A0A087XPN8_POEFO Loading...

peptidylprolyl isomerase

May play a positive role in AHR-mediated (aromatic hydrocarbon receptor) signaling, possibly by influencing its receptivity for ligand and/or its nuclear targeting.

AlphaFold DB , UniProt , Accession A0A087XPN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 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
1M49.3Very low75.9Confident192 Ų192101.9 Ų101.995%0.94649%0.485SS*.  0-47.20-161.1-176.7-68.400110.7G5M1-G5 PolarHBondContact O-N 3.43Å
2E57.9Low77.4Confident155 Ų15594.1 Ų94.172%0.72445%0.451SS*.Hα-helixtrans-66.5-36.4176.4-69.6-175.9163.300114.2R6E2-R6 WeakPolarHBondContact O-CB 3.15Å; E2-R6 PolarHBondContact O-N 3.03Å
3E68.5Low78.8Confident125 Ų12587 Ų8758%0.58442%0.417SS*.Hα-helixtrans-68.2-49.1-175.5-164.9-179.5168.200113R6 R7E3-R6 PolarHBondContact O-N 2.85Å; E3-R7 WeakPolarHBondContact O-CG 3.2Å; E3-R7 PolarHBondContact O-N 2.86Å; E3-R7 IonicContact OE1-CZ 2.81Å; E3-R7 IonicContact OE1-NE 2.89Å; E3-R7 IonicContact OE1-NH2 3.21Å; E3-R7 PolarHBondContact OE1-NH2 2.79Å
4E71.1Confident80Confident51 Ų5190 Ų9024%0.23842%0.422CS..Hα-helixtrans-70.4-34.8179.4-158.863.1-159.600112R6 R7 L8 R76 T80E4-R6 VanDerWaalsContact C-N 3.31Å; E4-R6 PolarHBondContact O-N 2.84Å; E4-R7 PolarHBondContact O-N 3.4Å; E4-R7 WeakPolarHBondContact OE2-CD 3.32Å; E4-R7 IonicContact OE2-CZ 2.62Å; E4-R7 IonicContact OE2-NE 2.97Å; E4-R7 IonicContact OE2-NH1 2.7Å; E4-R7 PolarHBondContact OE2-NH1 3.04Å; E4-R7 VanDerWaalsContact OE2-NH1 3.12Å; E4-L8 WeakPolarHBondContact O-CG 3.37Å; E4-L8 PolarHBondContact O-N 3.22Å; E4-R76 IonicContact OE1-CZ 3.8Å; E4-R76 IonicContact OE1-NH1 3.35Å; E4-R76 PolarHBondContact OE1-NH1 3.16Å; E4-R76 IonicContact OE1-NH2 3.48Å; E4-T80 HydrophobicContact CG-CG2 3.95Å
5G71.8Confident81Confident38 Ų3888.3 Ų88.339%0.39241%0.413SS..Hα-helixtrans-64.1-35.9171.700000112.8M1 L9M1-G5 PolarHBondContact O-N 3.43Å; G5-L9 WeakPolarHBondContact O-CB 3.2Å; G5-L9 PolarHBondContact O-N 2.72Å; G5-L9 VanDerWaalsContact O-N 3.08Å
6R78Confident81.9Confident147 Ų14790.9 Ų90.956%0.55542%0.423SS*.Hα-helixtrans-69.8-42.2174.8-165.2-178.2-64.3169.21.2111.4E2 E3 E4 L9 E10E2-R6 WeakPolarHBondContact O-CB 3.15Å; E2-R6 PolarHBondContact O-N 3.03Å; E3-R6 PolarHBondContact O-N 2.85Å; E4-R6 VanDerWaalsContact C-N 3.31Å; E4-R6 PolarHBondContact O-N 2.84Å; R6-L9 WeakPolarHBondContact O-CB 3.45Å; R6-L9 PolarHBondContact O-N 3.19Å; R6-E10 WeakPolarHBondContact O-CG 3.32Å; R6-E10 PolarHBondContact O-N 3.01Å
7R84.1Confident82.7Confident104 Ų10490.1 Ų90.139%0.39243%0.425SS..Hα-helixtrans-60.4-44.9173.3-71.6174.3-173.7179.7-2.3112.4E3 E4 L9 E10 E11E3-R7 WeakPolarHBondContact O-CG 3.2Å; E3-R7 PolarHBondContact O-N 2.86Å; E3-R7 IonicContact OE1-CZ 2.81Å; E3-R7 IonicContact OE1-NE 2.89Å; E3-R7 IonicContact OE1-NH2 3.21Å; E3-R7 PolarHBondContact OE1-NH2 2.79Å; E4-R7 PolarHBondContact O-N 3.4Å; E4-R7 WeakPolarHBondContact OE2-CD 3.32Å; E4-R7 IonicContact OE2-CZ 2.62Å; E4-R7 IonicContact OE2-NE 2.97Å; E4-R7 IonicContact OE2-NH1 2.7Å; E4-R7 PolarHBondContact OE2-NH1 3.04Å; E4-R7 VanDerWaalsContact OE2-NH1 3.12Å; R7-L9 VanDerWaalsContact C-N 3.3Å; R7-L9 PolarHBondContact O-N 3.05Å; R7-E10 PolarHBondContact O-N 3.46Å; R7-E11 WeakPolarHBondContact O-CB 3.49Å; R7-E11 WeakPolarHBondContact O-CG 3.39Å; R7-E11 PolarHBondContact O-N 3.1Å
8L86.9Confident83.4Confident2 Ų290.5 Ų90.51%0.0143%0.429CS..Hα-helixtrans-58.7-43.8173.9-75.4-174.6000111.3E4 E11 G12 I13 K15 R76 T80E4-L8 WeakPolarHBondContact O-CG 3.37Å; E4-L8 PolarHBondContact O-N 3.22Å; L8-E11 CarbonylContact O-C 3.4Å; L8-E11 WeakPolarHBondContact O-CA 3.33Å; L8-E11 WeakPolarHBondContact O-CB 3.36Å; L8-E11 PolarHBondContact O-N 2.59Å; L8-E11 VanDerWaalsContact O-N 3.14Å; L8-G12 PolarHBondContact O-N 3.29Å; L8-G12 VanDerWaalsContact O-N 3.11Å; L8-I13 CarbonylContact C-O 3.58Å; L8-I13 HydrophobicContact CB-CB 4.14Å; L8-I13 HydrophobicContact CB-CG2 4.45Å; L8-I13 HydrophobicContact CD1-CG2 4.48Å; L8-I13 HydrophobicContact CD2-CB 4.27Å; L8-I13 HydrophobicContact CD2-CD1 3.89Å; L8-I13 HydrophobicContact CD2-CG2 4.25Å; L8-I13 WeakPolarHBondContact O-CA 3.36Å; L8-I13 WeakPolarHBondContact O-CB 3.21Å; L8-I13 PolarHBondContact O-N 2.96Å; L8-I13 VanDerWaalsContact O-O 3.13Å; L8-K15 HydrophobicContact CD1-CB 4.42Å; L8-R76 HydrophobicContact CD2-CG 3.8Å; L8-T80 HydrophobicContact CD1-CG2 3.78Å; L8-T80 HydrophobicContact CG-CG2 4.42Å
9L87.8Confident84.1Confident101 Ų10188.5 Ų88.553%0.52943%0.426SS..Hα-helixtrans-64.4-42.7179.6-173.266.7000112.2G5 R6 R7 E11 G12 I13 R14G5-L9 WeakPolarHBondContact O-CB 3.2Å; G5-L9 PolarHBondContact O-N 2.72Å; G5-L9 VanDerWaalsContact O-N 3.08Å; R6-L9 WeakPolarHBondContact O-CB 3.45Å; R6-L9 PolarHBondContact O-N 3.19Å; R7-L9 VanDerWaalsContact C-N 3.3Å; R7-L9 PolarHBondContact O-N 3.05Å; L9-E11 PolarHBondContact O-N 2.69Å; L9-G12 PolarHBondContact O-N 3.04Å; L9-I13 PolarHBondContact N-O 3.33Å; L9-R14 HydrophobicContact CD1-CG 3.69Å
10E89.4Confident84.5Confident144 Ų14489.1 Ų89.167%0.67344%0.437SS*.Hα-helixtrans-60.5-35.3172.6-72.1167.7-171.200111.6R6 R7 G12R6-E10 WeakPolarHBondContact O-CG 3.32Å; R6-E10 PolarHBondContact O-N 3.01Å; R7-E10 PolarHBondContact O-N 3.46Å; E10-G12 PolarHBondContact O-N 3.38Å
11E90Very high84.7Confident62 Ų6285.4 Ų85.429%0.2942%0.422SS..THydrogen-bonded Turntrans-76.9-0.5172.9-73177.2-163.200113.4R7 L8 L9 I13 R76 K94 H95R7-E11 WeakPolarHBondContact O-CB 3.49Å; R7-E11 WeakPolarHBondContact O-CG 3.39Å; R7-E11 PolarHBondContact O-N 3.1Å; L8-E11 CarbonylContact O-C 3.4Å; L8-E11 WeakPolarHBondContact O-CA 3.33Å; L8-E11 WeakPolarHBondContact O-CB 3.36Å; L8-E11 PolarHBondContact O-N 2.59Å; L8-E11 VanDerWaalsContact O-N 3.14Å; L9-E11 PolarHBondContact O-N 2.69Å; E11-I13 HydrophobicContact CB-CD1 4.43Å; E11-R76 IonicContact OE1-CZ 2.99Å; E11-R76 IonicContact OE1-NE 3.78Å; E11-R76 PolarHBondContact OE1-NE 3.06Å; E11-R76 IonicContact OE1-NH2 3.59Å; E11-R76 PolarHBondContact OE1-NH2 3.44Å; E11-R76 IonicContact OE2-CZ 3.94Å; E11-R76 IonicContact OE2-NE 2.79Å; E11-R76 PolarHBondContact OE2-NE 3.43Å; E11-R76 IonicContact OE2-NH2 2.71Å; E11-K94 WeakPolarHBondContact O-CE 3.43Å; E11-K94 PolarHBondContact O-NZ 2.83Å; E11-H95 PolarHBondContact O-NE2 2.82Å
12G93.5Very high86.5Confident8 Ų884.8 Ų84.88%0.08241%0.414CS..THydrogen-bonded Turntrans78.729.8179.800000113.9L8 L9 E10 D92L8-G12 PolarHBondContact O-N 3.29Å; L8-G12 VanDerWaalsContact O-N 3.11Å; L9-G12 PolarHBondContact O-N 3.04Å; E10-G12 PolarHBondContact O-N 3.38Å; G12-D92 VanDerWaalsContact CA-OD2 3.23Å; G12-D92 WeakPolarHBondContact CA-OD2 3.37Å; G12-D92 VanDerWaalsContact O-CG 3.24Å; G12-D92 PolarHBondContact O-N 3.14Å
13I96.4Very high87.5Confident2 Ų280.2 Ų80.21%0.0141%0.408CS..EExtended strand (participates in β ladder)trans-121.2118.8178.8-55.6170000108.2L8 L9 E11 V73 R76 I77 F89 T90L8-I13 CarbonylContact C-O 3.58Å; L8-I13 HydrophobicContact CB-CB 4.14Å; L8-I13 HydrophobicContact CB-CG2 4.45Å; L8-I13 HydrophobicContact CD1-CG2 4.48Å; L8-I13 HydrophobicContact CD2-CB 4.27Å; L8-I13 HydrophobicContact CD2-CD1 3.89Å; L8-I13 HydrophobicContact CD2-CG2 4.25Å; L8-I13 WeakPolarHBondContact O-CA 3.36Å; L8-I13 WeakPolarHBondContact O-CB 3.21Å; L8-I13 PolarHBondContact O-N 2.96Å; L8-I13 VanDerWaalsContact O-O 3.13Å; L9-I13 PolarHBondContact N-O 3.33Å; E11-I13 HydrophobicContact CB-CD1 4.43Å; I13-V73 HydrophobicContact CD1-CG2 3.72Å; I13-V73 HydrophobicContact CG1-CG2 4.35Å; I13-R76 HydrophobicContact CD1-CG 4.24Å; I13-I77 HydrophobicContact CD1-CG2 4.46Å; I13-I77 HydrophobicContact CG2-CG2 3.74Å; I13-F89 HydrophobicContact CG2-CD1 4.4Å; I13-T90 WeakPolarHBondContact CA-O 3.33Å
14R95.4Very high87.8Confident129 Ų12981.4 Ų81.449%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-103.6117.5174.7-71.4-175-68.1-80.8-1.2110.2L9 F89 T90L9-R14 HydrophobicContact CD1-CG 3.69Å; R14-F89 CarbonylContact O-C 3.38Å; R14-F89 VanDerWaalsContact O-CA 3.32Å; R14-F89 WeakPolarHBondContact O-CA 3.4Å; R14-T90 PolarHBondContact N-O 2.75Å; R14-T90 PolarHBondContact O-N 3.29Å
15K94.9Very high87.7Confident65 Ų6583.3 Ų83.328%0.28343%0.43SS..EExtended strand (participates in β ladder)trans-94.3133.1174.2-179.3179.7-171.4171.70110.8L8 T80 E85 E88 F89L8-K15 HydrophobicContact CD1-CB 4.42Å; K15-T80 VanDerWaalsContact NZ-C 3.34Å; K15-T80 PolarHBondContact NZ-O 2.88Å; K15-T80 PolarHBondContact NZ-OG1 3.31Å; K15-E85 WeakPolarHBondContact CE-OE1 3.48Å; K15-E85 IonicContact NZ-OE1 2.8Å; K15-E85 PolarHBondContact NZ-OE1 3.32Å; K15-E85 IonicContact NZ-OE2 3.21Å; K15-E88 CarbonylContact C-O 3.49Å; K15-E88 WeakPolarHBondContact CA-O 3.17Å; K15-F89 HydrophobicContact CB-CD1 3.82Å; K15-F89 HydrophobicContact CB-CE1 3.77Å; K15-F89 HydrophobicContact CD-CD1 4.42Å; K15-F89 HydrophobicContact CD-CE1 3.52Å; K15-F89 HydrophobicContact CD-CZ 3.99Å; K15-F89 HydrophobicContact CG-CD1 3.88Å; K15-F89 HydrophobicContact CG-CE1 3.41Å; K15-F89 VanDerWaalsContact CG-CE1 3.41Å; K15-F89 HydrophobicContact CG-CZ 4.02Å
16K95.3Very high87.3Confident130 Ų13084.1 Ų84.157%0.56543%0.43SS*.EExtended strand (participates in β ladder)trans-126.2114.1169.2-178.2-176.2177.8-174.60109.2I18 A87 E88K16-I18 HydrophobicContact CD-CD1 4.05Å; K16-I18 HydrophobicContact CG-CD1 4.1Å; K16-I18 PolarHBondContact O-N 2.8Å; K16-A87 CarbonylContact O-C 3.56Å; K16-A87 WeakPolarHBondContact O-CA 3.16Å; K16-E88 HydrophobicContact CB-CB 4.5Å; K16-E88 PolarHBondContact N-O 2.81Å; K16-E88 PolarHBondContact O-N 3.37Å
17V95.1Very high86.9Confident76 Ų7683.1 Ų83.146%0.46144%0.44SS..EExtended strand (participates in β ladder)trans-75.8124.9174.8-179.40000108.8E85V17-E85 HydrophobicContact CG1-CG 4.32Å
18I96.4Very high86.8Confident98 Ų9878.4 Ų78.450%0.50342%0.422SS..EExtended strand (participates in β ladder)trans-94.6-45.9177.9-54-58.4000110.2K16 V86 E88K16-I18 HydrophobicContact CD-CD1 4.05Å; K16-I18 HydrophobicContact CG-CD1 4.1Å; K16-I18 PolarHBondContact O-N 2.8Å; I18-V86 WeakPolarHBondContact CA-O 3.31Å; I18-V86 HydrophobicContact CB-CB 4.31Å; I18-V86 HydrophobicContact CB-CG1 4.08Å; I18-V86 WeakPolarHBondContact CB-O 3.42Å; I18-V86 HydrophobicContact CG2-CG1 4.47Å; I18-V86 PolarHBondContact N-O 3.49Å; I18-E88 HydrophobicContact CD1-CB 4.47Å; I18-E88 HydrophobicContact CG1-CB 4.43Å
19S95.5Very high86.7Confident52 Ų5281.6 Ų81.636%0.36444%0.443SS..EExtended strand (participates in β ladder)trans-135.2126.7173.4-177.60000109.1E85 V86S19-E85 WeakPolarHBondContact O-CA 3.23Å; S19-E85 WeakPolarHBondContact O-CG 3.32Å; S19-V86 PolarHBondContact N-O 3.31Å; S19-V86 PolarHBondContact O-N 3.19Å
20P92.6Very high86.6Confident100 Ų10083 Ų8365%0.64945%0.451SS*.  trans-67.6141.4178.229.7-34.1000110.7
21G89.4Confident86.3Confident12 Ų1276.9 Ų76.912%0.12443%0.427CS..  trans-82.1179.5171.400000113.1Q83G21-Q83 CarbonylContact C-O 3.56Å; G21-Q83 VanDerWaalsContact CA-O 3.29Å; G21-Q83 WeakPolarHBondContact CA-O 3.45Å
22K86Confident86.3Confident180 Ų18074.1 Ų74.178%0.78341%0.414SS*.BIsolated β-bridgetrans-100.7157.8178.7-62.1179.3-176.5175.40111.2Q83K22-Q83 PolarHBondContact N-O 2.86Å
23G79Confident86.1Confident58 Ų5875.1 Ų75.160%0.59842%0.416SS*.SBendtrans77.5-177.2177.400000114R82G23-R82 WeakPolarHBondContact O-CD 3.37Å
24D74.9Confident86Confident150 Ų15075 Ų7580%0.80242%0.416SS*.  trans-79.3159.2177-68.5-42000111.7S26D24-S26 PolarHBondContact O-N 3.38Å
25L68.4Low85.9Confident92 Ų9269.4 Ų69.448%0.48240%0.396SS..  trans-68105.6173.2-145.9107.7000107.8R82L25-R82 HydrophobicContact CD1-CG 4.22Å
26S64.9Low86Confident55 Ų5566.3 Ų66.339%0.38538%0.382SS..  trans-76.5142.8179.2176.40000109.9D24 F28D24-S26 PolarHBondContact O-N 3.38Å; S26-F28 PolarHBondContact O-N 3.2Å; S26-F28 WeakPolarHBondContact OG-CD1 3.47Å
27T68.6Low86.1Confident125 Ų12561 Ų6177%0.76736%0.36SS*.  trans-73.32179.233.90000113.8
28F82.5Confident86.2Confident6 Ų657.6 Ų57.63%0.02634%0.338CS..  trans29.171.7-176.8-62.9-9.2000112.9S26 T32 V34 M65 V78 I79 M81 V158S26-F28 PolarHBondContact O-N 3.2Å; S26-F28 WeakPolarHBondContact OG-CD1 3.47Å; F28-T32 HydrophobicContact CB-CG2 4.35Å; F28-T32 HydrophobicContact CD1-CG2 4.34Å; F28-T32 HydrophobicContact CG-CG2 4.4Å; F28-V34 HydrophobicContact CD2-CG1 4.05Å; F28-V34 HydrophobicContact CE2-CG1 3.94Å; F28-V34 HydrophobicContact CZ-CG1 4.38Å; F28-M65 HydrophobicContact CB-CG 4.18Å; F28-V78 HydrophobicContact CD2-CG1 4.34Å; F28-V78 HydrophobicContact CE2-CG1 3.91Å; F28-V78 VanDerWaalsContact CE2-O 3.26Å; F28-V78 WeakPolarHBondContact CE2-O 3.4Å; F28-I79 HydrophobicContact CB-CD1 4.49Å; F28-I79 HydrophobicContact CB-CG1 4.17Å; F28-I79 HydrophobicContact CD2-CB 4.29Å; F28-I79 HydrophobicContact CD2-CG1 4.28Å; F28-I79 HydrophobicContact CG-CG1 4.49Å; F28-M81 WeakPolarHBondContact CZ-O 3.06Å; F28-V158 HydrophobicContact CD1-CG1 3.77Å; F28-V158 HydrophobicContact CE1-CB 4.21Å; F28-V158 HydrophobicContact CE1-CG1 3.43Å; F28-V158 VanDerWaalsContact CE1-CG1 3.43Å; F28-V158 HydrophobicContact CE1-CG2 3.75Å; F28-V158 HydrophobicContact CZ-CG1 4.13Å; F28-V158 HydrophobicContact CZ-CG2 3.69Å
29P84.5Confident86.2Confident68 Ų6857.5 Ų57.544%0.44233%0.332SS..  trans-56.8156.3179.125.1-34.7000111.6G31 T32 P161P29-G31 PolarHBondContact O-N 3.25Å; P29-T32 VanDerWaalsContact CD-OG1 3.28Å; P29-T32 WeakPolarHBondContact CD-OG1 3.07Å; P29-T32 VanDerWaalsContact O-CB 3.26Å; P29-T32 WeakPolarHBondContact O-CB 3.35Å; P29-T32 PolarHBondContact O-N 3.43Å; P29-T32 PolarHBondContact O-OG1 2.94Å; P29-P161 HydrophobicContact CG-CG 4.09Å
30N85.3Confident86.3Confident131 Ų13155 Ų5570%0.70131%0.314SS*.THydrogen-bonded Turntrans-51.3134.6174.7-71-13.8000110.6
31G83.3Confident86.6Confident16 Ų1650.7 Ų50.717%0.16529%0.286CS..THydrogen-bonded Turntrans90.5-4-173.400000114.9P29 K33 M65 F164P29-G31 PolarHBondContact O-N 3.25Å; G31-K33 PolarHBondContact O-N 3.44Å; G31-M65 PolarHBondContact N-O 3.24Å; G31-F164 WeakPolarHBondContact O-CE1 3.38Å; G31-F164 VanDerWaalsContact O-CZ 3.29Å; G31-F164 WeakPolarHBondContact O-CZ 3.28Å
32T89.4Confident86.9Confident3 Ų351 Ų512%0.01829%0.285CS..  trans-65.6130171.2-59.10000109.2F28 P29 V34 I64 M65 V158 L159F28-T32 HydrophobicContact CB-CG2 4.35Å; F28-T32 HydrophobicContact CD1-CG2 4.34Å; F28-T32 HydrophobicContact CG-CG2 4.4Å; P29-T32 VanDerWaalsContact CD-OG1 3.28Å; P29-T32 WeakPolarHBondContact CD-OG1 3.07Å; P29-T32 VanDerWaalsContact O-CB 3.26Å; P29-T32 WeakPolarHBondContact O-CB 3.35Å; P29-T32 PolarHBondContact O-N 3.43Å; P29-T32 PolarHBondContact O-OG1 2.94Å; T32-V34 HydrophobicContact CG2-CG1 4.18Å; T32-I64 WeakPolarHBondContact O-CA 3.28Å; T32-M65 WeakPolarHBondContact O-CG 3.42Å; T32-M65 PolarHBondContact O-N 3.04Å; T32-V158 HydrophobicContact CG2-CG1 3.6Å; T32-L159 WeakPolarHBondContact CA-O 3.48Å; T32-L159 WeakPolarHBondContact CG2-O 3.44Å
33K91.1Very high87.3Confident29 Ų2946.1 Ų46.113%0.12627%0.273CS..EExtended strand (participates in β ladder)trans-93128.3170.8168.9172.5171.5171.60109.1G31 V35 E62 L63 I64 L159 F164G31-K33 PolarHBondContact O-N 3.44Å; K33-V35 HydrophobicContact CG-CG2 4.26Å; K33-E62 WeakPolarHBondContact CE-OE1 3.33Å; K33-E62 VanDerWaalsContact CE-OE2 3.3Å; K33-E62 WeakPolarHBondContact CE-OE2 3.38Å; K33-E62 IonicContact NZ-OE1 2.89Å; K33-E62 PolarHBondContact NZ-OE1 3.48Å; K33-E62 IonicContact NZ-OE2 2.62Å; K33-E62 PolarHBondContact NZ-OE2 3.46Å; K33-L63 CarbonylContact C-O 3.56Å; K33-L63 WeakPolarHBondContact CA-O 3.48Å; K33-I64 HydrophobicContact CB-CG1 4.31Å; K33-L159 HydrophobicContact CB-CB 4.2Å; K33-L159 HydrophobicContact CD-CD1 4.14Å; K33-L159 HydrophobicContact CG-CD1 4.35Å; K33-L159 PolarHBondContact N-O 2.84Å; K33-L159 PolarHBondContact O-N 2.94Å; K33-F164 HydrophobicContact CB-CD1 3.87Å; K33-F164 HydrophobicContact CB-CD2 4.13Å; K33-F164 HydrophobicContact CB-CE1 3.43Å; K33-F164 VanDerWaalsContact CB-CE1 3.43Å; K33-F164 HydrophobicContact CB-CE2 3.68Å; K33-F164 HydrophobicContact CB-CG 4.21Å; K33-F164 HydrophobicContact CB-CZ 3.34Å; K33-F164 HydrophobicContact CD-CD2 3.69Å; K33-F164 HydrophobicContact CD-CE2 3.86Å; K33-F164 HydrophobicContact CD-CG 4.06Å; K33-F164 HydrophobicContact CD-CZ 4.41Å; K33-F164 HydrophobicContact CG-CE2 4.38Å; K33-F164 HydrophobicContact CG-CZ 4.47Å
34V93Very high88Confident0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans-116.5132.3175.2-63.60000108.7F28 T32 F36 L63 M65 V78 M155 E157 V158F28-V34 HydrophobicContact CD2-CG1 4.05Å; F28-V34 HydrophobicContact CE2-CG1 3.94Å; F28-V34 HydrophobicContact CZ-CG1 4.38Å; T32-V34 HydrophobicContact CG2-CG1 4.18Å; V34-F36 HydrophobicContact CG2-CD1 4.2Å; V34-F36 HydrophobicContact CG2-CE1 4.15Å; V34-L63 HydrophobicContact CG2-CB 3.74Å; V34-L63 HydrophobicContact CG2-CD2 4.24Å; V34-L63 HydrophobicContact CG2-CG 4.23Å; V34-L63 WeakPolarHBondContact CG2-O 3.4Å; V34-L63 PolarHBondContact N-O 3.07Å; V34-L63 PolarHBondContact O-N 2.81Å; V34-M65 HydrophobicContact CG2-SD 4.19Å; V34-V78 HydrophobicContact CB-CG1 4.11Å; V34-V78 HydrophobicContact CG1-CG1 4.13Å; V34-V78 HydrophobicContact CG2-CG1 3.68Å; V34-M155 HydrophobicContact CB-CE 4.22Å; V34-M155 HydrophobicContact CB-SD 4.12Å; V34-E157 WeakPolarHBondContact CA-O 3.41Å; V34-V158 HydrophobicContact CG1-CG1 4.33Å; V34-V158 HydrophobicContact CG1-CG2 4.34Å
35V94.5Very high88.8Confident11 Ų1144.2 Ų44.27%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-116.1123.1-179.4-173.60000107.9K33 P60 M61 E62 L156 E157K33-V35 HydrophobicContact CG-CG2 4.26Å; V35-P60 HydrophobicContact CG1-CB 3.76Å; V35-P60 HydrophobicContact CG1-CG 3.83Å; V35-M61 WeakPolarHBondContact CA-O 3.41Å; V35-E62 HydrophobicContact CG2-CG 4.4Å; V35-L156 HydrophobicContact CG1-CD1 4.4Å; V35-L156 WeakPolarHBondContact O-CA 3.43Å; V35-L156 WeakPolarHBondContact O-CB 3.49Å; V35-L156 PolarHBondContact O-N 2.63Å; V35-E157 HydrophobicContact CB-CB 4.1Å; V35-E157 HydrophobicContact CG2-CB 4.37Å; V35-E157 PolarHBondContact N-O 2.87Å; V35-E157 PolarHBondContact O-N 3.34Å; V35-E157 VanDerWaalsContact O-N 3.12Å
36F96.3Very high90.1Very high0 Ų043.3 Ų43.30%026%0.258CS..EExtended strand (participates in β ladder)trans-148.8151.2-175.460.9-93.7000112.7V34 Y38 M61 L63 W74 V78 I153 E154 M155V34-F36 HydrophobicContact CG2-CD1 4.2Å; V34-F36 HydrophobicContact CG2-CE1 4.15Å; F36-Y38 HydrophobicContact CE2-CD1 4.28Å; F36-M61 HydrophobicContact CD2-CB 4.09Å; F36-M61 HydrophobicContact CE1-CB 4.38Å; F36-M61 HydrophobicContact CE1-CG 4.05Å; F36-M61 HydrophobicContact CE2-CB 3.78Å; F36-M61 HydrophobicContact CE2-CG 3.88Å; F36-M61 HydrophobicContact CZ-CB 3.95Å; F36-M61 HydrophobicContact CZ-CG 3.56Å; F36-M61 PolarHBondContact N-O 2.8Å; F36-M61 PolarHBondContact O-N 3.11Å; F36-L63 HydrophobicContact CE1-CB 3.86Å; F36-L63 HydrophobicContact CE1-CD2 4.16Å; F36-L63 HydrophobicContact CZ-CB 4.5Å; F36-W74 HydrophobicContact CE2-CE3 4.21Å; F36-W74 HydrophobicContact CE2-CZ3 4.17Å; F36-W74 HydrophobicContact CZ-CD2 4.47Å; F36-W74 AromaticContact CZ-CE3 3.81Å; F36-W74 HydrophobicContact CZ-CE3 3.81Å; F36-W74 HydrophobicContact CZ-CZ3 4.09Å; F36-V78 HydrophobicContact CD1-CG2 4.35Å; F36-V78 HydrophobicContact CE1-CG2 4.01Å; F36-V78 HydrophobicContact CZ-CG2 4.31Å; F36-I153 HydrophobicContact CB-CG2 3.8Å; F36-I153 HydrophobicContact CD2-CG2 3.67Å; F36-I153 HydrophobicContact CE2-CD1 4.36Å; F36-I153 HydrophobicContact CE2-CG2 4.43Å; F36-I153 HydrophobicContact CG-CG2 3.85Å; F36-E154 CarbonylContact C-O 3.53Å; F36-E154 WeakPolarHBondContact CA-O 3.3Å; F36-E154 WeakPolarHBondContact CB-O 3.44Å; F36-M155 HydrophobicContact CB-CE 4.39Å; F36-M155 HydrophobicContact CB-SD 4.38Å; F36-M155 HydrophobicContact CD1-CE 4.43Å
37H97.4Very high91.6Very high20 Ų2044.4 Ų44.49%0.09326%0.262CS..EExtended strand (participates in β ladder)trans-86.8145.8162-80.3-63.7000110.3S51 R52 S58 I153 E154H37-S51 WeakPolarHBondContact CA-OG 3.27Å; H37-S51 PolarHBondContact ND1-OG 2.81Å; H37-R52 HydrophobicContact CB-CG 4.41Å; H37-R52 VanDerWaalsContact CB-NH2 3.26Å; H37-S58 PolarHBondContact CE1-OG 3.07Å; H37-I153 WeakPolarHBondContact O-CA 3.21Å; H37-E154 HydrophobicContact CB-CB 4.39Å; H37-E154 PolarHBondContact N-O 3.42Å; H37-E154 PolarHBondContact O-N 2.95Å
38Y96.9Very high92.9Very high4 Ų439.2 Ų39.22%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-131.7149.6175.973.1-88.2000110.7F36 D49 S51 M54 M61 W74 L106 A152F36-Y38 HydrophobicContact CE2-CD1 4.28Å; Y38-D49 HydrophobicContact CE2-CB 3.96Å; Y38-S51 PolarHBondContact N-OG 2.99Å; Y38-S51 VanDerWaalsContact N-OG 3.07Å; Y38-S51 PolarHBondContact O-N 2.85Å; Y38-S51 PolarHBondContact O-OG 3.42Å; Y38-M54 VanDerWaalsContact OH-CE 3.27Å; Y38-M54 WeakPolarHBondContact OH-CE 3.46Å; Y38-M61 HydrophobicContact CD1-CB 3.89Å; Y38-M61 HydrophobicContact CE1-CB 4.1Å; Y38-W74 AromaticContact CD1-CH2 3.74Å; Y38-W74 HydrophobicContact CD1-CH2 3.74Å; Y38-W74 HydrophobicContact CD1-CZ3 4.31Å; Y38-W74 AromaticContact CD2-CH2 3.81Å; Y38-W74 HydrophobicContact CD2-CH2 3.81Å; Y38-W74 AromaticContact CD2-CZ2 3.91Å; Y38-W74 HydrophobicContact CD2-CZ2 3.91Å; Y38-W74 AromaticContact CE1-CH2 3.82Å; Y38-W74 HydrophobicContact CE1-CH2 3.82Å; Y38-W74 HydrophobicContact CE1-CZ3 4.42Å; Y38-W74 AromaticContact CE2-CH2 3.9Å; Y38-W74 HydrophobicContact CE2-CH2 3.9Å; Y38-W74 HydrophobicContact CE2-CZ2 4.25Å; Y38-W74 AromaticContact CG-CH2 3.75Å; Y38-W74 HydrophobicContact CG-CH2 3.75Å; Y38-W74 HydrophobicContact CG-CZ2 4.08Å; Y38-W74 AromaticContact CZ-CH2 3.93Å; Y38-L106 HydrophobicContact CE1-CD1 4.46Å; Y38-L106 WeakPolarHBondContact OH-CD1 3.3Å; Y38-A152 CarbonylContact C-O 3.51Å; Y38-A152 VanDerWaalsContact CA-O 3.27Å; Y38-A152 WeakPolarHBondContact CA-O 3.38Å
39R97.5Very high93.5Very high96 Ų9639.2 Ų39.236%0.36223%0.23SC..EExtended strand (participates in β ladder)trans-129.3123.8164.7-178.1-173.474.2-1662.4108.1V47 D49 D50 A152R39-V47 HydrophobicContact CG-CG1 4.04Å; R39-D49 CarbonylContact C-O 3.18Å; R39-D49 VanDerWaalsContact CA-O 3.31Å; R39-D49 WeakPolarHBondContact CA-O 3.36Å; R39-D50 HydrophobicContact CB-CB 4.45Å; R39-D50 HydrophobicContact CG-CB 4.18Å; R39-A152 HydrophobicContact CB-CB 4.34Å; R39-A152 PolarHBondContact N-O 3.17Å; R39-A152 PolarHBondContact O-N 3.46Å
40T97.5Very high94Very high0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-104.6131.8174.6-51.40000109.8L48 D49 Y99 L149 V150 F151T40-L48 HydrophobicContact CG2-CD1 4.32Å; T40-L48 PolarHBondContact O-N 2.96Å; T40-D49 PolarHBondContact N-O 2.88Å; T40-D49 PolarHBondContact O-N 2.87Å; T40-Y99 WeakPolarHBondContact CB-OH 3.33Å; T40-Y99 HydrophobicContact CG2-CD1 4.4Å; T40-Y99 HydrophobicContact CG2-CD2 4.49Å; T40-Y99 HydrophobicContact CG2-CE1 3.73Å; T40-Y99 HydrophobicContact CG2-CE2 3.84Å; T40-Y99 VanDerWaalsContact CG2-CZ 3.43Å; T40-Y99 VanDerWaalsContact OG1-CZ 3.32Å; T40-Y99 PolarHBondContact OG1-OH 3.21Å; T40-L149 HydrophobicContact CG2-CB 4.3Å; T40-L149 HydrophobicContact CG2-CD1 4.06Å; T40-V150 WeakPolarHBondContact CA-O 3.32Å; T40-F151 HydrophobicContact CG2-CD1 3.68Å; T40-F151 HydrophobicContact CG2-CE1 3.51Å; T40-F151 WeakPolarHBondContact OG1-CD1 3.35Å
41S97.6Very high94.5Very high8 Ų831.3 Ų31.36%0.05618%0.184CC..EExtended strand (participates in β ladder)trans-136.9160.617459.90000111.8T46 V150S41-T46 CarbonylContact C-O 3.49Å; S41-T46 WeakPolarHBondContact CA-O 3.45Å; S41-T46 WeakPolarHBondContact CB-O 3.41Å; S41-V150 PolarHBondContact N-O 3.35Å; S41-V150 PolarHBondContact O-N 3Å
42L96.4Very high95Very high20 Ų2034.8 Ų34.811%0.10519%0.192CC..EExtended strand (participates in β ladder)trans-66.7163.7162.9-57.3-173.7000110.2D44 G45 T46 L48 L142 Q147 L149L42-D44 WeakPolarHBondContact CB-OD1 3.37Å; L42-D44 PolarHBondContact O-N 2.76Å; L42-G45 PolarHBondContact O-N 2.85Å; L42-T46 HydrophobicContact CD1-CG2 4.44Å; L42-T46 PolarHBondContact N-O 2.54Å; L42-L48 HydrophobicContact CD2-CD1 3.86Å; L42-L48 HydrophobicContact CD2-CD2 4.36Å; L42-L48 HydrophobicContact CD2-CG 4.3Å; L42-L48 HydrophobicContact CG-CD2 4.38Å; L42-L48 HydrophobicContact CG-CG 4.43Å; L42-L142 HydrophobicContact CD2-CD1 4.28Å; L42-Q147 HydrophobicContact CD2-CG 4.14Å; L42-L149 HydrophobicContact CD2-CD2 3.61Å
43C93.8Very high95Very high77 Ų7739.4 Ų39.452%0.5222%0.221SC..THydrogen-bonded Turntrans-65.6-17177.5-68.40000114G45C43-G45 VanDerWaalsContact C-N 3.29Å
44D93.6Very high94.8Very high121 Ų12139.7 Ų39.765%0.64722%0.223SC*.THydrogen-bonded Turntrans-82.8-3.4173.368.37.8000113.6L42 T46L42-D44 WeakPolarHBondContact CB-OD1 3.37Å; L42-D44 PolarHBondContact O-N 2.76Å; D44-T46 WeakPolarHBondContact OD1-CB 3.34Å; D44-T46 PolarHBondContact OD1-N 2.99Å; D44-T46 PolarHBondContact OD1-OG1 2.63Å; D44-T46 PolarHBondContact OD2-OG1 3.11Å
45G92.8Very high94.1Very high47 Ų4741.3 Ų41.349%0.48524%0.24SC..SBendtrans94.9-4.6-179.100000115L42 C43 V47L42-G45 PolarHBondContact O-N 2.85Å; C43-G45 VanDerWaalsContact C-N 3.29Å; G45-V47 PolarHBondContact O-N 3.26Å; G45-V47 VanDerWaalsContact O-N 3.16Å
