-G29 PolarHBondContact O-N 3.08Å; N27-G29 VanDerWaalsContact O-N 3.08Å; G29-T32 PolarHBondContact O-N 3.39Å; G29-F33 WeakPolarHBondContact O-CB 3.31Å; G29-F33 PolarHBondContact O-N 2.74Å
30K98.4Very high97.3Very high12 Ų1220.8 Ų20.85%0.05211%0.108CC..Hα-helixtrans-56.3-54.4177.7-59.6-172.4-59.3-75.80113.3I22 L23 G24 L25 T32 F33 L34 D75 L76 V99I22-K30 HydrophobicContact CG2-CB 3.66Å; I22-K30 HydrophobicContact CG2-CD 4.2Å; I22-K30 HydrophobicContact CG2-CG 3.92Å; L23-K30 WeakPolarHBondContact O-CD 3.37Å; G24-K30 WeakPolarHBondContact O-CE 3.2Å; G24-K30 PolarHBondContact O-NZ 3.43Å; L25-K30 PolarHBondContact O-NZ 3.34Å; K30-T32 VanDerWaalsContact C-N 3.33Å; K30-T32 PolarHBondContact O-N 3.3Å; K30-F33 WeakPolarHBondContact O-CB 3.45Å; K30-F33 PolarHBondContact O-N 2.79Å; K30-F33 VanDerWaalsContact O-N 3.14Å; K30-L34 PolarHBondContact O-N 3.41Å; K30-D75 VanDerWaalsContact CB-OD1 3.28Å; K30-D75 WeakPolarHBondContact CB-OD1 3.38Å; K30-L76 WeakPolarHBondContact CE-O 3.47Å; K30-V99 HydrophobicContact CG-CB 3.93Å; K30-V99 HydrophobicContact CG-CG2 3.87Å
31T97.7Very high97.1Very high18 Ų1822.6 Ų22.611%0.1112%0.116CC..Hα-helixtrans-64.8-38.8179.2-47.60000111.6F33 L34 E35 I53 T56 D75T31-F33 VanDerWaalsContact C-N 3.31Å; T31-F33 PolarHBondContact O-N 3.21Å; T31-L34 PolarHBondContact O-N 2.88Å; T31-E35 WeakPolarHBondContact O-CG 3.45Å; T31-E35 PolarHBondContact O-N 2.74Å; T31-I53 HydrophobicContact CG2-CD1 4.46Å; T31-I53 HydrophobicContact CG2-CG2 3.69Å; T31-T56 PolarHBondContact OG1-OG1 3.12Å; T31-D75 WeakPolarHBondContact CA-OD2 3.29Å; T31-D75 WeakPolarHBondContact CB-OD2 3.43Å; T31-D75 PolarHBondContact OG1-OD2 2.91Å
32T97.9Very high96.8Very high27 Ų2724.5 Ų24.517%0.16613%0.126CC..Hα-helixtrans-60-42.1173.2-470000111.5G29 K30 E35 Q36 L50 I53 A170G29-T32 PolarHBondContact O-N 3.39Å; K30-T32 VanDerWaalsContact C-N 3.33Å; K30-T32 PolarHBondContact O-N 3.3Å; T32-E35 PolarHBondContact O-N 2.83Å; T32-Q36 WeakPolarHBondContact O-CG 3.49Å; T32-Q36 PolarHBondContact O-N 2.77Å; T32-L50 HydrophobicContact CG2-CB 4.5Å; T32-L50 HydrophobicContact CG2-CD1 4.06Å; T32-L50 HydrophobicContact CG2-CD2 4.13Å; T32-L50 HydrophobicContact CG2-CG 4.45Å; T32-I53 HydrophobicContact CG2-CD1 4.46Å; T32-A170 HydrophobicContact CG2-CB 3.86Å; T32-A170 WeakPolarHBondContact CG2-O 3.3Å
33F98.6Very high96Very high1 Ų134.3 Ų34.30%0.00417%0.169CC..Hα-helixtrans-63.6-42.1175.2176.5-91.2000111.9I22 G29 K30 T31 Q36 S37 I97 L132 A170 V176 I180I22-F33 HydrophobicContact CD1-CD1 4.28Å; G29-F33 WeakPolarHBondContact O-CB 3.31Å; G29-F33 PolarHBondContact O-N 2.74Å; K30-F33 WeakPolarHBondContact O-CB 3.45Å; K30-F33 PolarHBondContact O-N 2.79Å; K30-F33 VanDerWaalsContact O-N 3.14Å; T31-F33 VanDerWaalsContact C-N 3.31Å; T31-F33 PolarHBondContact O-N 3.21Å; F33-Q36 PolarHBondContact O-N 3.39Å; F33-S37 WeakPolarHBondContact O-CB 3.49Å; F33-S37 PolarHBondContact O-N 3.07Å; F33-S37 PolarHBondContact O-OG 2.95Å; F33-I97 HydrophobicContact CE1-CD1 3.65Å; F33-I97 HydrophobicContact CE1-CG2 4.34Å; F33-I97 HydrophobicContact CZ-CD1 4.14Å; F33-L132 HydrophobicContact CD1-CD1 4.32Å; F33-L132 HydrophobicContact CD2-CD1 3.47Å; F33-L132 VanDerWaalsContact CD2-CD1 3.47Å; F33-L132 HydrophobicContact CE1-CD1 4.17Å; F33-L132 HydrophobicContact CE2-CD1 3.25Å; F33-L132 HydrophobicContact CG-CD1 4.01Å; F33-L132 HydrophobicContact CZ-CD1 3.65Å; F33-A170 HydrophobicContact CB-CB 4.06Å; F33-V176 HydrophobicContact CD2-CG1 4.39Å; F33-V176 HydrophobicContact CD2-CG2 3.86Å; F33-V176 HydrophobicContact CE2-CB 4.12Å; F33-V176 HydrophobicContact CE2-CG1 3.95Å; F33-V176 HydrophobicContact CE2-CG2 3.89Å; F33-V176 HydrophobicContact CZ-CG1 4.33Å; F33-I180 HydrophobicContact CE1-CD1 3.82Å; F33-I180 HydrophobicContact CZ-CD1 3.7Å; F33-I180 HydrophobicContact CZ-CG1 4.09Å
34L97.9Very high95.4Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-62.7-46.2175.5179.154.1000111.9I22 K30 T31 Q36 S37 K38 F73 D75I22-L34 HydrophobicContact CD1-CB 3.93Å; I22-L34 HydrophobicContact CD1-CD1 4.26Å; I22-L34 HydrophobicContact CD1-CG 4.46Å; K30-L34 PolarHBondContact O-N 3.41Å; T31-L34 PolarHBondContact O-N 2.88Å; L34-Q36 VanDerWaalsContact C-N 3.35Å; L34-Q36 PolarHBondContact O-N 2.91Å; L34-S37 WeakPolarHBondContact O-CB 3.42Å; L34-S37 PolarHBondContact O-N 3.33Å; L34-K38 HydrophobicContact CD1-CG 4.45Å; L34-K38 WeakPolarHBondContact O-CG 3.41Å; L34-K38 PolarHBondContact O-N 3.24Å; L34-F73 HydrophobicContact CD1-CB 3.54Å; L34-F73 HydrophobicContact CD1-CD2 3.37Å; L34-F73 HydrophobicContact CD1-CE2 4.19Å; L34-F73 HydrophobicContact CD1-CG 3.61Å; L34-F73 HydrophobicContact CD2-CB 4.33Å; L34-D75 HydrophobicContact CD2-CB 3.71Å
35E96.8Very high95Very high8 Ų845.8 Ų45.84%0.03723%0.225CC..Hα-helixtrans-60.7-42176.2-71.6-50.7138.800112.5T31 T32 S37 K38 T39 Y45 M48 L50 I53T31-E35 WeakPolarHBondContact O-CG 3.45Å; T31-E35 PolarHBondContact O-N 2.74Å; T32-E35 PolarHBondContact O-N 2.83Å; E35-S37 VanDerWaalsContact C-N 3.35Å; E35-K38 VanDerWaalsContact CD-CE 3.46Å; E35-K38 PolarHBondContact O-N 3.45Å; E35-K38 VanDerWaalsContact OE1-CE 3.28Å; E35-K38 WeakPolarHBondContact OE1-CE 3.35Å; E35-K38 IonicContact OE1-NZ 3.39Å; E35-K38 PolarHBondContact OE1-NZ 3.4Å; E35-K38 VanDerWaalsContact OE2-CE 3.23Å; E35-K38 WeakPolarHBondContact OE2-CE 3.44Å; E35-K38 IonicContact OE2-NZ 3.18Å; E35-K38 PolarHBondContact OE2-NZ 3.21Å; E35-K38 VanDerWaalsContact OE2-NZ 3.14Å; E35-T39 WeakPolarHBondContact O-CB 3.28Å; E35-T39 PolarHBondContact O-N 2.96Å; E35-T39 PolarHBondContact O-OG1 3.42Å; E35-Y45 PolarHBondContact OE2-OH 3.1Å; E35-M48 HydrophobicContact CG-CG 4.11Å; E35-M48 HydrophobicContact CG-SD 4.38Å; E35-L50 HydrophobicContact CB-CD2 3.89Å; E35-I53 HydrophobicContact CB-CD1 4.25Å; E35-I53 HydrophobicContact CG-CD1 3.74Å; E35-I53 HydrophobicContact CG-CG1 4.48Å
36Q96Very high94.4Very high23 Ų2354.8 Ų54.811%0.10726%0.264CS..Hα-helixtrans-64.6-38.7174.4-79.6-63.5-1.700113.1T32 F33 L34 T39 R40 A170 L171 V176T32-Q36 WeakPolarHBondContact O-CG 3.49Å; T32-Q36 PolarHBondContact O-N 2.77Å; F33-Q36 PolarHBondContact O-N 3.39Å; L34-Q36 VanDerWaalsContact C-N 3.35Å; L34-Q36 PolarHBondContact O-N 2.91Å; Q36-T39 PolarHBondContact O-N 3.18Å; Q36-R40 WeakPolarHBondContact O-CB 3.09Å; Q36-R40 PolarHBondContact O-N 3.14Å; Q36-A170 WeakPolarHBondContact CG-O 3.5Å; Q36-A170 PolarHBondContact NE2-O 2.92Å; Q36-L171 PolarHBondContact NE2-O 3.44Å; Q36-V176 HydrophobicContact CB-CG1 4.26Å; Q36-V176 HydrophobicContact CB-CG2 4.12Å
37S97.5Very high93.6Very high0 Ų054.7 Ų54.70%027%0.271CS..Hα-helixtrans-62.6-47.4177.1-61.60000110F33 L34 E35 T39 R40 F41 V176F33-S37 WeakPolarHBondContact O-CB 3.49Å; F33-S37 PolarHBondContact O-N 3.07Å; F33-S37 PolarHBondContact O-OG 2.95Å; L34-S37 WeakPolarHBondContact O-CB 3.42Å; L34-S37 PolarHBondContact O-N 3.33Å; E35-S37 VanDerWaalsContact C-N 3.35Å; S37-T39 PolarHBondContact O-N 3.06Å; S37-R40 PolarHBondContact O-N 3.43Å; S37-F41 VanDerWaalsContact O-CD2 3.32Å; S37-F41 WeakPolarHBondContact O-CD2 3.44Å; S37-F41 PolarHBondContact O-N 3.3Å; S37-V176 WeakPolarHBondContact OG-CG1 3.41Å
38K96.2Very high93.2Very high18 Ų1853.9 Ų53.98%0.07827%0.265CS..Hα-helixtrans-59.3-47.3175.2-69.2-176.7-68.4176.50112L34 E35 R40 N42 Y45 V64L34-K38 HydrophobicContact CD1-CG 4.45Å; L34-K38 WeakPolarHBondContact O-CG 3.41Å; L34-K38 PolarHBondContact O-N 3.24Å; E35-K38 VanDerWaalsContact CD-CE 3.46Å; E35-K38 PolarHBondContact O-N 3.45Å; E35-K38 VanDerWaalsContact OE1-CE 3.28Å; E35-K38 WeakPolarHBondContact OE1-CE 3.35Å; E35-K38 IonicContact OE1-NZ 3.39Å; E35-K38 PolarHBondContact OE1-NZ 3.4Å; E35-K38 VanDerWaalsContact OE2-CE 3.23Å; E35-K38 WeakPolarHBondContact OE2-CE 3.44Å; E35-K38 IonicContact OE2-NZ 3.18Å; E35-K38 PolarHBondContact OE2-NZ 3.21Å; E35-K38 VanDerWaalsContact OE2-NZ 3.14Å; K38-R40 VanDerWaalsContact C-N 3.31Å; K38-R40 PolarHBondContact O-N 3.38Å; K38-N42 VanDerWaalsContact O-CB 3.25Å; K38-N42 WeakPolarHBondContact O-CB 3.48Å; K38-N42 PolarHBondContact O-N 3.18Å; K38-Y45 HydrophobicContact CB-CD1 3.46Å; K38-Y45 VanDerWaalsContact CB-CD1 3.46Å; K38-Y45 HydrophobicContact CB-CE1 3.43Å; K38-Y45 VanDerWaalsContact CB-CE1 3.43Å; K38-Y45 HydrophobicContact CB-CG 4.11Å; K38-Y45 HydrophobicContact CD-CE1 4.05Å; K38-Y45 HydrophobicContact CD-CE2 4.37Å; K38-Y45 WeakPolarHBondContact CE-OH 3.33Å; K38-Y45 HydrophobicContact CG-CE1 4.37Å; K38-Y45 PolarHBondContact NZ-OH 2.92Å; K38-V64 HydrophobicContact CG-CG1 4.11Å
39T94.1Very high92.6Very high64 Ų6456.8 Ų56.839%0.39329%0.286SS..Hα-helixtrans-59.8-38.9179.1-57.60000112.6E35 Q36 S37E35-T39 WeakPolarHBondContact O-CB 3.28Å; E35-T39 PolarHBondContact O-N 2.96Å; E35-T39 PolarHBondContact O-OG1 3.42Å; Q36-T39 PolarHBondContact O-N 3.18Å; S37-T39 PolarHBondContact O-N 3.06Å
40R92.9Very high92.2Very high103 Ų10358.3 Ų58.339%0.38929%0.29SS..Hα-helixtrans-77.6-39.6-178.7-79.7-172.4172.667.88.3114.4Q36 S37 K38 T172 G173Q36-R40 WeakPolarHBondContact O-CB 3.09Å; Q36-R40 PolarHBondContact O-N 3.14Å; S37-R40 PolarHBondContact O-N 3.43Å; K38-R40 VanDerWaalsContact C-N 3.31Å; K38-R40 PolarHBondContact O-N 3.38Å; R40-T172 PolarHBondContact NH2-O 2.92Å; R40-G173 VanDerWaalsContact CZ-CA 3.42Å; R40-G173 PolarHBondContact NE-O 3.03Å; R40-G173 PolarHBondContact NH2-O 3.35Å; R40-G173 VanDerWaalsContact NH2-O 3.12Å
41F94.4Very high91.7Very high39 Ų3962.9 Ų62.917%0.17132%0.324CS..Hα-helixtrans-96.7-23.9-170.9-72.3-79.1000113.2S37 V64 V66 R177 I180S37-F41 VanDerWaalsContact O-CD2 3.32Å; S37-F41 WeakPolarHBondContact O-CD2 3.44Å; S37-F41 PolarHBondContact O-N 3.3Å; F41-V64 HydrophobicContact CB-CB 3.86Å; F41-V64 HydrophobicContact CB-CG1 4.21Å; F41-V64 HydrophobicContact CG-CB 4.48Å; F41-V66 HydrophobicContact CD1-CG1 4.42Å; F41-V66 HydrophobicContact CD1-CG2 3.76Å; F41-V66 HydrophobicContact CE1-CG1 3.99Å; F41-V66 HydrophobicContact CE1-CG2 3.86Å; F41-V66 HydrophobicContact CG-CG2 4.23Å; F41-V66 HydrophobicContact CZ-CG2 4.41Å; F41-R177 HydrophobicContact CE1-CG 4.33Å; F41-R177 HydrophobicContact CZ-CB 4.25Å; F41-R177 HydrophobicContact CZ-CG 3.76Å; F41-I180 HydrophobicContact CD2-CG2 4.27Å; F41-I180 HydrophobicContact CE1-CG2 4.34Å; F41-I180 HydrophobicContact CE2-CB 3.69Å; F41-I180 HydrophobicContact CE2-CG1 3.95Å; F41-I180 HydrophobicContact CE2-CG2 3.6Å; F41-I180 HydrophobicContact CZ-CB 3.84Å; F41-I180 HydrophobicContact CZ-CG2 3.62Å
42N92.2Very high91.3Very high40 Ų4069.3 Ų69.321%0.21435%0.35CS..  trans-102.699.2179.3-59.2-25.3000110.3K38 N44 Y45 T63K38-N42 VanDerWaalsContact O-CB 3.25Å; K38-N42 WeakPolarHBondContact O-CB 3.48Å; K38-N42 PolarHBondContact O-N 3.18Å; N42-N44 PolarHBondContact O-N 2.96Å; N42-Y45 WeakPolarHBondContact O-CB 3.29Å; N42-Y45 PolarHBondContact O-N 2.85Å; N42-T63 PolarHBondContact ND2-O 2.93Å
43K82.6Confident91Very high206 Ų20669.8 Ų69.890%0.89635%0.352SS*.THydrogen-bonded Turntrans-49.4-29.4-173.1-65.4-176.4179.1-178.60116
44N85.7Confident90.6Very high159 Ų15975.1 Ų75.185%0.8539%0.385SS*.THydrogen-bonded Turntrans-109.77.5-177.3-63.1-24.8000113.3N42 K46N42-N44 PolarHBondContact O-N 2.96Å; N44-K46 PolarHBondContact O-N 2.83Å
45Y90Very high90.1Very high81 Ų8178.9 Ų78.932%0.31841%0.408SS..  trans-78.3112.5-179.6-174.6-108.8000110.4E35 K38 N42 G47E35-Y45 PolarHBondContact OE2-OH 3.1Å; K38-Y45 HydrophobicContact CB-CD1 3.46Å; K38-Y45 VanDerWaalsContact CB-CD1 3.46Å; K38-Y45 HydrophobicContact CB-CE1 3.43Å; K38-Y45 VanDerWaalsContact CB-CE1 3.43Å; K38-Y45 HydrophobicContact CB-CG 4.11Å; K38-Y45 HydrophobicContact CD-CE1 4.05Å; K38-Y45 HydrophobicContact CD-CE2 4.37Å; K38-Y45 WeakPolarHBondContact CE-OH 3.33Å; K38-Y45 HydrophobicContact CG-CE1 4.37Å; K38-Y45 PolarHBondContact NZ-OH 2.92Å; N42-Y45 WeakPolarHBondContact O-CB 3.29Å; N42-Y45 PolarHBondContact O-N 2.85Å; Y45-G47 PolarHBondContact O-N 3.17Å
46K84.5Confident89.8Confident197 Ų19779.8 Ų79.886%0.85741%0.414SS*.  trans-80.998.9168.5-65.5-175-179.4-178.40107.8N44N44-K46 PolarHBondContact O-N 2.83Å
47G81.3Confident89.3Confident35 Ų3584.5 Ų84.536%0.36144%0.444SS..PPolyproline II helixtrans-57.7149.8176.300000111.9Y45Y45-G47 PolarHBondContact O-N 3.17Å
48M85.9Confident88.8Confident86 Ų8685.7 Ų85.742%0.42446%0.456SS..PPolyproline II helixtrans-72.5157.2168.370.3-176.4-65.100110.4E35 L50 K52 I53E35-M48 HydrophobicContact CG-CG 4.11Å; E35-M48 HydrophobicContact CG-SD 4.38Å; M48-L50 PolarHBondContact O-N 3.28Å; M48-K52 HydrophobicContact CE-CB 3.93Å; M48-I53 HydrophobicContact CE-CG1 4.34Å; M48-I53 HydrophobicContact CG-CG1 4.45Å; M48-I53 HydrophobicContact SD-CG1 4.14Å
49S86.7Confident88.6Confident64 Ų6487.7 Ų87.745%0.44847%0.467SS..PPolyproline II helixtrans-60123.7171.5-172.10000109.4S51 K52S49-S51 PolarHBondContact O-N 2.88Å; S49-S51 VanDerWaalsContact O-N 3.16Å; S49-S51 PolarHBondContact OG-OG 3.31Å; S49-K52 WeakPolarHBondContact O-CB 3.32Å; S49-K52 PolarHBondContact O-N 3.48Å
50L89.5Confident88.6Confident43 Ų4386.9 Ų86.923%0.22546%0.461CS..G310 helixtrans-60.3-28.1-179.4-57.3-178.6000111.9T32 E35 M48 K52 I53 L171T32-L50 HydrophobicContact CG2-CB 4.5Å; T32-L50 HydrophobicContact CG2-CD1 4.06Å; T32-L50 HydrophobicContact CG2-CD2 4.13Å; T32-L50 HydrophobicContact CG2-CG 4.45Å; E35-L50 HydrophobicContact CB-CD2 3.89Å; M48-L50 PolarHBondContact O-N 3.28Å; L50-K52 PolarHBondContact O-N 3.45Å; L50-I53 HydrophobicContact CB-CD1 4.41Å; L50-I53 HydrophobicContact CD2-CD1 3.81Å; L50-I53 WeakPolarHBondContact O-CB 3.37Å; L50-I53 PolarHBondContact O-N 2.86Å; L50-L171 HydrophobicContact CD1-CD1 4.17Å
