G4VA64_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession G4VA64, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 822 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
1M33.3Very low59.4Low242 Ų242112.9 Ų112.9100%1.19263%0.628SS**  0108.50-76.7176165.900108.3
2S34.8Very low62.4Low113 Ų113106.8 Ų106.879%0.7960%0.597SS**  trans-160.7164.8178.750.30000110.2
3C37.2Very low64.9Low118 Ų11899 Ų9980%0.79755%0.554SS**  trans55.662.4178-61.10000116A5C3-A5 PolarHBondContact O-N 2.92Å; C3-A5 VanDerWaalsContact O-N 3.09Å
4Q54.6Low67.2Low129 Ų12999.2 Ų99.260%0.60355%0.553SS**  trans-57.6110.9134.9-83.1-173.8-12.700106.4F6 F63Q4-F6 PolarHBondContact O-N 2.83Å; Q4-F63 PolarHBondContact NE2-O 3.02Å
5A49.2Very low69.2Low81 Ų8198.7 Ų98.767%0.66955%0.547SS*.  trans-70.783.1175.600000108.9C3 S7C3-A5 PolarHBondContact O-N 2.92Å; C3-A5 VanDerWaalsContact O-N 3.09Å; A5-S7 PolarHBondContact O-N 3.03Å
6F56.9Low70.9Confident113 Ų11393.7 Ų93.750%0.49652%0.523SS..  trans-55.3113.4172.4-127.4-62.2000107.1Q4 I10 N138Q4-F6 PolarHBondContact O-N 2.83Å; F6-I10 HydrophobicContact CD1-CB 4.02Å; F6-I10 HydrophobicContact CD1-CD1 3.78Å; F6-I10 HydrophobicContact CD1-CG1 4.01Å; F6-I10 HydrophobicContact CE1-CB 4.04Å; F6-I10 HydrophobicContact CE1-CD1 3.38Å; F6-I10 HydrophobicContact CE1-CG1 3.56Å; F6-I10 HydrophobicContact CZ-CD1 3.95Å; F6-I10 HydrophobicContact CZ-CG1 4.45Å; F6-N138 WeakPolarHBondContact CD1-ND2 3.36Å; F6-N138 HydrophobicContact CE1-CB 4.29Å; F6-N138 WeakPolarHBondContact CE1-ND2 3.36Å
7S61.6Low72.5Confident28 Ų2891.3 Ų91.320%0.19650%0.504CS..  trans-66.3155.3-170.582.10000109.4A5 N9 I10 N138A5-S7 PolarHBondContact O-N 3.03Å; S7-N9 PolarHBondContact O-N 2.87Å; S7-N9 PolarHBondContact OG-N 3.16Å; S7-I10 PolarHBondContact O-N 3.31Å; S7-N138 VanDerWaalsContact CB-OD1 3.26Å; S7-N138 WeakPolarHBondContact CB-OD1 3.32Å; S7-N138 PolarHBondContact N-OD1 2.98Å; S7-N138 PolarHBondContact OG-OD1 3.14Å
8K65Low73.9Confident209 Ų20992.9 Ų92.991%0.90951%0.505SS*.THydrogen-bonded Turntrans-57.5-11.4172.1-64.1-171.3176.8-173.10112.7
9N77.7Confident75.1Confident114 Ų11490.4 Ų90.461%0.6149%0.491SS*.THydrogen-bonded Turntrans-110.247.4-177.9-55.6-8.1000110.9S7 G11 P12S7-N9 PolarHBondContact O-N 2.87Å; S7-N9 PolarHBondContact OG-N 3.16Å; N9-G11 PolarHBondContact O-N 2.93Å; N9-P12 WeakPolarHBondContact O-CD 3.28Å
10I90.1Very high76.3Confident65 Ų6586.8 Ų86.833%0.33347%0.471SS..  trans-59.6-27.1171.8177168.2000113.3F6 S7 A13 L14F6-I10 HydrophobicContact CD1-CB 4.02Å; F6-I10 HydrophobicContact CD1-CD1 3.78Å; F6-I10 HydrophobicContact CD1-CG1 4.01Å; F6-I10 HydrophobicContact CE1-CB 4.04Å; F6-I10 HydrophobicContact CE1-CD1 3.38Å; F6-I10 HydrophobicContact CE1-CG1 3.56Å; F6-I10 HydrophobicContact CZ-CD1 3.95Å; F6-I10 HydrophobicContact CZ-CG1 4.45Å; S7-I10 PolarHBondContact O-N 3.31Å; I10-A13 WeakPolarHBondContact O-CB 3.46Å; I10-A13 PolarHBondContact O-N 2.9Å; I10-L14 HydrophobicContact CD1-CD1 3.92Å; I10-L14 HydrophobicContact CD1-CD2 4.5Å; I10-L14 HydrophobicContact CD1-CG 4.17Å; I10-L14 HydrophobicContact CG1-CD1 3.75Å; I10-L14 HydrophobicContact CG1-CG 3.8Å; I10-L14 PolarHBondContact O-N 3.16Å
11G93.3Very high77.3Confident30 Ų3086 Ų8631%0.30947%0.466SS..Hα-helixtrans-47.6-56-172.500000115.6N9 A13 L14 I15N9-G11 PolarHBondContact O-N 2.93Å; G11-A13 VanDerWaalsContact C-N 3.26Å; G11-A13 PolarHBondContact O-N 3.46Å; G11-L14 PolarHBondContact O-N 3.38Å; G11-L14 VanDerWaalsContact O-N 3.11Å; G11-I15 WeakPolarHBondContact O-CG1 3.29Å; G11-I15 PolarHBondContact O-N 3.39Å
12P95.4Very high80.4Confident40 Ų4078.9 Ų78.926%0.2643%0.428SS..Hα-helixtrans-55.8-36.2178.6-28.136.6000114N9 I15 A16 P135 W136N9-P12 WeakPolarHBondContact O-CD 3.28Å; P12-I15 PolarHBondContact O-N 3.47Å; P12-A16 WeakPolarHBondContact O-CB 3.47Å; P12-A16 PolarHBondContact O-N 2.99Å; P12-P135 HydrophobicContact CB-CB 4.18Å; P12-P135 HydrophobicContact CG-CB 4.42Å; P12-W136 HydrophobicContact CB-CD2 4.37Å; P12-W136 HydrophobicContact CB-CE3 3.88Å; P12-W136 HydrophobicContact CB-CZ3 4.12Å
13A95.1Very high83.4Confident5 Ų574.1 Ų74.14%0.04139%0.394CS..Hα-helixtrans-68.8-43.7176.500000111.8I10 G11 I15 A16 W17 P135 W136 N138I10-A13 WeakPolarHBondContact O-CB 3.46Å; I10-A13 PolarHBondContact O-N 2.9Å; G11-A13 VanDerWaalsContact C-N 3.26Å; G11-A13 PolarHBondContact O-N 3.46Å; A13-I15 VanDerWaalsContact C-N 3.31Å; A13-I15 PolarHBondContact O-N 2.85Å; A13-A16 PolarHBondContact O-N 3.19Å; A13-W17 VanDerWaalsContact O-CD1 3.25Å; A13-W17 PolarHBondContact O-N 2.96Å; A13-P135 PolarHBondContact N-O 3.18Å; A13-W136 WeakPolarHBondContact CA-O 3.2Å; A13-N138 HydrophobicContact CB-CB 3.86Å
14L96.4Very high86.3Confident102 Ų10268.9 Ų68.953%0.53436%0.358SS..Hα-helixtrans-62-39.2174.5-69173.5000112I10 G11 W17 F18I10-L14 HydrophobicContact CD1-CD1 3.92Å; I10-L14 HydrophobicContact CD1-CD2 4.5Å; I10-L14 HydrophobicContact CD1-CG 4.17Å; I10-L14 HydrophobicContact CG1-CD1 3.75Å; I10-L14 HydrophobicContact CG1-CG 3.8Å; I10-L14 PolarHBondContact O-N 3.16Å; G11-L14 PolarHBondContact O-N 3.38Å; G11-L14 VanDerWaalsContact O-N 3.11Å; L14-W17 PolarHBondContact O-N 3.39Å; L14-F18 VanDerWaalsContact O-CB 3.29Å; L14-F18 WeakPolarHBondContact O-CB 3.36Å; L14-F18 PolarHBondContact O-N 2.63Å
15I96.8Very high88.4Confident91 Ų9165.9 Ų65.947%0.46735%0.349SS..Hα-helixtrans-62.9-43.5174.9-68.1164.6000110.6G11 P12 A13 F18 L19 W136G11-I15 WeakPolarHBondContact O-CG1 3.29Å; G11-I15 PolarHBondContact O-N 3.39Å; P12-I15 PolarHBondContact O-N 3.47Å; A13-I15 VanDerWaalsContact C-N 3.31Å; A13-I15 PolarHBondContact O-N 2.85Å; I15-F18 PolarHBondContact O-N 2.83Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.26Å; I15-L19 WeakPolarHBondContact O-CB 3.46Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.24Å; I15-L19 PolarHBondContact O-N 3.47Å; I15-W136 HydrophobicContact CG2-CZ3 4.43Å
16A97.1Very high90.7Very high19 Ų1963.8 Ų63.816%0.15733%0.326CS..Hα-helixtrans-64.7-44.4176.700000112.6P12 A13 L20 F58 W136P12-A16 WeakPolarHBondContact O-CB 3.47Å; P12-A16 PolarHBondContact O-N 2.99Å; A13-A16 PolarHBondContact O-N 3.19Å; A16-L20 VanDerWaalsContact O-CB 3.26Å; A16-L20 WeakPolarHBondContact O-CB 3.3Å; A16-L20 PolarHBondContact O-N 3.42Å; A16-F58 HydrophobicContact CB-CZ 3.75Å; A16-W136 HydrophobicContact CB-CB 4.3Å; A16-W136 HydrophobicContact CB-CE3 4.21Å
17W98Very high92.7Very high53 Ų5358.4 Ų58.420%0.20130%0.302CS..Hα-helixtrans-59.4-45.6173-85.699.9000112A13 L14 I21 V55 F58 T62 F63A13-W17 VanDerWaalsContact O-CD1 3.25Å; A13-W17 PolarHBondContact O-N 2.96Å; L14-W17 PolarHBondContact O-N 3.39Å; W17-I21 HydrophobicContact CE3-CD1 3.91Å; W17-I21 HydrophobicContact CZ3-CD1 4.39Å; W17-I21 WeakPolarHBondContact O-CB 3.05Å; W17-I21 WeakPolarHBondContact O-CG1 3.48Å; W17-I21 PolarHBondContact O-N 2.82Å; W17-I21 VanDerWaalsContact O-N 3.14Å; W17-V55 HydrophobicContact CZ3-CG1 4.06Å; W17-F58 HydrophobicContact CB-CE1 4.39Å; W17-F58 AromaticContact CD1-CE1 3.61Å; W17-F58 AromaticContact CD2-CD1 3.77Å; W17-F58 HydrophobicContact CD2-CD1 3.77Å; W17-F58 AromaticContact CD2-CE1 3.51Å; W17-F58 HydrophobicContact CD2-CE1 3.51Å; W17-F58 AromaticContact CE2-CD1 3.56Å; W17-F58 AromaticContact CE2-CE1 3.44Å; W17-F58 VanDerWaalsContact CE2-CE1 3.44Å; W17-F58 HydrophobicContact CE3-CD1 4.02Å; W17-F58 HydrophobicContact CE3-CE1 4.15Å; W17-F58 HydrophobicContact CG-CD1 4.37Å; W17-F58 AromaticContact CG-CE1 3.62Å; W17-F58 HydrophobicContact CG-CE1 3.62Å; W17-F58 AromaticContact CH2-CD1 3.93Å; W17-F58 HydrophobicContact CH2-CD1 3.93Å; W17-F58 AromaticContact CZ2-CD1 3.65Å; W17-F58 HydrophobicContact CZ2-CD1 3.65Å; W17-F58 HydrophobicContact CZ2-CE1 4.03Å; W17-F58 HydrophobicContact CZ3-CD1 4.11Å; W17-F58 AromaticContact NE1-CE1 3.47Å; W17-T62 HydrophobicContact CZ2-CG2 4.5Å; W17-F63 HydrophobicContact CH2-CE2 4.22Å; W17-F63 AromaticContact CZ2-CE2 3.65Å; W17-F63 HydrophobicContact CZ2-CE2 3.65Å; W17-F63 HydrophobicContact CZ2-CZ 4.05Å
18F97.9Very high94.4Very high120 Ų12058 Ų5853%0.52630%0.298SS..Hα-helixtrans-62.6-53.2177.9177.3-99000111.7L14 I15 L20 I21 F22L14-F18 VanDerWaalsContact O-CB 3.29Å; L14-F18 WeakPolarHBondContact O-CB 3.36Å; L14-F18 PolarHBondContact O-N 2.63Å; I15-F18 PolarHBondContact O-N 2.83Å; F18-L20 PolarHBondContact O-N 2.79Å; F18-I21 PolarHBondContact O-N 2.85Å; F18-F22 HydrophobicContact CD1-CB 4.48Å; F18-F22 HydrophobicContact CD2-CB 4.37Å; F18-F22 HydrophobicContact CE1-CB 4.17Å; F18-F22 HydrophobicContact CE1-CD1 4.05Å; F18-F22 HydrophobicContact CE1-CG 4.13Å; F18-F22 HydrophobicContact CE2-CB 4.05Å; F18-F22 HydrophobicContact CE2-CD2 4.27Å; F18-F22 HydrophobicContact CE2-CG 4.14Å; F18-F22 HydrophobicContact CZ-CB 3.94Å; F18-F22 AromaticContact CZ-CD1 3.94Å; F18-F22 HydrophobicContact CZ-CD1 3.94Å; F18-F22 HydrophobicContact CZ-CD2 4.03Å; F18-F22 HydrophobicContact CZ-CE1 4.44Å; F18-F22 AromaticContact CZ-CG 3.7Å; F18-F22 HydrophobicContact CZ-CG 3.7Å; F18-F22 WeakPolarHBondContact O-CB 3.48Å; F18-F22 PolarHBondContact O-N 3.49Å
19L97.3Very high96Very high46 Ų4651.7 Ų51.724%0.24128%0.277CS..Hα-helixtrans-60.5-43.2-178.9-70.9172.8000112I15 L23I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.26Å; I15-L19 WeakPolarHBondContact O-CB 3.46Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.24Å; I15-L19 PolarHBondContact O-N 3.47Å; L19-L23 HydrophobicContact CB-CD1 4.45Å; L19-L23 HydrophobicContact CD2-CD1 4.23Å; L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.16Å; L19-L23 PolarHBondContact O-N 3.28Å
20L98Very high96.9Very high17 Ų1749.2 Ų49.29%0.08926%0.261CS..Hα-helixtrans-60-48.6178.2174.559.3000112A16 F18 T24 F51 V54 V55 F58 F152 L156A16-L20 VanDerWaalsContact O-CB 3.26Å; A16-L20 WeakPolarHBondContact O-CB 3.3Å; A16-L20 PolarHBondContact O-N 3.42Å; F18-L20 PolarHBondContact O-N 2.79Å; L20-T24 VanDerWaalsContact O-CB 3.32Å; L20-T24 WeakPolarHBondContact O-CB 3.39Å; L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 PolarHBondContact O-OG1 3.09Å; L20-F51 HydrophobicContact CD1-CE2 4.46Å; L20-F51 HydrophobicContact CG-CE2 4.43Å; L20-V54 HydrophobicContact CD1-CG1 3.85Å; L20-V54 HydrophobicContact CD2-CG1 4.37Å; L20-V55 HydrophobicContact CD2-CG2 4.18Å; L20-V55 HydrophobicContact CG-CG2 4.45Å; L20-F58 HydrophobicContact CD2-CB 4.13Å; L20-F58 HydrophobicContact CD2-CD1 3.64Å; L20-F58 HydrophobicContact CD2-CE1 4.23Å; L20-F58 HydrophobicContact CD2-CG 3.96Å; L20-F152 HydrophobicContact CD2-CE2 4.37Å; L20-L156 HydrophobicContact CD1-CD1 3.91Å
21I98.2Very high97.2Very high71 Ų7146.1 Ų46.136%0.36425%0.245SC..Hα-helixtrans-74.9-53-177-66174000110.6W17 F18 L23 T24 V25 F51W17-I21 HydrophobicContact CE3-CD1 3.91Å; W17-I21 HydrophobicContact CZ3-CD1 4.39Å; W17-I21 WeakPolarHBondContact O-CB 3.05Å; W17-I21 WeakPolarHBondContact O-CG1 3.48Å; W17-I21 PolarHBondContact O-N 2.82Å; W17-I21 VanDerWaalsContact O-N 3.14Å; F18-I21 PolarHBondContact O-N 2.85Å; I21-L23 PolarHBondContact O-N 2.9Å; I21-T24 PolarHBondContact O-N 3.43Å; I21-V25 HydrophobicContact CG2-CG2 4.13Å; I21-V25 WeakPolarHBondContact O-CB 3.47Å; I21-V25 VanDerWaalsContact O-CG2 3.28Å; I21-V25 WeakPolarHBondContact O-CG2 3.3Å; I21-V25 PolarHBondContact O-N 3.49Å; I21-F51 HydrophobicContact CG1-CZ 4.36Å
22F98Very high97.4Very high92 Ų9244.7 Ų44.740%0.40423%0.23SC..Hα-helixtrans-59.7-49.7-173.9179.6-109.7000112.2F18 T24 V25 L26F18-F22 HydrophobicContact CD1-CB 4.48Å; F18-F22 HydrophobicContact CD2-CB 4.37Å; F18-F22 HydrophobicContact CE1-CB 4.17Å; F18-F22 HydrophobicContact CE1-CD1 4.05Å; F18-F22 HydrophobicContact CE1-CG 4.13Å; F18-F22 HydrophobicContact CE2-CB 4.05Å; F18-F22 HydrophobicContact CE2-CD2 4.27Å; F18-F22 HydrophobicContact CE2-CG 4.14Å; F18-F22 HydrophobicContact CZ-CB 3.94Å; F18-F22 AromaticContact CZ-CD1 3.94Å; F18-F22 HydrophobicContact CZ-CD1 3.94Å; F18-F22 HydrophobicContact CZ-CD2 4.03Å; F18-F22 HydrophobicContact CZ-CE1 4.44Å; F18-F22 AromaticContact CZ-CG 3.7Å; F18-F22 HydrophobicContact CZ-CG 3.7Å; F18-F22 WeakPolarHBondContact O-CB 3.48Å; F18-F22 PolarHBondContact O-N 3.49Å; F22-T24 VanDerWaalsContact C-N 3.34Å; F22-T24 PolarHBondContact O-N 2.94Å; F22-V25 PolarHBondContact O-N 3.42Å; F22-L26 HydrophobicContact CD1-CD1 4.14Å; F22-L26 HydrophobicContact CE1-CD1 3.58Å; F22-L26 HydrophobicContact CE1-CG 4.32Å; F22-L26 HydrophobicContact CE2-CD1 4.36Å; F22-L26 HydrophobicContact CE2-CD2 4.44Å; F22-L26 HydrophobicContact CE2-CG 4.34Å; F22-L26 HydrophobicContact CZ-CD1 3.71Å; F22-L26 HydrophobicContact CZ-CD2 4.4Å; F22-L26 HydrophobicContact CZ-CG 4.18Å; F22-L26 WeakPolarHBondContact O-CG 3.34Å; F22-L26 PolarHBondContact O-N 3.3Å
23L97.9Very high97.5Very high14 Ų1448.4 Ų48.47%0.07324%0.239CC..Hα-helixtrans-68.2-35.3-178.6-57.5178.2000111.9L19 I21 Y27 L192 L196L19-L23 HydrophobicContact CB-CD1 4.45Å; L19-L23 HydrophobicContact CD2-CD1 4.23Å; L19-L23 VanDerWaalsContact O-CB 3.29Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.16Å; L19-L23 PolarHBondContact O-N 3.28Å; I21-L23 PolarHBondContact O-N 2.9Å; L23-Y27 WeakPolarHBondContact O-CB 3.38Å; L23-Y27 PolarHBondContact O-N 2.84Å; L23-L192 HydrophobicContact CD1-CD2 3.91Å; L23-L192 HydrophobicContact CD1-CG 3.87Å; L23-L192 HydrophobicContact CD2-CD2 3.59Å; L23-L192 HydrophobicContact CD2-CG 4.3Å; L23-L192 HydrophobicContact CG-CD2 4.38Å; L23-L196 HydrophobicContact CD1-CD1 3.86Å
24T98.2Very high97.4Very high7 Ų748.8 Ų48.84%0.04324%0.241CC..Hα-helixtrans-71.8-35.6175.2-52.30000112.1L20 I21 F22 Y27 L28 F51 H159L20-T24 VanDerWaalsContact O-CB 3.32Å; L20-T24 WeakPolarHBondContact O-CB 3.39Å; L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 PolarHBondContact O-OG1 3.09Å; I21-T24 PolarHBondContact O-N 3.43Å; F22-T24 VanDerWaalsContact C-N 3.34Å; F22-T24 PolarHBondContact O-N 2.94Å; T24-Y27 PolarHBondContact O-N 3.23Å; T24-L28 HydrophobicContact CG2-CD1 3.93Å; T24-L28 HydrophobicContact CG2-CG 4.15Å; T24-L28 WeakPolarHBondContact O-CB 3.41Å; T24-L28 VanDerWaalsContact O-CG 3.26Å; T24-L28 WeakPolarHBondContact O-CG 3.35Å; T24-L28 PolarHBondContact O-N 2.91Å; T24-F51 HydrophobicContact CG2-CB 3.97Å; T24-F51 HydrophobicContact CG2-CD1 3.97Å; T24-F51 HydrophobicContact CG2-CD2 3.37Å; T24-F51 HydrophobicContact CG2-CE1 4.28Å; T24-F51 HydrophobicContact CG2-CE2 3.72Å; T24-F51 HydrophobicContact CG2-CG 3.5Å; T24-F51 VanDerWaalsContact CG2-CG 3.5Å; T24-F51 HydrophobicContact CG2-CZ 4.16Å; T24-H159 VanDerWaalsContact CG2-CE1 3.45Å; T24-H159 WeakPolarHBondContact CG2-CE1 3.25Å; T24-H159 VanDerWaalsContact CG2-NE2 3.34Å; T24-H159 WeakPolarHBondContact CG2-NE2 3.32Å; T24-H159 PolarHBondContact OG1-NE2 3.42Å
25V97.9Very high97.3Very high66 Ų6645.2 Ų45.240%0.422%0.221SC..Hα-helixtrans-67.1-43.1174.3169.10000111I21 F22 Y27 L28 V29I21-V25 HydrophobicContact CG2-CG2 4.13Å; I21-V25 WeakPolarHBondContact O-CB 3.47Å; I21-V25 VanDerWaalsContact O-CG2 3.28Å; I21-V25 WeakPolarHBondContact O-CG2 3.3Å; I21-V25 PolarHBondContact O-N 3.49Å; F22-V25 PolarHBondContact O-N 3.42Å; V25-Y27 VanDerWaalsContact C-N 3.35Å; V25-Y27 PolarHBondContact O-N 3.48Å; V25-L28 PolarHBondContact O-N 2.88Å; V25-V29 HydrophobicContact CG1-CG2 4.16Å; V25-V29 WeakPolarHBondContact O-CB 3.44Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.47Å; V25-V29 PolarHBondContact O-N 3.46Å
26L97.7Very high97.2Very high37 Ų3740.9 Ų40.919%0.19420%0.198CC..Hα-helixtrans-57.5-48172.2-72.1-176.5000111.4F22 F30 V189F22-L26 HydrophobicContact CD1-CD1 4.14Å; F22-L26 HydrophobicContact CE1-CD1 3.58Å; F22-L26 HydrophobicContact CE1-CG 4.32Å; F22-L26 HydrophobicContact CE2-CD1 4.36Å; F22-L26 HydrophobicContact CE2-CD2 4.44Å; F22-L26 HydrophobicContact CE2-CG 4.34Å; F22-L26 HydrophobicContact CZ-CD1 3.71Å; F22-L26 HydrophobicContact CZ-CD2 4.4Å; F22-L26 HydrophobicContact CZ-CG 4.18Å; F22-L26 WeakPolarHBondContact O-CG 3.34Å; F22-L26 PolarHBondContact O-N 3.3Å; L26-F30 HydrophobicContact CD2-CD2 3.96Å; L26-F30 HydrophobicContact CD2-CE2 3.72Å; L26-F30 WeakPolarHBondContact O-CD2 3.43Å; L26-F30 PolarHBondContact O-N 3.29Å; L26-V189 HydrophobicContact CB-CG2 3.94Å; L26-V189 HydrophobicContact CD1-CG2 4.28Å
27Y98.3Very high97.1Very high0 Ų044.8 Ų44.80%021%0.212CC..Iπ-helixtrans-57.7-50.3175.1168-95.7000111.9L23 T24 V25 V29 I31 C32 H47 V163 V166L23-Y27 WeakPolarHBondContact O-CB 3.38Å; L23-Y27 PolarHBondContact O-N 2.84Å; T24-Y27 PolarHBondContact O-N 3.23Å; V25-Y27 VanDerWaalsContact C-N 3.35Å; V25-Y27 PolarHBondContact O-N 3.48Å; Y27-V29 PolarHBondContact O-N 3.18Å; Y27-I31 HydrophobicContact CD2-CB 4.02Å; Y27-I31 HydrophobicContact CD2-CD1 4.08Å; Y27-I31 HydrophobicContact CD2-CG2 4.24Å; Y27-I31 HydrophobicContact CE2-CB 4.26Å; Y27-I31 HydrophobicContact CE2-CG2 4.11Å; Y27-I31 WeakPolarHBondContact O-CA 3.31Å; Y27-I31 WeakPolarHBondContact O-CB 3.36Å; Y27-I31 PolarHBondContact O-N 3.11Å; Y27-I31 VanDerWaalsContact O-N 3.1Å; Y27-C32 HydrophobicContact CD1-CB 4.12Å; Y27-C32 HydrophobicContact CE1-CB 3.5Å; Y27-C32 HydrophobicContact CE2-CB 4.34Å; Y27-C32 PolarHBondContact O-N 3.2Å; Y27-C32 PolarHBondContact OH-SG 2.93Å; Y27-H47 HydrophobicContact CE1-CB 4.41Å; Y27-H47 AromaticContact CE1-ND1 3.49Å; Y27-H47 WeakPolarHBondContact CE1-ND1 3.47Å; Y27-H47 AromaticContact CZ-CE1 3.98Å; Y27-H47 AromaticContact CZ-ND1 3.57Å; Y27-H47 PolarHBondContact OH-CE1 2.88Å; Y27-H47 PolarHBondContact OH-ND1 3.45Å; Y27-V163 HydrophobicContact CD1-CG2 3.81Å; Y27-V163 HydrophobicContact CD2-CB 4.22Å; Y27-V163 HydrophobicContact CD2-CG1 3.72Å; Y27-V163 HydrophobicContact CD2-CG2 4.03Å; Y27-V163 HydrophobicContact CE1-CG2 4.06Å; Y27-V163 HydrophobicContact CE2-CB 4.47Å; Y27-V163 HydrophobicContact CE2-CG1 4.39Å; Y27-V163 HydrophobicContact CE2-CG2 4.26Å; Y27-V163 HydrophobicContact CG-CB 4.43Å; Y27-V163 HydrophobicContact CG-CG1 3.94Å; Y27-V163 HydrophobicContact CG-CG2 3.82Å; Y27-V166 HydrophobicContact CE2-CB 3.98Å; Y27-V166 HydrophobicContact CE2-CG1 3.9Å; Y27-V166 WeakPolarHBondContact OH-CG1 3.34Å
28L98.2Very high96.8Very high21 Ų2147.4 Ų47.411%0.1123%0.226CC..Iπ-helixtrans-63.6-43.8-176.6-74.8171.8000111.9T24 V25 C32 W33 I44 H47 F51T24-L28 HydrophobicContact CG2-CD1 3.93Å; T24-L28 HydrophobicContact CG2-CG 4.15Å; T24-L28 WeakPolarHBondContact O-CB 3.41Å; T24-L28 VanDerWaalsContact O-CG 3.26Å; T24-L28 WeakPolarHBondContact O-CG 3.35Å; T24-L28 PolarHBondContact O-N 2.91Å; V25-L28 PolarHBondContact O-N 2.88Å; L28-C32 HydrophobicContact CD2-CB 4.23Å; L28-W33 VanDerWaalsContact O-CB 3.25Å; L28-W33 WeakPolarHBondContact O-CB 3.29Å; L28-W33 PolarHBondContact O-N 2.83Å; L28-I44 HydrophobicContact CD2-CG1 4.28Å; L28-H47 HydrophobicContact CD2-CB 4.09Å; L28-F51 HydrophobicContact CD1-CD1 4.02Å
29V97.5Very high96.5Very high76 Ų7645.5 Ų45.546%0.46123%0.225SC..Iπ-helixtrans-78.8-42.6-173.5173.60000113.3V25 Y27 W33V25-V29 HydrophobicContact CG1-CG2 4.16Å; V25-V29 WeakPolarHBondContact O-CB 3.44Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.47Å; V25-V29 PolarHBondContact O-N 3.46Å; Y27-V29 PolarHBondContact O-N 3.18Å; V29-W33 WeakPolarHBondContact O-CB 3.1Å