46T95.4Very high93.3Very high72 Ų7244.7 Ų44.744%0.44228%0.277SS..  trans-62.4116.1175.7-56.50000110.2S41 L42 D44S41-T46 CarbonylContact C-O 3.49Å; S41-T46 WeakPolarHBondContact CA-O 3.45Å; S41-T46 WeakPolarHBondContact CB-O 3.41Å; L42-T46 HydrophobicContact CD1-CG2 4.44Å; L42-T46 PolarHBondContact N-O 2.54Å; D44-T46 WeakPolarHBondContact OD1-CB 3.34Å; D44-T46 PolarHBondContact OD1-N 2.99Å; D44-T46 PolarHBondContact OD1-OG1 2.63Å; D44-T46 PolarHBondContact OD2-OG1 3.11Å
47V96.3Very high92.5Very high78 Ų7850.1 Ų50.147%0.47330%0.298SS..EExtended strand (participates in β ladder)trans-76.8128.9-179.2-1800000109.9R39 G45R39-V47 HydrophobicContact CG-CG1 4.04Å; G45-V47 PolarHBondContact O-N 3.26Å; G45-V47 VanDerWaalsContact O-N 3.16Å
48L95Very high92Very high17 Ų1752.7 Ų52.79%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-95.1-49.4174.3-62.5175.9000110.8T40 L42 Y99 R107 D138 L142 L149T40-L48 HydrophobicContact CG2-CD1 4.32Å; T40-L48 PolarHBondContact O-N 2.96Å; L42-L48 HydrophobicContact CD2-CD1 3.86Å; L42-L48 HydrophobicContact CD2-CD2 4.36Å; L42-L48 HydrophobicContact CD2-CG 4.3Å; L42-L48 HydrophobicContact CG-CD2 4.38Å; L42-L48 HydrophobicContact CG-CG 4.43Å; L48-Y99 HydrophobicContact CB-CE1 4.49Å; L48-Y99 HydrophobicContact CD1-CD1 4.4Å; L48-Y99 HydrophobicContact CD1-CE1 4.08Å; L48-R107 PolarHBondContact O-NH2 3.06Å; L48-D138 HydrophobicContact CD2-CB 4.38Å; L48-L142 HydrophobicContact CD1-CD2 3.68Å; L48-L149 HydrophobicContact CD1-CD2 3.85Å
49D95.8Very high91.6Very high5 Ų557.6 Ų57.63%0.02734%0.339CS..EExtended strand (participates in β ladder)trans-143.9143-175.9-58.8-65.7000110.6Y38 R39 T40 Y99 S103 R107Y38-D49 HydrophobicContact CE2-CB 3.96Å; R39-D49 CarbonylContact C-O 3.18Å; R39-D49 VanDerWaalsContact CA-O 3.31Å; R39-D49 WeakPolarHBondContact CA-O 3.36Å; T40-D49 PolarHBondContact N-O 2.88Å; T40-D49 PolarHBondContact O-N 2.87Å; D49-Y99 WeakPolarHBondContact CB-OH 3.36Å; D49-Y99 VanDerWaalsContact OD2-CE1 3.28Å; D49-Y99 WeakPolarHBondContact OD2-CE1 3.45Å; D49-Y99 VanDerWaalsContact OD2-CZ 3.26Å; D49-Y99 PolarHBondContact OD2-OH 3.4Å; D49-S103 PolarHBondContact OD1-OG 2.79Å; D49-S103 VanDerWaalsContact OD1-OG 3.11Å; D49-S103 WeakPolarHBondContact OD2-CB 3.39Å; D49-S103 PolarHBondContact OD2-OG 3.09Å; D49-R107 IonicContact OD1-CZ 2.72Å; D49-R107 VanDerWaalsContact OD1-CZ 3.3Å; D49-R107 IonicContact OD1-NE 3.03Å; D49-R107 PolarHBondContact OD1-NE 3Å; D49-R107 IonicContact OD1-NH2 3.3Å; D49-R107 PolarHBondContact OD1-NH2 2.95Å; D49-R107 IonicContact OD2-NH2 3.54Å
50D96Very high91.4Very high30 Ų3055 Ų5516%0.1634%0.335CS..EExtended strand (participates in β ladder)trans-141.8117171.3-173.1-26.1000109.1R39 R52 T53 M54R39-D50 HydrophobicContact CB-CB 4.45Å; R39-D50 HydrophobicContact CG-CB 4.18Å; D50-R52 PolarHBondContact O-N 3.45Å; D50-R52 WeakPolarHBondContact OD1-CB 3.45Å; D50-R52 PolarHBondContact OD1-N 2.76Å; D50-R52 IonicContact OD1-NH1 3.74Å; D50-T53 PolarHBondContact O-N 3.18Å; D50-T53 PolarHBondContact O-OG1 2.99Å; D50-M54 WeakPolarHBondContact O-CB 3.46Å; D50-M54 PolarHBondContact O-N 2.79Å
51S94.9Very high91.1Very high3 Ų356 Ų562%0.02134%0.34CS..THydrogen-bonded Turntrans-66.4-10.6-175.772.50000114.4H37 Y38 K59H37-S51 WeakPolarHBondContact CA-OG 3.27Å; H37-S51 PolarHBondContact ND1-OG 2.81Å; Y38-S51 PolarHBondContact N-OG 2.99Å; Y38-S51 VanDerWaalsContact N-OG 3.07Å; Y38-S51 PolarHBondContact O-N 2.85Å; Y38-S51 PolarHBondContact O-OG 3.42Å; S51-K59 WeakPolarHBondContact CB-O 3.44Å; S51-K59 PolarHBondContact O-N 2.97Å
52R93.6Very high90.8Very high89 Ų8960.6 Ų60.634%0.33636%0.36SS..THydrogen-bonded Turntrans-81.9-24.3173.4-62.7179.4-170.776.5-3.5113.4H37 D50 S58 E154H37-R52 HydrophobicContact CB-CG 4.41Å; H37-R52 VanDerWaalsContact CB-NH2 3.26Å; D50-R52 PolarHBondContact O-N 3.45Å; D50-R52 WeakPolarHBondContact OD1-CB 3.45Å; D50-R52 PolarHBondContact OD1-N 2.76Å; D50-R52 IonicContact OD1-NH1 3.74Å; R52-S58 WeakPolarHBondContact O-CA 3.27Å; R52-E154 IonicContact CZ-OE2 3.51Å; R52-E154 IonicContact NE-OE2 2.76Å; R52-E154 IonicContact NH2-OE2 2.67Å; R52-E154 PolarHBondContact NH2-OE2 2.74Å
53T90.4Very high90.6Very high100 Ų10059.9 Ų59.961%0.61336%0.357SS*.THydrogen-bonded Turntrans-119.6-25.3-172.463.40000113.2D50 G55 G56D50-T53 PolarHBondContact O-N 3.18Å; D50-T53 PolarHBondContact O-OG1 2.99Å; T53-G55 PolarHBondContact O-N 2.62Å; T53-G56 PolarHBondContact O-N 3.06Å
54M86.6Confident90.4Very high35 Ų3557.4 Ų57.417%0.17234%0.338CS..G310 helixtrans-60.7131.1-178.3-173.1-178.352.900111.7Y38 D50 G56 L106 R107Y38-M54 VanDerWaalsContact OH-CE 3.27Å; Y38-M54 WeakPolarHBondContact OH-CE 3.46Å; D50-M54 WeakPolarHBondContact O-CB 3.46Å; D50-M54 PolarHBondContact O-N 2.79Å; M54-G56 VanDerWaalsContact C-N 3.26Å; M54-G56 PolarHBondContact O-N 2.92Å; M54-L106 HydrophobicContact CE-CB 4.24Å; M54-R107 HydrophobicContact CG-CG 4.38Å; M54-R107 HydrophobicContact SD-CB 4.28Å; M54-R107 HydrophobicContact SD-CG 3.61Å
55G77.3Confident90.2Very high34 Ų3452 Ų5235%0.35131%0.309SS..G310 helixtrans72.313.8-179.700000114.9T53 R57 S110T53-G55 PolarHBondContact O-N 2.62Å; G55-R57 PolarHBondContact O-N 3.04Å; G55-S110 WeakPolarHBondContact CA-OG 3.48Å; G55-S110 PolarHBondContact N-OG 3.24Å
56G79.5Confident89.8Confident83 Ų8351.4 Ų51.486%0.85630%0.303SS*.G310 helixtrans72.29.7176.800000114.5T53 M54T53-G56 PolarHBondContact O-N 3.06Å; M54-G56 VanDerWaalsContact C-N 3.26Å; M54-G56 PolarHBondContact O-N 2.92Å
57R79.4Confident89.1Confident113 Ų11351.1 Ų51.143%0.42630%0.295SS..SBendtrans-138.8140.1177.358.3-178.4177175.8-2110G55 K59 I109 S110G55-R57 PolarHBondContact O-N 3.04Å; R57-K59 PolarHBondContact O-N 2.79Å; R57-I109 PolarHBondContact NH2-O 3.01Å; R57-S110 VanDerWaalsContact CZ-O 3.23Å; R57-S110 PolarHBondContact NE-O 3.49Å; R57-S110 PolarHBondContact NH2-O 2.76Å
58S86.4Confident88.1Confident75 Ų7556.5 Ų56.552%0.52431%0.312SS..  trans-75.2109.8169.9-174.50000108.8H37 R52H37-S58 PolarHBondContact CE1-OG 3.07Å; R52-S58 WeakPolarHBondContact O-CA 3.27Å
59K88.3Confident87.3Confident106 Ų10658.2 Ų58.246%0.46132%0.32SS..  trans-130.1114177-173.2178.3178.2-177.10109.4S51 R57S51-K59 WeakPolarHBondContact CB-O 3.44Å; S51-K59 PolarHBondContact O-N 2.97Å; R57-K59 PolarHBondContact O-N 2.79Å
60P92.6Very high86.6Confident42 Ų4263.4 Ų63.427%0.27334%0.342SS..  trans-66.1156.6176.828.7-34.1000111.2V35 L156V35-P60 HydrophobicContact CG1-CB 3.76Å; V35-P60 HydrophobicContact CG1-CG 3.83Å; P60-L156 HydrophobicContact CB-CD1 3.86Å; P60-L156 HydrophobicContact CG-CD1 4.37Å
61M91.9Very high86.3Confident22 Ų2262 Ų6211%0.10833%0.334CS..EExtended strand (participates in β ladder)trans-78.5139.2171179.464.717700109.4V35 F36 Y38 F69 W74 L106V35-M61 WeakPolarHBondContact CA-O 3.41Å; F36-M61 HydrophobicContact CD2-CB 4.09Å; F36-M61 HydrophobicContact CE1-CB 4.38Å; F36-M61 HydrophobicContact CE1-CG 4.05Å; F36-M61 HydrophobicContact CE2-CB 3.78Å; F36-M61 HydrophobicContact CE2-CG 3.88Å; F36-M61 HydrophobicContact CZ-CB 3.95Å; F36-M61 HydrophobicContact CZ-CG 3.56Å; F36-M61 PolarHBondContact N-O 2.8Å; F36-M61 PolarHBondContact O-N 3.11Å; Y38-M61 HydrophobicContact CD1-CB 3.89Å; Y38-M61 HydrophobicContact CE1-CB 4.1Å; M61-F69 HydrophobicContact CE-CD2 4.47Å; M61-F69 HydrophobicContact CE-CE1 4.14Å; M61-F69 HydrophobicContact CE-CE2 3.71Å; M61-F69 HydrophobicContact CE-CZ 3.51Å; M61-W74 HydrophobicContact CE-CE3 4.26Å; M61-W74 HydrophobicContact CE-CZ3 3.88Å; M61-W74 HydrophobicContact CG-CE3 4.46Å; M61-W74 HydrophobicContact CG-CZ3 3.84Å; M61-W74 HydrophobicContact SD-CZ3 4.12Å; M61-L106 HydrophobicContact CE-CD2 4.29Å; M61-L106 HydrophobicContact SD-CD2 3.82Å
62E91.7Very high86Confident103 Ų10365.4 Ų65.448%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-112.6124.9169.5-55.2-169.9155.700108.7K33 V35K33-E62 WeakPolarHBondContact CE-OE1 3.33Å; K33-E62 VanDerWaalsContact CE-OE2 3.3Å; K33-E62 WeakPolarHBondContact CE-OE2 3.38Å; K33-E62 IonicContact NZ-OE1 2.89Å; K33-E62 PolarHBondContact NZ-OE1 3.48Å; K33-E62 IonicContact NZ-OE2 2.62Å; K33-E62 PolarHBondContact NZ-OE2 3.46Å; V35-E62 HydrophobicContact CG2-CG 4.4Å
63L91.4Very high86Confident5 Ų561.4 Ų61.43%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-126.1136.5178177.567.3000108.7K33 V34 F36 M65 F69 W74 E75K33-L63 CarbonylContact C-O 3.56Å; K33-L63 WeakPolarHBondContact CA-O 3.48Å; V34-L63 HydrophobicContact CG2-CB 3.74Å; V34-L63 HydrophobicContact CG2-CD2 4.24Å; V34-L63 HydrophobicContact CG2-CG 4.23Å; V34-L63 WeakPolarHBondContact CG2-O 3.4Å; V34-L63 PolarHBondContact N-O 3.07Å; V34-L63 PolarHBondContact O-N 2.81Å; F36-L63 HydrophobicContact CE1-CB 3.86Å; F36-L63 HydrophobicContact CE1-CD2 4.16Å; F36-L63 HydrophobicContact CZ-CB 4.5Å; L63-M65 HydrophobicContact CD2-SD 4.4Å; L63-F69 HydrophobicContact CD1-CB 3.54Å; L63-F69 HydrophobicContact CD1-CD1 4.15Å; L63-F69 HydrophobicContact CD1-CD2 4.17Å; L63-F69 HydrophobicContact CD1-CG 3.71Å; L63-W74 HydrophobicContact CD2-CB 4.36Å; L63-E75 HydrophobicContact CD1-CG 4.25Å; L63-E75 HydrophobicContact CD2-CG 3.93Å; L63-E75 HydrophobicContact CG-CG 4.35Å
64I90.1Very high86.2Confident26 Ų2656.6 Ų56.613%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-110.6118.5176-60.9148.2000107.8T32 K33 K67 F164 L166 A170T32-I64 WeakPolarHBondContact O-CA 3.28Å; K33-I64 HydrophobicContact CB-CG1 4.31Å; I64-K67 HydrophobicContact CB-CG 3.9Å; I64-K67 HydrophobicContact CG2-CG 3.69Å; I64-K67 PolarHBondContact O-N 3.16Å; I64-F164 HydrophobicContact CG1-CE2 4.38Å; I64-F164 HydrophobicContact CG1-CZ 4.46Å; I64-L166 HydrophobicContact CD1-CD2 3.24Å; I64-L166 HydrophobicContact CG1-CD2 4.06Å; I64-L166 HydrophobicContact CG2-CD2 4.44Å; I64-A170 HydrophobicContact CD1-CB 3.87Å
65M89.2Confident86.4Confident8 Ų856.5 Ų56.54%0.03932%0.317CS..THydrogen-bonded Turntrans-62.5137.4-175.1-59.2-56.4-6300111.3F28 G31 T32 V34 L63 K67 E75 I79F28-M65 HydrophobicContact CB-CG 4.18Å; G31-M65 PolarHBondContact N-O 3.24Å; T32-M65 WeakPolarHBondContact O-CG 3.42Å; T32-M65 PolarHBondContact O-N 3.04Å; V34-M65 HydrophobicContact CG2-SD 4.19Å; L63-M65 HydrophobicContact CD2-SD 4.4Å; M65-K67 VanDerWaalsContact C-N 3.32Å; M65-K67 PolarHBondContact O-N 3.17Å; M65-E75 HydrophobicContact CE-CB 3.92Å; M65-E75 HydrophobicContact CE-CG 4.26Å; M65-E75 HydrophobicContact SD-CG 4.37Å; M65-I79 HydrophobicContact CE-CB 4.22Å
66G83.6Confident87Confident34 Ų3458.3 Ų58.335%0.35131%0.314SS..THydrogen-bonded Turntrans82.81.6176.900000115K68 E75G66-K68 VanDerWaalsContact C-N 3.27Å; G66-E75 PolarHBondContact N-OE2 3.38Å
67K80.6Confident87.7Confident65 Ų6554.4 Ų54.428%0.28327%0.273SS..SBendtrans-84.53.4173.9-63.4-67.2-174176.10113.5I64 M65 A170 E175I64-K67 HydrophobicContact CB-CG 3.9Å; I64-K67 HydrophobicContact CG2-CG 3.69Å; I64-K67 PolarHBondContact O-N 3.16Å; M65-K67 VanDerWaalsContact C-N 3.32Å; M65-K67 PolarHBondContact O-N 3.17Å; K67-A170 WeakPolarHBondContact CE-O 3.25Å; K67-A170 PolarHBondContact NZ-O 3.42Å; K67-E175 IonicContact NZ-OE1 2.83Å; K67-E175 PolarHBondContact NZ-OE1 2.67Å; K67-E175 IonicContact NZ-OE2 2.72Å; K67-E175 PolarHBondContact NZ-OE2 2.8Å
68K75.3Confident88.3Confident191 Ų19149 Ų4983%0.8325%0.253SS*.  trans54.458.8179.9-60-178.2179.4179.50111.3G66 E75G66-K68 VanDerWaalsContact C-N 3.27Å; K68-E75 WeakPolarHBondContact CA-OE1 3.41Å; K68-E75 PolarHBondContact N-OE1 3.28Å
69F79.6Confident88.4Confident54 Ų5447.9 Ų47.924%0.23724%0.24CC..  trans-53145.9176-177.8-114000111.4M61 L63 L71 A72 W74 E75 V102M61-F69 HydrophobicContact CE-CD2 4.47Å; M61-F69 HydrophobicContact CE-CE1 4.14Å; M61-F69 HydrophobicContact CE-CE2 3.71Å; M61-F69 HydrophobicContact CE-CZ 3.51Å; L63-F69 HydrophobicContact CD1-CB 3.54Å; L63-F69 HydrophobicContact CD1-CD1 4.15Å; L63-F69 HydrophobicContact CD1-CD2 4.17Å; L63-F69 HydrophobicContact CD1-CG 3.71Å; F69-L71 HydrophobicContact CD1-CB 3.84Å; F69-L71 HydrophobicContact CE1-CB 3.7Å; F69-L71 CarbonylContact O-C 3.6Å; F69-L71 PolarHBondContact O-N 2.94Å; F69-A72 PolarHBondContact O-N 2.84Å; F69-W74 HydrophobicContact CD1-CE3 4.44Å; F69-W74 HydrophobicContact CE1-CD2 4.4Å; F69-W74 AromaticContact CE1-CE3 3.79Å; F69-W74 HydrophobicContact CE1-CE3 3.79Å; F69-W74 HydrophobicContact CE1-CZ3 4.26Å; F69-W74 HydrophobicContact CZ-CE3 4.5Å; F69-E75 PolarHBondContact N-OE1 2.61Å; F69-V102 HydrophobicContact CE1-CG1 4Å; F69-V102 HydrophobicContact CZ-CG1 3.8Å
70K81.4Confident88.6Confident113 Ų11343.3 Ų43.349%0.49122%0.221SC..SBendtrans-52.5-27.8-175.5-73.8-173.9179.1-179.90113.2V102K70-V102 HydrophobicContact CB-CG2 3.73Å
71L89Confident88.6Confident2 Ų241.3 Ų41.31%0.0121%0.208CC..SBendtrans-107.584.2173.7-168.161000110.7F69 V73 W74 H95 Y99 V102 F151F69-L71 HydrophobicContact CD1-CB 3.84Å; F69-L71 HydrophobicContact CE1-CB 3.7Å; F69-L71 CarbonylContact O-C 3.6Å; F69-L71 PolarHBondContact O-N 2.94Å; L71-V73 HydrophobicContact CD1-CG1 3.89Å; L71-V73 HydrophobicContact CD2-CG1 4.48Å; L71-V73 HydrophobicContact CG-CG1 3.79Å; L71-V73 PolarHBondContact O-N 2.95Å; L71-V73 VanDerWaalsContact O-N 3.12Å; L71-W74 HydrophobicContact CD2-CD2 3.94Å; L71-W74 HydrophobicContact CD2-CG 3.94Å; L71-W74 HydrophobicContact CD2-CZ2 4.23Å; L71-W74 HydrophobicContact CG-CG 4.28Å; L71-W74 PolarHBondContact O-N 2.8Å; L71-H95 WeakPolarHBondContact CD1-O 3.04Å; L71-Y99 HydrophobicContact CD2-CD2 3.72Å; L71-Y99 HydrophobicContact CD2-CE2 4.3Å; L71-V102 HydrophobicContact CB-CG1 4.36Å; L71-V102 HydrophobicContact CB-CG2 4.19Å; L71-V102 HydrophobicContact CD2-CG1 4.5Å; L71-F151 HydrophobicContact CD2-CZ 4.29Å
72A88.8Confident88.6Confident73 Ų7343.8 Ų43.860%0.60322%0.217SC*.Hα-helixtrans-57-30.4-173.200000114.3F69 W74 E75 R76F69-A72 PolarHBondContact O-N 2.84Å; A72-W74 PolarHBondContact O-N 2.79Å; A72-E75 PolarHBondContact O-N 2.92Å; A72-R76 PolarHBondContact O-N 3.18Å
73V93.3Very high88.6Confident5 Ų543.3 Ų43.33%0.0321%0.214CC..Hα-helixtrans-61-27178.864.20000112.7I13 L71 R76 I77 C91 H95 F151I13-V73 HydrophobicContact CD1-CG2 3.72Å; I13-V73 HydrophobicContact CG1-CG2 4.35Å; L71-V73 HydrophobicContact CD1-CG1 3.89Å; L71-V73 HydrophobicContact CD2-CG1 4.48Å; L71-V73 HydrophobicContact CG-CG1 3.79Å; L71-V73 PolarHBondContact O-N 2.95Å; L71-V73 VanDerWaalsContact O-N 3.12Å; V73-R76 WeakPolarHBondContact O-CB 3.3Å; V73-R76 PolarHBondContact O-N 2.84Å; V73-I77 HydrophobicContact CG2-CG2 4.1Å; V73-I77 WeakPolarHBondContact O-CG1 3.41Å; V73-I77 WeakPolarHBondContact O-CG2 3.2Å; V73-I77 PolarHBondContact O-N 2.84Å; V73-C91 HydrophobicContact CG2-CB 4.39Å; V73-H95 HydrophobicContact CB-CB 3.87Å; V73-H95 HydrophobicContact CG1-CB 4.07Å; V73-H95 HydrophobicContact CG2-CB 3.94Å; V73-F151 HydrophobicContact CG1-CE2 4.04Å
74W94Very high88.7Confident0 Ų044.9 Ų44.90%023%0.232CC..Hα-helixtrans-66.1-42.8177.5-81.114.7000112.8F36 Y38 M61 L63 F69 L71 A72 R76 I77 V78 Y99 L106 F151F36-W74 HydrophobicContact CE2-CE3 4.21Å; F36-W74 HydrophobicContact CE2-CZ3 4.17Å; F36-W74 HydrophobicContact CZ-CD2 4.47Å; F36-W74 AromaticContact CZ-CE3 3.81Å; F36-W74 HydrophobicContact CZ-CE3 3.81Å; F36-W74 HydrophobicContact CZ-CZ3 4.09Å; Y38-W74 AromaticContact CD1-CH2 3.74Å; Y38-W74 HydrophobicContact CD1-CH2 3.74Å; Y38-W74 HydrophobicContact CD1-CZ3 4.31Å; Y38-W74 AromaticContact CD2-CH2 3.81Å; Y38-W74 HydrophobicContact CD2-CH2 3.81Å; Y38-W74 AromaticContact CD2-CZ2 3.91Å; Y38-W74 HydrophobicContact CD2-CZ2 3.91Å; Y38-W74 AromaticContact CE1-CH2 3.82Å; Y38-W74 HydrophobicContact CE1-CH2 3.82Å; Y38-W74 HydrophobicContact CE1-CZ3 4.42Å; Y38-W74 AromaticContact CE2-CH2 3.9Å; Y38-W74 HydrophobicContact CE2-CH2 3.9Å; Y38-W74 HydrophobicContact CE2-CZ2 4.25Å; Y38-W74 AromaticContact CG-CH2 3.75Å; Y38-W74 HydrophobicContact CG-CH2 3.75Å; Y38-W74 HydrophobicContact CG-CZ2 4.08Å; Y38-W74 AromaticContact CZ-CH2 3.93Å; M61-W74 HydrophobicContact CE-CE3 4.26Å; M61-W74 HydrophobicContact CE-CZ3 3.88Å; M61-W74 HydrophobicContact CG-CE3 4.46Å; M61-W74 HydrophobicContact CG-CZ3 3.84Å; M61-W74 HydrophobicContact SD-CZ3 4.12Å; L63-W74 HydrophobicContact CD2-CB 4.36Å; F69-W74 HydrophobicContact CD1-CE3 4.44Å; F69-W74 HydrophobicContact CE1-CD2 4.4Å; F69-W74 AromaticContact CE1-CE3 3.79Å; F69-W74 HydrophobicContact CE1-CE3 3.79Å; F69-W74 HydrophobicContact CE1-CZ3 4.26Å; F69-W74 HydrophobicContact CZ-CE3 4.5Å; L71-W74 HydrophobicContact CD2-CD2 3.94Å; L71-W74 HydrophobicContact CD2-CG 3.94Å; L71-W74 HydrophobicContact CD2-CZ2 4.23Å; L71-W74 HydrophobicContact CG-CG 4.28Å; L71-W74 PolarHBondContact O-N 2.8Å; A72-W74 PolarHBondContact O-N 2.79Å; W74-R76 PolarHBondContact O-N 2.92Å; W74-I77 WeakPolarHBondContact O-CG1 3.32Å; W74-I77 PolarHBondContact O-N 2.99Å; W74-V78 VanDerWaalsContact O-CB 3.22Å; W74-V78 WeakPolarHBondContact O-CB 3.39Å; W74-V78 VanDerWaalsContact O-CG2 3.22Å; W74-V78 WeakPolarHBondContact O-CG2 3.4Å; W74-V78 PolarHBondContact O-N 3.32Å; W74-Y99 HydrophobicContact CZ2-CE2 4.3Å; W74-L106 HydrophobicContact CH2-CD1 3.91Å; W74-L106 HydrophobicContact CZ3-CD1 4.3Å; W74-F151 AromaticContact NE1-CD1 3.6Å; W74-F151 AromaticContact NE1-CD2 3.96Å; W74-F151 AromaticContact NE1-CE1 3.63Å; W74-F151 AromaticContact NE1-CE2 4Å; W74-F151 AromaticContact NE1-CG 3.77Å; W74-F151 AromaticContact NE1-CZ 3.84Å
75E91.3Very high89Confident32 Ų3244 Ų4415%0.1523%0.227CC..Hα-helixtrans-61.3-39173-69.5-173.2-141.400110.5L63 M65 G66 K68 F69 A72 I79L63-E75 HydrophobicContact CD1-CG 4.25Å; L63-E75 HydrophobicContact CD2-CG 3.93Å; L63-E75 HydrophobicContact CG-CG 4.35Å; M65-E75 HydrophobicContact CE-CB 3.92Å; M65-E75 HydrophobicContact CE-CG 4.26Å; M65-E75 HydrophobicContact SD-CG 4.37Å; G66-E75 PolarHBondContact N-OE2 3.38Å; K68-E75 WeakPolarHBondContact CA-OE1 3.41Å; K68-E75 PolarHBondContact N-OE1 3.28Å; F69-E75 PolarHBondContact N-OE1 2.61Å; A72-E75 PolarHBondContact O-N 2.92Å; E75-I79 PolarHBondContact O-N 3.12Å
76R90.2Very high89.4Confident73 Ų7345.5 Ų45.528%0.27524%0.237SC..Hα-helixtrans-67.3-37.2-178.6-168.655.2158.9158.7-2.2113.9E4 L8 E11 I13 A72 V73 W74 I79E4-R76 IonicContact OE1-CZ 3.8Å; E4-R76 IonicContact OE1-NH1 3.35Å; E4-R76 PolarHBondContact OE1-NH1 3.16Å; E4-R76 IonicContact OE1-NH2 3.48Å; L8-R76 HydrophobicContact CD2-CG 3.8Å; E11-R76 IonicContact OE1-CZ 2.99Å; E11-R76 IonicContact OE1-NE 3.78Å; E11-R76 PolarHBondContact OE1-NE 3.06Å; E11-R76 IonicContact OE1-NH2 3.59Å; E11-R76 PolarHBondContact OE1-NH2 3.44Å; E11-R76 IonicContact OE2-CZ 3.94Å; E11-R76 IonicContact OE2-NE 2.79Å; E11-R76 PolarHBondContact OE2-NE 3.43Å; E11-R76 IonicContact OE2-NH2 2.71Å; I13-R76 HydrophobicContact CD1-CG 4.24Å; A72-R76 PolarHBondContact O-N 3.18Å; V73-R76 WeakPolarHBondContact O-CB 3.3Å; V73-R76 PolarHBondContact O-N 2.84Å; W74-R76 PolarHBondContact O-N 2.92Å; R76-I79 WeakPolarHBondContact O-CG2 3.45Å
77I92.8Very high90Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-82.3-39.6178.464.3-172.3000111.7I13 V73 W74 I79 T80 F89 F151 I153I13-I77 HydrophobicContact CD1-CG2 4.46Å; I13-I77 HydrophobicContact CG2-CG2 3.74Å; V73-I77 HydrophobicContact CG2-CG2 4.1Å; V73-I77 WeakPolarHBondContact O-CG1 3.41Å; V73-I77 WeakPolarHBondContact O-CG2 3.2Å; V73-I77 PolarHBondContact O-N 2.84Å; W74-I77 WeakPolarHBondContact O-CG1 3.32Å; W74-I77 PolarHBondContact O-N 2.99Å; I77-I79 PolarHBondContact O-N 2.91Å; I77-T80 PolarHBondContact O-N 2.76Å; I77-T80 VanDerWaalsContact O-N 3.16Å; I77-T80 PolarHBondContact O-OG1 2.86Å; I77-F89 HydrophobicContact CB-CB 4.5Å; I77-F89 HydrophobicContact CB-CD1 3.54Å; I77-F89 HydrophobicContact CB-CD2 4.11Å; I77-F89 HydrophobicContact CB-CE1 3.57Å; I77-F89 HydrophobicContact CB-CE2 4.16Å; I77-F89 HydrophobicContact CB-CG 3.8Å; I77-F89 HydrophobicContact CB-CZ 3.89Å; I77-F89 HydrophobicContact CD1-CB 4.15Å; I77-F89 HydrophobicContact CD1-CD2 3.94Å; I77-F89 HydrophobicContact CD1-CE2 4.49Å; I77-F89 HydrophobicContact CD1-CG 4.01Å; I77-F89 HydrophobicContact CG1-CD2 4.3Å; I77-F89 HydrophobicContact CG1-CE2 4.42Å; I77-F89 HydrophobicContact CG1-CG 4.36Å; I77-F89 HydrophobicContact CG2-CB 4.13Å; I77-F89 HydrophobicContact CG2-CD1 3.56Å; I77-F89 HydrophobicContact CG2-CE1 4.04Å; I77-F89 HydrophobicContact CG2-CG 3.88Å; I77-F151 HydrophobicContact CD1-CB 4.22Å; I77-F151 HydrophobicContact CD1-CD2 4.1Å; I77-F151 HydrophobicContact CD1-CG 4.48Å; I77-I153 HydrophobicContact CD1-CD1 3.5Å; I77-I153 VanDerWaalsContact CD1-CD1 3.5Å; I77-I153 HydrophobicContact CG1-CD1 3.89Å
78V92.4Very high90.8Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-65.5-39-176.4164.70000111.8F28 V34 F36 W74 T80 M81 I153 M155F28-V78 HydrophobicContact CD2-CG1 4.34Å; F28-V78 HydrophobicContact CE2-CG1 3.91Å; F28-V78 VanDerWaalsContact CE2-O 3.26Å; F28-V78 WeakPolarHBondContact CE2-O 3.4Å; V34-V78 HydrophobicContact CB-CG1 4.11Å; V34-V78 HydrophobicContact CG1-CG1 4.13Å; V34-V78 HydrophobicContact CG2-CG1 3.68Å; F36-V78 HydrophobicContact CD1-CG2 4.35Å; F36-V78 HydrophobicContact CE1-CG2 4.01Å; F36-V78 HydrophobicContact CZ-CG2 4.31Å; W74-V78 VanDerWaalsContact O-CB 3.22Å; W74-V78 WeakPolarHBondContact O-CB 3.39Å; W74-V78 VanDerWaalsContact O-CG2 3.22Å; W74-V78 WeakPolarHBondContact O-CG2 3.4Å; W74-V78 PolarHBondContact O-N 3.32Å; V78-T80 PolarHBondContact O-N 2.81Å; V78-M81 WeakPolarHBondContact O-CB 3.3Å; V78-M81 PolarHBondContact O-N 3.44Å; V78-I153 HydrophobicContact CG2-CD1 3.97Å; V78-M155 HydrophobicContact CB-CE 4.37Å; V78-M155 HydrophobicContact CG1-CE 3.38Å; V78-M155 HydrophobicContact CG2-CE 4.34Å
79I89.9Confident91.9Very high51 Ų5134.3 Ų34.326%0.26218%0.179SC..THydrogen-bonded Turntrans-59.3-17.6177.1-164.4164.1000114F28 M65 E75 R76 I77F28-I79 HydrophobicContact CB-CD1 4.49Å; F28-I79 HydrophobicContact CB-CG1 4.17Å; F28-I79 HydrophobicContact CD2-CB 4.29Å; F28-I79 HydrophobicContact CD2-CG1 4.28Å; F28-I79 HydrophobicContact CG-CG1 4.49Å; M65-I79 HydrophobicContact CE-CB 4.22Å; E75-I79 PolarHBondContact O-N 3.12Å; R76-I79 WeakPolarHBondContact O-CG2 3.45Å; I77-I79 PolarHBondContact O-N 2.91Å
80T90.9Very high92.8Very high11 Ų1133 Ų337%0.06718%0.175CC..THydrogen-bonded Turntrans-87.9-5.8176.475.80000113.6E4 L8 K15 I77 V78E4-T80 HydrophobicContact CG-CG2 3.95Å; L8-T80 HydrophobicContact CD1-CG2 3.78Å; L8-T80 HydrophobicContact CG-CG2 4.42Å; K15-T80 VanDerWaalsContact NZ-C 3.34Å; K15-T80 PolarHBondContact NZ-O 2.88Å; K15-T80 PolarHBondContact NZ-OG1 3.31Å; I77-T80 PolarHBondContact O-N 2.76Å; I77-T80 VanDerWaalsContact O-N 3.16Å; I77-T80 PolarHBondContact O-OG1 2.86Å; V78-T80 PolarHBondContact O-N 2.81Å
81M92.6Very high93.5Very high0 Ų027.6 Ų27.60%015%0.152CC..PPolyproline II helixtrans-95.8156.5-173.8-61.2-17570.800112.4F28 V78 E85 A87 F89 I153 M155F28-M81 WeakPolarHBondContact CZ-O 3.06Å; V78-M81 WeakPolarHBondContact O-CB 3.3Å; V78-M81 PolarHBondContact O-N 3.44Å; M81-E85 WeakPolarHBondContact CA-OE2 3.47Å; M81-E85 HydrophobicContact CB-CB 4.47Å; M81-E85 HydrophobicContact CE-CB 4.06Å; M81-E85 HydrophobicContact CE-CG 4.15Å; M81-E85 VanDerWaalsContact CE-O 3.29Å; M81-E85 WeakPolarHBondContact CE-O 3.46Å; M81-A87 HydrophobicContact CE-CB 4.04Å; M81-F89 HydrophobicContact CG-CE2 4.23Å; M81-F89 HydrophobicContact CG-CZ 3.75Å; M81-F89 HydrophobicContact SD-CE2 3.69Å; M81-F89 HydrophobicContact SD-CZ 3.85Å; M81-I153 HydrophobicContact CE-CB 3.99Å; M81-I153 HydrophobicContact CE-CG2 3.78Å; M81-I153 WeakPolarHBondContact CE-O 3.42Å; M81-I153 HydrophobicContact SD-CB 3.84Å; M81-I153 HydrophobicContact SD-CG2 3.56Å; M81-I153 VanDerWaalsContact SD-CG2 3.56Å; M81-M155 HydrophobicContact CB-CE 4.32Å; M81-M155 HydrophobicContact CE-CB 4.01Å; M81-M155 HydrophobicContact SD-CE 4.37Å
82R91.8Very high93.8Very high74 Ų7430 Ų3028%0.27917%0.165SC..PPolyproline II helixtrans-102.3159.5169.5-62.3175.9-176.5-171.6-2111.4G23 L25 G84 E85 M155G23-R82 WeakPolarHBondContact O-CD 3.37Å; L25-R82 HydrophobicContact CD1-CG 4.22Å; R82-G84 PolarHBondContact O-N 2.88Å; R82-E85 HydrophobicContact CB-CB 4.3Å; R82-E85 PolarHBondContact N-OE2 3.14Å; R82-E85 WeakPolarHBondContact O-CB 3.39Å; R82-E85 PolarHBondContact O-N 3.28Å; R82-M155 VanDerWaalsContact O-CB 3.29Å; R82-M155 WeakPolarHBondContact O-CB 3.42Å; R82-M155 VanDerWaalsContact O-CG 3.32Å; R82-M155 WeakPolarHBondContact O-CG 3.41Å
83Q92.8Very high94Very high92 Ų9228.9 Ų28.943%0.4315%0.151SC..BIsolated β-bridgetrans-60.7131172.1-168.7177.3-7.400110.5G21 K22 E85 L156 V158G21-Q83 CarbonylContact C-O 3.56Å; G21-Q83 VanDerWaalsContact CA-O 3.29Å; G21-Q83 WeakPolarHBondContact CA-O 3.45Å; K22-Q83 PolarHBondContact N-O 2.86Å; Q83-E85 VanDerWaalsContact C-N 3.28Å; Q83-E85 PolarHBondContact O-N 2.89Å; Q83-L156 VanDerWaalsContact CG-O 3.3Å; Q83-L156 WeakPolarHBondContact CG-O 3.23Å; Q83-L156 PolarHBondContact NE2-O 3.09Å; Q83-V158 HydrophobicContact CB-CG2 4.28Å
84G93.9Very high94Very high38 Ų3835 Ų3539%0.39218%0.177SC..THydrogen-bonded Turntrans78.91-173.500000115R82 M155R82-G84 PolarHBondContact O-N 2.88Å; G84-M155 WeakPolarHBondContact CA-O 3.41Å; G84-M155 PolarHBondContact N-O 3.22Å