51S86.8Confident88.7Confident109 Ų10986.3 Ų86.376%0.76246%0.464SS*.G310 helixtrans-65.8-13.3173.959.80000114.8S49S49-S51 PolarHBondContact O-N 2.88Å; S49-S51 VanDerWaalsContact O-N 3.16Å; S49-S51 PolarHBondContact OG-OG 3.31Å
52K89.9Confident88.7Confident152 Ų15284.7 Ų84.766%0.66146%0.459SS*.G310 helixtrans-96.8-1.7177-64.6-176.8179-174.60112.9M48 S49 L50 T54M48-K52 HydrophobicContact CE-CB 3.93Å; S49-K52 WeakPolarHBondContact O-CB 3.32Å; S49-K52 PolarHBondContact O-N 3.48Å; L50-K52 PolarHBondContact O-N 3.45Å; K52-T54 PolarHBondContact O-N 2.98Å
53I91.2Very high88.9Confident37 Ų3785.8 Ų85.819%0.1947%0.467CS..  trans-72.1122177.6-64.6175.1000108.3T31 T32 E35 M48 L50T31-I53 HydrophobicContact CG2-CD1 4.46Å; T31-I53 HydrophobicContact CG2-CG2 3.69Å; T32-I53 HydrophobicContact CG2-CD1 4.46Å; E35-I53 HydrophobicContact CB-CD1 4.25Å; E35-I53 HydrophobicContact CG-CD1 3.74Å; E35-I53 HydrophobicContact CG-CG1 4.48Å; M48-I53 HydrophobicContact CE-CG1 4.34Å; M48-I53 HydrophobicContact CG-CG1 4.45Å; M48-I53 HydrophobicContact SD-CG1 4.14Å; L50-I53 HydrophobicContact CB-CD1 4.41Å; L50-I53 HydrophobicContact CD2-CD1 3.81Å; L50-I53 WeakPolarHBondContact O-CB 3.37Å; L50-I53 PolarHBondContact O-N 2.86Å
54T90.6Very high89.5Confident114 Ų11476 Ų7670%0.69942%0.424SS*.  trans-108-179.7174.558.70000110.3K52 T56K52-T54 PolarHBondContact O-N 2.98Å; T54-T56 PolarHBondContact O-N 2.62Å
55T88.4Confident89.9Confident79 Ų7970.5 Ų70.549%0.48540%0.395SS..  trans-59133.1173.847.90000111.4
56T89Confident90.1Very high26 Ų2667.7 Ų67.716%0.1639%0.386CS..  trans-77.5123.9177.1-57.50000110.2T31 T54 N60 G77T31-T56 PolarHBondContact OG1-OG1 3.12Å; T54-T56 PolarHBondContact O-N 2.62Å; T56-N60 HydrophobicContact CG2-CB 4.02Å; T56-G77 VanDerWaalsContact O-CA 3.31Å; T56-G77 WeakPolarHBondContact O-CA 3.33Å
57V85.4Confident90.4Very high123 Ų12361.4 Ų61.475%0.74538%0.377SS*.  trans-96.4116170.7-178.30000108.1L59V57-L59 PolarHBondContact O-N 2.86Å
58G87.3Confident90.7Very high25 Ų2568.6 Ų68.626%0.25840%0.398SS..SBendtrans77.2-114.2-179.800000113.4G77G58-G77 PolarHBondContact O-N 2.82Å; G58-G77 VanDerWaalsContact O-N 3.09Å
59L92.1Very high91.1Very high60 Ų6064.8 Ų64.831%0.31438%0.381SS..EExtended strand (participates in β ladder)trans-129.5127.6-170.9170.467.4000111.1V57 I61 W74 L76 Y89V57-L59 PolarHBondContact O-N 2.86Å; L59-I61 HydrophobicContact CD1-CG1 4.21Å; L59-I61 HydrophobicContact CD2-CD1 3.95Å; L59-I61 HydrophobicContact CD2-CG1 3.99Å; L59-I61 HydrophobicContact CG-CD1 4.41Å; L59-I61 HydrophobicContact CG-CG1 3.9Å; L59-W74 HydrophobicContact CD1-CB 3.56Å; L59-W74 HydrophobicContact CD1-CG 3.96Å; L59-L76 HydrophobicContact CB-CD2 3.97Å; L59-L76 HydrophobicContact CD1-CD2 3.52Å; L59-L76 HydrophobicContact CG-CD2 4.32Å; L59-Y89 HydrophobicContact CD2-CE1 3.84Å
60N94.3Very high91.5Very high47 Ų4765.1 Ų65.125%0.25137%0.372SS..EExtended strand (participates in β ladder)trans-109.5136167176.132000109.6T56 D75T56-N60 HydrophobicContact CG2-CB 4.02Å; N60-D75 HydrophobicContact CB-CB 4.07Å; N60-D75 PolarHBondContact N-O 3.07Å; N60-D75 PolarHBondContact ND2-OD2 2.93Å; N60-D75 PolarHBondContact O-N 3.43Å
61I95.1Very high91.9Very high91 Ų9163 Ų6347%0.46736%0.361SS..EExtended strand (participates in β ladder)trans-115.4130.7-177.1-55.8-179000109.7L59 M72 F73L59-I61 HydrophobicContact CD1-CG1 4.21Å; L59-I61 HydrophobicContact CD2-CD1 3.95Å; L59-I61 HydrophobicContact CD2-CG1 3.99Å; L59-I61 HydrophobicContact CG-CD1 4.41Å; L59-I61 HydrophobicContact CG-CG1 3.9Å; I61-M72 HydrophobicContact CG2-CG 4.03Å; I61-M72 HydrophobicContact CG2-SD 4.45Å; I61-F73 WeakPolarHBondContact CA-O 3.45Å
62G95.2Very high92.5Very high5 Ų558.6 Ų58.65%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-137.1149.5172.700000111.4F73G62-F73 PolarHBondContact N-O 2.9Å; G62-F73 VanDerWaalsContact N-O 3.16Å; G62-F73 PolarHBondContact O-N 3.3Å
63T95.3Very high92.9Very high62 Ų6251.4 Ų51.438%0.3830%0.297SS..EExtended strand (participates in β ladder)trans-122.814317854.50000111N42 L71 M72N42-T63 PolarHBondContact ND2-O 2.93Å; T63-L71 VanDerWaalsContact CA-O 3.28Å; T63-L71 WeakPolarHBondContact CA-O 3.33Å; T63-M72 HydrophobicContact CG2-CB 4.25Å; T63-M72 HydrophobicContact CG2-CG 4.18Å
64V96.3Very high93.2Very high0 Ų050.3 Ų50.30%029%0.291CS..EExtended strand (participates in β ladder)trans-135.5143.5170.6-57.70000110.1K38 F41 V66 R70 L71 F73K38-V64 HydrophobicContact CG-CG1 4.11Å; F41-V64 HydrophobicContact CB-CB 3.86Å; F41-V64 HydrophobicContact CB-CG1 4.21Å; F41-V64 HydrophobicContact CG-CB 4.48Å; V64-V66 HydrophobicContact CG2-CG2 4.08Å; V64-R70 WeakPolarHBondContact O-CA 3.19Å; V64-L71 HydrophobicContact CG2-CB 3.94Å; V64-L71 HydrophobicContact CG2-CD1 4.43Å; V64-L71 HydrophobicContact CG2-CG 4.39Å; V64-L71 PolarHBondContact N-O 2.77Å; V64-L71 PolarHBondContact O-N 3.25Å; V64-F73 HydrophobicContact CB-CE2 4.22Å; V64-F73 HydrophobicContact CG1-CE2 3.9Å; V64-F73 HydrophobicContact CG2-CD2 4.48Å; V64-F73 HydrophobicContact CG2-CE2 3.4Å; V64-F73 HydrophobicContact CG2-CZ 3.89Å
65D94.1Very high93.5Very high45 Ų4544.9 Ų44.924%0.24126%0.258CS..EExtended strand (participates in β ladder)trans-102.8121.4175-77.6-8.6000109.9K15 R70K15-D65 HydrophobicContact CD-CB 4.44Å; K15-D65 IonicContact NZ-OD2 2.74Å; K15-D65 PolarHBondContact NZ-OD2 3.08Å; D65-R70 WeakPolarHBondContact OD1-CB 3.32Å; D65-R70 WeakPolarHBondContact OD1-CG 3.24Å; D65-R70 IonicContact OD1-CZ 3.52Å; D65-R70 IonicContact OD1-NE 2.77Å; D65-R70 PolarHBondContact OD1-NE 3.12Å; D65-R70 IonicContact OD1-NH2 3.39Å; D65-R70 PolarHBondContact OD1-NH2 3.32Å; D65-R70 IonicContact OD2-NH2 3.21Å; D65-R70 PolarHBondContact OD2-NH2 2.89Å
66V94.3Very high93.9Very high22 Ų2241.3 Ų41.313%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-122.696.6179.1-169.10000108.8F41 V64 K68 A69 I180 V184F41-V66 HydrophobicContact CD1-CG1 4.42Å; F41-V66 HydrophobicContact CD1-CG2 3.76Å; F41-V66 HydrophobicContact CE1-CG1 3.99Å; F41-V66 HydrophobicContact CE1-CG2 3.86Å; F41-V66 HydrophobicContact CG-CG2 4.23Å; F41-V66 HydrophobicContact CZ-CG2 4.41Å; V64-V66 HydrophobicContact CG2-CG2 4.08Å; V66-K68 PolarHBondContact O-N 3.3Å; V66-A69 PolarHBondContact N-O 3.48Å; V66-A69 PolarHBondContact O-N 2.95Å; V66-A69 VanDerWaalsContact O-N 3.12Å; V66-I180 HydrophobicContact CG2-CG2 3.72Å; V66-V184 HydrophobicContact CB-CG2 3.8Å; V66-V184 HydrophobicContact CG1-CG2 3.97Å; V66-V184 HydrophobicContact CG2-CG2 4.01Å
67G90.2Very high94.2Very high65 Ų6540.2 Ų40.267%0.6723%0.229SC*.THydrogen-bonded Turntrans61.1-119.2-171.700000111.4
68K88.3Confident94.6Very high185 Ų18534.5 Ų34.580%0.80420%0.195SC*.THydrogen-bonded Turntrans-89.6-10.4178.6-65.6-174179.8-176.40113.9K15 D16 V66K15-K68 VanDerWaalsContact CB-O 3.32Å; K15-K68 WeakPolarHBondContact CB-O 3.25Å; D16-K68 PolarHBondContact N-O 2.95Å; V66-K68 PolarHBondContact O-N 3.3Å
69A94.1Very high94.9Very high6 Ų636.5 Ų36.55%0.0520%0.198CC..EExtended strand (participates in β ladder)trans-95.5140.8178.700000110.5D16 Y18 V66 V184 V188D16-A69 CarbonylContact O-C 3.59Å; D16-A69 WeakPolarHBondContact O-CA 3.32Å; Y18-A69 HydrophobicContact CD2-CB 4.22Å; Y18-A69 HydrophobicContact CE2-CB 4.1Å; V66-A69 PolarHBondContact N-O 3.48Å; V66-A69 PolarHBondContact O-N 2.95Å; V66-A69 VanDerWaalsContact O-N 3.12Å; A69-V184 HydrophobicContact CB-CG1 3.9Å; A69-V188 HydrophobicContact CB-CG2 4.26Å
70R95.3Very high94.9Very high71 Ų7140.5 Ų40.527%0.26822%0.215SC..EExtended strand (participates in β ladder)trans-108.3123.5167.3174169.8-69.7169.21.4108.4K15 D16 E17 Y18 V64 D65K15-R70 HydrophobicContact CB-CB 4.21Å; D16-R70 PolarHBondContact O-N 3.2Å; E17-R70 CarbonylContact C-O 3.6Å; E17-R70 WeakPolarHBondContact CA-O 3.19Å; E17-R70 HydrophobicContact CB-CB 4.5Å; E17-R70 HydrophobicContact CG-CG 4.35Å; E17-R70 WeakPolarHBondContact OE2-CD 3.27Å; Y18-R70 PolarHBondContact N-O 3.31Å; V64-R70 WeakPolarHBondContact O-CA 3.19Å; D65-R70 WeakPolarHBondContact OD1-CB 3.32Å; D65-R70 WeakPolarHBondContact OD1-CG 3.24Å; D65-R70 IonicContact OD1-CZ 3.52Å; D65-R70 IonicContact OD1-NE 2.77Å; D65-R70 PolarHBondContact OD1-NE 3.12Å; D65-R70 IonicContact OD1-NH2 3.39Å; D65-R70 PolarHBondContact OD1-NH2 3.32Å; D65-R70 IonicContact OD2-NH2 3.21Å; D65-R70 PolarHBondContact OD2-NH2 2.89Å
71L97.9Very high94.8Very high0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-96.8126.2170.6-54.2-174.1000109.1Y18 I20 T63 V64 F73 I180 V184 V187Y18-L71 HydrophobicContact CD2-CD2 4.43Å; Y18-L71 CarbonylContact O-C 3.55Å; Y18-L71 WeakPolarHBondContact O-CA 3.29Å; I20-L71 HydrophobicContact CD1-CD2 4.23Å; I20-L71 HydrophobicContact CG1-CB 4.08Å; I20-L71 HydrophobicContact CG1-CD1 4.2Å; I20-L71 HydrophobicContact CG1-CD2 4.04Å; I20-L71 HydrophobicContact CG1-CG 4.33Å; T63-L71 VanDerWaalsContact CA-O 3.28Å; T63-L71 WeakPolarHBondContact CA-O 3.33Å; V64-L71 HydrophobicContact CG2-CB 3.94Å; V64-L71 HydrophobicContact CG2-CD1 4.43Å; V64-L71 HydrophobicContact CG2-CG 4.39Å; V64-L71 PolarHBondContact N-O 2.77Å; V64-L71 PolarHBondContact O-N 3.25Å; L71-F73 HydrophobicContact CB-CE1 4.43Å; L71-F73 HydrophobicContact CB-CE2 4.07Å; L71-F73 HydrophobicContact CB-CZ 3.9Å; L71-F73 HydrophobicContact CD1-CE1 4.27Å; L71-F73 HydrophobicContact CD1-CZ 3.82Å; L71-I180 HydrophobicContact CD1-CG2 3.97Å; L71-V184 HydrophobicContact CD1-CG2 3.74Å; L71-V184 HydrophobicContact CD2-CG2 4.09Å; L71-V184 HydrophobicContact CG-CG2 4.03Å; L71-V187 HydrophobicContact CD2-CG2 4.24Å
72M97.4Very high94.7Very high16 Ų1642.1 Ų42.18%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-103.1106.9169.8-179178.360.200108.2E17 Y18 C19 I20 I61 T63 W74E17-M72 HydrophobicContact CG-CB 4.38Å; Y18-M72 PolarHBondContact O-N 3.12Å; C19-M72 CarbonylContact C-O 3.59Å; C19-M72 WeakPolarHBondContact CA-O 3.26Å; C19-M72 HydrophobicContact CB-CE 4.19Å; C19-M72 WeakPolarHBondContact SG-CE 3.32Å; I20-M72 PolarHBondContact N-O 2.71Å; I61-M72 HydrophobicContact CG2-CG 4.03Å; I61-M72 HydrophobicContact CG2-SD 4.45Å; T63-M72 HydrophobicContact CG2-CB 4.25Å; T63-M72 HydrophobicContact CG2-CG 4.18Å; M72-W74 HydrophobicContact CE-CZ2 3.55Å
73F98.5Very high94.6Very high0 Ų043.1 Ų43.10%022%0.223CC..EExtended strand (participates in β ladder)trans-83.7138.7178-59.6-79.6000111.5I20 I22 L34 I61 G62 V64 L71 I97 I180I20-F73 HydrophobicContact CB-CD1 3.65Å; I20-F73 HydrophobicContact CB-CE1 3.88Å; I20-F73 HydrophobicContact CG1-CD1 4.4Å; I20-F73 HydrophobicContact CG1-CE1 4.22Å; I20-F73 HydrophobicContact CG2-CD1 3.79Å; I20-F73 HydrophobicContact CG2-CE1 3.82Å; I20-F73 CarbonylContact O-C 3.59Å; I20-F73 VanDerWaalsContact O-CA 3.25Å; I20-F73 WeakPolarHBondContact O-CA 3.44Å; I22-F73 HydrophobicContact CD1-CB 3.91Å; I22-F73 HydrophobicContact CD1-CD1 3.77Å; I22-F73 HydrophobicContact CD1-CG 4.02Å; I22-F73 HydrophobicContact CG1-CB 4.36Å; I22-F73 HydrophobicContact CG1-CD1 3.97Å; L34-F73 HydrophobicContact CD1-CB 3.54Å; L34-F73 HydrophobicContact CD1-CD2 3.37Å; L34-F73 HydrophobicContact CD1-CE2 4.19Å; L34-F73 HydrophobicContact CD1-CG 3.61Å; L34-F73 HydrophobicContact CD2-CB 4.33Å; I61-F73 WeakPolarHBondContact CA-O 3.45Å; G62-F73 PolarHBondContact N-O 2.9Å; G62-F73 VanDerWaalsContact N-O 3.16Å; G62-F73 PolarHBondContact O-N 3.3Å; V64-F73 HydrophobicContact CB-CE2 4.22Å; V64-F73 HydrophobicContact CG1-CE2 3.9Å; V64-F73 HydrophobicContact CG2-CD2 4.48Å; V64-F73 HydrophobicContact CG2-CE2 3.4Å; V64-F73 HydrophobicContact CG2-CZ 3.89Å; L71-F73 HydrophobicContact CB-CE1 4.43Å; L71-F73 HydrophobicContact CB-CE2 4.07Å; L71-F73 HydrophobicContact CB-CZ 3.9Å; L71-F73 HydrophobicContact CD1-CE1 4.27Å; L71-F73 HydrophobicContact CD1-CZ 3.82Å; F73-I97 HydrophobicContact CD1-CD1 4.46Å; F73-I97 HydrophobicContact CE1-CD1 3.89Å; F73-I180 HydrophobicContact CE1-CD1 3.79Å; F73-I180 HydrophobicContact CZ-CD1 3.48Å; F73-I180 VanDerWaalsContact CZ-CD1 3.48Å; F73-I180 HydrophobicContact CZ-CG1 4.48Å
74W97.9Very high94.5Very high15 Ų1544 Ų446%0.05723%0.232CC..EExtended strand (participates in β ladder)trans-115.698169.2-67.4-17.7000107.8C19 I20 L21 I22 L59 M72 Y89 E92C19-W74 HydrophobicContact CB-CE3 4.41Å; C19-W74 HydrophobicContact CB-CH2 3.98Å; C19-W74 HydrophobicContact CB-CZ2 4.11Å; C19-W74 HydrophobicContact CB-CZ3 4.13Å; I20-W74 PolarHBondContact O-N 3.31Å; L21-W74 HydrophobicContact CD2-CB 3.88Å; L21-W74 HydrophobicContact CD2-CE3 3.78Å; L21-W74 HydrophobicContact CG-CE3 4.48Å; I22-W74 PolarHBondContact N-O 3.09Å; L59-W74 HydrophobicContact CD1-CB 3.56Å; L59-W74 HydrophobicContact CD1-CG 3.96Å; M72-W74 HydrophobicContact CE-CZ2 3.55Å; W74-Y89 HydrophobicContact CD2-CD1 4.32Å; W74-Y89 AromaticContact CE3-CD1 3.84Å; W74-Y89 HydrophobicContact CE3-CD1 3.84Å; W74-Y89 HydrophobicContact CE3-CG 4.3Å; W74-Y89 HydrophobicContact CZ3-CD1 4.07Å; W74-E92 HydrophobicContact CH2-CB 3.62Å; W74-E92 VanDerWaalsContact CH2-OE2 3.29Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.31Å; W74-E92 HydrophobicContact CZ3-CB 3.82Å