30F96.8Very high96.5Very high61 Ų6146.3 Ų46.327%0.26823%0.234SC..Iπ-helixtrans-97.8-29.8-172.7-64.8-74.8000114L26 Y170 Y181 I185L26-F30 HydrophobicContact CD2-CD2 3.96Å; L26-F30 HydrophobicContact CD2-CE2 3.72Å; L26-F30 WeakPolarHBondContact O-CD2 3.43Å; L26-F30 PolarHBondContact O-N 3.29Å; F30-Y170 PolarHBondContact O-OH 2.96Å; F30-Y181 HydrophobicContact CD1-CE2 4.38Å; F30-Y181 HydrophobicContact CE1-CE2 4.28Å; F30-I185 HydrophobicContact CB-CG2 4.04Å; F30-I185 HydrophobicContact CD1-CD1 3.85Å; F30-I185 HydrophobicContact CD2-CD1 4.05Å; F30-I185 HydrophobicContact CD2-CG2 3.95Å; F30-I185 HydrophobicContact CE1-CD1 3.92Å; F30-I185 HydrophobicContact CE2-CD1 4.12Å; F30-I185 HydrophobicContact CG-CD1 3.92Å; F30-I185 HydrophobicContact CG-CG2 4.1Å; F30-I185 HydrophobicContact CZ-CD1 4.05Å
31I97Very high96.4Very high0 Ų052 Ų520%026%0.255CS..Iπ-helixtrans-107.9-62.6-170.8-47178.1000109.7Y27 D34 F35 V166 S167 Y170 A186 V189Y27-I31 HydrophobicContact CD2-CB 4.02Å; Y27-I31 HydrophobicContact CD2-CD1 4.08Å; Y27-I31 HydrophobicContact CD2-CG2 4.24Å; Y27-I31 HydrophobicContact CE2-CB 4.26Å; Y27-I31 HydrophobicContact CE2-CG2 4.11Å; Y27-I31 WeakPolarHBondContact O-CA 3.31Å; Y27-I31 WeakPolarHBondContact O-CB 3.36Å; Y27-I31 PolarHBondContact O-N 3.11Å; Y27-I31 VanDerWaalsContact O-N 3.1Å; I31-D34 PolarHBondContact O-N 3.45Å; I31-F35 VanDerWaalsContact O-CB 3.29Å; I31-F35 WeakPolarHBondContact O-CB 3.29Å; I31-F35 PolarHBondContact O-N 3.03Å; I31-V166 HydrophobicContact CG2-CG1 4.37Å; I31-S167 WeakPolarHBondContact CD1-OG 3.48Å; I31-Y170 HydrophobicContact CG2-CD1 4.24Å; I31-Y170 HydrophobicContact CG2-CD2 3.78Å; I31-Y170 HydrophobicContact CG2-CE2 4.33Å; I31-Y170 HydrophobicContact CG2-CG 3.71Å; I31-A186 HydrophobicContact CD1-CB 3.82Å; I31-A186 HydrophobicContact CG1-CB 4.07Å; I31-V189 HydrophobicContact CD1-CB 4.04Å; I31-V189 HydrophobicContact CD1-CG1 4.04Å; I31-V189 HydrophobicContact CD1-CG2 4.27Å
32C97.2Very high96.3Very high0 Ų051.8 Ų51.80%026%0.264CS..Iπ-helixtrans-65.4-44.5-174.6-162.50000112.8Y27 L28 D34 F35 S36Y27-C32 HydrophobicContact CD1-CB 4.12Å; Y27-C32 HydrophobicContact CE1-CB 3.5Å; Y27-C32 HydrophobicContact CE2-CB 4.34Å; Y27-C32 PolarHBondContact O-N 3.2Å; Y27-C32 PolarHBondContact OH-SG 2.93Å; L28-C32 HydrophobicContact CD2-CB 4.23Å; C32-D34 PolarHBondContact O-N 3.41Å; C32-F35 PolarHBondContact O-N 2.93Å; C32-S36 WeakPolarHBondContact O-CB 3.25Å; C32-S36 PolarHBondContact O-N 3.26Å; C32-S36 PolarHBondContact O-OG 3.48Å
33W97.3Very high96.2Very high119 Ų11949.9 Ų49.945%0.45126%0.256SS..Hα-helixtrans-57.8-47.8175.8172.5-121.9000112L28 V29 S36 K37 Y41 I44L28-W33 VanDerWaalsContact O-CB 3.25Å; L28-W33 WeakPolarHBondContact O-CB 3.29Å; L28-W33 PolarHBondContact O-N 2.83Å; V29-W33 WeakPolarHBondContact O-CB 3.1Å; W33-S36 PolarHBondContact O-N 3.1Å; W33-S36 PolarHBondContact O-OG 3.47Å; W33-K37 PolarHBondContact O-N 3.43Å; W33-Y41 HydrophobicContact CH2-CE1 4.38Å; W33-Y41 HydrophobicContact CZ3-CD1 4.34Å; W33-Y41 HydrophobicContact CZ3-CE1 4.02Å; W33-I44 HydrophobicContact CB-CD1 4.08Å; W33-I44 HydrophobicContact CE3-CD1 4.02Å
34D94.7Very high96.2Very high13 Ų1350.7 Ų50.77%0.0726%0.26CS..Hα-helixtrans-67.2-45.7-178.3-137.148.6000111I31 C32 S36 K37 Y170 R174 K182I31-D34 PolarHBondContact O-N 3.45Å; C32-D34 PolarHBondContact O-N 3.41Å; D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.99Å; D34-K37 WeakPolarHBondContact O-CB 3.48Å; D34-K37 PolarHBondContact O-N 3.38Å; D34-K37 IonicContact OD1-NZ 2.69Å; D34-K37 PolarHBondContact OD1-NZ 3.3Å; D34-Y170 HydrophobicContact CB-CE2 4.11Å; D34-Y170 PolarHBondContact OD2-OH 3.33Å; D34-R174 IonicContact OD2-CZ 3.61Å; D34-R174 IonicContact OD2-NH1 2.83Å; D34-R174 PolarHBondContact OD2-NH1 3.46Å; D34-R174 IonicContact OD2-NH2 3.39Å; D34-R174 PolarHBondContact OD2-NH2 3.17Å; D34-K182 IonicContact OD1-NZ 2.82Å; D34-K182 PolarHBondContact OD1-NZ 3.29Å; D34-K182 WeakPolarHBondContact OD2-CD 3.29Å; D34-K182 IonicContact OD2-NZ 2.79Å; D34-K182 PolarHBondContact OD2-NZ 2.83Å
35F92.8Very high96.2Very high27 Ų2754.3 Ų54.312%0.11828%0.281CS..Hα-helixtrans-62.7-33174.8-166.6-95.8000112.8I31 C32 K37 E38 T39 F43 T169 M173I31-F35 VanDerWaalsContact O-CB 3.29Å; I31-F35 WeakPolarHBondContact O-CB 3.29Å; I31-F35 PolarHBondContact O-N 3.03Å; C32-F35 PolarHBondContact O-N 2.93Å; F35-K37 VanDerWaalsContact C-N 3.28Å; F35-K37 PolarHBondContact O-N 3.49Å; F35-E38 PolarHBondContact O-N 3.39Å; F35-T39 HydrophobicContact CD1-CG2 4.11Å; F35-T39 HydrophobicContact CE1-CG2 3.76Å; F35-T39 HydrophobicContact CZ-CG2 4.07Å; F35-T39 PolarHBondContact O-N 2.97Å; F35-T39 PolarHBondContact O-OG1 3.38Å; F35-F43 AromaticContact CD1-CD1 3.94Å; F35-F43 HydrophobicContact CD1-CD1 3.94Å; F35-F43 AromaticContact CD1-CE1 3.48Å; F35-F43 HydrophobicContact CD1-CE1 3.48Å; F35-F43 VanDerWaalsContact CD1-CE1 3.48Å; F35-F43 HydrophobicContact CD1-CE2 4.39Å; F35-F43 AromaticContact CD1-CZ 3.72Å; F35-F43 HydrophobicContact CD1-CZ 3.72Å; F35-F43 AromaticContact CE1-CE1 3.97Å; F35-F43 HydrophobicContact CE1-CE1 3.97Å; F35-F43 HydrophobicContact CE1-CE2 4.09Å; F35-F43 AromaticContact CE1-CZ 3.7Å; F35-F43 HydrophobicContact CE1-CZ 3.7Å; F35-F43 HydrophobicContact CG-CE1 4.45Å; F35-T169 HydrophobicContact CE2-CG2 4.16Å; F35-M173 HydrophobicContact CE2-SD 3.91Å
36S95.8Very high96.2Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-70.8-19.2178.973.60000114.2C32 W33 D34 S40 Y41C32-S36 WeakPolarHBondContact O-CB 3.25Å; C32-S36 PolarHBondContact O-N 3.26Å; C32-S36 PolarHBondContact O-OG 3.48Å; W33-S36 PolarHBondContact O-N 3.1Å; W33-S36 PolarHBondContact O-OG 3.47Å; D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.99Å; S36-S40 CarbonylContact O-C 3.5Å; S36-S40 WeakPolarHBondContact O-CA 3.34Å; S36-S40 PolarHBondContact O-N 3.49Å; S36-Y41 PolarHBondContact O-N 3.29Å
37K95.5Very high96.2Very high101 Ų10155.2 Ų55.244%0.43928%0.279SS..Hα-helixtrans-73.9-35.4172.3-60.8165.6-167.1164.20112.2W33 D34 F35 Y41W33-K37 PolarHBondContact O-N 3.43Å; D34-K37 WeakPolarHBondContact O-CB 3.48Å; D34-K37 PolarHBondContact O-N 3.38Å; D34-K37 IonicContact OD1-NZ 2.69Å; D34-K37 PolarHBondContact OD1-NZ 3.3Å; F35-K37 VanDerWaalsContact C-N 3.28Å; F35-K37 PolarHBondContact O-N 3.49Å; K37-Y41 HydrophobicContact CG-CE1 4.49Å
38E91.4Very high96.2Very high108 Ų10857.5 Ų57.551%0.50530%0.295SS..Hα-helixtrans-81.5-24.5-179.5-68.1170.5-153.300112.4F35 R174F35-E38 PolarHBondContact O-N 3.39Å; E38-R174 IonicContact OE1-CZ 3.79Å; E38-R174 IonicContact OE1-NH2 2.63Å; E38-R174 PolarHBondContact OE1-NH2 3.47Å
39T91.3Very high96.2Very high80 Ų8061.7 Ų61.749%0.49132%0.317SS..SBendtrans-114-73.6-172.755.60000112.9F35F35-T39 HydrophobicContact CD1-CG2 4.11Å; F35-T39 HydrophobicContact CE1-CG2 3.76Å; F35-T39 HydrophobicContact CZ-CG2 4.07Å; F35-T39 PolarHBondContact O-N 2.97Å; F35-T39 PolarHBondContact O-OG1 3.38Å
40S95.9Very high96.2Very high62 Ų6259 Ų5943%0.43430%0.3SS..  trans-169.9141.7173.4-179.90000111.4S36 A42 F43S36-S40 CarbonylContact O-C 3.5Å; S36-S40 WeakPolarHBondContact O-CA 3.34Å; S36-S40 PolarHBondContact O-N 3.49Å; S40-A42 PolarHBondContact O-N 3.33Å; S40-A42 VanDerWaalsContact O-N 3.14Å; S40-A42 WeakPolarHBondContact OG-CB 3.32Å; S40-A42 PolarHBondContact OG-N 3.06Å; S40-F43 WeakPolarHBondContact O-CB 3.27Å; S40-F43 PolarHBondContact O-N 2.75Å
41Y96.9Very high96.3Very high138 Ų13857.7 Ų57.754%0.54129%0.294SS..Hα-helixtrans-61.3-19.2171-65.4-68.1000113.7W33 S36 K37 F43 I44 V45W33-Y41 HydrophobicContact CH2-CE1 4.38Å; W33-Y41 HydrophobicContact CZ3-CD1 4.34Å; W33-Y41 HydrophobicContact CZ3-CE1 4.02Å; S36-Y41 PolarHBondContact O-N 3.29Å; K37-Y41 HydrophobicContact CG-CE1 4.49Å; Y41-F43 PolarHBondContact O-N 2.93Å; Y41-I44 VanDerWaalsContact O-CG2 3.31Å; Y41-I44 WeakPolarHBondContact O-CG2 3.43Å; Y41-I44 PolarHBondContact O-N 2.92Å; Y41-V45 WeakPolarHBondContact O-CG2 3.32Å; Y41-V45 PolarHBondContact O-N 3.29Å
42A96.6Very high96.4Very high66 Ų6664.5 Ų64.555%0.54532%0.324SS..Hα-helixtrans-60-27.5171.200000112.5S40 V45 F46S40-A42 PolarHBondContact O-N 3.33Å; S40-A42 VanDerWaalsContact O-N 3.14Å; S40-A42 WeakPolarHBondContact OG-CB 3.32Å; S40-A42 PolarHBondContact OG-N 3.06Å; A42-V45 PolarHBondContact O-N 2.85Å; A42-F46 PolarHBondContact O-N 2.98Å
43F95.8Very high96.4Very high52 Ų5269.5 Ų69.523%0.22835%0.346CS..Hα-helixtrans-63.1-55.5178-168.8-101.7000111.7F35 S40 Y41 V45 F46 H47 V166F35-F43 AromaticContact CD1-CD1 3.94Å; F35-F43 HydrophobicContact CD1-CD1 3.94Å; F35-F43 AromaticContact CD1-CE1 3.48Å; F35-F43 HydrophobicContact CD1-CE1 3.48Å; F35-F43 VanDerWaalsContact CD1-CE1 3.48Å; F35-F43 HydrophobicContact CD1-CE2 4.39Å; F35-F43 AromaticContact CD1-CZ 3.72Å; F35-F43 HydrophobicContact CD1-CZ 3.72Å; F35-F43 AromaticContact CE1-CE1 3.97Å; F35-F43 HydrophobicContact CE1-CE1 3.97Å; F35-F43 HydrophobicContact CE1-CE2 4.09Å; F35-F43 AromaticContact CE1-CZ 3.7Å; F35-F43 HydrophobicContact CE1-CZ 3.7Å; F35-F43 HydrophobicContact CG-CE1 4.45Å; S40-F43 WeakPolarHBondContact O-CB 3.27Å; S40-F43 PolarHBondContact O-N 2.75Å; Y41-F43 PolarHBondContact O-N 2.93Å; F43-V45 VanDerWaalsContact C-N 3.27Å; F43-V45 PolarHBondContact O-N 3.4Å; F43-F46 PolarHBondContact O-N 3.34Å; F43-H47 AromaticContact CD2-NE2 3.97Å; F43-H47 AromaticContact CE1-CE1 3.93Å; F43-H47 AromaticContact CE1-NE2 3.67Å; F43-H47 AromaticContact CE2-NE2 3.55Å; F43-H47 AromaticContact CZ-CE1 3.76Å; F43-H47 AromaticContact CZ-NE2 3.4Å; F43-H47 WeakPolarHBondContact CZ-NE2 3.25Å; F43-H47 PolarHBondContact O-CD2 3.37Å; F43-H47 PolarHBondContact O-N 3.49Å; F43-H47 VanDerWaalsContact O-N 3.08Å; F43-V166 HydrophobicContact CE1-CG1 4.16Å; F43-V166 HydrophobicContact CE1-CG2 4.45Å; F43-V166 HydrophobicContact CZ-CG1 4.1Å; F43-V166 HydrophobicContact CZ-CG2 3.71Å
44I97.4Very high96.5Very high30 Ų3063.8 Ų63.815%0.15432%0.324CS..Hα-helixtrans-64.7-31.8179-174.3168.1000112L28 W33 Y41 S48L28-I44 HydrophobicContact CD2-CG1 4.28Å; W33-I44 HydrophobicContact CB-CD1 4.08Å; W33-I44 HydrophobicContact CE3-CD1 4.02Å; Y41-I44 VanDerWaalsContact O-CG2 3.31Å; Y41-I44 WeakPolarHBondContact O-CG2 3.43Å; Y41-I44 PolarHBondContact O-N 2.92Å; I44-S48 VanDerWaalsContact O-CB 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.41Å; I44-S48 PolarHBondContact O-N 2.94Å; I44-S48 PolarHBondContact O-OG 3.47Å
45V97.7Very high96.7Very high83 Ų8364.9 Ų64.950%0.50333%0.331SS..Hα-helixtrans-62.4-48.9172.6174.40000111.3Y41 A42 F43 H47 S48 L49Y41-V45 WeakPolarHBondContact O-CG2 3.32Å; Y41-V45 PolarHBondContact O-N 3.29Å; A42-V45 PolarHBondContact O-N 2.85Å; F43-V45 VanDerWaalsContact C-N 3.27Å; F43-V45 PolarHBondContact O-N 3.4Å; V45-H47 PolarHBondContact O-N 3.44Å; V45-S48 PolarHBondContact O-N 2.88Å; V45-L49 HydrophobicContact CG1-CD1 3.99Å; V45-L49 HydrophobicContact CG1-CG 4.47Å; V45-L49 WeakPolarHBondContact O-CG 3.24Å; V45-L49 PolarHBondContact O-N 2.66Å
46F97.7Very high96.9Very high118 Ų11865.6 Ų65.652%0.51834%0.339SS..Hα-helixtrans-59.1-46.1177.7176.7-104.1000112.3A42 F43 S48 L49 L50A42-F46 PolarHBondContact O-N 2.98Å; F43-F46 PolarHBondContact O-N 3.34Å; F46-S48 VanDerWaalsContact C-N 3.34Å; F46-S48 PolarHBondContact O-N 3.09Å; F46-L49 PolarHBondContact O-N 3.33Å; F46-L50 PolarHBondContact O-N 3.07Å
47H97.9Very high97Very high5 Ų565.8 Ų65.82%0.02334%0.341CS..Hα-helixtrans-66.4-35.3178.9-73.6-122000112.4Y27 L28 F43 V45 L50 F51 I162Y27-H47 HydrophobicContact CE1-CB 4.41Å; Y27-H47 AromaticContact CE1-ND1 3.49Å; Y27-H47 WeakPolarHBondContact CE1-ND1 3.47Å; Y27-H47 AromaticContact CZ-CE1 3.98Å; Y27-H47 AromaticContact CZ-ND1 3.57Å; Y27-H47 PolarHBondContact OH-CE1 2.88Å; Y27-H47 PolarHBondContact OH-ND1 3.45Å; L28-H47 HydrophobicContact CD2-CB 4.09Å; F43-H47 AromaticContact CD2-NE2 3.97Å; F43-H47 AromaticContact CE1-CE1 3.93Å; F43-H47 AromaticContact CE1-NE2 3.67Å; F43-H47 AromaticContact CE2-NE2 3.55Å; F43-H47 AromaticContact CZ-CE1 3.76Å; F43-H47 AromaticContact CZ-NE2 3.4Å; F43-H47 WeakPolarHBondContact CZ-NE2 3.25Å; F43-H47 PolarHBondContact O-CD2 3.37Å; F43-H47 PolarHBondContact O-N 3.49Å; F43-H47 VanDerWaalsContact O-N 3.08Å; V45-H47 PolarHBondContact O-N 3.44Å; H47-L50 PolarHBondContact O-N 2.88Å; H47-F51 WeakPolarHBondContact O-CB 3.37Å; H47-F51 PolarHBondContact O-N 3.2Å; H47-I162 WeakPolarHBondContact CE1-CG2 3.39Å
48S98.1Very high97.2Very high48 Ų4861.1 Ų61.134%0.33632%0.321SS..Hα-helixtrans-68.3-38.5175.9-58.60000112.1I44 V45 F46 F51 F52I44-S48 VanDerWaalsContact O-CB 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.41Å; I44-S48 PolarHBondContact O-N 2.94Å; I44-S48 PolarHBondContact O-OG 3.47Å; V45-S48 PolarHBondContact O-N 2.88Å; F46-S48 VanDerWaalsContact C-N 3.34Å; F46-S48 PolarHBondContact O-N 3.09Å; S48-F51 PolarHBondContact O-N 3.3Å; S48-F52 WeakPolarHBondContact O-CB 3.21Å; S48-F52 PolarHBondContact O-N 3.24Å
49L98.4Very high97.5Very high109 Ų10956.7 Ų56.757%0.57130%0.304SS*.Hα-helixtrans-67.1-40.8174.3-70.3171.1000112V45 F46 F52 F53V45-L49 HydrophobicContact CG1-CD1 3.99Å; V45-L49 HydrophobicContact CG1-CG 4.47Å; V45-L49 WeakPolarHBondContact O-CG 3.24Å; V45-L49 PolarHBondContact O-N 2.66Å; F46-L49 PolarHBondContact O-N 3.33Å; L49-F52 PolarHBondContact O-N 3.39Å; L49-F53 PolarHBondContact O-N 2.93Å
50L98.3Very high97.8Very high20 Ų2057.8 Ų57.811%0.10530%0.302CS..Hα-helixtrans-61.5-48.1173.3178.259.3000111.1F46 H47 F52 F53 V54 H159 I162F46-L50 PolarHBondContact O-N 3.07Å; H47-L50 PolarHBondContact O-N 2.88Å; L50-F52 PolarHBondContact O-N 2.86Å; L50-F53 WeakPolarHBondContact O-CB 3.29Å; L50-F53 PolarHBondContact O-N 3.01Å; L50-F53 VanDerWaalsContact O-N 3.15Å; L50-V54 HydrophobicContact CD1-CG2 4.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.23Å; L50-H159 HydrophobicContact CD2-CB 4Å; L50-H159 HydrophobicContact CG-CB 4.23Å; L50-I162 HydrophobicContact CD2-CD1 3.93Å
51F98.4Very high97.9Very high33 Ų3354.9 Ų54.915%0.14528%0.281CS..Hα-helixtrans-59.5-44.4176.6174.4-127.6000112.3L20 I21 T24 L28 H47 S48 F53 V54 V55L20-F51 HydrophobicContact CD1-CE2 4.46Å; L20-F51 HydrophobicContact CG-CE2 4.43Å; I21-F51 HydrophobicContact CG1-CZ 4.36Å; T24-F51 HydrophobicContact CG2-CB 3.97Å; T24-F51 HydrophobicContact CG2-CD1 3.97Å; T24-F51 HydrophobicContact CG2-CD2 3.37Å; T24-F51 HydrophobicContact CG2-CE1 4.28Å; T24-F51 HydrophobicContact CG2-CE2 3.72Å; T24-F51 HydrophobicContact CG2-CG 3.5Å; T24-F51 VanDerWaalsContact CG2-CG 3.5Å; T24-F51 HydrophobicContact CG2-CZ 4.16Å; L28-F51 HydrophobicContact CD1-CD1 4.02Å; H47-F51 WeakPolarHBondContact O-CB 3.37Å; H47-F51 PolarHBondContact O-N 3.2Å; S48-F51 PolarHBondContact O-N 3.3Å; F51-F53 VanDerWaalsContact C-N 3.29Å; F51-F53 PolarHBondContact O-N 2.91Å; F51-V54 PolarHBondContact O-N 3.44Å; F51-V55 HydrophobicContact CD2-CG2 3.76Å; F51-V55 HydrophobicContact CE1-CG2 4.43Å; F51-V55 HydrophobicContact CE2-CG2 3.35Å; F51-V55 HydrophobicContact CG-CG2 4.47Å; F51-V55 HydrophobicContact CZ-CG2 3.73Å; F51-V55 WeakPolarHBondContact O-CG2 3.29Å; F51-V55 PolarHBondContact O-N 3.11Å
52F98.5Very high97.8Very high142 Ų14248.9 Ų48.962%0.62326%0.259SS*.Hα-helixtrans-58.8-39.5174.9175.7-99.3000112.4S48 L49 L50 S56S48-F52 WeakPolarHBondContact O-CB 3.21Å; S48-F52 PolarHBondContact O-N 3.24Å; L49-F52 PolarHBondContact O-N 3.39Å; L50-F52 PolarHBondContact O-N 2.86Å; F52-S56 WeakPolarHBondContact O-CB 3.35Å; F52-S56 PolarHBondContact O-N 2.79Å; F52-S56 PolarHBondContact O-OG 3.45Å
53F98.4Very high97.8Very high105 Ų10551.4 Ų51.446%0.46126%0.258SS..Hα-helixtrans-66.1-45.9174.2-173.9-83000112.1L49 L50 F51 V55 S56 A57 T155L49-F53 PolarHBondContact O-N 2.93Å; L50-F53 WeakPolarHBondContact O-CB 3.29Å; L50-F53 PolarHBondContact O-N 3.01Å; L50-F53 VanDerWaalsContact O-N 3.15Å; F51-F53 VanDerWaalsContact C-N 3.29Å; F51-F53 PolarHBondContact O-N 2.91Å; F53-V55 PolarHBondContact O-N 2.87Å; F53-S56 PolarHBondContact O-N 3.34Å; F53-A57 HydrophobicContact CE1-CB 4.4Å; F53-A57 WeakPolarHBondContact O-CB 3.23Å; F53-A57 PolarHBondContact O-N 3.41Å; F53-T155 HydrophobicContact CD1-CG2 3.7Å; F53-T155 HydrophobicContact CE1-CG2 3.59Å
54V98.7Very high97.7Very high0 Ų050.9 Ų50.90%026%0.257CS..Hα-helixtrans-58.5-48.2177.9174.50000110.7L20 L50 F51 S56 A57 F58 F152 L156 H159L20-V54 HydrophobicContact CD1-CG1 3.85Å; L20-V54 HydrophobicContact CD2-CG1 4.37Å; L50-V54 HydrophobicContact CD1-CG2 4.38Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.23Å; F51-V54 PolarHBondContact O-N 3.44Å; V54-S56 PolarHBondContact O-N 3.14Å; V54-A57 PolarHBondContact O-N 2.83Å; V54-F58 WeakPolarHBondContact O-CB 3.26Å; V54-F58 PolarHBondContact O-N 3.31Å; V54-F152 HydrophobicContact CG1-CD2 4.06Å; V54-F152 HydrophobicContact CG1-CE2 4.13Å; V54-L156 HydrophobicContact CG1-CB 4.24Å; V54-L156 HydrophobicContact CG1-CD1 4.14Å; V54-H159 HydrophobicContact CG2-CB 4.21Å
55V98.5Very high97.5Very high35 Ų3551.5 Ų51.521%0.21226%0.26CS..Hα-helixtrans-63.5-40.2176.61720000111.5W17 L20 F51 F53 A57 F58 G59W17-V55 HydrophobicContact CZ3-CG1 4.06Å; L20-V55 HydrophobicContact CD2-CG2 4.18Å; L20-V55 HydrophobicContact CG-CG2 4.45Å; F51-V55 HydrophobicContact CD2-CG2 3.76Å; F51-V55 HydrophobicContact CE1-CG2 4.43Å; F51-V55 HydrophobicContact CE2-CG2 3.35Å; F51-V55 HydrophobicContact CG-CG2 4.47Å; F51-V55 HydrophobicContact CZ-CG2 3.73Å; F51-V55 WeakPolarHBondContact O-CG2 3.29Å; F51-V55 PolarHBondContact O-N 3.11Å; F53-V55 PolarHBondContact O-N 2.87Å; V55-A57 PolarHBondContact O-N 2.78Å; V55-F58 PolarHBondContact O-N 3.48Å; V55-G59 PolarHBondContact O-N 3.45Å
56S98.3Very high97.4Very high42 Ų4247.5 Ų47.529%0.29424%0.236SC..Hα-helixtrans-64.8-37.9176.1-66.30000112.8F52 F53 V54 K60F52-S56 WeakPolarHBondContact O-CB 3.35Å; F52-S56 PolarHBondContact O-N 2.79Å; F52-S56 PolarHBondContact O-OG 3.45Å; F53-S56 PolarHBondContact O-N 3.34Å; V54-S56 PolarHBondContact O-N 3.14Å; S56-K60 WeakPolarHBondContact O-CB 3.46Å; S56-K60 WeakPolarHBondContact O-CG 3.49Å; S56-K60 PolarHBondContact O-N 3.01Å; S56-K60 VanDerWaalsContact O-N 3.09Å
57A98.2Very high97.2Very high4 Ų441.9 Ų41.93%0.03321%0.212CC..Hα-helixtrans-71-43.2175.900000111.3F53 V54 V55 K60 A61 F152F53-A57 HydrophobicContact CE1-CB 4.4Å; F53-A57 WeakPolarHBondContact O-CB 3.23Å; F53-A57 PolarHBondContact O-N 3.41Å; V54-A57 PolarHBondContact O-N 2.83Å; V55-A57 PolarHBondContact O-N 2.78Å; A57-K60 PolarHBondContact O-N 2.95Å; A57-A61 WeakPolarHBondContact O-CB 3.5Å; A57-A61 PolarHBondContact O-N 2.99Å; A57-F152 HydrophobicContact CB-CB 3.82Å