85E95.9Very high94Very high7 Ų737.2 Ų37.23%0.03319%0.187CC..  trans-73.2139.2177.4-172.3178.4134.200111.3K15 V17 S19 M81 R82 Q83 A87 M155K15-E85 WeakPolarHBondContact CE-OE1 3.48Å; K15-E85 IonicContact NZ-OE1 2.8Å; K15-E85 PolarHBondContact NZ-OE1 3.32Å; K15-E85 IonicContact NZ-OE2 3.21Å; V17-E85 HydrophobicContact CG1-CG 4.32Å; S19-E85 WeakPolarHBondContact O-CA 3.23Å; S19-E85 WeakPolarHBondContact O-CG 3.32Å; M81-E85 WeakPolarHBondContact CA-OE2 3.47Å; M81-E85 HydrophobicContact CB-CB 4.47Å; M81-E85 HydrophobicContact CE-CB 4.06Å; M81-E85 HydrophobicContact CE-CG 4.15Å; M81-E85 VanDerWaalsContact CE-O 3.29Å; M81-E85 WeakPolarHBondContact CE-O 3.46Å; R82-E85 HydrophobicContact CB-CB 4.3Å; R82-E85 PolarHBondContact N-OE2 3.14Å; R82-E85 WeakPolarHBondContact O-CB 3.39Å; R82-E85 PolarHBondContact O-N 3.28Å; Q83-E85 VanDerWaalsContact C-N 3.28Å; Q83-E85 PolarHBondContact O-N 2.89Å; E85-A87 HydrophobicContact CG-CB 4.42Å; E85-M155 PolarHBondContact O-N 2.73Å
86V97.3Very high94.1Very high41 Ų4135.8 Ų35.825%0.24818%0.181CC..EExtended strand (participates in β ladder)trans-112.4119.6166.7-173.30000107.9I18 S19 I153 E154I18-V86 WeakPolarHBondContact CA-O 3.31Å; I18-V86 HydrophobicContact CB-CB 4.31Å; I18-V86 HydrophobicContact CB-CG1 4.08Å; I18-V86 WeakPolarHBondContact CB-O 3.42Å; I18-V86 HydrophobicContact CG2-CG1 4.47Å; I18-V86 PolarHBondContact N-O 3.49Å; S19-V86 PolarHBondContact N-O 3.31Å; S19-V86 PolarHBondContact O-N 3.19Å; V86-I153 WeakPolarHBondContact CA-O 3.46Å; V86-E154 HydrophobicContact CG2-CB 4.2Å; V86-E154 HydrophobicContact CG2-CG 4.03Å
87A96.9Very high94Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-139.2150.2-179.900000111.7K16 M81 E85 F89 A152 I153K16-A87 CarbonylContact O-C 3.56Å; K16-A87 WeakPolarHBondContact O-CA 3.16Å; M81-A87 HydrophobicContact CE-CB 4.04Å; E85-A87 HydrophobicContact CG-CB 4.42Å; A87-F89 HydrophobicContact CB-CE2 3.7Å; A87-F89 HydrophobicContact CB-CZ 3.86Å; A87-A152 WeakPolarHBondContact O-CA 3.16Å; A87-I153 PolarHBondContact N-O 2.98Å; A87-I153 PolarHBondContact O-N 2.86Å
88E97.6Very high93.9Very high54 Ų5439.5 Ų39.525%0.25221%0.213SC..EExtended strand (participates in β ladder)trans-109.8132.9175.4-171.4176.691.900109.6K15 K16 I18 V150 F151K15-E88 CarbonylContact C-O 3.49Å; K15-E88 WeakPolarHBondContact CA-O 3.17Å; K16-E88 HydrophobicContact CB-CB 4.5Å; K16-E88 PolarHBondContact N-O 2.81Å; K16-E88 PolarHBondContact O-N 3.37Å; I18-E88 HydrophobicContact CD1-CB 4.47Å; I18-E88 HydrophobicContact CG1-CB 4.43Å; E88-V150 VanDerWaalsContact CD-CG1 3.46Å; E88-V150 HydrophobicContact CG-CG1 3.25Å; E88-F151 CarbonylContact C-O 3.58Å; E88-F151 WeakPolarHBondContact CA-O 3.22Å
89F97.5Very high94Very high0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans-122.5110.6-178.2-59-90.7000109.8I13 R14 K15 I77 M81 A87 V150 F151 I153I13-F89 HydrophobicContact CG2-CD1 4.4Å; R14-F89 CarbonylContact O-C 3.38Å; R14-F89 VanDerWaalsContact O-CA 3.32Å; R14-F89 WeakPolarHBondContact O-CA 3.4Å; K15-F89 HydrophobicContact CB-CD1 3.82Å; K15-F89 HydrophobicContact CB-CE1 3.77Å; K15-F89 HydrophobicContact CD-CD1 4.42Å; K15-F89 HydrophobicContact CD-CE1 3.52Å; K15-F89 HydrophobicContact CD-CZ 3.99Å; K15-F89 HydrophobicContact CG-CD1 3.88Å; K15-F89 HydrophobicContact CG-CE1 3.41Å; K15-F89 VanDerWaalsContact CG-CE1 3.41Å; K15-F89 HydrophobicContact CG-CZ 4.02Å; I77-F89 HydrophobicContact CB-CB 4.5Å; I77-F89 HydrophobicContact CB-CD1 3.54Å; I77-F89 HydrophobicContact CB-CD2 4.11Å; I77-F89 HydrophobicContact CB-CE1 3.57Å; I77-F89 HydrophobicContact CB-CE2 4.16Å; I77-F89 HydrophobicContact CB-CG 3.8Å; I77-F89 HydrophobicContact CB-CZ 3.89Å; I77-F89 HydrophobicContact CD1-CB 4.15Å; I77-F89 HydrophobicContact CD1-CD2 3.94Å; I77-F89 HydrophobicContact CD1-CE2 4.49Å; I77-F89 HydrophobicContact CD1-CG 4.01Å; I77-F89 HydrophobicContact CG1-CD2 4.3Å; I77-F89 HydrophobicContact CG1-CE2 4.42Å; I77-F89 HydrophobicContact CG1-CG 4.36Å; I77-F89 HydrophobicContact CG2-CB 4.13Å; I77-F89 HydrophobicContact CG2-CD1 3.56Å; I77-F89 HydrophobicContact CG2-CE1 4.04Å; I77-F89 HydrophobicContact CG2-CG 3.88Å; M81-F89 HydrophobicContact CG-CE2 4.23Å; M81-F89 HydrophobicContact CG-CZ 3.75Å; M81-F89 HydrophobicContact SD-CE2 3.69Å; M81-F89 HydrophobicContact SD-CZ 3.85Å; A87-F89 HydrophobicContact CB-CE2 3.7Å; A87-F89 HydrophobicContact CB-CZ 3.86Å; F89-V150 WeakPolarHBondContact O-CA 3.26Å; F89-F151 HydrophobicContact CB-CB 4.45Å; F89-F151 PolarHBondContact N-O 2.86Å; F89-F151 PolarHBondContact O-N 2.83Å; F89-I153 HydrophobicContact CD2-CD1 4.35Å; F89-I153 HydrophobicContact CD2-CG1 4.45Å; F89-I153 HydrophobicContact CE2-CB 4.36Å; F89-I153 HydrophobicContact CE2-CD1 4.32Å; F89-I153 HydrophobicContact CE2-CG1 4.48Å
90T97.4Very high94.1Very high26 Ų2637.2 Ų37.216%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-86.4116.2169.3-49.40000108.9I13 R14 V150I13-T90 WeakPolarHBondContact CA-O 3.33Å; R14-T90 PolarHBondContact N-O 2.75Å; R14-T90 PolarHBondContact O-N 3.29Å; T90-V150 HydrophobicContact CG2-CG2 4.35Å
91C96.8Very high94.1Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-114.8130.4-176.1-56.70000110.8V73 H95 T96 P148 L149 F151V73-C91 HydrophobicContact CG2-CB 4.39Å; C91-H95 HydrophobicContact CB-CB 4.22Å; C91-T96 HydrophobicContact CB-CG2 4.06Å; C91-P148 WeakPolarHBondContact O-CA 3.43Å; C91-P148 VanDerWaalsContact O-CB 3.32Å; C91-P148 WeakPolarHBondContact O-CB 3.4Å; C91-L149 PolarHBondContact N-O 3.03Å; C91-L149 PolarHBondContact O-N 2.78Å; C91-L149 VanDerWaalsContact O-N 3.09Å; C91-F151 HydrophobicContact CB-CD2 4.39Å; C91-F151 HydrophobicContact CB-CE2 4.03Å; C91-F151 VanDerWaalsContact SG-CD2 3.58Å
92D96Very high94Very high54 Ų5440.1 Ų40.129%0.28922%0.216SC..  trans-62.4158.7176.2-70.9-12.7000112.9G12 K94 H95G12-D92 VanDerWaalsContact CA-OD2 3.23Å; G12-D92 WeakPolarHBondContact CA-OD2 3.37Å; G12-D92 VanDerWaalsContact O-CG 3.24Å; G12-D92 PolarHBondContact O-N 3.14Å; D92-K94 HydrophobicContact CB-CG 4.41Å; D92-K94 PolarHBondContact O-N 3.25Å; D92-H95 WeakPolarHBondContact O-CB 3.29Å; D92-H95 PolarHBondContact O-N 3.29Å
93T93.6Very high94.1Very high48 Ų4836.6 Ų36.629%0.29420%0.203SC..Hα-helixtrans-50.9-33.3-175-51.40000114.5H95 T96 A97 P146 P148T93-H95 PolarHBondContact O-N 3.04Å; T93-H95 VanDerWaalsContact O-N 3.13Å; T93-T96 WeakPolarHBondContact CA-OG1 3.45Å; T93-T96 PolarHBondContact O-N 3.11Å; T93-T96 VanDerWaalsContact O-N 3.1Å; T93-T96 PolarHBondContact O-OG1 2.88Å; T93-A97 PolarHBondContact O-N 3.27Å; T93-P146 VanDerWaalsContact CG2-C 3.45Å; T93-P146 HydrophobicContact CG2-CB 3.51Å; T93-P146 WeakPolarHBondContact CG2-O 3.42Å; T93-P148 VanDerWaalsContact OG1-CD 3.3Å; T93-P148 WeakPolarHBondContact OG1-CD 3.22Å
94K92.6Very high94Very high134 Ų13432.4 Ų32.458%0.58318%0.184SC*.Hα-helixtrans-59.3-24.7178.968-175-179.2-174.30113.5E11 D92E11-K94 WeakPolarHBondContact O-CE 3.43Å; E11-K94 PolarHBondContact O-NZ 2.83Å; D92-K94 HydrophobicContact CB-CG 4.41Å; D92-K94 PolarHBondContact O-N 3.25Å
95H93.1Very high93.8Very high46 Ų4631.2 Ų31.221%0.21317%0.169CC..Hα-helixtrans-94.8-18.5179.4-65.1-59.3000113.4E11 L71 V73 C91 D92 T93E11-H95 PolarHBondContact O-NE2 2.82Å; L71-H95 WeakPolarHBondContact CD1-O 3.04Å; V73-H95 HydrophobicContact CB-CB 3.87Å; V73-H95 HydrophobicContact CG1-CB 4.07Å; V73-H95 HydrophobicContact CG2-CB 3.94Å; C91-H95 HydrophobicContact CB-CB 4.22Å; D92-H95 WeakPolarHBondContact O-CB 3.29Å; D92-H95 PolarHBondContact O-N 3.29Å; T93-H95 PolarHBondContact O-N 3.04Å; T93-H95 VanDerWaalsContact O-N 3.13Å
96T93.5Very high93.5Very high3 Ų331.7 Ų31.72%0.01817%0.172CC..Hα-helixtrans-108.6-7.5-167.861.90000113.4C91 T93 L98 Y99 Q147 L149 F151C91-T96 HydrophobicContact CB-CG2 4.06Å; T93-T96 WeakPolarHBondContact CA-OG1 3.45Å; T93-T96 PolarHBondContact O-N 3.11Å; T93-T96 VanDerWaalsContact O-N 3.1Å; T93-T96 PolarHBondContact O-OG1 2.88Å; T96-L98 PolarHBondContact O-N 3.3Å; T96-L98 VanDerWaalsContact O-N 3.13Å; T96-Y99 WeakPolarHBondContact O-CB 3.1Å; T96-Y99 PolarHBondContact O-N 2.87Å; T96-Q147 PolarHBondContact OG1-O 2.7Å; T96-L149 HydrophobicContact CG2-CB 3.65Å; T96-L149 HydrophobicContact CG2-CD1 3.89Å; T96-L149 HydrophobicContact CG2-CG 3.72Å; T96-F151 HydrophobicContact CG2-CE2 4.3Å; T96-F151 HydrophobicContact CG2-CZ 4.18Å
97A88.6Confident93.3Very high55 Ų5531.2 Ų31.246%0.45517%0.165SC..THydrogen-bonded Turntrans-55.7-32.4-177.600000114.2T93 P100T93-A97 PolarHBondContact O-N 3.27Å; A97-P100 WeakPolarHBondContact O-CD 3.25Å
98L89.9Confident92.9Very high96 Ų9632 Ų3250%0.50317%0.17SC..THydrogen-bonded Turntrans-87.4-4.2177.4-65.4177.6000113.7T96 P100 L101 V102T96-L98 PolarHBondContact O-N 3.3Å; T96-L98 VanDerWaalsContact O-N 3.13Å; L98-P100 VanDerWaalsContact C-CD 3.48Å; L98-L101 HydrophobicContact CD2-CD1 4.28Å; L98-L101 PolarHBondContact O-N 3.23Å; L98-V102 PolarHBondContact O-N 2.93Å
99Y94.4Very high92.3Very high0 Ų032.3 Ų32.30%017%0.173CC..Hα-helixtrans-56.9-42.1-177.7-172.7-96.2000113.6T40 L48 D49 L71 W74 T96 L101 V102 S103 L142 L149 F151T40-Y99 WeakPolarHBondContact CB-OH 3.33Å; T40-Y99 HydrophobicContact CG2-CD1 4.4Å; T40-Y99 HydrophobicContact CG2-CD2 4.49Å; T40-Y99 HydrophobicContact CG2-CE1 3.73Å; T40-Y99 HydrophobicContact CG2-CE2 3.84Å; T40-Y99 VanDerWaalsContact CG2-CZ 3.43Å; T40-Y99 VanDerWaalsContact OG1-CZ 3.32Å; T40-Y99 PolarHBondContact OG1-OH 3.21Å; L48-Y99 HydrophobicContact CB-CE1 4.49Å; L48-Y99 HydrophobicContact CD1-CD1 4.4Å; L48-Y99 HydrophobicContact CD1-CE1 4.08Å; D49-Y99 WeakPolarHBondContact CB-OH 3.36Å; D49-Y99 VanDerWaalsContact OD2-CE1 3.28Å; D49-Y99 WeakPolarHBondContact OD2-CE1 3.45Å; D49-Y99 VanDerWaalsContact OD2-CZ 3.26Å; D49-Y99 PolarHBondContact OD2-OH 3.4Å; L71-Y99 HydrophobicContact CD2-CD2 3.72Å; L71-Y99 HydrophobicContact CD2-CE2 4.3Å; W74-Y99 HydrophobicContact CZ2-CE2 4.3Å; T96-Y99 WeakPolarHBondContact O-CB 3.1Å; T96-Y99 PolarHBondContact O-N 2.87Å; Y99-L101 VanDerWaalsContact C-N 3.32Å; Y99-L101 PolarHBondContact O-N 3.13Å; Y99-V102 PolarHBondContact O-N 3Å; Y99-V102 VanDerWaalsContact O-N 3.14Å; Y99-S103 VanDerWaalsContact O-CB 3.3Å; Y99-S103 WeakPolarHBondContact O-CB 3.28Å; Y99-S103 PolarHBondContact O-N 3.27Å; Y99-L142 HydrophobicContact CD1-CD2 3.87Å; Y99-L149 HydrophobicContact CD1-CD1 3.56Å; Y99-L149 HydrophobicContact CD2-CD1 4.06Å; Y99-L149 HydrophobicContact CE1-CD1 4.3Å; Y99-L149 HydrophobicContact CG-CD1 3.44Å; Y99-L149 VanDerWaalsContact CG-CD1 3.44Å; Y99-F151 AromaticContact CD2-CE1 3.71Å; Y99-F151 HydrophobicContact CD2-CE1 3.71Å; Y99-F151 HydrophobicContact CD2-CZ 4.05Å; Y99-F151 AromaticContact CE2-CE1 3.66Å; Y99-F151 HydrophobicContact CE2-CE1 3.66Å; Y99-F151 HydrophobicContact CE2-CZ 4.45Å
100P93.2Very high91.8Very high3 Ų332.8 Ų32.82%0.01918%0.176CC..Hα-helixtrans-54.9-43.8178.6-27.636000113.7A97 L98 Q104 L134 L139 L142 Q143A97-P100 WeakPolarHBondContact O-CD 3.25Å; L98-P100 VanDerWaalsContact C-CD 3.48Å; P100-Q104 PolarHBondContact O-N 3.35Å; P100-L134 HydrophobicContact CB-CD1 3.54Å; P100-L139 HydrophobicContact CB-CB 4.31Å; P100-L142 HydrophobicContact CG-CB 4.19Å; P100-L142 HydrophobicContact CG-CD2 3.99Å; P100-L142 HydrophobicContact CG-CG 3.87Å; P100-Q143 HydrophobicContact CB-CB 4.13Å; P100-Q143 HydrophobicContact CG-CB 4.08Å
101L89.6Confident91.3Very high67 Ų6735.8 Ų35.835%0.35119%0.194SC..Hα-helixtrans-67.9-39.4179-62174.1000112L98 Y99 S105 Q119 L134L98-L101 HydrophobicContact CD2-CD1 4.28Å; L98-L101 PolarHBondContact O-N 3.23Å; Y99-L101 VanDerWaalsContact C-N 3.32Å; Y99-L101 PolarHBondContact O-N 3.13Å; L101-S105 PolarHBondContact O-N 2.89Å; L101-S105 PolarHBondContact O-OG 3.1Å; L101-Q119 PolarHBondContact O-NE2 3.13Å; L101-L134 HydrophobicContact CD2-CD1 4.46Å; L101-L134 HydrophobicContact CD2-CD2 3.71Å
102V91.6Very high90.6Very high4 Ų438.7 Ų38.72%0.02422%0.224CC..Hα-helixtrans-69.5-44.6178.1175.20000110.4F69 K70 L71 L98 Y99 Q104 S105 L106F69-V102 HydrophobicContact CE1-CG1 4Å; F69-V102 HydrophobicContact CZ-CG1 3.8Å; K70-V102 HydrophobicContact CB-CG2 3.73Å; L71-V102 HydrophobicContact CB-CG1 4.36Å; L71-V102 HydrophobicContact CB-CG2 4.19Å; L71-V102 HydrophobicContact CD2-CG1 4.5Å; L98-V102 PolarHBondContact O-N 2.93Å; Y99-V102 PolarHBondContact O-N 3Å; Y99-V102 VanDerWaalsContact O-N 3.14Å; V102-Q104 PolarHBondContact O-N 2.79Å; V102-S105 WeakPolarHBondContact O-CB 3.4Å; V102-S105 PolarHBondContact O-N 3.48Å; V102-S105 VanDerWaalsContact O-N 3.14Å; V102-L106 HydrophobicContact CG1-CD1 3.82Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.39Å; V102-L106 PolarHBondContact O-N 2.89Å
103S93.3Very high90Very high0 Ų040.9 Ų40.90%023%0.231CC..Hα-helixtrans-58.3-46.9175.2174.90000111.8D49 Y99 S105 L106 R107 L139D49-S103 PolarHBondContact OD1-OG 2.79Å; D49-S103 VanDerWaalsContact OD1-OG 3.11Å; D49-S103 WeakPolarHBondContact OD2-CB 3.39Å; D49-S103 PolarHBondContact OD2-OG 3.09Å; Y99-S103 VanDerWaalsContact O-CB 3.3Å; Y99-S103 WeakPolarHBondContact O-CB 3.28Å; Y99-S103 PolarHBondContact O-N 3.27Å; S103-S105 VanDerWaalsContact C-N 3.29Å; S103-S105 PolarHBondContact O-N 2.99Å; S103-L106 PolarHBondContact O-N 2.94Å; S103-L106 VanDerWaalsContact O-N 3.12Å; S103-R107 WeakPolarHBondContact O-CB 3.39Å; S103-R107 WeakPolarHBondContact O-CG 3.43Å; S103-R107 PolarHBondContact O-N 2.88Å; S103-R107 PolarHBondContact OG-NE 2.99Å; S103-L139 WeakPolarHBondContact OG-CD2 3.1Å
104Q91Very high89.1Confident5 Ų543.1 Ų43.12%0.02324%0.241CC..Hα-helixtrans-54.9-46.5174-174.7-169.147.500111.6P100 V102 L106 R107 N108 L134 L139P100-Q104 PolarHBondContact O-N 3.35Å; V102-Q104 PolarHBondContact O-N 2.79Å; Q104-L106 VanDerWaalsContact C-N 3.34Å; Q104-L106 PolarHBondContact O-N 3.43Å; Q104-R107 PolarHBondContact O-N 2.7Å; Q104-N108 PolarHBondContact O-N 3.21Å; Q104-L134 PolarHBondContact NE2-O 2.99Å; Q104-L139 HydrophobicContact CB-CD1 4.22Å
105S89.3Confident88.5Confident12 Ų1239.1 Ų39.18%0.08423%0.229CC..Hα-helixtrans-61.9-42.8178.8-48.50000111.3L101 V102 S103 N108 I109 P115 Q119L101-S105 PolarHBondContact O-N 2.89Å; L101-S105 PolarHBondContact O-OG 3.1Å; V102-S105 WeakPolarHBondContact O-CB 3.4Å; V102-S105 PolarHBondContact O-N 3.48Å; V102-S105 VanDerWaalsContact O-N 3.14Å; S103-S105 VanDerWaalsContact C-N 3.29Å; S103-S105 PolarHBondContact O-N 2.99Å; S105-N108 PolarHBondContact O-N 3.37Å; S105-I109 WeakPolarHBondContact O-CD1 3.47Å; S105-I109 VanDerWaalsContact O-CG1 3.25Å; S105-I109 WeakPolarHBondContact O-CG1 3.47Å; S105-I109 PolarHBondContact O-N 3.15Å; S105-P115 WeakPolarHBondContact CA-O 3.48Å; S105-P115 PolarHBondContact OG-O 3.35Å; S105-Q119 PolarHBondContact OG-NE2 2.79Å
106L90.9Very high87.7Confident17 Ų1741 Ų419%0.08924%0.24CC..Hα-helixtrans-67.3-38.9178.6-67.8170.6000112.2Y38 M54 M61 W74 V102 S103 Q104 I109 S110Y38-L106 HydrophobicContact CE1-CD1 4.46Å; Y38-L106 WeakPolarHBondContact OH-CD1 3.3Å; M54-L106 HydrophobicContact CE-CB 4.24Å; M61-L106 HydrophobicContact CE-CD2 4.29Å; M61-L106 HydrophobicContact SD-CD2 3.82Å; W74-L106 HydrophobicContact CH2-CD1 3.91Å; W74-L106 HydrophobicContact CZ3-CD1 4.3Å; V102-L106 HydrophobicContact CG1-CD1 3.82Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.39Å; V102-L106 PolarHBondContact O-N 2.89Å; S103-L106 PolarHBondContact O-N 2.94Å; S103-L106 VanDerWaalsContact O-N 3.12Å; Q104-L106 VanDerWaalsContact C-N 3.34Å; Q104-L106 PolarHBondContact O-N 3.43Å; L106-I109 PolarHBondContact O-N 3.49Å; L106-S110 WeakPolarHBondContact O-CB 3.41Å; L106-S110 PolarHBondContact O-N 3.01Å
107R91.6Very high86.8Confident31 Ų3144.9 Ų44.912%0.11726%0.258CS..Hα-helixtrans-62.8-45.4174.1-72.7176-176.3-165.30.3111.2L48 D49 M54 S103 Q104 S110 V111 H136 D138L48-R107 PolarHBondContact O-NH2 3.06Å; D49-R107 IonicContact OD1-CZ 2.72Å; D49-R107 VanDerWaalsContact OD1-CZ 3.3Å; D49-R107 IonicContact OD1-NE 3.03Å; D49-R107 PolarHBondContact OD1-NE 3Å; D49-R107 IonicContact OD1-NH2 3.3Å; D49-R107 PolarHBondContact OD1-NH2 2.95Å; D49-R107 IonicContact OD2-NH2 3.54Å; M54-R107 HydrophobicContact CG-CG 4.38Å; M54-R107 HydrophobicContact SD-CB 4.28Å; M54-R107 HydrophobicContact SD-CG 3.61Å; S103-R107 WeakPolarHBondContact O-CB 3.39Å; S103-R107 WeakPolarHBondContact O-CG 3.43Å; S103-R107 PolarHBondContact O-N 2.88Å; S103-R107 PolarHBondContact OG-NE 2.99Å; Q104-R107 PolarHBondContact O-N 2.7Å; R107-S110 WeakPolarHBondContact O-CB 3.42Å; R107-S110 PolarHBondContact O-N 3.12Å; R107-S110 PolarHBondContact O-OG 2.83Å; R107-V111 PolarHBondContact O-N 2.96Å; R107-H136 PolarHBondContact NH1-ND1 2.75Å; R107-D138 IonicContact CZ-OD2 3.47Å; R107-D138 IonicContact NH1-OD1 3.33Å; R107-D138 PolarHBondContact NH1-OD1 3.2Å; R107-D138 VanDerWaalsContact NH1-OD1 3.11Å; R107-D138 IonicContact NH1-OD2 2.73Å; R107-D138 PolarHBondContact NH1-OD2 3.38Å; R107-D138 IonicContact NH2-OD2 2.74Å; R107-D138 PolarHBondContact NH2-OD2 3.37Å
108N88.4Confident85.7Confident17 Ų1745.1 Ų45.19%0.09127%0.265CS..Hα-helixtrans-59.2-49175.2-74.5-13.2000111.8Q104 S105 S110 V111 G112 K113 D114 E117Q104-N108 PolarHBondContact O-N 3.21Å; S105-N108 PolarHBondContact O-N 3.37Å; N108-S110 PolarHBondContact O-N 2.95Å; N108-V111 VanDerWaalsContact O-CG2 3.3Å; N108-V111 WeakPolarHBondContact O-CG2 3.49Å; N108-V111 PolarHBondContact O-N 3.11Å; N108-V111 VanDerWaalsContact O-N 3.17Å; N108-G112 PolarHBondContact O-N 3.4Å; N108-G112 VanDerWaalsContact O-N 3.16Å; N108-K113 HydrophobicContact CB-CB 4Å; N108-K113 WeakPolarHBondContact O-CB 3.44Å; N108-K113 PolarHBondContact O-N 2.94Å; N108-D114 WeakPolarHBondContact CB-O 3.43Å; N108-D114 PolarHBondContact ND2-O 3.08Å; N108-E117 PolarHBondContact ND2-O 2.77Å
109I86.5Confident84.5Confident61 Ų6142.4 Ų42.431%0.31325%0.25SS..Hα-helixtrans-57.7-39.9176.4-68.2162.4000111R57 S105 L106 V111 G112 P115R57-I109 PolarHBondContact NH2-O 3.01Å; S105-I109 WeakPolarHBondContact O-CD1 3.47Å; S105-I109 VanDerWaalsContact O-CG1 3.25Å; S105-I109 WeakPolarHBondContact O-CG1 3.47Å; S105-I109 PolarHBondContact O-N 3.15Å; L106-I109 PolarHBondContact O-N 3.49Å; I109-V111 PolarHBondContact O-N 3.36Å; I109-G112 PolarHBondContact O-N 3.14Å; I109-G112 VanDerWaalsContact O-N 3.07Å; I109-P115 HydrophobicContact CD1-CB 4.02Å; I109-P115 HydrophobicContact CD1-CG 3.92Å; I109-P115 HydrophobicContact CG1-CB 4.02Å; I109-P115 HydrophobicContact CG1-CG 3.7Å
110S86.1Confident82.7Confident10 Ų1053.1 Ų53.17%0.0729%0.291CS..Hα-helixtrans-59.3-34.2-178.483.30000112.6G55 R57 L106 R107 N108G55-S110 WeakPolarHBondContact CA-OG 3.48Å; G55-S110 PolarHBondContact N-OG 3.24Å; R57-S110 VanDerWaalsContact CZ-O 3.23Å; R57-S110 PolarHBondContact NE-O 3.49Å; R57-S110 PolarHBondContact NH2-O 2.76Å; L106-S110 WeakPolarHBondContact O-CB 3.41Å; L106-S110 PolarHBondContact O-N 3.01Å; R107-S110 WeakPolarHBondContact O-CB 3.42Å; R107-S110 PolarHBondContact O-N 3.12Å; R107-S110 PolarHBondContact O-OG 2.83Å; N108-S110 PolarHBondContact O-N 2.95Å
111V87.2Confident80.4Confident88 Ų8861.1 Ų61.153%0.53333%0.328SS..THydrogen-bonded Turntrans-99.16.9178.2-62.30000113.7R107 N108 I109 K113R107-V111 PolarHBondContact O-N 2.96Å; N108-V111 VanDerWaalsContact O-CG2 3.3Å; N108-V111 WeakPolarHBondContact O-CG2 3.49Å; N108-V111 PolarHBondContact O-N 3.11Å; N108-V111 VanDerWaalsContact O-N 3.17Å; I109-V111 PolarHBondContact O-N 3.36Å; V111-K113 HydrophobicContact CG2-CB 4.27Å; V111-K113 HydrophobicContact CG2-CD 3.9Å; V111-K113 HydrophobicContact CG2-CG 3.95Å
112G82.5Confident78Confident62 Ų6261.2 Ų61.264%0.63933%0.333SS*.THydrogen-bonded Turntrans80.320176.800000115N108 I109N108-G112 PolarHBondContact O-N 3.4Å; N108-G112 VanDerWaalsContact O-N 3.16Å; I109-G112 PolarHBondContact O-N 3.14Å; I109-G112 VanDerWaalsContact O-N 3.07Å
113K82.7Confident75.6Confident100 Ų10067.1 Ų67.144%0.43537%0.373SS..  trans-89.4165174.6-76.1-179164.7-1350112.1N108 V111 E117N108-K113 HydrophobicContact CB-CB 4Å; N108-K113 WeakPolarHBondContact O-CB 3.44Å; N108-K113 PolarHBondContact O-N 2.94Å; V111-K113 HydrophobicContact CG2-CB 4.27Å; V111-K113 HydrophobicContact CG2-CD 3.9Å; V111-K113 HydrophobicContact CG2-CG 3.95Å; K113-E117 WeakPolarHBondContact CB-OE2 2.8Å; K113-E117 WeakPolarHBondContact CG-OE2 3.49Å; K113-E117 IonicContact NZ-OE1 3.11Å; K113-E117 PolarHBondContact NZ-OE1 3.42Å
114D75.1Confident73.4Confident95 Ų9570.1 Ų70.151%0.50840%0.404SS..  trans-62.3131.8173.3-175.7-64.9000110N108 L116 E117N108-D114 WeakPolarHBondContact CB-O 3.43Å; N108-D114 PolarHBondContact ND2-O 3.08Å; D114-L116 PolarHBondContact O-N 3.42Å; D114-L116 VanDerWaalsContact O-N 3.15Å; D114-L116 WeakPolarHBondContact OD1-CA 3.45Å; D114-L116 WeakPolarHBondContact OD1-CB 3.44Å; D114-L116 PolarHBondContact OD1-N 2.91Å; D114-E117 HydrophobicContact CB-CB 4.17Å; D114-E117 WeakPolarHBondContact O-CB 3.37Å; D114-E117 PolarHBondContact O-N 3.18Å
115P80Confident71.3Confident50 Ų5077.3 Ų77.333%0.32544%0.441SS..THydrogen-bonded Turntrans-58.8-27.1-178.1-20.629.3000114.4S105 I109S105-P115 WeakPolarHBondContact CA-O 3.48Å; S105-P115 PolarHBondContact OG-O 3.35Å; I109-P115 HydrophobicContact CD1-CB 4.02Å; I109-P115 HydrophobicContact CD1-CG 3.92Å; I109-P115 HydrophobicContact CG1-CB 4.02Å; I109-P115 HydrophobicContact CG1-CG 3.7Å
116L76.9Confident68.9Low84 Ų8479.4 Ų79.444%0.4446%0.459SS..THydrogen-bonded Turntrans-96.51-179.8-53178.9000112D114 G118 Q119D114-L116 PolarHBondContact O-N 3.42Å; D114-L116 VanDerWaalsContact O-N 3.15Å; D114-L116 WeakPolarHBondContact OD1-CA 3.45Å; D114-L116 WeakPolarHBondContact OD1-CB 3.44Å; D114-L116 PolarHBondContact OD1-N 2.91Å; L116-G118 PolarHBondContact O-N 3.48Å; L116-G118 VanDerWaalsContact O-N 3.11Å; L116-Q119 WeakPolarHBondContact O-CB 3.3Å; L116-Q119 PolarHBondContact O-N 3.2Å
117E73.7Confident66.7Low86 Ų8684.5 Ų84.540%0.40248%0.482SS..THydrogen-bonded Turntrans-58.2118.2176.7-164.3-179.5142.800110.1N108 K113 D114N108-E117 PolarHBondContact ND2-O 2.77Å; K113-E117 WeakPolarHBondContact CB-OE2 2.8Å; K113-E117 WeakPolarHBondContact CG-OE2 3.49Å; K113-E117 IonicContact NZ-OE1 3.11Å; K113-E117 PolarHBondContact NZ-OE1 3.42Å; D114-E117 HydrophobicContact CB-CB 4.17Å; D114-E117 WeakPolarHBondContact O-CB 3.37Å; D114-E117 PolarHBondContact O-N 3.18Å
118G66.3Low64.5Low59 Ų5989.8 Ų89.861%0.60851%0.511SS*.THydrogen-bonded Turntrans90.6-10.6-175.900000115L116 R120L116-G118 PolarHBondContact O-N 3.48Å; L116-G118 VanDerWaalsContact O-N 3.11Å; G118-R120 PolarHBondContact O-N 3.12Å
119Q64.9Low62Low39 Ų3997.3 Ų97.318%0.18255%0.546CS..  trans-80.5100.3168.9-67.4-1774.100109.3L101 S105 L116 H121L101-Q119 PolarHBondContact O-NE2 3.13Å; S105-Q119 PolarHBondContact OG-NE2 2.79Å; L116-Q119 WeakPolarHBondContact O-CB 3.3Å; L116-Q119 PolarHBondContact O-N 3.2Å; Q119-H121 PolarHBondContact O-N 3.36Å
120R55.9Low60Low226 Ų22697.5 Ų97.585%0.85355%0.552SS**  trans-84.9108.7173.9-69.5-172.8178.3-173.70.1110.1G118 C122G118-R120 PolarHBondContact O-N 3.12Å; R120-C122 PolarHBondContact O-N 2.79Å
121H44.7Very low58.3Low171 Ų171105.7 Ų105.779%0.79259%0.589SS**  trans-72.9104.1161.9-82.6-83.6000108.7Q119Q119-H121 PolarHBondContact O-N 3.36Å
122C40.3Very low57.1Low68 Ų68108.2 Ų108.246%0.45960%0.595SS.*  trans-119.4124.2168-65.90000110R120 G124 A126R120-C122 PolarHBondContact O-N 2.79Å; C122-G124 PolarHBondContact O-N 2.82Å; C122-A126 HydrophobicContact CB-CB 4.22Å
123C40.2Very low56.9Low128 Ų128108.3 Ų108.387%0.86559%0.586SS**  trans-65.5125.7170.9-63.70000110.9I125C123-I125 VanDerWaalsContact C-N 3.35Å; C123-I125 PolarHBondContact O-N 2.82Å
124G47.2Very low56.8Low63 Ų63104.6 Ų104.665%0.64957%0.57SS**THydrogen-bonded Turntrans65.4-47.6146.200000121.1C122C122-G124 PolarHBondContact O-N 2.82Å
125I46Very low57.2Low156 Ų156103.1 Ų103.180%0.858%0.578SS**THydrogen-bonded Turntrans-121.3-23.7-163.1-63.2176.6000113.3C123 Q127C123-I125 VanDerWaalsContact C-N 3.35Å; C123-I125 PolarHBondContact O-N 2.82Å; I125-Q127 VanDerWaalsContact C-N 3.26Å; I125-Q127 PolarHBondContact O-N 2.86Å
126A40.4Very low57.5Low56 Ų56103.6 Ų103.646%0.46358%0.576SS.*G310 helixtrans-81.60.4178.300000114.6C122 I128 S130C122-A126 HydrophobicContact CB-CB 4.22Å; A126-I128 VanDerWaalsContact C-N 3.35Å; A126-I128 PolarHBondContact O-N 2.98Å; A126-S130 PolarHBondContact O-OG 2.87Å
127Q43.9Very low58.1Low125 Ų125108.5 Ų108.558%0.58459%0.594SS**G310 helixtrans-78.5-13.1-171.5-121.5171.8-1900114.5I125I125-Q127 VanDerWaalsContact C-N 3.26Å; I125-Q127 PolarHBondContact O-N 2.86Å
128I44.9Very low59Low142 Ų142107.4 Ų107.473%0.72859%0.59SS**G310 helixtrans-85.3-23.1-172.3-60.6174.5000112.2A126A126-I128 VanDerWaalsContact C-N 3.35Å; A126-I128 PolarHBondContact O-N 2.98Å
129H37.2Very low60.2Low175 Ų175104.6 Ų104.681%0.8156%0.561SS**THydrogen-bonded Turntrans-123.21.6-172-70.5-104000115.2
130S43.6Very low61.5Low64 Ų64104.4 Ų104.445%0.44856%0.562SS.*SBendtrans-103.1118.5177.749.90000110.5A126 H132A126-S130 PolarHBondContact O-OG 2.87Å; S130-H132 PolarHBondContact O-N 2.94Å; S130-H132 PolarHBondContact O-ND1 2.86Å
131H49.8Very low63.2Low182 Ų18299 Ų9984%0.84355%0.546SS*.  trans-47.9127-178.1-67-89.3000111.7S133H131-S133 PolarHBondContact O-N 3.22Å
132H63.4Low65.4Low141 Ų14191 Ų9165%0.65351%0.509SS*.  trans-69.940-178.9-6932.7000113.5S130S130-H132 PolarHBondContact O-N 2.94Å; S130-H132 PolarHBondContact O-ND1 2.86Å
133S78Confident67.8Low65 Ų6590.9 Ų90.946%0.45550%0.501SS..  trans-99129.2-176.2-177.40000111.3H131 G135 D140H131-S133 PolarHBondContact O-N 3.22Å; S133-G135 PolarHBondContact OG-N 3.45Å; S133-G135 VanDerWaalsContact OG-N 3.1Å; S133-D140 WeakPolarHBondContact CA-OD1 3.43Å; S133-D140 WeakPolarHBondContact CB-OD2 3.34Å; S133-D140 PolarHBondContact OG-OD2 2.88Å