75D97.6Very high94.4Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-88111.4177.2170.939.4000109I22 K30 T31 L34 N60I22-D75 HydrophobicContact CB-CB 4.48Å; I22-D75 HydrophobicContact CD1-CB 4.44Å; K30-D75 VanDerWaalsContact CB-OD1 3.28Å; K30-D75 WeakPolarHBondContact CB-OD1 3.38Å; T31-D75 WeakPolarHBondContact CA-OD2 3.29Å; T31-D75 WeakPolarHBondContact CB-OD2 3.43Å; T31-D75 PolarHBondContact OG1-OD2 2.91Å; L34-D75 HydrophobicContact CD2-CB 3.71Å; N60-D75 HydrophobicContact CB-CB 4.07Å; N60-D75 PolarHBondContact N-O 3.07Å; N60-D75 PolarHBondContact ND2-OD2 2.93Å; N60-D75 PolarHBondContact O-N 3.43Å
76L96.6Very high94.5Very high3 Ų344.4 Ų44.42%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-100.7150-175.3-62.4-176.9000111.7L21 I22 L23 K30 L59 W86 Y89L21-L76 HydrophobicContact CD2-CD1 4.2Å; I22-L76 PolarHBondContact O-N 3.37Å; L23-L76 HydrophobicContact CD2-CB 4.23Å; L23-L76 HydrophobicContact CD2-CD1 3.77Å; L23-L76 HydrophobicContact CD2-CG 4.28Å; K30-L76 WeakPolarHBondContact CE-O 3.47Å; L59-L76 HydrophobicContact CB-CD2 3.97Å; L59-L76 HydrophobicContact CD1-CD2 3.52Å; L59-L76 HydrophobicContact CG-CD2 4.32Å; L76-W86 HydrophobicContact CD1-CB 4.38Å; L76-W86 HydrophobicContact CD1-CG 4.25Å; L76-Y89 HydrophobicContact CD1-CD2 3.55Å; L76-Y89 HydrophobicContact CD1-CE2 3.96Å; L76-Y89 HydrophobicContact CD1-CG 4.28Å; L76-Y89 HydrophobicContact CD2-CD2 4Å; L76-Y89 HydrophobicContact CD2-CE2 3.65Å; L76-Y89 HydrophobicContact CG-CD2 4.44Å
77G94.8Very high94.6Very high3 Ų348.1 Ų48.13%0.03125%0.253CS..  trans-55.1138.7169.900000112T56 G58 W86T56-G77 VanDerWaalsContact O-CA 3.31Å; T56-G77 WeakPolarHBondContact O-CA 3.33Å; G58-G77 PolarHBondContact O-N 2.82Å; G58-G77 VanDerWaalsContact O-N 3.09Å; G77-W86 PolarHBondContact O-NE1 2.84Å
78G95Very high94.9Very high3 Ų351.7 Ų51.73%0.03125%0.25CC..  trans-105.8-5-176.400000115.7G24 D26 Q83G24-G78 VanDerWaalsContact O-CA 3.32Å; G24-G78 WeakPolarHBondContact O-CA 3.23Å; D26-G78 PolarHBondContact N-O 3.46Å; G78-Q83 PolarHBondContact O-NE2 2.87Å; G78-Q83 VanDerWaalsContact O-NE2 3.12Å
79Q92.8Very high95.2Very high67 Ų6745.6 Ų45.631%0.31322%0.222SC..SBendtrans-61.6144.8174.5-64.8176.8-10.900109.2D26 E81 L82 Q83D26-Q79 HydrophobicContact CB-CG 3.93Å; Q79-E81 PolarHBondContact O-N 3.4Å; Q79-E81 VanDerWaalsContact O-N 3.13Å; Q79-L82 HydrophobicContact CB-CD1 4.49Å; Q79-L82 HydrophobicContact CB-CG 4.44Å; Q79-L82 WeakPolarHBondContact O-CA 3.35Å; Q79-L82 WeakPolarHBondContact O-CB 3.22Å; Q79-L82 PolarHBondContact O-N 2.81Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 3.05Å; Q79-Q83 VanDerWaalsContact O-N 3.12Å
80E92.5Very high95.4Very high144 Ų14445.9 Ų45.967%0.67322%0.222SC*.Hα-helixtrans-50.3-42.3-174.5-171.4176.3-173.700112.5L82 Q83E80-L82 PolarHBondContact O-N 2.76Å; E80-Q83 PolarHBondContact O-N 3.44Å
81E91.6Very high95.4Very high139 Ų13945.4 Ų45.465%0.6523%0.233SC*.Hα-helixtrans-63.2-32.2179.9-54.185.6173.600112.4Q79 S84Q79-E81 PolarHBondContact O-N 3.4Å; Q79-E81 VanDerWaalsContact O-N 3.13Å; E81-S84 PolarHBondContact O-OG 3.16Å
82L93Very high95.1Very high33 Ų3350.8 Ų50.817%0.17326%0.259CS..Hα-helixtrans-86.5-18-179.1-62.2-177.1000113.4Q79 E80 S84 L85Q79-L82 HydrophobicContact CB-CD1 4.49Å; Q79-L82 HydrophobicContact CB-CG 4.44Å; Q79-L82 WeakPolarHBondContact O-CA 3.35Å; Q79-L82 WeakPolarHBondContact O-CB 3.22Å; Q79-L82 PolarHBondContact O-N 2.81Å; E80-L82 PolarHBondContact O-N 2.76Å; L82-S84 PolarHBondContact O-N 2.75Å; L82-L85 HydrophobicContact CD2-CD1 4.09Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.48Å
83Q94.1Very high95.1Very high26 Ų2650 Ų5012%0.12126%0.255CS..Hα-helixtrans-62.1-26.1178.8-60.7-17515.700112.3L25 G78 Q79 E80 L85 W86L25-Q83 VanDerWaalsContact CD2-NE2 3.27Å; G78-Q83 PolarHBondContact O-NE2 2.87Å; G78-Q83 VanDerWaalsContact O-NE2 3.12Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 3.05Å; Q79-Q83 VanDerWaalsContact O-N 3.12Å; E80-Q83 PolarHBondContact O-N 3.44Å; Q83-L85 PolarHBondContact O-N 3.02Å; Q83-L85 VanDerWaalsContact O-N 3.11Å; Q83-W86 HydrophobicContact CB-CD2 4.23Å; Q83-W86 HydrophobicContact CB-CZ2 4.25Å; Q83-W86 HydrophobicContact CG-CD2 4.49Å; Q83-W86 HydrophobicContact CG-CH2 3.91Å; Q83-W86 HydrophobicContact CG-CZ2 3.62Å; Q83-W86 HydrophobicContact CG-CZ3 4.47Å; Q83-W86 WeakPolarHBondContact O-CB 3.47Å; Q83-W86 PolarHBondContact O-N 3.37Å; Q83-W86 VanDerWaalsContact O-N 3.12Å
84S92.4Very high95.1Very high81 Ų8150.8 Ų50.857%0.56626%0.258SS*.THydrogen-bonded Turntrans-60.8-14.4172.567.10000114.3E81 L82E81-S84 PolarHBondContact O-OG 3.16Å; L82-S84 PolarHBondContact O-N 2.75Å
85L93.4Very high95.1Very high49 Ų4950.1 Ų50.126%0.25726%0.256SS..THydrogen-bonded Turntrans-91.7-11.7177.8-59.5177.1000113.4L82 Q83 D87 K88 Y89L82-L85 HydrophobicContact CD2-CD1 4.09Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.48Å; Q83-L85 PolarHBondContact O-N 3.02Å; Q83-L85 VanDerWaalsContact O-N 3.11Å; L85-D87 PolarHBondContact O-N 3.31Å; L85-K88 HydrophobicContact CD2-CD 4.1Å; L85-K88 VanDerWaalsContact CD2-NZ 3.27Å; L85-K88 WeakPolarHBondContact O-CB 3.49Å; L85-K88 PolarHBondContact O-N 2.92Å; L85-Y89 VanDerWaalsContact O-CD2 3.26Å; L85-Y89 WeakPolarHBondContact O-CD2 3.47Å; L85-Y89 WeakPolarHBondContact O-CE2 3.43Å
86W97Very high95.2Very high5 Ų550.1 Ų50.12%0.01926%0.256CS..SBendtrans-63.5-41.6-172.3-67.4-1000112.5L23 L76 G77 Q83 K88 Y89 Y90 Y98 A114 V118L23-W86 HydrophobicContact CB-CZ3 4.47Å; L23-W86 HydrophobicContact CD1-CE3 4.31Å; L23-W86 HydrophobicContact CD2-CB 4.29Å; L23-W86 HydrophobicContact CD2-CD2 3.89Å; L23-W86 HydrophobicContact CD2-CE3 4.43Å; L23-W86 HydrophobicContact CD2-CG 3.82Å; L76-W86 HydrophobicContact CD1-CB 4.38Å; L76-W86 HydrophobicContact CD1-CG 4.25Å; G77-W86 PolarHBondContact O-NE1 2.84Å; Q83-W86 HydrophobicContact CB-CD2 4.23Å; Q83-W86 HydrophobicContact CB-CZ2 4.25Å; Q83-W86 HydrophobicContact CG-CD2 4.49Å; Q83-W86 HydrophobicContact CG-CH2 3.91Å; Q83-W86 HydrophobicContact CG-CZ2 3.62Å; Q83-W86 HydrophobicContact CG-CZ3 4.47Å; Q83-W86 WeakPolarHBondContact O-CB 3.47Å; Q83-W86 PolarHBondContact O-N 3.37Å; Q83-W86 VanDerWaalsContact O-N 3.12Å; W86-K88 PolarHBondContact O-N 3.32Å; W86-Y89 PolarHBondContact O-N 3.21Å; W86-Y89 VanDerWaalsContact O-N 3.13Å; W86-Y90 VanDerWaalsContact C-CE1 3.45Å; W86-Y90 HydrophobicContact CB-CE1 3.83Å; W86-Y90 WeakPolarHBondContact CB-OH 3.24Å; W86-Y90 WeakPolarHBondContact O-CD1 3.45Å; W86-Y90 WeakPolarHBondContact O-CE1 3.42Å; W86-Y98 HydrophobicContact CH2-CE2 4.39Å; W86-Y98 HydrophobicContact CZ3-CE2 4.3Å; W86-A114 HydrophobicContact CH2-CB 4.07Å; W86-A114 HydrophobicContact CZ3-CB 3.99Å; W86-V118 HydrophobicContact CE3-CG2 3.85Å; W86-V118 HydrophobicContact CZ3-CG2 3.93Å
87D96.1Very high95.3Very high99 Ų9950 Ų5053%0.52926%0.255SS..G310 helixtrans-63.1-28.8-175.465.2-4.4000113.9L85 Y89 Y90L85-D87 PolarHBondContact O-N 3.31Å; D87-Y89 PolarHBondContact O-N 3.03Å; D87-Y90 HydrophobicContact CB-CD2 3.96Å; D87-Y90 HydrophobicContact CB-CE2 3.86Å; D87-Y90 PolarHBondContact O-N 3.46Å; D87-Y90 VanDerWaalsContact O-N 3.1Å
88K95.7Very high95.5Very high141 Ų14149.8 Ų49.861%0.61325%0.253SS*.G310 helixtrans-57.4-23.4175.9-59.7-176.1179.81770113.1L85 W86L85-K88 HydrophobicContact CD2-CD 4.1Å; L85-K88 VanDerWaalsContact CD2-NZ 3.27Å; L85-K88 WeakPolarHBondContact O-CB 3.49Å; L85-K88 PolarHBondContact O-N 2.92Å; W86-K88 PolarHBondContact O-N 3.32Å
89Y96.3Very high95.6Very high56 Ų5649.7 Ų49.722%0.2225%0.252CS..G310 helixtrans-106.7-4.7-177.8-56.7-88.6000113.7L21 L59 W74 L76 L85 W86 D87 A91 E92 C93L21-Y89 HydrophobicContact CD2-CG 4.38Å; L59-Y89 HydrophobicContact CD2-CE1 3.84Å; W74-Y89 HydrophobicContact CD2-CD1 4.32Å; W74-Y89 AromaticContact CE3-CD1 3.84Å; W74-Y89 HydrophobicContact CE3-CD1 3.84Å; W74-Y89 HydrophobicContact CE3-CG 4.3Å; W74-Y89 HydrophobicContact CZ3-CD1 4.07Å; L76-Y89 HydrophobicContact CD1-CD2 3.55Å; L76-Y89 HydrophobicContact CD1-CE2 3.96Å; L76-Y89 HydrophobicContact CD1-CG 4.28Å; L76-Y89 HydrophobicContact CD2-CD2 4Å; L76-Y89 HydrophobicContact CD2-CE2 3.65Å; L76-Y89 HydrophobicContact CG-CD2 4.44Å; L85-Y89 VanDerWaalsContact O-CD2 3.26Å; L85-Y89 WeakPolarHBondContact O-CD2 3.47Å; L85-Y89 WeakPolarHBondContact O-CE2 3.43Å; W86-Y89 PolarHBondContact O-N 3.21Å; W86-Y89 VanDerWaalsContact O-N 3.13Å; D87-Y89 PolarHBondContact O-N 3.03Å; Y89-A91 PolarHBondContact O-N 2.98Å; Y89-E92 PolarHBondContact O-N 2.98Å; Y89-C93 PolarHBondContact O-N 3.42Å
90Y97.6Very high95.9Very high13 Ų1346.5 Ų46.55%0.05124%0.237CC..G310 helixtrans-66-37.2-175.6-69.3-5.9000112.8L21 L23 W86 D87 E92 C93 V118 S121 L124L21-Y90 HydrophobicContact CD1-CD1 3.63Å; L21-Y90 HydrophobicContact CD1-CE1 4.15Å; L23-Y90 HydrophobicContact CD1-CE1 3.91Å; W86-Y90 VanDerWaalsContact C-CE1 3.45Å; W86-Y90 HydrophobicContact CB-CE1 3.83Å; W86-Y90 WeakPolarHBondContact CB-OH 3.24Å; W86-Y90 WeakPolarHBondContact O-CD1 3.45Å; W86-Y90 WeakPolarHBondContact O-CE1 3.42Å; D87-Y90 HydrophobicContact CB-CD2 3.96Å; D87-Y90 HydrophobicContact CB-CE2 3.86Å; D87-Y90 PolarHBondContact O-N 3.46Å; D87-Y90 VanDerWaalsContact O-N 3.1Å; Y90-E92 PolarHBondContact O-N 3.36Å; Y90-C93 PolarHBondContact O-N 2.97Å; Y90-C93 PolarHBondContact O-SG 3.41Å; Y90-V118 WeakPolarHBondContact OH-CG2 3.22Å; Y90-S121 VanDerWaalsContact CD2-OG 3.28Å; Y90-S121 WeakPolarHBondContact CD2-OG 3.35Å; Y90-L124 HydrophobicContact CD1-CD1 3.81Å; Y90-L124 HydrophobicContact CD1-CD2 4.13Å; Y90-L124 HydrophobicContact CD1-CG 4.19Å; Y90-L124 HydrophobicContact CD2-CD1 3.84Å; Y90-L124 HydrophobicContact CD2-CG 3.97Å; Y90-L124 HydrophobicContact CE1-CD1 3.95Å; Y90-L124 HydrophobicContact CE2-CD1 3.99Å; Y90-L124 HydrophobicContact CG-CD1 3.76Å; Y90-L124 HydrophobicContact CG-CD2 3.95Å; Y90-L124 HydrophobicContact CG-CG 3.75Å
91A95Very high96.2Very high61 Ų6140.2 Ų40.250%0.50421%0.208SC..G310 helixtrans-64.9-29-177.100000112.8Y89 R193Y89-A91 PolarHBondContact O-N 2.98Å; A91-R193 PolarHBondContact O-NH1 3.13Å
92E92.3Very high96.6Very high113 Ų11333.6 Ų33.653%0.52818%0.177SC..G310 helixtrans-100-6.9-175.2-60.1-171.7128.900113.6W74 Y89 Y90 H94W74-E92 HydrophobicContact CH2-CB 3.62Å; W74-E92 VanDerWaalsContact CH2-OE2 3.29Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.31Å; W74-E92 HydrophobicContact CZ3-CB 3.82Å; Y89-E92 PolarHBondContact O-N 2.98Å; Y90-E92 PolarHBondContact O-N 3.36Å; E92-H94 PolarHBondContact O-CE1 3.41Å; E92-H94 PolarHBondContact O-ND1 3.25Å
93C96.4Very high96.8Very high0 Ų034.4 Ų34.40%018%0.183CC..  trans-80.6149.2-177.286.50000112.1L21 Y89 Y90 L124L21-C93 HydrophobicContact CD1-CB 3.62Å; L21-C93 HydrophobicContact CG-CB 3.63Å; Y89-C93 PolarHBondContact O-N 3.42Å; Y90-C93 PolarHBondContact O-N 2.97Å; Y90-C93 PolarHBondContact O-SG 3.41Å; C93-L124 WeakPolarHBondContact SG-CD2 3.46Å
94H98.3Very high97Very high16 Ų1634.5 Ų34.57%0.07419%0.185CC..SBendtrans-107.7-18.6178.3-55.268.7000111.2Y18 C19 E92 P128 V187 P194Y18-H94 HydrophobicContact CD1-CB 4.1Å; Y18-H94 AromaticContact CD1-CD2 3.74Å; C19-H94 WeakPolarHBondContact CB-ND1 3.32Å; C19-H94 PolarHBondContact N-ND1 2.95Å; C19-H94 PolarHBondContact O-N 2.86Å; E92-H94 PolarHBondContact O-CE1 3.41Å; E92-H94 PolarHBondContact O-ND1 3.25Å; H94-P128 VanDerWaalsContact O-CD 3.24Å; H94-P128 WeakPolarHBondContact O-CD 3.16Å; H94-P128 WeakPolarHBondContact O-CG 3.39Å; H94-V187 HydrophobicContact CB-CB 4.4Å; H94-V187 HydrophobicContact CB-CG1 4.23Å; H94-V187 VanDerWaalsContact O-CG1 3.31Å; H94-V187 WeakPolarHBondContact O-CG1 3.45Å; H94-P194 PolarHBondContact CD2-O 2.78Å; H94-P194 PolarHBondContact NE2-O 3.28Å; H94-P194 VanDerWaalsContact NE2-O 3.08Å
95G98.6Very high97.1Very high0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans-160.2156.6177.200000111.4C19 I20 L21C19-G95 PolarHBondContact O-N 2.9Å; I20-G95 WeakPolarHBondContact CA-O 3.35Å; L21-G95 PolarHBondContact N-O 3.08Å
96V98.8Very high97.3Very high0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-123.5132.2177.8178.30000109.6L21 L23 V118 L124 V127 P128 V129 L130 M183L21-V96 HydrophobicContact CB-CG2 4.33Å; L21-V96 HydrophobicContact CD1-CG2 4.47Å; L21-V96 CarbonylContact O-C 3.6Å; L23-V96 HydrophobicContact CD1-CG1 3.98Å; L23-V96 HydrophobicContact CG-CG1 4.37Å; V96-V118 HydrophobicContact CG1-CG1 4.17Å; V96-L124 HydrophobicContact CG2-CD1 4.26Å; V96-L124 HydrophobicContact CG2-CD2 4Å; V96-V127 HydrophobicContact CG2-CG1 4.1Å; V96-P128 PolarHBondContact N-O 3.47Å; V96-V129 HydrophobicContact CB-CG2 4.3Å; V96-V129 CarbonylContact O-C 3.51Å; V96-V129 WeakPolarHBondContact O-CA 3.14Å; V96-L130 PolarHBondContact O-N 2.93Å; V96-M183 WeakPolarHBondContact O-CE 3.18Å
97I98.9Very high97.3Very high0 Ų046.8 Ų46.80%023%0.23CC..EExtended strand (participates in β ladder)trans-107.8114.8166.6-58.2-179.5000106.9I20 L21 I22 L23 F33 F73 V99 L130 L132 I180 M183I20-I97 HydrophobicContact CG2-CD1 3.85Å; I20-I97 HydrophobicContact CG2-CG1 3.77Å; L21-I97 PolarHBondContact O-N 2.82Å; I22-I97 CarbonylContact C-O 3.55Å; I22-I97 WeakPolarHBondContact CA-O 3.39Å; I22-I97 HydrophobicContact CG1-CB 4.47Å; L23-I97 PolarHBondContact N-O 3.25Å; F33-I97 HydrophobicContact CE1-CD1 3.65Å; F33-I97 HydrophobicContact CE1-CG2 4.34Å; F33-I97 HydrophobicContact CZ-CD1 4.14Å; F73-I97 HydrophobicContact CD1-CD1 4.46Å; F73-I97 HydrophobicContact CE1-CD1 3.89Å; I97-V99 HydrophobicContact CG2-CG2 4.16Å; I97-L130 CarbonylContact C-O 3.59Å; I97-L130 VanDerWaalsContact CA-O 3.31Å; I97-L130 WeakPolarHBondContact CA-O 3.41Å; I97-L130 HydrophobicContact CD1-CD2 4.36Å; I97-L130 HydrophobicContact CG1-CB 4.25Å; I97-L130 HydrophobicContact CG1-CD2 4.22Å; I97-L130 HydrophobicContact CG2-CD2 4.45Å; I97-L132 HydrophobicContact CG2-CD1 3.51Å; I97-L132 HydrophobicContact CG2-CG 3.92Å; I97-I180 HydrophobicContact CD1-CD1 3.96Å; I97-M183 HydrophobicContact CG1-CE 3.81Å