58F98.3Very high96.9Very high4 Ų444.2 Ų44.22%0.01822%0.22CC..Hα-helixtrans-61.5-45175.3-168.5-124.5000112A16 W17 L20 V54 V55 A61 T62 L137 F152A16-F58 HydrophobicContact CB-CZ 3.75Å; W17-F58 HydrophobicContact CB-CE1 4.39Å; W17-F58 AromaticContact CD1-CE1 3.61Å; W17-F58 AromaticContact CD2-CD1 3.77Å; W17-F58 HydrophobicContact CD2-CD1 3.77Å; W17-F58 AromaticContact CD2-CE1 3.51Å; W17-F58 HydrophobicContact CD2-CE1 3.51Å; W17-F58 AromaticContact CE2-CD1 3.56Å; W17-F58 AromaticContact CE2-CE1 3.44Å; W17-F58 VanDerWaalsContact CE2-CE1 3.44Å; W17-F58 HydrophobicContact CE3-CD1 4.02Å; W17-F58 HydrophobicContact CE3-CE1 4.15Å; W17-F58 HydrophobicContact CG-CD1 4.37Å; W17-F58 AromaticContact CG-CE1 3.62Å; W17-F58 HydrophobicContact CG-CE1 3.62Å; W17-F58 AromaticContact CH2-CD1 3.93Å; W17-F58 HydrophobicContact CH2-CD1 3.93Å; W17-F58 AromaticContact CZ2-CD1 3.65Å; W17-F58 HydrophobicContact CZ2-CD1 3.65Å; W17-F58 HydrophobicContact CZ2-CE1 4.03Å; W17-F58 HydrophobicContact CZ3-CD1 4.11Å; W17-F58 AromaticContact NE1-CE1 3.47Å; L20-F58 HydrophobicContact CD2-CB 4.13Å; L20-F58 HydrophobicContact CD2-CD1 3.64Å; L20-F58 HydrophobicContact CD2-CE1 4.23Å; L20-F58 HydrophobicContact CD2-CG 3.96Å; V54-F58 WeakPolarHBondContact O-CB 3.26Å; V54-F58 PolarHBondContact O-N 3.31Å; V55-F58 PolarHBondContact O-N 3.48Å; F58-A61 PolarHBondContact O-N 2.81Å; F58-T62 WeakPolarHBondContact O-CB 3.5Å; F58-T62 PolarHBondContact O-N 2.73Å; F58-T62 PolarHBondContact O-OG1 3.18Å; F58-L137 HydrophobicContact CD2-CD2 3.55Å; F58-L137 HydrophobicContact CE2-CD2 3.28Å; F58-L137 HydrophobicContact CE2-CG 4.28Å; F58-L137 HydrophobicContact CG-CD2 4.5Å; F58-L137 HydrophobicContact CZ-CD2 4.05Å; F58-F152 HydrophobicContact CB-CD2 3.63Å; F58-F152 HydrophobicContact CB-CE2 3.73Å; F58-F152 HydrophobicContact CB-CG 4.32Å; F58-F152 HydrophobicContact CD2-CD1 4.05Å; F58-F152 AromaticContact CD2-CD2 3.8Å; F58-F152 HydrophobicContact CD2-CD2 3.8Å; F58-F152 AromaticContact CD2-CE1 3.62Å; F58-F152 HydrophobicContact CD2-CE1 3.62Å; F58-F152 AromaticContact CD2-CE2 3.33Å; F58-F152 HydrophobicContact CD2-CE2 3.33Å; F58-F152 HydrophobicContact CD2-CG 4.12Å; F58-F152 AromaticContact CD2-CZ 3.22Å; F58-F152 HydrophobicContact CD2-CZ 3.22Å; F58-F152 AromaticContact CE2-CE1 3.94Å; F58-F152 HydrophobicContact CE2-CE1 3.94Å; F58-F152 HydrophobicContact CE2-CE2 4.12Å; F58-F152 AromaticContact CE2-CZ 3.58Å; F58-F152 HydrophobicContact CE2-CZ 3.58Å; F58-F152 HydrophobicContact CG-CD2 4.09Å; F58-F152 AromaticContact CG-CE2 3.73Å; F58-F152 HydrophobicContact CG-CE2 3.73Å; F58-F152 HydrophobicContact CG-CZ 4.08Å
59G98Very high96.4Very high14 Ų1442.8 Ų42.814%0.14421%0.208CC..Hα-helixtrans-60.1-44.4174.100000112.9V55 T62 F63V55-G59 PolarHBondContact O-N 3.45Å; G59-T62 PolarHBondContact O-N 3.17Å; G59-F63 WeakPolarHBondContact O-CD2 3.34Å; G59-F63 PolarHBondContact O-N 2.69Å
60K97.4Very high95.8Very high104 Ų10438.6 Ų38.645%0.45219%0.189SC..Hα-helixtrans-67.9-34.4175.6-73.6178.1-176.31770113S56 A57 M64 Y148S56-K60 WeakPolarHBondContact O-CB 3.46Å; S56-K60 WeakPolarHBondContact O-CG 3.49Å; S56-K60 PolarHBondContact O-N 3.01Å; S56-K60 VanDerWaalsContact O-N 3.09Å; A57-K60 PolarHBondContact O-N 2.95Å; K60-M64 WeakPolarHBondContact O-CB 3.41Å; K60-M64 PolarHBondContact O-N 2.83Å; K60-Y148 HydrophobicContact CB-CD1 3.93Å; K60-Y148 HydrophobicContact CB-CD2 3.92Å; K60-Y148 HydrophobicContact CB-CG 3.58Å; K60-Y148 HydrophobicContact CD-CD1 3.75Å; K60-Y148 HydrophobicContact CD-CE1 3.67Å; K60-Y148 HydrophobicContact CD-CG 4.23Å; K60-Y148 HydrophobicContact CG-CD1 4.48Å
61A97.4Very high95Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-67.7-40.3172.700000112A57 F58 L137 N139 N145 F149A57-A61 WeakPolarHBondContact O-CB 3.5Å; A57-A61 PolarHBondContact O-N 2.99Å; F58-A61 PolarHBondContact O-N 2.81Å; A61-L137 HydrophobicContact CB-CD1 3.96Å; A61-L137 HydrophobicContact CB-CD2 3.97Å; A61-N139 PolarHBondContact O-ND2 2.98Å; A61-N145 PolarHBondContact O-ND2 3.11Å; A61-F149 HydrophobicContact CB-CB 4.16Å
62T96.7Very high93.8Very high13 Ų1342 Ų428%0.0821%0.21CC..Hα-helixtrans-66-59179-56.90000111.4W17 F58 G59 L137 N139W17-T62 HydrophobicContact CZ2-CG2 4.5Å; F58-T62 WeakPolarHBondContact O-CB 3.5Å; F58-T62 PolarHBondContact O-N 2.73Å; F58-T62 PolarHBondContact O-OG1 3.18Å; G59-T62 PolarHBondContact O-N 3.17Å; T62-L137 VanDerWaalsContact OG1-CD2 3.29Å; T62-L137 WeakPolarHBondContact OG1-CD2 3.38Å; T62-N139 PolarHBondContact O-ND2 3.3Å
63F96Very high92.3Very high118 Ų11839.9 Ų39.952%0.51821%0.208SC..Hα-helixtrans-95.8-13.4-163.6-56.9-62000115.1Q4 W17 G59Q4-F63 PolarHBondContact NE2-O 3.02Å; W17-F63 HydrophobicContact CH2-CE2 4.22Å; W17-F63 AromaticContact CZ2-CE2 3.65Å; W17-F63 HydrophobicContact CZ2-CE2 3.65Å; W17-F63 HydrophobicContact CZ2-CZ 4.05Å; G59-F63 WeakPolarHBondContact O-CD2 3.34Å; G59-F63 PolarHBondContact O-N 2.69Å
64M93.8Very high90.3Very high41 Ų4140.1 Ų40.120%0.20222%0.22CC..SBendtrans-77.5138.5-179.3-169.6175.1-66.200112K60 N139 N145 Y148 Q248K60-M64 WeakPolarHBondContact O-CB 3.41Å; K60-M64 PolarHBondContact O-N 2.83Å; M64-N139 PolarHBondContact O-ND2 3.39Å; M64-N145 HydrophobicContact CB-CB 4.25Å; M64-Y148 HydrophobicContact CE-CD2 3.93Å; M64-Y148 HydrophobicContact CE-CE2 3.39Å; M64-Y148 HydrophobicContact SD-CD2 4.01Å; M64-Y148 HydrophobicContact SD-CE2 3.64Å; M64-Q248 PolarHBondContact SD-NE2 3.23Å
65D93.8Very high88.1Confident43 Ų4342.9 Ų42.923%0.2325%0.249CC..  trans-50.8127.4166.3-173.1-63.3000110.8G67 Y68 R144D65-G67 WeakPolarHBondContact OD1-CA 3.39Å; D65-G67 PolarHBondContact OD1-N 3.23Å; D65-Y68 PolarHBondContact OD1-N 3.14Å; D65-Y68 VanDerWaalsContact OD1-N 3.15Å; D65-Y68 WeakPolarHBondContact OD2-CD2 3.28Å; D65-R144 WeakPolarHBondContact O-CB 3.19Å; D65-R144 WeakPolarHBondContact O-CD 3.36Å; D65-R144 PolarHBondContact O-NE 2.88Å; D65-R144 WeakPolarHBondContact OD1-CD 3.45Å; D65-R144 IonicContact OD1-NE 2.66Å
66P94.4Very high86Confident0 Ų047.1 Ų47.10%027%0.266CS..  trans-79.2-16.3-174.133.7-38.2000114.6Y68 I127 C140 G142 K143 R144P66-Y68 HydrophobicContact CG-CD1 4.09Å; P66-Y68 HydrophobicContact CG-CD2 4.38Å; P66-Y68 HydrophobicContact CG-CE1 3.71Å; P66-Y68 HydrophobicContact CG-CE2 4.01Å; P66-Y68 HydrophobicContact CG-CG 4.4Å; P66-I127 HydrophobicContact CB-CG2 3.96Å; P66-I127 HydrophobicContact CG-CD1 4.43Å; P66-I127 HydrophobicContact CG-CG2 4.14Å; P66-C140 HydrophobicContact CB-CB 4.13Å; P66-C140 WeakPolarHBondContact CB-O 3.46Å; P66-C140 HydrophobicContact CG-CB 3.95Å; P66-G142 CarbonylContact O-C 3.52Å; P66-G142 WeakPolarHBondContact O-CA 3.48Å; P66-K143 PolarHBondContact O-N 3.44Å; P66-R144 WeakPolarHBondContact O-CB 3.32Å; P66-R144 PolarHBondContact O-N 3.45Å
67G93Very high83.8Confident0 Ų051.2 Ų51.20%028%0.279CS..  trans120.251.4-171.700000111.2D65 Y69 D128D65-G67 WeakPolarHBondContact OD1-CA 3.39Å; D65-G67 PolarHBondContact OD1-N 3.23Å; G67-Y69 PolarHBondContact O-N 3.33Å; G67-D128 PolarHBondContact O-N 2.98Å
68Y91.5Very high81.6Confident53 Ų5354.6 Ų54.621%0.20830%0.295CS..BIsolated β-bridgetrans-65.6133.7176.8-66.8-51.8000111.3D65 P66 C123 H125 I127 N253D65-Y68 PolarHBondContact OD1-N 3.14Å; D65-Y68 VanDerWaalsContact OD1-N 3.15Å; D65-Y68 WeakPolarHBondContact OD2-CD2 3.28Å; P66-Y68 HydrophobicContact CG-CD1 4.09Å; P66-Y68 HydrophobicContact CG-CD2 4.38Å; P66-Y68 HydrophobicContact CG-CE1 3.71Å; P66-Y68 HydrophobicContact CG-CE2 4.01Å; P66-Y68 HydrophobicContact CG-CG 4.4Å; Y68-C123 HydrophobicContact CE1-CB 3.97Å; Y68-H125 HydrophobicContact CD1-CB 3.45Å; Y68-H125 VanDerWaalsContact CD1-CB 3.45Å; Y68-H125 HydrophobicContact CE1-CB 3.88Å; Y68-H125 HydrophobicContact CG-CB 4.29Å; Y68-I127 HydrophobicContact CD1-CD1 3.44Å; Y68-I127 VanDerWaalsContact CD1-CD1 3.44Å; Y68-I127 HydrophobicContact CE1-CD1 3.34Å; Y68-N253 PolarHBondContact O-N 3.41Å
69Y89.5Confident79.1Confident18 Ų1861 Ų617%0.07134%0.335CS..BIsolated β-bridgetrans-81.5144.1163.4-79.3-84.4000110.8G67 F111 P114 C117 C126 D128 N253 P255G67-Y69 PolarHBondContact O-N 3.33Å; Y69-F111 VanDerWaalsContact CB-CZ 3.48Å; Y69-F111 HydrophobicContact CD1-CE2 4.45Å; Y69-F111 HydrophobicContact CD1-CZ 4.25Å; Y69-F111 HydrophobicContact CD2-CZ 4.28Å; Y69-F111 HydrophobicContact CG-CE2 4.27Å; Y69-F111 AromaticContact CG-CZ 3.77Å; Y69-F111 HydrophobicContact CG-CZ 3.77Å; Y69-P114 HydrophobicContact CE1-CG 3.99Å; Y69-C117 HydrophobicContact CE2-CB 3.99Å; Y69-C117 VanDerWaalsContact CE2-SG 3.51Å; Y69-C126 HydrophobicContact CD2-CB 4.12Å; Y69-C126 HydrophobicContact CG-CB 4.48Å; Y69-C126 PolarHBondContact N-O 2.8Å; Y69-D128 HydrophobicContact CD2-CB 4.34Å; Y69-D128 HydrophobicContact CE2-CB 3.59Å; Y69-N253 CarbonylContact C-O 3.08Å; Y69-N253 VanDerWaalsContact CA-O 3.24Å; Y69-N253 WeakPolarHBondContact CA-O 3.5Å; Y69-N253 HydrophobicContact CD1-CB 3.5Å; Y69-N253 WeakPolarHBondContact CD1-O 3.41Å; Y69-N253 HydrophobicContact CE1-CB 3.57Å; Y69-N253 HydrophobicContact CG-CB 4.08Å; Y69-P255 HydrophobicContact CD1-CB 4.38Å
70A84.8Confident76.6Confident22 Ų2265.4 Ų65.418%0.18236%0.359CS..PPolyproline II helixtrans-58.7151.716300000110.7F111 L252 N253 R254A70-F111 WeakPolarHBondContact O-CE1 3.13Å; A70-L252 HydrophobicContact CB-CD1 4.05Å; A70-L252 HydrophobicContact CB-CD2 4.49Å; A70-L252 HydrophobicContact CB-CG 4.44Å; A70-N253 PolarHBondContact N-O 2.75Å; A70-R254 HydrophobicContact CB-CG 4.23Å
71M81.2Confident74.1Confident111 Ų11163.6 Ų63.655%0.54736%0.356SS..PPolyproline II helixtrans-64.4148.2165.4-57.5-80.9-88.900109T108 C109M71-T108 VanDerWaalsContact CE-O 3.3Å; M71-T108 WeakPolarHBondContact CE-O 3.39Å; M71-C109 HydrophobicContact SD-CB 4.02Å
72G73.1Confident71.4Confident13 Ų1371.9 Ų71.913%0.13440%0.395CS..PPolyproline II helixtrans-66.2161168.300000111.3P74 C109G72-P74 VanDerWaalsContact O-CD 3.28Å; G72-P74 WeakPolarHBondContact O-CD 3.49Å; G72-C109 PolarHBondContact N-O 3.45Å
73V67.2Low68.9Low97 Ų9782 Ų8259%0.58844%0.438SS*.PPolyproline II helixtrans-73.3118178.9-178.90000109.1G75 E76V73-G75 PolarHBondContact O-N 3.36Å; V73-E76 HydrophobicContact CB-CB 4.28Å; V73-E76 WeakPolarHBondContact O-CB 3.26Å; V73-E76 PolarHBondContact O-N 3.42Å
74P57.4Low66.7Low110 Ų11079.6 Ų79.671%0.71445%0.446SS*.THydrogen-bonded Turntrans-63.5115.3-178.2-22.835.2000110.8G72 E110G72-P74 VanDerWaalsContact O-CD 3.28Å; G72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-E110 WeakPolarHBondContact CA-OE2 3.1Å
75G52.1Low64.5Low58 Ų5881.1 Ų81.160%0.59846%0.461SS*.THydrogen-bonded Turntrans115.3-17.8-172.400000114.3V73 K77V73-G75 PolarHBondContact O-N 3.36Å; G75-K77 PolarHBondContact O-N 2.82Å
76E54Low62Low125 Ų12584.5 Ų84.558%0.58449%0.485SS*.  trans-75.242.5168-159.5173-16200111.4V73 M78V73-E76 HydrophobicContact CB-CB 4.28Å; V73-E76 WeakPolarHBondContact O-CB 3.26Å; V73-E76 PolarHBondContact O-N 3.42Å; E76-M78 PolarHBondContact O-N 3.38Å; E76-M78 VanDerWaalsContact O-N 3.14Å
77K51.8Low59.8Low128 Ų12896.3 Ų96.356%0.55753%0.53SS*.  trans-76.1101.7176.3-68.9178.2178.8177.20107.7G75 T79 E110G75-K77 PolarHBondContact O-N 2.82Å; K77-T79 WeakPolarHBondContact O-CG2 3.35Å; K77-T79 PolarHBondContact O-N 2.92Å; K77-E110 WeakPolarHBondContact CE-OE1 3.4Å; K77-E110 IonicContact NZ-OE1 3.86Å; K77-E110 PolarHBondContact NZ-OE1 2.88Å
78M52.6Low57.8Low75 Ų75100.9 Ų100.937%0.36956%0.558SS.*  trans-19.696.7178.2-173.6172.2-175.600113.1E76 T80 V81 M90 Y112E76-M78 PolarHBondContact O-N 3.38Å; E76-M78 VanDerWaalsContact O-N 3.14Å; M78-T80 WeakPolarHBondContact CE-OG1 3.31Å; M78-T80 WeakPolarHBondContact CG-OG1 3.2Å; M78-T80 PolarHBondContact O-N 3.45Å; M78-V81 HydrophobicContact CG-CG2 4.42Å; M78-V81 PolarHBondContact O-N 3.49Å; M78-V81 HydrophobicContact SD-CG2 4.47Å; M78-M90 HydrophobicContact SD-CE 4.22Å; M78-Y112 HydrophobicContact SD-CE2 3.81Å; M78-Y112 PolarHBondContact SD-OH 2.93Å
79T44.9Very low56.1Low139 Ų139102.7 Ų102.785%0.85357%0.574SS**THydrogen-bonded Turntrans-74.519.6-168.745.20000114.1K77K77-T79 WeakPolarHBondContact O-CG2 3.35Å; K77-T79 PolarHBondContact O-N 2.92Å
80T45.6Very low55Low106 Ų106105.1 Ų105.165%0.6559%0.587SS**THydrogen-bonded Turntrans-124.611-177.750.80000112.8M78M78-T80 WeakPolarHBondContact CE-OG1 3.31Å; M78-T80 WeakPolarHBondContact CG-OG1 3.2Å; M78-T80 PolarHBondContact O-N 3.45Å
81V45.6Very low54.4Low66 Ų66109.6 Ų109.640%0.460%0.6SS.*SBendtrans-91.9112.5163.3-1740000108.7M78 M90M78-V81 HydrophobicContact CG-CG2 4.42Å; M78-V81 PolarHBondContact O-N 3.49Å; M78-V81 HydrophobicContact SD-CG2 4.47Å; V81-M90 HydrophobicContact CG2-CE 3.6Å; V81-M90 HydrophobicContact CG2-SD 4.23Å
82E41.4Very low54.2Low173 Ų173105.4 Ų105.481%0.80858%0.579SS**  trans-61.5144.9179.3-61.9-176.3132.500112G84E82-G84 PolarHBondContact O-N 2.92Å
83K43.4Very low54.6Low226 Ų226106 Ų10698%0.98358%0.581SS**THydrogen-bonded Turntrans-71.474.2175.8-68.9179.8178.1175.80110.9
84G48.9Very low55.4Low67 Ų67101.4 Ų101.469%0.69155%0.553SS**THydrogen-bonded Turntrans-163.1-32.1-179.800000117.8E82 P86E82-G84 PolarHBondContact O-N 2.92Å; G84-P86 WeakPolarHBondContact O-CD 3.46Å
85S47.8Very low56.7Low73 Ų7399.6 Ų99.651%0.5154%0.537SS..  trans-83.4125.6-171.853.20000113.7R87S85-R87 PolarHBondContact O-N 3.04Å
86P42.4Very low58.3Low115 Ų11597.2 Ų97.275%0.74751%0.511SS*.  trans-76.1113.8179.2-1732000113.1G84 T88G84-P86 WeakPolarHBondContact O-CD 3.46Å; P86-T88 PolarHBondContact O-N 3.33Å
87R46.8Very low59.8Low247 Ų24797.9 Ų97.993%0.93252%0.518SS*.SBendtrans55.812.6154.6-62.3-176.9175.8174.4-1.2118.4S85 V89S85-R87 PolarHBondContact O-N 3.04Å; R87-V89 PolarHBondContact O-N 3.46Å
88T52.9Low61.2Low96 Ų9695.4 Ų95.459%0.58953%0.529SS*.  trans-62.1120171.244.90000109.8P86 M90P86-T88 PolarHBondContact O-N 3.33Å; T88-M90 PolarHBondContact O-N 3.33Å
89V55.8Low62.7Low91 Ų9193 Ų9355%0.55252%0.519SS*.  trans-62.3111.8175.2175.30000107.7R87 Y91R87-V89 PolarHBondContact O-N 3.46Å; V89-Y91 HydrophobicContact CB-CE2 4.12Å; V89-Y91 HydrophobicContact CG1-CE2 4.16Å; V89-Y91 WeakPolarHBondContact O-CD2 3.44Å; V89-Y91 PolarHBondContact O-N 2.94Å
90M64.7Low64.6Low70 Ų7090 Ų9035%0.34550%0.504SS..  trans-61107.7-177.7-71.2-73.8-72.300110.5M78 V81 T88 Y112M78-M90 HydrophobicContact SD-CE 4.22Å; V81-M90 HydrophobicContact CG2-CE 3.6Å; V81-M90 HydrophobicContact CG2-SD 4.23Å; T88-M90 PolarHBondContact O-N 3.33Å; M90-Y112 HydrophobicContact CB-CE1 4.18Å; M90-Y112 WeakPolarHBondContact CB-OH 3.29Å; M90-Y112 WeakPolarHBondContact CE-OH 3.33Å
91Y73.9Confident66.5Low115 Ų11585.2 Ų85.245%0.45147%0.474SS..EExtended strand (participates in β ladder)trans-98.8128169.7-71.2-82.9000109.1V89 R102 L103 K104V89-Y91 HydrophobicContact CB-CE2 4.12Å; V89-Y91 HydrophobicContact CG1-CE2 4.16Å; V89-Y91 WeakPolarHBondContact O-CD2 3.44Å; V89-Y91 PolarHBondContact O-N 2.94Å; Y91-R102 HydrophobicContact CD1-CB 3.91Å; Y91-L103 WeakPolarHBondContact CA-O 3.4Å; Y91-K104 HydrophobicContact CD1-CG 4.03Å; Y91-K104 HydrophobicContact CE1-CD 4.23Å; Y91-K104 HydrophobicContact CE1-CG 3.65Å
92K76.2Confident68.3Low23 Ų2390.3 Ų90.310%0.149%0.486CS..EExtended strand (participates in β ladder)trans-110.3111.7171.6178.8172.1170.8-179.10107.8V94 L103 Y112 E264K92-V94 HydrophobicContact CG-CG1 4.47Å; K92-L103 HydrophobicContact CB-CB 4.45Å; K92-L103 PolarHBondContact N-O 3.43Å; K92-L103 VanDerWaalsContact O-CB 3.27Å; K92-L103 WeakPolarHBondContact O-CB 3.29Å; K92-L103 WeakPolarHBondContact O-CG 3.17Å; K92-L103 PolarHBondContact O-N 2.7Å; K92-Y112 HydrophobicContact CB-CD1 4.01Å; K92-Y112 HydrophobicContact CB-CE1 3.85Å; K92-E264 VanDerWaalsContact NZ-CD 3.32Å; K92-E264 IonicContact NZ-OE1 2.63Å; K92-E264 PolarHBondContact NZ-OE1 3.29Å
93S81.4Confident70.5Confident26 Ų2682.7 Ų82.718%0.18245%0.451CS..EExtended strand (participates in β ladder)trans-75.3138.7176.6-63.40000110.2Y267S93-Y267 WeakPolarHBondContact O-CD2 3.21Å; S93-Y267 WeakPolarHBondContact O-CE2 3.46Å
94V83Confident72.7Confident1 Ų177 Ų771%0.00643%0.426CS..EExtended strand (participates in β ladder)trans-138.3136.6173.3-56.30000109.3K92 I96 T101 L103 P115 W263K92-V94 HydrophobicContact CG-CG1 4.47Å; V94-I96 HydrophobicContact CG2-CD1 4.18Å; V94-I96 HydrophobicContact CG2-CG1 4.16Å; V94-T101 PolarHBondContact N-O 3.19Å; V94-T101 PolarHBondContact O-N 3.34Å; V94-L103 HydrophobicContact CG1-CD1 3.71Å; V94-L103 HydrophobicContact CG1-CG 4.03Å; V94-L103 HydrophobicContact CG2-CD1 4.08Å; V94-L103 HydrophobicContact CG2-CD2 3.73Å; V94-L103 HydrophobicContact CG2-CG 3.82Å; V94-P115 HydrophobicContact CG2-CG 4.39Å; V94-W263 HydrophobicContact CB-CB 4.4Å; V94-W263 HydrophobicContact CB-CD2 4.48Å; V94-W263 HydrophobicContact CB-CE3 4.09Å; V94-W263 HydrophobicContact CG1-CB 3.82Å; V94-W263 HydrophobicContact CG1-CG 4.34Å; V94-W263 HydrophobicContact CG2-CE3 4.32Å
95D85.7Confident74.6Confident71 Ų7177 Ų7738%0.3841%0.406SS..EExtended strand (participates in β ladder)trans-89.9129-178.2-62.1-34.8000110.9S100D95-S100 WeakPolarHBondContact OD1-CA 3.27Å; D95-S100 WeakPolarHBondContact OD1-CB 3.41Å; D95-S100 PolarHBondContact OD1-OG 2.8Å
96I85Confident76.6Confident9 Ų973.6 Ų73.65%0.04638%0.381CS..EExtended strand (participates in β ladder)trans-127108.8-174.3-47.5-177.9000107.5V94 G98 V99 T101 P115 P231 Y232 W263V94-I96 HydrophobicContact CG2-CD1 4.18Å; V94-I96 HydrophobicContact CG2-CG1 4.16Å; I96-G98 PolarHBondContact O-N 3.4Å; I96-G98 VanDerWaalsContact O-N 3.14Å; I96-V99 PolarHBondContact N-O 3.47Å; I96-V99 PolarHBondContact O-N 2.81Å; I96-T101 HydrophobicContact CD1-CG2 4.08Å; I96-P115 HydrophobicContact CD1-CB 3.48Å; I96-P115 VanDerWaalsContact CD1-CB 3.48Å; I96-P115 HydrophobicContact CD1-CG 3.49Å; I96-P115 VanDerWaalsContact CD1-CG 3.49Å; I96-P231 HydrophobicContact CB-CB 4.24Å; I96-P231 HydrophobicContact CB-CG 4.38Å; I96-P231 HydrophobicContact CG2-CB 4.03Å; I96-P231 HydrophobicContact CG2-CG 4.3Å; I96-P231 WeakPolarHBondContact O-CB 3.43Å; I96-Y232 VanDerWaalsContact CD1-OH 3.29Å; I96-Y232 WeakPolarHBondContact CD1-OH 3.29Å; I96-Y232 HydrophobicContact CG2-CE1 3.96Å; I96-W263 HydrophobicContact CG1-CZ3 4.22Å
97N85.3Confident78.8Confident138 Ų13873.6 Ų73.674%0.73838%0.379SS*.THydrogen-bonded Turntrans49.438.4-176.5-61-22.8000113.4P231N97-P231 HydrophobicContact CB-CB 4.1Å; N97-P231 PolarHBondContact ND2-O 3.41Å
98G81.8Confident80.8Confident76 Ų7665.4 Ų65.478%0.78436%0.357SS*.THydrogen-bonded Turntrans85.2-0.3-177.500000115.7I96I96-G98 PolarHBondContact O-N 3.4Å; I96-G98 VanDerWaalsContact O-N 3.14Å
99V84.9Confident82.5Confident25 Ų2561 Ų6115%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-106.7112.5178.5-1750000110.4I96 T101 Y225 M229 P231I96-V99 PolarHBondContact N-O 3.47Å; I96-V99 PolarHBondContact O-N 2.81Å; V99-T101 PolarHBondContact O-N 2.98Å; V99-T101 PolarHBondContact O-OG1 2.89Å; V99-Y225 HydrophobicContact CG1-CD1 4.2Å; V99-Y225 HydrophobicContact CG1-CE1 4.17Å; V99-M229 HydrophobicContact CG2-CB 4.16Å; V99-M229 HydrophobicContact CG2-CE 4.42Å; V99-P231 HydrophobicContact CB-CB 4.06Å; V99-P231 HydrophobicContact CB-CG 4.13Å; V99-P231 HydrophobicContact CG1-CG 4.48Å; V99-P231 HydrophobicContact CG2-CB 4.01Å; V99-P231 HydrophobicContact CG2-CG 4.41Å
100S84.8Confident84Confident76 Ų7659.3 Ų59.353%0.53132%0.316SS..EExtended strand (participates in β ladder)trans-71115.7-179.9-151.40000111.7D95D95-S100 WeakPolarHBondContact OD1-CA 3.27Å; D95-S100 WeakPolarHBondContact OD1-CB 3.41Å; D95-S100 PolarHBondContact OD1-OG 2.8Å
101T83.8Confident85Confident5 Ų556.4 Ų56.43%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-113120.2-174.9-65.10000110V94 I96 V99 L103 Y225V94-T101 PolarHBondContact N-O 3.19Å; V94-T101 PolarHBondContact O-N 3.34Å; I96-T101 HydrophobicContact CD1-CG2 4.08Å; V99-T101 PolarHBondContact O-N 2.98Å; V99-T101 PolarHBondContact O-OG1 2.89Å; T101-L103 PolarHBondContact O-N 3.21Å; T101-Y225 PolarHBondContact OG1-OH 3.18Å