134L79.8Confident70.1Confident21 Ų2188.3 Ų88.311%0.1149%0.489CS..  trans-82.93.8168.5-60178.7000112.2P100 L101 Q104 H136 L139 D140P100-L134 HydrophobicContact CB-CD1 3.54Å; L101-L134 HydrophobicContact CD2-CD1 4.46Å; L101-L134 HydrophobicContact CD2-CD2 3.71Å; Q104-L134 PolarHBondContact NE2-O 2.99Å; L134-H136 VanDerWaalsContact C-N 3.28Å; L134-H136 PolarHBondContact O-CD2 2.69Å; L134-L139 HydrophobicContact CD1-CB 3.95Å; L134-D140 PolarHBondContact N-OD1 3.48Å
135G83.4Confident72.2Confident65 Ų6589.4 Ų89.467%0.6748%0.48SS*.SBendtrans80.47.2-176.400000114S133S133-G135 PolarHBondContact OG-N 3.45Å; S133-G135 VanDerWaalsContact OG-N 3.1Å
136H87.6Confident74.4Confident59 Ų5985 Ų8527%0.27346%0.462SS..  trans-134.6110.9-176.1-66.5-69.6000109.5R107 L134 D138 L139 D140R107-H136 PolarHBondContact NH1-ND1 2.75Å; L134-H136 VanDerWaalsContact C-N 3.28Å; L134-H136 PolarHBondContact O-CD2 2.69Å; H136-D138 WeakPolarHBondContact CB-OD1 3.46Å; H136-D138 PolarHBondContact O-N 3.16Å; H136-L139 HydrophobicContact CB-CB 3.94Å; H136-L139 HydrophobicContact CB-CD1 3.87Å; H136-L139 HydrophobicContact CB-CG 3.79Å; H136-L139 PolarHBondContact O-N 3.25Å; H136-D140 WeakPolarHBondContact O-CB 3.29Å; H136-D140 PolarHBondContact O-N 3Å
137K89.6Confident77Confident188 Ų18885.1 Ų85.182%0.81745%0.453SS*.Hα-helixtrans-56.9-37.3-173.2-69.9-177.5179.1-179.70113.5H141K137-H141 WeakPolarHBondContact O-CB 3.32Å; K137-H141 PolarHBondContact O-N 2.91Å
138D92.5Very high79.5Confident63 Ų6381.2 Ų81.234%0.33744%0.438SS..Hα-helixtrans-65.9-45.5176.357.2-28.6000111.8L48 R107 H136 H141 L142L48-D138 HydrophobicContact CD2-CB 4.38Å; R107-D138 IonicContact CZ-OD2 3.47Å; R107-D138 IonicContact NH1-OD1 3.33Å; R107-D138 PolarHBondContact NH1-OD1 3.2Å; R107-D138 VanDerWaalsContact NH1-OD1 3.11Å; R107-D138 IonicContact NH1-OD2 2.73Å; R107-D138 PolarHBondContact NH1-OD2 3.38Å; R107-D138 IonicContact NH2-OD2 2.74Å; R107-D138 PolarHBondContact NH2-OD2 3.37Å; H136-D138 WeakPolarHBondContact CB-OD1 3.46Å; H136-D138 PolarHBondContact O-N 3.16Å; D138-H141 PolarHBondContact O-N 3.37Å; D138-L142 WeakPolarHBondContact O-CB 3.34Å; D138-L142 PolarHBondContact O-N 3.46Å
139L91.9Very high82.1Confident0 Ų074.4 Ų74.40%040%0.404CS..Hα-helixtrans-70.4-36.7177-56.1-174.7000112.4P100 S103 Q104 L134 H136 H141 L142 Q143P100-L139 HydrophobicContact CB-CB 4.31Å; S103-L139 WeakPolarHBondContact OG-CD2 3.1Å; Q104-L139 HydrophobicContact CB-CD1 4.22Å; L134-L139 HydrophobicContact CD1-CB 3.95Å; H136-L139 HydrophobicContact CB-CB 3.94Å; H136-L139 HydrophobicContact CB-CD1 3.87Å; H136-L139 HydrophobicContact CB-CG 3.79Å; H136-L139 PolarHBondContact O-N 3.25Å; L139-H141 VanDerWaalsContact C-N 3.32Å; L139-L142 PolarHBondContact O-N 2.99Å; L139-Q143 WeakPolarHBondContact O-CB 3.29Å; L139-Q143 PolarHBondContact O-N 3.43Å
140D90.6Very high85Confident35 Ų3566.7 Ų66.719%0.18737%0.369CS..Hα-helixtrans-61.9-43.4175.1-66.2-10.3000110.7S133 L134 H136 Q143 A144S133-D140 WeakPolarHBondContact CA-OD1 3.43Å; S133-D140 WeakPolarHBondContact CB-OD2 3.34Å; S133-D140 PolarHBondContact OG-OD2 2.88Å; L134-D140 PolarHBondContact N-OD1 3.48Å; H136-D140 WeakPolarHBondContact O-CB 3.29Å; H136-D140 PolarHBondContact O-N 3Å; D140-Q143 PolarHBondContact O-N 2.93Å; D140-A144 WeakPolarHBondContact O-CB 3.46Å; D140-A144 PolarHBondContact O-N 3.38Å
141H91.6Very high87.6Confident111 Ų11163.6 Ų63.651%0.51435%0.347SS..Hα-helixtrans-64.7-43175.9-174.869.9000111.8K137 D138 L139 Q143 A144 N145K137-H141 WeakPolarHBondContact O-CB 3.32Å; K137-H141 PolarHBondContact O-N 2.91Å; D138-H141 PolarHBondContact O-N 3.37Å; L139-H141 VanDerWaalsContact C-N 3.32Å; H141-Q143 VanDerWaalsContact C-N 3.33Å; H141-A144 PolarHBondContact O-N 3.24Å; H141-N145 PolarHBondContact CE1-ND2 2.93Å; H141-N145 PolarHBondContact O-N 2.9Å; H141-N145 PolarHBondContact O-ND2 3.44Å
142L91.8Very high89.8Confident5 Ų555.9 Ų55.93%0.02632%0.315CS..Hα-helixtrans-66.2-34.2176.7-176.761.9000112.5L42 L48 Y99 P100 D138 L139 N145 P146 Q147 L149L42-L142 HydrophobicContact CD2-CD1 4.28Å; L48-L142 HydrophobicContact CD1-CD2 3.68Å; Y99-L142 HydrophobicContact CD1-CD2 3.87Å; P100-L142 HydrophobicContact CG-CB 4.19Å; P100-L142 HydrophobicContact CG-CD2 3.99Å; P100-L142 HydrophobicContact CG-CG 3.87Å; D138-L142 WeakPolarHBondContact O-CB 3.34Å; D138-L142 PolarHBondContact O-N 3.46Å; L139-L142 PolarHBondContact O-N 2.99Å; L142-N145 CarbonylContact O-C 3.19Å; L142-P146 WeakPolarHBondContact O-CA 3.34Å; L142-Q147 HydrophobicContact CD1-CG 3.56Å; L142-L149 HydrophobicContact CD1-CD2 4.2Å; L142-L149 HydrophobicContact CD2-CD1 4.28Å; L142-L149 HydrophobicContact CD2-CD2 4.28Å
143Q89.6Confident91.5Very high64 Ų6449.2 Ų49.230%0.29928%0.284SS..Hα-helixtrans-70.5-40.3175.4-175.2172.5-6400111.6P100 L139 D140 H141 N145P100-Q143 HydrophobicContact CB-CB 4.13Å; P100-Q143 HydrophobicContact CG-CB 4.08Å; L139-Q143 WeakPolarHBondContact O-CB 3.29Å; L139-Q143 PolarHBondContact O-N 3.43Å; D140-Q143 PolarHBondContact O-N 2.93Å; H141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-N145 VanDerWaalsContact C-N 3.35Å
144A89.6Confident92.4Very high74 Ų7449.1 Ų49.161%0.61228%0.276SS*.Hα-helixtrans-70.2-32.6175.500000112.4D140 H141D140-A144 WeakPolarHBondContact O-CB 3.46Å; D140-A144 PolarHBondContact O-N 3.38Å; H141-A144 PolarHBondContact O-N 3.24Å
145N91.5Very high93.2Very high86 Ų8648.1 Ų48.146%0.4627%0.271SS..SBendtrans-12977.3-178.7-54.2-77.9000110.7H141 L142 Q143 Q147H141-N145 PolarHBondContact CE1-ND2 2.93Å; H141-N145 PolarHBondContact O-N 2.9Å; H141-N145 PolarHBondContact O-ND2 3.44Å; L142-N145 CarbonylContact O-C 3.19Å; Q143-N145 VanDerWaalsContact C-N 3.35Å; N145-Q147 PolarHBondContact O-N 2.73Å
146P92.1Very high93.7Very high64 Ų6448 Ų4842%0.41626%0.255SS..  trans-58.2130.3177.5-25.635.8000111.4T93 L142T93-P146 VanDerWaalsContact CG2-C 3.45Å; T93-P146 HydrophobicContact CG2-CB 3.51Å; T93-P146 WeakPolarHBondContact CG2-O 3.42Å; L142-P146 WeakPolarHBondContact O-CA 3.34Å
147Q94.9Very high93.9Very high58 Ų5849.4 Ų49.427%0.27126%0.261SS..  trans-141.8163.9-177.260.9-173.8-40.900111.4L42 T96 L142 N145L42-Q147 HydrophobicContact CD2-CG 4.14Å; T96-Q147 PolarHBondContact OG1-O 2.7Å; L142-Q147 HydrophobicContact CD1-CG 3.56Å; N145-Q147 PolarHBondContact O-N 2.73Å
148P96.9Very high94Very high43 Ų4341.8 Ų41.828%0.27923%0.231SC..  trans-60.5147174.6-21.434.8000111.2C91 T93C91-P148 WeakPolarHBondContact O-CA 3.43Å; C91-P148 VanDerWaalsContact O-CB 3.32Å; C91-P148 WeakPolarHBondContact O-CB 3.4Å; T93-P148 VanDerWaalsContact OG1-CD 3.3Å; T93-P148 WeakPolarHBondContact OG1-CD 3.22Å
149L97.9Very high93.8Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-124.7154.8179.4-61.9178.2000110.6T40 L42 L48 C91 T96 Y99 L142 F151T40-L149 HydrophobicContact CG2-CB 4.3Å; T40-L149 HydrophobicContact CG2-CD1 4.06Å; L42-L149 HydrophobicContact CD2-CD2 3.61Å; L48-L149 HydrophobicContact CD1-CD2 3.85Å; C91-L149 PolarHBondContact N-O 3.03Å; C91-L149 PolarHBondContact O-N 2.78Å; C91-L149 VanDerWaalsContact O-N 3.09Å; T96-L149 HydrophobicContact CG2-CB 3.65Å; T96-L149 HydrophobicContact CG2-CD1 3.89Å; T96-L149 HydrophobicContact CG2-CG 3.72Å; Y99-L149 HydrophobicContact CD1-CD1 3.56Å; Y99-L149 HydrophobicContact CD2-CD1 4.06Å; Y99-L149 HydrophobicContact CE1-CD1 4.3Å; Y99-L149 HydrophobicContact CG-CD1 3.44Å; Y99-L149 VanDerWaalsContact CG-CD1 3.44Å; L142-L149 HydrophobicContact CD1-CD2 4.2Å; L142-L149 HydrophobicContact CD2-CD1 4.28Å; L142-L149 HydrophobicContact CD2-CD2 4.28Å; L149-F151 HydrophobicContact CB-CE1 4.23Å; L149-F151 HydrophobicContact CB-CZ 4.06Å; L149-F151 HydrophobicContact CD1-CE1 4.23Å; L149-F151 HydrophobicContact CD1-CZ 4.15Å
150V98.1Very high93.5Very high12 Ų1244 Ų447%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-109.4119.2174.1-178.10000108.5T40 S41 E88 F89 T90T40-V150 WeakPolarHBondContact CA-O 3.32Å; S41-V150 PolarHBondContact N-O 3.35Å; S41-V150 PolarHBondContact O-N 3Å; E88-V150 VanDerWaalsContact CD-CG1 3.46Å; E88-V150 HydrophobicContact CG-CG1 3.25Å; F89-V150 WeakPolarHBondContact O-CA 3.26Å; T90-V150 HydrophobicContact CG2-CG2 4.35Å
151F98.1Very high93.2Very high0 Ų045.3 Ų45.30%026%0.257CS..EExtended strand (participates in β ladder)trans-104.4111.3173.5-54.7-61000109.4T40 L71 V73 W74 I77 E88 F89 C91 T96 Y99 L149T40-F151 HydrophobicContact CG2-CD1 3.68Å; T40-F151 HydrophobicContact CG2-CE1 3.51Å; T40-F151 WeakPolarHBondContact OG1-CD1 3.35Å; L71-F151 HydrophobicContact CD2-CZ 4.29Å; V73-F151 HydrophobicContact CG1-CE2 4.04Å; W74-F151 AromaticContact NE1-CD1 3.6Å; W74-F151 AromaticContact NE1-CD2 3.96Å; W74-F151 AromaticContact NE1-CE1 3.63Å; W74-F151 AromaticContact NE1-CE2 4Å; W74-F151 AromaticContact NE1-CG 3.77Å; W74-F151 AromaticContact NE1-CZ 3.84Å; I77-F151 HydrophobicContact CD1-CB 4.22Å; I77-F151 HydrophobicContact CD1-CD2 4.1Å; I77-F151 HydrophobicContact CD1-CG 4.48Å; E88-F151 CarbonylContact C-O 3.58Å; E88-F151 WeakPolarHBondContact CA-O 3.22Å; F89-F151 HydrophobicContact CB-CB 4.45Å; F89-F151 PolarHBondContact N-O 2.86Å; F89-F151 PolarHBondContact O-N 2.83Å; C91-F151 HydrophobicContact CB-CD2 4.39Å; C91-F151 HydrophobicContact CB-CE2 4.03Å; C91-F151 VanDerWaalsContact SG-CD2 3.58Å; T96-F151 HydrophobicContact CG2-CE2 4.3Å; T96-F151 HydrophobicContact CG2-CZ 4.18Å; Y99-F151 AromaticContact CD2-CE1 3.71Å; Y99-F151 HydrophobicContact CD2-CE1 3.71Å; Y99-F151 HydrophobicContact CD2-CZ 4.05Å; Y99-F151 AromaticContact CE2-CE1 3.66Å; Y99-F151 HydrophobicContact CE2-CE1 3.66Å; Y99-F151 HydrophobicContact CE2-CZ 4.45Å; L149-F151 HydrophobicContact CB-CE1 4.23Å; L149-F151 HydrophobicContact CB-CZ 4.06Å; L149-F151 HydrophobicContact CD1-CE1 4.23Å; L149-F151 HydrophobicContact CD1-CZ 4.15Å
152A97.8Very high92.4Very high19 Ų1943.8 Ų43.816%0.15727%0.271CS..EExtended strand (participates in β ladder)trans-93.8117.4168.800000109Y38 R39 A87Y38-A152 CarbonylContact C-O 3.51Å; Y38-A152 VanDerWaalsContact CA-O 3.27Å; Y38-A152 WeakPolarHBondContact CA-O 3.38Å; R39-A152 HydrophobicContact CB-CB 4.34Å; R39-A152 PolarHBondContact N-O 3.17Å; R39-A152 PolarHBondContact O-N 3.46Å; A87-A152 WeakPolarHBondContact O-CA 3.16Å
153I97.8Very high91.9Very high2 Ų246.7 Ų46.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-116.2132.7-175.8-60.3-176.1000109.5F36 H37 I77 V78 M81 V86 A87 F89F36-I153 HydrophobicContact CB-CG2 3.8Å; F36-I153 HydrophobicContact CD2-CG2 3.67Å; F36-I153 HydrophobicContact CE2-CD1 4.36Å; F36-I153 HydrophobicContact CE2-CG2 4.43Å; F36-I153 HydrophobicContact CG-CG2 3.85Å; H37-I153 WeakPolarHBondContact O-CA 3.21Å; I77-I153 HydrophobicContact CD1-CD1 3.5Å; I77-I153 VanDerWaalsContact CD1-CD1 3.5Å; I77-I153 HydrophobicContact CG1-CD1 3.89Å; V78-I153 HydrophobicContact CG2-CD1 3.97Å; M81-I153 HydrophobicContact CE-CB 3.99Å; M81-I153 HydrophobicContact CE-CG2 3.78Å; M81-I153 WeakPolarHBondContact CE-O 3.42Å; M81-I153 HydrophobicContact SD-CB 3.84Å; M81-I153 HydrophobicContact SD-CG2 3.56Å; M81-I153 VanDerWaalsContact SD-CG2 3.56Å; V86-I153 WeakPolarHBondContact CA-O 3.46Å; A87-I153 PolarHBondContact N-O 2.98Å; A87-I153 PolarHBondContact O-N 2.86Å; F89-I153 HydrophobicContact CD2-CD1 4.35Å; F89-I153 HydrophobicContact CD2-CG1 4.45Å; F89-I153 HydrophobicContact CE2-CB 4.36Å; F89-I153 HydrophobicContact CE2-CD1 4.32Å; F89-I153 HydrophobicContact CE2-CG1 4.48Å
154E97.3Very high91.2Very high63 Ų6345.3 Ų45.329%0.29429%0.285SS..EExtended strand (participates in β ladder)trans-110.5109.4165.8175-178.7-157.500108.4F36 H37 R52 V86 L156F36-E154 CarbonylContact C-O 3.53Å; F36-E154 WeakPolarHBondContact CA-O 3.3Å; F36-E154 WeakPolarHBondContact CB-O 3.44Å; H37-E154 HydrophobicContact CB-CB 4.39Å; H37-E154 PolarHBondContact N-O 3.42Å; H37-E154 PolarHBondContact O-N 2.95Å; R52-E154 IonicContact CZ-OE2 3.51Å; R52-E154 IonicContact NE-OE2 2.76Å; R52-E154 IonicContact NH2-OE2 2.67Å; R52-E154 PolarHBondContact NH2-OE2 2.74Å; V86-E154 HydrophobicContact CG2-CB 4.2Å; V86-E154 HydrophobicContact CG2-CG 4.03Å; E154-L156 HydrophobicContact CG-CD2 3.9Å; E154-L156 PolarHBondContact O-N 3.12Å
155M95.9Very high90Very high0 Ų048.9 Ų48.90%029%0.289CS..EExtended strand (participates in β ladder)trans-76.1117.1178-177.559.160.900110.2V34 F36 V78 M81 R82 G84 E85 V158V34-M155 HydrophobicContact CB-CE 4.22Å; V34-M155 HydrophobicContact CB-SD 4.12Å; F36-M155 HydrophobicContact CB-CE 4.39Å; F36-M155 HydrophobicContact CB-SD 4.38Å; F36-M155 HydrophobicContact CD1-CE 4.43Å; V78-M155 HydrophobicContact CB-CE 4.37Å; V78-M155 HydrophobicContact CG1-CE 3.38Å; V78-M155 HydrophobicContact CG2-CE 4.34Å; M81-M155 HydrophobicContact CB-CE 4.32Å; M81-M155 HydrophobicContact CE-CB 4.01Å; M81-M155 HydrophobicContact SD-CE 4.37Å; R82-M155 VanDerWaalsContact O-CB 3.29Å; R82-M155 WeakPolarHBondContact O-CB 3.42Å; R82-M155 VanDerWaalsContact O-CG 3.32Å; R82-M155 WeakPolarHBondContact O-CG 3.41Å; G84-M155 WeakPolarHBondContact CA-O 3.41Å; G84-M155 PolarHBondContact N-O 3.22Å; E85-M155 PolarHBondContact O-N 2.73Å; M155-V158 HydrophobicContact CG-CG2 4.24Å; M155-V158 HydrophobicContact SD-CG2 4.01Å
156L94.4Very high88.7Confident63 Ų6346.5 Ų46.533%0.3328%0.276SS..EExtended strand (participates in β ladder)trans-93.9-52.2-178.5-56.2176.8000111.3V35 P60 Q83 E154V35-L156 HydrophobicContact CG1-CD1 4.4Å; V35-L156 WeakPolarHBondContact O-CA 3.43Å; V35-L156 WeakPolarHBondContact O-CB 3.49Å; V35-L156 PolarHBondContact O-N 2.63Å; P60-L156 HydrophobicContact CB-CD1 3.86Å; P60-L156 HydrophobicContact CG-CD1 4.37Å; Q83-L156 VanDerWaalsContact CG-O 3.3Å; Q83-L156 WeakPolarHBondContact CG-O 3.23Å; Q83-L156 PolarHBondContact NE2-O 3.09Å; E154-L156 HydrophobicContact CG-CD2 3.9Å; E154-L156 PolarHBondContact O-N 3.12Å
157E92.6Very high87.3Confident87 Ų8747.8 Ų47.841%0.40728%0.28SS..EExtended strand (participates in β ladder)trans-145.1143.5-169.9-162.9176.6-154.700111.8V34 V35 L159V34-E157 WeakPolarHBondContact CA-O 3.41Å; V35-E157 HydrophobicContact CB-CB 4.1Å; V35-E157 HydrophobicContact CG2-CB 4.37Å; V35-E157 PolarHBondContact N-O 2.87Å; V35-E157 PolarHBondContact O-N 3.34Å; V35-E157 VanDerWaalsContact O-N 3.12Å; E157-L159 HydrophobicContact CG-CD2 4.08Å; E157-L159 HydrophobicContact CG-CG 4.03Å; E157-L159 WeakPolarHBondContact OE1-CD2 3.4Å
158V90.8Very high85.6Confident28 Ų2848.3 Ų48.317%0.1728%0.283CS..EExtended strand (participates in β ladder)trans-126.6113.2173.9-178.10000107.6F28 T32 V34 Q83 M155F28-V158 HydrophobicContact CD1-CG1 3.77Å; F28-V158 HydrophobicContact CE1-CB 4.21Å; F28-V158 HydrophobicContact CE1-CG1 3.43Å; F28-V158 VanDerWaalsContact CE1-CG1 3.43Å; F28-V158 HydrophobicContact CE1-CG2 3.75Å; F28-V158 HydrophobicContact CZ-CG1 4.13Å; F28-V158 HydrophobicContact CZ-CG2 3.69Å; T32-V158 HydrophobicContact CG2-CG1 3.6Å; V34-V158 HydrophobicContact CG1-CG1 4.33Å; V34-V158 HydrophobicContact CG1-CG2 4.34Å; Q83-V158 HydrophobicContact CB-CG2 4.28Å; M155-V158 HydrophobicContact CG-CG2 4.24Å; M155-V158 HydrophobicContact SD-CG2 4.01Å
159L88.9Confident83.7Confident34 Ų3455.9 Ų55.918%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-106.9120.6-177.7-66.2171.6000109.6T32 K33 E157 F164T32-L159 WeakPolarHBondContact CA-O 3.48Å; T32-L159 WeakPolarHBondContact CG2-O 3.44Å; K33-L159 HydrophobicContact CB-CB 4.2Å; K33-L159 HydrophobicContact CD-CD1 4.14Å; K33-L159 HydrophobicContact CG-CD1 4.35Å; K33-L159 PolarHBondContact N-O 2.84Å; K33-L159 PolarHBondContact O-N 2.94Å; E157-L159 HydrophobicContact CG-CD2 4.08Å; E157-L159 HydrophobicContact CG-CG 4.03Å; E157-L159 WeakPolarHBondContact OE1-CD2 3.4Å; L159-F164 HydrophobicContact CB-CD1 3.89Å; L159-F164 HydrophobicContact CB-CE1 4.48Å; L159-F164 HydrophobicContact CD1-CB 4.22Å
160P85.6Confident81.8Confident76 Ų7656.6 Ų56.649%0.49431%0.312SS..  trans-64.5155.3179.724.4-31.8000111.9G162 S163P160-G162 PolarHBondContact O-N 3.16Å; P160-S163 VanDerWaalsContact CD-OG 3.23Å; P160-S163 WeakPolarHBondContact CD-OG 3.29Å; P160-S163 WeakPolarHBondContact O-CB 3.34Å; P160-S163 PolarHBondContact O-N 3.45Å; P160-S163 VanDerWaalsContact O-N 3.09Å; P160-S163 PolarHBondContact O-OG 2.66Å
161P83.6Confident80.5Confident62 Ų6257.6 Ų57.640%0.40332%0.316SS..THydrogen-bonded Turntrans-51.5133.4175.9-21.529.4000111.6P29 S163P29-P161 HydrophobicContact CG-CG 4.09Å; P161-S163 VanDerWaalsContact C-N 3.29Å; P161-S163 PolarHBondContact O-N 3.45Å
162G74.7Confident79.4Confident79 Ų7960.6 Ų60.681%0.81433%0.334SS*.THydrogen-bonded Turntrans82.2-7.7179.500000115.8P160 F164P160-G162 PolarHBondContact O-N 3.16Å; G162-F164 VanDerWaalsContact C-N 3.28Å
163S81.9Confident78.5Confident67 Ų6762.8 Ų62.847%0.46934%0.343SS..SBendtrans-82.2-4.7174.666.50000114.4P160 P161P160-S163 VanDerWaalsContact CD-OG 3.23Å; P160-S163 WeakPolarHBondContact CD-OG 3.29Å; P160-S163 WeakPolarHBondContact O-CB 3.34Å; P160-S163 PolarHBondContact O-N 3.45Å; P160-S163 VanDerWaalsContact O-N 3.09Å; P160-S163 PolarHBondContact O-OG 2.66Å; P161-S163 VanDerWaalsContact C-N 3.29Å; P161-S163 PolarHBondContact O-N 3.45Å
164F75.2Confident77.7Confident34 Ų3469.6 Ų69.615%0.14937%0.373CS..SBendtrans-138151.7-178.864.6-82.7000110G31 K33 I64 L159 G162 L166G31-F164 WeakPolarHBondContact O-CE1 3.38Å; G31-F164 VanDerWaalsContact O-CZ 3.29Å; G31-F164 WeakPolarHBondContact O-CZ 3.28Å; K33-F164 HydrophobicContact CB-CD1 3.87Å; K33-F164 HydrophobicContact CB-CD2 4.13Å; K33-F164 HydrophobicContact CB-CE1 3.43Å; K33-F164 VanDerWaalsContact CB-CE1 3.43Å; K33-F164 HydrophobicContact CB-CE2 3.68Å; K33-F164 HydrophobicContact CB-CG 4.21Å; K33-F164 HydrophobicContact CB-CZ 3.34Å; K33-F164 HydrophobicContact CD-CD2 3.69Å; K33-F164 HydrophobicContact CD-CE2 3.86Å; K33-F164 HydrophobicContact CD-CG 4.06Å; K33-F164 HydrophobicContact CD-CZ 4.41Å; K33-F164 HydrophobicContact CG-CE2 4.38Å; K33-F164 HydrophobicContact CG-CZ 4.47Å; I64-F164 HydrophobicContact CG1-CE2 4.38Å; I64-F164 HydrophobicContact CG1-CZ 4.46Å; L159-F164 HydrophobicContact CB-CD1 3.89Å; L159-F164 HydrophobicContact CB-CE1 4.48Å; L159-F164 HydrophobicContact CD1-CB 4.22Å; G162-F164 VanDerWaalsContact C-N 3.28Å; F164-L166 HydrophobicContact CD2-CD2 4.49Å; F164-L166 HydrophobicContact CD2-CG 4.32Å; F164-L166 HydrophobicContact CE2-CD2 3.52Å; F164-L166 HydrophobicContact CE2-CG 3.62Å; F164-L166 HydrophobicContact CZ-CD2 4.15Å; F164-L166 HydrophobicContact CZ-CG 4.26Å; F164-L166 PolarHBondContact O-N 2.98Å
165Q63.7Low76.8Confident150 Ų15069.7 Ų69.770%0.70137%0.373SS*.PPolyproline II helixtrans-80.6117.2172.8-169.1158.41300108.7
166L65.1Low76Confident35 Ų3571.4 Ų71.418%0.18338%0.381CS..PPolyproline II helixtrans-67.5140.4169.4-79.6159.6000108.9I64 F164 A170 M171I64-L166 HydrophobicContact CD1-CD2 3.24Å; I64-L166 HydrophobicContact CG1-CD2 4.06Å; I64-L166 HydrophobicContact CG2-CD2 4.44Å; F164-L166 HydrophobicContact CD2-CD2 4.49Å; F164-L166 HydrophobicContact CD2-CG 4.32Å; F164-L166 HydrophobicContact CE2-CD2 3.52Å; F164-L166 HydrophobicContact CE2-CG 3.62Å; F164-L166 HydrophobicContact CZ-CD2 4.15Å; F164-L166 HydrophobicContact CZ-CG 4.26Å; F164-L166 PolarHBondContact O-N 2.98Å; L166-A170 HydrophobicContact CD2-CB 3.99Å; L166-M171 HydrophobicContact CB-CE 3.71Å; L166-M171 HydrophobicContact CB-CG 3.77Å; L166-M171 HydrophobicContact CD1-CG 4.25Å; L166-M171 WeakPolarHBondContact O-CE 3.26Å
167D63.1Low75.5Confident92 Ų9271.2 Ų71.249%0.49238%0.38SS..PPolyproline II helixtrans-64.8144.2163.6-71.2-30.9000109.3W169 A170D167-W169 HydrophobicContact CB-CD2 4.4Å; D167-W169 HydrophobicContact CB-CG 4.17Å; D167-W169 HydrophobicContact CB-CZ2 4.44Å; D167-W169 PolarHBondContact O-N 3.18Å; D167-W169 PolarHBondContact OD2-NE1 3.23Å; D167-A170 PolarHBondContact O-N 3.34Å
168M57.3Low75.1Confident68 Ų6872 Ų7234%0.33539%0.387SS..THydrogen-bonded Turntrans-56-26.9-176.8-66.6173.967.600113.8K176 N205 C209M168-K176 WeakPolarHBondContact O-CE 3.44Å; M168-N205 HydrophobicContact CE-CB 4.12Å; M168-N205 WeakPolarHBondContact CE-O 3.27Å; M168-N205 HydrophobicContact SD-CB 3.86Å; M168-C209 HydrophobicContact CE-CB 3.65Å
169W57Low74.7Confident203 Ų20371.5 Ų71.577%0.76938%0.384SS*.THydrogen-bonded Turntrans-75.4-23.4177.263.6-96.4000113.3D167D167-W169 HydrophobicContact CB-CD2 4.4Å; D167-W169 HydrophobicContact CB-CG 4.17Å; D167-W169 HydrophobicContact CB-CZ2 4.44Å; D167-W169 PolarHBondContact O-N 3.18Å; D167-W169 PolarHBondContact OD2-NE1 3.23Å
170A58.7Low74.5Confident14 Ų1470.2 Ų70.212%0.11638%0.378CS..THydrogen-bonded Turntrans-89.6-9.9-179.600000113.1I64 K67 L166 D167I64-A170 HydrophobicContact CD1-CB 3.87Å; K67-A170 WeakPolarHBondContact CE-O 3.25Å; K67-A170 PolarHBondContact NZ-O 3.42Å; L166-A170 HydrophobicContact CD2-CB 3.99Å; D167-A170 PolarHBondContact O-N 3.34Å
171M70.6Confident74.6Confident34 Ų3470 Ų7017%0.16738%0.377CS..SBendtrans-78.6140.4178.8-65.9-178.9-179.900112.1L166 E175 K176L166-M171 HydrophobicContact CB-CE 3.71Å; L166-M171 HydrophobicContact CB-CG 3.77Å; L166-M171 HydrophobicContact CD1-CG 4.25Å; L166-M171 WeakPolarHBondContact O-CE 3.26Å; M171-E175 VanDerWaalsContact CA-OE2 3.25Å; M171-E175 WeakPolarHBondContact CA-OE2 3.18Å; M171-E175 HydrophobicContact CB-CB 4.08Å; M171-E175 HydrophobicContact CG-CB 4.48Å; M171-K176 HydrophobicContact CB-CG 3.67Å; M171-K176 WeakPolarHBondContact O-CE 3.35Å; M171-K176 HydrophobicContact SD-CG 4.43Å
172T76.1Confident74.7Confident62 Ų6272.5 Ų72.538%0.3839%0.386SS..  trans-67.8163.4167.567.70000110.8K174 E175 K176T172-K174 PolarHBondContact O-N 2.87Å; T172-E175 PolarHBondContact N-OE2 2.89Å; T172-E175 PolarHBondContact O-N 3.04Å; T172-E175 VanDerWaalsContact OG1-CG 3.29Å; T172-E175 WeakPolarHBondContact OG1-CG 3.49Å; T172-E175 PolarHBondContact OG1-N 2.84Å; T172-E175 VanDerWaalsContact OG1-N 3.13Å; T172-K176 WeakPolarHBondContact O-CB 3.45Å; T172-K176 VanDerWaalsContact O-CG 3.29Å; T172-K176 WeakPolarHBondContact O-CG 3.45Å; T172-K176 PolarHBondContact O-N 3.21Å
173D78.8Confident75.2Confident65 Ų6569.9 Ų69.935%0.34835%0.353SS..Hα-helixtrans-58.1-35.1176.7-66.5-20.1000112.2K176 L177 L213 K216D173-K176 WeakPolarHBondContact O-CB 3.41Å; D173-L177 WeakPolarHBondContact O-CG 2.97Å; D173-L177 PolarHBondContact O-N 3.01Å; D173-L177 VanDerWaalsContact O-N 3.15Å; D173-L213 HydrophobicContact CB-CD2 3.55Å; D173-L213 WeakPolarHBondContact OD1-CD2 3.47Å; D173-K216 IonicContact OD1-NZ 3.97Å; D173-K216 PolarHBondContact OD1-NZ 2.99Å; D173-K216 IonicContact OD2-NZ 2.82Å; D173-K216 PolarHBondContact OD2-NZ 3.26Å
174K80.3Confident75.5Confident145 Ų14568.9 Ų68.963%0.6334%0.341SS*.Hα-helixtrans-69.1-48.3174.3-178.9168.3-178.9161.70112.6T172 K176 L177 D178T172-K174 PolarHBondContact O-N 2.87Å; K174-K176 PolarHBondContact O-N 3.42Å; K174-L177 WeakPolarHBondContact O-CB 3.49Å; K174-L177 PolarHBondContact O-N 3.02Å; K174-L177 VanDerWaalsContact O-N 3.11Å; K174-D178 PolarHBondContact O-N 3.4Å
175E79.4Confident76.2Confident66 Ų6671.9 Ų71.931%0.30836%0.359SS..Hα-helixtrans-61.1-36.2177.5-71.7162.7-169.800111.8K67 M171 T172 D178 S179K67-E175 IonicContact NZ-OE1 2.83Å; K67-E175 PolarHBondContact NZ-OE1 2.67Å; K67-E175 IonicContact NZ-OE2 2.72Å; K67-E175 PolarHBondContact NZ-OE2 2.8Å; M171-E175 VanDerWaalsContact CA-OE2 3.25Å; M171-E175 WeakPolarHBondContact CA-OE2 3.18Å; M171-E175 HydrophobicContact CB-CB 4.08Å; M171-E175 HydrophobicContact CG-CB 4.48Å; T172-E175 PolarHBondContact N-OE2 2.89Å; T172-E175 PolarHBondContact O-N 3.04Å; T172-E175 VanDerWaalsContact OG1-CG 3.29Å; T172-E175 WeakPolarHBondContact OG1-CG 3.49Å; T172-E175 PolarHBondContact OG1-N 2.84Å; T172-E175 VanDerWaalsContact OG1-N 3.13Å; E175-D178 PolarHBondContact O-N 3.47Å; E175-S179 WeakPolarHBondContact O-CB 3.34Å; E175-S179 PolarHBondContact O-N 3.18Å
176K78.9Confident77.5Confident36 Ų3668.7 Ų68.716%0.15734%0.344CS..Hα-helixtrans-58.2-50.7172.3-78.8174-177.9169.80110.8M168 M171 T172 D173 K174 S179 V180 C209 L213M168-K176 WeakPolarHBondContact O-CE 3.44Å; M171-K176 HydrophobicContact CB-CG 3.67Å; M171-K176 WeakPolarHBondContact O-CE 3.35Å; M171-K176 HydrophobicContact SD-CG 4.43Å; T172-K176 WeakPolarHBondContact O-CB 3.45Å; T172-K176 VanDerWaalsContact O-CG 3.29Å; T172-K176 WeakPolarHBondContact O-CG 3.45Å; T172-K176 PolarHBondContact O-N 3.21Å; D173-K176 WeakPolarHBondContact O-CB 3.41Å; K174-K176 PolarHBondContact O-N 3.42Å; K176-S179 PolarHBondContact O-N 3.35Å; K176-S179 PolarHBondContact O-OG 2.66Å; K176-V180 WeakPolarHBondContact O-CG2 3.44Å; K176-V180 PolarHBondContact O-N 2.89Å; K176-C209 VanDerWaalsContact CB-SG 3.51Å; K176-C209 VanDerWaalsContact CG-SG 3.51Å; K176-L213 HydrophobicContact CB-CD1 4.23Å; K176-L213 HydrophobicContact CD-CD2 4.43Å