98Y98.8Very high97.4Very high0 Ų043.1 Ų43.10%021%0.21CC..EExtended strand (participates in β ladder)trans-103.5120.5175.4-165.7-93.3000109.9L23 W86 I100 S111 A114 F115 V118 L130 V131 L132L23-Y98 HydrophobicContact CB-CD2 3.9Å; L23-Y98 HydrophobicContact CB-CE2 4.32Å; L23-Y98 WeakPolarHBondContact O-CA 3.31Å; W86-Y98 HydrophobicContact CH2-CE2 4.39Å; W86-Y98 HydrophobicContact CZ3-CE2 4.3Å; Y98-I100 HydrophobicContact CD1-CD1 4.43Å; Y98-I100 HydrophobicContact CD1-CG1 3.85Å; Y98-I100 HydrophobicContact CE1-CG1 3.86Å; Y98-S111 PolarHBondContact OH-O 3.47Å; Y98-S111 PolarHBondContact OH-OG 2.85Å; Y98-A114 WeakPolarHBondContact OH-CB 3.38Å; Y98-F115 HydrophobicContact CD1-CB 4.14Å; Y98-F115 AromaticContact CD1-CD2 3.53Å; Y98-F115 HydrophobicContact CD1-CD2 3.53Å; Y98-F115 HydrophobicContact CD1-CE2 4.29Å; Y98-F115 HydrophobicContact CD1-CG 4.17Å; Y98-F115 HydrophobicContact CD2-CB 4.5Å; Y98-F115 AromaticContact CD2-CD2 3.81Å; Y98-F115 HydrophobicContact CD2-CD2 3.81Å; Y98-F115 HydrophobicContact CE1-CB 3.65Å; Y98-F115 AromaticContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CG 4.17Å; Y98-F115 HydrophobicContact CE2-CB 4.06Å; Y98-F115 HydrophobicContact CE2-CD2 4.21Å; Y98-F115 AromaticContact CG-CD2 3.45Å; Y98-F115 HydrophobicContact CG-CD2 3.45Å; Y98-F115 VanDerWaalsContact CG-CD2 3.45Å; Y98-F115 HydrophobicContact CG-CE2 4.09Å; Y98-F115 HydrophobicContact CG-CG 4.42Å; Y98-F115 PolarHBondContact OH-N 3.42Å; Y98-V118 HydrophobicContact CE2-CG2 4.44Å; Y98-L130 PolarHBondContact N-O 2.95Å; Y98-V131 CarbonylContact O-C 3.54Å; Y98-V131 WeakPolarHBondContact O-CA 3.26Å; Y98-L132 PolarHBondContact O-N 3.18Å
99V98.9Very high97.4Very high0 Ų039.4 Ų39.40%021%0.205CC..EExtended strand (participates in β ladder)trans-103.6120.5-174.3-169.30000109.9I22 L23 A28 K30 I97 L132 N134I22-V99 HydrophobicContact CG2-CG2 3.93Å; L23-V99 PolarHBondContact O-N 3.37Å; A28-V99 HydrophobicContact CB-CB 4.36Å; A28-V99 HydrophobicContact CB-CG1 4.16Å; A28-V99 WeakPolarHBondContact CB-O 3.25Å; A28-V99 VanDerWaalsContact O-CG1 3.27Å; A28-V99 WeakPolarHBondContact O-CG1 3.43Å; K30-V99 HydrophobicContact CG-CB 3.93Å; K30-V99 HydrophobicContact CG-CG2 3.87Å; I97-V99 HydrophobicContact CG2-CG2 4.16Å; V99-L132 HydrophobicContact CG2-CD1 4.38Å; V99-N134 HydrophobicContact CG1-CB 3.64Å
100I98.8Very high97.5Very high1 Ų139.7 Ų39.71%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-103.4130.3175.9-61172.5000107.9Y98 S102 L108 V131 L132 N134 I147 F151Y98-I100 HydrophobicContact CD1-CD1 4.43Å; Y98-I100 HydrophobicContact CD1-CG1 3.85Å; Y98-I100 HydrophobicContact CE1-CG1 3.86Å; I100-S102 PolarHBondContact O-N 3.34Å; I100-L108 HydrophobicContact CG2-CD1 3.91Å; I100-V131 HydrophobicContact CD1-CG1 3.46Å; I100-V131 VanDerWaalsContact CD1-CG1 3.46Å; I100-V131 HydrophobicContact CG1-CG1 4.18Å; I100-L132 PolarHBondContact N-O 3.46Å; I100-N134 WeakPolarHBondContact O-CA 3.47Å; I100-N134 WeakPolarHBondContact O-CB 3.34Å; I100-N134 PolarHBondContact O-N 3.28Å; I100-I147 HydrophobicContact CD1-CG2 3.62Å; I100-I147 HydrophobicContact CG2-CD1 4.28Å; I100-F151 HydrophobicContact CD1-CD1 4.31Å; I100-F151 HydrophobicContact CD1-CD2 4.38Å; I100-F151 HydrophobicContact CD1-CE1 3.74Å; I100-F151 HydrophobicContact CD1-CE2 3.86Å; I100-F151 HydrophobicContact CD1-CZ 3.5Å; I100-F151 HydrophobicContact CG1-CE1 4.46Å; I100-F151 HydrophobicContact CG1-CZ 4.09Å
101D98.6Very high97.5Very high12 Ų1239.3 Ų39.36%0.06421%0.208CC..EExtended strand (participates in β ladder)trans-74.7111.5167.1-168.5-22.4000109.1A28 T103 D104 K135A28-D101 HydrophobicContact CB-CB 4.34Å; D101-T103 PolarHBondContact O-N 3.01Å; D101-T103 WeakPolarHBondContact OD1-CA 3.36Å; D101-T103 WeakPolarHBondContact OD1-CB 3.42Å; D101-T103 PolarHBondContact OD1-N 3.17Å; D101-T103 PolarHBondContact OD1-OG1 3.39Å; D101-D104 HydrophobicContact CB-CB 3.79Å; D101-K135 WeakPolarHBondContact OD1-CD 2.94Å; D101-K135 IonicContact OD1-NZ 2.78Å; D101-K135 WeakPolarHBondContact OD2-CE 3.45Å; D101-K135 IonicContact OD2-NZ 3.11Å; D101-K135 PolarHBondContact OD2-NZ 3.05Å
102S98.6Very high97.7Very high0 Ų038.5 Ų38.50%019%0.193CC..THydrogen-bonded Turntrans-75.8-7.6179.3-45.60000112.3I100 A133 N134 Q136 C141 L142I100-S102 PolarHBondContact O-N 3.34Å; S102-A133 VanDerWaalsContact OG-C 3.28Å; S102-N134 WeakPolarHBondContact CB-O 3.44Å; S102-N134 PolarHBondContact N-O 3.06Å; S102-N134 PolarHBondContact OG-N 3.23Å; S102-N134 PolarHBondContact OG-O 3.42Å; S102-Q136 VanDerWaalsContact CB-NE2 3.29Å; S102-Q136 PolarHBondContact OG-NE2 3.25Å; S102-C141 CarbonylContact O-C 3.51Å; S102-C141 WeakPolarHBondContact O-CA 3.5Å; S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 WeakPolarHBondContact O-CG 3.28Å; S102-L142 PolarHBondContact O-N 2.85Å
103T98.2Very high97.9Very high49 Ų4939 Ų3930%0.30120%0.196SC..THydrogen-bonded Turntrans-99.5-8-179.863.90000113.2D101 K135 V138 C141D101-T103 PolarHBondContact O-N 3.01Å; D101-T103 WeakPolarHBondContact OD1-CA 3.36Å; D101-T103 WeakPolarHBondContact OD1-CB 3.42Å; D101-T103 PolarHBondContact OD1-N 3.17Å; D101-T103 PolarHBondContact OD1-OG1 3.39Å; T103-K135 HydrophobicContact CG2-CB 3.91Å; T103-K135 HydrophobicContact CG2-CD 4.48Å; T103-V138 HydrophobicContact CG2-CB 3.57Å; T103-V138 HydrophobicContact CG2-CG1 3.73Å; T103-V138 HydrophobicContact CG2-CG2 3.89Å; T103-C141 HydrophobicContact CG2-CB 3.96Å
104D97.5Very high98Very high28 Ų2839.1 Ų39.115%0.1520%0.196CC..  trans-10872.3-173.9-164.8-19.4000110D101 E106 R107 L108D101-D104 HydrophobicContact CB-CB 3.79Å; D104-E106 PolarHBondContact O-N 3.44Å; D104-R107 WeakPolarHBondContact OD1-CB 3.44Å; D104-R107 PolarHBondContact OD1-N 3.45Å; D104-R107 IonicContact OD1-NE 3.79Å; D104-R107 IonicContact OD2-CZ 2.92Å; D104-R107 IonicContact OD2-NE 2.72Å; D104-R107 PolarHBondContact OD2-NE 3.42Å; D104-R107 IonicContact OD2-NH2 3.45Å; D104-R107 PolarHBondContact OD2-NH2 2.99Å; D104-L108 PolarHBondContact O-N 2.8Å
105E95.5Very high97.9Very high142 Ų14238.5 Ų38.566%0.66419%0.194SC*.SBendtrans-64.1-34.1177.9-170.8175.1173.900111.3R107 L108 L142E105-R107 PolarHBondContact O-N 2.75Å; E105-L108 VanDerWaalsContact O-CB 3.26Å; E105-L108 WeakPolarHBondContact O-CB 3.28Å; E105-L108 PolarHBondContact O-N 2.85Å; E105-L108 VanDerWaalsContact O-N 3.17Å; E105-L142 HydrophobicContact CB-CD1 4.42Å
106E97.2Very high97.9Very high190 Ų19041.4 Ų41.489%0.88821%0.207SC*.THydrogen-bonded Turntrans-59.1-43.2179.5-63.6-175175.400112.1D104D104-E106 PolarHBondContact O-N 3.44Å
107R97.6Very high97.7Very high61 Ų6147.7 Ų47.723%0.2323%0.234CC..THydrogen-bonded Turntrans-95.710.9178.2-59.6-168.5-65.3161.55.6114L25 D26 D104 E105 A109 E110 S111L25-R107 HydrophobicContact CD1-CB 3.92Å; D26-R107 PolarHBondContact O-NH2 2.93Å; D26-R107 IonicContact OD1-NH1 3.28Å; D26-R107 PolarHBondContact OD1-NH1 2.81Å; D26-R107 VanDerWaalsContact OD1-NH1 3.11Å; D26-R107 IonicContact OD2-NH1 3.17Å; D26-R107 PolarHBondContact OD2-NH1 3.13Å; D26-R107 VanDerWaalsContact OD2-NH1 3.12Å; D104-R107 WeakPolarHBondContact OD1-CB 3.44Å; D104-R107 PolarHBondContact OD1-N 3.45Å; D104-R107 IonicContact OD1-NE 3.79Å; D104-R107 IonicContact OD2-CZ 2.92Å; D104-R107 IonicContact OD2-NE 2.72Å; D104-R107 PolarHBondContact OD2-NE 3.42Å; D104-R107 IonicContact OD2-NH2 3.45Å; D104-R107 PolarHBondContact OD2-NH2 2.99Å; E105-R107 PolarHBondContact O-N 2.75Å; R107-A109 VanDerWaalsContact C-N 3.29Å; R107-A109 PolarHBondContact O-N 2.86Å; R107-E110 HydrophobicContact CB-CB 4.46Å; R107-E110 WeakPolarHBondContact O-CB 3.23Å; R107-E110 PolarHBondContact O-N 2.85Å; R107-S111 PolarHBondContact O-N 2.85Å
108L97.4Very high97.6Very high22 Ų2247.7 Ų47.712%0.11524%0.235CC..Hα-helixtrans-61.8-38179.7-167.968.5000112.1I100 D104 E105 S111 K112 L142 A150 F151I100-L108 HydrophobicContact CG2-CD1 3.91Å; D104-L108 PolarHBondContact O-N 2.8Å; E105-L108 VanDerWaalsContact O-CB 3.26Å; E105-L108 WeakPolarHBondContact O-CB 3.28Å; E105-L108 PolarHBondContact O-N 2.85Å; E105-L108 VanDerWaalsContact O-N 3.17Å; L108-S111 PolarHBondContact O-N 2.75Å; L108-K112 PolarHBondContact O-N 2.9Å; L108-L142 HydrophobicContact CD1-CD1 4.15Å; L108-L142 HydrophobicContact CD2-CD1 3.73Å; L108-L142 HydrophobicContact CG-CD1 4.48Å; L108-A150 HydrophobicContact CD2-CB 3.6Å; L108-A150 HydrophobicContact CG-CB 4.3Å; L108-F151 HydrophobicContact CD1-CE2 3.76Å; L108-F151 HydrophobicContact CD1-CZ 4.46Å; L108-F151 HydrophobicContact CG-CE2 4.13Å
109A97.1Very high97.5Very high63 Ų6347.8 Ų47.852%0.52124%0.235SC..Hα-helixtrans-66.2-40.1176.500000112.3R107 K112 Q113R107-A109 VanDerWaalsContact C-N 3.29Å; R107-A109 PolarHBondContact O-N 2.86Å; A109-K112 WeakPolarHBondContact O-CB 2.91Å; A109-K112 PolarHBondContact O-N 2.96Å; A109-Q113 WeakPolarHBondContact O-CG 3.39Å; A109-Q113 PolarHBondContact O-N 3.12Å
110E97.9Very high97.4Very high62 Ų6251.3 Ų51.329%0.2926%0.257SS..Hα-helixtrans-63.1-45.6173.8-173.5-163.9149.900110.5L25 R107 K112 Q113 A114L25-E110 HydrophobicContact CD1-CB 4.08Å; L25-E110 HydrophobicContact CD1-CG 4.05Å; L25-E110 HydrophobicContact CD2-CG 4.14Å; L25-E110 WeakPolarHBondContact CD2-OE1 3.32Å; R107-E110 HydrophobicContact CB-CB 4.46Å; R107-E110 WeakPolarHBondContact O-CB 3.23Å; R107-E110 PolarHBondContact O-N 2.85Å; E110-K112 VanDerWaalsContact C-N 3.29Å; E110-K112 PolarHBondContact O-N 3.28Å; E110-Q113 PolarHBondContact O-N 3.48Å; E110-Q113 VanDerWaalsContact O-N 3.11Å; E110-A114 PolarHBondContact O-N 2.68Å
111S98.2Very high97.2Very high6 Ų652.7 Ų52.74%0.04227%0.266CS..Hα-helixtrans-61.1-37.9176.6-173.90000111.8Y98 R107 L108 F115Y98-S111 PolarHBondContact OH-O 3.47Å; Y98-S111 PolarHBondContact OH-OG 2.85Å; R107-S111 PolarHBondContact O-N 2.85Å; L108-S111 PolarHBondContact O-N 2.75Å; S111-F115 WeakPolarHBondContact O-CB 3.43Å; S111-F115 PolarHBondContact O-N 2.97Å
112K97.8Very high97Very high44 Ų4460.6 Ų60.619%0.19130%0.303CS..Hα-helixtrans-62.3-45.8172.7178.6-170.5177.2170.70111.8L108 A109 E110 F115 E116 A150 F151 D153L108-K112 PolarHBondContact O-N 2.9Å; A109-K112 WeakPolarHBondContact O-CB 2.91Å; A109-K112 PolarHBondContact O-N 2.96Å; E110-K112 VanDerWaalsContact C-N 3.29Å; E110-K112 PolarHBondContact O-N 3.28Å; K112-F115 PolarHBondContact O-N 3.32Å; K112-E116 WeakPolarHBondContact O-CB 3.38Å; K112-E116 PolarHBondContact O-N 3.46Å; K112-A150 WeakPolarHBondContact CD-O 3.43Å; K112-A150 WeakPolarHBondContact CE-O 3.45Å; K112-A150 PolarHBondContact NZ-O 3.09Å; K112-F151 HydrophobicContact CB-CD1 4.38Å; K112-F151 HydrophobicContact CB-CE1 4.03Å; K112-F151 HydrophobicContact CB-CE2 4.23Å; K112-F151 HydrophobicContact CB-CZ 3.93Å; K112-F151 HydrophobicContact CG-CD1 4.37Å; K112-F151 HydrophobicContact CG-CE1 4.49Å; K112-D153 IonicContact NZ-OD2 3.12Å; K112-D153 PolarHBondContact NZ-OD2 2.91Å
113Q96.8Very high96.9Very high124 Ų12462.4 Ų62.458%0.57932%0.318SS*.Hα-helixtrans-63.5-42.3179.2-70.1175.91500111.9A109 E110 E116 K117A109-Q113 WeakPolarHBondContact O-CG 3.39Å; A109-Q113 PolarHBondContact O-N 3.12Å; E110-Q113 PolarHBondContact O-N 3.48Å; E110-Q113 VanDerWaalsContact O-N 3.11Å; Q113-E116 PolarHBondContact O-N 3.18Å; Q113-K117 WeakPolarHBondContact O-CG 3.13Å; Q113-K117 PolarHBondContact O-N 3.35Å; Q113-K117 VanDerWaalsContact O-N 3.16Å
114A97.7Very high96.8Very high1 Ų160.2 Ų60.21%0.00830%0.304CS..Hα-helixtrans-63.8-43.817500000111.6L25 W86 Y98 E110 E116 K117 V118L25-A114 HydrophobicContact CD2-CB 4.12Å; W86-A114 HydrophobicContact CH2-CB 4.07Å; W86-A114 HydrophobicContact CZ3-CB 3.99Å; Y98-A114 WeakPolarHBondContact OH-CB 3.38Å; E110-A114 PolarHBondContact O-N 2.68Å; A114-E116 VanDerWaalsContact C-N 3.33Å; A114-E116 PolarHBondContact O-N 3.22Å; A114-K117 PolarHBondContact O-N 2.94Å; A114-V118 WeakPolarHBondContact O-CG2 3.41Å; A114-V118 PolarHBondContact O-N 2.98Å