102R84Confident85.7Confident173 Ų17352 Ų5265%0.65328%0.284SS*.EExtended strand (participates in β ladder)trans-77.1113.2174.7-61.3-174.4-175.6-178.82.3111Y91Y91-R102 HydrophobicContact CD1-CB 3.91Å
103L88.9Confident86.3Confident13 Ų1353.5 Ų53.57%0.06829%0.289CS..EExtended strand (participates in β ladder)trans-72.9146.5167.9-52.2-173000110.1Y91 K92 V94 T101 P115Y91-L103 WeakPolarHBondContact CA-O 3.4Å; K92-L103 HydrophobicContact CB-CB 4.45Å; K92-L103 PolarHBondContact N-O 3.43Å; K92-L103 VanDerWaalsContact O-CB 3.27Å; K92-L103 WeakPolarHBondContact O-CB 3.29Å; K92-L103 WeakPolarHBondContact O-CG 3.17Å; K92-L103 PolarHBondContact O-N 2.7Å; V94-L103 HydrophobicContact CG1-CD1 3.71Å; V94-L103 HydrophobicContact CG1-CG 4.03Å; V94-L103 HydrophobicContact CG2-CD1 4.08Å; V94-L103 HydrophobicContact CG2-CD2 3.73Å; V94-L103 HydrophobicContact CG2-CG 3.82Å; T101-L103 PolarHBondContact O-N 3.21Å; L103-P115 HydrophobicContact CD2-CG 4.05Å
104K88.5Confident86.8Confident108 Ų10853.1 Ų53.147%0.4729%0.286SS..EExtended strand (participates in β ladder)trans-113134.3177.9-70.7179.4175.9178.50109.9Y91 R113Y91-K104 HydrophobicContact CD1-CG 4.03Å; Y91-K104 HydrophobicContact CE1-CD 4.23Å; Y91-K104 HydrophobicContact CE1-CG 3.65Å; K104-R113 WeakPolarHBondContact O-CB 3.25Å; K104-R113 WeakPolarHBondContact O-CG 3.42Å; K104-R113 PolarHBondContact O-N 2.9Å
105W88.2Confident87.1Confident67 Ų6754 Ų5425%0.25429%0.292SS..EExtended strand (participates in β ladder)trans-59.9141.2167.2-174.8-102.2000111.4E110 Y112W105-E110 VanDerWaalsContact CH2-C 3.45Å; W105-E110 VanDerWaalsContact CH2-O 3.29Å; W105-E110 WeakPolarHBondContact CH2-O 3.49Å; W105-E110 HydrophobicContact CZ2-CB 4.09Å; W105-Y112 HydrophobicContact CB-CD1 4.44Å; W105-Y112 HydrophobicContact CB-CE1 4.4Å; W105-Y112 HydrophobicContact CE3-CD1 4.13Å; W105-Y112 AromaticContact CE3-CD2 3.61Å; W105-Y112 HydrophobicContact CE3-CD2 3.61Å; W105-Y112 HydrophobicContact CE3-CE1 4.22Å; W105-Y112 AromaticContact CE3-CE2 3.71Å; W105-Y112 HydrophobicContact CE3-CE2 3.71Å; W105-Y112 AromaticContact CE3-CG 3.82Å; W105-Y112 HydrophobicContact CE3-CG 3.82Å; W105-Y112 AromaticContact CZ3-CD2 3.71Å; W105-Y112 HydrophobicContact CZ3-CD2 3.71Å; W105-Y112 AromaticContact CZ3-CE2 3.86Å; W105-Y112 HydrophobicContact CZ3-CE2 3.86Å; W105-Y112 HydrophobicContact CZ3-CG 4.31Å
106C90.5Very high87.5Confident0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-101.8106.8169.1-163.90000110T108 C109 E110 F111 R113 C126C106-T108 PolarHBondContact O-N 3Å; C106-C109 HydrophobicContact CB-CB 4.18Å; C106-C109 PolarHBondContact O-N 3.15Å; C106-E110 WeakPolarHBondContact O-CA 3.3Å; C106-E110 PolarHBondContact O-N 3.11Å; C106-F111 WeakPolarHBondContact CB-O 3.38Å; C106-F111 PolarHBondContact N-O 3.05Å; C106-R113 HydrophobicContact CB-CG 3.83Å; C106-R113 PolarHBondContact SG-NE 3.37Å; C106-R113 VanDerWaalsContact SG-NE 3.44Å; C106-R113 PolarHBondContact SG-NH2 3.49Å; C106-C126 PolarHBondContact SG-SG 3.05Å
107V89.1Confident87.9Confident116 Ų11652.1 Ų52.170%0.70328%0.28SS*.THydrogen-bonded Turntrans-60.5-45176.2-176.90000111.2C109V107-C109 VanDerWaalsContact C-N 3.29Å; V107-C109 PolarHBondContact O-N 3.23Å
108T88.2Confident88.3Confident75 Ų7546.8 Ų46.846%0.4625%0.253SS..THydrogen-bonded Turntrans-66.1-26.2-177.1-28.30000114.6M71 C106 H119M71-T108 VanDerWaalsContact CE-O 3.3Å; M71-T108 WeakPolarHBondContact CE-O 3.39Å; C106-T108 PolarHBondContact O-N 3Å; T108-H119 WeakPolarHBondContact CB-CE1 3.06Å; T108-H119 PolarHBondContact OG1-NE2 2.82Å
109C89.1Confident89Confident3 Ų344.8 Ų44.82%0.0222%0.224CC..THydrogen-bonded Turntrans-117.11.2-175.3-52.80000113.1M71 G72 C106 V107 F111 H119M71-C109 HydrophobicContact SD-CB 4.02Å; G72-C109 PolarHBondContact N-O 3.45Å; C106-C109 HydrophobicContact CB-CB 4.18Å; C106-C109 PolarHBondContact O-N 3.15Å; V107-C109 VanDerWaalsContact C-N 3.29Å; V107-C109 PolarHBondContact O-N 3.23Å; C109-F111 HydrophobicContact CB-CD1 3.87Å; C109-F111 HydrophobicContact CB-CE1 3.56Å; C109-F111 HydrophobicContact CB-CZ 4.45Å; C109-F111 VanDerWaalsContact O-CD1 3.22Å; C109-F111 WeakPolarHBondContact O-CD1 3.26Å; C109-F111 PolarHBondContact O-N 3.44Å; C109-H119 PolarHBondContact SG-ND1 3.45Å
110E87.8Confident89.5Confident55 Ų5544 Ų4426%0.25722%0.219SC..THydrogen-bonded Turntrans48.744.8180-56.8-159.2127.200115.9P74 K77 W105 C106P74-E110 WeakPolarHBondContact CA-OE2 3.1Å; K77-E110 WeakPolarHBondContact CE-OE1 3.4Å; K77-E110 IonicContact NZ-OE1 3.86Å; K77-E110 PolarHBondContact NZ-OE1 2.88Å; W105-E110 VanDerWaalsContact CH2-C 3.45Å; W105-E110 VanDerWaalsContact CH2-O 3.29Å; W105-E110 WeakPolarHBondContact CH2-O 3.49Å; W105-E110 HydrophobicContact CZ2-CB 4.09Å; C106-E110 WeakPolarHBondContact O-CA 3.3Å; C106-E110 PolarHBondContact O-N 3.11Å
111F85.3Confident89.9Confident10 Ų1044.3 Ų44.34%0.04422%0.221CC..EExtended strand (participates in β ladder)trans-150.1161.4168.168.6-95.7000114Y69 A70 C106 C109 R113 C126 P255Y69-F111 VanDerWaalsContact CB-CZ 3.48Å; Y69-F111 HydrophobicContact CD1-CE2 4.45Å; Y69-F111 HydrophobicContact CD1-CZ 4.25Å; Y69-F111 HydrophobicContact CD2-CZ 4.28Å; Y69-F111 HydrophobicContact CG-CE2 4.27Å; Y69-F111 AromaticContact CG-CZ 3.77Å; Y69-F111 HydrophobicContact CG-CZ 3.77Å; A70-F111 WeakPolarHBondContact O-CE1 3.13Å; C106-F111 WeakPolarHBondContact CB-O 3.38Å; C106-F111 PolarHBondContact N-O 3.05Å; C109-F111 HydrophobicContact CB-CD1 3.87Å; C109-F111 HydrophobicContact CB-CE1 3.56Å; C109-F111 HydrophobicContact CB-CZ 4.45Å; C109-F111 VanDerWaalsContact O-CD1 3.22Å; C109-F111 WeakPolarHBondContact O-CD1 3.26Å; C109-F111 PolarHBondContact O-N 3.44Å; F111-R113 PolarHBondContact O-N 3.2Å; F111-C126 HydrophobicContact CE1-CB 4.21Å; F111-C126 HydrophobicContact CE2-CB 4.38Å; F111-C126 HydrophobicContact CZ-CB 3.51Å; F111-P255 HydrophobicContact CD1-CG 4.27Å; F111-P255 HydrophobicContact CD2-CB 4.23Å; F111-P255 HydrophobicContact CG-CB 4.41Å; F111-P255 HydrophobicContact CG-CG 4.23Å
112Y87.4Confident90.3Very high23 Ų2348.2 Ų48.29%0.0924%0.241CC..EExtended strand (participates in β ladder)trans-71.1113.3170.4-77.2-78.4000111M78 M90 K92 W105 P114M78-Y112 HydrophobicContact SD-CE2 3.81Å; M78-Y112 PolarHBondContact SD-OH 2.93Å; M90-Y112 HydrophobicContact CB-CE1 4.18Å; M90-Y112 WeakPolarHBondContact CB-OH 3.29Å; M90-Y112 WeakPolarHBondContact CE-OH 3.33Å; K92-Y112 HydrophobicContact CB-CD1 4.01Å; K92-Y112 HydrophobicContact CB-CE1 3.85Å; W105-Y112 HydrophobicContact CB-CD1 4.44Å; W105-Y112 HydrophobicContact CB-CE1 4.4Å; W105-Y112 HydrophobicContact CE3-CD1 4.13Å; W105-Y112 AromaticContact CE3-CD2 3.61Å; W105-Y112 HydrophobicContact CE3-CD2 3.61Å; W105-Y112 HydrophobicContact CE3-CE1 4.22Å; W105-Y112 AromaticContact CE3-CE2 3.71Å; W105-Y112 HydrophobicContact CE3-CE2 3.71Å; W105-Y112 AromaticContact CE3-CG 3.82Å; W105-Y112 HydrophobicContact CE3-CG 3.82Å; W105-Y112 AromaticContact CZ3-CD2 3.71Å; W105-Y112 HydrophobicContact CZ3-CD2 3.71Å; W105-Y112 AromaticContact CZ3-CE2 3.86Å; W105-Y112 HydrophobicContact CZ3-CE2 3.86Å; W105-Y112 HydrophobicContact CZ3-CG 4.31Å; Y112-P114 VanDerWaalsContact O-CD 3.23Å; Y112-P114 WeakPolarHBondContact O-CD 3.1Å
113R90.4Very high90.7Very high54 Ų5440.8 Ų40.820%0.20422%0.215CC..PPolyproline II helixtrans-58120.7-178.7-61.7180-173.8156.18.5110.2K104 C106 F111 C117 H119K104-R113 WeakPolarHBondContact O-CB 3.25Å; K104-R113 WeakPolarHBondContact O-CG 3.42Å; K104-R113 PolarHBondContact O-N 2.9Å; C106-R113 HydrophobicContact CB-CG 3.83Å; C106-R113 PolarHBondContact SG-NE 3.37Å; C106-R113 VanDerWaalsContact SG-NE 3.44Å; C106-R113 PolarHBondContact SG-NH2 3.49Å; F111-R113 PolarHBondContact O-N 3.2Å; R113-C117 HydrophobicContact CB-CB 4.18Å; R113-H119 VanDerWaalsContact NH2-CB 3.32Å
114P90.3Very high90.9Very high18 Ų1846.3 Ų46.312%0.11724%0.239CC..PPolyproline II helixtrans-58.5167.8175-29.538.4000112.8Y69 Y112 R116 C117Y69-P114 HydrophobicContact CE1-CG 3.99Å; Y112-P114 VanDerWaalsContact O-CD 3.23Å; Y112-P114 WeakPolarHBondContact O-CD 3.1Å; P114-R116 PolarHBondContact O-N 2.94Å; P114-C117 HydrophobicContact CB-CB 4.47Å; P114-C117 WeakPolarHBondContact O-CB 3.4Å; P114-C117 PolarHBondContact O-N 3.32Å
115P90.1Very high91.1Very high20 Ų2044.4 Ų44.413%0.1323%0.232CC..THydrogen-bonded Turntrans-54.3141.5176.8-21.931.6000112.4V94 I96 L103 C117 Y232 W263V94-P115 HydrophobicContact CG2-CG 4.39Å; I96-P115 HydrophobicContact CD1-CB 3.48Å; I96-P115 VanDerWaalsContact CD1-CB 3.48Å; I96-P115 HydrophobicContact CD1-CG 3.49Å; I96-P115 VanDerWaalsContact CD1-CG 3.49Å; L103-P115 HydrophobicContact CD2-CG 4.05Å; P115-C117 PolarHBondContact O-N 3.45Å; P115-Y232 WeakPolarHBondContact CB-OH 3.28Å; P115-W263 HydrophobicContact CG-CZ2 4.29Å
116R93.4Very high91.4Very high30 Ų3041.2 Ų41.211%0.11322%0.22CC..THydrogen-bonded Turntrans62-5.6-173.3-36.2-170.281.5168.78.8116.2P114 T129 F130 G214 E219 Y232P114-R116 PolarHBondContact O-N 2.94Å; R116-T129 HydrophobicContact CB-CG2 4.11Å; R116-T129 WeakPolarHBondContact O-CA 3.5Å; R116-F130 PolarHBondContact O-N 3.45Å; R116-G214 PolarHBondContact NH2-O 2.97Å; R116-E219 VanDerWaalsContact CG-OE1 3.31Å; R116-E219 WeakPolarHBondContact CG-OE1 3.29Å; R116-E219 IonicContact CZ-OE1 3.66Å; R116-E219 IonicContact CZ-OE2 3.45Å; R116-E219 IonicContact NE-OE1 2.83Å; R116-E219 PolarHBondContact NE-OE1 3.48Å; R116-E219 IonicContact NE-OE2 3.4Å; R116-E219 PolarHBondContact NE-OE2 2.85Å; R116-E219 IonicContact NH2-OE1 3.66Å; R116-E219 IonicContact NH2-OE2 2.67Å; R116-E219 PolarHBondContact NH2-OE2 2.62Å; R116-Y232 VanDerWaalsContact CD-CE2 3.46Å; R116-Y232 HydrophobicContact CG-CD2 4.11Å; R116-Y232 HydrophobicContact CG-CE1 4.2Å; R116-Y232 HydrophobicContact CG-CE2 3.42Å; R116-Y232 VanDerWaalsContact CG-CE2 3.42Å; R116-Y232 VanDerWaalsContact CG-CZ 3.47Å; R116-Y232 VanDerWaalsContact CZ-CD2 3.49Å
117C94Very high91.6Very high10 Ų1041.2 Ų41.27%0.06822%0.22CC..  trans-72.5146.2175.9-178.60000111.8Y69 R113 P114 P115 I127Y69-C117 HydrophobicContact CE2-CB 3.99Å; Y69-C117 VanDerWaalsContact CE2-SG 3.51Å; R113-C117 HydrophobicContact CB-CB 4.18Å; P114-C117 HydrophobicContact CB-CB 4.47Å; P114-C117 WeakPolarHBondContact O-CB 3.4Å; P114-C117 PolarHBondContact O-N 3.32Å; P115-C117 PolarHBondContact O-N 3.45Å; C117-I127 VanDerWaalsContact CA-O 3.29Å; C117-I127 WeakPolarHBondContact CA-O 3.41Å; C117-I127 PolarHBondContact SG-O 3.27Å
118S94.6Very high91.8Very high25 Ų2536 Ų3618%0.17519%0.187CC..EExtended strand (participates in β ladder)trans-149.2150.3169-73.10000111.5I127 N218S118-I127 PolarHBondContact N-O 2.93Å; S118-I127 PolarHBondContact O-N 3.1Å; S118-N218 PolarHBondContact OG-ND2 3.47Å
119H95.2Very high92.1Very high35 Ų3533.6 Ų33.616%0.16217%0.173CC..EExtended strand (participates in β ladder)trans-86.7122.8177.3-179.192.7000110.1T108 C109 R113 K124 H125T108-H119 WeakPolarHBondContact CB-CE1 3.06Å; T108-H119 PolarHBondContact OG1-NE2 2.82Å; C109-H119 PolarHBondContact SG-ND1 3.45Å; R113-H119 VanDerWaalsContact NH2-CB 3.32Å; H119-K124 PolarHBondContact CE1-O 3.08Å; H119-H125 WeakPolarHBondContact CA-O 3.28Å
120C95.9Very high92.5Very high7 Ų734.7 Ų34.75%0.04718%0.177CC..  trans-88.1119.9173.3-1790000110.1I122 C123 K124 H125 I127 F130 C140C120-I122 PolarHBondContact O-N 3Å; C120-I122 VanDerWaalsContact O-N 3.17Å; C120-I122 PolarHBondContact SG-N 3.31Å; C120-C123 HydrophobicContact CB-CB 3.98Å; C120-C123 PolarHBondContact O-N 3.2Å; C120-C123 PolarHBondContact SG-N 2.8Å; C120-K124 WeakPolarHBondContact O-CA 3.27Å; C120-K124 PolarHBondContact O-N 3.48Å; C120-H125 PolarHBondContact N-O 2.8Å; C120-I127 HydrophobicContact CB-CG1 4.31Å; C120-F130 HydrophobicContact CB-CE2 4.15Å; C120-F130 HydrophobicContact CB-CZ 4.49Å; C120-C140 WeakPolarHBondContact CB-SG 3.28Å; C120-C140 PolarHBondContact SG-SG 3.18Å
121S93.6Very high93Very high83 Ų8332.1 Ų32.158%0.5817%0.166SC*.THydrogen-bonded Turntrans-64.5-15.8177.754.10000114.3K124S121-K124 WeakPolarHBondContact O-CD 3.35Å; S121-K124 VanDerWaalsContact O-CE 3.27Å; S121-K124 WeakPolarHBondContact O-CE 3.39Å; S121-K124 PolarHBondContact O-NZ 3.48Å
122I92.6Very high93.5Very high87 Ų8733.7 Ų33.745%0.44617%0.173SC..THydrogen-bonded Turntrans-90-56.7175-55.7169000110.1C120 K124 H133C120-I122 PolarHBondContact O-N 3Å; C120-I122 VanDerWaalsContact O-N 3.17Å; C120-I122 PolarHBondContact SG-N 3.31Å; I122-K124 PolarHBondContact O-N 3.49Å; I122-K124 VanDerWaalsContact O-N 3.16Å; I122-H133 VanDerWaalsContact CD1-CD2 3.5Å; I122-H133 WeakPolarHBondContact CD1-CD2 3.34Å
123C92Very high94Very high17 Ų1734.1 Ų34.112%0.11518%0.176CC..THydrogen-bonded Turntrans-68.4-9.9178.2-54.10000113.5Y68 C120 H125 I127 H133 C140Y68-C123 HydrophobicContact CE1-CB 3.97Å; C120-C123 HydrophobicContact CB-CB 3.98Å; C120-C123 PolarHBondContact O-N 3.2Å; C120-C123 PolarHBondContact SG-N 2.8Å; C123-H125 PolarHBondContact O-N 3.32Å; C123-H125 PolarHBondContact O-ND1 2.9Å; C123-I127 HydrophobicContact CB-CD1 4.37Å; C123-H133 PolarHBondContact SG-ND1 3.3Å; C123-C140 HydrophobicContact CB-CB 4.4Å; C123-C140 WeakPolarHBondContact CB-SG 3.48Å; C123-C140 WeakPolarHBondContact SG-CB 3.41Å; C123-C140 CovalentContact SG-SG 2.06Å; C123-C140 PolarHBondContact SG-SG 3.03Å
124K92.9Very high94.3Very high129 Ų12932.1 Ų32.156%0.56117%0.17SC*.  trans56.812.1-176.8-59-58-175.4-164.20116.3H119 C120 S121 I122H119-K124 PolarHBondContact CE1-O 3.08Å; C120-K124 WeakPolarHBondContact O-CA 3.27Å; C120-K124 PolarHBondContact O-N 3.48Å; S121-K124 WeakPolarHBondContact O-CD 3.35Å; S121-K124 VanDerWaalsContact O-CE 3.27Å; S121-K124 WeakPolarHBondContact O-CE 3.39Å; S121-K124 PolarHBondContact O-NZ 3.48Å; I122-K124 PolarHBondContact O-N 3.49Å; I122-K124 VanDerWaalsContact O-N 3.16Å
125H91.8Very high94.6Very high69 Ų6934.2 Ų34.232%0.31918%0.184SC..SBendtrans-126.8157.2-176.9-69.983.7000111.9Y68 H119 C120 C123 I127Y68-H125 HydrophobicContact CD1-CB 3.45Å; Y68-H125 VanDerWaalsContact CD1-CB 3.45Å; Y68-H125 HydrophobicContact CE1-CB 3.88Å; Y68-H125 HydrophobicContact CG-CB 4.29Å; H119-H125 WeakPolarHBondContact CA-O 3.28Å; C120-H125 PolarHBondContact N-O 2.8Å; C123-H125 PolarHBondContact O-N 3.32Å; C123-H125 PolarHBondContact O-ND1 2.9Å; H125-I127 HydrophobicContact CB-CD1 4.43Å
126C94.6Very high94.8Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-73.4129.3163.7-81.30000110.3Y69 C106 F111Y69-C126 HydrophobicContact CD2-CB 4.12Å; Y69-C126 HydrophobicContact CG-CB 4.48Å; Y69-C126 PolarHBondContact N-O 2.8Å; C106-C126 PolarHBondContact SG-SG 3.05Å; F111-C126 HydrophobicContact CE1-CB 4.21Å; F111-C126 HydrophobicContact CE2-CB 4.38Å; F111-C126 HydrophobicContact CZ-CB 3.51Å
127I94.8Very high95Very high0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-108.9129.9179.7-34.9-59.2000109.3P66 Y68 C117 S118 C120 C123 H125 F130 C140P66-I127 HydrophobicContact CB-CG2 3.96Å; P66-I127 HydrophobicContact CG-CD1 4.43Å; P66-I127 HydrophobicContact CG-CG2 4.14Å; Y68-I127 HydrophobicContact CD1-CD1 3.44Å; Y68-I127 VanDerWaalsContact CD1-CD1 3.44Å; Y68-I127 HydrophobicContact CE1-CD1 3.34Å; C117-I127 VanDerWaalsContact CA-O 3.29Å; C117-I127 WeakPolarHBondContact CA-O 3.41Å; C117-I127 PolarHBondContact SG-O 3.27Å; S118-I127 PolarHBondContact N-O 2.93Å; S118-I127 PolarHBondContact O-N 3.1Å; C120-I127 HydrophobicContact CB-CG1 4.31Å; C123-I127 HydrophobicContact CB-CD1 4.37Å; H125-I127 HydrophobicContact CB-CD1 4.43Å; I127-F130 HydrophobicContact CB-CB 4.16Å; I127-F130 HydrophobicContact CB-CD2 3.86Å; I127-F130 HydrophobicContact CB-CG 4.45Å; I127-F130 HydrophobicContact CG1-CD2 3.67Å; I127-F130 HydrophobicContact CG1-CE2 4.2Å; I127-F130 HydrophobicContact CG2-CD2 4.38Å; I127-C140 HydrophobicContact CD1-CB 3.97Å; I127-C140 HydrophobicContact CG1-CB 4.12Å
128D94.3Very high95Very high5 Ų539.5 Ų39.53%0.02720%0.201CC..THydrogen-bonded Turntrans-67.9129.1171.6-172.6-11.7000111.3G67 Y69 F130 K143 N253G67-D128 PolarHBondContact O-N 2.98Å; Y69-D128 HydrophobicContact CD2-CB 4.34Å; Y69-D128 HydrophobicContact CE2-CB 3.59Å; D128-F130 PolarHBondContact O-N 3.45Å; D128-K143 HydrophobicContact CB-CB 4.33Å; D128-K143 HydrophobicContact CB-CD 4.27Å; D128-K143 WeakPolarHBondContact O-CB 3.16Å; D128-K143 PolarHBondContact O-N 3.48Å; D128-K143 VanDerWaalsContact OD1-CD 3.26Å; D128-K143 WeakPolarHBondContact OD1-CD 3.39Å; D128-K143 IonicContact OD1-NZ 2.75Å; D128-K143 PolarHBondContact OD1-NZ 2.71Å; D128-K143 WeakPolarHBondContact OD2-CD 3.42Å; D128-K143 WeakPolarHBondContact OD2-CE 3.27Å; D128-K143 IonicContact OD2-NZ 3.95Å; D128-K143 PolarHBondContact OD2-NZ 2.96Å; D128-N253 VanDerWaalsContact CB-ND2 3.29Å; D128-N253 WeakPolarHBondContact CB-ND2 3.29Å; D128-N253 PolarHBondContact OD2-ND2 3.48Å
129T94.6Very high95.1Very high26 Ų2638.8 Ų38.816%0.1620%0.196CC..THydrogen-bonded Turntrans48.857.5-177.3-47.60000111.2R116 D131 G142 T216R116-T129 HydrophobicContact CB-CG2 4.11Å; R116-T129 WeakPolarHBondContact O-CA 3.5Å; T129-D131 PolarHBondContact O-N 3.17Å; T129-G142 WeakPolarHBondContact O-CA 3.22Å; T129-T216 HydrophobicContact CG2-CG2 3.84Å
130F96.9Very high95.2Very high25 Ų2537.1 Ų37.111%0.1119%0.188CC..  trans-63.7129.8-176.4-179.8-110.4000111.2R116 C120 I127 D128 H132 T216 N218R116-F130 PolarHBondContact O-N 3.45Å; C120-F130 HydrophobicContact CB-CE2 4.15Å; C120-F130 HydrophobicContact CB-CZ 4.49Å; I127-F130 HydrophobicContact CB-CB 4.16Å; I127-F130 HydrophobicContact CB-CD2 3.86Å; I127-F130 HydrophobicContact CB-CG 4.45Å; I127-F130 HydrophobicContact CG1-CD2 3.67Å; I127-F130 HydrophobicContact CG1-CE2 4.2Å; I127-F130 HydrophobicContact CG2-CD2 4.38Å; D128-F130 PolarHBondContact O-N 3.45Å; F130-H132 VanDerWaalsContact CE2-C 3.43Å; F130-H132 VanDerWaalsContact CE2-O 3.31Å; F130-H132 WeakPolarHBondContact CE2-O 3.27Å; F130-H132 VanDerWaalsContact CZ-C 3.45Å; F130-T216 PolarHBondContact O-OG1 3.2Å; F130-T216 VanDerWaalsContact O-OG1 3.13Å; F130-N218 HydrophobicContact CD1-CB 3.97Å; F130-N218 HydrophobicContact CE1-CB 4.46Å; F130-N218 WeakPolarHBondContact O-CB 3.14Å
131D97.9Very high95.3Very high2 Ų236.8 Ų36.81%0.01119%0.186CC..  trans-103.7-60.5175.2-165.786000111.5T129 I141 Y146 H207 T216 T217 N218T129-D131 PolarHBondContact O-N 3.17Å; D131-I141 HydrophobicContact CB-CB 4.3Å; D131-I141 HydrophobicContact CB-CG2 3.88Å; D131-I141 PolarHBondContact N-O 3.38Å; D131-Y146 HydrophobicContact CB-CD2 4.08Å; D131-Y146 HydrophobicContact CB-CE2 4.06Å; D131-Y146 WeakPolarHBondContact OD1-CE2 3.32Å; D131-H207 IonicContact OD2-CE1 3.68Å; D131-T216 WeakPolarHBondContact OD1-CA 3.08Å; D131-T216 WeakPolarHBondContact OD1-CB 3.26Å; D131-T217 VanDerWaalsContact CG-OG1 3.31Å; D131-T217 PolarHBondContact OD1-N 3.4Å; D131-T217 PolarHBondContact OD1-OG1 3.35Å; D131-T217 WeakPolarHBondContact OD2-CB 3.42Å; D131-T217 PolarHBondContact OD2-OG1 3.23Å; D131-N218 WeakPolarHBondContact O-CB 3.49Å; D131-N218 PolarHBondContact O-N 2.67Å