177L83.1Confident78.8Confident58 Ų5867 Ų6730%0.30434%0.335SS..Hα-helixtrans-60.3-46.4177.8-73.8166000112.3D173 K174 S179 V180 L210 L213 L227 M230D173-L177 WeakPolarHBondContact O-CG 2.97Å; D173-L177 PolarHBondContact O-N 3.01Å; D173-L177 VanDerWaalsContact O-N 3.15Å; K174-L177 WeakPolarHBondContact O-CB 3.49Å; K174-L177 PolarHBondContact O-N 3.02Å; K174-L177 VanDerWaalsContact O-N 3.11Å; L177-S179 PolarHBondContact O-N 3.34Å; L177-V180 WeakPolarHBondContact O-CB 3.47Å; L177-V180 PolarHBondContact O-N 3.11Å; L177-V180 VanDerWaalsContact O-N 3.14Å; L177-L210 HydrophobicContact CD2-CD2 3.83Å; L177-L213 HydrophobicContact CD1-CD1 4.31Å; L177-L213 HydrophobicContact CD2-CD1 3.78Å; L177-L213 HydrophobicContact CG-CD1 3.67Å; L177-L227 HydrophobicContact CD2-CD2 3.58Å; L177-M230 HydrophobicContact CD2-CE 4.33Å; L177-M230 HydrophobicContact CD2-SD 4.2Å
178D84.1Confident80.3Confident103 Ų10364.5 Ų64.555%0.55132%0.321SS*.Hα-helixtrans-63.8-26.1-179.9-66.1-21.4000112.1K174 E175K174-D178 PolarHBondContact O-N 3.4Å; E175-D178 PolarHBondContact O-N 3.47Å
179S82.5Confident82.2Confident18 Ų1863.9 Ų63.913%0.12632%0.324CS..Hα-helixtrans-78.7-21.3177.278.10000114.4E175 K176 L177 L182 I183E175-S179 WeakPolarHBondContact O-CB 3.34Å; E175-S179 PolarHBondContact O-N 3.18Å; K176-S179 PolarHBondContact O-N 3.35Å; K176-S179 PolarHBondContact O-OG 2.66Å; L177-S179 PolarHBondContact O-N 3.34Å; S179-L182 WeakPolarHBondContact O-CB 3.33Å; S179-L182 PolarHBondContact O-N 3.46Å; S179-I183 WeakPolarHBondContact O-CG1 3.28Å; S179-I183 PolarHBondContact O-N 3.39Å
180V85.3Confident84Confident8 Ų855.4 Ų55.45%0.04829%0.293CS..Hα-helixtrans-58.9-46.1-172.8170.30000113.2K176 L177 L182 I183 H184 L210 M230 L234K176-V180 WeakPolarHBondContact O-CG2 3.44Å; K176-V180 PolarHBondContact O-N 2.89Å; L177-V180 WeakPolarHBondContact O-CB 3.47Å; L177-V180 PolarHBondContact O-N 3.11Å; L177-V180 VanDerWaalsContact O-N 3.14Å; V180-L182 VanDerWaalsContact C-N 3.29Å; V180-L182 PolarHBondContact O-N 3.49Å; V180-I183 PolarHBondContact O-N 3.33Å; V180-H184 WeakPolarHBondContact O-CB 3.49Å; V180-H184 PolarHBondContact O-N 3.04Å; V180-L210 HydrophobicContact CG1-CD1 4.02Å; V180-L210 HydrophobicContact CG2-CD1 4.22Å; V180-L210 HydrophobicContact CG2-CD2 3.82Å; V180-L210 HydrophobicContact CG2-CG 3.89Å; V180-M230 HydrophobicContact CB-CE 4.02Å; V180-M230 HydrophobicContact CG1-CE 3.92Å; V180-M230 HydrophobicContact CG2-CE 4.47Å; V180-L234 HydrophobicContact CG1-CD1 3.85Å
181P86.7Confident85.8Confident71 Ų7157.8 Ų57.846%0.46130%0.302SS..Hα-helixtrans-60.1-39.6178.1-24.435.5000112.7H184 D185P181-H184 WeakPolarHBondContact O-CB 3.14Å; P181-H184 PolarHBondContact O-N 3.35Å; P181-D185 PolarHBondContact O-N 3.4Å
182L86.6Confident87Confident115 Ų11564.8 Ų64.860%0.60233%0.331SS*.Hα-helixtrans-64.5-46177.6-67.6165.2000111.2S179 V180 H184 D185 E186S179-L182 WeakPolarHBondContact O-CB 3.33Å; S179-L182 PolarHBondContact O-N 3.46Å; V180-L182 VanDerWaalsContact C-N 3.29Å; V180-L182 PolarHBondContact O-N 3.49Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.49Å; L182-D185 PolarHBondContact O-N 2.71Å; L182-E186 WeakPolarHBondContact O-CG 3.41Å; L182-E186 PolarHBondContact O-N 2.87Å
183I84.8Confident87.9Confident24 Ų2467.4 Ų67.412%0.12334%0.339CS..Hα-helixtrans-64.2-38.5178.2-60.7165.4000110.8S179 V180 G187 K202 A206S179-I183 WeakPolarHBondContact O-CG1 3.28Å; S179-I183 PolarHBondContact O-N 3.39Å; V180-I183 PolarHBondContact O-N 3.33Å; I183-G187 PolarHBondContact O-N 3.13Å; I183-K202 HydrophobicContact CG2-CB 4.34Å; I183-K202 HydrophobicContact CG2-CD 4.36Å; I183-K202 WeakPolarHBondContact CG2-O 3.36Å; I183-A206 HydrophobicContact CB-CB 4.35Å; I183-A206 HydrophobicContact CG2-CB 3.8Å
184H87.8Confident88.7Confident45 Ų4566.9 Ų66.921%0.20835%0.348CS..Hα-helixtrans-60.1-46.9174.6176.9-103.2000111.6V180 P181 L182 G187 N188 L234 N237V180-H184 WeakPolarHBondContact O-CB 3.49Å; V180-H184 PolarHBondContact O-N 3.04Å; P181-H184 WeakPolarHBondContact O-CB 3.14Å; P181-H184 PolarHBondContact O-N 3.35Å; L182-H184 VanDerWaalsContact C-N 3.3Å; L182-H184 PolarHBondContact O-N 3.49Å; H184-G187 PolarHBondContact O-N 3.1Å; H184-N188 PolarHBondContact CE1-ND2 3.44Å; H184-N188 PolarHBondContact ND1-ND2 2.9Å; H184-N188 PolarHBondContact O-N 3.02Å; H184-N188 PolarHBondContact O-ND2 3.37Å; H184-L234 HydrophobicContact CB-CD2 3.91Å; H184-N237 PolarHBondContact NE2-ND2 2.94Å
185D91.1Very high89.5Confident98 Ų9863.9 Ų63.952%0.52434%0.335SS..Hα-helixtrans-69.9-37.9-178.9-72.5-14.4000112.7P181 L182 N188 S189P181-D185 PolarHBondContact O-N 3.4Å; L182-D185 PolarHBondContact O-N 2.71Å; D185-N188 PolarHBondContact O-N 3.14Å; D185-S189 WeakPolarHBondContact O-CB 3.43Å; D185-S189 PolarHBondContact O-N 3.27Å
186E90.4Very high90.3Very high82 Ų8262.3 Ų62.338%0.38333%0.329SS..Hα-helixtrans-59.3-47.9169.9-76.1-179.5-169.400111.4L182 N188 S189 L190 K202L182-E186 WeakPolarHBondContact O-CG 3.41Å; L182-E186 PolarHBondContact O-N 2.87Å; E186-N188 VanDerWaalsContact C-N 3.3Å; E186-N188 PolarHBondContact O-N 3.3Å; E186-S189 WeakPolarHBondContact O-CB 3.19Å; E186-S189 PolarHBondContact O-N 3.45Å; E186-S189 VanDerWaalsContact O-N 3.16Å; E186-L190 WeakPolarHBondContact O-CG 3.39Å; E186-L190 PolarHBondContact O-N 3.42Å; E186-K202 WeakPolarHBondContact OE2-CE 3.35Å; E186-K202 IonicContact OE2-NZ 3.8Å; E186-K202 PolarHBondContact OE2-NZ 3.17Å
187G93.2Very high91Very high0 Ų067.8 Ų67.80%035%0.353CS..Hα-helixtrans-57.1-43.8175.300000111.9I183 H184 S189 L190 F191 Y203I183-G187 PolarHBondContact O-N 3.13Å; H184-G187 PolarHBondContact O-N 3.1Å; G187-S189 VanDerWaalsContact C-N 3.34Å; G187-S189 PolarHBondContact O-N 3.05Å; G187-L190 PolarHBondContact O-N 2.89Å; G187-F191 WeakPolarHBondContact O-CB 2.99Å; G187-F191 PolarHBondContact O-N 3.49Å; G187-Y203 PolarHBondContact O-OH 2.81Å
188N94.3Very high91.5Very high39 Ų3969 Ų6921%0.20936%0.357CS..Hα-helixtrans-64.4-38.4177-68.2-23.2000112.3H184 D185 E186 K192 Y203 N237H184-N188 PolarHBondContact CE1-ND2 3.44Å; H184-N188 PolarHBondContact ND1-ND2 2.9Å; H184-N188 PolarHBondContact O-N 3.02Å; H184-N188 PolarHBondContact O-ND2 3.37Å; D185-N188 PolarHBondContact O-N 3.14Å; E186-N188 VanDerWaalsContact C-N 3.3Å; E186-N188 PolarHBondContact O-N 3.3Å; N188-K192 VanDerWaalsContact O-CG 3.29Å; N188-K192 WeakPolarHBondContact O-CG 3.15Å; N188-K192 PolarHBondContact O-N 3.44Å; N188-Y203 WeakPolarHBondContact CA-OH 3.28Å; N188-Y203 PolarHBondContact N-OH 3.15Å; N188-Y203 PolarHBondContact OD1-OH 3.45Å; N188-N237 PolarHBondContact OD1-ND2 3.1Å
189S95.9Very high92.1Very high56 Ų5664 Ų6439%0.39233%0.33SS..Hα-helixtrans-64.6-47.4175.9-171.50000111.2D185 E186 G187 F191 K192 Q193D185-S189 WeakPolarHBondContact O-CB 3.43Å; D185-S189 PolarHBondContact O-N 3.27Å; E186-S189 WeakPolarHBondContact O-CB 3.19Å; E186-S189 PolarHBondContact O-N 3.45Å; E186-S189 VanDerWaalsContact O-N 3.16Å; G187-S189 VanDerWaalsContact C-N 3.34Å; G187-S189 PolarHBondContact O-N 3.05Å; S189-F191 VanDerWaalsContact C-N 3.34Å; S189-F191 PolarHBondContact O-N 2.94Å; S189-K192 PolarHBondContact O-N 3.42Å; S189-Q193 VanDerWaalsContact O-CG 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.35Å; S189-Q193 PolarHBondContact O-N 3.44Å; S189-Q193 PolarHBondContact O-NE2 3.45Å; S189-Q193 PolarHBondContact OG-NE2 3.1Å
190L95.3Very high92.6Very high24 Ų2463.9 Ų63.913%0.12633%0.328CS..Hα-helixtrans-62-41.3176.9-70.5166.6000112E186 G187 K192 Q193 G194 K195 E198 A199 K202E186-L190 WeakPolarHBondContact O-CG 3.39Å; E186-L190 PolarHBondContact O-N 3.42Å; G187-L190 PolarHBondContact O-N 2.89Å; L190-K192 PolarHBondContact O-N 3.07Å; L190-Q193 PolarHBondContact O-N 2.86Å; L190-G194 PolarHBondContact O-N 3.28Å; L190-K195 HydrophobicContact CB-CB 4.4Å; L190-K195 HydrophobicContact CD2-CB 4.24Å; L190-K195 HydrophobicContact CD2-CD 3.69Å; L190-K195 PolarHBondContact O-N 2.69Å; L190-E198 HydrophobicContact CD1-CB 3.97Å; L190-E198 HydrophobicContact CD2-CB 4.13Å; L190-E198 WeakPolarHBondContact CD2-OE2 3.37Å; L190-E198 HydrophobicContact CG-CB 4.5Å; L190-A199 HydrophobicContact CB-CB 3.89Å; L190-K202 HydrophobicContact CD1-CG 3.78Å
191F96.5Very high92.9Very high65 Ų6569.3 Ų69.329%0.28535%0.354SS..Hα-helixtrans-60.4-46.1176.1-174.5-91.2000111.5G187 S189 Q193 G194 I196 A199 Q240 C241 L244G187-F191 WeakPolarHBondContact O-CB 2.99Å; G187-F191 PolarHBondContact O-N 3.49Å; S189-F191 VanDerWaalsContact C-N 3.34Å; S189-F191 PolarHBondContact O-N 2.94Å; F191-Q193 PolarHBondContact O-N 3.25Å; F191-G194 PolarHBondContact O-N 2.96Å; F191-I196 HydrophobicContact CD2-CD1 3.97Å; F191-I196 HydrophobicContact CE2-CD1 4.06Å; F191-A199 HydrophobicContact CB-CB 4.13Å; F191-Q240 HydrophobicContact CE2-CB 4.45Å; F191-Q240 HydrophobicContact CE2-CG 3.87Å; F191-Q240 HydrophobicContact CZ-CG 3.66Å; F191-C241 VanDerWaalsContact CD2-SG 3.58Å; F191-L244 HydrophobicContact CE2-CD1 3.65Å; F191-L244 HydrophobicContact CZ-CD1 3.87Å
192K96Very high93.1Very high180 Ų18068.5 Ų68.578%0.78334%0.343SS*.Hα-helixtrans-62.9-30.2176.5-73.4173.1-177.2177.70113N188 S189 L190 G194N188-K192 VanDerWaalsContact O-CG 3.29Å; N188-K192 WeakPolarHBondContact O-CG 3.15Å; N188-K192 PolarHBondContact O-N 3.44Å; S189-K192 PolarHBondContact O-N 3.42Å; L190-K192 PolarHBondContact O-N 3.07Å; K192-G194 PolarHBondContact O-N 3.43Å
193Q96.2Very high93.5Very high118 Ų11863.1 Ų63.155%0.55131%0.314SS*.THydrogen-bonded Turntrans-78.4-2.8175.2-67168.63700113.3S189 L190 F191 K195S189-Q193 VanDerWaalsContact O-CG 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.35Å; S189-Q193 PolarHBondContact O-N 3.44Å; S189-Q193 PolarHBondContact O-NE2 3.45Å; S189-Q193 PolarHBondContact OG-NE2 3.1Å; L190-Q193 PolarHBondContact O-N 2.86Å; F191-Q193 PolarHBondContact O-N 3.25Å; Q193-K195 VanDerWaalsContact C-N 3.26Å; Q193-K195 HydrophobicContact CB-CD 4.36Å; Q193-K195 HydrophobicContact CB-CG 4.37Å; Q193-K195 PolarHBondContact O-N 2.83Å
194G94.9Very high93.8Very high53 Ų5368.1 Ų68.155%0.54633%0.333SS..THydrogen-bonded Turntrans78.16.6-176.900000114.2L190 F191 K192 I196L190-G194 PolarHBondContact O-N 3.28Å; F191-G194 PolarHBondContact O-N 2.96Å; K192-G194 PolarHBondContact O-N 3.43Å; G194-I196 PolarHBondContact O-N 3.49Å
195K96.6Very high93.7Very high82 Ų8269 Ų6936%0.35734%0.339SS..  trans-82.267177.8-67.7173.6149.6-143.70110.6L190 Q193 K197 E198 A199L190-K195 HydrophobicContact CB-CB 4.4Å; L190-K195 HydrophobicContact CD2-CB 4.24Å; L190-K195 HydrophobicContact CD2-CD 3.69Å; L190-K195 PolarHBondContact O-N 2.69Å; Q193-K195 VanDerWaalsContact C-N 3.26Å; Q193-K195 HydrophobicContact CB-CD 4.36Å; Q193-K195 HydrophobicContact CB-CG 4.37Å; Q193-K195 PolarHBondContact O-N 2.83Å; K195-K197 PolarHBondContact O-N 3Å; K195-E198 HydrophobicContact CB-CB 4.25Å; K195-E198 HydrophobicContact CB-CG 4.46Å; K195-E198 WeakPolarHBondContact CD-OE1 3.39Å; K195-E198 WeakPolarHBondContact CD-OE2 3.41Å; K195-E198 WeakPolarHBondContact CE-OE1 3.38Å; K195-E198 IonicContact NZ-OE1 3.64Å; K195-E198 PolarHBondContact NZ-OE1 2.84Å; K195-E198 IonicContact NZ-OE2 2.72Å; K195-E198 PolarHBondContact NZ-OE2 3.29Å; K195-E198 PolarHBondContact O-N 2.97Å; K195-A199 PolarHBondContact O-N 3.39Å
196I96.7Very high93.7Very high34 Ų3464.4 Ų64.417%0.17431%0.314CS..Hα-helixtrans-61.5-40.8-168.7-53.8-49.9000112.3F191 G194 A199 T200 C241 L244 Q245F191-I196 HydrophobicContact CD2-CD1 3.97Å; F191-I196 HydrophobicContact CE2-CD1 4.06Å; G194-I196 PolarHBondContact O-N 3.49Å; I196-A199 PolarHBondContact O-N 3.02Å; I196-T200 WeakPolarHBondContact O-CB 3.4Å; I196-T200 PolarHBondContact O-N 2.62Å; I196-T200 PolarHBondContact O-OG1 3.44Å; I196-C241 HydrophobicContact CG2-CB 3.92Å; I196-L244 HydrophobicContact CD1-CD1 3.66Å; I196-L244 HydrophobicContact CG1-CD1 4.07Å; I196-L244 HydrophobicContact CG2-CB 4.06Å; I196-L244 HydrophobicContact CG2-CD1 4.33Å; I196-Q245 HydrophobicContact CG2-CG 4.11Å
197K93.9Very high93.7Very high150 Ų15061 Ų6165%0.65230%0.298SS*.Hα-helixtrans-65.1-47.6179.7-66.7-172.1177.4-174.50112.3K195 A199 T200 E201K195-K197 PolarHBondContact O-N 3Å; K197-A199 VanDerWaalsContact C-N 3.32Å; K197-A199 PolarHBondContact O-N 3.24Å; K197-T200 VanDerWaalsContact O-CB 3.28Å; K197-T200 WeakPolarHBondContact O-CB 3.29Å; K197-T200 PolarHBondContact O-N 3.36Å; K197-T200 VanDerWaalsContact O-N 3.1Å; K197-E201 PolarHBondContact O-N 3.33Å
198E93Very high93.4Very high83 Ų8362.3 Ų62.339%0.38831%0.309SS..Hα-helixtrans-60.6-42.1176.9-63.1171.1-128.700111L190 K195 T200 E201 K202L190-E198 HydrophobicContact CD1-CB 3.97Å; L190-E198 HydrophobicContact CD2-CB 4.13Å; L190-E198 WeakPolarHBondContact CD2-OE2 3.37Å; L190-E198 HydrophobicContact CG-CB 4.5Å; K195-E198 HydrophobicContact CB-CB 4.25Å; K195-E198 HydrophobicContact CB-CG 4.46Å; K195-E198 WeakPolarHBondContact CD-OE1 3.39Å; K195-E198 WeakPolarHBondContact CD-OE2 3.41Å; K195-E198 WeakPolarHBondContact CE-OE1 3.38Å; K195-E198 IonicContact NZ-OE1 3.64Å; K195-E198 PolarHBondContact NZ-OE1 2.84Å; K195-E198 IonicContact NZ-OE2 2.72Å; K195-E198 PolarHBondContact NZ-OE2 3.29Å; K195-E198 PolarHBondContact O-N 2.97Å; E198-T200 VanDerWaalsContact C-N 3.35Å; E198-T200 PolarHBondContact O-N 3.18Å; E198-E201 PolarHBondContact O-N 3.43Å; E198-K202 WeakPolarHBondContact O-CG 3.29Å; E198-K202 PolarHBondContact O-N 3.03Å; E198-K202 VanDerWaalsContact O-N 3.11Å
199A96Very high92.9Very high0 Ų060.7 Ų60.70%030%0.301CS..Hα-helixtrans-62.3-41174.200000112.3L190 F191 K195 I196 K197 K202 Y203L190-A199 HydrophobicContact CB-CB 3.89Å; F191-A199 HydrophobicContact CB-CB 4.13Å; K195-A199 PolarHBondContact O-N 3.39Å; I196-A199 PolarHBondContact O-N 3.02Å; K197-A199 VanDerWaalsContact C-N 3.32Å; K197-A199 PolarHBondContact O-N 3.24Å; A199-K202 PolarHBondContact O-N 3.25Å; A199-Y203 HydrophobicContact CB-CE2 4.13Å; A199-Y203 WeakPolarHBondContact O-CD2 3.16Å; A199-Y203 PolarHBondContact O-N 2.85Å
200T94.6Very high92.6Very high14 Ų1458 Ų589%0.08628%0.283CS..Hα-helixtrans-58.9-49.2178.1-56.50000111I196 K197 E198 K202 Y203 Y204 Y238 C241 L242 Q245I196-T200 WeakPolarHBondContact O-CB 3.4Å; I196-T200 PolarHBondContact O-N 2.62Å; I196-T200 PolarHBondContact O-OG1 3.44Å; K197-T200 VanDerWaalsContact O-CB 3.28Å; K197-T200 WeakPolarHBondContact O-CB 3.29Å; K197-T200 PolarHBondContact O-N 3.36Å; K197-T200 VanDerWaalsContact O-N 3.1Å; E198-T200 VanDerWaalsContact C-N 3.35Å; E198-T200 PolarHBondContact O-N 3.18Å; T200-K202 VanDerWaalsContact C-N 3.33Å; T200-K202 PolarHBondContact O-N 3.34Å; T200-Y203 PolarHBondContact O-N 3.01Å; T200-Y204 WeakPolarHBondContact O-CB 3.47Å; T200-Y204 PolarHBondContact O-N 2.87Å; T200-Y238 HydrophobicContact CG2-CD2 3.89Å; T200-Y238 HydrophobicContact CG2-CE2 3.41Å; T200-Y238 VanDerWaalsContact CG2-CE2 3.41Å; T200-C241 WeakPolarHBondContact OG1-CB 3.41Å; T200-L242 HydrophobicContact CG2-CD2 4.43Å; T200-Q245 PolarHBondContact OG1-NE2 3.4Å
201E91.1Very high92.3Very high123 Ų12361 Ų6158%0.57529%0.294SS*.Hα-helixtrans-61-41.6177.8-70.6174.4-173.100111.6K197 E198 Y204 N205K197-E201 PolarHBondContact O-N 3.33Å; E198-E201 PolarHBondContact O-N 3.43Å; E201-Y204 PolarHBondContact O-N 3.2Å; E201-N205 WeakPolarHBondContact O-CB 3.41Å; E201-N205 PolarHBondContact O-N 3.13Å; E201-N205 PolarHBondContact O-ND2 3.43Å; E201-N205 VanDerWaalsContact O-ND2 3.16Å
202K90.9Very high91.7Very high54 Ų5462.5 Ų62.524%0.23531%0.306CS..Hα-helixtrans-61.7-48.6176.9-72.5-74.6-179.31660112.3I183 E186 L190 E198 A199 T200 N205 A206I183-K202 HydrophobicContact CG2-CB 4.34Å; I183-K202 HydrophobicContact CG2-CD 4.36Å; I183-K202 WeakPolarHBondContact CG2-O 3.36Å; E186-K202 WeakPolarHBondContact OE2-CE 3.35Å; E186-K202 IonicContact OE2-NZ 3.8Å; E186-K202 PolarHBondContact OE2-NZ 3.17Å; L190-K202 HydrophobicContact CD1-CG 3.78Å; E198-K202 WeakPolarHBondContact O-CG 3.29Å; E198-K202 PolarHBondContact O-N 3.03Å; E198-K202 VanDerWaalsContact O-N 3.11Å; A199-K202 PolarHBondContact O-N 3.25Å; T200-K202 VanDerWaalsContact C-N 3.33Å; T200-K202 PolarHBondContact O-N 3.34Å; K202-N205 PolarHBondContact O-N 3.23Å; K202-A206 PolarHBondContact O-N 3.15Å; K202-A206 VanDerWaalsContact O-N 3.1Å
203Y94.5Very high91.3Very high2 Ų254.3 Ų54.31%0.00827%0.27CS..Hα-helixtrans-64.6-42.5177.3-62.3-52.1000111.9G187 N188 A199 T200 N205 A206 I207 L234 N237G187-Y203 PolarHBondContact O-OH 2.81Å; N188-Y203 WeakPolarHBondContact CA-OH 3.28Å; N188-Y203 PolarHBondContact N-OH 3.15Å; N188-Y203 PolarHBondContact OD1-OH 3.45Å; A199-Y203 HydrophobicContact CB-CE2 4.13Å; A199-Y203 WeakPolarHBondContact O-CD2 3.16Å; A199-Y203 PolarHBondContact O-N 2.85Å; T200-Y203 PolarHBondContact O-N 3.01Å; Y203-N205 PolarHBondContact O-N 3.13Å; Y203-A206 PolarHBondContact O-N 3.01Å; Y203-I207 WeakPolarHBondContact O-CD1 3.45Å; Y203-I207 WeakPolarHBondContact O-CG1 3.41Å; Y203-I207 PolarHBondContact O-N 3.37Å; Y203-L234 HydrophobicContact CD1-CD2 3.88Å; Y203-N237 HydrophobicContact CD1-CB 4.16Å; Y203-N237 HydrophobicContact CD2-CB 4.13Å; Y203-N237 HydrophobicContact CE1-CB 3.79Å; Y203-N237 HydrophobicContact CE2-CB 3.77Å; Y203-N237 HydrophobicContact CG-CB 4.31Å
204Y91.7Very high90.8Very high129 Ų12949.9 Ų49.951%0.50625%0.25SC..Hα-helixtrans-56.9-48.4176.7175.5-97.4000111.7T200 E201 A206 I207 A208 Y238T200-Y204 WeakPolarHBondContact O-CB 3.47Å; T200-Y204 PolarHBondContact O-N 2.87Å; E201-Y204 PolarHBondContact O-N 3.2Å; Y204-A206 PolarHBondContact O-N 2.95Å; Y204-I207 PolarHBondContact O-N 3.25Å; Y204-A208 WeakPolarHBondContact O-CB 3.34Å; Y204-A208 PolarHBondContact O-N 2.96Å; Y204-Y238 HydrophobicContact CD2-CE2 4.38Å
205N85.6Confident90.3Very high64 Ų6455 Ų5534%0.34226%0.261SS..Hα-helixtrans-61.2-44178.9-72.1-23.6000111.8M168 E201 K202 Y203 I207 A208 C209M168-N205 HydrophobicContact CE-CB 4.12Å; M168-N205 WeakPolarHBondContact CE-O 3.27Å; M168-N205 HydrophobicContact SD-CB 3.86Å; E201-N205 WeakPolarHBondContact O-CB 3.41Å; E201-N205 PolarHBondContact O-N 3.13Å; E201-N205 PolarHBondContact O-ND2 3.43Å; E201-N205 VanDerWaalsContact O-ND2 3.16Å; K202-N205 PolarHBondContact O-N 3.23Å; Y203-N205 PolarHBondContact O-N 3.13Å; N205-I207 PolarHBondContact O-N 2.94Å; N205-A208 PolarHBondContact O-N 3.43Å; N205-C209 WeakPolarHBondContact O-CB 3.38Å; N205-C209 PolarHBondContact O-N 3.01Å
206A89.6Confident89.8Confident0 Ų057 Ų570%027%0.27CS..Hα-helixtrans-61.9-43.6175.800000112.5I183 K202 Y203 Y204 C209 L210 L234I183-A206 HydrophobicContact CB-CB 4.35Å; I183-A206 HydrophobicContact CG2-CB 3.8Å; K202-A206 PolarHBondContact O-N 3.15Å; K202-A206 VanDerWaalsContact O-N 3.1Å; Y203-A206 PolarHBondContact O-N 3.01Å; Y204-A206 PolarHBondContact O-N 2.95Å; A206-C209 WeakPolarHBondContact O-CB 3.41Å; A206-C209 PolarHBondContact O-N 2.88Å; A206-L210 PolarHBondContact O-N 3.45Å; A206-L234 HydrophobicContact CB-CD1 3.88Å; A206-L234 HydrophobicContact CB-CD2 3.93Å
207I91.3Very high89.3Confident10 Ų1059.1 Ų59.15%0.05128%0.279CS..Hα-helixtrans-63.6-46.7177.9-66.6159.2000110.6Y203 Y204 N205 C209 L210 K211 I231 L234 L235 Y238Y203-I207 WeakPolarHBondContact O-CD1 3.45Å; Y203-I207 WeakPolarHBondContact O-CG1 3.41Å; Y203-I207 PolarHBondContact O-N 3.37Å; Y204-I207 PolarHBondContact O-N 3.25Å; N205-I207 PolarHBondContact O-N 2.94Å; I207-C209 VanDerWaalsContact C-N 3.27Å; I207-C209 PolarHBondContact O-N 3.29Å; I207-L210 PolarHBondContact O-N 3.45Å; I207-K211 HydrophobicContact CG2-CD 3.96Å; I207-K211 HydrophobicContact CG2-CG 4.22Å; I207-K211 WeakPolarHBondContact O-CB 3.36Å; I207-K211 WeakPolarHBondContact O-CG 3.43Å; I207-K211 PolarHBondContact O-N 3.07Å; I207-I231 HydrophobicContact CG2-CG2 4.3Å; I207-L234 HydrophobicContact CD1-CB 4.26Å; I207-L234 HydrophobicContact CG1-CB 3.76Å; I207-L235 HydrophobicContact CD1-CB 4.23Å; I207-L235 HydrophobicContact CD1-CD1 4.01Å; I207-Y238 HydrophobicContact CD1-CD1 4.45Å; I207-Y238 HydrophobicContact CD1-CG 4.09Å
208A86.9Confident88.8Confident28 Ų2858.6 Ų58.623%0.23128%0.279CS..Hα-helixtrans-60-40.6177.900000111.3Y204 N205 N212Y204-A208 WeakPolarHBondContact O-CB 3.34Å; Y204-A208 PolarHBondContact O-N 2.96Å; N205-A208 PolarHBondContact O-N 3.43Å; A208-N212 WeakPolarHBondContact O-CB 3.4Å; A208-N212 PolarHBondContact O-N 3.49Å; A208-N212 PolarHBondContact O-ND2 3.4Å
209C84.7Confident88.4Confident6 Ų659.6 Ų59.64%0.04129%0.292CS..Hα-helixtrans-59.5-52.2175.3-167.60000112.1M168 K176 N205 A206 I207 N212 L213M168-C209 HydrophobicContact CE-CB 3.65Å; K176-C209 VanDerWaalsContact CB-SG 3.51Å; K176-C209 VanDerWaalsContact CG-SG 3.51Å; N205-C209 WeakPolarHBondContact O-CB 3.38Å; N205-C209 PolarHBondContact O-N 3.01Å; A206-C209 WeakPolarHBondContact O-CB 3.41Å; A206-C209 PolarHBondContact O-N 2.88Å; I207-C209 VanDerWaalsContact C-N 3.27Å; I207-C209 PolarHBondContact O-N 3.29Å; C209-N212 PolarHBondContact O-N 3.35Å; C209-L213 PolarHBondContact O-N 2.93Å
210L89.4Confident87.8Confident0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-66.3-39.9-179.8-73.9172.6000112.6L177 V180 A206 I207 N212 L213 Q214 L227 M230 I231 L234L177-L210 HydrophobicContact CD2-CD2 3.83Å; V180-L210 HydrophobicContact CG1-CD1 4.02Å; V180-L210 HydrophobicContact CG2-CD1 4.22Å; V180-L210 HydrophobicContact CG2-CD2 3.82Å; V180-L210 HydrophobicContact CG2-CG 3.89Å; A206-L210 PolarHBondContact O-N 3.45Å; I207-L210 PolarHBondContact O-N 3.45Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-N212 PolarHBondContact O-N 3.16Å; L210-L213 WeakPolarHBondContact O-CB 3.49Å; L210-L213 PolarHBondContact O-N 2.91Å; L210-L213 VanDerWaalsContact O-N 3.15Å; L210-Q214 WeakPolarHBondContact O-CB 3.49Å; L210-Q214 PolarHBondContact O-N 3.1Å; L210-L227 HydrophobicContact CD2-CD2 3.85Å; L210-M230 HydrophobicContact CD1-CB 3.87Å; L210-M230 HydrophobicContact CD2-CB 4.38Å; L210-M230 HydrophobicContact CD2-CE 4.29Å; L210-M230 HydrophobicContact CD2-SD 4.39Å; L210-I231 HydrophobicContact CB-CD1 3.84Å; L210-I231 HydrophobicContact CB-CG1 3.41Å; L210-I231 VanDerWaalsContact CB-CG1 3.41Å; L210-I231 HydrophobicContact CD1-CG1 3.7Å; L210-I231 HydrophobicContact CG-CG1 4.21Å; L210-L234 HydrophobicContact CD1-CD1 3.54Å
211K88.3Confident87.6Confident85 Ų8565.5 Ų65.537%0.3734%0.337SS..Hα-helixtrans-62-40.2175.4-77.6-174.2174.9-175.80111.9I207 L213 Q214 M215 I231I207-K211 HydrophobicContact CG2-CD 3.96Å; I207-K211 HydrophobicContact CG2-CG 4.22Å; I207-K211 WeakPolarHBondContact O-CB 3.36Å; I207-K211 WeakPolarHBondContact O-CG 3.43Å; I207-K211 PolarHBondContact O-N 3.07Å; K211-L213 VanDerWaalsContact C-N 3.26Å; K211-L213 PolarHBondContact O-N 3.36Å; K211-Q214 PolarHBondContact O-N 3.36Å; K211-M215 WeakPolarHBondContact O-CG 3.41Å; K211-M215 PolarHBondContact O-N 3.38Å; K211-I231 HydrophobicContact CG-CD1 3.95Å
212N85Confident87.6Confident98 Ų9866.9 Ų66.952%0.52434%0.344SS..Hα-helixtrans-63-32.8175.3-75.1-25.1000112.7A208 C209 L210A208-N212 WeakPolarHBondContact O-CB 3.4Å; A208-N212 PolarHBondContact O-N 3.49Å; A208-N212 PolarHBondContact O-ND2 3.4Å; C209-N212 PolarHBondContact O-N 3.35Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-N212 PolarHBondContact O-N 3.16Å
213L86.1Confident87.4Confident8 Ų866.1 Ų66.14%0.04235%0.348CS..Hα-helixtrans-72.3-44.6171.8-63.5177000110.9D173 K176 L177 C209 L210 K211 M215 K216 L227D173-L213 HydrophobicContact CB-CD2 3.55Å; D173-L213 WeakPolarHBondContact OD1-CD2 3.47Å; K176-L213 HydrophobicContact CB-CD1 4.23Å; K176-L213 HydrophobicContact CD-CD2 4.43Å; L177-L213 HydrophobicContact CD1-CD1 4.31Å; L177-L213 HydrophobicContact CD2-CD1 3.78Å; L177-L213 HydrophobicContact CG-CD1 3.67Å; C209-L213 PolarHBondContact O-N 2.93Å; L210-L213 WeakPolarHBondContact O-CB 3.49Å; L210-L213 PolarHBondContact O-N 2.91Å; L210-L213 VanDerWaalsContact O-N 3.15Å; K211-L213 VanDerWaalsContact C-N 3.26Å; K211-L213 PolarHBondContact O-N 3.36Å; L213-M215 PolarHBondContact O-N 2.95Å; L213-K216 WeakPolarHBondContact O-CB 3.42Å; L213-K216 PolarHBondContact O-N 2.89Å; L213-L227 HydrophobicContact CB-CD1 4.1Å; L213-L227 HydrophobicContact CB-CD2 4.17Å; L213-L227 HydrophobicContact CD1-CD2 4.41Å
214Q87.1Confident87.3Confident24 Ų2468.3 Ų68.311%0.11236%0.356CS..Hα-helixtrans-59.8-32.8-179.8-172.8-17857.400112.4L210 K211 K216 E217 W224 L227 D228L210-Q214 WeakPolarHBondContact O-CB 3.49Å; L210-Q214 PolarHBondContact O-N 3.1Å; K211-Q214 PolarHBondContact O-N 3.36Å; Q214-K216 PolarHBondContact O-N 3.41Å; Q214-E217 PolarHBondContact O-N 3.11Å; Q214-E217 VanDerWaalsContact O-N 3.13Å; Q214-W224 VanDerWaalsContact CG-CD1 3.41Å; Q214-W224 HydrophobicContact CG-CD2 4.18Å; Q214-W224 HydrophobicContact CG-CG 4.01Å; Q214-W224 HydrophobicContact CG-CZ2 4.34Å; Q214-L227 HydrophobicContact CB-CB 4.3Å; Q214-L227 HydrophobicContact CB-CD1 4.08Å; Q214-D228 PolarHBondContact NE2-OD1 3.33Å
215M83.3Confident87.2Confident160 Ų16064.6 Ų64.679%0.78835%0.347SS*.THydrogen-bonded Turntrans-65.5-16.5174.9-73.4-179.272.500114.5K211 L213K211-M215 WeakPolarHBondContact O-CG 3.41Å; K211-M215 PolarHBondContact O-N 3.38Å; L213-M215 PolarHBondContact O-N 2.95Å
216K85.7Confident87.4Confident124 Ų12466.3 Ų66.354%0.53935%0.352SS..THydrogen-bonded Turntrans-86.6-14.7175.3-59.7175176.8178.50112.5D173 L213 Q214D173-K216 IonicContact OD1-NZ 3.97Å; D173-K216 PolarHBondContact OD1-NZ 2.99Å; D173-K216 IonicContact OD2-NZ 2.82Å; D173-K216 PolarHBondContact OD2-NZ 3.26Å; L213-K216 WeakPolarHBondContact O-CB 3.42Å; L213-K216 PolarHBondContact O-N 2.89Å; Q214-K216 PolarHBondContact O-N 3.41Å