115F98Very high96.6Very high4 Ų463.4 Ų63.42%0.01833%0.328CS..Hα-helixtrans-60.7-42.3174.3-179.6-111.8000112.4Y98 S111 K112 K117 V118 V119 V129 V131 F151 C154 I158Y98-F115 HydrophobicContact CD1-CB 4.14Å; Y98-F115 AromaticContact CD1-CD2 3.53Å; Y98-F115 HydrophobicContact CD1-CD2 3.53Å; Y98-F115 HydrophobicContact CD1-CE2 4.29Å; Y98-F115 HydrophobicContact CD1-CG 4.17Å; Y98-F115 HydrophobicContact CD2-CB 4.5Å; Y98-F115 AromaticContact CD2-CD2 3.81Å; Y98-F115 HydrophobicContact CD2-CD2 3.81Å; Y98-F115 HydrophobicContact CE1-CB 3.65Å; Y98-F115 AromaticContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CG 4.17Å; Y98-F115 HydrophobicContact CE2-CB 4.06Å; Y98-F115 HydrophobicContact CE2-CD2 4.21Å; Y98-F115 AromaticContact CG-CD2 3.45Å; Y98-F115 HydrophobicContact CG-CD2 3.45Å; Y98-F115 VanDerWaalsContact CG-CD2 3.45Å; Y98-F115 HydrophobicContact CG-CE2 4.09Å; Y98-F115 HydrophobicContact CG-CG 4.42Å; Y98-F115 PolarHBondContact OH-N 3.42Å; S111-F115 WeakPolarHBondContact O-CB 3.43Å; S111-F115 PolarHBondContact O-N 2.97Å; K112-F115 PolarHBondContact O-N 3.32Å; F115-K117 PolarHBondContact O-N 3.44Å; F115-V118 WeakPolarHBondContact O-CB 3.42Å; F115-V118 PolarHBondContact O-N 2.87Å; F115-V118 VanDerWaalsContact O-N 3.11Å; F115-V119 HydrophobicContact CD1-CG1 4.27Å; F115-V119 HydrophobicContact CD1-CG2 4.43Å; F115-V119 HydrophobicContact CD2-CG1 4.15Å; F115-V119 HydrophobicContact CE1-CG1 3.74Å; F115-V119 HydrophobicContact CE1-CG2 4.29Å; F115-V119 HydrophobicContact CE2-CG1 3.6Å; F115-V119 HydrophobicContact CG-CG1 4.49Å; F115-V119 HydrophobicContact CZ-CG1 3.38Å; F115-V119 WeakPolarHBondContact O-CG2 3.28Å; F115-V119 PolarHBondContact O-N 2.88Å; F115-V129 HydrophobicContact CE2-CG1 3.93Å; F115-V129 HydrophobicContact CZ-CG1 4.38Å; F115-V131 HydrophobicContact CE2-CG2 3.74Å; F115-V131 HydrophobicContact CZ-CG2 3.8Å; F115-F151 HydrophobicContact CB-CD1 4.26Å; F115-F151 HydrophobicContact CB-CE1 3.73Å; F115-F151 AromaticContact CD1-CD1 3.6Å; F115-F151 HydrophobicContact CD1-CD1 3.6Å; F115-F151 AromaticContact CD1-CE1 3.97Å; F115-F151 HydrophobicContact CD1-CE1 3.97Å; F115-F151 HydrophobicContact CE1-CD1 4.19Å; F115-F151 HydrophobicContact CG-CD1 4.09Å; F115-F151 AromaticContact CG-CE1 3.97Å; F115-F151 HydrophobicContact CG-CE1 3.97Å; F115-C154 HydrophobicContact CD1-CB 3.96Å; F115-C154 HydrophobicContact CE1-CB 3.86Å; F115-I158 HydrophobicContact CZ-CD1 4.5Å
116E97Very high96.5Very high60 Ų6058.5 Ų58.528%0.2832%0.315SS..Hα-helixtrans-57.9-49179-176.5170145.700111.1K112 Q113 A114 V118 V119 T120 K157K112-E116 WeakPolarHBondContact O-CB 3.38Å; K112-E116 PolarHBondContact O-N 3.46Å; Q113-E116 PolarHBondContact O-N 3.18Å; A114-E116 VanDerWaalsContact C-N 3.33Å; A114-E116 PolarHBondContact O-N 3.22Å; E116-V118 PolarHBondContact O-N 3.14Å; E116-V119 WeakPolarHBondContact O-CG2 3.31Å; E116-V119 PolarHBondContact O-N 2.63Å; E116-T120 HydrophobicContact CG-CG2 4.15Å; E116-T120 WeakPolarHBondContact O-CG2 3.5Å; E116-T120 PolarHBondContact O-N 3.19Å; E116-T120 PolarHBondContact O-OG1 3.2Å; E116-K157 HydrophobicContact CG-CD 3.81Å; E116-K157 IonicContact OE1-NZ 3.94Å; E116-K157 PolarHBondContact OE1-NZ 2.74Å; E116-K157 IonicContact OE2-NZ 2.74Å; E116-K157 PolarHBondContact OE2-NZ 3.21Å
117K96.2Very high96.6Very high132 Ų13249.4 Ų49.457%0.57427%0.272SS*.Hα-helixtrans-55-38175.8-67.7171.7-173.9173.70112.2Q113 A114 F115 T120 S121Q113-K117 WeakPolarHBondContact O-CG 3.13Å; Q113-K117 PolarHBondContact O-N 3.35Å; Q113-K117 VanDerWaalsContact O-N 3.16Å; A114-K117 PolarHBondContact O-N 2.94Å; F115-K117 PolarHBondContact O-N 3.44Å; K117-T120 PolarHBondContact O-OG1 2.96Å; K117-S121 PolarHBondContact O-N 3.35Å
118V96.9Very high96.6Very high1 Ų146.6 Ų46.61%0.00626%0.262CS..Hα-helixtrans-66.6-55.5176.5176.50000110.2L23 W86 Y90 V96 Y98 A114 F115 E116 T120 S121 L124L23-V118 HydrophobicContact CD1-CG1 3.96Å; L23-V118 HydrophobicContact CD1-CG2 3.77Å; W86-V118 HydrophobicContact CE3-CG2 3.85Å; W86-V118 HydrophobicContact CZ3-CG2 3.93Å; Y90-V118 WeakPolarHBondContact OH-CG2 3.22Å; V96-V118 HydrophobicContact CG1-CG1 4.17Å; Y98-V118 HydrophobicContact CE2-CG2 4.44Å; A114-V118 WeakPolarHBondContact O-CG2 3.41Å; A114-V118 PolarHBondContact O-N 2.98Å; F115-V118 WeakPolarHBondContact O-CB 3.42Å; F115-V118 PolarHBondContact O-N 2.87Å; F115-V118 VanDerWaalsContact O-N 3.11Å; E116-V118 PolarHBondContact O-N 3.14Å; V118-T120 VanDerWaalsContact C-N 3.3Å; V118-T120 PolarHBondContact O-N 2.76Å; V118-S121 WeakPolarHBondContact O-CB 3.41Å; V118-S121 PolarHBondContact O-N 3.01Å; V118-S121 VanDerWaalsContact O-N 3.16Å; V118-L124 HydrophobicContact CB-CD1 4.49Å; V118-L124 HydrophobicContact CG1-CD1 3.52Å; V118-L124 VanDerWaalsContact O-CD1 3.31Å; V118-L124 WeakPolarHBondContact O-CD1 3.4Å
119V96.2Very high96.7Very high2 Ų245.7 Ų45.71%0.01226%0.257CS..Hα-helixtrans-70.8-23.9-173-63.70000114F115 E116 S121 K157 I158 R161F115-V119 HydrophobicContact CD1-CG1 4.27Å; F115-V119 HydrophobicContact CD1-CG2 4.43Å; F115-V119 HydrophobicContact CD2-CG1 4.15Å; F115-V119 HydrophobicContact CE1-CG1 3.74Å; F115-V119 HydrophobicContact CE1-CG2 4.29Å; F115-V119 HydrophobicContact CE2-CG1 3.6Å; F115-V119 HydrophobicContact CG-CG1 4.49Å; F115-V119 HydrophobicContact CZ-CG1 3.38Å; F115-V119 WeakPolarHBondContact O-CG2 3.28Å; F115-V119 PolarHBondContact O-N 2.88Å; E116-V119 WeakPolarHBondContact O-CG2 3.31Å; E116-V119 PolarHBondContact O-N 2.63Å; V119-S121 VanDerWaalsContact C-N 3.35Å; V119-K157 HydrophobicContact CG2-CB 4.1Å; V119-I158 HydrophobicContact CG1-CG1 4.36Å; V119-R161 VanDerWaalsContact O-CZ 3.32Å; V119-R161 PolarHBondContact O-NH1 3.45Å; V119-R161 PolarHBondContact O-NH2 3.39Å
120T95.5Very high96.7Very high74 Ų7442.7 Ų42.745%0.45423%0.233SC..THydrogen-bonded Turntrans-84.4-6.9175.458.50000113.6E116 K117 V118 E122 K157E116-T120 HydrophobicContact CG-CG2 4.15Å; E116-T120 WeakPolarHBondContact O-CG2 3.5Å; E116-T120 PolarHBondContact O-N 3.19Å; E116-T120 PolarHBondContact O-OG1 3.2Å; K117-T120 PolarHBondContact O-OG1 2.96Å; V118-T120 VanDerWaalsContact C-N 3.3Å; V118-T120 PolarHBondContact O-N 2.76Å; T120-E122 PolarHBondContact O-N 3.47Å; T120-K157 HydrophobicContact CG2-CB 3.95Å; T120-K157 HydrophobicContact CG2-CD 3.8Å; T120-K157 HydrophobicContact CG2-CG 4.13Å
121S96.3Very high96.8Very high29 Ų2940 Ų4020%0.20322%0.22CC..  trans-68.6127.3179-175.20000111.5Y90 K117 V118 V119 A123 L124Y90-S121 VanDerWaalsContact CD2-OG 3.28Å; Y90-S121 WeakPolarHBondContact CD2-OG 3.35Å; K117-S121 PolarHBondContact O-N 3.35Å; V118-S121 WeakPolarHBondContact O-CB 3.41Å; V118-S121 PolarHBondContact O-N 3.01Å; V118-S121 VanDerWaalsContact O-N 3.16Å; V119-S121 VanDerWaalsContact C-N 3.35Å; S121-A123 VanDerWaalsContact C-N 3.25Å; S121-A123 PolarHBondContact O-N 3.41Å; S121-L124 PolarHBondContact O-N 2.98Å
122E94.2Very high96.8Very high179 Ų17939.8 Ų39.884%0.83622%0.219SC*.G310 helixtrans-61.4-34.1176.9-64.5-173.6168.300112.3T120 L124 C125T120-E122 PolarHBondContact O-N 3.47Å; E122-L124 PolarHBondContact O-N 3.34Å; E122-C125 WeakPolarHBondContact O-CB 3.43Å; E122-C125 PolarHBondContact O-N 2.97Å
123A96.1Very high96.9Very high37 Ų3737.7 Ų37.731%0.30621%0.209SC..G310 helixtrans-62.1-23.8176.300000112.6S121 R193S121-A123 VanDerWaalsContact C-N 3.25Å; S121-A123 PolarHBondContact O-N 3.41Å; A123-R193 PolarHBondContact O-NH2 2.62Å
124L96.2Very high97Very high4 Ų432 Ų322%0.02118%0.183CC..G310 helixtrans-99.314.6177.5-61.4178.7000112.8Y90 C93 V96 V118 S121 E122 G126 V127 R161Y90-L124 HydrophobicContact CD1-CD1 3.81Å; Y90-L124 HydrophobicContact CD1-CD2 4.13Å; Y90-L124 HydrophobicContact CD1-CG 4.19Å; Y90-L124 HydrophobicContact CD2-CD1 3.84Å; Y90-L124 HydrophobicContact CD2-CG 3.97Å; Y90-L124 HydrophobicContact CE1-CD1 3.95Å; Y90-L124 HydrophobicContact CE2-CD1 3.99Å; Y90-L124 HydrophobicContact CG-CD1 3.76Å; Y90-L124 HydrophobicContact CG-CD2 3.95Å; Y90-L124 HydrophobicContact CG-CG 3.75Å; C93-L124 WeakPolarHBondContact SG-CD2 3.46Å; V96-L124 HydrophobicContact CG2-CD1 4.26Å; V96-L124 HydrophobicContact CG2-CD2 4Å; V118-L124 HydrophobicContact CB-CD1 4.49Å; V118-L124 HydrophobicContact CG1-CD1 3.52Å; V118-L124 VanDerWaalsContact O-CD1 3.31Å; V118-L124 WeakPolarHBondContact O-CD1 3.4Å; S121-L124 PolarHBondContact O-N 2.98Å; E122-L124 PolarHBondContact O-N 3.34Å; L124-G126 PolarHBondContact O-N 3.16Å; L124-V127 HydrophobicContact CD2-CB 4.44Å; L124-V127 HydrophobicContact CD2-CG1 4.41Å; L124-V127 HydrophobicContact CD2-CG2 4.33Å; L124-V127 PolarHBondContact O-N 3.5Å; L124-R161 PolarHBondContact O-NE 2.83Å; L124-R161 PolarHBondContact O-NH2 2.79Å; L124-R161 VanDerWaalsContact O-NH2 3.08Å
125C93.2Very high97Very high95 Ų9533.7 Ų33.764%0.64219%0.19SC*.THydrogen-bonded Turntrans-60128.7173.4-170.40000110.4E122 V127E122-C125 WeakPolarHBondContact O-CB 3.43Å; E122-C125 PolarHBondContact O-N 2.97Å; C125-V127 PolarHBondContact O-N 3.32Å; C125-V127 VanDerWaalsContact O-N 3.12Å
126G94.1Very high97Very high38 Ų3836 Ų3639%0.39220%0.201SC..THydrogen-bonded Turntrans70.3-2.1-179.200000116.1L124 N190L124-G126 PolarHBondContact O-N 3.16Å; G126-N190 PolarHBondContact O-ND2 3.12Å
127V97.6Very high97Very high0 Ų036.3 Ų36.30%020%0.204CC..  trans-75.5129.6176.4175.30000109.7V96 L124 C125 R161V96-V127 HydrophobicContact CG2-CG1 4.1Å; L124-V127 HydrophobicContact CD2-CB 4.44Å; L124-V127 HydrophobicContact CD2-CG1 4.41Å; L124-V127 HydrophobicContact CD2-CG2 4.33Å; L124-V127 PolarHBondContact O-N 3.5Å; C125-V127 PolarHBondContact O-N 3.32Å; C125-V127 VanDerWaalsContact O-N 3.12Å; V127-R161 VanDerWaalsContact O-CD 3.27Å; V127-R161 WeakPolarHBondContact O-CD 3.36Å
128P98.4Very high97.1Very high1 Ų132.6 Ų32.61%0.00619%0.193CC..  trans-64.8141.5177.726-35.7000112.6H94 V96 D162 W182 M183 C186 V187H94-P128 VanDerWaalsContact O-CD 3.24Å; H94-P128 WeakPolarHBondContact O-CD 3.16Å; H94-P128 WeakPolarHBondContact O-CG 3.39Å; V96-P128 PolarHBondContact N-O 3.47Å; P128-D162 CarbonylContact C-O 3.6Å; P128-D162 VanDerWaalsContact CA-O 3.32Å; P128-D162 WeakPolarHBondContact CA-O 3.43Å; P128-D162 HydrophobicContact CB-CB 3.95Å; P128-W182 HydrophobicContact CB-CH2 4.38Å; P128-M183 HydrophobicContact CB-SD 4.44Å; P128-M183 HydrophobicContact CG-SD 4.11Å; P128-C186 HydrophobicContact CB-CB 3.54Å; P128-C186 HydrophobicContact CG-CB 3.8Å; P128-V187 HydrophobicContact CG-CG1 3.93Å
129V98.7Very high96.9Very high4 Ų442 Ų422%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-123118.5-178.5-179.30000110.7V96 F115 V131 D162 C163 L164 W182V96-V129 HydrophobicContact CB-CG2 4.3Å; V96-V129 CarbonylContact O-C 3.51Å; V96-V129 WeakPolarHBondContact O-CA 3.14Å; F115-V129 HydrophobicContact CE2-CG1 3.93Å; F115-V129 HydrophobicContact CZ-CG1 4.38Å; V129-V131 HydrophobicContact CG1-CG2 4.07Å; V129-D162 PolarHBondContact N-O 3.15Å; V129-C163 VanDerWaalsContact O-CA 3.26Å; V129-C163 WeakPolarHBondContact O-CA 3.41Å; V129-L164 PolarHBondContact O-N 3.34Å; V129-L164 VanDerWaalsContact O-N 3.07Å; V129-W182 WeakPolarHBondContact O-CH2 3.31Å
130L98.8Very high96.8Very high0 Ų047.7 Ų47.70%027%0.272CS..EExtended strand (participates in β ladder)trans-98.6115.1169.5179.163.4000109.2V96 I97 Y98 L132 L164 Q166 G179 W182 M183V96-L130 PolarHBondContact O-N 2.93Å; I97-L130 CarbonylContact C-O 3.59Å; I97-L130 VanDerWaalsContact CA-O 3.31Å; I97-L130 WeakPolarHBondContact CA-O 3.41Å; I97-L130 HydrophobicContact CD1-CD2 4.36Å; I97-L130 HydrophobicContact CG1-CB 4.25Å; I97-L130 HydrophobicContact CG1-CD2 4.22Å; I97-L130 HydrophobicContact CG2-CD2 4.45Å; Y98-L130 PolarHBondContact N-O 2.95Å; L130-L132 HydrophobicContact CD1-CD2 4.21Å; L130-L132 HydrophobicContact CD2-CD2 3.88Å; L130-L132 HydrophobicContact CD2-CG 4.29Å; L130-L132 HydrophobicContact CG-CD2 3.85Å; L130-L132 HydrophobicContact CG-CG 4.17Å; L130-L164 CarbonylContact C-O 3.52Å; L130-L164 HydrophobicContact CD1-CB 4.06Å; L130-L164 HydrophobicContact CD1-CD2 3.92Å; L130-L164 HydrophobicContact CD1-CG 4.04Å; L130-Q166 HydrophobicContact CD1-CG 4.07Å; L130-G179 WeakPolarHBondContact CD2-O 3.35Å; L130-W182 HydrophobicContact CB-CE3 3.96Å; L130-W182 HydrophobicContact CB-CZ3 3.66Å; L130-W182 HydrophobicContact CD1-CD2 4.49Å; L130-W182 HydrophobicContact CD1-CE3 3.88Å; L130-W182 HydrophobicContact CD1-CZ3 4.21Å; L130-W182 HydrophobicContact CG-CE3 4.36Å; L130-W182 HydrophobicContact CG-CZ3 4.49Å; L130-M183 HydrophobicContact CB-CE 3.7Å
131V98.7Very high96.9Very high5 Ų545.7 Ų45.73%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-94.3117172.7-175.70000109.1Y98 I100 F115 V129 L164 T165 Q166Y98-V131 CarbonylContact O-C 3.54Å; Y98-V131 WeakPolarHBondContact O-CA 3.26Å; I100-V131 HydrophobicContact CD1-CG1 3.46Å; I100-V131 VanDerWaalsContact CD1-CG1 3.46Å; I100-V131 HydrophobicContact CG1-CG1 4.18Å; F115-V131 HydrophobicContact CE2-CG2 3.74Å; F115-V131 HydrophobicContact CZ-CG2 3.8Å; V129-V131 HydrophobicContact CG1-CG2 4.07Å; V131-L164 PolarHBondContact N-O 3.32Å; V131-T165 HydrophobicContact CB-CG2 4.16Å; V131-T165 HydrophobicContact CG1-CG2 4.09Å; V131-T165 WeakPolarHBondContact O-CA 3.22Å; V131-Q166 PolarHBondContact O-N 2.92Å
132L98.8Very high96.9Very high1 Ų145.4 Ų45.41%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-100.7111.4176.5-63.1-179.7000109.7F33 I97 Y98 V99 I100 L130 N134 Q166 C168F33-L132 HydrophobicContact CD1-CD1 4.32Å; F33-L132 HydrophobicContact CD2-CD1 3.47Å; F33-L132 VanDerWaalsContact CD2-CD1 3.47Å; F33-L132 HydrophobicContact CE1-CD1 4.17Å; F33-L132 HydrophobicContact CE2-CD1 3.25Å; F33-L132 HydrophobicContact CG-CD1 4.01Å; F33-L132 HydrophobicContact CZ-CD1 3.65Å; I97-L132 HydrophobicContact CG2-CD1 3.51Å; I97-L132 HydrophobicContact CG2-CG 3.92Å; Y98-L132 PolarHBondContact O-N 3.18Å; V99-L132 HydrophobicContact CG2-CD1 4.38Å; I100-L132 PolarHBondContact N-O 3.46Å; L130-L132 HydrophobicContact CD1-CD2 4.21Å; L130-L132 HydrophobicContact CD2-CD2 3.88Å; L130-L132 HydrophobicContact CD2-CG 4.29Å; L130-L132 HydrophobicContact CG-CD2 3.85Å; L130-L132 HydrophobicContact CG-CG 4.17Å; L132-N134 PolarHBondContact O-N 3.11Å; L132-N134 VanDerWaalsContact O-N 3.14Å; L132-Q166 HydrophobicContact CD2-CG 3.69Å; L132-C168 HydrophobicContact CB-CB 4.26Å; L132-C168 HydrophobicContact CD2-CB 4.11Å