132H97.2Very high95.4Very high42 Ų4232.8 Ų32.819%0.19416%0.158CC..EExtended strand (participates in β ladder)trans-162.4178.2173.863.2-81.4000110.5F130 I141 F149F130-H132 VanDerWaalsContact CE2-C 3.43Å; F130-H132 VanDerWaalsContact CE2-O 3.31Å; F130-H132 WeakPolarHBondContact CE2-O 3.27Å; F130-H132 VanDerWaalsContact CZ-C 3.45Å; H132-I141 PolarHBondContact O-N 3.45Å; H132-F149 AromaticContact CE1-CE1 3.8Å; H132-F149 AromaticContact CE1-CZ 3.56Å
133H96.8Very high95.6Very high33 Ų3333.3 Ų33.315%0.15316%0.157CC..EExtended strand (participates in β ladder)trans-106.9130.9162177.588.9000108.6I122 C123 P135 N139 C140I122-H133 VanDerWaalsContact CD1-CD2 3.5Å; I122-H133 WeakPolarHBondContact CD1-CD2 3.34Å; C123-H133 PolarHBondContact SG-ND1 3.3Å; H133-P135 WeakPolarHBondContact O-CD 3.29Å; H133-N139 PolarHBondContact ND1-O 3.34Å; H133-C140 PolarHBondContact ND1-N 2.97Å
134C97Very high95.7Very high11 Ų1133.5 Ų33.57%0.07416%0.155CC..EExtended strand (participates in β ladder)trans-110.4108.3-171.4-173.20000111.2W136 L137 N138 N139 I141C134-W136 VanDerWaalsContact C-N 3.27Å; C134-W136 PolarHBondContact O-N 3.49Å; C134-L137 HydrophobicContact CB-CB 4.16Å; C134-L137 HydrophobicContact CB-CD1 4.04Å; C134-L137 HydrophobicContact CB-CG 4.35Å; C134-L137 CarbonylContact O-C 3.56Å; C134-L137 PolarHBondContact O-N 3.16Å; C134-L137 VanDerWaalsContact O-N 3.1Å; C134-N138 PolarHBondContact O-N 2.81Å; C134-N139 PolarHBondContact N-O 3.46Å; C134-N139 PolarHBondContact O-N 2.91Å; C134-I141 HydrophobicContact CB-CG1 4.26Å
135P95.5Very high95.9Very high63 Ų6327.4 Ų27.441%0.40913%0.129SC..G310 helixtrans-59.8-35.8177-2535.3000113.1P12 A13 H133 L137 N138P12-P135 HydrophobicContact CB-CB 4.18Å; P12-P135 HydrophobicContact CG-CB 4.42Å; A13-P135 PolarHBondContact N-O 3.18Å; H133-P135 WeakPolarHBondContact O-CD 3.29Å; P135-L137 PolarHBondContact O-N 3.11Å; P135-L137 VanDerWaalsContact O-N 3.15Å; P135-N138 PolarHBondContact O-N 3.39Å
136W96.1Very high96.2Very high142 Ų14225 Ų2554%0.53812%0.117SC..G310 helixtrans-65.7-12.4177.4-52.3109.4000114.3P12 A13 I15 A16 C134P12-W136 HydrophobicContact CB-CD2 4.37Å; P12-W136 HydrophobicContact CB-CE3 3.88Å; P12-W136 HydrophobicContact CB-CZ3 4.12Å; A13-W136 WeakPolarHBondContact CA-O 3.2Å; I15-W136 HydrophobicContact CG2-CZ3 4.43Å; A16-W136 HydrophobicContact CB-CB 4.3Å; A16-W136 HydrophobicContact CB-CE3 4.21Å; C134-W136 VanDerWaalsContact C-N 3.27Å; C134-W136 PolarHBondContact O-N 3.49Å
137L95.9Very high96.3Very high3 Ų326.5 Ų26.52%0.01612%0.123CC..G310 helixtrans-115.4-7.7172.6-67.2168.7000112.4F58 A61 T62 C134 P135 N139 I141 F149F58-L137 HydrophobicContact CD2-CD2 3.55Å; F58-L137 HydrophobicContact CE2-CD2 3.28Å; F58-L137 HydrophobicContact CE2-CG 4.28Å; F58-L137 HydrophobicContact CG-CD2 4.5Å; F58-L137 HydrophobicContact CZ-CD2 4.05Å; A61-L137 HydrophobicContact CB-CD1 3.96Å; A61-L137 HydrophobicContact CB-CD2 3.97Å; T62-L137 VanDerWaalsContact OG1-CD2 3.29Å; T62-L137 WeakPolarHBondContact OG1-CD2 3.38Å; C134-L137 HydrophobicContact CB-CB 4.16Å; C134-L137 HydrophobicContact CB-CD1 4.04Å; C134-L137 HydrophobicContact CB-CG 4.35Å; C134-L137 CarbonylContact O-C 3.56Å; C134-L137 PolarHBondContact O-N 3.16Å; C134-L137 VanDerWaalsContact O-N 3.1Å; P135-L137 PolarHBondContact O-N 3.11Å; P135-L137 VanDerWaalsContact O-N 3.15Å; L137-N139 HydrophobicContact CB-CB 4.35Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-N139 VanDerWaalsContact O-N 3.11Å; L137-I141 HydrophobicContact CD1-CD1 3.72Å; L137-F149 HydrophobicContact CD1-CD2 3.91Å; L137-F149 HydrophobicContact CD1-CE2 4.47Å
138N95Very high96.4Very high25 Ų2529 Ų2913%0.13413%0.133CC..THydrogen-bonded Turntrans46.533.3-166.618074.6000112.9F6 S7 A13 C134 P135F6-N138 WeakPolarHBondContact CD1-ND2 3.36Å; F6-N138 HydrophobicContact CE1-CB 4.29Å; F6-N138 WeakPolarHBondContact CE1-ND2 3.36Å; S7-N138 VanDerWaalsContact CB-OD1 3.26Å; S7-N138 WeakPolarHBondContact CB-OD1 3.32Å; S7-N138 PolarHBondContact N-OD1 2.98Å; S7-N138 PolarHBondContact OG-OD1 3.14Å; A13-N138 HydrophobicContact CB-CB 3.86Å; C134-N138 PolarHBondContact O-N 2.81Å; P135-N138 PolarHBondContact O-N 3.39Å
139N95.7Very high96.6Very high10 Ų1029 Ų295%0.05313%0.132CC..EExtended strand (participates in β ladder)trans-140.7153.3-175.1-164.42.8000111.6A61 T62 M64 H133 C134 L137 N145A61-N139 PolarHBondContact O-ND2 2.98Å; T62-N139 PolarHBondContact O-ND2 3.3Å; M64-N139 PolarHBondContact O-ND2 3.39Å; H133-N139 PolarHBondContact ND1-O 3.34Å; C134-N139 PolarHBondContact N-O 3.46Å; C134-N139 PolarHBondContact O-N 2.91Å; L137-N139 HydrophobicContact CB-CB 4.35Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-N139 VanDerWaalsContact O-N 3.11Å; N139-N145 PolarHBondContact ND2-ND2 3.37Å
140C97.2Very high96.8Very high0 Ų027.8 Ų27.80%013%0.125CC..EExtended strand (participates in β ladder)trans-68.5146.3164.7-81.30000110P66 C120 C123 I127 H133 N145P66-C140 HydrophobicContact CB-CB 4.13Å; P66-C140 WeakPolarHBondContact CB-O 3.46Å; P66-C140 HydrophobicContact CG-CB 3.95Å; C120-C140 WeakPolarHBondContact CB-SG 3.28Å; C120-C140 PolarHBondContact SG-SG 3.18Å; C123-C140 HydrophobicContact CB-CB 4.4Å; C123-C140 WeakPolarHBondContact CB-SG 3.48Å; C123-C140 WeakPolarHBondContact SG-CB 3.41Å; C123-C140 CovalentContact SG-SG 2.06Å; C123-C140 PolarHBondContact SG-SG 3.03Å; I127-C140 HydrophobicContact CD1-CB 3.97Å; I127-C140 HydrophobicContact CG1-CB 4.12Å; H133-C140 PolarHBondContact ND1-N 2.97Å; C140-N145 PolarHBondContact O-ND2 3.46Å
141I98Very high96.8Very high0 Ų027.5 Ų27.50%013%0.126CC..EExtended strand (participates in β ladder)trans-105124.4169-61.4-55.8000108.8D131 H132 C134 L137 N145 Y146 F149D131-I141 HydrophobicContact CB-CB 4.3Å; D131-I141 HydrophobicContact CB-CG2 3.88Å; D131-I141 PolarHBondContact N-O 3.38Å; H132-I141 PolarHBondContact O-N 3.45Å; C134-I141 HydrophobicContact CB-CG1 4.26Å; L137-I141 HydrophobicContact CD1-CD1 3.72Å; I141-N145 WeakPolarHBondContact CA-OD1 3.42Å; I141-Y146 HydrophobicContact CG2-CD2 3.73Å; I141-Y146 HydrophobicContact CG2-CG 4.46Å; I141-F149 HydrophobicContact CD1-CB 4Å; I141-F149 HydrophobicContact CD1-CD2 4.17Å; I141-F149 HydrophobicContact CD1-CG 4.06Å; I141-F149 HydrophobicContact CG1-CD2 4.44Å; I141-F149 HydrophobicContact CG1-CG 4.35Å; I141-F149 HydrophobicContact CG2-CD1 4.16Å; I141-F149 HydrophobicContact CG2-CG 4.43Å
142G96.8Very high96.9Very high0 Ų028.4 Ų28.40%013%0.13CC..  trans-153.6-173.2-178.300000112.7P66 T129 R144 N145 Y146P66-G142 CarbonylContact O-C 3.52Å; P66-G142 WeakPolarHBondContact O-CA 3.48Å; T129-G142 WeakPolarHBondContact O-CA 3.22Å; G142-R144 PolarHBondContact O-N 2.99Å; G142-N145 PolarHBondContact N-OD1 3.05Å; G142-N145 PolarHBondContact O-N 3.16Å; G142-N145 VanDerWaalsContact O-N 3.16Å; G142-N145 PolarHBondContact O-OD1 2.98Å; G142-N145 VanDerWaalsContact O-OD1 3.09Å; G142-Y146 WeakPolarHBondContact O-CB 3.5Å; G142-Y146 PolarHBondContact O-N 2.72Å
143K95.7Very high96.9Very high98 Ų9826.6 Ų26.643%0.42612%0.122SC..THydrogen-bonded Turntrans-48.6-34.6-171.3-165.2176177.4172.40115.3P66 D128 P249P66-K143 PolarHBondContact O-N 3.44Å; D128-K143 HydrophobicContact CB-CB 4.33Å; D128-K143 HydrophobicContact CB-CD 4.27Å; D128-K143 WeakPolarHBondContact O-CB 3.16Å; D128-K143 PolarHBondContact O-N 3.48Å; D128-K143 VanDerWaalsContact OD1-CD 3.26Å; D128-K143 WeakPolarHBondContact OD1-CD 3.39Å; D128-K143 IonicContact OD1-NZ 2.75Å; D128-K143 PolarHBondContact OD1-NZ 2.71Å; D128-K143 WeakPolarHBondContact OD2-CD 3.42Å; D128-K143 WeakPolarHBondContact OD2-CE 3.27Å; D128-K143 IonicContact OD2-NZ 3.95Å; D128-K143 PolarHBondContact OD2-NZ 2.96Å; K143-P249 HydrophobicContact CD-CG 4.23Å; K143-P249 HydrophobicContact CG-CG 3.85Å
144R95Very high97Very high21 Ų2127.2 Ų27.28%0.07913%0.126CC..THydrogen-bonded Turntrans-79.6-40.7-176.9-70.1-179.252.774.46.1113.2D65 P66 G142 Q248 P249 P250D65-R144 WeakPolarHBondContact O-CB 3.19Å; D65-R144 WeakPolarHBondContact O-CD 3.36Å; D65-R144 PolarHBondContact O-NE 2.88Å; D65-R144 WeakPolarHBondContact OD1-CD 3.45Å; D65-R144 IonicContact OD1-NE 2.66Å; P66-R144 WeakPolarHBondContact O-CB 3.32Å; P66-R144 PolarHBondContact O-N 3.45Å; G142-R144 PolarHBondContact O-N 2.99Å; R144-Q248 PolarHBondContact O-NE2 3.25Å; R144-P249 HydrophobicContact CG-CB 3.98Å; R144-P249 HydrophobicContact CG-CG 4.02Å; R144-P249 PolarHBondContact NH1-O 3.49Å; R144-P250 WeakPolarHBondContact CD-O 3.49Å; R144-P250 PolarHBondContact NH1-O 2.8Å
145N96.6Very high97.1Very high0 Ų027.9 Ų27.90%013%0.129CC..THydrogen-bonded Turntrans-104.3-13.5-172.468.3-11.9000114.5A61 M64 N139 C140 I141 G142 R147 Y148 F149A61-N145 PolarHBondContact O-ND2 3.11Å; M64-N145 HydrophobicContact CB-CB 4.25Å; N139-N145 PolarHBondContact ND2-ND2 3.37Å; C140-N145 PolarHBondContact O-ND2 3.46Å; I141-N145 WeakPolarHBondContact CA-OD1 3.42Å; G142-N145 PolarHBondContact N-OD1 3.05Å; G142-N145 PolarHBondContact O-N 3.16Å; G142-N145 VanDerWaalsContact O-N 3.16Å; G142-N145 PolarHBondContact O-OD1 2.98Å; G142-N145 VanDerWaalsContact O-OD1 3.09Å; N145-R147 VanDerWaalsContact C-N 3.26Å; N145-R147 PolarHBondContact O-N 3.39Å; N145-R147 VanDerWaalsContact O-N 3.15Å; N145-Y148 PolarHBondContact O-N 2.76Å; N145-F149 PolarHBondContact O-N 2.85Å; N145-F149 VanDerWaalsContact O-N 3.11Å
146Y97.8Very high97.2Very high19 Ų1925.9 Ų25.98%0.07512%0.115CC..Hα-helixtrans-50.2-41.9179.5-168.2-80.9000113.5D131 I141 G142 Y148 F149 F150 H207 V211 I243D131-Y146 HydrophobicContact CB-CD2 4.08Å; D131-Y146 HydrophobicContact CB-CE2 4.06Å; D131-Y146 WeakPolarHBondContact OD1-CE2 3.32Å; I141-Y146 HydrophobicContact CG2-CD2 3.73Å; I141-Y146 HydrophobicContact CG2-CG 4.46Å; G142-Y146 WeakPolarHBondContact O-CB 3.5Å; G142-Y146 PolarHBondContact O-N 2.72Å; Y146-Y148 PolarHBondContact O-N 3.1Å; Y146-F149 PolarHBondContact O-N 3.33Å; Y146-F150 HydrophobicContact CD1-CB 4.27Å; Y146-F150 HydrophobicContact CE1-CB 4.05Å; Y146-F150 HydrophobicContact CE1-CG 4.41Å; Y146-F150 WeakPolarHBondContact O-CB 3.34Å; Y146-F150 PolarHBondContact O-N 3.09Å; Y146-H207 PolarHBondContact OH-ND1 2.86Å; Y146-V211 HydrophobicContact CE1-CG2 3.86Å; Y146-I243 HydrophobicContact CD1-CD1 3.99Å; Y146-I243 HydrophobicContact CD1-CG2 4.05Å; Y146-I243 HydrophobicContact CE1-CD1 4Å; Y146-I243 HydrophobicContact CE1-CG1 4.45Å; Y146-I243 HydrophobicContact CE1-CG2 4.29Å
147R97.1Very high97.3Very high31 Ų3119.5 Ų19.512%0.1179%0.092CC..Hα-helixtrans-57.7-36.6179.374.4175.674.9-143.11.8112.6N145 S151 I243 F244 T246 S247N145-R147 VanDerWaalsContact C-N 3.26Å; N145-R147 PolarHBondContact O-N 3.39Å; N145-R147 VanDerWaalsContact O-N 3.15Å; R147-S151 VanDerWaalsContact O-CB 3.31Å; R147-S151 WeakPolarHBondContact O-CB 3.19Å; R147-S151 PolarHBondContact O-N 3.32Å; R147-S151 PolarHBondContact O-OG 3.27Å; R147-I243 HydrophobicContact CB-CG2 4.46Å; R147-I243 WeakPolarHBondContact CB-O 3.49Å; R147-F244 PolarHBondContact NH1-O 3.4Å; R147-T246 VanDerWaalsContact CZ-O 3.31Å; R147-T246 PolarHBondContact NH1-O 3.48Å; R147-T246 PolarHBondContact NH2-O 2.78Å; R147-T246 PolarHBondContact NH2-OG1 2.89Å; R147-S247 PolarHBondContact NH2-O 2.86Å
148Y97.8Very high97.5Very high53 Ų5323.6 Ų23.621%0.20811%0.113CC..Hα-helixtrans-81.6-37.8-178.7-57.7-63.7000111.1K60 M64 N145 Y146 S151 F152K60-Y148 HydrophobicContact CB-CD1 3.93Å; K60-Y148 HydrophobicContact CB-CD2 3.92Å; K60-Y148 HydrophobicContact CB-CG 3.58Å; K60-Y148 HydrophobicContact CD-CD1 3.75Å; K60-Y148 HydrophobicContact CD-CE1 3.67Å; K60-Y148 HydrophobicContact CD-CG 4.23Å; K60-Y148 HydrophobicContact CG-CD1 4.48Å; M64-Y148 HydrophobicContact CE-CD2 3.93Å; M64-Y148 HydrophobicContact CE-CE2 3.39Å; M64-Y148 HydrophobicContact SD-CD2 4.01Å; M64-Y148 HydrophobicContact SD-CE2 3.64Å; N145-Y148 PolarHBondContact O-N 2.76Å; Y146-Y148 PolarHBondContact O-N 3.1Å; Y148-S151 PolarHBondContact O-N 2.83Å; Y148-F152 WeakPolarHBondContact O-CB 3.35Å; Y148-F152 PolarHBondContact O-N 3.41Å
149F98.3Very high97.6Very high5 Ų522.6 Ų22.62%0.02211%0.108CC..Hα-helixtrans-59.2-47170.3169.2-105.2000112.3A61 H132 L137 I141 N145 Y146 F152 L153 H207A61-F149 HydrophobicContact CB-CB 4.16Å; H132-F149 AromaticContact CE1-CE1 3.8Å; H132-F149 AromaticContact CE1-CZ 3.56Å; L137-F149 HydrophobicContact CD1-CD2 3.91Å; L137-F149 HydrophobicContact CD1-CE2 4.47Å; I141-F149 HydrophobicContact CD1-CB 4Å; I141-F149 HydrophobicContact CD1-CD2 4.17Å; I141-F149 HydrophobicContact CD1-CG 4.06Å; I141-F149 HydrophobicContact CG1-CD2 4.44Å; I141-F149 HydrophobicContact CG1-CG 4.35Å; I141-F149 HydrophobicContact CG2-CD1 4.16Å; I141-F149 HydrophobicContact CG2-CG 4.43Å; N145-F149 PolarHBondContact O-N 2.85Å; N145-F149 VanDerWaalsContact O-N 3.11Å; Y146-F149 PolarHBondContact O-N 3.33Å; F149-F152 WeakPolarHBondContact O-CB 3.42Å; F149-F152 PolarHBondContact O-N 2.88Å; F149-L153 HydrophobicContact CD1-CD1 4.49Å; F149-L153 HydrophobicContact CE1-CD1 3.75Å; F149-L153 HydrophobicContact CE1-CG 4.45Å; F149-L153 HydrophobicContact CE2-CD1 4.17Å; F149-L153 HydrophobicContact CE2-CD2 4.36Å; F149-L153 HydrophobicContact CE2-CG 4.17Å; F149-L153 HydrophobicContact CZ-CD1 3.57Å; F149-L153 HydrophobicContact CZ-CD2 4.47Å; F149-L153 HydrophobicContact CZ-CG 4.08Å; F149-L153 PolarHBondContact O-N 2.85Å; F149-H207 AromaticContact CE1-CE1 3.62Å; F149-H207 AromaticContact CE1-ND1 3.97Å; F149-H207 AromaticContact CE1-NE2 3.6Å; F149-H207 AromaticContact CZ-NE2 3.78Å
150F98.3Very high97.8Very high0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-69.3-39.4177.9-172.5-126.9000112.3Y146 F152 L153 L154 H207 I208 V211 W240 I243 F244Y146-F150 HydrophobicContact CD1-CB 4.27Å; Y146-F150 HydrophobicContact CE1-CB 4.05Å; Y146-F150 HydrophobicContact CE1-CG 4.41Å; Y146-F150 WeakPolarHBondContact O-CB 3.34Å; Y146-F150 PolarHBondContact O-N 3.09Å; F150-F152 VanDerWaalsContact C-N 3.3Å; F150-F152 PolarHBondContact O-N 2.89Å; F150-L153 PolarHBondContact O-N 3.49Å; F150-L154 HydrophobicContact CD1-CD1 4.07Å; F150-L154 HydrophobicContact CD2-CG 4.49Å; F150-L154 HydrophobicContact CE1-CD1 3.77Å; F150-L154 HydrophobicContact CE2-CD1 4.27Å; F150-L154 HydrophobicContact CE2-CD2 4.36Å; F150-L154 HydrophobicContact CE2-CG 4.22Å; F150-L154 HydrophobicContact CG-CD1 4.45Å; F150-L154 HydrophobicContact CZ-CD1 3.88Å; F150-L154 HydrophobicContact CZ-CD2 4.34Å; F150-L154 HydrophobicContact CZ-CG 4.27Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 3.21Å; F150-L154 VanDerWaalsContact O-N 3.08Å; F150-H207 HydrophobicContact CD2-CB 3.93Å; F150-H207 HydrophobicContact CE2-CB 3.91Å; F150-I208 HydrophobicContact CE2-CG1 4.25Å; F150-I208 HydrophobicContact CZ-CG1 4.23Å; F150-V211 HydrophobicContact CD1-CG2 4.18Å; F150-V211 HydrophobicContact CD2-CG2 4.31Å; F150-V211 HydrophobicContact CE1-CB 4.31Å; F150-V211 HydrophobicContact CE1-CG1 4.11Å; F150-V211 HydrophobicContact CE1-CG2 3.93Å; F150-V211 HydrophobicContact CE2-CG2 4.08Å; F150-V211 HydrophobicContact CG-CG2 4.37Å; F150-V211 HydrophobicContact CZ-CB 4.14Å; F150-V211 HydrophobicContact CZ-CG1 4.36Å; F150-V211 HydrophobicContact CZ-CG2 3.88Å; F150-W240 HydrophobicContact CE1-CE3 4.47Å; F150-W240 HydrophobicContact CE1-CH2 4.4Å; F150-W240 HydrophobicContact CE1-CZ3 4.24Å; F150-W240 HydrophobicContact CZ-CH2 4.01Å; F150-W240 HydrophobicContact CZ-CZ2 4.29Å; F150-W240 HydrophobicContact CZ-CZ3 4.3Å; F150-I243 HydrophobicContact CD1-CG2 3.93Å; F150-F244 HydrophobicContact CD1-CE1 4.15Å; F150-F244 HydrophobicContact CD1-CE2 4.04Å; F150-F244 AromaticContact CD1-CZ 3.45Å; F150-F244 HydrophobicContact CD1-CZ 3.45Å; F150-F244 VanDerWaalsContact CD1-CZ 3.45Å; F150-F244 AromaticContact CE1-CE2 3.81Å; F150-F244 HydrophobicContact CE1-CE2 3.81Å; F150-F244 AromaticContact CE1-CZ 3.57Å; F150-F244 HydrophobicContact CE1-CZ 3.57Å
151S98.2Very high97.8Very high19 Ų1926.9 Ų26.913%0.13313%0.13CC..Hα-helixtrans-59.5-41.1171.2-59.30000112R147 Y148 T155R147-S151 VanDerWaalsContact O-CB 3.31Å; R147-S151 WeakPolarHBondContact O-CB 3.19Å; R147-S151 PolarHBondContact O-N 3.32Å; R147-S151 PolarHBondContact O-OG 3.27Å; Y148-S151 PolarHBondContact O-N 2.83Å; S151-T155 WeakPolarHBondContact O-CB 3.37Å; S151-T155 PolarHBondContact O-N 3.47Å; S151-T155 PolarHBondContact O-OG1 2.93Å
152F98.5Very high97.8Very high21 Ų2128.6 Ų28.69%0.09214%0.139CC..Hα-helixtrans-62.8-49.4175.7162-108.2000111.3L20 V54 A57 F58 Y148 F149 F150 L154 T155 L156L20-F152 HydrophobicContact CD2-CE2 4.37Å; V54-F152 HydrophobicContact CG1-CD2 4.06Å; V54-F152 HydrophobicContact CG1-CE2 4.13Å; A57-F152 HydrophobicContact CB-CB 3.82Å; F58-F152 HydrophobicContact CB-CD2 3.63Å; F58-F152 HydrophobicContact CB-CE2 3.73Å; F58-F152 HydrophobicContact CB-CG 4.32Å; F58-F152 HydrophobicContact CD2-CD1 4.05Å; F58-F152 AromaticContact CD2-CD2 3.8Å; F58-F152 HydrophobicContact CD2-CD2 3.8Å; F58-F152 AromaticContact CD2-CE1 3.62Å; F58-F152 HydrophobicContact CD2-CE1 3.62Å; F58-F152 AromaticContact CD2-CE2 3.33Å; F58-F152 HydrophobicContact CD2-CE2 3.33Å; F58-F152 HydrophobicContact CD2-CG 4.12Å; F58-F152 AromaticContact CD2-CZ 3.22Å; F58-F152 HydrophobicContact CD2-CZ 3.22Å; F58-F152 AromaticContact CE2-CE1 3.94Å; F58-F152 HydrophobicContact CE2-CE1 3.94Å; F58-F152 HydrophobicContact CE2-CE2 4.12Å; F58-F152 AromaticContact CE2-CZ 3.58Å; F58-F152 HydrophobicContact CE2-CZ 3.58Å; F58-F152 HydrophobicContact CG-CD2 4.09Å; F58-F152 AromaticContact CG-CE2 3.73Å; F58-F152 HydrophobicContact CG-CE2 3.73Å; F58-F152 HydrophobicContact CG-CZ 4.08Å; Y148-F152 WeakPolarHBondContact O-CB 3.35Å; Y148-F152 PolarHBondContact O-N 3.41Å; F149-F152 WeakPolarHBondContact O-CB 3.42Å; F149-F152 PolarHBondContact O-N 2.88Å; F150-F152 VanDerWaalsContact C-N 3.3Å; F150-F152 PolarHBondContact O-N 2.89Å; F152-L154 PolarHBondContact O-N 2.92Å; F152-T155 PolarHBondContact O-N 3.49Å; F152-L156 HydrophobicContact CD2-CB 4.34Å; F152-L156 HydrophobicContact CE1-CD2 4.29Å; F152-L156 HydrophobicContact CE2-CB 4.13Å; F152-L156 HydrophobicContact CE2-CD2 3.92Å; F152-L156 HydrophobicContact CE2-CG 4.41Å; F152-L156 HydrophobicContact CZ-CD2 3.63Å; F152-L156 WeakPolarHBondContact O-CB 3.2Å; F152-L156 PolarHBondContact O-N 3.3Å
153L98.4Very high97.9Very high5 Ų528.8 Ų28.83%0.02614%0.14CC..Hα-helixtrans-56.9-48.5177.5-74-175.3000112.5F149 F150 T157 L203 T204 H207F149-L153 HydrophobicContact CD1-CD1 4.49Å; F149-L153 HydrophobicContact CE1-CD1 3.75Å; F149-L153 HydrophobicContact CE1-CG 4.45Å; F149-L153 HydrophobicContact CE2-CD1 4.17Å; F149-L153 HydrophobicContact CE2-CD2 4.36Å; F149-L153 HydrophobicContact CE2-CG 4.17Å; F149-L153 HydrophobicContact CZ-CD1 3.57Å; F149-L153 HydrophobicContact CZ-CD2 4.47Å; F149-L153 HydrophobicContact CZ-CG 4.08Å; F149-L153 PolarHBondContact O-N 2.85Å; F150-L153 PolarHBondContact O-N 3.49Å; L153-T157 WeakPolarHBondContact O-CB 3.34Å; L153-T157 PolarHBondContact O-N 3.02Å; L153-T157 PolarHBondContact O-OG1 2.97Å; L153-L203 HydrophobicContact CD1-CD2 4.42Å; L153-L203 HydrophobicContact CD1-CG 4.1Å; L153-L203 HydrophobicContact CD2-CD2 3.78Å; L153-L203 HydrophobicContact CD2-CG 4.17Å; L153-T204 PolarHBondContact O-OG1 3.28Å; L153-H207 HydrophobicContact CD1-CB 4.06Å; L153-H207 VanDerWaalsContact CD1-CD2 3.49Å; L153-H207 WeakPolarHBondContact CD1-CD2 3.35Å