217E87.6Confident87.5Confident79 Ų7966.9 Ų66.937%0.36936%0.356SS..SBendtrans-103.7155.5-176.4-54.6-55.9145.900111.1Q214 A223 W224 L227Q214-E217 PolarHBondContact O-N 3.11Å; Q214-E217 VanDerWaalsContact O-N 3.13Å; E217-A223 HydrophobicContact CG-CB 4.25Å; E217-W224 HydrophobicContact CB-CB 3.98Å; E217-L227 HydrophobicContact CG-CD1 3.98Å
218H82.6Confident87.5Confident140 Ų14066.6 Ų66.665%0.64835%0.354SS*.PPolyproline II helixtrans-81.6134.4175.7-72.6-68.9000111.7G220 D221 W224H218-G220 PolarHBondContact O-N 3.49Å; H218-D221 WeakPolarHBondContact CB-OD2 3.04Å; H218-D221 WeakPolarHBondContact O-CB 3.36Å; H218-D221 PolarHBondContact O-N 3.42Å; H218-D221 VanDerWaalsContact O-N 3.09Å; H218-W224 WeakPolarHBondContact O-CB 3.37Å
219P85.6Confident87.7Confident103 Ų10370.9 Ų70.967%0.66937%0.369SS*.THydrogen-bonded Turntrans-55.3124.1175.4-26.334.7000112.3
220G82.6Confident88Confident59 Ų5973.7 Ų73.761%0.60838%0.383SS*.THydrogen-bonded Turntrans100.4-15.8-179.300000114.8H218H218-G220 PolarHBondContact O-N 3.49Å
221D90.4Very high88.2Confident79 Ų7973.8 Ų73.842%0.42238%0.383SS..SBendtrans-67.1154.3173.6-73.4-3.7000111.3H218 A223 W224 V225H218-D221 WeakPolarHBondContact CB-OD2 3.04Å; H218-D221 WeakPolarHBondContact O-CB 3.36Å; H218-D221 PolarHBondContact O-N 3.42Å; H218-D221 VanDerWaalsContact O-N 3.09Å; D221-A223 VanDerWaalsContact C-N 3.28Å; D221-A223 PolarHBondContact O-N 2.55Å; D221-W224 HydrophobicContact CB-CB 4.44Å; D221-W224 WeakPolarHBondContact O-CB 3.47Å; D221-W224 PolarHBondContact O-N 3.45Å; D221-V225 WeakPolarHBondContact O-CG2 3.42Å; D221-V225 PolarHBondContact O-N 3.21Å
222E90.3Very high88.6Confident152 Ų15270.5 Ų70.571%0.7137%0.37SS*.Hα-helixtrans-55.7-44-178.1-167.7-174.9168.300111.9W224 V225 Q226E222-W224 PolarHBondContact O-N 3Å; E222-V225 PolarHBondContact O-N 3.33Å; E222-Q226 WeakPolarHBondContact O-CB 3.48Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 3.29Å; E222-Q226 PolarHBondContact OE1-NE2 3.45Å
223A88.3Confident89Confident39 Ų3968.6 Ų68.632%0.32236%0.363SS..Hα-helixtrans-62.7-41.517700000112.2E217 D221 Q226 L227E217-A223 HydrophobicContact CG-CB 4.25Å; D221-A223 VanDerWaalsContact C-N 3.28Å; D221-A223 PolarHBondContact O-N 2.55Å; A223-Q226 PolarHBondContact O-N 3.28Å; A223-L227 VanDerWaalsContact O-CG 3.27Å; A223-L227 WeakPolarHBondContact O-CG 3.4Å; A223-L227 PolarHBondContact O-N 3Å
224W91.5Very high89.5Confident48 Ų4868.3 Ų68.318%0.18236%0.362CS..Hα-helixtrans-63.7-43.3176.9-172.7102.4000111.5Q214 E217 H218 D221 E222 L227 D228Q214-W224 VanDerWaalsContact CG-CD1 3.41Å; Q214-W224 HydrophobicContact CG-CD2 4.18Å; Q214-W224 HydrophobicContact CG-CG 4.01Å; Q214-W224 HydrophobicContact CG-CZ2 4.34Å; E217-W224 HydrophobicContact CB-CB 3.98Å; H218-W224 WeakPolarHBondContact O-CB 3.37Å; D221-W224 HydrophobicContact CB-CB 4.44Å; D221-W224 WeakPolarHBondContact O-CB 3.47Å; D221-W224 PolarHBondContact O-N 3.45Å; E222-W224 PolarHBondContact O-N 3Å; W224-L227 PolarHBondContact O-N 3Å; W224-D228 HydrophobicContact CE3-CB 4.18Å; W224-D228 HydrophobicContact CH2-CB 4.16Å; W224-D228 HydrophobicContact CZ3-CB 3.77Å; W224-D228 PolarHBondContact O-N 2.94Å
225V89.6Confident90Very high51 Ų5167.6 Ų67.631%0.30936%0.359SS..Hα-helixtrans-66.1-42.2179.1174.30000110.9D221 E222 L227 D228 Q229D221-V225 WeakPolarHBondContact O-CG2 3.42Å; D221-V225 PolarHBondContact O-N 3.21Å; E222-V225 PolarHBondContact O-N 3.33Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L227 PolarHBondContact O-N 2.93Å; V225-D228 PolarHBondContact O-N 3.09Å; V225-Q229 HydrophobicContact CG1-CG 4.46Å; V225-Q229 WeakPolarHBondContact O-CG 3.49Å; V225-Q229 PolarHBondContact O-N 3.42Å
226Q90Very high90.7Very high99 Ų9960.6 Ų60.646%0.46332%0.324SS..Hα-helixtrans-59.6-44.7174.9-73.4176.316.200111.4E222 A223 D228 Q229 M230E222-Q226 WeakPolarHBondContact O-CB 3.48Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 3.29Å; E222-Q226 PolarHBondContact OE1-NE2 3.45Å; A223-Q226 PolarHBondContact O-N 3.28Å; Q226-D228 VanDerWaalsContact C-N 3.35Å; Q226-D228 PolarHBondContact O-N 3.27Å; Q226-Q229 PolarHBondContact O-N 3.36Å; Q226-M230 WeakPolarHBondContact O-CG 3.4Å; Q226-M230 PolarHBondContact O-N 3.28Å
227L91.1Very high91.2Very high13 Ų1356.8 Ų56.87%0.06831%0.31CS..Hα-helixtrans-61.5-42.3175.2-68.9168.7000111.7L177 L210 L213 Q214 E217 A223 W224 V225 Q229 M230 I231L177-L227 HydrophobicContact CD2-CD2 3.58Å; L210-L227 HydrophobicContact CD2-CD2 3.85Å; L213-L227 HydrophobicContact CB-CD1 4.1Å; L213-L227 HydrophobicContact CB-CD2 4.17Å; L213-L227 HydrophobicContact CD1-CD2 4.41Å; Q214-L227 HydrophobicContact CB-CB 4.3Å; Q214-L227 HydrophobicContact CB-CD1 4.08Å; E217-L227 HydrophobicContact CG-CD1 3.98Å; A223-L227 VanDerWaalsContact O-CG 3.27Å; A223-L227 WeakPolarHBondContact O-CG 3.4Å; A223-L227 PolarHBondContact O-N 3Å; W224-L227 PolarHBondContact O-N 3Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L227 PolarHBondContact O-N 2.93Å; L227-Q229 VanDerWaalsContact C-N 3.34Å; L227-Q229 PolarHBondContact O-N 2.91Å; L227-M230 PolarHBondContact O-N 3.02Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.43Å; L227-I231 PolarHBondContact O-N 3.25Å
228D91.2Very high91.7Very high3 Ų354 Ų542%0.01630%0.296CS..Hα-helixtrans-65.6-37.8178.9-150.556.7000112.2Q214 W224 V225 Q226 M230 I231 T232 K261 Y262Q214-D228 PolarHBondContact NE2-OD1 3.33Å; W224-D228 HydrophobicContact CE3-CB 4.18Å; W224-D228 HydrophobicContact CH2-CB 4.16Å; W224-D228 HydrophobicContact CZ3-CB 3.77Å; W224-D228 PolarHBondContact O-N 2.94Å; V225-D228 PolarHBondContact O-N 3.09Å; Q226-D228 VanDerWaalsContact C-N 3.35Å; Q226-D228 PolarHBondContact O-N 3.27Å; D228-M230 VanDerWaalsContact C-N 3.32Å; D228-M230 PolarHBondContact O-N 2.99Å; D228-I231 PolarHBondContact O-N 2.93Å; D228-T232 PolarHBondContact O-N 3.5Å; D228-T232 PolarHBondContact O-OG1 3.24Å; D228-K261 IonicContact OD1-NZ 2.89Å; D228-K261 PolarHBondContact OD1-NZ 2.94Å; D228-K261 IonicContact OD2-NZ 2.7Å; D228-K261 PolarHBondContact OD2-NZ 3.38Å; D228-Y262 WeakPolarHBondContact OD2-CE2 3.44Å; D228-Y262 PolarHBondContact OD2-OH 3.37Å
229Q91Very high92.5Very high119 Ų11947.4 Ų47.456%0.55627%0.265SS*.Hα-helixtrans-64.2-35.2173.1-73.7176.8-4.500112.2V225 Q226 L227 P233V225-Q229 HydrophobicContact CG1-CG 4.46Å; V225-Q229 WeakPolarHBondContact O-CG 3.49Å; V225-Q229 PolarHBondContact O-N 3.42Å; Q226-Q229 PolarHBondContact O-N 3.36Å; L227-Q229 VanDerWaalsContact C-N 3.34Å; L227-Q229 PolarHBondContact O-N 2.91Å; Q229-P233 WeakPolarHBondContact O-CD 3.35Å
230M91.9Very high93.1Very high64 Ų6444.9 Ų44.932%0.31525%0.245SC..Hα-helixtrans-72.2-38173.4-67.317874.800112.4L177 V180 L210 Q226 L227 D228 P233L177-M230 HydrophobicContact CD2-CE 4.33Å; L177-M230 HydrophobicContact CD2-SD 4.2Å; V180-M230 HydrophobicContact CB-CE 4.02Å; V180-M230 HydrophobicContact CG1-CE 3.92Å; V180-M230 HydrophobicContact CG2-CE 4.47Å; L210-M230 HydrophobicContact CD1-CB 3.87Å; L210-M230 HydrophobicContact CD2-CB 4.38Å; L210-M230 HydrophobicContact CD2-CE 4.29Å; L210-M230 HydrophobicContact CD2-SD 4.39Å; Q226-M230 WeakPolarHBondContact O-CG 3.4Å; Q226-M230 PolarHBondContact O-N 3.28Å; L227-M230 PolarHBondContact O-N 3.02Å; D228-M230 VanDerWaalsContact C-N 3.32Å; D228-M230 PolarHBondContact O-N 2.99Å; M230-P233 WeakPolarHBondContact O-CD 3.21Å; M230-P233 WeakPolarHBondContact O-CG 3.44Å
231I94Very high93.8Very high3 Ų342 Ų422%0.01522%0.216CC..Hα-helixtrans-65.7-40.2178.8-70.7163.7000111.1I207 L210 K211 L227 D228 L234 L235I207-I231 HydrophobicContact CG2-CG2 4.3Å; L210-I231 HydrophobicContact CB-CD1 3.84Å; L210-I231 HydrophobicContact CB-CG1 3.41Å; L210-I231 VanDerWaalsContact CB-CG1 3.41Å; L210-I231 HydrophobicContact CD1-CG1 3.7Å; L210-I231 HydrophobicContact CG-CG1 4.21Å; K211-I231 HydrophobicContact CG-CD1 3.95Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.43Å; L227-I231 PolarHBondContact O-N 3.25Å; D228-I231 PolarHBondContact O-N 2.93Å; I231-L234 WeakPolarHBondContact O-CB 3.41Å; I231-L234 PolarHBondContact O-N 3.4Å; I231-L235 HydrophobicContact CG2-CB 4.42Å; I231-L235 WeakPolarHBondContact O-CB 3.48Å; I231-L235 PolarHBondContact O-N 3.34Å
232T94.9Very high94.1Very high15 Ų1538.5 Ų38.59%0.09220%0.197CC..Hα-helixtrans-53.8-53.2-172.4-64.30000114.7D228 L234 L235 L236 L258 Y262D228-T232 PolarHBondContact O-N 3.5Å; D228-T232 PolarHBondContact O-OG1 3.24Å; T232-L234 PolarHBondContact O-N 3.11Å; T232-L235 PolarHBondContact O-N 3.12Å; T232-L236 HydrophobicContact CG2-CD1 4.22Å; T232-L236 WeakPolarHBondContact O-CG 3.44Å; T232-L236 PolarHBondContact O-N 3.29Å; T232-L258 HydrophobicContact CG2-CD2 3.99Å; T232-Y262 WeakPolarHBondContact OG1-CE2 3.24Å
233P95Very high94.5Very high58 Ų5832 Ų3238%0.37717%0.167SC..Hα-helixtrans-64.2-37.8178.424.3-33.7000112.8Q229 M230 L236 N237Q229-P233 WeakPolarHBondContact O-CD 3.35Å; M230-P233 WeakPolarHBondContact O-CD 3.21Å; M230-P233 WeakPolarHBondContact O-CG 3.44Å; P233-L236 PolarHBondContact O-N 3.11Å; P233-N237 PolarHBondContact O-N 3.24Å
234L96.3Very high94.9Very high2 Ų234.4 Ų34.41%0.0117%0.174CC..Hα-helixtrans-61.9-44.9175.1-71.6162.4000111.3V180 H184 Y203 A206 I207 L210 I231 T232 L236 N237 Y238V180-L234 HydrophobicContact CG1-CD1 3.85Å; H184-L234 HydrophobicContact CB-CD2 3.91Å; Y203-L234 HydrophobicContact CD1-CD2 3.88Å; A206-L234 HydrophobicContact CB-CD1 3.88Å; A206-L234 HydrophobicContact CB-CD2 3.93Å; I207-L234 HydrophobicContact CD1-CB 4.26Å; I207-L234 HydrophobicContact CG1-CB 3.76Å; L210-L234 HydrophobicContact CD1-CD1 3.54Å; I231-L234 WeakPolarHBondContact O-CB 3.41Å; I231-L234 PolarHBondContact O-N 3.4Å; T232-L234 PolarHBondContact O-N 3.11Å; L234-L236 PolarHBondContact O-N 2.84Å; L234-N237 PolarHBondContact O-N 3.2Å; L234-Y238 WeakPolarHBondContact O-CB 3.24Å; L234-Y238 PolarHBondContact O-N 3.14Å
235L97Very high95.1Very high10 Ų1034.7 Ų34.75%0.05218%0.177CC..Hα-helixtrans-65.2-38.8179.2-173.159.2000111.6I207 I231 T232 N237 Y238 C239 H254 L258I207-L235 HydrophobicContact CD1-CB 4.23Å; I207-L235 HydrophobicContact CD1-CD1 4.01Å; I231-L235 HydrophobicContact CG2-CB 4.42Å; I231-L235 WeakPolarHBondContact O-CB 3.48Å; I231-L235 PolarHBondContact O-N 3.34Å; T232-L235 PolarHBondContact O-N 3.12Å; L235-N237 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 2.83Å; L235-Y238 HydrophobicContact CD1-CD1 4.15Å; L235-Y238 WeakPolarHBondContact O-CB 3.45Å; L235-Y238 PolarHBondContact O-N 3.42Å; L235-C239 WeakPolarHBondContact O-CB 3.39Å; L235-C239 PolarHBondContact O-N 3.23Å; L235-C239 PolarHBondContact O-SG 3.47Å; L235-H254 HydrophobicContact CD1-CB 4.05Å; L235-H254 HydrophobicContact CD2-CB 4.38Å; L235-H254 HydrophobicContact CG-CB 4.34Å; L235-L258 HydrophobicContact CB-CD1 4.42Å; L235-L258 HydrophobicContact CD2-CD1 3.82Å; L235-L258 HydrophobicContact CD2-CD2 4.05Å; L235-L258 HydrophobicContact CD2-CG 3.79Å; L235-L258 HydrophobicContact CG-CD1 4.08Å
236L97.6Very high95.5Very high12 Ų1237.1 Ų37.16%0.06319%0.188CC..Hα-helixtrans-64.7-36.2174.4-72.2171.7000112.9T232 P233 L234 Q240 L258 K267 A268 K271T232-L236 HydrophobicContact CG2-CD1 4.22Å; T232-L236 WeakPolarHBondContact O-CG 3.44Å; T232-L236 PolarHBondContact O-N 3.29Å; P233-L236 PolarHBondContact O-N 3.11Å; L234-L236 PolarHBondContact O-N 2.84Å; L236-Q240 PolarHBondContact O-N 3.33Å; L236-Q240 VanDerWaalsContact O-N 3.1Å; L236-L258 HydrophobicContact CD2-CD1 3.91Å; L236-L258 HydrophobicContact CG-CD1 4.12Å; L236-K267 HydrophobicContact CD1-CB 3.96Å; L236-K267 HydrophobicContact CD1-CD 4.16Å; L236-K267 HydrophobicContact CD2-CB 4Å; L236-A268 HydrophobicContact CD2-CB 4.07Å; L236-K271 HydrophobicContact CD2-CD 4.05Å; L236-K271 WeakPolarHBondContact O-CE 3.34Å; L236-K271 PolarHBondContact O-NZ 3.09Å
237N97.8Very high95.8Very high44 Ų4436.8 Ų36.824%0.23519%0.187CC..Hα-helixtrans-72.6-39.9174.4-70.8-11.3000111.6H184 N188 Y203 P233 L234 L235 Q240 C241H184-N237 PolarHBondContact NE2-ND2 2.94Å; N188-N237 PolarHBondContact OD1-ND2 3.1Å; Y203-N237 HydrophobicContact CD1-CB 4.16Å; Y203-N237 HydrophobicContact CD2-CB 4.13Å; Y203-N237 HydrophobicContact CE1-CB 3.79Å; Y203-N237 HydrophobicContact CE2-CB 3.77Å; Y203-N237 HydrophobicContact CG-CB 4.31Å; P233-N237 PolarHBondContact O-N 3.24Å; L234-N237 PolarHBondContact O-N 3.2Å; L235-N237 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 2.83Å; N237-Q240 WeakPolarHBondContact O-CA 3.47Å; N237-Q240 WeakPolarHBondContact O-CB 3.47Å; N237-Q240 PolarHBondContact O-N 3.49Å; N237-Q240 VanDerWaalsContact O-N 3.09Å; N237-C241 PolarHBondContact O-N 3.36Å; N237-C241 VanDerWaalsContact O-N 3.09Å; N237-C241 PolarHBondContact O-SG 3.48Å
238Y97.9Very high96.1Very high22 Ų2238.7 Ų38.79%0.08619%0.194CC..Hα-helixtrans-58-50.3171.6-179.9-108.5000111.4T200 Y204 I207 L234 L235 Q240 C241 L242 H254T200-Y238 HydrophobicContact CG2-CD2 3.89Å; T200-Y238 HydrophobicContact CG2-CE2 3.41Å; T200-Y238 VanDerWaalsContact CG2-CE2 3.41Å; Y204-Y238 HydrophobicContact CD2-CE2 4.38Å; I207-Y238 HydrophobicContact CD1-CD1 4.45Å; I207-Y238 HydrophobicContact CD1-CG 4.09Å; L234-Y238 WeakPolarHBondContact O-CB 3.24Å; L234-Y238 PolarHBondContact O-N 3.14Å; L235-Y238 HydrophobicContact CD1-CD1 4.15Å; L235-Y238 WeakPolarHBondContact O-CB 3.45Å; L235-Y238 PolarHBondContact O-N 3.42Å; Y238-Q240 PolarHBondContact O-N 3.23Å; Y238-C241 WeakPolarHBondContact O-CA 3.19Å; Y238-C241 WeakPolarHBondContact O-CB 3.26Å; Y238-C241 PolarHBondContact O-N 3.02Å; Y238-L242 HydrophobicContact CD1-CD1 3.78Å; Y238-L242 HydrophobicContact CD1-CG 4.25Å; Y238-L242 HydrophobicContact CE1-CD1 3.3Å; Y238-L242 HydrophobicContact CE1-CD2 4.31Å; Y238-L242 HydrophobicContact CE1-CG 3.9Å; Y238-L242 HydrophobicContact CE2-CD2 4.4Å; Y238-L242 HydrophobicContact CE2-CG 4.45Å; Y238-L242 PolarHBondContact O-N 3.49Å; Y238-H254 AromaticContact CE1-CD2 3.84Å; Y238-H254 AromaticContact CE1-NE2 3.68Å
239C98.2Very high96.3Very high0 Ų046.8 Ų46.80%023%0.225CC..Hα-helixtrans-57.9-32.2173.5-71.40000112.7L235 C241 L243 V251 K271L235-C239 WeakPolarHBondContact O-CB 3.39Å; L235-C239 PolarHBondContact O-N 3.23Å; L235-C239 PolarHBondContact O-SG 3.47Å; C239-C241 VanDerWaalsContact C-N 3.35Å; C239-L243 WeakPolarHBondContact O-CG 3.39Å; C239-L243 PolarHBondContact O-N 2.91Å; C239-V251 HydrophobicContact CB-CG1 4.16Å; C239-V251 HydrophobicContact CB-CG2 4.34Å; C239-K271 HydrophobicContact CB-CD 4.09Å
240Q98.1Very high96.4Very high50 Ų5044.7 Ų44.723%0.23422%0.215CC..Hα-helixtrans-64-42.5173.1-168.450.256.600111.9F191 L236 N237 Y238 L243 L244F191-Q240 HydrophobicContact CE2-CB 4.45Å; F191-Q240 HydrophobicContact CE2-CG 3.87Å; F191-Q240 HydrophobicContact CZ-CG 3.66Å; L236-Q240 PolarHBondContact O-N 3.33Å; L236-Q240 VanDerWaalsContact O-N 3.1Å; N237-Q240 WeakPolarHBondContact O-CA 3.47Å; N237-Q240 WeakPolarHBondContact O-CB 3.47Å; N237-Q240 PolarHBondContact O-N 3.49Å; N237-Q240 VanDerWaalsContact O-N 3.09Å; Y238-Q240 PolarHBondContact O-N 3.23Å; Q240-L243 PolarHBondContact O-N 3.27Å; Q240-L244 WeakPolarHBondContact O-CG 3.27Å; Q240-L244 PolarHBondContact O-N 3.43Å
241C97.9Very high96.7Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-69.4-36.9179.5-57.30000111.5F191 I196 T200 N237 Y238 C239 L244 Q245F191-C241 VanDerWaalsContact CD2-SG 3.58Å; I196-C241 HydrophobicContact CG2-CB 3.92Å; T200-C241 WeakPolarHBondContact OG1-CB 3.41Å; N237-C241 PolarHBondContact O-N 3.36Å; N237-C241 VanDerWaalsContact O-N 3.09Å; N237-C241 PolarHBondContact O-SG 3.48Å; Y238-C241 WeakPolarHBondContact O-CA 3.19Å; Y238-C241 WeakPolarHBondContact O-CB 3.26Å; Y238-C241 PolarHBondContact O-N 3.02Å; C239-C241 VanDerWaalsContact C-N 3.35Å; C241-L244 PolarHBondContact O-N 2.97Å; C241-Q245 WeakPolarHBondContact O-CG 3.18Å; C241-Q245 PolarHBondContact O-N 3.11Å; C241-Q245 PolarHBondContact O-NE2 3.02Å
242L97.4Very high96.9Very high4 Ų442.7 Ų42.72%0.02121%0.206CC..Hα-helixtrans-64.5-40.8173.9-70.3-177.3000112.3T200 Y238 L244 Q245 D246 Q247 E250 V251T200-L242 HydrophobicContact CG2-CD2 4.43Å; Y238-L242 HydrophobicContact CD1-CD1 3.78Å; Y238-L242 HydrophobicContact CD1-CG 4.25Å; Y238-L242 HydrophobicContact CE1-CD1 3.3Å; Y238-L242 HydrophobicContact CE1-CD2 4.31Å; Y238-L242 HydrophobicContact CE1-CG 3.9Å; Y238-L242 HydrophobicContact CE2-CD2 4.4Å; Y238-L242 HydrophobicContact CE2-CG 4.45Å; Y238-L242 PolarHBondContact O-N 3.49Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 3.36Å; L242-Q245 CarbonylContact O-C 3.53Å; L242-Q245 WeakPolarHBondContact O-CA 3.42Å; L242-Q245 PolarHBondContact O-N 2.92Å; L242-D246 PolarHBondContact O-N 3.48Å; L242-D246 VanDerWaalsContact O-N 3.13Å; L242-Q247 HydrophobicContact CB-CB 4.07Å; L242-Q247 HydrophobicContact CD2-CB 3.86Å; L242-Q247 HydrophobicContact CD2-CG 4.11Å; L242-Q247 HydrophobicContact CG-CB 4.46Å; L242-Q247 PolarHBondContact O-N 3.43Å; L242-E250 HydrophobicContact CD1-CB 3.74Å; L242-V251 HydrophobicContact CB-CG2 3.46Å; L242-V251 VanDerWaalsContact CB-CG2 3.46Å; L242-V251 HydrophobicContact CD1-CG2 4.09Å; L242-V251 HydrophobicContact CG-CG2 4.46Å
243L97.8Very high96.9Very high16 Ų1648.5 Ų48.58%0.08423%0.232CC..Hα-helixtrans-58.2-38173.3-80.2167.7000112.3C239 Q240 Q245 D246 Y248 V251 K271 K274 A275C239-L243 WeakPolarHBondContact O-CG 3.39Å; C239-L243 PolarHBondContact O-N 2.91Å; Q240-L243 PolarHBondContact O-N 3.27Å; L243-Q245 PolarHBondContact O-N 2.68Å; L243-D246 PolarHBondContact O-N 3.03Å; L243-Y248 HydrophobicContact CD2-CD1 4.05Å; L243-Y248 HydrophobicContact CD2-CE1 4.33Å; L243-V251 HydrophobicContact CD1-CG1 4.48Å; L243-V251 HydrophobicContact CD2-CG1 4.31Å; L243-V251 HydrophobicContact CD2-CG2 4.47Å; L243-V251 HydrophobicContact CG-CG1 4.18Å; L243-V251 HydrophobicContact CG-CG2 4.1Å; L243-K271 HydrophobicContact CD1-CB 3.96Å; L243-K271 HydrophobicContact CD1-CG 3.97Å; L243-K274 HydrophobicContact CD2-CB 4.27Å; L243-A275 HydrophobicContact CD2-CB 4.1Å
244L96.9Very high97Very high90 Ų9047.6 Ų47.647%0.47122%0.222SC..THydrogen-bonded Turntrans-75.1-13.3177-66.2177.6000113.4F191 I196 Q240 C241 L242F191-L244 HydrophobicContact CE2-CD1 3.65Å; F191-L244 HydrophobicContact CZ-CD1 3.87Å; I196-L244 HydrophobicContact CD1-CD1 3.66Å; I196-L244 HydrophobicContact CG1-CD1 4.07Å; I196-L244 HydrophobicContact CG2-CB 4.06Å; I196-L244 HydrophobicContact CG2-CD1 4.33Å; Q240-L244 WeakPolarHBondContact O-CG 3.27Å; Q240-L244 PolarHBondContact O-N 3.43Å; C241-L244 PolarHBondContact O-N 2.97Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 3.36Å
245Q96.6Very high97.1Very high53 Ų5347.5 Ų47.525%0.24822%0.222CC..THydrogen-bonded Turntrans-106.912.4177.1-71.6174.188.700112.4I196 T200 C241 L242 L243 Q247I196-Q245 HydrophobicContact CG2-CG 4.11Å; T200-Q245 PolarHBondContact OG1-NE2 3.4Å; C241-Q245 WeakPolarHBondContact O-CG 3.18Å; C241-Q245 PolarHBondContact O-N 3.11Å; C241-Q245 PolarHBondContact O-NE2 3.02Å; L242-Q245 CarbonylContact O-C 3.53Å; L242-Q245 WeakPolarHBondContact O-CA 3.42Å; L242-Q245 PolarHBondContact O-N 2.92Å; L243-Q245 PolarHBondContact O-N 2.68Å; Q245-Q247 HydrophobicContact CB-CG 4.17Å; Q245-Q247 PolarHBondContact O-N 2.94Å; Q245-Q247 VanDerWaalsContact O-N 3.1Å; Q245-Q247 PolarHBondContact O-NE2 3.21Å
246D96.8Very high97Very high102 Ų10248.9 Ų48.955%0.54523%0.232SC..THydrogen-bonded Turntrans57.622.7-179.4-54.5-44.6000114.4L242 L243 Y248L242-D246 PolarHBondContact O-N 3.48Å; L242-D246 VanDerWaalsContact O-N 3.13Å; L243-D246 PolarHBondContact O-N 3.03Å; D246-Y248 VanDerWaalsContact C-N 3.27Å; D246-Y248 HydrophobicContact CB-CE1 4.49Å; D246-Y248 HydrophobicContact CB-CE2 3.75Å; D246-Y248 VanDerWaalsContact O-CD2 3.28Å; D246-Y248 WeakPolarHBondContact O-CD2 3.4Å; D246-Y248 PolarHBondContact O-N 3.28Å; D246-Y248 VanDerWaalsContact OD1-CZ 3.29Å; D246-Y248 PolarHBondContact OD1-OH 3.33Å
247Q96.5Very high96.9Very high93 Ų9351.5 Ų51.544%0.43525%0.252SS..  trans-85.763.2177.1-62-54.2-51.300110.9L242 Q245 Y249 V251L242-Q247 HydrophobicContact CB-CB 4.07Å; L242-Q247 HydrophobicContact CD2-CB 3.86Å; L242-Q247 HydrophobicContact CD2-CG 4.11Å; L242-Q247 HydrophobicContact CG-CB 4.46Å; L242-Q247 PolarHBondContact O-N 3.43Å; Q245-Q247 HydrophobicContact CB-CG 4.17Å; Q245-Q247 PolarHBondContact O-N 2.94Å; Q245-Q247 VanDerWaalsContact O-N 3.1Å; Q245-Q247 PolarHBondContact O-NE2 3.21Å; Q247-Y249 PolarHBondContact O-N 3.09Å; Q247-V251 WeakPolarHBondContact O-CG2 3.45Å
248Y96.8Very high96.8Very high53 Ų5349.4 Ų49.421%0.20824%0.241CC..Hα-helixtrans-69.6-35.3-167.8-53.9-59.9000114.5L243 D246 V251 I252 A278 V279L243-Y248 HydrophobicContact CD2-CD1 4.05Å; L243-Y248 HydrophobicContact CD2-CE1 4.33Å; D246-Y248 VanDerWaalsContact C-N 3.27Å; D246-Y248 HydrophobicContact CB-CE1 4.49Å; D246-Y248 HydrophobicContact CB-CE2 3.75Å; D246-Y248 VanDerWaalsContact O-CD2 3.28Å; D246-Y248 WeakPolarHBondContact O-CD2 3.4Å; D246-Y248 PolarHBondContact O-N 3.28Å; D246-Y248 VanDerWaalsContact OD1-CZ 3.29Å; D246-Y248 PolarHBondContact OD1-OH 3.33Å; Y248-V251 PolarHBondContact O-N 2.89Å; Y248-I252 WeakPolarHBondContact O-CG1 3.29Å; Y248-I252 PolarHBondContact O-N 3.27Å; Y248-A278 HydrophobicContact CD1-CB 3.63Å; Y248-A278 HydrophobicContact CD2-CB 3.83Å; Y248-A278 HydrophobicContact CE1-CB 3.42Å; Y248-A278 VanDerWaalsContact CE1-CB 3.42Å; Y248-A278 HydrophobicContact CE2-CB 3.61Å; Y248-A278 HydrophobicContact CG-CB 3.82Å; Y248-V279 HydrophobicContact CD2-CG1 3.89Å; Y248-V279 HydrophobicContact CG-CG1 4.05Å
249Y95.6Very high96.7Very high172 Ų17249 Ų4968%0.67524%0.239SC*.Hα-helixtrans-66.5-41.6-177.2-66.7-73.7000112.4Q247 V251 I252 E253 V279Q247-Y249 PolarHBondContact O-N 3.09Å; Y249-V251 VanDerWaalsContact C-N 3.3Å; Y249-V251 PolarHBondContact O-N 3.18Å; Y249-I252 PolarHBondContact O-N 3.06Å; Y249-E253 PolarHBondContact O-N 3.45Å; Y249-V279 HydrophobicContact CE1-CG1 4.39Å; Y249-V279 HydrophobicContact CE2-CG1 4.33Å
250E94Very high96.5Very high75 Ų7557.3 Ų57.335%0.3528%0.276SS..Hα-helixtrans-61.7-39.4174.4-70.7-177.1-148.400111.6L242 I252 E253 H254L242-E250 HydrophobicContact CD1-CB 3.74Å; E250-I252 VanDerWaalsContact C-N 3.34Å; E250-I252 PolarHBondContact O-N 3.06Å; E250-E253 PolarHBondContact O-N 3.27Å; E250-H254 WeakPolarHBondContact O-CB 3.4Å; E250-H254 PolarHBondContact O-CD2 3.46Å; E250-H254 PolarHBondContact O-N 3.05Å
251V98.1Very high96.1Very high0 Ų058.7 Ų58.70%028%0.281CS..Hα-helixtrans-62.3-43.1175177.60000111.2C239 L242 L243 Q247 Y248 Y249 E253 C255 K271 A275C239-V251 HydrophobicContact CB-CG1 4.16Å; C239-V251 HydrophobicContact CB-CG2 4.34Å; L242-V251 HydrophobicContact CB-CG2 3.46Å; L242-V251 VanDerWaalsContact CB-CG2 3.46Å; L242-V251 HydrophobicContact CD1-CG2 4.09Å; L242-V251 HydrophobicContact CG-CG2 4.46Å; L243-V251 HydrophobicContact CD1-CG1 4.48Å; L243-V251 HydrophobicContact CD2-CG1 4.31Å; L243-V251 HydrophobicContact CD2-CG2 4.47Å; L243-V251 HydrophobicContact CG-CG1 4.18Å; L243-V251 HydrophobicContact CG-CG2 4.1Å; Q247-V251 WeakPolarHBondContact O-CG2 3.45Å; Y248-V251 PolarHBondContact O-N 2.89Å; Y249-V251 VanDerWaalsContact C-N 3.3Å; Y249-V251 PolarHBondContact O-N 3.18Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 3.3Å; V251-C255 VanDerWaalsContact O-CB 3.24Å; V251-C255 WeakPolarHBondContact O-CB 3.47Å; V251-C255 PolarHBondContact O-N 3.31Å; V251-C255 PolarHBondContact O-SG 2.97Å; V251-K271 HydrophobicContact CG1-CB 4.31Å; V251-A275 HydrophobicContact CB-CB 4.08Å; V251-A275 HydrophobicContact CG1-CB 3.93Å
252I97.5Very high95.9Very high26 Ų2661.4 Ų61.413%0.13329%0.292CS..Hα-helixtrans-60.9-45.8178.2-68.5165.7000110.6Y248 Y249 E250 S256 R272 A275 V279Y248-I252 WeakPolarHBondContact O-CG1 3.29Å; Y248-I252 PolarHBondContact O-N 3.27Å; Y249-I252 PolarHBondContact O-N 3.06Å; E250-I252 VanDerWaalsContact C-N 3.34Å; E250-I252 PolarHBondContact O-N 3.06Å; I252-S256 WeakPolarHBondContact O-CB 3.49Å; I252-S256 PolarHBondContact O-N 3.01Å; I252-S256 PolarHBondContact O-OG 3.44Å; I252-R272 HydrophobicContact CG1-CG 4.46Å; I252-A275 HydrophobicContact CD1-CB 4.19Å; I252-A275 HydrophobicContact CG1-CB 3.64Å; I252-V279 HydrophobicContact CD1-CG2 3.92Å
253E96.4Very high95.7Very high136 Ų13668 Ų6864%0.63632%0.323SS*.Hα-helixtrans-62.3-53.7179.5-169.8-170.7150.600111.6Y249 E250 V251 C255 S256 S257Y249-E253 PolarHBondContact O-N 3.45Å; E250-E253 PolarHBondContact O-N 3.27Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 3.3Å; E253-C255 PolarHBondContact O-N 2.92Å; E253-S256 PolarHBondContact O-N 3.36Å; E253-S257 PolarHBondContact O-N 3.25Å
254H96.3Very high95.6Very high39 Ų3972.7 Ų72.718%0.18135%0.348CS..Hα-helixtrans-62.3-45.4-178.7-72.8-28.6000112.7L235 Y238 E250 S256 S257 L258L235-H254 HydrophobicContact CD1-CB 4.05Å; L235-H254 HydrophobicContact CD2-CB 4.38Å; L235-H254 HydrophobicContact CG-CB 4.34Å; Y238-H254 AromaticContact CE1-CD2 3.84Å; Y238-H254 AromaticContact CE1-NE2 3.68Å; E250-H254 WeakPolarHBondContact O-CB 3.4Å; E250-H254 PolarHBondContact O-CD2 3.46Å; E250-H254 PolarHBondContact O-N 3.05Å; H254-S256 VanDerWaalsContact C-N 3.35Å; H254-S257 PolarHBondContact O-N 3.18Å; H254-L258 PolarHBondContact O-N 3.46Å