133A98.7Very high97Very high0 Ų039 Ų390%023%0.231CC..EExtended strand (participates in β ladder)trans-75.595.216200000107.9S102 Q136 I144 I147 Q166 C168S102-A133 VanDerWaalsContact OG-C 3.28Å; A133-Q136 WeakPolarHBondContact O-CG 3.21Å; A133-I144 HydrophobicContact CB-CD1 3.17Å; A133-I147 HydrophobicContact CB-CD1 3.34Å; A133-Q166 PolarHBondContact N-O 2.92Å; A133-C168 PolarHBondContact O-N 3.23Å
134N98.8Very high97Very high4 Ų438.8 Ų38.82%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-91.3166-172.1-168.535.6000112.2A28 V99 I100 S102 L132 C168 A170A28-N134 PolarHBondContact O-ND2 3.1Å; V99-N134 HydrophobicContact CG1-CB 3.64Å; I100-N134 WeakPolarHBondContact O-CA 3.47Å; I100-N134 WeakPolarHBondContact O-CB 3.34Å; I100-N134 PolarHBondContact O-N 3.28Å; S102-N134 WeakPolarHBondContact CB-O 3.44Å; S102-N134 PolarHBondContact N-O 3.06Å; S102-N134 PolarHBondContact OG-N 3.23Å; S102-N134 PolarHBondContact OG-O 3.42Å; L132-N134 PolarHBondContact O-N 3.11Å; L132-N134 VanDerWaalsContact O-N 3.14Å; N134-C168 CarbonylContact C-O 3.43Å; N134-C168 VanDerWaalsContact CA-O 3.28Å; N134-C168 WeakPolarHBondContact CA-O 3.41Å; N134-C168 PolarHBondContact OD1-O 2.95Å; N134-A170 WeakPolarHBondContact OD1-CB 3.47Å; N134-A170 PolarHBondContact OD1-N 2.58Å
135K98.4Very high97.1Very high37 Ų3742.6 Ų42.616%0.16125%0.249CC..  trans67.733.3-178.3-49-166.8-169.1172.80114.1N27 D101 T103 D137 V138 C168N27-K135 PolarHBondContact ND2-NZ 3.45Å; N27-K135 WeakPolarHBondContact O-CE 3.41Å; N27-K135 PolarHBondContact O-NZ 3.1Å; D101-K135 WeakPolarHBondContact OD1-CD 2.94Å; D101-K135 IonicContact OD1-NZ 2.78Å; D101-K135 WeakPolarHBondContact OD2-CE 3.45Å; D101-K135 IonicContact OD2-NZ 3.11Å; D101-K135 PolarHBondContact OD2-NZ 3.05Å; T103-K135 HydrophobicContact CG2-CB 3.91Å; T103-K135 HydrophobicContact CG2-CD 4.48Å; K135-D137 WeakPolarHBondContact CA-OD1 3.36Å; K135-D137 PolarHBondContact O-N 3.48Å; K135-D137 VanDerWaalsContact O-N 3.09Å; K135-V138 HydrophobicContact CB-CG2 4.47Å; K135-V138 PolarHBondContact O-N 3.46Å; K135-V138 VanDerWaalsContact O-N 3.13Å; K135-C168 PolarHBondContact N-O 2.71Å
136Q98.1Very high97.2Very high54 Ų5441.8 Ų41.825%0.25224%0.239SC..THydrogen-bonded Turntrans-71.83.9176.3-63-78.5-51.900113.6S102 A133 L142 A167 C168S102-Q136 VanDerWaalsContact CB-NE2 3.29Å; S102-Q136 PolarHBondContact OG-NE2 3.25Å; A133-Q136 WeakPolarHBondContact O-CG 3.21Å; Q136-L142 PolarHBondContact NE2-O 3.12Å; Q136-A167 HydrophobicContact CG-CB 3.96Å; Q136-C168 WeakPolarHBondContact CB-O 3.34Å; Q136-C168 VanDerWaalsContact CG-O 3.31Å; Q136-C168 WeakPolarHBondContact CG-O 3.31Å; Q136-C168 PolarHBondContact N-O 3.45Å
137D97.6Very high97.4Very high65 Ų6540.1 Ų40.135%0.34822%0.221SC..THydrogen-bonded Turntrans-84.1-9.6168.351.1-74.3000113.5K135 S169 L171 T172K135-D137 WeakPolarHBondContact CA-OD1 3.36Å; K135-D137 PolarHBondContact O-N 3.48Å; K135-D137 VanDerWaalsContact O-N 3.09Å; D137-S169 WeakPolarHBondContact OD1-CB 3.39Å; D137-S169 PolarHBondContact OD1-OG 3.21Å; D137-L171 WeakPolarHBondContact OD2-CD2 3.44Å; D137-T172 HydrophobicContact CB-CG2 4.14Å
138V97.6Very high97.3Very high55 Ų5545.6 Ų45.633%0.33325%0.245SC..SBendtrans-95131.8178.2-178.80000110T103 K135 T140 C141T103-V138 HydrophobicContact CG2-CB 3.57Å; T103-V138 HydrophobicContact CG2-CG1 3.73Å; T103-V138 HydrophobicContact CG2-CG2 3.89Å; K135-V138 HydrophobicContact CB-CG2 4.47Å; K135-V138 PolarHBondContact O-N 3.46Å; K135-V138 VanDerWaalsContact O-N 3.13Å; V138-T140 VanDerWaalsContact C-N 3.31Å; V138-T140 PolarHBondContact O-N 3.46Å; V138-C141 VanDerWaalsContact O-CB 3.29Å; V138-C141 WeakPolarHBondContact O-CB 3.28Å; V138-C141 PolarHBondContact O-N 2.83Å; V138-C141 PolarHBondContact O-SG 2.84Å
139E93.3Very high97.2Very high199 Ų19950.2 Ų50.293%0.9327%0.273SS*.THydrogen-bonded Turntrans-63-34.5-175.1-65.7-177.5173.100113.6C141E139-C141 PolarHBondContact O-N 3.14Å
140T93.6Very high97Very high121 Ų12151.5 Ų51.574%0.74228%0.284SS*.THydrogen-bonded Turntrans-85.314.4-179.662.30000113.4V138V138-T140 VanDerWaalsContact C-N 3.31Å; V138-T140 PolarHBondContact O-N 3.46Å
141C97.2Very high96.9Very high31 Ų3152.2 Ų52.221%0.20929%0.287CS..PPolyproline II helixtrans-73.9147.2-178.972.30000112.5S102 T103 V138 E139S102-C141 CarbonylContact O-C 3.51Å; S102-C141 WeakPolarHBondContact O-CA 3.5Å; T103-C141 HydrophobicContact CG2-CB 3.96Å; V138-C141 VanDerWaalsContact O-CB 3.29Å; V138-C141 WeakPolarHBondContact O-CB 3.28Å; V138-C141 PolarHBondContact O-N 2.83Å; V138-C141 PolarHBondContact O-SG 2.84Å; E139-C141 PolarHBondContact O-N 3.14Å
142L97.6Very high96.6Very high24 Ų2454.7 Ų54.713%0.12631%0.305CS..PPolyproline II helixtrans-63.3140.1170-65.5171000110.6S102 E105 L108 Q136 D146 I147S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 WeakPolarHBondContact O-CG 3.28Å; S102-L142 PolarHBondContact O-N 2.85Å; E105-L142 HydrophobicContact CB-CD1 4.42Å; L108-L142 HydrophobicContact CD1-CD1 4.15Å; L108-L142 HydrophobicContact CD2-CD1 3.73Å; L108-L142 HydrophobicContact CG-CD1 4.48Å; Q136-L142 PolarHBondContact NE2-O 3.12Å; L142-D146 HydrophobicContact CB-CB 4.35Å; L142-D146 HydrophobicContact CD2-CB 4.26Å; L142-I147 HydrophobicContact CB-CD1 4.35Å; L142-I147 HydrophobicContact CB-CG1 4.1Å
143S96Very high96.3Very high44 Ų4459.2 Ų59.231%0.30833%0.329SS..PPolyproline II helixtrans-77.4163.6176.277.70000111.3P145 D146 I147S143-P145 WeakPolarHBondContact OG-CD 2.94Å; S143-D146 VanDerWaalsContact CB-OD2 3.3Å; S143-D146 WeakPolarHBondContact CB-OD2 3.36Å; S143-D146 PolarHBondContact N-OD2 3.36Å; S143-D146 PolarHBondContact O-N 3.37Å; S143-D146 VanDerWaalsContact O-N 3.13Å; S143-D146 PolarHBondContact OG-N 3.44Å; S143-D146 PolarHBondContact OG-OD2 2.63Å; S143-I147 PolarHBondContact O-N 3.37Å; S143-I147 VanDerWaalsContact O-N 3.07Å
144I96.3Very high96Very high33 Ų3359.2 Ų59.217%0.16933%0.329CS..Hα-helixtrans-58.8-42.9174.5-51.8-57.1000112.2A133 D146 I147 K148 T165 A167A133-I144 HydrophobicContact CB-CD1 3.17Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 2.92Å; I144-I147 PolarHBondContact O-N 2.94Å; I144-K148 HydrophobicContact CG2-CD 4.23Å; I144-K148 HydrophobicContact CG2-CG 4.37Å; I144-K148 WeakPolarHBondContact O-CB 3.15Å; I144-K148 WeakPolarHBondContact O-CG 3.18Å; I144-K148 PolarHBondContact O-N 2.84Å; I144-T165 HydrophobicContact CG2-CG2 4.1Å; I144-A167 HydrophobicContact CD1-CB 3.89Å; I144-A167 HydrophobicContact CG1-CB 4.16Å
145P96.7Very high95.5Very high83 Ų8363.4 Ų63.454%0.53936%0.355SS..Hα-helixtrans-54.1-43.2170.2-29.335.9000114.4S143 K148 T149S143-P145 WeakPolarHBondContact OG-CD 2.94Å; P145-K148 PolarHBondContact O-N 2.8Å; P145-T149 WeakPolarHBondContact O-CB 3.4Å; P145-T149 PolarHBondContact O-N 3.41Å; P145-T149 PolarHBondContact O-OG1 3.18Å
146D96.6Very high95Very high79 Ų7966.5 Ų66.542%0.42238%0.381SS..Hα-helixtrans-65-46-178.9-56.4-38.4000110.8L142 S143 I144 K148 T149 A150L142-D146 HydrophobicContact CB-CB 4.35Å; L142-D146 HydrophobicContact CD2-CB 4.26Å; S143-D146 VanDerWaalsContact CB-OD2 3.3Å; S143-D146 WeakPolarHBondContact CB-OD2 3.36Å; S143-D146 PolarHBondContact N-OD2 3.36Å; S143-D146 PolarHBondContact O-N 3.37Å; S143-D146 VanDerWaalsContact O-N 3.13Å; S143-D146 PolarHBondContact OG-N 3.44Å; S143-D146 PolarHBondContact OG-OD2 2.63Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 2.92Å; D146-K148 PolarHBondContact O-N 2.96Å; D146-T149 WeakPolarHBondContact O-CB 3.48Å; D146-T149 PolarHBondContact O-N 3.09Å; D146-T149 VanDerWaalsContact O-N 3.15Å; D146-A150 PolarHBondContact O-N 3.14Å
147I97.2Very high94.7Very high2 Ų267.3 Ų67.31%0.0138%0.384CS..Hα-helixtrans-61.8-44.5176-68.1168.8000110.9I100 A133 L142 S143 I144 T149 A150 F151I100-I147 HydrophobicContact CD1-CG2 3.62Å; I100-I147 HydrophobicContact CG2-CD1 4.28Å; A133-I147 HydrophobicContact CB-CD1 3.34Å; L142-I147 HydrophobicContact CB-CD1 4.35Å; L142-I147 HydrophobicContact CB-CG1 4.1Å; S143-I147 PolarHBondContact O-N 3.37Å; S143-I147 VanDerWaalsContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 2.94Å; I147-T149 VanDerWaalsContact C-N 3.26Å; I147-T149 PolarHBondContact O-N 3.17Å; I147-A150 PolarHBondContact O-N 3.46Å; I147-F151 HydrophobicContact CG2-CD2 4.14Å; I147-F151 HydrophobicContact CG2-CE2 4.37Å; I147-F151 WeakPolarHBondContact O-CB 3.33Å; I147-F151 VanDerWaalsContact O-CD2 3.22Å; I147-F151 WeakPolarHBondContact O-CD2 3.38Å; I147-F151 PolarHBondContact O-N 2.83Å
148K95.8Very high94.3Very high115 Ų11565.5 Ų65.550%0.537%0.374SS..Hα-helixtrans-61.2-37175.9-77.8-178175.5-175.70112.2I144 P145 D146 F151 S152 T165I144-K148 HydrophobicContact CG2-CD 4.23Å; I144-K148 HydrophobicContact CG2-CG 4.37Å; I144-K148 WeakPolarHBondContact O-CB 3.15Å; I144-K148 WeakPolarHBondContact O-CG 3.18Å; I144-K148 PolarHBondContact O-N 2.84Å; P145-K148 PolarHBondContact O-N 2.8Å; D146-K148 PolarHBondContact O-N 2.96Å; K148-F151 CarbonylContact O-C 3.59Å; K148-S152 WeakPolarHBondContact O-CA 3.45Å; K148-S152 PolarHBondContact O-N 3.1Å; K148-T165 HydrophobicContact CG-CG2 4.42Å
149T96.2Very high93.7Very high98 Ų9865.6 Ų65.660%0.60139%0.386SS*.Hα-helixtrans-67-47.3177.4-58.30000110.6P145 D146 I147 F151 S152P145-T149 WeakPolarHBondContact O-CB 3.4Å; P145-T149 PolarHBondContact O-N 3.41Å; P145-T149 PolarHBondContact O-OG1 3.18Å; D146-T149 WeakPolarHBondContact O-CB 3.48Å; D146-T149 PolarHBondContact O-N 3.09Å; D146-T149 VanDerWaalsContact O-N 3.15Å; I147-T149 VanDerWaalsContact C-N 3.26Å; I147-T149 PolarHBondContact O-N 3.17Å; T149-F151 VanDerWaalsContact C-N 3.28Å; T149-F151 PolarHBondContact O-N 2.56Å; T149-S152 VanDerWaalsContact O-CB 3.25Å; T149-S152 WeakPolarHBondContact O-CB 3.43Å; T149-S152 PolarHBondContact O-N 2.87Å; T149-S152 PolarHBondContact O-OG 2.95Å
150A95.5Very high93.3Very high32 Ų3268.7 Ų68.726%0.26439%0.389SS..Hα-helixtrans-61.1-36.1177.700000112.9L108 K112 D146 I147L108-A150 HydrophobicContact CD2-CB 3.6Å; L108-A150 HydrophobicContact CG-CB 4.3Å; K112-A150 WeakPolarHBondContact CD-O 3.43Å; K112-A150 WeakPolarHBondContact CE-O 3.45Å; K112-A150 PolarHBondContact NZ-O 3.09Å; D146-A150 PolarHBondContact O-N 3.14Å; I147-A150 PolarHBondContact O-N 3.46Å
151F96.4Very high93.4Very high14 Ų1464.5 Ų64.56%0.06136%0.359CS..THydrogen-bonded Turntrans-95.210.1-178.8-73.4-115000113.3I100 L108 K112 F115 I147 K148 T149 D153 C154I100-F151 HydrophobicContact CD1-CD1 4.31Å; I100-F151 HydrophobicContact CD1-CD2 4.38Å; I100-F151 HydrophobicContact CD1-CE1 3.74Å; I100-F151 HydrophobicContact CD1-CE2 3.86Å; I100-F151 HydrophobicContact CD1-CZ 3.5Å; I100-F151 HydrophobicContact CG1-CE1 4.46Å; I100-F151 HydrophobicContact CG1-CZ 4.09Å; L108-F151 HydrophobicContact CD1-CE2 3.76Å; L108-F151 HydrophobicContact CD1-CZ 4.46Å; L108-F151 HydrophobicContact CG-CE2 4.13Å; K112-F151 HydrophobicContact CB-CD1 4.38Å; K112-F151 HydrophobicContact CB-CE1 4.03Å; K112-F151 HydrophobicContact CB-CE2 4.23Å; K112-F151 HydrophobicContact CB-CZ 3.93Å; K112-F151 HydrophobicContact CG-CD1 4.37Å; K112-F151 HydrophobicContact CG-CE1 4.49Å; F115-F151 HydrophobicContact CB-CD1 4.26Å; F115-F151 HydrophobicContact CB-CE1 3.73Å; F115-F151 AromaticContact CD1-CD1 3.6Å; F115-F151 HydrophobicContact CD1-CD1 3.6Å; F115-F151 AromaticContact CD1-CE1 3.97Å; F115-F151 HydrophobicContact CD1-CE1 3.97Å; F115-F151 HydrophobicContact CE1-CD1 4.19Å; F115-F151 HydrophobicContact CG-CD1 4.09Å; F115-F151 AromaticContact CG-CE1 3.97Å; F115-F151 HydrophobicContact CG-CE1 3.97Å; I147-F151 HydrophobicContact CG2-CD2 4.14Å; I147-F151 HydrophobicContact CG2-CE2 4.37Å; I147-F151 WeakPolarHBondContact O-CB 3.33Å; I147-F151 VanDerWaalsContact O-CD2 3.22Å; I147-F151 WeakPolarHBondContact O-CD2 3.38Å; I147-F151 PolarHBondContact O-N 2.83Å; K148-F151 CarbonylContact O-C 3.59Å; T149-F151 VanDerWaalsContact C-N 3.28Å; T149-F151 PolarHBondContact O-N 2.56Å; F151-D153 VanDerWaalsContact C-N 3.3Å; F151-D153 PolarHBondContact O-N 2.76Å; F151-C154 VanDerWaalsContact O-CB 3.31Å; F151-C154 WeakPolarHBondContact O-CB 3.42Å; F151-C154 PolarHBondContact O-N 3.16Å
152S93Very high93.3Very high57 Ų5766 Ų6640%0.39937%0.365SS..G310 helixtrans-56.9-39.4-174.554.40000113.2K148 T149 C154 T155K148-S152 WeakPolarHBondContact O-CA 3.45Å; K148-S152 PolarHBondContact O-N 3.1Å; T149-S152 VanDerWaalsContact O-CB 3.25Å; T149-S152 WeakPolarHBondContact O-CB 3.43Å; T149-S152 PolarHBondContact O-N 2.87Å; T149-S152 PolarHBondContact O-OG 2.95Å; S152-C154 PolarHBondContact O-N 2.9Å; S152-T155 WeakPolarHBondContact O-CB 3.47Å; S152-T155 PolarHBondContact O-N 3.42Å; S152-T155 PolarHBondContact O-OG1 3.4Å
153D91.6Very high93.3Very high97 Ų9767 Ų6752%0.51937%0.374SS..G310 helixtrans-62.9-22.6176.3-57.4-36.7000114K112 F151 T155 S156K112-D153 IonicContact NZ-OD2 3.12Å; K112-D153 PolarHBondContact NZ-OD2 2.91Å; F151-D153 VanDerWaalsContact C-N 3.3Å; F151-D153 PolarHBondContact O-N 2.76Å; D153-T155 VanDerWaalsContact C-N 3.29Å; D153-S156 PolarHBondContact O-OG 2.82Å