154L98.5Very high98Very high46 Ų4627.3 Ų27.324%0.24113%0.133CC..Hα-helixtrans-62-48.4179.7-69170.8000112.1F150 F152 T157 L158 T204 I208 F244F150-L154 HydrophobicContact CD1-CD1 4.07Å; F150-L154 HydrophobicContact CD2-CG 4.49Å; F150-L154 HydrophobicContact CE1-CD1 3.77Å; F150-L154 HydrophobicContact CE2-CD1 4.27Å; F150-L154 HydrophobicContact CE2-CD2 4.36Å; F150-L154 HydrophobicContact CE2-CG 4.22Å; F150-L154 HydrophobicContact CG-CD1 4.45Å; F150-L154 HydrophobicContact CZ-CD1 3.88Å; F150-L154 HydrophobicContact CZ-CD2 4.34Å; F150-L154 HydrophobicContact CZ-CG 4.27Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 3.21Å; F150-L154 VanDerWaalsContact O-N 3.08Å; F152-L154 PolarHBondContact O-N 2.92Å; L154-T157 PolarHBondContact O-N 2.76Å; L154-L158 PolarHBondContact O-N 3.09Å; L154-T204 HydrophobicContact CD2-CG2 3.95Å; L154-I208 HydrophobicContact CD2-CD1 3.94Å; L154-I208 HydrophobicContact CD2-CG1 4.11Å; L154-F244 HydrophobicContact CD1-CZ 3.84Å
155T98.5Very high98.2Very high24 Ų2427.8 Ų27.815%0.14715%0.145CC..Hα-helixtrans-78.7-29.7-176.154.40000113.5F53 S151 F152 H159F53-T155 HydrophobicContact CD1-CG2 3.7Å; F53-T155 HydrophobicContact CE1-CG2 3.59Å; S151-T155 WeakPolarHBondContact O-CB 3.37Å; S151-T155 PolarHBondContact O-N 3.47Å; S151-T155 PolarHBondContact O-OG1 2.93Å; F152-T155 PolarHBondContact O-N 3.49Å; T155-H159 WeakPolarHBondContact O-CB 3.28Å; T155-H159 PolarHBondContact O-N 3.15Å
156L98.6Very high98.2Very high21 Ų2128.7 Ų28.711%0.1115%0.15CC..Hα-helixtrans-63.1-46167.8178.866.6000110.5L20 V54 F152 L158 H159 M160 V200L20-L156 HydrophobicContact CD1-CD1 3.91Å; V54-L156 HydrophobicContact CG1-CB 4.24Å; V54-L156 HydrophobicContact CG1-CD1 4.14Å; F152-L156 HydrophobicContact CD2-CB 4.34Å; F152-L156 HydrophobicContact CE1-CD2 4.29Å; F152-L156 HydrophobicContact CE2-CB 4.13Å; F152-L156 HydrophobicContact CE2-CD2 3.92Å; F152-L156 HydrophobicContact CE2-CG 4.41Å; F152-L156 HydrophobicContact CZ-CD2 3.63Å; F152-L156 WeakPolarHBondContact O-CB 3.2Å; F152-L156 PolarHBondContact O-N 3.3Å; L156-L158 PolarHBondContact O-N 3.47Å; L156-H159 PolarHBondContact O-N 3.15Å; L156-M160 HydrophobicContact CD1-CG 4Å; L156-M160 HydrophobicContact CD1-SD 3.88Å; L156-M160 HydrophobicContact CD2-SD 4.17Å; L156-M160 HydrophobicContact CG-CG 4.24Å; L156-M160 HydrophobicContact CG-SD 3.73Å; L156-M160 WeakPolarHBondContact O-CB 3.48Å; L156-M160 VanDerWaalsContact O-CG 3.27Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 2.95Å; L156-V200 HydrophobicContact CD2-CG1 3.95Å; L156-V200 HydrophobicContact CD2-CG2 4.35Å; L156-V200 HydrophobicContact CG-CG1 4.26Å
157T98.6Very high98.2Very high9 Ų927.8 Ų27.86%0.05515%0.147CC..Hα-helixtrans-61.3-45178.9-570000111L153 L154 M160 I161 L201 T204L153-T157 WeakPolarHBondContact O-CB 3.34Å; L153-T157 PolarHBondContact O-N 3.02Å; L153-T157 PolarHBondContact O-OG1 2.97Å; L154-T157 PolarHBondContact O-N 2.76Å; T157-M160 PolarHBondContact O-N 2.98Å; T157-I161 HydrophobicContact CG2-CD1 3.95Å; T157-I161 VanDerWaalsContact O-CG1 3.27Å; T157-I161 WeakPolarHBondContact O-CG1 3.49Å; T157-I161 PolarHBondContact O-N 2.99Å; T157-L201 HydrophobicContact CG2-CD1 3.7Å; T157-T204 WeakPolarHBondContact OG1-CB 3.29Å; T157-T204 PolarHBondContact OG1-OG1 3.47Å
158L98.5Very high98.2Very high88 Ų8829.6 Ų29.646%0.46116%0.157SC..Hα-helixtrans-59.6-48.3173.9179.761.5000111.9L154 L156 M160 I161 I162L154-L158 PolarHBondContact O-N 3.09Å; L156-L158 PolarHBondContact O-N 3.47Å; L158-M160 PolarHBondContact O-N 2.97Å; L158-I161 PolarHBondContact O-N 3.01Å; L158-I162 HydrophobicContact CD1-CD1 3.82Å; L158-I162 HydrophobicContact CD1-CG1 4.33Å; L158-I162 HydrophobicContact CG-CD1 3.86Å; L158-I162 WeakPolarHBondContact O-CB 3.39Å; L158-I162 VanDerWaalsContact O-CG1 3.26Å; L158-I162 WeakPolarHBondContact O-CG1 3.16Å; L158-I162 PolarHBondContact O-N 3.39Å
159H98.6Very high98.1Very high4 Ų430 Ų302%0.01917%0.166CC..Hα-helixtrans-59.3-44.1177.4179.466.7000112T24 L50 V54 T155 L156 I162 V163T24-H159 VanDerWaalsContact CG2-CE1 3.45Å; T24-H159 WeakPolarHBondContact CG2-CE1 3.25Å; T24-H159 VanDerWaalsContact CG2-NE2 3.34Å; T24-H159 WeakPolarHBondContact CG2-NE2 3.32Å; T24-H159 PolarHBondContact OG1-NE2 3.42Å; L50-H159 HydrophobicContact CD2-CB 4Å; L50-H159 HydrophobicContact CG-CB 4.23Å; V54-H159 HydrophobicContact CG2-CB 4.21Å; T155-H159 WeakPolarHBondContact O-CB 3.28Å; T155-H159 PolarHBondContact O-N 3.15Å; L156-H159 PolarHBondContact O-N 3.15Å; H159-I162 PolarHBondContact O-N 3.38Å; H159-V163 WeakPolarHBondContact O-CB 3.18Å; H159-V163 VanDerWaalsContact O-CG2 3.25Å; H159-V163 WeakPolarHBondContact O-CG2 3.12Å; H159-V163 PolarHBondContact O-N 3.03Å
160M98.5Very high98Very high16 Ų1629.9 Ų29.98%0.07917%0.165CC..Hα-helixtrans-68.9-38.9179.1-70.1177.976.200112.8L156 T157 L158 I162 V163 F164 V193 L196 L197 V200L156-M160 HydrophobicContact CD1-CG 4Å; L156-M160 HydrophobicContact CD1-SD 3.88Å; L156-M160 HydrophobicContact CD2-SD 4.17Å; L156-M160 HydrophobicContact CG-CG 4.24Å; L156-M160 HydrophobicContact CG-SD 3.73Å; L156-M160 WeakPolarHBondContact O-CB 3.48Å; L156-M160 VanDerWaalsContact O-CG 3.27Å; L156-M160 WeakPolarHBondContact O-CG 3.31Å; L156-M160 PolarHBondContact O-N 2.95Å; T157-M160 PolarHBondContact O-N 2.98Å; L158-M160 PolarHBondContact O-N 2.97Å; M160-I162 VanDerWaalsContact C-N 3.33Å; M160-V163 PolarHBondContact O-N 3.44Å; M160-F164 WeakPolarHBondContact O-CB 3.4Å; M160-F164 PolarHBondContact O-N 3.04Å; M160-V193 HydrophobicContact CB-CG1 4.13Å; M160-V193 HydrophobicContact CE-CG1 4.23Å; M160-V193 HydrophobicContact CG-CG1 4.4Å; M160-L196 VanDerWaalsContact CE-C 3.47Å; M160-L196 HydrophobicContact CE-CB 3.52Å; M160-L197 HydrophobicContact CB-CD1 3.95Å; M160-L197 HydrophobicContact CE-CB 4.1Å; M160-V200 HydrophobicContact SD-CB 4.27Å; M160-V200 HydrophobicContact SD-CG1 4.06Å; M160-V200 HydrophobicContact SD-CG2 4.2Å
161I98.5Very high98Very high84 Ų8430.7 Ų30.743%0.43117%0.17SC..Hα-helixtrans-61.4-44.5172.6-70.6166.7000110.3T157 L158 G165 L197T157-I161 HydrophobicContact CG2-CD1 3.95Å; T157-I161 VanDerWaalsContact O-CG1 3.27Å; T157-I161 WeakPolarHBondContact O-CG1 3.49Å; T157-I161 PolarHBondContact O-N 2.99Å; L158-I161 PolarHBondContact O-N 3.01Å; I161-G165 PolarHBondContact O-N 2.85Å; I161-L197 HydrophobicContact CG1-CD1 4Å; I161-L197 HydrophobicContact CG1-CD2 4.25Å
162I98Very high97.9Very high37 Ų3735 Ų3519%0.1919%0.191CC..Hα-helixtrans-64.4-48.9177.9-73.4171.2000111.1H47 L50 L158 H159 M160 F164 G165 V166H47-I162 WeakPolarHBondContact CE1-CG2 3.39Å; L50-I162 HydrophobicContact CD2-CD1 3.93Å; L158-I162 HydrophobicContact CD1-CD1 3.82Å; L158-I162 HydrophobicContact CD1-CG1 4.33Å; L158-I162 HydrophobicContact CG-CD1 3.86Å; L158-I162 WeakPolarHBondContact O-CB 3.39Å; L158-I162 VanDerWaalsContact O-CG1 3.26Å; L158-I162 WeakPolarHBondContact O-CG1 3.16Å; L158-I162 PolarHBondContact O-N 3.39Å; H159-I162 PolarHBondContact O-N 3.38Å; M160-I162 VanDerWaalsContact C-N 3.33Å; I162-F164 VanDerWaalsContact C-N 3.35Å; I162-F164 PolarHBondContact O-N 3.22Å; I162-G165 PolarHBondContact O-N 3.48Å; I162-V166 HydrophobicContact CG2-CG2 4.48Å; I162-V166 WeakPolarHBondContact O-CB 3.49Å; I162-V166 VanDerWaalsContact O-CG2 3.3Å; I162-V166 WeakPolarHBondContact O-CG2 3.41Å; I162-V166 PolarHBondContact O-N 2.59Å
163V98.2Very high97.8Very high4 Ų438.9 Ų38.92%0.02421%0.211CC..Hα-helixtrans-60.9-42.6177.8167.10000111.2Y27 H159 M160 S167 V189 V193Y27-V163 HydrophobicContact CD1-CG2 3.81Å; Y27-V163 HydrophobicContact CD2-CB 4.22Å; Y27-V163 HydrophobicContact CD2-CG1 3.72Å; Y27-V163 HydrophobicContact CD2-CG2 4.03Å; Y27-V163 HydrophobicContact CE1-CG2 4.06Å; Y27-V163 HydrophobicContact CE2-CB 4.47Å; Y27-V163 HydrophobicContact CE2-CG1 4.39Å; Y27-V163 HydrophobicContact CE2-CG2 4.26Å; Y27-V163 HydrophobicContact CG-CB 4.43Å; Y27-V163 HydrophobicContact CG-CG1 3.94Å; Y27-V163 HydrophobicContact CG-CG2 3.82Å; H159-V163 WeakPolarHBondContact O-CB 3.18Å; H159-V163 VanDerWaalsContact O-CG2 3.25Å; H159-V163 WeakPolarHBondContact O-CG2 3.12Å; H159-V163 PolarHBondContact O-N 3.03Å; M160-V163 PolarHBondContact O-N 3.44Å; V163-S167 WeakPolarHBondContact O-CB 3.22Å; V163-S167 PolarHBondContact O-N 3.43Å; V163-S167 PolarHBondContact O-OG 2.98Å; V163-V189 HydrophobicContact CG1-CG1 4.01Å; V163-V193 HydrophobicContact CG1-CB 4.49Å; V163-V193 HydrophobicContact CG1-CG1 4.2Å; V163-V193 HydrophobicContact CG1-CG2 3.94Å
164F98.3Very high97.6Very high66 Ų6640.1 Ų40.129%0.28922%0.215SC..Hα-helixtrans-62-50.8175.6-176.9-88000111.3M160 I162 V166 S167 M168 L190 V193M160-F164 WeakPolarHBondContact O-CB 3.4Å; M160-F164 PolarHBondContact O-N 3.04Å; I162-F164 VanDerWaalsContact C-N 3.35Å; I162-F164 PolarHBondContact O-N 3.22Å; F164-V166 PolarHBondContact O-N 2.98Å; F164-S167 PolarHBondContact O-N 3.23Å; F164-M168 HydrophobicContact CE1-CE 4.12Å; F164-M168 HydrophobicContact CZ-CE 3.92Å; F164-M168 WeakPolarHBondContact O-CB 3.31Å; F164-M168 PolarHBondContact O-N 3.39Å; F164-L190 HydrophobicContact CD1-CD1 4.35Å; F164-L190 HydrophobicContact CD2-CD1 3.51Å; F164-L190 HydrophobicContact CE1-CD1 4.36Å; F164-L190 HydrophobicContact CE2-CD1 3.52Å; F164-L190 HydrophobicContact CE2-CG 4.27Å; F164-L190 HydrophobicContact CG-CD1 3.94Å; F164-L190 HydrophobicContact CZ-CD1 3.97Å; F164-L190 WeakPolarHBondContact O-CD1 3.47Å; F164-V193 HydrophobicContact CB-CG1 4.29Å
165G97.7Very high97.4Very high32 Ų3241.6 Ų41.633%0.3323%0.226SC..Hα-helixtrans-60.7-44.8-179.900000113.1I161 I162 M168 T169I161-G165 PolarHBondContact O-N 2.85Å; I162-G165 PolarHBondContact O-N 3.48Å; G165-M168 PolarHBondContact O-N 3.46Å; G165-T169 PolarHBondContact O-N 2.82Å; G165-T169 PolarHBondContact O-OG1 3.43Å; G165-T169 VanDerWaalsContact O-OG1 3.09Å
166V97.1Very high97.3Very high18 Ų1848.1 Ų48.111%0.10926%0.26CS..Hα-helixtrans-70.4-39.5178.9178.10000111.6Y27 I31 F43 I162 F164 M168 T169 Y170Y27-V166 HydrophobicContact CE2-CB 3.98Å; Y27-V166 HydrophobicContact CE2-CG1 3.9Å; Y27-V166 WeakPolarHBondContact OH-CG1 3.34Å; I31-V166 HydrophobicContact CG2-CG1 4.37Å; F43-V166 HydrophobicContact CE1-CG1 4.16Å; F43-V166 HydrophobicContact CE1-CG2 4.45Å; F43-V166 HydrophobicContact CZ-CG1 4.1Å; F43-V166 HydrophobicContact CZ-CG2 3.71Å; I162-V166 HydrophobicContact CG2-CG2 4.48Å; I162-V166 WeakPolarHBondContact O-CB 3.49Å; I162-V166 VanDerWaalsContact O-CG2 3.3Å; I162-V166 WeakPolarHBondContact O-CG2 3.41Å; I162-V166 PolarHBondContact O-N 2.59Å; F164-V166 PolarHBondContact O-N 2.98Å; V166-M168 VanDerWaalsContact C-N 3.33Å; V166-M168 PolarHBondContact O-N 2.91Å; V166-T169 PolarHBondContact O-N 3.4Å; V166-Y170 VanDerWaalsContact O-CB 3.25Å; V166-Y170 WeakPolarHBondContact O-CB 3.47Å; V166-Y170 PolarHBondContact O-N 3.12Å
167S97.2Very high97.1Very high0 Ų051.7 Ų51.70%028%0.276CS..Hα-helixtrans-66-36.5175.9-53.30000111.6I31 V163 F164 V171I31-S167 WeakPolarHBondContact CD1-OG 3.48Å; V163-S167 WeakPolarHBondContact O-CB 3.22Å; V163-S167 PolarHBondContact O-N 3.43Å; V163-S167 PolarHBondContact O-OG 2.98Å; F164-S167 PolarHBondContact O-N 3.23Å; S167-V171 WeakPolarHBondContact O-CG2 3.01Å; S167-V171 PolarHBondContact O-N 2.9Å; S167-V171 VanDerWaalsContact O-N 3.11Å
168M97.6Very high96.9Very high69 Ų6955.8 Ų55.834%0.3430%0.297SS..Hα-helixtrans-63-52.5173-176.966.180.300110.9F164 G165 V166 Y170 V171 L172 L190F164-M168 HydrophobicContact CE1-CE 4.12Å; F164-M168 HydrophobicContact CZ-CE 3.92Å; F164-M168 WeakPolarHBondContact O-CB 3.31Å; F164-M168 PolarHBondContact O-N 3.39Å; G165-M168 PolarHBondContact O-N 3.46Å; V166-M168 VanDerWaalsContact C-N 3.33Å; V166-M168 PolarHBondContact O-N 2.91Å; M168-Y170 VanDerWaalsContact C-N 3.3Å; M168-Y170 PolarHBondContact O-N 3.37Å; M168-V171 PolarHBondContact O-N 2.81Å; M168-L172 HydrophobicContact CG-CD1 3.83Å; M168-L172 HydrophobicContact CG-CG 4.38Å; M168-L172 WeakPolarHBondContact O-CB 3.2Å; M168-L172 VanDerWaalsContact O-CG 3.32Å; M168-L172 WeakPolarHBondContact O-CG 3.44Å; M168-L172 PolarHBondContact O-N 2.06Å; M168-L172 HydrophobicContact SD-CD1 4.21Å; M168-L172 HydrophobicContact SD-CG 4.33Å; M168-L190 HydrophobicContact CB-CD1 4Å; M168-L190 HydrophobicContact CB-CD2 4.48Å; M168-L190 HydrophobicContact CE-CD1 4.21Å; M168-L190 HydrophobicContact CE-CD2 3.96Å; M168-L190 HydrophobicContact SD-CD2 3.95Å
169T96.7Very high96.8Very high63 Ų6356.8 Ų56.839%0.38731%0.312SS..Hα-helixtrans-57.2-42.4176.9-62.30000112F35 G165 V166 V171 L172 M173F35-T169 HydrophobicContact CE2-CG2 4.16Å; G165-T169 PolarHBondContact O-N 2.82Å; G165-T169 PolarHBondContact O-OG1 3.43Å; G165-T169 VanDerWaalsContact O-OG1 3.09Å; V166-T169 PolarHBondContact O-N 3.4Å; T169-V171 PolarHBondContact O-N 3.08Å; T169-L172 PolarHBondContact O-N 3.19Å; T169-M173 HydrophobicContact CG2-CG 4.33Å; T169-M173 HydrophobicContact CG2-SD 3.82Å; T169-M173 WeakPolarHBondContact O-CB 3.27Å; T169-M173 VanDerWaalsContact O-CG 3.32Å; T169-M173 WeakPolarHBondContact O-CG 3.33Å; T169-M173 PolarHBondContact O-N 3.46Å
170Y96.2Very high96.7Very high1 Ų159.8 Ų59.80%0.00433%0.326CS..Hα-helixtrans-60.5-41.7177.7-176-89.3000113.1F30 I31 D34 V166 M168 R174 K182 V183 A186F30-Y170 PolarHBondContact O-OH 2.96Å; I31-Y170 HydrophobicContact CG2-CD1 4.24Å; I31-Y170 HydrophobicContact CG2-CD2 3.78Å; I31-Y170 HydrophobicContact CG2-CE2 4.33Å; I31-Y170 HydrophobicContact CG2-CG 3.71Å; D34-Y170 HydrophobicContact CB-CE2 4.11Å; D34-Y170 PolarHBondContact OD2-OH 3.33Å; V166-Y170 VanDerWaalsContact O-CB 3.25Å; V166-Y170 WeakPolarHBondContact O-CB 3.47Å; V166-Y170 PolarHBondContact O-N 3.12Å; M168-Y170 VanDerWaalsContact C-N 3.3Å; M168-Y170 PolarHBondContact O-N 3.37Å; Y170-R174 VanDerWaalsContact CZ-NH1 3.28Å; Y170-R174 WeakPolarHBondContact O-CG 3.39Å; Y170-R174 PolarHBondContact OH-NH1 3.36Å; Y170-K182 HydrophobicContact CE1-CB 4.45Å; Y170-K182 VanDerWaalsContact OH-CB 3.24Å; Y170-K182 WeakPolarHBondContact OH-CB 3.41Å; Y170-K182 WeakPolarHBondContact OH-CD 3.38Å; Y170-V183 HydrophobicContact CE1-CG2 4.39Å; Y170-A186 HydrophobicContact CD1-CB 3.49Å; Y170-A186 VanDerWaalsContact CD1-CB 3.49Å; Y170-A186 HydrophobicContact CE1-CB 3.77Å
171V96.8Very high96.5Very high18 Ų1865.2 Ų65.211%0.10935%0.346CS..Hα-helixtrans-70.6-42.7175.3173.60000110.8S167 M168 T169 M173 R174 T175 V183 A186 I187S167-V171 WeakPolarHBondContact O-CG2 3.01Å; S167-V171 PolarHBondContact O-N 2.9Å; S167-V171 VanDerWaalsContact O-N 3.11Å; M168-V171 PolarHBondContact O-N 2.81Å; T169-V171 PolarHBondContact O-N 3.08Å; V171-M173 VanDerWaalsContact C-N 3.34Å; V171-M173 PolarHBondContact O-N 3.42Å; V171-R174 CarbonylContact O-C 3.15Å; V171-R174 PolarHBondContact O-N 2.87Å; V171-T175 PolarHBondContact O-N 3.48Å; V171-V183 HydrophobicContact CG1-CG1 4.49Å; V171-V183 HydrophobicContact CG2-CG1 4.32Å; V171-A186 HydrophobicContact CG2-CB 3.82Å; V171-I187 HydrophobicContact CG1-CD1 4.43Å; V171-I187 HydrophobicContact CG1-CG1 4.07Å; V171-I187 HydrophobicContact CG2-CG1 3.79Å
172L96.8Very high96.4Very high108 Ų10863.1 Ų63.157%0.56533%0.334SS*.Hα-helixtrans-65.2-33.2179.5-70.7174.2000113.4M168 T169 R174 T175M168-L172 HydrophobicContact CG-CD1 3.83Å; M168-L172 HydrophobicContact CG-CG 4.38Å; M168-L172 WeakPolarHBondContact O-CB 3.2Å; M168-L172 VanDerWaalsContact O-CG 3.32Å; M168-L172 WeakPolarHBondContact O-CG 3.44Å; M168-L172 PolarHBondContact O-N 2.06Å; M168-L172 HydrophobicContact SD-CD1 4.21Å; M168-L172 HydrophobicContact SD-CG 4.33Å; T169-L172 PolarHBondContact O-N 3.19Å; L172-R174 PolarHBondContact O-N 3.46Å; L172-T175 WeakPolarHBondContact O-CG2 3.33Å
173M95.6Very high96.4Very high104 Ų10461.3 Ų61.351%0.51233%0.325SS..THydrogen-bonded Turntrans-71.3-16173.2-74.5173.864.500113.4F35 T169 V171F35-M173 HydrophobicContact CE2-SD 3.91Å; T169-M173 HydrophobicContact CG2-CG 4.33Å; T169-M173 HydrophobicContact CG2-SD 3.82Å; T169-M173 WeakPolarHBondContact O-CB 3.27Å; T169-M173 VanDerWaalsContact O-CG 3.32Å; T169-M173 WeakPolarHBondContact O-CG 3.33Å; T169-M173 PolarHBondContact O-N 3.46Å; V171-M173 VanDerWaalsContact C-N 3.34Å; V171-M173 PolarHBondContact O-N 3.42Å
174R94.7Very high96.3Very high30 Ų3065.7 Ų65.711%0.11335%0.347CS..THydrogen-bonded Turntrans-128.433.5-169.1-59.3-178.1-177.8-168.41112.1D34 E38 Y170 V171 L172 N176 E177 V183D34-R174 IonicContact OD2-CZ 3.61Å; D34-R174 IonicContact OD2-NH1 2.83Å; D34-R174 PolarHBondContact OD2-NH1 3.46Å; D34-R174 IonicContact OD2-NH2 3.39Å; D34-R174 PolarHBondContact OD2-NH2 3.17Å; E38-R174 IonicContact OE1-CZ 3.79Å; E38-R174 IonicContact OE1-NH2 2.63Å; E38-R174 PolarHBondContact OE1-NH2 3.47Å; Y170-R174 VanDerWaalsContact CZ-NH1 3.28Å; Y170-R174 WeakPolarHBondContact O-CG 3.39Å; Y170-R174 PolarHBondContact OH-NH1 3.36Å; V171-R174 CarbonylContact O-C 3.15Å; V171-R174 PolarHBondContact O-N 2.87Å; L172-R174 PolarHBondContact O-N 3.46Å; R174-N176 PolarHBondContact O-N 3.49Å; R174-N176 VanDerWaalsContact O-N 3.16Å; R174-E177 PolarHBondContact O-N 2.87Å; R174-V183 HydrophobicContact CB-CG2 4Å
175T95.4Very high96.3Very high77 Ų7764.6 Ų64.647%0.47234%0.344SS..THydrogen-bonded Turntrans-64.9-9.717744.70000114.9V171 L172 L178V171-T175 PolarHBondContact O-N 3.48Å; L172-T175 WeakPolarHBondContact O-CG2 3.33Å; T175-L178 WeakPolarHBondContact O-CD1 3.21Å
176N95.8Very high96.3Very high161 Ų16163.1 Ų63.186%0.86133%0.328SS*.THydrogen-bonded Turntrans-89.7-7.6169.4-63.1-35.3000112.9R174R174-N176 PolarHBondContact O-N 3.49Å; R174-N176 VanDerWaalsContact O-N 3.16Å
177E94.3Very high96.3Very high97 Ų9764.7 Ų64.745%0.45334%0.335SS..  trans-128.527.9-168.1-62.4-177.9-164.500113.3R174 S179 H180R174-E177 PolarHBondContact O-N 2.87Å; E177-S179 PolarHBondContact O-N 3.26Å; E177-H180 HydrophobicContact CB-CB 4.27Å; E177-H180 VanDerWaalsContact O-CB 3.28Å; E177-H180 WeakPolarHBondContact O-CB 3.48Å; E177-H180 PolarHBondContact O-N 3.11Å
178L95.1Very high96.3Very high94 Ų9466.5 Ų66.549%0.49235%0.354SS..THydrogen-bonded Turntrans-57.2-24.7-176.3-66.6106.4000114.4T175 H180 I184 I187T175-L178 WeakPolarHBondContact O-CD1 3.21Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-I184 VanDerWaalsContact O-CG1 3.32Å; L178-I184 WeakPolarHBondContact O-CG1 3.29Å; L178-I187 HydrophobicContact CD2-CD1 4.25Å
179S95.5Very high96.3Very high109 Ų10963.3 Ų63.376%0.76234%0.339SS*.THydrogen-bonded Turntrans-76.6-12.2175.5550000114E177E177-S179 PolarHBondContact O-N 3.26Å
180H95.8Very high96.4Very high68 Ų6861.3 Ų61.332%0.31533%0.326SS..SBendtrans-75.9130.5-179.5-172.5-101.3000110.8E177 L178 K182 V183 I184E177-H180 HydrophobicContact CB-CB 4.27Å; E177-H180 VanDerWaalsContact O-CB 3.28Å; E177-H180 WeakPolarHBondContact O-CB 3.48Å; E177-H180 PolarHBondContact O-N 3.11Å; L178-H180 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.34Å; H180-V183 HydrophobicContact CB-CG2 4.4Å; H180-V183 WeakPolarHBondContact O-CA 3.49Å; H180-V183 WeakPolarHBondContact O-CB 3.39Å; H180-V183 PolarHBondContact O-N 2.94Å; H180-I184 PolarHBondContact O-N 3.43Å; H180-I184 VanDerWaalsContact O-N 3.14Å