255C97.7Very high95.6Very high0 Ų069.5 Ų69.50%033%0.331CS..Hα-helixtrans-68.9-33.8178.5-70.70000112.1V251 E253 L258 I259 A268 R272V251-C255 VanDerWaalsContact O-CB 3.24Å; V251-C255 WeakPolarHBondContact O-CB 3.47Å; V251-C255 PolarHBondContact O-N 3.31Å; V251-C255 PolarHBondContact O-SG 2.97Å; E253-C255 PolarHBondContact O-N 2.92Å; C255-L258 PolarHBondContact O-N 2.63Å; C255-I259 WeakPolarHBondContact O-CB 3.49Å; C255-I259 WeakPolarHBondContact O-CD1 3.42Å; C255-I259 WeakPolarHBondContact O-CG1 3.37Å; C255-I259 PolarHBondContact O-N 3.22Å; C255-A268 HydrophobicContact CB-CB 4.39Å; C255-R272 HydrophobicContact CB-CB 3.7Å; C255-R272 HydrophobicContact CB-CG 4.16Å
256S96.5Very high95.6Very high39 Ų3968.5 Ų68.527%0.27333%0.329SS..Hα-helixtrans-65.1-41.5174.8-61.90000112I252 E253 H254 L258 I259 F260 R272I252-S256 WeakPolarHBondContact O-CB 3.49Å; I252-S256 PolarHBondContact O-N 3.01Å; I252-S256 PolarHBondContact O-OG 3.44Å; E253-S256 PolarHBondContact O-N 3.36Å; H254-S256 VanDerWaalsContact C-N 3.35Å; S256-L258 VanDerWaalsContact C-N 3.35Å; S256-I259 PolarHBondContact O-N 3.27Å; S256-F260 WeakPolarHBondContact O-CB 3.22Å; S256-F260 PolarHBondContact O-N 2.99Å; S256-R272 VanDerWaalsContact OG-CD 3.23Å; S256-R272 WeakPolarHBondContact OG-CD 3.33Å; S256-R272 PolarHBondContact OG-NH1 3.28Å; S256-R272 VanDerWaalsContact OG-NH1 3.08Å
257S94.4Very high95.6Very high68 Ų6870.2 Ų70.248%0.47633%0.331SS..Hα-helixtrans-63.2-39.7173.8-179.60000112.3E253 H254 K261E253-S257 PolarHBondContact O-N 3.25Å; H254-S257 PolarHBondContact O-N 3.18Å; S257-K261 PolarHBondContact O-N 3.09Å
258L95Very high95.7Very high0 Ų065.8 Ų65.80%031%0.311CS..Hα-helixtrans-64.2-47174.7-79.5175.9000112.1T232 L235 L236 H254 C255 S256 F260 K261 Y262 A268T232-L258 HydrophobicContact CG2-CD2 3.99Å; L235-L258 HydrophobicContact CB-CD1 4.42Å; L235-L258 HydrophobicContact CD2-CD1 3.82Å; L235-L258 HydrophobicContact CD2-CD2 4.05Å; L235-L258 HydrophobicContact CD2-CG 3.79Å; L235-L258 HydrophobicContact CG-CD1 4.08Å; L236-L258 HydrophobicContact CD2-CD1 3.91Å; L236-L258 HydrophobicContact CG-CD1 4.12Å; H254-L258 PolarHBondContact O-N 3.46Å; C255-L258 PolarHBondContact O-N 2.63Å; S256-L258 VanDerWaalsContact C-N 3.35Å; L258-F260 VanDerWaalsContact C-N 3.31Å; L258-F260 PolarHBondContact O-N 3.2Å; L258-K261 PolarHBondContact O-N 3.33Å; L258-K261 VanDerWaalsContact O-N 3.12Å; L258-Y262 HydrophobicContact CD2-CD2 4.31Å; L258-Y262 PolarHBondContact O-N 3.02Å; L258-A268 HydrophobicContact CB-CB 4.24Å
259I96.6Very high95.8Very high12 Ų1264.4 Ų64.46%0.06231%0.305CS..Hα-helixtrans-63.6-38.5-179-72.4161.9000111.3C255 S256 K261 Y262 E263 A268 Y269 R272C255-I259 WeakPolarHBondContact O-CB 3.49Å; C255-I259 WeakPolarHBondContact O-CD1 3.42Å; C255-I259 WeakPolarHBondContact O-CG1 3.37Å; C255-I259 PolarHBondContact O-N 3.22Å; S256-I259 PolarHBondContact O-N 3.27Å; I259-K261 PolarHBondContact O-N 3.18Å; I259-Y262 CarbonylContact O-C 3.53Å; I259-Y262 PolarHBondContact O-N 2.92Å; I259-E263 PolarHBondContact O-N 3.1Å; I259-A268 HydrophobicContact CD1-CB 4.14Å; I259-A268 HydrophobicContact CG1-CB 3.74Å; I259-Y269 HydrophobicContact CD1-CD1 3.67Å; I259-Y269 HydrophobicContact CD1-CD2 4.25Å; I259-Y269 HydrophobicContact CD1-CE1 3.85Å; I259-Y269 HydrophobicContact CD1-CE2 4.38Å; I259-Y269 HydrophobicContact CD1-CG 3.9Å; I259-Y269 HydrophobicContact CG1-CD1 4.33Å; I259-Y269 HydrophobicContact CG1-CD2 4.14Å; I259-Y269 HydrophobicContact CG1-CE1 4.21Å; I259-Y269 HydrophobicContact CG1-CE2 4Å; I259-Y269 HydrophobicContact CG1-CG 4.3Å; I259-Y269 HydrophobicContact CG2-CE1 3.75Å; I259-Y269 HydrophobicContact CG2-CE2 4.02Å; I259-Y269 VanDerWaalsContact CG2-OH 3.25Å; I259-Y269 WeakPolarHBondContact CG2-OH 3.46Å; I259-R272 VanDerWaalsContact CD1-CZ 3.4Å
260F94.3Very high95.9Very high176 Ų17658.4 Ų58.477%0.77228%0.282SS*.Hα-helixtrans-59.1-31.2175.7-179.4-97.6000112.7S256 L258S256-F260 WeakPolarHBondContact O-CB 3.22Å; S256-F260 PolarHBondContact O-N 2.99Å; L258-F260 VanDerWaalsContact C-N 3.31Å; L258-F260 PolarHBondContact O-N 3.2Å
261K90.4Very high96.1Very high78 Ų7855.8 Ų55.834%0.33927%0.269SS..Hα-helixtrans-91.3-36.1177.7-64.1-175.7-69.2165.40112.9D228 S257 L258 I259D228-K261 IonicContact OD1-NZ 2.89Å; D228-K261 PolarHBondContact OD1-NZ 2.94Å; D228-K261 IonicContact OD2-NZ 2.7Å; D228-K261 PolarHBondContact OD2-NZ 3.38Å; S257-K261 PolarHBondContact O-N 3.09Å; L258-K261 PolarHBondContact O-N 3.33Å; L258-K261 VanDerWaalsContact O-N 3.12Å; I259-K261 PolarHBondContact O-N 3.18Å
262Y92.4Very high96.2Very high57 Ų5757.8 Ų57.822%0.22428%0.277CS..  trans-132.582.9-170.9-55.2-58.4000109.6D228 T232 L258 I259 D264 N265D228-Y262 WeakPolarHBondContact OD2-CE2 3.44Å; D228-Y262 PolarHBondContact OD2-OH 3.37Å; T232-Y262 WeakPolarHBondContact OG1-CE2 3.24Å; L258-Y262 HydrophobicContact CD2-CD2 4.31Å; L258-Y262 PolarHBondContact O-N 3.02Å; I259-Y262 CarbonylContact O-C 3.53Å; I259-Y262 PolarHBondContact O-N 2.92Å; Y262-D264 PolarHBondContact O-N 2.93Å; Y262-D264 VanDerWaalsContact O-N 3.15Å; Y262-N265 WeakPolarHBondContact O-CB 3.49Å; Y262-N265 PolarHBondContact O-N 2.93Å; Y262-N265 VanDerWaalsContact O-N 3.15Å
263E94.4Very high96.2Very high142 Ų14256.6 Ų56.666%0.66427%0.27SS*.THydrogen-bonded Turntrans-67-12.5-175.5-65-174.4-174.400113.9I259 Y269I259-E263 PolarHBondContact O-N 3.1Å; E263-Y269 VanDerWaalsContact O-CE2 3.26Å; E263-Y269 WeakPolarHBondContact O-CE2 3.37Å; E263-Y269 PolarHBondContact O-OH 3.1Å
264D94.8Very high96.3Very high115 Ų11552.9 Ų52.962%0.61525%0.252SS*.THydrogen-bonded Turntrans-95.54177.765.8-21.8000113.3Y262 V266Y262-D264 PolarHBondContact O-N 2.93Å; Y262-D264 VanDerWaalsContact O-N 3.15Å; D264-V266 PolarHBondContact O-N 3.44Å
265N95.9Very high96.3Very high24 Ų2451 Ų5113%0.12824%0.244CC..  trans-78.485.3-176.3-162.7-50000113Y262 K267 A268 Y269Y262-N265 WeakPolarHBondContact O-CB 3.49Å; Y262-N265 PolarHBondContact O-N 2.93Å; Y262-N265 VanDerWaalsContact O-N 3.15Å; N265-K267 PolarHBondContact O-N 2.91Å; N265-K267 PolarHBondContact OD1-N 3.09Å; N265-A268 HydrophobicContact CB-CB 4.01Å; N265-A268 WeakPolarHBondContact O-CB 3.37Å; N265-A268 PolarHBondContact O-N 3.01Å; N265-A268 PolarHBondContact OD1-N 3.42Å; N265-Y269 WeakPolarHBondContact O-CD2 3.3Å; N265-Y269 PolarHBondContact O-N 3.4Å
266V97.7Very high96.4Very high31 Ų3152 Ų5219%0.18825%0.248CC..Hα-helixtrans-50.2-42.5179.2-172.40000112.9D264 A268 Y269 Y270 V292 L295 D296 L299D264-V266 PolarHBondContact O-N 3.44Å; V266-A268 VanDerWaalsContact C-N 3.34Å; V266-A268 PolarHBondContact O-N 3.08Å; V266-Y269 PolarHBondContact O-N 3.01Å; V266-Y270 WeakPolarHBondContact O-CB 3.14Å; V266-Y270 PolarHBondContact O-N 3.07Å; V266-V292 HydrophobicContact CG1-CG1 3.96Å; V266-L295 HydrophobicContact CG2-CB 3.61Å; V266-L295 HydrophobicContact CG2-CD1 4.07Å; V266-L295 HydrophobicContact CG2-CG 4.49Å; V266-D296 HydrophobicContact CG1-CB 3.92Å; V266-D296 HydrophobicContact CG2-CB 4.26Å; V266-L299 HydrophobicContact CG1-CD1 3.62Å
267K97.6Very high96.4Very high139 Ų13950.8 Ų50.860%0.60424%0.24SC*.Hα-helixtrans-66.6-35.9-177.9-69.4179.3-179.3174.20112.1L236 N265 K271L236-K267 HydrophobicContact CD1-CB 3.96Å; L236-K267 HydrophobicContact CD1-CD 4.16Å; L236-K267 HydrophobicContact CD2-CB 4Å; N265-K267 PolarHBondContact O-N 2.91Å; N265-K267 PolarHBondContact OD1-N 3.09Å; K267-K271 WeakPolarHBondContact O-CB 3.47Å; K267-K271 WeakPolarHBondContact O-CD 3.44Å; K267-K271 VanDerWaalsContact O-CG 3.24Å; K267-K271 WeakPolarHBondContact O-CG 3.24Å; K267-K271 PolarHBondContact O-N 3.21Å
268A97.8Very high96.4Very high0 Ų048.7 Ų48.70%023%0.227CC..Hα-helixtrans-67-47.4177.100000110.9L236 C255 L258 I259 N265 V266 Y270 K271 R272L236-A268 HydrophobicContact CD2-CB 4.07Å; C255-A268 HydrophobicContact CB-CB 4.39Å; L258-A268 HydrophobicContact CB-CB 4.24Å; I259-A268 HydrophobicContact CD1-CB 4.14Å; I259-A268 HydrophobicContact CG1-CB 3.74Å; N265-A268 HydrophobicContact CB-CB 4.01Å; N265-A268 WeakPolarHBondContact O-CB 3.37Å; N265-A268 PolarHBondContact O-N 3.01Å; N265-A268 PolarHBondContact OD1-N 3.42Å; V266-A268 VanDerWaalsContact C-N 3.34Å; V266-A268 PolarHBondContact O-N 3.08Å; A268-Y270 PolarHBondContact O-N 3.26Å; A268-K271 PolarHBondContact O-N 3.45Å; A268-R272 VanDerWaalsContact O-CB 3.31Å; A268-R272 WeakPolarHBondContact O-CB 3.49Å; A268-R272 PolarHBondContact O-N 2.97Å
269Y98.5Very high96.4Very high23 Ų2349.6 Ų49.69%0.0923%0.233CC..Hα-helixtrans-59.1-45.9174.9-75.3-77.9000111.8I259 E263 N265 V266 K271 R272 G273 D288 K291 L295I259-Y269 HydrophobicContact CD1-CD1 3.67Å; I259-Y269 HydrophobicContact CD1-CD2 4.25Å; I259-Y269 HydrophobicContact CD1-CE1 3.85Å; I259-Y269 HydrophobicContact CD1-CE2 4.38Å; I259-Y269 HydrophobicContact CD1-CG 3.9Å; I259-Y269 HydrophobicContact CG1-CD1 4.33Å; I259-Y269 HydrophobicContact CG1-CD2 4.14Å; I259-Y269 HydrophobicContact CG1-CE1 4.21Å; I259-Y269 HydrophobicContact CG1-CE2 4Å; I259-Y269 HydrophobicContact CG1-CG 4.3Å; I259-Y269 HydrophobicContact CG2-CE1 3.75Å; I259-Y269 HydrophobicContact CG2-CE2 4.02Å; I259-Y269 VanDerWaalsContact CG2-OH 3.25Å; I259-Y269 WeakPolarHBondContact CG2-OH 3.46Å; E263-Y269 VanDerWaalsContact O-CE2 3.26Å; E263-Y269 WeakPolarHBondContact O-CE2 3.37Å; E263-Y269 PolarHBondContact O-OH 3.1Å; N265-Y269 WeakPolarHBondContact O-CD2 3.3Å; N265-Y269 PolarHBondContact O-N 3.4Å; V266-Y269 PolarHBondContact O-N 3.01Å; Y269-K271 PolarHBondContact O-N 3.38Å; Y269-R272 PolarHBondContact O-N 3.49Å; Y269-G273 PolarHBondContact O-N 3.48Å; Y269-D288 WeakPolarHBondContact CD1-OD1 3.5Å; Y269-K291 HydrophobicContact CD1-CB 3.94Å; Y269-K291 HydrophobicContact CD1-CG 3.9Å; Y269-K291 HydrophobicContact CD2-CG 4.1Å; Y269-K291 HydrophobicContact CE1-CB 4.02Å; Y269-K291 HydrophobicContact CE1-CG 3.6Å; Y269-K291 HydrophobicContact CE2-CG 3.83Å; Y269-K291 HydrophobicContact CG-CB 4.3Å; Y269-K291 HydrophobicContact CG-CG 4.13Å; Y269-L295 HydrophobicContact CD2-CD1 4.08Å; Y269-L295 HydrophobicContact CE2-CD1 4.11Å
270Y98.4Very high96.1Very high47 Ų4754.8 Ų54.818%0.18425%0.252CS..Hα-helixtrans-60.8-45.1179.9-170.9-92.4000112.3V266 A268 K274 F289 V292 V303 E306V266-Y270 WeakPolarHBondContact O-CB 3.14Å; V266-Y270 PolarHBondContact O-N 3.07Å; A268-Y270 PolarHBondContact O-N 3.26Å; Y270-K274 HydrophobicContact CD1-CD 4.03Å; Y270-K274 HydrophobicContact CD1-CG 4.47Å; Y270-K274 HydrophobicContact CE1-CD 3.45Å; Y270-K274 VanDerWaalsContact CE1-CD 3.45Å; Y270-K274 HydrophobicContact CE1-CG 4.19Å; Y270-K274 WeakPolarHBondContact O-CG 3.37Å; Y270-K274 PolarHBondContact O-N 2.85Å; Y270-K274 VanDerWaalsContact O-N 3.08Å; Y270-F289 HydrophobicContact CD2-CD1 4.47Å; Y270-F289 HydrophobicContact CD2-CE1 4.22Å; Y270-F289 HydrophobicContact CE2-CE1 4.26Å; Y270-V292 HydrophobicContact CD2-CG1 4.19Å; Y270-V292 HydrophobicContact CD2-CG2 4.36Å; Y270-V303 HydrophobicContact CD2-CG2 4.18Å; Y270-V303 HydrophobicContact CE2-CG2 3.99Å; Y270-E306 WeakPolarHBondContact OH-CG 3.47Å
271K98.4Very high96.2Very high19 Ų1949.4 Ų49.48%0.08323%0.231CC..Hα-helixtrans-67.9-41.6178.7-70.7169-167.4-76.30112L236 C239 L243 V251 K267 A268 Y269 K274 A275L236-K271 HydrophobicContact CD2-CD 4.05Å; L236-K271 WeakPolarHBondContact O-CE 3.34Å; L236-K271 PolarHBondContact O-NZ 3.09Å; C239-K271 HydrophobicContact CB-CD 4.09Å; L243-K271 HydrophobicContact CD1-CB 3.96Å; L243-K271 HydrophobicContact CD1-CG 3.97Å; V251-K271 HydrophobicContact CG1-CB 4.31Å; K267-K271 WeakPolarHBondContact O-CB 3.47Å; K267-K271 WeakPolarHBondContact O-CD 3.44Å; K267-K271 VanDerWaalsContact O-CG 3.24Å; K267-K271 WeakPolarHBondContact O-CG 3.24Å; K267-K271 PolarHBondContact O-N 3.21Å; A268-K271 PolarHBondContact O-N 3.45Å; Y269-K271 PolarHBondContact O-N 3.38Å; K271-K274 PolarHBondContact O-N 2.82Å; K271-A275 PolarHBondContact O-N 3.35Å
272R98.5Very high96.3Very high43 Ų4348.7 Ų48.716%0.16223%0.229CC..Hα-helixtrans-64.7-43.6176.9-164.4176.367.2-178.7-3.8111.6I252 C255 S256 I259 A268 Y269 K274 A275 H276 D288I252-R272 HydrophobicContact CG1-CG 4.46Å; C255-R272 HydrophobicContact CB-CB 3.7Å; C255-R272 HydrophobicContact CB-CG 4.16Å; S256-R272 VanDerWaalsContact OG-CD 3.23Å; S256-R272 WeakPolarHBondContact OG-CD 3.33Å; S256-R272 PolarHBondContact OG-NH1 3.28Å; S256-R272 VanDerWaalsContact OG-NH1 3.08Å; I259-R272 VanDerWaalsContact CD1-CZ 3.4Å; A268-R272 VanDerWaalsContact O-CB 3.31Å; A268-R272 WeakPolarHBondContact O-CB 3.49Å; A268-R272 PolarHBondContact O-N 2.97Å; Y269-R272 PolarHBondContact O-N 3.49Å; R272-K274 VanDerWaalsContact C-N 3.34Å; R272-K274 PolarHBondContact O-N 3.22Å; R272-A275 WeakPolarHBondContact O-CB 3.36Å; R272-A275 PolarHBondContact O-N 2.9Å; R272-A275 VanDerWaalsContact O-N 3.09Å; R272-H276 PolarHBondContact O-CD2 3.28Å; R272-H276 VanDerWaalsContact O-CD2 3.28Å; R272-H276 PolarHBondContact O-N 2.85Å; R272-D288 WeakPolarHBondContact CB-OD2 3.34Å; R272-D288 WeakPolarHBondContact CG-OD2 3.46Å; R272-D288 IonicContact CZ-OD1 2.99Å; R272-D288 IonicContact CZ-OD2 3.43Å; R272-D288 IonicContact NE-OD1 3.73Å; R272-D288 PolarHBondContact NE-OD1 3.43Å; R272-D288 IonicContact NE-OD2 2.73Å; R272-D288 PolarHBondContact NE-OD2 2.9Å; R272-D288 IonicContact NH2-OD1 3.02Å; R272-D288 PolarHBondContact NH2-OD1 2.84Å; R272-D288 IonicContact NH2-OD2 3.37Å
273G98.1Very high96.5Very high0 Ų054.2 Ų54.20%025%0.254CS..Hα-helixtrans-59.8-42.6175.500000112.3Y269 H276 A277 A285 D288Y269-G273 PolarHBondContact O-N 3.48Å; G273-H276 PolarHBondContact O-N 2.99Å; G273-A277 WeakPolarHBondContact O-CB 3.36Å; G273-A277 PolarHBondContact O-N 3.08Å; G273-A285 WeakPolarHBondContact O-CB 3.31Å; G273-D288 PolarHBondContact N-OD2 3.43Å
274K98.1Very high96.7Very high59 Ų5951.8 Ų51.826%0.25724%0.243SC..Hα-helixtrans-62.4-40.7172.4-75.3-169.963.3149.50113.2L243 Y270 K271 R272 A277 A278 F289 E306L243-K274 HydrophobicContact CD2-CB 4.27Å; Y270-K274 HydrophobicContact CD1-CD 4.03Å; Y270-K274 HydrophobicContact CD1-CG 4.47Å; Y270-K274 HydrophobicContact CE1-CD 3.45Å; Y270-K274 VanDerWaalsContact CE1-CD 3.45Å; Y270-K274 HydrophobicContact CE1-CG 4.19Å; Y270-K274 WeakPolarHBondContact O-CG 3.37Å; Y270-K274 PolarHBondContact O-N 2.85Å; Y270-K274 VanDerWaalsContact O-N 3.08Å; K271-K274 PolarHBondContact O-N 2.82Å; R272-K274 VanDerWaalsContact C-N 3.34Å; R272-K274 PolarHBondContact O-N 3.22Å; K274-A277 WeakPolarHBondContact O-CB 3.45Å; K274-A277 PolarHBondContact O-N 3.21Å; K274-A278 PolarHBondContact O-N 2.89Å; K274-A278 VanDerWaalsContact O-N 3.1Å; K274-F289 HydrophobicContact CG-CE1 4.28Å; K274-F289 HydrophobicContact CG-CZ 4.04Å; K274-E306 HydrophobicContact CD-CG 4.28Å; K274-E306 WeakPolarHBondContact CE-OE1 3.5Å; K274-E306 HydrophobicContact CG-CG 4.23Å; K274-E306 IonicContact NZ-OE1 3.86Å; K274-E306 PolarHBondContact NZ-OE1 3.17Å; K274-E306 IonicContact NZ-OE2 3.29Å
275A98.1Very high96.8Very high0 Ų046.3 Ų46.30%021%0.214CC..Hα-helixtrans-65-47.2176.600000111.4L243 V251 I252 K271 R272 A277 A278 V279L243-A275 HydrophobicContact CD2-CB 4.1Å; V251-A275 HydrophobicContact CB-CB 4.08Å; V251-A275 HydrophobicContact CG1-CB 3.93Å; I252-A275 HydrophobicContact CD1-CB 4.19Å; I252-A275 HydrophobicContact CG1-CB 3.64Å; K271-A275 PolarHBondContact O-N 3.35Å; R272-A275 WeakPolarHBondContact O-CB 3.36Å; R272-A275 PolarHBondContact O-N 2.9Å; R272-A275 VanDerWaalsContact O-N 3.09Å; A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 2.99Å; A275-A278 WeakPolarHBondContact O-CB 3.37Å; A275-A278 PolarHBondContact O-N 3.3Å; A275-A278 VanDerWaalsContact O-N 3.11Å; A275-V279 WeakPolarHBondContact O-CG2 3Å; A275-V279 PolarHBondContact O-N 3.39Å; A275-V279 VanDerWaalsContact O-N 3.11Å
276H98.3Very high96.9Very high19 Ų1949.5 Ų49.59%0.08822%0.224CC..Hα-helixtrans-57.5-42.7174.1-80.2-66.7000112.2R272 G273 A278 V279 W280 N281 E284 A285 D288R272-H276 PolarHBondContact O-CD2 3.28Å; R272-H276 VanDerWaalsContact O-CD2 3.28Å; R272-H276 PolarHBondContact O-N 2.85Å; G273-H276 PolarHBondContact O-N 2.99Å; H276-A278 VanDerWaalsContact C-N 3.28Å; H276-A278 PolarHBondContact O-N 2.89Å; H276-V279 CarbonylContact O-C 3.39Å; H276-V279 PolarHBondContact O-N 3.32Å; H276-W280 PolarHBondContact O-N 3.12Å; H276-W280 VanDerWaalsContact O-N 3.12Å; H276-N281 HydrophobicContact CB-CB 3.9Å; H276-N281 VanDerWaalsContact ND1-CB 3.34Å; H276-N281 WeakPolarHBondContact ND1-CB 3.23Å; H276-N281 PolarHBondContact ND1-ND2 3.04Å; H276-N281 PolarHBondContact O-N 2.96Å; H276-E284 HydrophobicContact CB-CB 4.34Å; H276-A285 HydrophobicContact CB-CB 3.71Å; H276-D288 IonicContact CD2-OD2 3.49Å; H276-D288 PolarHBondContact CD2-OD2 2.91Å
277A96.4Very high96.9Very high14 Ų1450.9 Ų50.912%0.11624%0.238CC..Hα-helixtrans-58.1-40.9175.400000112.3G273 K274 A275 W280 A285 M310G273-A277 WeakPolarHBondContact O-CB 3.36Å; G273-A277 PolarHBondContact O-N 3.08Å; K274-A277 WeakPolarHBondContact O-CB 3.45Å; K274-A277 PolarHBondContact O-N 3.21Å; A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 2.99Å; A277-W280 PolarHBondContact O-N 3.44Å; A277-A285 HydrophobicContact CB-CB 4.26Å; A277-M310 HydrophobicContact CB-CB 4.44Å; A277-M310 HydrophobicContact CB-CE 3.33Å; A277-M310 HydrophobicContact CB-CG 4.22Å; A277-M310 HydrophobicContact CB-SD 4.49Å
278A94.7Very high97Very high24 Ų2444.5 Ų44.520%0.19821%0.211CC..Hα-helixtrans-71.3-30.6-179.800000113.2Y248 K274 A275 H276Y248-A278 HydrophobicContact CD1-CB 3.63Å; Y248-A278 HydrophobicContact CD2-CB 3.83Å; Y248-A278 HydrophobicContact CE1-CB 3.42Å; Y248-A278 VanDerWaalsContact CE1-CB 3.42Å; Y248-A278 HydrophobicContact CE2-CB 3.61Å; Y248-A278 HydrophobicContact CG-CB 3.82Å; K274-A278 PolarHBondContact O-N 2.89Å; K274-A278 VanDerWaalsContact O-N 3.1Å; A275-A278 WeakPolarHBondContact O-CB 3.37Å; A275-A278 PolarHBondContact O-N 3.3Å; A275-A278 VanDerWaalsContact O-N 3.11Å; H276-A278 VanDerWaalsContact C-N 3.28Å; H276-A278 PolarHBondContact O-N 2.89Å
279V94.6Very high97Very high20 Ų2044.6 Ų44.612%0.12121%0.211CC..THydrogen-bonded Turntrans-97.415.9177.2-570000114.1Y248 Y249 I252 A275 H276 N281Y248-V279 HydrophobicContact CD2-CG1 3.89Å; Y248-V279 HydrophobicContact CG-CG1 4.05Å; Y249-V279 HydrophobicContact CE1-CG1 4.39Å; Y249-V279 HydrophobicContact CE2-CG1 4.33Å; I252-V279 HydrophobicContact CD1-CG2 3.92Å; A275-V279 WeakPolarHBondContact O-CG2 3Å; A275-V279 PolarHBondContact O-N 3.39Å; A275-V279 VanDerWaalsContact O-N 3.11Å; H276-V279 CarbonylContact O-C 3.39Å; H276-V279 PolarHBondContact O-N 3.32Å; V279-N281 VanDerWaalsContact C-N 3.29Å; V279-N281 HydrophobicContact CG2-CB 4.32Å; V279-N281 PolarHBondContact O-N 2.79Å
280W91.9Very high97Very high120 Ų12046.2 Ų46.246%0.45523%0.23SC..THydrogen-bonded Turntrans67.319.9175.3-45.892.2000115.9H276 A277 E282 K313 K317H276-W280 PolarHBondContact O-N 3.12Å; H276-W280 VanDerWaalsContact O-N 3.12Å; A277-W280 PolarHBondContact O-N 3.44Å; W280-E282 VanDerWaalsContact C-N 3.29Å; W280-E282 PolarHBondContact O-N 2.82Å; W280-E282 VanDerWaalsContact O-N 3.09Å; W280-K313 HydrophobicContact CH2-CB 3.81Å; W280-K313 HydrophobicContact CZ3-CB 3.82Å; W280-K317 HydrophobicContact CE3-CD 4.34Å; W280-K317 HydrophobicContact CH2-CB 4.46Å; W280-K317 HydrophobicContact CH2-CD 4.25Å; W280-K317 HydrophobicContact CZ3-CB 4.47Å; W280-K317 HydrophobicContact CZ3-CD 4.16Å
281N94.5Very high97Very high63 Ų6346.6 Ų46.634%0.33723%0.232SC..  trans-85.570.8173.8-71.2-14.6000109.6H276 V279 K283 E284 A285H276-N281 HydrophobicContact CB-CB 3.9Å; H276-N281 VanDerWaalsContact ND1-CB 3.34Å; H276-N281 WeakPolarHBondContact ND1-CB 3.23Å; H276-N281 PolarHBondContact ND1-ND2 3.04Å; H276-N281 PolarHBondContact O-N 2.96Å; V279-N281 VanDerWaalsContact C-N 3.29Å; V279-N281 HydrophobicContact CG2-CB 4.32Å; V279-N281 PolarHBondContact O-N 2.79Å; N281-K283 PolarHBondContact O-N 2.81Å; N281-E284 HydrophobicContact CB-CB 4.3Å; N281-E284 WeakPolarHBondContact CB-OE2 3.21Å; N281-E284 PolarHBondContact O-N 3.47Å; N281-A285 WeakPolarHBondContact O-CB 3.41Å; N281-A285 PolarHBondContact O-N 3.18Å
282E94.4Very high97Very high63 Ų6345.7 Ų45.729%0.29423%0.228SC..Hα-helixtrans-59.7-44.8-171.1178.4-179.7-175.600112.9W280 E284 A285 R286 M310 L314W280-E282 VanDerWaalsContact C-N 3.29Å; W280-E282 PolarHBondContact O-N 2.82Å; W280-E282 VanDerWaalsContact O-N 3.09Å; E282-E284 PolarHBondContact O-N 3.48Å; E282-A285 PolarHBondContact O-N 3.33Å; E282-R286 HydrophobicContact CG-CG 4.4Å; E282-R286 WeakPolarHBondContact O-CG 3.34Å; E282-R286 PolarHBondContact O-N 3.21Å; E282-R286 IonicContact OE1-CZ 2.68Å; E282-R286 VanDerWaalsContact OE1-CZ 3.29Å; E282-R286 IonicContact OE1-NE 3.88Å; E282-R286 PolarHBondContact OE1-NE 3.36Å; E282-R286 IonicContact OE1-NH2 3.12Å; E282-R286 PolarHBondContact OE1-NH2 3.05Å; E282-M310 HydrophobicContact CB-SD 4.26Å; E282-M310 HydrophobicContact CG-SD 3.94Å; E282-L314 VanDerWaalsContact OE2-CD2 3.3Å; E282-L314 WeakPolarHBondContact OE2-CD2 3.44Å
283K96.4Very high96.9Very high174 Ų17446 Ų4676%0.75723%0.233SC*.Hα-helixtrans-63-46.6-175.5-69.1-178.4178.6178.80110.7N281 R286 A287N281-K283 PolarHBondContact O-N 2.81Å; K283-R286 PolarHBondContact O-N 2.96Å; K283-A287 WeakPolarHBondContact O-CB 3.37Å; K283-A287 PolarHBondContact O-N 2.97Å
284E97.8Very high96.9Very high91 Ų9152.3 Ų52.343%0.42526%0.262SS..Hα-helixtrans-65.8-43.2179.4-63.672.1-162.900110.6H276 N281 E282 R286 A287 D288H276-E284 HydrophobicContact CB-CB 4.34Å; N281-E284 HydrophobicContact CB-CB 4.3Å; N281-E284 WeakPolarHBondContact CB-OE2 3.21Å; N281-E284 PolarHBondContact O-N 3.47Å; E282-E284 PolarHBondContact O-N 3.48Å; E284-R286 PolarHBondContact O-N 3.47Å; E284-A287 PolarHBondContact O-N 3.47Å; E284-D288 PolarHBondContact O-N 2.72Å
285A97.8Very high96.9Very high0 Ų052.4 Ų52.40%027%0.265CS..Hα-helixtrans-62.6-44.2177.100000112.5G273 H276 A277 N281 E282 A287 D288 F289 M310G273-A285 WeakPolarHBondContact O-CB 3.31Å; H276-A285 HydrophobicContact CB-CB 3.71Å; A277-A285 HydrophobicContact CB-CB 4.26Å; N281-A285 WeakPolarHBondContact O-CB 3.41Å; N281-A285 PolarHBondContact O-N 3.18Å; E282-A285 PolarHBondContact O-N 3.33Å; A285-A287 VanDerWaalsContact C-N 3.34Å; A285-D288 PolarHBondContact O-N 2.91Å; A285-F289 HydrophobicContact CB-CE2 4.4Å; A285-F289 WeakPolarHBondContact O-CB 3.49Å; A285-F289 WeakPolarHBondContact O-CD2 3.36Å; A285-F289 WeakPolarHBondContact O-CG 3.38Å; A285-F289 PolarHBondContact O-N 3.47Å; A285-M310 HydrophobicContact CB-CE 3.25Å; A285-M310 HydrophobicContact CB-SD 4.38Å
286R97.5Very high96.8Very high90 Ų9054.9 Ų54.934%0.3428%0.279SS..Hα-helixtrans-63.5-39.8176.1-72.8-175.6-173.7-85.71.5111.8E282 K283 E284 F289 A290 L307 E311E282-R286 HydrophobicContact CG-CG 4.4Å; E282-R286 WeakPolarHBondContact O-CG 3.34Å; E282-R286 PolarHBondContact O-N 3.21Å; E282-R286 IonicContact OE1-CZ 2.68Å; E282-R286 VanDerWaalsContact OE1-CZ 3.29Å; E282-R286 IonicContact OE1-NE 3.88Å; E282-R286 PolarHBondContact OE1-NE 3.36Å; E282-R286 IonicContact OE1-NH2 3.12Å; E282-R286 PolarHBondContact OE1-NH2 3.05Å; K283-R286 PolarHBondContact O-N 2.96Å; E284-R286 PolarHBondContact O-N 3.47Å; R286-F289 PolarHBondContact O-N 3.44Å; R286-A290 WeakPolarHBondContact O-CB 3.49Å; R286-A290 PolarHBondContact O-N 3.47Å; R286-L307 HydrophobicContact CG-CD2 4.02Å; R286-E311 IonicContact CZ-OE1 2.81Å; R286-E311 IonicContact NH1-OE1 3Å; R286-E311 PolarHBondContact NH1-OE1 2.99Å; R286-E311 IonicContact NH2-OE1 2.77Å; R286-E311 PolarHBondContact NH2-OE1 3.23Å
287A98.1Very high96.8Very high60 Ų6058.2 Ų58.250%0.49630%0.302SS..Hα-helixtrans-62.8-45.4176.100000111.7K283 E284 A285 A290 K291K283-A287 WeakPolarHBondContact O-CB 3.37Å; K283-A287 PolarHBondContact O-N 2.97Å; E284-A287 PolarHBondContact O-N 3.47Å; A285-A287 VanDerWaalsContact C-N 3.34Å; A287-A290 PolarHBondContact O-N 3.03Å; A287-K291 PolarHBondContact O-N 2.99Å
288D98.4Very high96.8Very high6 Ų662.1 Ų62.13%0.03233%0.329CS..Hα-helixtrans-61.8-45.3176.4-81.4-15.1000111.8Y269 R272 G273 H276 E284 A285 K291 V292Y269-D288 WeakPolarHBondContact CD1-OD1 3.5Å; R272-D288 WeakPolarHBondContact CB-OD2 3.34Å; R272-D288 WeakPolarHBondContact CG-OD2 3.46Å; R272-D288 IonicContact CZ-OD1 2.99Å; R272-D288 IonicContact CZ-OD2 3.43Å; R272-D288 IonicContact NE-OD1 3.73Å; R272-D288 PolarHBondContact NE-OD1 3.43Å; R272-D288 IonicContact NE-OD2 2.73Å; R272-D288 PolarHBondContact NE-OD2 2.9Å; R272-D288 IonicContact NH2-OD1 3.02Å; R272-D288 PolarHBondContact NH2-OD1 2.84Å; R272-D288 IonicContact NH2-OD2 3.37Å; G273-D288 PolarHBondContact N-OD2 3.43Å; H276-D288 IonicContact CD2-OD2 3.49Å; H276-D288 PolarHBondContact CD2-OD2 2.91Å; E284-D288 PolarHBondContact O-N 2.72Å; A285-D288 PolarHBondContact O-N 2.91Å; D288-K291 PolarHBondContact O-N 3.25Å; D288-V292 WeakPolarHBondContact O-CG2 3.38Å; D288-V292 PolarHBondContact O-N 3.19Å