154C93Very high93.3Very high0 Ų067.5 Ų67.50%037%0.373CS..G310 helixtrans-78.8-15.3175.8-55.20000111.7F115 F151 S152 S156 K157 I158F115-C154 HydrophobicContact CD1-CB 3.96Å; F115-C154 HydrophobicContact CE1-CB 3.86Å; F151-C154 VanDerWaalsContact O-CB 3.31Å; F151-C154 WeakPolarHBondContact O-CB 3.42Å; F151-C154 PolarHBondContact O-N 3.16Å; S152-C154 PolarHBondContact O-N 2.9Å; C154-S156 VanDerWaalsContact C-N 3.35Å; C154-S156 PolarHBondContact O-N 3.24Å; C154-K157 CarbonylContact O-C 3.54Å; C154-K157 WeakPolarHBondContact O-CA 3.44Å; C154-K157 WeakPolarHBondContact O-CB 3.37Å; C154-K157 PolarHBondContact O-N 2.59Å; C154-I158 WeakPolarHBondContact O-CG1 3.25Å; C154-I158 PolarHBondContact O-N 3.05Å
155T88.6Confident93.4Very high92 Ų9267.6 Ų67.656%0.56438%0.375SS*.Hα-helixtrans-59.2-43-175.2-53.40000112.3S152 D153 K157 I158S152-T155 WeakPolarHBondContact O-CB 3.47Å; S152-T155 PolarHBondContact O-N 3.42Å; S152-T155 PolarHBondContact O-OG1 3.4Å; D153-T155 VanDerWaalsContact C-N 3.29Å; T155-K157 VanDerWaalsContact C-N 3.26Å; T155-K157 PolarHBondContact O-N 2.94Å; T155-I158 PolarHBondContact O-N 3.33Å
156S87.7Confident93.4Very high101 Ų10165 Ų6571%0.70636%0.356SS*.Hα-helixtrans-66.5-30.3176.257.80000112.4D153 C154D153-S156 PolarHBondContact O-OG 2.82Å; C154-S156 VanDerWaalsContact C-N 3.35Å; C154-S156 PolarHBondContact O-N 3.24Å
157K90.4Very high93.5Very high72 Ų7263.2 Ų63.231%0.31335%0.352SS..Hα-helixtrans-80-18.5-179.8-56.6175.6-170.9173.40112.8E116 V119 T120 C154 T155 G159 R161E116-K157 HydrophobicContact CG-CD 3.81Å; E116-K157 IonicContact OE1-NZ 3.94Å; E116-K157 PolarHBondContact OE1-NZ 2.74Å; E116-K157 IonicContact OE2-NZ 2.74Å; E116-K157 PolarHBondContact OE2-NZ 3.21Å; V119-K157 HydrophobicContact CG2-CB 4.1Å; T120-K157 HydrophobicContact CG2-CB 3.95Å; T120-K157 HydrophobicContact CG2-CD 3.8Å; T120-K157 HydrophobicContact CG2-CG 4.13Å; C154-K157 CarbonylContact O-C 3.54Å; C154-K157 WeakPolarHBondContact O-CA 3.44Å; C154-K157 WeakPolarHBondContact O-CB 3.37Å; C154-K157 PolarHBondContact O-N 2.59Å; T155-K157 VanDerWaalsContact C-N 3.26Å; T155-K157 PolarHBondContact O-N 2.94Å; K157-G159 PolarHBondContact O-N 3.19Å; K157-R161 PolarHBondContact O-NH1 3.16Å
158I89Confident93.6Very high27 Ų2763.2 Ų63.214%0.13835%0.352CS..Hα-helixtrans-64.7-31.6174-69.1167.3000110.5F115 V119 C154 T155 R161 C163F115-I158 HydrophobicContact CZ-CD1 4.5Å; V119-I158 HydrophobicContact CG1-CG1 4.36Å; C154-I158 WeakPolarHBondContact O-CG1 3.25Å; C154-I158 PolarHBondContact O-N 3.05Å; T155-I158 PolarHBondContact O-N 3.33Å; I158-R161 HydrophobicContact CG2-CG 3.76Å; I158-R161 WeakPolarHBondContact O-CD 3.42Å; I158-R161 VanDerWaalsContact O-CG 3.24Å; I158-R161 WeakPolarHBondContact O-CG 3.37Å; I158-R161 VanDerWaalsContact O-CZ 3.25Å; I158-R161 PolarHBondContact O-NE 3Å; I158-R161 PolarHBondContact O-NH1 3.32Å; I158-C163 HydrophobicContact CG2-CB 3.66Å
159G86.2Confident93.7Very high56 Ų5657.9 Ų57.958%0.57733%0.33SS*.THydrogen-bonded Turntrans66-149.2178.800000112.9K157 R161K157-G159 PolarHBondContact O-N 3.19Å; G159-R161 PolarHBondContact O-N 3.36Å
160R85.6Confident93.8Very high265 Ų26553.3 Ų53.3100%130%0.301SS*.THydrogen-bonded Turntrans-88.29.8-175.4-65.9-174.5178.6177-0.1114.8
161R93.9Very high93.8Very high32 Ų3256.6 Ų56.612%0.12131%0.314CS..SBendtrans-74.8154.2179.872.5-172.250.3119.2-15.8111.1V119 L124 V127 K157 I158 G159 C163V119-R161 VanDerWaalsContact O-CZ 3.32Å; V119-R161 PolarHBondContact O-NH1 3.45Å; V119-R161 PolarHBondContact O-NH2 3.39Å; L124-R161 PolarHBondContact O-NE 2.83Å; L124-R161 PolarHBondContact O-NH2 2.79Å; L124-R161 VanDerWaalsContact O-NH2 3.08Å; V127-R161 VanDerWaalsContact O-CD 3.27Å; V127-R161 WeakPolarHBondContact O-CD 3.36Å; K157-R161 PolarHBondContact O-NH1 3.16Å; I158-R161 HydrophobicContact CG2-CG 3.76Å; I158-R161 WeakPolarHBondContact O-CD 3.42Å; I158-R161 VanDerWaalsContact O-CG 3.24Å; I158-R161 WeakPolarHBondContact O-CG 3.37Å; I158-R161 VanDerWaalsContact O-CZ 3.25Å; I158-R161 PolarHBondContact O-NE 3Å; I158-R161 PolarHBondContact O-NH1 3.32Å; G159-R161 PolarHBondContact O-N 3.36Å; R161-C163 PolarHBondContact O-N 3.46Å
162D95.8Very high93.8Very high62 Ų6259.8 Ų59.833%0.33234%0.335SS..  trans-60.3125.8167.4-77.3-55.9000110P128 V129 W182 R189P128-D162 CarbonylContact C-O 3.6Å; P128-D162 VanDerWaalsContact CA-O 3.32Å; P128-D162 WeakPolarHBondContact CA-O 3.43Å; P128-D162 HydrophobicContact CB-CB 3.95Å; V129-D162 PolarHBondContact N-O 3.15Å; D162-W182 HydrophobicContact CB-CH2 4.3Å; D162-W182 HydrophobicContact CB-CZ2 4.15Å; D162-R189 IonicContact OD1-CZ 3.99Å; D162-R189 IonicContact OD1-NE 2.63Å; D162-R189 IonicContact OD1-NH2 3.14Å; D162-R189 PolarHBondContact OD1-NH2 2.89Å; D162-R189 IonicContact OD2-CZ 2.62Å; D162-R189 IonicContact OD2-NE 2.82Å; D162-R189 PolarHBondContact OD2-NE 3.36Å; D162-R189 IonicContact OD2-NH2 3.73Å; D162-R189 PolarHBondContact OD2-NH2 2.89Å
163C96.8Very high94Very high47 Ų4757.2 Ų57.232%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-138.9129.9175.7-171.10000111.1V129 I158 R161V129-C163 VanDerWaalsContact O-CA 3.26Å; V129-C163 WeakPolarHBondContact O-CA 3.41Å; I158-C163 HydrophobicContact CG2-CB 3.66Å; R161-C163 PolarHBondContact O-N 3.46Å
164L97.1Very high94.3Very high53 Ų5360.1 Ų60.128%0.27733%0.325SS..EExtended strand (participates in β ladder)trans-127.8130.9175.4174.264.8000110V129 L130 V131 W182V129-L164 PolarHBondContact O-N 3.34Å; V129-L164 VanDerWaalsContact O-N 3.07Å; L130-L164 CarbonylContact C-O 3.52Å; L130-L164 HydrophobicContact CD1-CB 4.06Å; L130-L164 HydrophobicContact CD1-CD2 3.92Å; L130-L164 HydrophobicContact CD1-CG 4.04Å; V131-L164 PolarHBondContact N-O 3.32Å; L164-W182 HydrophobicContact CB-CD2 3.86Å; L164-W182 VanDerWaalsContact CB-CE2 3.41Å; L164-W182 HydrophobicContact CB-CE3 4.24Å; L164-W182 HydrophobicContact CB-CH2 3.85Å; L164-W182 HydrophobicContact CB-CZ2 3.4Å; L164-W182 HydrophobicContact CB-CZ3 4.25Å; L164-W182 HydrophobicContact CD2-CB 4.1Å; L164-W182 HydrophobicContact CD2-CD2 3.72Å; L164-W182 HydrophobicContact CD2-CE3 4.43Å; L164-W182 HydrophobicContact CD2-CG 3.52Å; L164-W182 HydrophobicContact CG-CD2 4.44Å
165T97.8Very high94.5Very high35 Ų3560.6 Ų60.622%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-106.9125.7167.7-48.60000109.4V131 I144 K148V131-T165 HydrophobicContact CB-CG2 4.16Å; V131-T165 HydrophobicContact CG1-CG2 4.09Å; V131-T165 WeakPolarHBondContact O-CA 3.22Å; I144-T165 HydrophobicContact CG2-CG2 4.1Å; K148-T165 HydrophobicContact CG-CG2 4.42Å
166Q98Very high95Very high30 Ų3056.2 Ų56.214%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-141.5157.717864.3166.37900113.5L130 V131 L132 A133 G175L130-Q166 HydrophobicContact CD1-CG 4.07Å; V131-Q166 PolarHBondContact O-N 2.92Å; L132-Q166 HydrophobicContact CD2-CG 3.69Å; A133-Q166 PolarHBondContact N-O 2.92Å; Q166-G175 PolarHBondContact NE2-O 3.05Å
167A98.3Very high95.5Very high41 Ų4156.6 Ų56.634%0.33929%0.289SS..EExtended strand (participates in β ladder)trans-68.1141.3169.200000111.2Q136 I144Q136-A167 HydrophobicContact CG-CB 3.96Å; I144-A167 HydrophobicContact CD1-CB 3.89Å; I144-A167 HydrophobicContact CG1-CB 4.16Å
168C98.6Very high95.8Very high2 Ų257 Ų571%0.01429%0.292CS..  trans-145.5146.9174-178.20000110.1L132 A133 N134 K135 Q136 K174L132-C168 HydrophobicContact CB-CB 4.26Å; L132-C168 HydrophobicContact CD2-CB 4.11Å; A133-C168 PolarHBondContact O-N 3.23Å; N134-C168 CarbonylContact C-O 3.43Å; N134-C168 VanDerWaalsContact CA-O 3.28Å; N134-C168 WeakPolarHBondContact CA-O 3.41Å; N134-C168 PolarHBondContact OD1-O 2.95Å; K135-C168 PolarHBondContact N-O 2.71Å; Q136-C168 WeakPolarHBondContact CB-O 3.34Å; Q136-C168 VanDerWaalsContact CG-O 3.31Å; Q136-C168 WeakPolarHBondContact CG-O 3.31Å; Q136-C168 PolarHBondContact N-O 3.45Å; C168-K174 WeakPolarHBondContact CA-O 3.45Å
169S98.5Very high96.3Very high3 Ų355.8 Ų55.82%0.02129%0.286CS..  trans-123.1105.3158.81650000105.9D137 L171 T172 G173 K174D137-S169 WeakPolarHBondContact OD1-CB 3.39Å; D137-S169 PolarHBondContact OD1-OG 3.21Å; S169-L171 PolarHBondContact O-N 3.19Å; S169-T172 WeakPolarHBondContact CB-OG1 3.44Å; S169-T172 PolarHBondContact OG-N 3.12Å; S169-T172 VanDerWaalsContact OG-N 3.1Å; S169-T172 PolarHBondContact OG-OG1 2.97Å; S169-G173 CarbonylContact O-C 3.39Å; S169-G173 WeakPolarHBondContact O-CA 3.34Å; S169-G173 PolarHBondContact O-N 3.11Å; S169-K174 PolarHBondContact N-O 2.8Å; S169-K174 PolarHBondContact O-N 3.13Å
170A98Very high96.9Very high1 Ų153.1 Ų53.11%0.00826%0.258CS..THydrogen-bonded Turntrans-66.4-20.7172.900000111.4T32 F33 Q36 N134T32-A170 HydrophobicContact CG2-CB 3.86Å; T32-A170 WeakPolarHBondContact CG2-O 3.3Å; F33-A170 HydrophobicContact CB-CB 4.06Å; Q36-A170 WeakPolarHBondContact CG-O 3.5Å; Q36-A170 PolarHBondContact NE2-O 2.92Å; N134-A170 WeakPolarHBondContact OD1-CB 3.47Å; N134-A170 PolarHBondContact OD1-N 2.58Å
171L96.3Very high97.5Very high102 Ų10243.5 Ų43.553%0.53423%0.225SC..THydrogen-bonded Turntrans-71.2-53177.1-174.561.7000111.6Q36 L50 D137 S169Q36-L171 PolarHBondContact NE2-O 3.44Å; L50-L171 HydrophobicContact CD1-CD1 4.17Å; D137-L171 WeakPolarHBondContact OD2-CD2 3.44Å; S169-L171 PolarHBondContact O-N 3.19Å
172T96.2Very high97.7Very high81 Ų8144.4 Ų44.450%0.49723%0.228SC..THydrogen-bonded Turntrans-81.6-23.7177.566.30000112.1R40 D137 S169 K174R40-T172 PolarHBondContact NH2-O 2.92Å; D137-T172 HydrophobicContact CB-CG2 4.14Å; S169-T172 WeakPolarHBondContact CB-OG1 3.44Å; S169-T172 PolarHBondContact OG-N 3.12Å; S169-T172 VanDerWaalsContact OG-N 3.1Å; S169-T172 PolarHBondContact OG-OG1 2.97Å; T172-K174 PolarHBondContact OG1-N 3.07Å
173G96.1Very high97.9Very high2 Ų241.4 Ų41.42%0.02121%0.212CC..  trans77.114.7-175.500000115.5R40 S169 G175 V176R40-G173 VanDerWaalsContact CZ-CA 3.42Å; R40-G173 PolarHBondContact NE-O 3.03Å; R40-G173 PolarHBondContact NH2-O 3.35Å; R40-G173 VanDerWaalsContact NH2-O 3.12Å; S169-G173 CarbonylContact O-C 3.39Å; S169-G173 WeakPolarHBondContact O-CA 3.34Å; S169-G173 PolarHBondContact O-N 3.11Å; G173-G175 PolarHBondContact O-N 2.91Å; G173-V176 WeakPolarHBondContact O-CB 3.48Å; G173-V176 WeakPolarHBondContact O-CG2 3.48Å; G173-V176 PolarHBondContact O-N 2.73Å
174K98Very high97.9Very high159 Ų15940 Ų4069%0.69120%0.202SC*.THydrogen-bonded Turntrans-57.9132.1167-176.7-178.3178-175.30110C168 S169 T172 V176C168-K174 WeakPolarHBondContact CA-O 3.45Å; S169-K174 PolarHBondContact N-O 2.8Å; S169-K174 PolarHBondContact O-N 3.13Å; T172-K174 PolarHBondContact OG1-N 3.07Å; K174-V176 VanDerWaalsContact C-N 3.26Å; K174-V176 PolarHBondContact O-N 2.67Å
175G98.1Very high98Very high10 Ų1044.5 Ų44.510%0.10322%0.219CC..THydrogen-bonded Turntrans83.1-12.2179.200000115Q166 G173 E178 G179Q166-G175 PolarHBondContact NE2-O 3.05Å; G173-G175 PolarHBondContact O-N 2.91Å; G175-E178 VanDerWaalsContact CA-OE2 3.22Å; G175-E178 WeakPolarHBondContact CA-OE2 3.29Å; G175-E178 PolarHBondContact N-OE2 2.83Å; G175-G179 PolarHBondContact O-N 3.33Å
176V98.3Very high98Very high0 Ų042.8 Ų42.80%021%0.209CC..Hα-helixtrans-63.4-49.1-177.9174.10000111.2F33 Q36 S37 G173 K174 G179 I180F33-V176 HydrophobicContact CD2-CG1 4.39Å; F33-V176 HydrophobicContact CD2-CG2 3.86Å; F33-V176 HydrophobicContact CE2-CB 4.12Å; F33-V176 HydrophobicContact CE2-CG1 3.95Å; F33-V176 HydrophobicContact CE2-CG2 3.89Å; F33-V176 HydrophobicContact CZ-CG1 4.33Å; Q36-V176 HydrophobicContact CB-CG1 4.26Å; Q36-V176 HydrophobicContact CB-CG2 4.12Å; S37-V176 WeakPolarHBondContact OG-CG1 3.41Å; G173-V176 WeakPolarHBondContact O-CB 3.48Å; G173-V176 WeakPolarHBondContact O-CG2 3.48Å; G173-V176 PolarHBondContact O-N 2.73Å; K174-V176 VanDerWaalsContact C-N 3.26Å; K174-V176 PolarHBondContact O-N 2.67Å; V176-G179 PolarHBondContact O-N 3.08Å; V176-I180 WeakPolarHBondContact O-CG1 3.32Å; V176-I180 PolarHBondContact O-N 2.77Å
177R97.9Very high98Very high109 Ų10941.5 Ų41.541%0.41120%0.203SC..Hα-helixtrans-64-46.4-177.6-176.6-175.363.491.94.1111F41 G179 I180 E181F41-R177 HydrophobicContact CE1-CG 4.33Å; F41-R177 HydrophobicContact CZ-CB 4.25Å; F41-R177 HydrophobicContact CZ-CG 3.76Å; R177-G179 VanDerWaalsContact C-N 3.34Å; R177-G179 PolarHBondContact O-N 2.99Å; R177-I180 PolarHBondContact O-N 3.35Å; R177-E181 WeakPolarHBondContact CD-OE1 3.47Å; R177-E181 HydrophobicContact CG-CG 4.36Å; R177-E181 VanDerWaalsContact CG-OE1 3.29Å; R177-E181 WeakPolarHBondContact CG-OE1 3.49Å; R177-E181 IonicContact CZ-OE1 2.88Å; R177-E181 IonicContact NE-OE1 2.62Å; R177-E181 IonicContact NH1-OE1 2.91Å; R177-E181 PolarHBondContact NH1-OE1 2.63Å; R177-E181 IonicContact NH1-OE2 2.71Å; R177-E181 PolarHBondContact NH1-OE2 3.21Å; R177-E181 WeakPolarHBondContact O-CB 3.1Å; R177-E181 WeakPolarHBondContact O-CG 3.34Å; R177-E181 PolarHBondContact O-N 2.94Å
178E98.4Very high97.9Very high81 Ų8143.2 Ų43.238%0.37921%0.209SC..Hα-helixtrans-60.4-43.9-179.5-64.970.9-155.700111.2G175 E181 W182G175-E178 VanDerWaalsContact CA-OE2 3.22Å; G175-E178 WeakPolarHBondContact CA-OE2 3.29Å; G175-E178 PolarHBondContact N-OE2 2.83Å; E178-E181 PolarHBondContact O-N 3.39Å; E178-W182 WeakPolarHBondContact O-CB 3.26Å; E178-W182 PolarHBondContact O-N 3.33Å
179G98.7Very high97.7Very high0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-64.3-44.4177.200000112.7L130 G175 V176 R177 W182 M183L130-G179 WeakPolarHBondContact CD2-O 3.35Å; G175-G179 PolarHBondContact O-N 3.33Å; V176-G179 PolarHBondContact O-N 3.08Å; R177-G179 VanDerWaalsContact C-N 3.34Å; R177-G179 PolarHBondContact O-N 2.99Å; G179-W182 PolarHBondContact O-N 3.13Å; G179-M183 PolarHBondContact O-N 3.19Å