181Y96.2Very high96.5Very high130 Ų13066 Ų6651%0.5135%0.35SS..Hα-helixtrans-53.9-35-168.970.4-86.2000114.4F30 V183 I184 I185F30-Y181 HydrophobicContact CD1-CE2 4.38Å; F30-Y181 HydrophobicContact CE1-CE2 4.28Å; Y181-V183 VanDerWaalsContact C-N 3.34Å; Y181-V183 PolarHBondContact O-N 3.45Å; Y181-I184 PolarHBondContact O-N 2.85Å; Y181-I185 HydrophobicContact CD2-CD1 4.21Å; Y181-I185 VanDerWaalsContact O-CG1 3.29Å; Y181-I185 WeakPolarHBondContact O-CG1 3.33Å; Y181-I185 PolarHBondContact O-N 3.05Å
182K96Very high96.5Very high39 Ų3968.3 Ų68.317%0.1736%0.361CS..Hα-helixtrans-64.3-37.2175.7-57.3-177.9-168.31670112.4D34 Y170 H180 I185 A186D34-K182 IonicContact OD1-NZ 2.82Å; D34-K182 PolarHBondContact OD1-NZ 3.29Å; D34-K182 WeakPolarHBondContact OD2-CD 3.29Å; D34-K182 IonicContact OD2-NZ 2.79Å; D34-K182 PolarHBondContact OD2-NZ 2.83Å; Y170-K182 HydrophobicContact CE1-CB 4.45Å; Y170-K182 VanDerWaalsContact OH-CB 3.24Å; Y170-K182 WeakPolarHBondContact OH-CB 3.41Å; Y170-K182 WeakPolarHBondContact OH-CD 3.38Å; H180-K182 PolarHBondContact O-N 3.34Å; K182-I185 PolarHBondContact O-N 2.82Å; K182-A186 WeakPolarHBondContact O-CB 3.21Å; K182-A186 PolarHBondContact O-N 3.39Å
183V96.6Very high96.6Very high0 Ų063.5 Ų63.50%034%0.336CS..Hα-helixtrans-72.6-39178.7-173.80000109.8Y170 V171 R174 H180 Y181 I185 A186 I187Y170-V183 HydrophobicContact CE1-CG2 4.39Å; V171-V183 HydrophobicContact CG1-CG1 4.49Å; V171-V183 HydrophobicContact CG2-CG1 4.32Å; R174-V183 HydrophobicContact CB-CG2 4Å; H180-V183 HydrophobicContact CB-CG2 4.4Å; H180-V183 WeakPolarHBondContact O-CA 3.49Å; H180-V183 WeakPolarHBondContact O-CB 3.39Å; H180-V183 PolarHBondContact O-N 2.94Å; Y181-V183 VanDerWaalsContact C-N 3.34Å; Y181-V183 PolarHBondContact O-N 3.45Å; V183-I185 PolarHBondContact O-N 3.43Å; V183-A186 PolarHBondContact O-N 2.93Å; V183-A186 VanDerWaalsContact O-N 3.16Å; V183-I187 HydrophobicContact CG1-CD1 4.13Å; V183-I187 VanDerWaalsContact O-CG1 3.3Å; V183-I187 WeakPolarHBondContact O-CG1 3.37Å; V183-I187 PolarHBondContact O-N 3.03Å
184I97.6Very high96.7Very high96 Ų9659.7 Ų59.749%0.49232%0.323SS..Hα-helixtrans-59.3-45.3171.5-59.4175.4000110.9L178 H180 Y181 I187 G188L178-I184 VanDerWaalsContact O-CG1 3.32Å; L178-I184 WeakPolarHBondContact O-CG1 3.29Å; H180-I184 PolarHBondContact O-N 3.43Å; H180-I184 VanDerWaalsContact O-N 3.14Å; Y181-I184 PolarHBondContact O-N 2.85Å; I184-I187 PolarHBondContact O-N 2.7Å; I184-G188 PolarHBondContact O-N 3.01Å
185I97.3Very high96.8Very high43 Ų4364 Ų6422%0.22135%0.348CS..Hα-helixtrans-61.8-42.9174-68.7165.1000110.9F30 Y181 K182 V183 I187 G188 V189F30-I185 HydrophobicContact CB-CG2 4.04Å; F30-I185 HydrophobicContact CD1-CD1 3.85Å; F30-I185 HydrophobicContact CD2-CD1 4.05Å; F30-I185 HydrophobicContact CD2-CG2 3.95Å; F30-I185 HydrophobicContact CE1-CD1 3.92Å; F30-I185 HydrophobicContact CE2-CD1 4.12Å; F30-I185 HydrophobicContact CG-CD1 3.92Å; F30-I185 HydrophobicContact CG-CG2 4.1Å; F30-I185 HydrophobicContact CZ-CD1 4.05Å; Y181-I185 HydrophobicContact CD2-CD1 4.21Å; Y181-I185 VanDerWaalsContact O-CG1 3.29Å; Y181-I185 WeakPolarHBondContact O-CG1 3.33Å; Y181-I185 PolarHBondContact O-N 3.05Å; K182-I185 PolarHBondContact O-N 2.82Å; V183-I185 PolarHBondContact O-N 3.43Å; I185-I187 PolarHBondContact O-N 3.28Å; I185-G188 PolarHBondContact O-N 3.3Å; I185-V189 HydrophobicContact CG2-CG2 4.37Å; I185-V189 WeakPolarHBondContact O-CG2 3.22Å; I185-V189 PolarHBondContact O-N 3.16Å
186A97.4Very high96.9Very high0 Ų063 Ų630%034%0.339CS..Hα-helixtrans-63.4-39.317800000112.9I31 Y170 V171 K182 V183 V189 L190I31-A186 HydrophobicContact CD1-CB 3.82Å; I31-A186 HydrophobicContact CG1-CB 4.07Å; Y170-A186 HydrophobicContact CD1-CB 3.49Å; Y170-A186 VanDerWaalsContact CD1-CB 3.49Å; Y170-A186 HydrophobicContact CE1-CB 3.77Å; V171-A186 HydrophobicContact CG2-CB 3.82Å; K182-A186 WeakPolarHBondContact O-CB 3.21Å; K182-A186 PolarHBondContact O-N 3.39Å; V183-A186 PolarHBondContact O-N 2.93Å; V183-A186 VanDerWaalsContact O-N 3.16Å; A186-V189 PolarHBondContact O-N 3.13Å; A186-L190 WeakPolarHBondContact O-CB 3.38Å; A186-L190 PolarHBondContact O-N 3.2Å
187I97.8Very high97Very high51 Ų5156.5 Ų56.526%0.26230%0.304SS..Hα-helixtrans-63.6-44.4172.8-68.3163.9000110.5V171 L178 V183 I184 I185 L190 I191V171-I187 HydrophobicContact CG1-CD1 4.43Å; V171-I187 HydrophobicContact CG1-CG1 4.07Å; V171-I187 HydrophobicContact CG2-CG1 3.79Å; L178-I187 HydrophobicContact CD2-CD1 4.25Å; V183-I187 HydrophobicContact CG1-CD1 4.13Å; V183-I187 VanDerWaalsContact O-CG1 3.3Å; V183-I187 WeakPolarHBondContact O-CG1 3.37Å; V183-I187 PolarHBondContact O-N 3.03Å; I184-I187 PolarHBondContact O-N 2.7Å; I185-I187 PolarHBondContact O-N 3.28Å; I187-L190 PolarHBondContact O-N 3.19Å; I187-I191 HydrophobicContact CG2-CD1 3.75Å; I187-I191 HydrophobicContact CG2-CG1 4.45Å; I187-I191 VanDerWaalsContact O-CG1 3.3Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.3Å
188G97.8Very high97.1Very high39 Ų3957.6 Ų57.640%0.40231%0.313SS..Hα-helixtrans-61.2-44.7176.200000113.3I184 I185 L192I184-G188 PolarHBondContact O-N 3.01Å; I185-G188 PolarHBondContact O-N 3.3Å; G188-L192 WeakPolarHBondContact O-CB 3.41Å; G188-L192 PolarHBondContact O-N 3.02Å; G188-L192 VanDerWaalsContact O-N 3.09Å
189V98Very high97.3Very high2 Ų257 Ų571%0.01232%0.315CS..Hα-helixtrans-62.8-45.7173.6170.30000110.8L26 I31 V163 I185 A186 I191 L192 V193L26-V189 HydrophobicContact CB-CG2 3.94Å; L26-V189 HydrophobicContact CD1-CG2 4.28Å; I31-V189 HydrophobicContact CD1-CB 4.04Å; I31-V189 HydrophobicContact CD1-CG1 4.04Å; I31-V189 HydrophobicContact CD1-CG2 4.27Å; V163-V189 HydrophobicContact CG1-CG1 4.01Å; I185-V189 HydrophobicContact CG2-CG2 4.37Å; I185-V189 WeakPolarHBondContact O-CG2 3.22Å; I185-V189 PolarHBondContact O-N 3.16Å; A186-V189 PolarHBondContact O-N 3.13Å; V189-I191 PolarHBondContact O-N 2.94Å; V189-L192 PolarHBondContact O-N 3.41Å; V189-V193 HydrophobicContact CG1-CG2 4.04Å; V189-V193 VanDerWaalsContact O-CB 3.24Å; V189-V193 WeakPolarHBondContact O-CB 3.37Å; V189-V193 VanDerWaalsContact O-CG2 3.25Å; V189-V193 WeakPolarHBondContact O-CG2 3.38Å; V189-V193 PolarHBondContact O-N 3.42Å
190L97.6Very high97.4Very high21 Ų2153.1 Ų53.111%0.1129%0.286CS..Hα-helixtrans-60.2-46.6-179.6-179.665.3000112.2F164 M168 A186 I187 G194F164-L190 HydrophobicContact CD1-CD1 4.35Å; F164-L190 HydrophobicContact CD2-CD1 3.51Å; F164-L190 HydrophobicContact CE1-CD1 4.36Å; F164-L190 HydrophobicContact CE2-CD1 3.52Å; F164-L190 HydrophobicContact CE2-CG 4.27Å; F164-L190 HydrophobicContact CG-CD1 3.94Å; F164-L190 HydrophobicContact CZ-CD1 3.97Å; F164-L190 WeakPolarHBondContact O-CD1 3.47Å; M168-L190 HydrophobicContact CB-CD1 4Å; M168-L190 HydrophobicContact CB-CD2 4.48Å; M168-L190 HydrophobicContact CE-CD1 4.21Å; M168-L190 HydrophobicContact CE-CD2 3.96Å; M168-L190 HydrophobicContact SD-CD2 3.95Å; A186-L190 WeakPolarHBondContact O-CB 3.38Å; A186-L190 PolarHBondContact O-N 3.2Å; I187-L190 PolarHBondContact O-N 3.19Å; L190-G194 PolarHBondContact O-N 3.16Å
191I98.1Very high97.5Very high100 Ų10054 Ų5451%0.51329%0.293SS..Hα-helixtrans-62.9-51.8177.6-68.9167.2000110.3I187 V189 G194 L195I187-I191 HydrophobicContact CG2-CD1 3.75Å; I187-I191 HydrophobicContact CG2-CG1 4.45Å; I187-I191 VanDerWaalsContact O-CG1 3.3Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.3Å; V189-I191 PolarHBondContact O-N 2.94Å; I191-G194 PolarHBondContact O-N 3.44Å; I191-L195 HydrophobicContact CG2-CD1 3.97Å; I191-L195 WeakPolarHBondContact O-CG 3.3Å; I191-L195 PolarHBondContact O-N 3.06Å
192L98Very high97.6Very high65 Ų6550 Ų5034%0.3429%0.292SS..Hα-helixtrans-70.7-38.4-173.8-176.550.5000112.5L23 G188 V189 L196L23-L192 HydrophobicContact CD1-CD2 3.91Å; L23-L192 HydrophobicContact CD1-CG 3.87Å; L23-L192 HydrophobicContact CD2-CD2 3.59Å; L23-L192 HydrophobicContact CD2-CG 4.3Å; L23-L192 HydrophobicContact CG-CD2 4.38Å; G188-L192 WeakPolarHBondContact O-CB 3.41Å; G188-L192 PolarHBondContact O-N 3.02Å; G188-L192 VanDerWaalsContact O-N 3.09Å; V189-L192 PolarHBondContact O-N 3.41Å; L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.21Å; L192-L196 HydrophobicContact CG-CD1 4.17Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.87Å
193V98.3Very high97.7Very high8 Ų851.8 Ų51.85%0.04830%0.302CS..Hα-helixtrans-67-39172.3174.40000110.8M160 V163 F164 V189 L196 L197M160-V193 HydrophobicContact CB-CG1 4.13Å; M160-V193 HydrophobicContact CE-CG1 4.23Å; M160-V193 HydrophobicContact CG-CG1 4.4Å; V163-V193 HydrophobicContact CG1-CB 4.49Å; V163-V193 HydrophobicContact CG1-CG1 4.2Å; V163-V193 HydrophobicContact CG1-CG2 3.94Å; F164-V193 HydrophobicContact CB-CG1 4.29Å; V189-V193 HydrophobicContact CG1-CG2 4.04Å; V189-V193 VanDerWaalsContact O-CB 3.24Å; V189-V193 WeakPolarHBondContact O-CB 3.37Å; V189-V193 VanDerWaalsContact O-CG2 3.25Å; V189-V193 WeakPolarHBondContact O-CG2 3.38Å; V189-V193 PolarHBondContact O-N 3.42Å; V193-L196 PolarHBondContact O-N 2.65Å; V193-L197 WeakPolarHBondContact O-CB 3.39Å; V193-L197 PolarHBondContact O-N 3.37Å
194G97.3Very high97.8Very high23 Ų2352 Ų5224%0.23730%0.304CS..Hα-helixtrans-61-45.4174.900000113.3L190 I191 L197L190-G194 PolarHBondContact O-N 3.16Å; I191-G194 PolarHBondContact O-N 3.44Å; G194-L197 PolarHBondContact O-N 3.43Å
195L97.8Very high97.8Very high121 Ų12149.2 Ų49.263%0.63430%0.299SS*.Hα-helixtrans-63.5-40.6176.1-71.8171.2000112.5I191 P199I191-L195 HydrophobicContact CG2-CD1 3.97Å; I191-L195 WeakPolarHBondContact O-CG 3.3Å; I191-L195 PolarHBondContact O-N 3.06Å; L195-P199 VanDerWaalsContact O-CD 3.29Å; L195-P199 WeakPolarHBondContact O-CD 3.42Å
196L97.6Very high97.8Very high56 Ų5650.7 Ų50.729%0.29330%0.304SS..Hα-helixtrans-76.1-26.7178-67.8170.8000112.8L23 M160 L192 V193 P199 V200L23-L196 HydrophobicContact CD1-CD1 3.86Å; M160-L196 VanDerWaalsContact CE-C 3.47Å; M160-L196 HydrophobicContact CE-CB 3.52Å; L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.21Å; L192-L196 HydrophobicContact CG-CD1 4.17Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.87Å; V193-L196 PolarHBondContact O-N 2.65Å; L196-P199 WeakPolarHBondContact O-CD 3.05Å; L196-P199 WeakPolarHBondContact O-CG 3.36Å; L196-V200 VanDerWaalsContact O-CG2 3.29Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 3.32Å
197L97.7Very high97.9Very high24 Ų2450.8 Ų50.813%0.12630%0.304CS..Hα-helixtrans-66.2-39-177.5175.359.7000111.9M160 I161 V193 G194 V200 L201M160-L197 HydrophobicContact CB-CD1 3.95Å; M160-L197 HydrophobicContact CE-CB 4.1Å; I161-L197 HydrophobicContact CG1-CD1 4Å; I161-L197 HydrophobicContact CG1-CD2 4.25Å; V193-L197 WeakPolarHBondContact O-CB 3.39Å; V193-L197 PolarHBondContact O-N 3.37Å; G194-L197 PolarHBondContact O-N 3.43Å; L197-V200 PolarHBondContact O-N 2.96Å; L197-L201 HydrophobicContact CD1-CB 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.38Å; L197-L201 PolarHBondContact O-N 3.47Å
198L96.7Very high97.9Very high120 Ų12051.3 Ų51.363%0.62831%0.307SS*.Hα-helixtrans-56.7-54.7-178.4179.961.9000113.6G202L198-G202 PolarHBondContact O-N 3.22Å; L198-G202 VanDerWaalsContact O-N 3.16Å
199P97.6Very high97.9Very high83 Ų8353.9 Ų53.954%0.53931%0.307SS..Hα-helixtrans-68.2-34.4177.126.2-34.5000113.2L195 L196 G202 L203L195-P199 VanDerWaalsContact O-CD 3.29Å; L195-P199 WeakPolarHBondContact O-CD 3.42Å; L196-P199 WeakPolarHBondContact O-CD 3.05Å; L196-P199 WeakPolarHBondContact O-CG 3.36Å; P199-G202 PolarHBondContact O-N 2.9Å; P199-L203 WeakPolarHBondContact O-CB 3.49Å; P199-L203 PolarHBondContact O-N 3.37Å
200V98.1Very high97.8Very high27 Ų2753.8 Ų53.816%0.16431%0.307CS..Hα-helixtrans-67.1-42.7178.2170.90000111.4L156 M160 L196 L197 L203 T204L156-V200 HydrophobicContact CD2-CG1 3.95Å; L156-V200 HydrophobicContact CD2-CG2 4.35Å; L156-V200 HydrophobicContact CG-CG1 4.26Å; M160-V200 HydrophobicContact SD-CB 4.27Å; M160-V200 HydrophobicContact SD-CG1 4.06Å; M160-V200 HydrophobicContact SD-CG2 4.2Å; L196-V200 VanDerWaalsContact O-CG2 3.29Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 3.32Å; L197-V200 PolarHBondContact O-N 2.96Å; V200-L203 PolarHBondContact O-N 3.23Å; V200-T204 WeakPolarHBondContact O-CB 3.46Å; V200-T204 PolarHBondContact O-N 3.39Å; V200-T204 PolarHBondContact O-OG1 2.88Å
201L97.9Very high97.8Very high86 Ų8653 Ų5345%0.4530%0.302SS..Hα-helixtrans-63.7-42.1176.3-178.462.5000111.3T157 L197 T204 G205T157-L201 HydrophobicContact CG2-CD1 3.7Å; L197-L201 HydrophobicContact CD1-CB 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.38Å; L197-L201 PolarHBondContact O-N 3.47Å; L201-T204 PolarHBondContact O-N 3Å; L201-G205 PolarHBondContact O-N 3.46Å
202G97.9Very high97.7Very high47 Ų4749.4 Ų49.449%0.48529%0.286SS..Hα-helixtrans-61.3-45.8174.200000113L198 P199 G205 F206L198-G202 PolarHBondContact O-N 3.22Å; L198-G202 VanDerWaalsContact O-N 3.16Å; P199-G202 PolarHBondContact O-N 2.9Å; G202-G205 PolarHBondContact O-N 3.35Å; G202-F206 PolarHBondContact O-N 3.34Å
203L97.9Very high97.6Very high75 Ų7549 Ų4939%0.39328%0.282SS..Hα-helixtrans-63.3-41.7176.4-178.461.7000112L153 P199 V200 F206 H207L153-L203 HydrophobicContact CD1-CD2 4.42Å; L153-L203 HydrophobicContact CD1-CG 4.1Å; L153-L203 HydrophobicContact CD2-CD2 3.78Å; L153-L203 HydrophobicContact CD2-CG 4.17Å; P199-L203 WeakPolarHBondContact O-CB 3.49Å; P199-L203 PolarHBondContact O-N 3.37Å; V200-L203 PolarHBondContact O-N 3.23Å; L203-F206 PolarHBondContact O-N 3.47Å; L203-H207 PolarHBondContact O-CD2 3.44Å; L203-H207 PolarHBondContact O-N 3.05Å
204T98.5Very high97.4Very high5 Ų549.1 Ų49.13%0.03129%0.285CS..Hα-helixtrans-65.4-42.5176.9-63.30000111.7L153 L154 T157 V200 L201 F206 H207 I208L153-T204 PolarHBondContact O-OG1 3.28Å; L154-T204 HydrophobicContact CD2-CG2 3.95Å; T157-T204 WeakPolarHBondContact OG1-CB 3.29Å; T157-T204 PolarHBondContact OG1-OG1 3.47Å; V200-T204 WeakPolarHBondContact O-CB 3.46Å; V200-T204 PolarHBondContact O-N 3.39Å; V200-T204 PolarHBondContact O-OG1 2.88Å; L201-T204 PolarHBondContact O-N 3Å; T204-F206 VanDerWaalsContact C-N 3.35Å; T204-F206 PolarHBondContact O-N 3.34Å; T204-H207 PolarHBondContact O-N 2.89Å; T204-I208 HydrophobicContact CG2-CD1 3.99Å; T204-I208 WeakPolarHBondContact O-CB 3.29Å; T204-I208 VanDerWaalsContact O-CG1 3.29Å; T204-I208 WeakPolarHBondContact O-CG1 3.44Å; T204-I208 PolarHBondContact O-N 3.49Å
205G98.4Very high97.3Very high38 Ų3849.4 Ų49.439%0.39228%0.279SS..Hα-helixtrans-60.4-41.3172.800000113L201 G202 I208 F209L201-G205 PolarHBondContact O-N 3.46Å; G202-G205 PolarHBondContact O-N 3.35Å; G205-I208 WeakPolarHBondContact O-CB 3.28Å; G205-I208 PolarHBondContact O-N 2.79Å; G205-F209 PolarHBondContact O-N 3.12Å
206F98.2Very high97.2Very high73 Ų7344 Ų4432%0.3225%0.251SS..Hα-helixtrans-63.2-45.5174.9176-111.3000112.4G202 L203 T204 F209 L210 T217G202-F206 PolarHBondContact O-N 3.34Å; L203-F206 PolarHBondContact O-N 3.47Å; T204-F206 VanDerWaalsContact C-N 3.35Å; T204-F206 PolarHBondContact O-N 3.34Å; F206-F209 WeakPolarHBondContact O-CB 3.42Å; F206-F209 PolarHBondContact O-N 2.87Å; F206-L210 HydrophobicContact CD1-CD1 3.97Å; F206-L210 HydrophobicContact CE1-CD1 3.42Å; F206-L210 VanDerWaalsContact CE1-CD1 3.42Å; F206-L210 HydrophobicContact CE1-CG 4.14Å; F206-L210 HydrophobicContact CE2-CD1 4.35Å; F206-L210 HydrophobicContact CE2-CD2 4.32Å; F206-L210 HydrophobicContact CE2-CG 4.22Å; F206-L210 HydrophobicContact CZ-CD1 3.65Å; F206-L210 HydrophobicContact CZ-CD2 4.13Å; F206-L210 HydrophobicContact CZ-CG 3.99Å; F206-L210 WeakPolarHBondContact O-CG 3.48Å; F206-L210 PolarHBondContact O-N 2.99Å; F206-T217 HydrophobicContact CE1-CG2 3.94Å; F206-T217 HydrophobicContact CZ-CG2 4.23Å
207H98.3Very high97.2Very high2 Ų242.3 Ų42.31%0.00924%0.243CC..Hα-helixtrans-68.8-32.9176.2-81.9-74.4000113.2D131 Y146 F149 F150 L153 L203 T204 F209 L210 V211 T217D131-H207 IonicContact OD2-CE1 3.68Å; Y146-H207 PolarHBondContact OH-ND1 2.86Å; F149-H207 AromaticContact CE1-CE1 3.62Å; F149-H207 AromaticContact CE1-ND1 3.97Å; F149-H207 AromaticContact CE1-NE2 3.6Å; F149-H207 AromaticContact CZ-NE2 3.78Å; F150-H207 HydrophobicContact CD2-CB 3.93Å; F150-H207 HydrophobicContact CE2-CB 3.91Å; L153-H207 HydrophobicContact CD1-CB 4.06Å; L153-H207 VanDerWaalsContact CD1-CD2 3.49Å; L153-H207 WeakPolarHBondContact CD1-CD2 3.35Å; L203-H207 PolarHBondContact O-CD2 3.44Å; L203-H207 PolarHBondContact O-N 3.05Å; T204-H207 PolarHBondContact O-N 2.89Å; H207-F209 VanDerWaalsContact C-N 3.32Å; H207-F209 PolarHBondContact O-N 3.24Å; H207-L210 PolarHBondContact O-N 2.96Å; H207-V211 WeakPolarHBondContact O-CB 3.28Å; H207-V211 WeakPolarHBondContact O-CG2 3.44Å; H207-V211 PolarHBondContact O-N 3.15Å; H207-T217 PolarHBondContact CE1-OG1 3.14Å
208I98.5Very high97.1Very high62 Ų6242.7 Ų42.732%0.31825%0.245SC..Hα-helixtrans-58.1-43.9169.7-79.7168.4000111F150 L154 T204 G205 S212 W240F150-I208 HydrophobicContact CE2-CG1 4.25Å; F150-I208 HydrophobicContact CZ-CG1 4.23Å; L154-I208 HydrophobicContact CD2-CD1 3.94Å; L154-I208 HydrophobicContact CD2-CG1 4.11Å; T204-I208 HydrophobicContact CG2-CD1 3.99Å; T204-I208 WeakPolarHBondContact O-CB 3.29Å; T204-I208 VanDerWaalsContact O-CG1 3.29Å; T204-I208 WeakPolarHBondContact O-CG1 3.44Å; T204-I208 PolarHBondContact O-N 3.49Å; G205-I208 WeakPolarHBondContact O-CB 3.28Å; G205-I208 PolarHBondContact O-N 2.79Å; I208-S212 VanDerWaalsContact O-CB 3.28Å; I208-S212 WeakPolarHBondContact O-CB 3.35Å; I208-S212 PolarHBondContact O-N 2.95Å; I208-S212 PolarHBondContact O-OG 2.65Å; I208-W240 HydrophobicContact CB-CZ2 4.49Å; I208-W240 HydrophobicContact CG1-CH2 4.11Å; I208-W240 HydrophobicContact CG1-CZ2 4.18Å; I208-W240 HydrophobicContact CG2-CZ2 4.2Å
209F97.2Very high97Very high93 Ų9337.2 Ų37.241%0.40822%0.216SC..Hα-helixtrans-63.6-50.3174.2166.3-97.1000112.1G205 F206 H207 V211 S212 K213G205-F209 PolarHBondContact O-N 3.12Å; F206-F209 WeakPolarHBondContact O-CB 3.42Å; F206-F209 PolarHBondContact O-N 2.87Å; H207-F209 VanDerWaalsContact C-N 3.32Å; H207-F209 PolarHBondContact O-N 3.24Å; F209-V211 PolarHBondContact O-N 3.09Å; F209-S212 PolarHBondContact O-N 3.15Å; F209-K213 HydrophobicContact CE2-CG 4.12Å; F209-K213 HydrophobicContact CZ-CG 4.28Å; F209-K213 PolarHBondContact O-N 3.16Å
210L96.9Very high96.8Very high0 Ų036.1 Ų36.10%020%0.204CC..Hα-helixtrans-57.6-48.5179.9-73.8-179.9000112.5F206 H207 S212 K213 G214 R215 T217 Q220F206-L210 HydrophobicContact CD1-CD1 3.97Å; F206-L210 HydrophobicContact CE1-CD1 3.42Å; F206-L210 VanDerWaalsContact CE1-CD1 3.42Å; F206-L210 HydrophobicContact CE1-CG 4.14Å; F206-L210 HydrophobicContact CE2-CD1 4.35Å; F206-L210 HydrophobicContact CE2-CD2 4.32Å; F206-L210 HydrophobicContact CE2-CG 4.22Å; F206-L210 HydrophobicContact CZ-CD1 3.65Å; F206-L210 HydrophobicContact CZ-CD2 4.13Å; F206-L210 HydrophobicContact CZ-CG 3.99Å; F206-L210 WeakPolarHBondContact O-CG 3.48Å; F206-L210 PolarHBondContact O-N 2.99Å; H207-L210 PolarHBondContact O-N 2.96Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3Å; L210-K213 CarbonylContact O-C 3.39Å; L210-K213 PolarHBondContact O-N 3.04Å; L210-G214 PolarHBondContact O-N 2.92Å; L210-R215 HydrophobicContact CD2-CB 4.09Å; L210-R215 PolarHBondContact O-N 3.23Å; L210-T217 VanDerWaalsContact CD1-OG1 3.29Å; L210-T217 WeakPolarHBondContact CD1-OG1 3.4Å; L210-Q220 HydrophobicContact CD2-CB 3.63Å; L210-Q220 HydrophobicContact CD2-CG 3.9Å