289F98.4Very high96.9Very high1 Ų163.2 Ų63.20%0.00433%0.331CS..Hα-helixtrans-65.8-37177.5-74.7-43.8000113.2Y270 K274 A285 R286 K291 V292 L293 V303 E306 L307 M310Y270-F289 HydrophobicContact CD2-CD1 4.47Å; Y270-F289 HydrophobicContact CD2-CE1 4.22Å; Y270-F289 HydrophobicContact CE2-CE1 4.26Å; K274-F289 HydrophobicContact CG-CE1 4.28Å; K274-F289 HydrophobicContact CG-CZ 4.04Å; A285-F289 HydrophobicContact CB-CE2 4.4Å; A285-F289 WeakPolarHBondContact O-CB 3.49Å; A285-F289 WeakPolarHBondContact O-CD2 3.36Å; A285-F289 WeakPolarHBondContact O-CG 3.38Å; A285-F289 PolarHBondContact O-N 3.47Å; R286-F289 PolarHBondContact O-N 3.44Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.91Å; F289-V292 WeakPolarHBondContact O-CB 3.41Å; F289-V292 PolarHBondContact O-N 2.92Å; F289-L293 WeakPolarHBondContact O-CG 3.41Å; F289-L293 PolarHBondContact O-N 3.31Å; F289-L293 VanDerWaalsContact O-N 3.14Å; F289-V303 HydrophobicContact CB-CG1 3.63Å; F289-V303 HydrophobicContact CD1-CB 4.48Å; F289-V303 HydrophobicContact CD1-CG1 3.99Å; F289-V303 HydrophobicContact CD1-CG2 4.06Å; F289-V303 HydrophobicContact CG-CG1 3.88Å; F289-E306 HydrophobicContact CE1-CB 4.22Å; F289-E306 HydrophobicContact CE2-CB 4.17Å; F289-E306 HydrophobicContact CZ-CB 3.66Å; F289-E306 HydrophobicContact CZ-CG 4.29Å; F289-L307 HydrophobicContact CD2-CD2 3.6Å; F289-L307 HydrophobicContact CD2-CG 4.03Å; F289-L307 HydrophobicContact CE2-CD2 4.25Å; F289-L307 HydrophobicContact CG-CD2 4.42Å; F289-M310 HydrophobicContact CE2-CE 4.04Å
290A97.9Very high97Very high58 Ų5867.6 Ų67.648%0.47935%0.35SS..Hα-helixtrans-61.6-42172.500000111.1R286 A287 V292 L293 E294R286-A290 WeakPolarHBondContact O-CB 3.49Å; R286-A290 PolarHBondContact O-N 3.47Å; A287-A290 PolarHBondContact O-N 3.03Å; A290-V292 VanDerWaalsContact C-N 3.35Å; A290-V292 PolarHBondContact O-N 3Å; A290-L293 PolarHBondContact O-N 3.31Å; A290-E294 PolarHBondContact O-N 3.26Å
291K98.2Very high97.2Very high54 Ų5465.7 Ų65.724%0.23536%0.36CS..Hα-helixtrans-66-35.9176.7-167.557.4176.9-177.70112.7Y269 A287 D288 F289 L293 E294 L295Y269-K291 HydrophobicContact CD1-CB 3.94Å; Y269-K291 HydrophobicContact CD1-CG 3.9Å; Y269-K291 HydrophobicContact CD2-CG 4.1Å; Y269-K291 HydrophobicContact CE1-CB 4.02Å; Y269-K291 HydrophobicContact CE1-CG 3.6Å; Y269-K291 HydrophobicContact CE2-CG 3.83Å; Y269-K291 HydrophobicContact CG-CB 4.3Å; Y269-K291 HydrophobicContact CG-CG 4.13Å; A287-K291 PolarHBondContact O-N 2.99Å; D288-K291 PolarHBondContact O-N 3.25Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.91Å; K291-L293 VanDerWaalsContact C-N 3.34Å; K291-L293 PolarHBondContact O-N 2.72Å; K291-E294 HydrophobicContact CD-CB 4.46Å; K291-E294 WeakPolarHBondContact CD-OE2 3.49Å; K291-E294 IonicContact NZ-OE1 3.83Å; K291-E294 PolarHBondContact NZ-OE1 3.36Å; K291-E294 IonicContact NZ-OE2 3.99Å; K291-E294 PolarHBondContact NZ-OE2 3.46Å; K291-E294 PolarHBondContact O-N 3.46Å; K291-L295 HydrophobicContact CG-CD1 4.26Å; K291-L295 WeakPolarHBondContact O-CG 3.34Å; K291-L295 PolarHBondContact O-N 3.35Å; K291-L295 VanDerWaalsContact O-N 3.11Å
292V98.3Very high97.2Very high0 Ų065.2 Ų65.20%036%0.361CS..Hα-helixtrans-57.5-46.7171.2170.80000111.1V266 Y270 D288 F289 A290 E294 L295 D296 L299 V303V266-V292 HydrophobicContact CG1-CG1 3.96Å; Y270-V292 HydrophobicContact CD2-CG1 4.19Å; Y270-V292 HydrophobicContact CD2-CG2 4.36Å; D288-V292 WeakPolarHBondContact O-CG2 3.38Å; D288-V292 PolarHBondContact O-N 3.19Å; F289-V292 WeakPolarHBondContact O-CB 3.41Å; F289-V292 PolarHBondContact O-N 2.92Å; A290-V292 VanDerWaalsContact C-N 3.35Å; A290-V292 PolarHBondContact O-N 3Å; V292-E294 VanDerWaalsContact C-N 3.35Å; V292-L295 PolarHBondContact O-N 3.1Å; V292-D296 CarbonylContact O-C 3.59Å; V292-D296 PolarHBondContact O-N 3.39Å; V292-L299 HydrophobicContact CG1-CB 4.06Å; V292-L299 HydrophobicContact CG1-CD1 3.66Å; V292-V303 HydrophobicContact CB-CG2 4.36Å; V292-V303 HydrophobicContact CG1-CG2 3.85Å
293L97.9Very high97.4Very high50 Ų5062.2 Ų62.226%0.26235%0.347SS..Hα-helixtrans-72-28.5-178.4-62.5-178.8000113.4F289 A290 K291 P297 E300 V303F289-L293 WeakPolarHBondContact O-CG 3.41Å; F289-L293 PolarHBondContact O-N 3.31Å; F289-L293 VanDerWaalsContact O-N 3.14Å; A290-L293 PolarHBondContact O-N 3.31Å; K291-L293 VanDerWaalsContact C-N 3.34Å; K291-L293 PolarHBondContact O-N 2.72Å; L293-P297 WeakPolarHBondContact O-CG 3.46Å; L293-E300 VanDerWaalsContact CD2-CA 3.45Å; L293-E300 HydrophobicContact CD2-CB 4.05Å; L293-V303 HydrophobicContact CD1-CB 4.47Å; L293-V303 HydrophobicContact CD1-CG1 4Å; L293-V303 HydrophobicContact CD2-CB 4Å; L293-V303 HydrophobicContact CD2-CG1 4.35Å; L293-V303 HydrophobicContact CD2-CG2 3.84Å; L293-V303 HydrophobicContact CG-CB 4.37Å; L293-V303 HydrophobicContact CG-CG1 4.19Å; L293-V303 HydrophobicContact CG-CG2 4.27Å
294E97.7Very high97.3Very high132 Ų13257.5 Ų57.562%0.61733%0.331SS*.Hα-helixtrans-64.6-42.1171.1-170-165.2140.700111.3A290 K291 V292A290-E294 PolarHBondContact O-N 3.26Å; K291-E294 HydrophobicContact CD-CB 4.46Å; K291-E294 WeakPolarHBondContact CD-OE2 3.49Å; K291-E294 IonicContact NZ-OE1 3.83Å; K291-E294 PolarHBondContact NZ-OE1 3.36Å; K291-E294 IonicContact NZ-OE2 3.99Å; K291-E294 PolarHBondContact NZ-OE2 3.46Å; K291-E294 PolarHBondContact O-N 3.46Å; V292-E294 VanDerWaalsContact C-N 3.35Å
295L97.3Very high97.3Very high61 Ų6160.6 Ų60.632%0.31934%0.342SS..Hα-helixtrans-84.2-36.9-177-64.6173.2000113.4V266 Y269 K291 V292V266-L295 HydrophobicContact CG2-CB 3.61Å; V266-L295 HydrophobicContact CG2-CD1 4.07Å; V266-L295 HydrophobicContact CG2-CG 4.49Å; Y269-L295 HydrophobicContact CD2-CD1 4.08Å; Y269-L295 HydrophobicContact CE2-CD1 4.11Å; K291-L295 HydrophobicContact CG-CD1 4.26Å; K291-L295 WeakPolarHBondContact O-CG 3.34Å; K291-L295 PolarHBondContact O-N 3.35Å; K291-L295 VanDerWaalsContact O-N 3.11Å; V292-L295 PolarHBondContact O-N 3.1Å
296D96.9Very high97.2Very high52 Ų5262.6 Ų62.628%0.27835%0.352SS..  trans-142.790.2-180-173.9-3.1000111.3V266 V292 S298 L299V266-D296 HydrophobicContact CG1-CB 3.92Å; V266-D296 HydrophobicContact CG2-CB 4.26Å; V292-D296 CarbonylContact O-C 3.59Å; V292-D296 PolarHBondContact O-N 3.39Å; D296-S298 PolarHBondContact O-N 2.83Å; D296-S298 VanDerWaalsContact O-N 3.12Å; D296-S298 VanDerWaalsContact OD1-CB 3.26Å; D296-S298 WeakPolarHBondContact OD1-CB 3.42Å; D296-S298 PolarHBondContact OD1-N 2.95Å; D296-S298 PolarHBondContact OD1-OG 2.89Å; D296-S298 PolarHBondContact OD2-OG 2.93Å; D296-L299 HydrophobicContact CB-CD1 4.13Å; D296-L299 HydrophobicContact CB-CG 4.39Å; D296-L299 PolarHBondContact O-N 3.47Å
297P97Very high97.1Very high89 Ų8959.7 Ų59.758%0.57834%0.343SS*.G310 helixtrans-60.2-19.9177.5-25.134.2000114.3L293 L299 E300L293-P297 WeakPolarHBondContact O-CG 3.46Å; P297-L299 PolarHBondContact O-N 3.5Å; P297-L299 VanDerWaalsContact O-N 3.16Å; P297-E300 WeakPolarHBondContact O-CB 3.48Å; P297-E300 PolarHBondContact O-N 3.37Å
298S97.2Very high97Very high97 Ų9763 Ų6368%0.67835%0.346SS*.G310 helixtrans-66.5-18.1-179.178.10000113.1D296 E300D296-S298 PolarHBondContact O-N 2.83Å; D296-S298 VanDerWaalsContact O-N 3.12Å; D296-S298 VanDerWaalsContact OD1-CB 3.26Å; D296-S298 WeakPolarHBondContact OD1-CB 3.42Å; D296-S298 PolarHBondContact OD1-N 2.95Å; D296-S298 PolarHBondContact OD1-OG 2.89Å; D296-S298 PolarHBondContact OD2-OG 2.93Å; S298-E300 VanDerWaalsContact C-N 3.3Å; S298-E300 PolarHBondContact O-N 3.48Å
299L96.3Very high96.8Very high46 Ų4664.6 Ų64.624%0.24136%0.36CS..G310 helixtrans-842.1179.6-64.6176000113.9V266 V292 D296 P297 A301 S302 V303V266-L299 HydrophobicContact CG1-CD1 3.62Å; V292-L299 HydrophobicContact CG1-CB 4.06Å; V292-L299 HydrophobicContact CG1-CD1 3.66Å; D296-L299 HydrophobicContact CB-CD1 4.13Å; D296-L299 HydrophobicContact CB-CG 4.39Å; D296-L299 PolarHBondContact O-N 3.47Å; P297-L299 PolarHBondContact O-N 3.5Å; P297-L299 VanDerWaalsContact O-N 3.16Å; L299-A301 VanDerWaalsContact C-N 3.34Å; L299-A301 PolarHBondContact O-N 2.96Å; L299-S302 WeakPolarHBondContact O-CA 3.4Å; L299-S302 WeakPolarHBondContact O-CB 3.06Å; L299-S302 PolarHBondContact O-N 3.38Å; L299-V303 HydrophobicContact CB-CG2 4.46Å; L299-V303 PolarHBondContact O-N 3.36Å
300E96Very high96.5Very high113 Ų11365.1 Ų65.153%0.52836%0.363SS..Hα-helixtrans-48.7-49.1-177.4-173.7178.3171.600113.6L293 P297 S298 S302 V303 N304L293-E300 VanDerWaalsContact CD2-CA 3.45Å; L293-E300 HydrophobicContact CD2-CB 4.05Å; P297-E300 WeakPolarHBondContact O-CB 3.48Å; P297-E300 PolarHBondContact O-N 3.37Å; S298-E300 VanDerWaalsContact C-N 3.3Å; S298-E300 PolarHBondContact O-N 3.48Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 3.41Å; E300-V303 PolarHBondContact O-N 3.07Å; E300-N304 WeakPolarHBondContact CG-ND2 3.46Å; E300-N304 WeakPolarHBondContact O-CB 3.4Å; E300-N304 PolarHBondContact O-N 3.46Å; E300-N304 PolarHBondContact O-ND2 2.97Å
301A96.8Very high96.3Very high80 Ų8066.6 Ų66.666%0.66136%0.36SS*.Hα-helixtrans-61.6-37.4179.200000112.8L299 K305L299-A301 VanDerWaalsContact C-N 3.34Å; L299-A301 PolarHBondContact O-N 2.96Å; A301-K305 PolarHBondContact O-N 3.41Å
302S95.8Very high96Very high52 Ų5268.3 Ų68.336%0.36437%0.369SS..Hα-helixtrans-71.9-44.5178.9-61.50000111.4L299 E300 K305 E306L299-S302 WeakPolarHBondContact O-CA 3.4Å; L299-S302 WeakPolarHBondContact O-CB 3.06Å; L299-S302 PolarHBondContact O-N 3.38Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 3.41Å; S302-K305 WeakPolarHBondContact O-CB 3.48Å; S302-K305 PolarHBondContact O-N 3.27Å; S302-E306 PolarHBondContact O-N 3.05Å
303V97.1Very high95.6Very high0 Ų074 Ų740%039%0.393CS..Hα-helixtrans-62.7-46.6177.3168.70000111.3Y270 F289 V292 L293 L299 E300 K305 E306 L307Y270-V303 HydrophobicContact CD2-CG2 4.18Å; Y270-V303 HydrophobicContact CE2-CG2 3.99Å; F289-V303 HydrophobicContact CB-CG1 3.63Å; F289-V303 HydrophobicContact CD1-CB 4.48Å; F289-V303 HydrophobicContact CD1-CG1 3.99Å; F289-V303 HydrophobicContact CD1-CG2 4.06Å; F289-V303 HydrophobicContact CG-CG1 3.88Å; V292-V303 HydrophobicContact CB-CG2 4.36Å; V292-V303 HydrophobicContact CG1-CG2 3.85Å; L293-V303 HydrophobicContact CD1-CB 4.47Å; L293-V303 HydrophobicContact CD1-CG1 4Å; L293-V303 HydrophobicContact CD2-CB 4Å; L293-V303 HydrophobicContact CD2-CG1 4.35Å; L293-V303 HydrophobicContact CD2-CG2 3.84Å; L293-V303 HydrophobicContact CG-CB 4.37Å; L293-V303 HydrophobicContact CG-CG1 4.19Å; L293-V303 HydrophobicContact CG-CG2 4.27Å; L299-V303 HydrophobicContact CB-CG2 4.46Å; L299-V303 PolarHBondContact O-N 3.36Å; E300-V303 PolarHBondContact O-N 3.07Å; V303-K305 PolarHBondContact O-N 3.45Å; V303-E306 PolarHBondContact O-N 2.99Å; V303-E306 VanDerWaalsContact O-N 3.1Å; V303-L307 HydrophobicContact CG1-CD1 3.89Å; V303-L307 HydrophobicContact CG1-CG 4.29Å; V303-L307 WeakPolarHBondContact O-CG 3.26Å; V303-L307 PolarHBondContact O-N 3.41Å
304N95.6Very high95.2Very high76 Ų7673.8 Ų73.841%0.40639%0.392SS..Hα-helixtrans-61.2-34178.7-77.4-23.2000112.3E300 K308E300-N304 WeakPolarHBondContact CG-ND2 3.46Å; E300-N304 WeakPolarHBondContact O-CB 3.4Å; E300-N304 PolarHBondContact O-N 3.46Å; E300-N304 PolarHBondContact O-ND2 2.97Å; N304-K308 VanDerWaalsContact O-CB 3.32Å; N304-K308 WeakPolarHBondContact O-CB 3.36Å; N304-K308 PolarHBondContact O-N 3.03Å
305K96.7Very high94.8Very high155 Ų15575.3 Ų75.367%0.67439%0.392SS*.Hα-helixtrans-63.9-45.3174-177-177.8176.1-1780112A301 S302 V303 A309A301-K305 PolarHBondContact O-N 3.41Å; S302-K305 WeakPolarHBondContact O-CB 3.48Å; S302-K305 PolarHBondContact O-N 3.27Å; V303-K305 PolarHBondContact O-N 3.45Å; K305-A309 WeakPolarHBondContact O-CB 3.35Å; K305-A309 PolarHBondContact O-N 2.68Å; K305-A309 VanDerWaalsContact O-N 3.1Å
306E96.2Very high94.4Very high43 Ų4376.1 Ų76.120%0.20140%0.403CS..Hα-helixtrans-68-41.5179.1-61.2-68.416800111.6Y270 K274 F289 S302 V303 A309 M310Y270-E306 WeakPolarHBondContact OH-CG 3.47Å; K274-E306 HydrophobicContact CD-CG 4.28Å; K274-E306 WeakPolarHBondContact CE-OE1 3.5Å; K274-E306 HydrophobicContact CG-CG 4.23Å; K274-E306 IonicContact NZ-OE1 3.86Å; K274-E306 PolarHBondContact NZ-OE1 3.17Å; K274-E306 IonicContact NZ-OE2 3.29Å; F289-E306 HydrophobicContact CE1-CB 4.22Å; F289-E306 HydrophobicContact CE2-CB 4.17Å; F289-E306 HydrophobicContact CZ-CB 3.66Å; F289-E306 HydrophobicContact CZ-CG 4.29Å; S302-E306 PolarHBondContact O-N 3.05Å; V303-E306 PolarHBondContact O-N 2.99Å; V303-E306 VanDerWaalsContact O-N 3.1Å; E306-A309 PolarHBondContact O-N 3.15Å; E306-M310 PolarHBondContact O-N 3.49Å
307L94.9Very high93.9Very high29 Ų2977.4 Ų77.415%0.15241%0.406CS..Hα-helixtrans-59.9-47.8175.1-74.1174000111.7R286 F289 V303 A309 M310 E311R286-L307 HydrophobicContact CG-CD2 4.02Å; F289-L307 HydrophobicContact CD2-CD2 3.6Å; F289-L307 HydrophobicContact CD2-CG 4.03Å; F289-L307 HydrophobicContact CE2-CD2 4.25Å; F289-L307 HydrophobicContact CG-CD2 4.42Å; V303-L307 HydrophobicContact CG1-CD1 3.89Å; V303-L307 HydrophobicContact CG1-CG 4.29Å; V303-L307 WeakPolarHBondContact O-CG 3.26Å; V303-L307 PolarHBondContact O-N 3.41Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.15Å; L307-M310 HydrophobicContact CD2-CE 4.44Å; L307-M310 WeakPolarHBondContact O-CB 3.33Å; L307-M310 PolarHBondContact O-N 3.37Å; L307-E311 WeakPolarHBondContact O-CG 3.28Å; L307-E311 PolarHBondContact O-N 3.36Å
308K95.6Very high93.4Very high128 Ų12878.4 Ų78.456%0.55740%0.403SS*.Hα-helixtrans-59.7-43177.3-173.7179.8178.4-176.30111.8N304 M310 E311 E312N304-K308 VanDerWaalsContact O-CB 3.32Å; N304-K308 WeakPolarHBondContact O-CB 3.36Å; N304-K308 PolarHBondContact O-N 3.03Å; K308-M310 VanDerWaalsContact C-N 3.33Å; K308-M310 PolarHBondContact O-N 3.29Å; K308-E311 PolarHBondContact O-N 2.95Å; K308-E312 WeakPolarHBondContact CE-OE1 3.2Å; K308-E312 WeakPolarHBondContact O-CG 3.25Å; K308-E312 PolarHBondContact O-N 3.1Å
309A93.9Very high93Very high40 Ų4076.7 Ų76.733%0.33140%0.395SS..Hα-helixtrans-63.3-38.7177.800000112.4K305 E306 L307 K313K305-A309 WeakPolarHBondContact O-CB 3.35Å; K305-A309 PolarHBondContact O-N 2.68Å; K305-A309 VanDerWaalsContact O-N 3.1Å; E306-A309 PolarHBondContact O-N 3.15Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.15Å; A309-K313 WeakPolarHBondContact O-CG 3.43Å; A309-K313 PolarHBondContact O-N 3.26Å
310M94Very high92.5Very high12 Ų1281.2 Ų81.26%0.05942%0.415CS..Hα-helixtrans-65.6-46.1175.1-174-154.9-60.300111.7A277 E282 A285 F289 E306 L307 K308 E312 K313 L314A277-M310 HydrophobicContact CB-CB 4.44Å; A277-M310 HydrophobicContact CB-CE 3.33Å; A277-M310 HydrophobicContact CB-CG 4.22Å; A277-M310 HydrophobicContact CB-SD 4.49Å; E282-M310 HydrophobicContact CB-SD 4.26Å; E282-M310 HydrophobicContact CG-SD 3.94Å; A285-M310 HydrophobicContact CB-CE 3.25Å; A285-M310 HydrophobicContact CB-SD 4.38Å; F289-M310 HydrophobicContact CE2-CE 4.04Å; E306-M310 PolarHBondContact O-N 3.49Å; L307-M310 HydrophobicContact CD2-CE 4.44Å; L307-M310 WeakPolarHBondContact O-CB 3.33Å; L307-M310 PolarHBondContact O-N 3.37Å; K308-M310 VanDerWaalsContact C-N 3.33Å; K308-M310 PolarHBondContact O-N 3.29Å; M310-E312 VanDerWaalsContact C-N 3.35Å; M310-E312 PolarHBondContact O-N 3.31Å; M310-K313 WeakPolarHBondContact O-CB 3.32Å; M310-K313 PolarHBondContact O-N 3.28Å; M310-L314 PolarHBondContact O-N 3.02Å
311E92.4Very high92Very high89 Ų8979.6 Ų79.642%0.41641%0.407SS..Hα-helixtrans-62.3-40.8179.1-72.8174.6174.200112.2R286 L307 K308 L314 R315R286-E311 IonicContact CZ-OE1 2.81Å; R286-E311 IonicContact NH1-OE1 3Å; R286-E311 PolarHBondContact NH1-OE1 2.99Å; R286-E311 IonicContact NH2-OE1 2.77Å; R286-E311 PolarHBondContact NH2-OE1 3.23Å; L307-E311 WeakPolarHBondContact O-CG 3.28Å; L307-E311 PolarHBondContact O-N 3.36Å; K308-E311 PolarHBondContact O-N 2.95Å; E311-L314 PolarHBondContact O-N 3.22Å; E311-R315 WeakPolarHBondContact O-CB 3.48Å; E311-R315 PolarHBondContact O-N 2.81Å
312E92.5Very high91.4Very high90 Ų9082.7 Ų82.742%0.42141%0.406SS..Hα-helixtrans-62.3-44.1175.1-75.5175.3-178.600111.9K308 M310 R315 S316K308-E312 WeakPolarHBondContact CE-OE1 3.2Å; K308-E312 WeakPolarHBondContact O-CG 3.25Å; K308-E312 PolarHBondContact O-N 3.1Å; M310-E312 VanDerWaalsContact C-N 3.35Å; M310-E312 PolarHBondContact O-N 3.31Å; E312-R315 PolarHBondContact O-N 2.93Å; E312-S316 PolarHBondContact O-N 3.35Å
313K90.3Very high90.7Very high119 Ų11982.3 Ų82.352%0.51741%0.411SS..Hα-helixtrans-61.4-44.3174.9-78.1-177.8179.6-177.40111.7W280 A309 M310 S316 K317W280-K313 HydrophobicContact CH2-CB 3.81Å; W280-K313 HydrophobicContact CZ3-CB 3.82Å; A309-K313 WeakPolarHBondContact O-CG 3.43Å; A309-K313 PolarHBondContact O-N 3.26Å; M310-K313 WeakPolarHBondContact O-CB 3.32Å; M310-K313 PolarHBondContact O-N 3.28Å; K313-S316 PolarHBondContact O-N 2.92Å; K313-K317 PolarHBondContact O-N 2.9Å
314L88.3Confident89.9Confident46 Ų4690.1 Ų90.124%0.24144%0.44CS..Hα-helixtrans-63.8-45.2179.4-174.966.3000111.5E282 M310 E311 S316 K317 Q318E282-L314 VanDerWaalsContact OE2-CD2 3.3Å; E282-L314 WeakPolarHBondContact OE2-CD2 3.44Å; M310-L314 PolarHBondContact O-N 3.02Å; E311-L314 PolarHBondContact O-N 3.22Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 3.35Å; L314-K317 PolarHBondContact O-N 3.49Å; L314-Q318 WeakPolarHBondContact O-CG 3.44Å; L314-Q318 PolarHBondContact O-N 3.3Å
315R89.7Confident88.9Confident164 Ų16491.7 Ų91.762%0.61944%0.441SS*.Hα-helixtrans-61-41.8176.7-175.8-179.763.2-166.7-4.7111.9E311 E312 Q318 A319E311-R315 WeakPolarHBondContact O-CB 3.48Å; E311-R315 PolarHBondContact O-N 2.81Å; E312-R315 PolarHBondContact O-N 2.93Å; R315-Q318 PolarHBondContact O-N 2.88Å; R315-A319 WeakPolarHBondContact O-CB 3.46Å; R315-A319 PolarHBondContact O-N 3.45Å
316S89.3Confident87.9Confident78 Ų7890.8 Ų90.855%0.54544%0.437SS..Hα-helixtrans-60.9-46176.5-169.10000111.4E312 K313 L314 A319 E320E312-S316 PolarHBondContact O-N 3.35Å; K313-S316 PolarHBondContact O-N 2.92Å; L314-S316 VanDerWaalsContact C-N 3.33Å; L314-S316 PolarHBondContact O-N 3.35Å; S316-A319 PolarHBondContact O-N 2.95Å; S316-E320 PolarHBondContact O-N 3.21Å
317K86.4Confident86.4Confident80 Ų8091.2 Ų91.235%0.34845%0.453SS..Hα-helixtrans-63.1-45.1178-174.2-179.8178.8-177.60112.2W280 K313 L314 A319 E320 E321W280-K317 HydrophobicContact CE3-CD 4.34Å; W280-K317 HydrophobicContact CH2-CB 4.46Å; W280-K317 HydrophobicContact CH2-CD 4.25Å; W280-K317 HydrophobicContact CZ3-CB 4.47Å; W280-K317 HydrophobicContact CZ3-CD 4.16Å; K313-K317 PolarHBondContact O-N 2.9Å; L314-K317 PolarHBondContact O-N 3.49Å; K317-A319 VanDerWaalsContact C-N 3.31Å; K317-A319 PolarHBondContact O-N 3.14Å; K317-E320 WeakPolarHBondContact O-CB 3.42Å; K317-E320 PolarHBondContact O-N 2.94Å; K317-E321 WeakPolarHBondContact CE-OE1 3.37Å; K317-E321 WeakPolarHBondContact O-CG 3.49Å; K317-E321 PolarHBondContact O-N 3.11Å
318Q87.1Confident85Confident109 Ų10995.8 Ų95.851%0.50948%0.477SS..Hα-helixtrans-62.6-38176.5-72.5176.1-4.200112.3L314 R315 K322L314-Q318 WeakPolarHBondContact O-CG 3.44Å; L314-Q318 PolarHBondContact O-N 3.3Å; R315-Q318 PolarHBondContact O-N 2.88Å; Q318-K322 VanDerWaalsContact O-CB 3.24Å; Q318-K322 WeakPolarHBondContact O-CB 3.17Å; Q318-K322 PolarHBondContact O-N 3.37Å
319A88Confident83.3Confident62 Ų6297.8 Ų97.851%0.51249%0.486SS..Hα-helixtrans-65.9-41.9175.900000111.8R315 S316 K317 K322 G323R315-A319 WeakPolarHBondContact O-CB 3.46Å; R315-A319 PolarHBondContact O-N 3.45Å; S316-A319 PolarHBondContact O-N 2.95Å; K317-A319 VanDerWaalsContact C-N 3.31Å; K317-A319 PolarHBondContact O-N 3.14Å; A319-K322 PolarHBondContact O-N 3.48Å; A319-G323 PolarHBondContact O-N 3Å
320E86.7Confident81.6Confident140 Ų140102.3 Ų102.365%0.65451%0.505SS*.Hα-helixtrans-61.9-50.2174.4-174-172.9163.500111.5S316 K317 K322 G323 R324S316-E320 PolarHBondContact O-N 3.21Å; K317-E320 WeakPolarHBondContact O-CB 3.42Å; K317-E320 PolarHBondContact O-N 2.94Å; E320-K322 VanDerWaalsContact C-N 3.34Å; E320-K322 PolarHBondContact O-N 3.02Å; E320-G323 WeakPolarHBondContact O-CA 3.36Å; E320-G323 PolarHBondContact O-N 2.77Å; E320-G323 VanDerWaalsContact O-N 3.11Å; E320-R324 PolarHBondContact O-N 2.94Å
321E85.4Confident79.6Confident79 Ų79111.1 Ų111.137%0.36954%0.543SS..Hα-helixtrans-58.5-46.4177.5-74.7177.617100110.9K317 G323 R324 Y325K317-E321 WeakPolarHBondContact CE-OE1 3.37Å; K317-E321 WeakPolarHBondContact O-CG 3.49Å; K317-E321 PolarHBondContact O-N 3.11Å; E321-G323 VanDerWaalsContact C-N 3.29Å; E321-G323 PolarHBondContact O-N 3.33Å; E321-R324 WeakPolarHBondContact O-CB 3.48Å; E321-R324 PolarHBondContact O-N 3.23Å; E321-R324 VanDerWaalsContact O-N 3.14Å; E321-Y325 HydrophobicContact CB-CD2 4.37Å; E321-Y325 HydrophobicContact CB-CE2 4.21Å; E321-Y325 WeakPolarHBondContact O-CD2 3.32Å; E321-Y325 PolarHBondContact O-N 3.4Å
322K83.7Confident77.5Confident145 Ų145115.9 Ų115.963%0.6356%0.562SS**Hα-helixtrans-60.9-37.4176.4-171.9175.1-176.5175.50112.3Q318 A319 E320 K326Q318-K322 VanDerWaalsContact O-CB 3.24Å; Q318-K322 WeakPolarHBondContact O-CB 3.17Å; Q318-K322 PolarHBondContact O-N 3.37Å; A319-K322 PolarHBondContact O-N 3.48Å; E320-K322 VanDerWaalsContact C-N 3.34Å; E320-K322 PolarHBondContact O-N 3.02Å; K322-K326 WeakPolarHBondContact O-CG 3.45Å; K322-K326 PolarHBondContact O-N 3.46Å; K322-K326 VanDerWaalsContact O-N 3.1Å
323G81.6Confident75.5Confident45 Ų45116 Ų11646%0.46458%0.579SS.*Hα-helixtrans-64.4-45172.900000112.3A319 E320 E321 K326A319-G323 PolarHBondContact O-N 3Å; E320-G323 WeakPolarHBondContact O-CA 3.36Å; E320-G323 PolarHBondContact O-N 2.77Å; E320-G323 VanDerWaalsContact O-N 3.11Å; E321-G323 VanDerWaalsContact C-N 3.29Å; E321-G323 PolarHBondContact O-N 3.33Å; G323-K326 PolarHBondContact O-N 3.23Å
324R78.8Confident73.5Confident163 Ų163117.8 Ų117.862%0.61559%0.592SS**Hα-helixtrans-62.3-43.4177.7-166.7-179.875.1158.63.3112.1E320 E321 G327E320-R324 PolarHBondContact O-N 2.94Å; E321-R324 WeakPolarHBondContact O-CB 3.48Å; E321-R324 PolarHBondContact O-N 3.23Å; E321-R324 VanDerWaalsContact O-N 3.14Å; R324-G327 PolarHBondContact O-N 3.26Å
325Y75.4Confident71.6Confident109 Ų109120.4 Ų120.443%0.42761%0.613SS.*Hα-helixtrans-73-29.4179.5-71.3-65.6000113E321 G327 L328 F329E321-Y325 HydrophobicContact CB-CD2 4.37Å; E321-Y325 HydrophobicContact CB-CE2 4.21Å; E321-Y325 WeakPolarHBondContact O-CD2 3.32Å; E321-Y325 PolarHBondContact O-N 3.4Å; Y325-G327 VanDerWaalsContact C-N 3.28Å; Y325-G327 PolarHBondContact O-N 3.4Å; Y325-L328 HydrophobicContact CD1-CD2 4.47Å; Y325-L328 WeakPolarHBondContact O-CB 3.26Å; Y325-L328 PolarHBondContact O-N 2.59Å; Y325-F329 WeakPolarHBondContact O-CD2 3.5Å; Y325-F329 PolarHBondContact O-N 3.48Å
326K75.4Confident69.6Low137 Ų137117.6 Ų117.660%0.59662%0.624SS**Hα-helixtrans-56.4-41.6173.1-87.1-179.8173.6-171.90112.4K322 G323 L328 F329K322-K326 WeakPolarHBondContact O-CG 3.45Å; K322-K326 PolarHBondContact O-N 3.46Å; K322-K326 VanDerWaalsContact O-N 3.1Å; G323-K326 PolarHBondContact O-N 3.23Å; K326-L328 PolarHBondContact O-N 3.04Å; K326-F329 PolarHBondContact O-N 3.16Å
327G64.2Low67.5Low52 Ų52120 Ų12054%0.53664%0.635SS.*Hα-helixtrans-68.9-19.4176.700000114.6R324 Y325R324-G327 PolarHBondContact O-N 3.26Å; Y325-G327 VanDerWaalsContact C-N 3.28Å; Y325-G327 PolarHBondContact O-N 3.4Å
328L65.6Low65.7Low124 Ų124120.5 Ų120.565%0.64966%0.655SS**Hα-helixtrans-81.2-25.3179.2-145.279.8000112.6Y325 K326Y325-L328 HydrophobicContact CD1-CD2 4.47Å; Y325-L328 WeakPolarHBondContact O-CB 3.26Å; Y325-L328 PolarHBondContact O-N 2.59Å; K326-L328 PolarHBondContact O-N 3.04Å
329F61.8Low63.5Low170 Ų170122.1 Ų122.175%0.74667%0.672SS**Hα-helixtrans-97-6.1-180-68.2-74.5000114Y325 K326 F331Y325-F329 WeakPolarHBondContact O-CD2 3.5Å; Y325-F329 PolarHBondContact O-N 3.48Å; K326-F329 PolarHBondContact O-N 3.16Å; F329-F331 VanDerWaalsContact C-N 3.32Å
330D57.5Low61.4Low135 Ų135125.5 Ų125.572%0.72269%0.687SS**  trans-84.83.9177-90-20.3000114.1K332D330-K332 VanDerWaalsContact C-N 3.25Å; D330-K332 PolarHBondContact O-N 3.21Å
331F51Low59.1Low198 Ų198126.1 Ų126.187%0.86873%0.731SS**SBendtrans-70.885.7166.8-111.7-87.4000109.5F329 A333F329-F331 VanDerWaalsContact C-N 3.32Å; F331-A333 PolarHBondContact O-N 3.3Å
332K48.2Very low57.8Low188 Ų188128.5 Ų128.582%0.81775%0.749SS**  trans-45.3129.3177.6-93.2174.2173173.30112.5D330 I334D330-K332 VanDerWaalsContact C-N 3.25Å; D330-K332 PolarHBondContact O-N 3.21Å; K332-I334 PolarHBondContact O-N 2.8Å
333A51.5Low56.4Low94 Ų94127.6 Ų127.678%0.77776%0.755SS**  trans-41.7117.8155.200000110.5F331F331-A333 PolarHBondContact O-N 3.3Å
334I48Very low55Low155 Ų155132.2 Ų132.280%0.79577%0.772SS**  trans-66.5123.1166.9-61.1169.4000105.9K332 A336K332-I334 PolarHBondContact O-N 2.8Å; I334-A336 PolarHBondContact O-N 2.99Å
335P48.7Very low53.7Low102 Ų102130.4 Ų130.466%0.66278%0.781SS**  trans-67.1122.6175.510.8-2.7000108T337P335-T337 VanDerWaalsContact C-N 3.34Å; P335-T337 PolarHBondContact O-N 3.12Å
336A47.8Very low52.3Low104 Ų104131.8 Ų131.886%0.8680%0.803SS**  trans-5998.5170.300000108.3I334I334-A336 PolarHBondContact O-N 2.99Å
337T45.7Very low50.8Low128 Ų128131.4 Ų131.479%0.78582%0.817SS**  trans-81.1121.8171.721.40000107.6P335P335-T337 VanDerWaalsContact C-N 3.34Å; P335-T337 PolarHBondContact O-N 3.12Å
338A48.4Very low49.8Very low91 Ų91137.1 Ų137.175%0.75284%0.837SS**  trans-56.9144.1179.100000112.1
339T39.6Very low48.6Very low143 Ų143138.1 Ų138.188%0.87785%0.851SS**  trans-124.9101160.5-41.90000107.7
340T44.5Very low47.5Very low133 Ų133135.4 Ų135.482%0.81686%0.86SS**  trans-101.4135164.5450000108.3
341G39Very low46.6Very low154 Ų154135.5 Ų135.5100%1.58887%0.873SS**  trans1090162.100000114.3

Retrieved 341 of 341 residues in 408.6 ms (Link to these results)

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