180I98.7Very high97.6Very high0 Ų050.4 Ų50.40%024%0.237CC..Hα-helixtrans-64.7-45.1176.7-68.3-48000111.6F33 F41 V66 L71 F73 I97 V176 R177 W182 M183 V184F33-I180 HydrophobicContact CE1-CD1 3.82Å; F33-I180 HydrophobicContact CZ-CD1 3.7Å; F33-I180 HydrophobicContact CZ-CG1 4.09Å; F41-I180 HydrophobicContact CD2-CG2 4.27Å; F41-I180 HydrophobicContact CE1-CG2 4.34Å; F41-I180 HydrophobicContact CE2-CB 3.69Å; F41-I180 HydrophobicContact CE2-CG1 3.95Å; F41-I180 HydrophobicContact CE2-CG2 3.6Å; F41-I180 HydrophobicContact CZ-CB 3.84Å; F41-I180 HydrophobicContact CZ-CG2 3.62Å; V66-I180 HydrophobicContact CG2-CG2 3.72Å; L71-I180 HydrophobicContact CD1-CG2 3.97Å; F73-I180 HydrophobicContact CE1-CD1 3.79Å; F73-I180 HydrophobicContact CZ-CD1 3.48Å; F73-I180 VanDerWaalsContact CZ-CD1 3.48Å; F73-I180 HydrophobicContact CZ-CG1 4.48Å; I97-I180 HydrophobicContact CD1-CD1 3.96Å; V176-I180 WeakPolarHBondContact O-CG1 3.32Å; V176-I180 PolarHBondContact O-N 2.77Å; R177-I180 PolarHBondContact O-N 3.35Å; I180-W182 VanDerWaalsContact C-N 3.31Å; I180-W182 PolarHBondContact O-N 2.88Å; I180-M183 PolarHBondContact O-N 3.21Å; I180-V184 HydrophobicContact CG2-CG2 4.45Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.37Å
181E98.4Very high97.3Very high64 Ų6456 Ų5630%0.29927%0.271SS..Hα-helixtrans-62.2-38.6177.4-74.1174.2-173.300111.9R177 E178 K185R177-E181 WeakPolarHBondContact CD-OE1 3.47Å; R177-E181 HydrophobicContact CG-CG 4.36Å; R177-E181 VanDerWaalsContact CG-OE1 3.29Å; R177-E181 WeakPolarHBondContact CG-OE1 3.49Å; R177-E181 IonicContact CZ-OE1 2.88Å; R177-E181 IonicContact NE-OE1 2.62Å; R177-E181 IonicContact NH1-OE1 2.91Å; R177-E181 PolarHBondContact NH1-OE1 2.63Å; R177-E181 IonicContact NH1-OE2 2.71Å; R177-E181 PolarHBondContact NH1-OE2 3.21Å; R177-E181 WeakPolarHBondContact O-CB 3.1Å; R177-E181 WeakPolarHBondContact O-CG 3.34Å; R177-E181 PolarHBondContact O-N 2.94Å; E178-E181 PolarHBondContact O-N 3.39Å; E181-K185 WeakPolarHBondContact O-CG 3.4Å; E181-K185 PolarHBondContact O-N 2.77Å; E181-K185 VanDerWaalsContact O-N 3.14Å
182W98.6Very high97Very high50 Ų5059 Ų5919%0.18928%0.282CS..Hα-helixtrans-62.5-45.8172.6179.287.8000111.6P128 V129 L130 D162 L164 E178 G179 I180 V184 K185 C186P128-W182 HydrophobicContact CB-CH2 4.38Å; V129-W182 WeakPolarHBondContact O-CH2 3.31Å; L130-W182 HydrophobicContact CB-CE3 3.96Å; L130-W182 HydrophobicContact CB-CZ3 3.66Å; L130-W182 HydrophobicContact CD1-CD2 4.49Å; L130-W182 HydrophobicContact CD1-CE3 3.88Å; L130-W182 HydrophobicContact CD1-CZ3 4.21Å; L130-W182 HydrophobicContact CG-CE3 4.36Å; L130-W182 HydrophobicContact CG-CZ3 4.49Å; D162-W182 HydrophobicContact CB-CH2 4.3Å; D162-W182 HydrophobicContact CB-CZ2 4.15Å; L164-W182 HydrophobicContact CB-CD2 3.86Å; L164-W182 VanDerWaalsContact CB-CE2 3.41Å; L164-W182 HydrophobicContact CB-CE3 4.24Å; L164-W182 HydrophobicContact CB-CH2 3.85Å; L164-W182 HydrophobicContact CB-CZ2 3.4Å; L164-W182 HydrophobicContact CB-CZ3 4.25Å; L164-W182 HydrophobicContact CD2-CB 4.1Å; L164-W182 HydrophobicContact CD2-CD2 3.72Å; L164-W182 HydrophobicContact CD2-CE3 4.43Å; L164-W182 HydrophobicContact CD2-CG 3.52Å; L164-W182 HydrophobicContact CG-CD2 4.44Å; E178-W182 WeakPolarHBondContact O-CB 3.26Å; E178-W182 PolarHBondContact O-N 3.33Å; G179-W182 PolarHBondContact O-N 3.13Å; I180-W182 VanDerWaalsContact C-N 3.31Å; I180-W182 PolarHBondContact O-N 2.88Å; W182-V184 PolarHBondContact O-N 3.26Å; W182-K185 PolarHBondContact O-N 3.44Å; W182-C186 WeakPolarHBondContact CZ2-SG 3.46Å; W182-C186 PolarHBondContact O-N 3.11Å; W182-C186 PolarHBondContact O-SG 2.91Å
183M98.6Very high96.8Very high0 Ų058.4 Ų58.40%027%0.271CS..Hα-helixtrans-60-46178.3-176.457.275.300111.3I20 V96 I97 P128 L130 G179 I180 K185 C186 V187I20-M183 HydrophobicContact CD1-CG 3.8Å; I20-M183 HydrophobicContact CD1-SD 4.1Å; I20-M183 HydrophobicContact CG1-CG 4.36Å; I20-M183 HydrophobicContact CG2-CG 4.4Å; V96-M183 WeakPolarHBondContact O-CE 3.18Å; I97-M183 HydrophobicContact CG1-CE 3.81Å; P128-M183 HydrophobicContact CB-SD 4.44Å; P128-M183 HydrophobicContact CG-SD 4.11Å; L130-M183 HydrophobicContact CB-CE 3.7Å; G179-M183 PolarHBondContact O-N 3.19Å; I180-M183 PolarHBondContact O-N 3.21Å; M183-K185 VanDerWaalsContact C-N 3.33Å; M183-K185 PolarHBondContact O-N 2.71Å; M183-C186 PolarHBondContact O-N 3.04Å; M183-V187 HydrophobicContact CG-CG1 4.29Å; M183-V187 WeakPolarHBondContact O-CG1 3.41Å; M183-V187 PolarHBondContact O-N 3.38Å; M183-V187 HydrophobicContact SD-CG1 3.81Å
184V98.3Very high96.6Very high18 Ų1862.3 Ų62.311%0.10930%0.296CS..Hα-helixtrans-56.1-47.3176.4173.20000111.2V66 A69 L71 I180 W182 C186 V187 V188V66-V184 HydrophobicContact CB-CG2 3.8Å; V66-V184 HydrophobicContact CG1-CG2 3.97Å; V66-V184 HydrophobicContact CG2-CG2 4.01Å; A69-V184 HydrophobicContact CB-CG1 3.9Å; L71-V184 HydrophobicContact CD1-CG2 3.74Å; L71-V184 HydrophobicContact CD2-CG2 4.09Å; L71-V184 HydrophobicContact CG-CG2 4.03Å; I180-V184 HydrophobicContact CG2-CG2 4.45Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.37Å; W182-V184 PolarHBondContact O-N 3.26Å; V184-C186 VanDerWaalsContact C-N 3.25Å; V184-C186 PolarHBondContact O-N 3.33Å; V184-V187 PolarHBondContact O-N 3.35Å; V184-V188 HydrophobicContact CG1-CG2 4.12Å; V184-V188 WeakPolarHBondContact O-CB 3.26Å; V184-V188 WeakPolarHBondContact O-CG2 3.19Å; V184-V188 PolarHBondContact O-N 3.34Å
185K98Very high96.4Very high146 Ų14656.4 Ų56.464%0.63527%0.273SS*.Hα-helixtrans-59.1-39.3177.8-72172.2-176.4174.90111.8E181 W182 M183 R189E181-K185 WeakPolarHBondContact O-CG 3.4Å; E181-K185 PolarHBondContact O-N 2.77Å; E181-K185 VanDerWaalsContact O-N 3.14Å; W182-K185 PolarHBondContact O-N 3.44Å; M183-K185 VanDerWaalsContact C-N 3.33Å; M183-K185 PolarHBondContact O-N 2.71Å; K185-R189 VanDerWaalsContact O-CG 3.29Å; K185-R189 WeakPolarHBondContact O-CG 3.38Å; K185-R189 PolarHBondContact O-N 2.91Å
186C98.2Very high95.8Very high0 Ų061.5 Ų61.50%029%0.29CS..Hα-helixtrans-71.5-44.7-179.3-61.10000113.2P128 W182 M183 V184 R189 N190P128-C186 HydrophobicContact CB-CB 3.54Å; P128-C186 HydrophobicContact CG-CB 3.8Å; W182-C186 WeakPolarHBondContact CZ2-SG 3.46Å; W182-C186 PolarHBondContact O-N 3.11Å; W182-C186 PolarHBondContact O-SG 2.91Å; M183-C186 PolarHBondContact O-N 3.04Å; V184-C186 VanDerWaalsContact C-N 3.25Å; V184-C186 PolarHBondContact O-N 3.33Å; C186-R189 WeakPolarHBondContact O-CG 3.46Å; C186-R189 PolarHBondContact SG-NH2 2.93Å; C186-N190 WeakPolarHBondContact O-CB 3.44Å; C186-N190 PolarHBondContact O-N 3.26Å
187V97.7Very high94.6Very high2 Ų270 Ų701%0.01233%0.329CS..Hα-helixtrans-72.4-37.2-178.1-56.80000111.9Y18 I20 L71 H94 P128 M183 V184 R189 N190Y18-V187 HydrophobicContact CD1-CB 3.69Å; Y18-V187 HydrophobicContact CD1-CG2 3.64Å; Y18-V187 HydrophobicContact CD2-CG2 3.98Å; Y18-V187 HydrophobicContact CE1-CB 4.15Å; Y18-V187 HydrophobicContact CE1-CG2 4.09Å; Y18-V187 HydrophobicContact CE2-CG2 4.41Å; Y18-V187 HydrophobicContact CG-CB 4.1Å; Y18-V187 HydrophobicContact CG-CG2 3.57Å; I20-V187 HydrophobicContact CD1-CG1 3.81Å; L71-V187 HydrophobicContact CD2-CG2 4.24Å; H94-V187 HydrophobicContact CB-CB 4.4Å; H94-V187 HydrophobicContact CB-CG1 4.23Å; H94-V187 VanDerWaalsContact O-CG1 3.31Å; H94-V187 WeakPolarHBondContact O-CG1 3.45Å; P128-V187 HydrophobicContact CG-CG1 3.93Å; M183-V187 HydrophobicContact CG-CG1 4.29Å; M183-V187 WeakPolarHBondContact O-CG1 3.41Å; M183-V187 PolarHBondContact O-N 3.38Å; M183-V187 HydrophobicContact SD-CG1 3.81Å; V184-V187 PolarHBondContact O-N 3.35Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 3.2Å; V187-N190 PolarHBondContact O-N 3.17Å; V187-N190 VanDerWaalsContact O-N 3.17Å
188V96Very high92.9Very high78 Ų7870.4 Ų70.447%0.47333%0.331SS..Hα-helixtrans-66.3-34.8178.7170.60000112.1Y18 A69 V184 N190Y18-V188 HydrophobicContact CE2-CG2 3.88Å; A69-V188 HydrophobicContact CB-CG2 4.26Å; V184-V188 HydrophobicContact CG1-CG2 4.12Å; V184-V188 WeakPolarHBondContact O-CB 3.26Å; V184-V188 WeakPolarHBondContact O-CG2 3.19Å; V184-V188 PolarHBondContact O-N 3.34Å; V188-N190 VanDerWaalsContact C-N 3.32Å
189R95.4Very high90.8Very high135 Ų13573.5 Ų73.551%0.50935%0.35SS..Hα-helixtrans-79.1-14.917670.8-180163.8-163.7-9.4113.6D162 K185 C186 V187 V191D162-R189 IonicContact OD1-CZ 3.99Å; D162-R189 IonicContact OD1-NE 2.63Å; D162-R189 IonicContact OD1-NH2 3.14Å; D162-R189 PolarHBondContact OD1-NH2 2.89Å; D162-R189 IonicContact OD2-CZ 2.62Å; D162-R189 IonicContact OD2-NE 2.82Å; D162-R189 PolarHBondContact OD2-NE 3.36Å; D162-R189 IonicContact OD2-NH2 3.73Å; D162-R189 PolarHBondContact OD2-NH2 2.89Å; K185-R189 VanDerWaalsContact O-CG 3.29Å; K185-R189 WeakPolarHBondContact O-CG 3.38Å; K185-R189 PolarHBondContact O-N 2.91Å; C186-R189 WeakPolarHBondContact O-CG 3.46Å; C186-R189 PolarHBondContact SG-NH2 2.93Å; V187-R189 VanDerWaalsContact C-N 3.34Å; V187-R189 PolarHBondContact O-N 3.2Å; R189-V191 PolarHBondContact O-N 3.27Å
190N95.3Very high88.5Confident21 Ų2178.2 Ų78.211%0.11237%0.374CS..  trans-81.185.7-173.5-169.3-2.2000111.3G126 C186 V187 V188 H192 R193G126-N190 PolarHBondContact O-ND2 3.12Å; C186-N190 WeakPolarHBondContact O-CB 3.44Å; C186-N190 PolarHBondContact O-N 3.26Å; V187-N190 PolarHBondContact O-N 3.17Å; V187-N190 VanDerWaalsContact O-N 3.17Å; V188-N190 VanDerWaalsContact C-N 3.32Å; N190-H192 PolarHBondContact O-N 3.26Å; N190-H192 VanDerWaalsContact O-N 3.12Å; N190-H192 PolarHBondContact OD1-N 2.86Å; N190-R193 CarbonylContact O-C 3.44Å; N190-R193 PolarHBondContact O-N 3.46Å; N190-R193 VanDerWaalsContact O-N 3.09Å
191V91.4Very high86Confident119 Ų11986.6 Ų86.672%0.72143%0.426SS*.THydrogen-bonded Turntrans-61.4-20.1-180-61.40000114.1R189 R193R189-V191 PolarHBondContact O-N 3.27Å; V191-R193 VanDerWaalsContact C-N 3.31Å
192H91.8Very high85.4Confident165 Ų16587.8 Ų87.876%0.76443%0.432SS*.THydrogen-bonded Turntrans-78.7-16.5178.8-58.6-64.2000113.1N190N190-H192 PolarHBondContact O-N 3.26Å; N190-H192 VanDerWaalsContact O-N 3.12Å; N190-H192 PolarHBondContact OD1-N 2.86Å
193R92Very high84.7Confident67 Ų6789.7 Ų89.725%0.25345%0.445SS..SBendtrans-128.373177.8-68.4-67.4-165.3165.46.1108.5A91 A123 N190 V191A91-R193 PolarHBondContact O-NH1 3.13Å; A123-R193 PolarHBondContact O-NH2 2.62Å; N190-R193 CarbonylContact O-C 3.44Å; N190-R193 PolarHBondContact O-N 3.46Å; N190-R193 VanDerWaalsContact O-N 3.09Å; V191-R193 VanDerWaalsContact C-N 3.31Å
194P92.1Very high84Confident84 Ų8494.7 Ų94.755%0.54547%0.47SS..PPolyproline II helixtrans-61.9156.3-178.428.6-35.9000111H94H94-P194 PolarHBondContact CD2-O 2.78Å; H94-P194 PolarHBondContact NE2-O 3.28Å; H94-P194 VanDerWaalsContact NE2-O 3.08Å
195P92.1Very high83.1Confident35 Ų3599.2 Ų99.223%0.22749%0.491CS..PPolyproline II helixtrans-57.3151.2179.324-33.4000111.7D16 E17 Y18 Q197D16-P195 HydrophobicContact CB-CB 3.75Å; D16-P195 HydrophobicContact CB-CG 3.97Å; E17-P195 CarbonylContact O-C 3.59Å; E17-P195 WeakPolarHBondContact O-CA 3.2Å; Y18-P195 HydrophobicContact CD1-CB 4.37Å; Y18-P195 HydrophobicContact CE1-CB 3.88Å; Y18-P195 HydrophobicContact CE1-CG 4.44Å; Y18-P195 HydrophobicContact CE2-CB 4.14Å; P195-Q197 PolarHBondContact O-N 3.12Å; P195-Q197 VanDerWaalsContact O-N 3.1Å
196R86.1Confident82.2Confident118 Ų11896.3 Ų96.345%0.44548%0.482SS..PPolyproline II helixtrans-58.1116.7179.8-169-179.8-175.9-174.46.4109.9E17 R198E17-R196 HydrophobicContact CB-CB 4.49Å; E17-R196 PolarHBondContact O-N 3.11Å; R196-R198 PolarHBondContact O-N 2.72Å
197Q72.3Confident81.1Confident177 Ų177102.7 Ų102.783%0.82751%0.514SS*.PPolyproline II helixtrans-67.4123.7169-67.4-177.47.400108P195P195-Q197 PolarHBondContact O-N 3.12Å; P195-Q197 VanDerWaalsContact O-N 3.1Å
198R62.2Low79.9Confident119 Ų119109.9 Ų109.945%0.44955%0.55SS..PPolyproline II helixtrans-93.2130.4163.6-63.6-176.8169.8-166.4-8.5107E17 R196 I200E17-R198 IonicContact OE1-CZ 2.59Å; E17-R198 IonicContact OE1-NE 3.78Å; E17-R198 PolarHBondContact OE1-NE 3.17Å; E17-R198 IonicContact OE1-NH2 2.82Å; E17-R198 PolarHBondContact OE1-NH2 3.01Å; E17-R198 IonicContact OE2-CZ 3.34Å; E17-R198 IonicContact OE2-NE 3.68Å; E17-R198 IonicContact OE2-NH2 3.15Å; E17-R198 PolarHBondContact OE2-NH2 3.32Å; R196-R198 PolarHBondContact O-N 2.72Å; R198-I200 PolarHBondContact O-N 3.4Å; R198-I200 VanDerWaalsContact O-N 3.08Å
199D54.4Low78.7Confident146 Ų146112.4 Ų112.478%0.78156%0.556SS**PPolyproline II helixtrans-55.4117.6169.1-64.2-42000108.3T201D199-T201 VanDerWaalsContact C-N 3.27Å; D199-T201 HydrophobicContact CB-CG2 4.43Å; D199-T201 PolarHBondContact O-N 3.01Å
200I51.4Low77.3Confident98 Ų98110.5 Ų110.550%0.50356%0.559SS.*  trans-72.193.6171-51.4168.5000105.1Y11 R198Y11-I200 HydrophobicContact CD2-CD1 3.4Å; Y11-I200 HydrophobicContact CD2-CG1 4.45Å; Y11-I200 HydrophobicContact CE2-CD1 4.07Å; Y11-I200 HydrophobicContact CG-CD1 4.12Å; R198-I200 PolarHBondContact O-N 3.4Å; R198-I200 VanDerWaalsContact O-N 3.08Å
201T46.7Very low75.7Confident177 Ų177118.6 Ų118.6100%1.08660%0.6SS**  trans-94.40167.449.90000110.7D199D199-T201 VanDerWaalsContact C-N 3.27Å; D199-T201 HydrophobicContact CB-CG2 4.43Å; D199-T201 PolarHBondContact O-N 3.01Å

Retrieved 201 of 201 residues in 862.9 ms (Link to these results)

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