211V97.4Very high96.6Very high4 Ų440.1 Ų40.12%0.02423%0.229CC..Hα-helixtrans-62.5-42177.2171.10000110.4Y146 F150 H207 F209 K213 G214 N239 W240 I243Y146-V211 HydrophobicContact CE1-CG2 3.86Å; F150-V211 HydrophobicContact CD1-CG2 4.18Å; F150-V211 HydrophobicContact CD2-CG2 4.31Å; F150-V211 HydrophobicContact CE1-CB 4.31Å; F150-V211 HydrophobicContact CE1-CG1 4.11Å; F150-V211 HydrophobicContact CE1-CG2 3.93Å; F150-V211 HydrophobicContact CE2-CG2 4.08Å; F150-V211 HydrophobicContact CG-CG2 4.37Å; F150-V211 HydrophobicContact CZ-CB 4.14Å; F150-V211 HydrophobicContact CZ-CG1 4.36Å; F150-V211 HydrophobicContact CZ-CG2 3.88Å; H207-V211 WeakPolarHBondContact O-CB 3.28Å; H207-V211 WeakPolarHBondContact O-CG2 3.44Å; H207-V211 PolarHBondContact O-N 3.15Å; F209-V211 PolarHBondContact O-N 3.09Å; V211-K213 VanDerWaalsContact C-N 3.33Å; V211-K213 PolarHBondContact O-N 2.78Å; V211-G214 PolarHBondContact O-N 2.96Å; V211-G214 VanDerWaalsContact O-N 3.08Å; V211-N239 WeakPolarHBondContact O-CB 3.35Å; V211-W240 HydrophobicContact CG1-CD2 4.23Å; V211-W240 HydrophobicContact CG1-CG 4Å; V211-I243 HydrophobicContact CG1-CG1 3.78Å; V211-I243 HydrophobicContact CG2-CG1 4.13Å
212S96.5Very high96.3Very high25 Ų2539.9 Ų39.918%0.17523%0.231CC..Hα-helixtrans-62.8-36.9179-59.20000113I208 F209 L210 N239 W240I208-S212 VanDerWaalsContact O-CB 3.28Å; I208-S212 WeakPolarHBondContact O-CB 3.35Å; I208-S212 PolarHBondContact O-N 2.95Å; I208-S212 PolarHBondContact O-OG 2.65Å; F209-S212 PolarHBondContact O-N 3.15Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3Å; S212-N239 PolarHBondContact O-ND2 2.88Å; S212-W240 PolarHBondContact OG-NE1 2.79Å
213K94.3Very high95.8Very high56 Ų5640.6 Ų40.624%0.24323%0.228CC..THydrogen-bonded Turntrans-86.80.8173.6-83.7-80.5-169.8168.20114.5F209 L210 V211 R215 D228 N230F209-K213 HydrophobicContact CE2-CG 4.12Å; F209-K213 HydrophobicContact CZ-CG 4.28Å; F209-K213 PolarHBondContact O-N 3.16Å; L210-K213 CarbonylContact O-C 3.39Å; L210-K213 PolarHBondContact O-N 3.04Å; V211-K213 VanDerWaalsContact C-N 3.33Å; V211-K213 PolarHBondContact O-N 2.78Å; K213-R215 VanDerWaalsContact C-N 3.33Å; K213-R215 HydrophobicContact CB-CG 4.37Å; K213-R215 PolarHBondContact O-N 3Å; K213-D228 IonicContact NZ-OD1 3.37Å; K213-D228 PolarHBondContact NZ-OD1 3.35Å; K213-D228 IonicContact NZ-OD2 2.68Å; K213-D228 PolarHBondContact NZ-OD2 3.08Å; K213-N230 PolarHBondContact O-ND2 3.29Å
214G94.9Very high95.1Very high12 Ų1240.4 Ų40.412%0.12422%0.224CC..THydrogen-bonded Turntrans66.222.3179.900000116R116 L210 V211 N230 N239R116-G214 PolarHBondContact NH2-O 2.97Å; L210-G214 PolarHBondContact O-N 2.92Å; V211-G214 PolarHBondContact O-N 2.96Å; V211-G214 VanDerWaalsContact O-N 3.08Å; G214-N230 VanDerWaalsContact C-ND2 3.34Å; G214-N230 PolarHBondContact O-ND2 2.88Å; G214-N230 VanDerWaalsContact O-ND2 3.15Å; G214-N239 PolarHBondContact N-ND2 3.43Å
215R95.1Very high94.4Very high29 Ų2941 Ų4111%0.10923%0.226CC..  trans-102.4157.1-175.5-66.3-178.5-176.8160.86.9112.5L210 K213 D228 N230L210-R215 HydrophobicContact CD2-CB 4.09Å; L210-R215 PolarHBondContact O-N 3.23Å; K213-R215 VanDerWaalsContact C-N 3.33Å; K213-R215 HydrophobicContact CB-CG 4.37Å; K213-R215 PolarHBondContact O-N 3Å; R215-D228 IonicContact CZ-OD1 3.59Å; R215-D228 IonicContact NH1-OD1 3.29Å; R215-D228 IonicContact NH2-OD1 3.74Å; R215-D228 PolarHBondContact NH2-OD1 2.93Å; R215-N230 WeakPolarHBondContact CG-ND2 3.38Å
216T96.3Very high93Very high6 Ų644.7 Ų44.74%0.03724%0.237CC..  trans-92.8160.9161.673.90000111.8T129 F130 D131 N218 E219 Q220T129-T216 HydrophobicContact CG2-CG2 3.84Å; F130-T216 PolarHBondContact O-OG1 3.2Å; F130-T216 VanDerWaalsContact O-OG1 3.13Å; D131-T216 WeakPolarHBondContact OD1-CA 3.08Å; D131-T216 WeakPolarHBondContact OD1-CB 3.26Å; T216-N218 VanDerWaalsContact C-N 3.31Å; T216-N218 PolarHBondContact O-N 3.32Å; T216-E219 PolarHBondContact N-OE2 3.03Å; T216-E219 PolarHBondContact O-N 3.17Å; T216-E219 VanDerWaalsContact O-N 3.13Å; T216-E219 WeakPolarHBondContact OG1-CG 3.38Å; T216-E219 PolarHBondContact OG1-N 2.87Å; T216-Q220 PolarHBondContact O-N 3.2Å
217T97Very high91.5Very high22 Ų2248.7 Ų48.714%0.13526%0.26CS..Hα-helixtrans-54.8-47.4172.3-54.90000110.8D131 F206 H207 L210 E219 Q220 V221D131-T217 VanDerWaalsContact CG-OG1 3.31Å; D131-T217 PolarHBondContact OD1-N 3.4Å; D131-T217 PolarHBondContact OD1-OG1 3.35Å; D131-T217 WeakPolarHBondContact OD2-CB 3.42Å; D131-T217 PolarHBondContact OD2-OG1 3.23Å; F206-T217 HydrophobicContact CE1-CG2 3.94Å; F206-T217 HydrophobicContact CZ-CG2 4.23Å; H207-T217 PolarHBondContact CE1-OG1 3.14Å; L210-T217 VanDerWaalsContact CD1-OG1 3.29Å; L210-T217 WeakPolarHBondContact CD1-OG1 3.4Å; T217-E219 VanDerWaalsContact C-N 3.33Å; T217-E219 PolarHBondContact O-N 2.95Å; T217-Q220 PolarHBondContact O-N 3.2Å; T217-V221 HydrophobicContact CG2-CG2 4.16Å; T217-V221 WeakPolarHBondContact O-CB 3.38Å; T217-V221 WeakPolarHBondContact O-CG2 3.47Å; T217-V221 PolarHBondContact O-N 3.13Å
218N95.4Very high89.9Confident32 Ų3253.1 Ų53.117%0.17128%0.284CS..Hα-helixtrans-54.1-45.6174.1-17946.4000112.4S118 F130 D131 T216 V221 T222S118-N218 PolarHBondContact OG-ND2 3.47Å; F130-N218 HydrophobicContact CD1-CB 3.97Å; F130-N218 HydrophobicContact CE1-CB 4.46Å; F130-N218 WeakPolarHBondContact O-CB 3.14Å; D131-N218 WeakPolarHBondContact O-CB 3.49Å; D131-N218 PolarHBondContact O-N 2.67Å; T216-N218 VanDerWaalsContact C-N 3.31Å; T216-N218 PolarHBondContact O-N 3.32Å; N218-V221 PolarHBondContact O-N 3.01Å; N218-T222 VanDerWaalsContact O-CB 3.29Å; N218-T222 WeakPolarHBondContact O-CB 3.33Å; N218-T222 WeakPolarHBondContact O-CG2 3.44Å; N218-T222 PolarHBondContact O-N 2.76Å; N218-T222 PolarHBondContact O-OG1 2.94Å
219E94.6Very high89Confident4 Ų456 Ų562%0.01930%0.298CS..Hα-helixtrans-68.7-34.4179.8-69.7167159.500113.1R116 T216 T217 S223 K224 Y225R116-E219 VanDerWaalsContact CG-OE1 3.31Å; R116-E219 WeakPolarHBondContact CG-OE1 3.29Å; R116-E219 IonicContact CZ-OE1 3.66Å; R116-E219 IonicContact CZ-OE2 3.45Å; R116-E219 IonicContact NE-OE1 2.83Å; R116-E219 PolarHBondContact NE-OE1 3.48Å; R116-E219 IonicContact NE-OE2 3.4Å; R116-E219 PolarHBondContact NE-OE2 2.85Å; R116-E219 IonicContact NH2-OE1 3.66Å; R116-E219 IonicContact NH2-OE2 2.67Å; R116-E219 PolarHBondContact NH2-OE2 2.62Å; T216-E219 PolarHBondContact N-OE2 3.03Å; T216-E219 PolarHBondContact O-N 3.17Å; T216-E219 VanDerWaalsContact O-N 3.13Å; T216-E219 WeakPolarHBondContact OG1-CG 3.38Å; T216-E219 PolarHBondContact OG1-N 2.87Å; T217-E219 VanDerWaalsContact C-N 3.33Å; T217-E219 PolarHBondContact O-N 2.95Å; E219-S223 PolarHBondContact O-N 3.33Å; E219-K224 HydrophobicContact CB-CB 4.42Å; E219-K224 HydrophobicContact CG-CD 4.09Å; E219-K224 PolarHBondContact O-N 2.66Å; E219-K224 VanDerWaalsContact O-N 3.1Å; E219-Y225 HydrophobicContact CB-CD2 4.47Å; E219-Y225 HydrophobicContact CG-CE2 4.22Å
220Q94.2Very high88.6Confident61 Ų6152.1 Ų52.129%0.28528%0.281SS..Hα-helixtrans-76.5-31.9177.2-176.657.460.800113L210 T216 T217L210-Q220 HydrophobicContact CD2-CB 3.63Å; L210-Q220 HydrophobicContact CD2-CG 3.9Å; T216-Q220 PolarHBondContact O-N 3.2Å; T217-Q220 PolarHBondContact O-N 3.2Å
221V93.1Very high88.3Confident111 Ų11152.6 Ų52.667%0.67328%0.284SS*.Hα-helixtrans-86.3-29.7178.4173.20000112.2T217 N218 S223T217-V221 HydrophobicContact CG2-CG2 4.16Å; T217-V221 WeakPolarHBondContact O-CB 3.38Å; T217-V221 WeakPolarHBondContact O-CG2 3.47Å; T217-V221 PolarHBondContact O-N 3.13Å; N218-V221 PolarHBondContact O-N 3.01Å; V221-S223 VanDerWaalsContact C-N 3.34Å
222T91Very high88.1Confident80 Ų8053.7 Ų53.749%0.49129%0.288SS..THydrogen-bonded Turntrans-91.48.217562.90000113.8N218 K224N218-T222 VanDerWaalsContact O-CB 3.29Å; N218-T222 WeakPolarHBondContact O-CB 3.33Å; N218-T222 WeakPolarHBondContact O-CG2 3.44Å; N218-T222 PolarHBondContact O-N 2.76Å; N218-T222 PolarHBondContact O-OG1 2.94Å; T222-K224 PolarHBondContact O-N 2.94Å
223S88.6Confident87.9Confident62 Ų6255.1 Ų55.143%0.43429%0.294SS..THydrogen-bonded Turntrans53.638.3174.6-1040000113.5E219 V221 Y225 D226E219-S223 PolarHBondContact O-N 3.33Å; V221-S223 VanDerWaalsContact C-N 3.34Å; S223-Y225 VanDerWaalsContact C-N 3.28Å; S223-Y225 PolarHBondContact O-N 2.97Å; S223-D226 WeakPolarHBondContact CA-OD1 2.98Å; S223-D226 VanDerWaalsContact CB-CG 3.46Å; S223-D226 WeakPolarHBondContact CB-OD1 3.22Å; S223-D226 WeakPolarHBondContact CB-OD2 3.22Å; S223-D226 VanDerWaalsContact O-CG 3.27Å; S223-D226 VanDerWaalsContact OG-CG 3.26Å; S223-D226 PolarHBondContact OG-OD1 3.48Å; S223-D226 PolarHBondContact OG-OD2 3.05Å; S223-D226 VanDerWaalsContact OG-OD2 3.11Å
224K83.3Confident87.8Confident72 Ų7257.9 Ų57.931%0.31330%0.303SS..THydrogen-bonded Turntrans-72.6-20.6-166.4-161-171.1172.6-148.60113.7E219 T222E219-K224 HydrophobicContact CB-CB 4.42Å; E219-K224 HydrophobicContact CG-CD 4.09Å; E219-K224 PolarHBondContact O-N 2.66Å; E219-K224 VanDerWaalsContact O-N 3.1Å; T222-K224 PolarHBondContact O-N 2.94Å
225Y83.5Confident87.7Confident18 Ų1859.1 Ų59.17%0.07132%0.315CS..THydrogen-bonded Turntrans-138.752.7-172.8-62.1-63.7000111V99 T101 E219 S223 L227 D228 P231 Y232V99-Y225 HydrophobicContact CG1-CD1 4.2Å; V99-Y225 HydrophobicContact CG1-CE1 4.17Å; T101-Y225 PolarHBondContact OG1-OH 3.18Å; E219-Y225 HydrophobicContact CB-CD2 4.47Å; E219-Y225 HydrophobicContact CG-CE2 4.22Å; S223-Y225 VanDerWaalsContact C-N 3.28Å; S223-Y225 PolarHBondContact O-N 2.97Å; Y225-L227 VanDerWaalsContact C-N 3.28Å; Y225-L227 PolarHBondContact O-N 3Å; Y225-L227 VanDerWaalsContact O-N 3.14Å; Y225-D228 PolarHBondContact O-N 3.45Å; Y225-P231 HydrophobicContact CD1-CG 4.38Å; Y225-P231 HydrophobicContact CE1-CG 3.8Å; Y225-Y232 HydrophobicContact CE2-CD2 4.34Å; Y225-Y232 AromaticContact CE2-CE2 3.99Å; Y225-Y232 HydrophobicContact CE2-CE2 3.99Å; Y225-Y232 AromaticContact CZ-CE2 3.95Å
226D68Low87.8Confident115 Ų11562.6 Ų62.662%0.61534%0.335SS*.THydrogen-bonded Turntrans-68.2-7-165.4-89.8-1.4000117.5S223S223-D226 WeakPolarHBondContact CA-OD1 2.98Å; S223-D226 VanDerWaalsContact CB-CG 3.46Å; S223-D226 WeakPolarHBondContact CB-OD1 3.22Å; S223-D226 WeakPolarHBondContact CB-OD2 3.22Å; S223-D226 VanDerWaalsContact O-CG 3.27Å; S223-D226 VanDerWaalsContact OG-CG 3.26Å; S223-D226 PolarHBondContact OG-OD1 3.48Å; S223-D226 PolarHBondContact OG-OD2 3.05Å; S223-D226 VanDerWaalsContact OG-OD2 3.11Å
227L68.1Low87.8Confident156 Ų15667.5 Ų67.582%0.81737%0.368SS*.THydrogen-bonded Turntrans-10628.5179.1-62.3177.4000112.5Y225 M229Y225-L227 VanDerWaalsContact C-N 3.28Å; Y225-L227 PolarHBondContact O-N 3Å; Y225-L227 VanDerWaalsContact O-N 3.14Å; L227-M229 PolarHBondContact O-N 3.2Å
228D63.7Low87.8Confident95 Ų9573.1 Ų73.151%0.50839%0.391SS..SBendtrans58.4-8.5-172.3-118.4-3.1000116.2K213 R215 Y225 N230K213-D228 IonicContact NZ-OD1 3.37Å; K213-D228 PolarHBondContact NZ-OD1 3.35Å; K213-D228 IonicContact NZ-OD2 2.68Å; K213-D228 PolarHBondContact NZ-OD2 3.08Å; R215-D228 IonicContact CZ-OD1 3.59Å; R215-D228 IonicContact NH1-OD1 3.29Å; R215-D228 IonicContact NH2-OD1 3.74Å; R215-D228 PolarHBondContact NH2-OD1 2.93Å; Y225-D228 PolarHBondContact O-N 3.45Å; D228-N230 PolarHBondContact O-N 3.26Å
229M79.5Confident87.8Confident122 Ų12271.8 Ų71.860%0.60138%0.384SS*.  trans-65.565.7170.7-62.3-63.6-74.200112.5V99 L227 P231V99-M229 HydrophobicContact CG2-CB 4.16Å; V99-M229 HydrophobicContact CG2-CE 4.42Å; L227-M229 PolarHBondContact O-N 3.2Å; M229-P231 VanDerWaalsContact O-CD 3.31Å; M229-P231 WeakPolarHBondContact O-CD 3.03Å
230N88.6Confident88Confident12 Ų1275 Ų756%0.06440%0.396CS..  trans-79.7110.9169176.514.3000109.7K213 G214 R215 D228 Y232 D233K213-N230 PolarHBondContact O-ND2 3.29Å; G214-N230 VanDerWaalsContact C-ND2 3.34Å; G214-N230 PolarHBondContact O-ND2 2.88Å; G214-N230 VanDerWaalsContact O-ND2 3.15Å; R215-N230 WeakPolarHBondContact CG-ND2 3.38Å; D228-N230 PolarHBondContact O-N 3.26Å; N230-Y232 PolarHBondContact O-N 3.13Å; N230-Y232 WeakPolarHBondContact OD1-CD2 3.26Å; N230-Y232 PolarHBondContact OD1-N 2.83Å; N230-D233 HydrophobicContact CB-CB 4.14Å; N230-D233 PolarHBondContact O-N 2.96Å; N230-D233 VanDerWaalsContact O-N 3.16Å
231P91.3Very high88.1Confident10 Ų1077.3 Ų77.37%0.06541%0.41CS..THydrogen-bonded Turntrans-68.5-6.2-179.230.4-36.3000113.9I96 N97 V99 Y225 M229I96-P231 HydrophobicContact CB-CB 4.24Å; I96-P231 HydrophobicContact CB-CG 4.38Å; I96-P231 HydrophobicContact CG2-CB 4.03Å; I96-P231 HydrophobicContact CG2-CG 4.3Å; I96-P231 WeakPolarHBondContact O-CB 3.43Å; N97-P231 HydrophobicContact CB-CB 4.1Å; N97-P231 PolarHBondContact ND2-O 3.41Å; V99-P231 HydrophobicContact CB-CB 4.06Å; V99-P231 HydrophobicContact CB-CG 4.13Å; V99-P231 HydrophobicContact CG1-CG 4.48Å; V99-P231 HydrophobicContact CG2-CB 4.01Å; V99-P231 HydrophobicContact CG2-CG 4.41Å; Y225-P231 HydrophobicContact CD1-CG 4.38Å; Y225-P231 HydrophobicContact CE1-CG 3.8Å; M229-P231 VanDerWaalsContact O-CD 3.31Å; M229-P231 WeakPolarHBondContact O-CD 3.03Å
232Y92.3Very high88.2Confident27 Ų2775.1 Ų75.111%0.10639%0.392CS..THydrogen-bonded Turntrans-103.8-3.9177.4-49.2-64000114.4I96 P115 R116 Y225 N230 R234I96-Y232 VanDerWaalsContact CD1-OH 3.29Å; I96-Y232 WeakPolarHBondContact CD1-OH 3.29Å; I96-Y232 HydrophobicContact CG2-CE1 3.96Å; P115-Y232 WeakPolarHBondContact CB-OH 3.28Å; R116-Y232 VanDerWaalsContact CD-CE2 3.46Å; R116-Y232 HydrophobicContact CG-CD2 4.11Å; R116-Y232 HydrophobicContact CG-CE1 4.2Å; R116-Y232 HydrophobicContact CG-CE2 3.42Å; R116-Y232 VanDerWaalsContact CG-CE2 3.42Å; R116-Y232 VanDerWaalsContact CG-CZ 3.47Å; R116-Y232 VanDerWaalsContact CZ-CD2 3.49Å; Y225-Y232 HydrophobicContact CE2-CD2 4.34Å; Y225-Y232 AromaticContact CE2-CE2 3.99Å; Y225-Y232 HydrophobicContact CE2-CE2 3.99Å; Y225-Y232 AromaticContact CZ-CE2 3.95Å; N230-Y232 PolarHBondContact O-N 3.13Å; N230-Y232 WeakPolarHBondContact OD1-CD2 3.26Å; N230-Y232 PolarHBondContact OD1-N 2.83Å; Y232-R234 PolarHBondContact O-NH1 3.46Å
233D93.2Very high88.4Confident56 Ų5672.8 Ų72.830%0.29938%0.376SS..  trans-73.6127.8173.3-164.5-17.5000109.5N230 G235 N239N230-D233 HydrophobicContact CB-CB 4.14Å; N230-D233 PolarHBondContact O-N 2.96Å; N230-D233 VanDerWaalsContact O-N 3.16Å; D233-G235 PolarHBondContact OD1-N 3.44Å; D233-N239 PolarHBondContact OD1-ND2 3.25Å
234R92.5Very high88.7Confident114 Ų11473.5 Ų73.543%0.4337%0.372SS..  trans-118.110179.3-52.7-176.6-170.292-18.4111.9Y232 K238 N239 H242Y232-R234 PolarHBondContact O-NH1 3.46Å; R234-K238 HydrophobicContact CB-CB 3.71Å; R234-K238 HydrophobicContact CB-CD 4.35Å; R234-K238 WeakPolarHBondContact O-CB 3.24Å; R234-K238 WeakPolarHBondContact O-CD 3.5Å; R234-N239 WeakPolarHBondContact CB-OD1 3.44Å; R234-N239 PolarHBondContact N-OD1 3.15Å; R234-H242 PolarHBondContact NH1-CD2 2.84Å; R234-H242 PolarHBondContact NH1-NE2 3.37Å; R234-H242 PolarHBondContact NH2-CD2 2.68Å; R234-H242 PolarHBondContact NH2-NE2 3.4Å
235G93.2Very high89.2Confident37 Ų3774.5 Ų74.538%0.38139%0.386SS..  trans83.1146-166.500000112.2D233 C237 K238 N239D233-G235 PolarHBondContact OD1-N 3.44Å; G235-C237 PolarHBondContact O-N 3.03Å; G235-K238 PolarHBondContact O-N 3.31Å; G235-N239 PolarHBondContact O-N 2.93Å
236I95.7Very high89.5Confident102 Ų10276.1 Ų76.152%0.52340%0.399SS..Hα-helixtrans-42.3-60.4-167.6-56.2174.6000112.7K238 N239 W240I236-K238 VanDerWaalsContact C-N 3.3Å; I236-K238 PolarHBondContact O-N 3.45Å; I236-N239 WeakPolarHBondContact O-CB 3.39Å; I236-N239 PolarHBondContact O-N 3.09Å; I236-W240 VanDerWaalsContact O-CD1 3.25Å; I236-W240 PolarHBondContact O-N 3.49Å
237C96.4Very high90.5Very high109 Ų10975.9 Ų75.974%0.73641%0.406SS*.Hα-helixtrans-60.8-35.9-175.7-54.60000113.2G235 L241G235-C237 PolarHBondContact O-N 3.03Å; C237-L241 VanDerWaalsContact O-CB 3.26Å; C237-L241 WeakPolarHBondContact O-CB 3.2Å; C237-L241 PolarHBondContact O-N 3.29Å
238K96.5Very high91.4Very high140 Ų14071.3 Ų71.361%0.60938%0.38SS*.Hα-helixtrans-74.7-31.3177.1-61.6-168.8-172.1175.70111.9R234 G235 I236 H242R234-K238 HydrophobicContact CB-CB 3.71Å; R234-K238 HydrophobicContact CB-CD 4.35Å; R234-K238 WeakPolarHBondContact O-CB 3.24Å; R234-K238 WeakPolarHBondContact O-CD 3.5Å; G235-K238 PolarHBondContact O-N 3.31Å; I236-K238 VanDerWaalsContact C-N 3.3Å; I236-K238 PolarHBondContact O-N 3.45Å; K238-H242 WeakPolarHBondContact O-CB 3.19Å; K238-H242 PolarHBondContact O-N 3.32Å
239N97Very high92.3Very high4 Ų467.9 Ų67.92%0.02136%0.363CS..Hα-helixtrans-68.4-45.2173.9-61.3-26.8000111.3V211 S212 G214 D233 R234 G235 I236 H242 I243V211-N239 WeakPolarHBondContact O-CB 3.35Å; S212-N239 PolarHBondContact O-ND2 2.88Å; G214-N239 PolarHBondContact N-ND2 3.43Å; D233-N239 PolarHBondContact OD1-ND2 3.25Å; R234-N239 WeakPolarHBondContact CB-OD1 3.44Å; R234-N239 PolarHBondContact N-OD1 3.15Å; G235-N239 PolarHBondContact O-N 2.93Å; I236-N239 WeakPolarHBondContact O-CB 3.39Å; I236-N239 PolarHBondContact O-N 3.09Å; N239-H242 WeakPolarHBondContact O-CB 3.03Å; N239-H242 PolarHBondContact O-N 2.82Å; N239-I243 PolarHBondContact O-N 2.99Å; N239-I243 VanDerWaalsContact O-N 3.15Å
240W97.3Very high92.3Very high72 Ų7266.1 Ų66.127%0.27336%0.361SS..Hα-helixtrans-61.3-48.4174.4-80.767.7000111.6F150 I208 V211 S212 I236 H242 I243 F244F150-W240 HydrophobicContact CE1-CE3 4.47Å; F150-W240 HydrophobicContact CE1-CH2 4.4Å; F150-W240 HydrophobicContact CE1-CZ3 4.24Å; F150-W240 HydrophobicContact CZ-CH2 4.01Å; F150-W240 HydrophobicContact CZ-CZ2 4.29Å; F150-W240 HydrophobicContact CZ-CZ3 4.3Å; I208-W240 HydrophobicContact CB-CZ2 4.49Å; I208-W240 HydrophobicContact CG1-CH2 4.11Å; I208-W240 HydrophobicContact CG1-CZ2 4.18Å; I208-W240 HydrophobicContact CG2-CZ2 4.2Å; V211-W240 HydrophobicContact CG1-CD2 4.23Å; V211-W240 HydrophobicContact CG1-CG 4Å; S212-W240 PolarHBondContact OG-NE1 2.79Å; I236-W240 VanDerWaalsContact O-CD1 3.25Å; I236-W240 PolarHBondContact O-N 3.49Å; W240-H242 PolarHBondContact O-N 3.29Å; W240-I243 PolarHBondContact O-N 2.96Å; W240-I243 VanDerWaalsContact O-N 3.09Å; W240-F244 AromaticContact CE3-CE2 3.84Å; W240-F244 HydrophobicContact CE3-CE2 3.84Å; W240-F244 HydrophobicContact CZ3-CE2 4.26Å; W240-F244 WeakPolarHBondContact O-CD2 3.48Å; W240-F244 PolarHBondContact O-N 3.23Å
241L96.7Very high91.8Very high109 Ų10970.8 Ų70.857%0.57139%0.385SS*.Hα-helixtrans-57.4-37.4174.3-172.971.3000112C237 I243 C245C237-L241 VanDerWaalsContact O-CB 3.26Å; C237-L241 WeakPolarHBondContact O-CB 3.2Å; C237-L241 PolarHBondContact O-N 3.29Å; L241-I243 PolarHBondContact O-N 2.85Å; L241-C245 HydrophobicContact CD1-CB 3.79Å; L241-C245 HydrophobicContact CG-CB 4.24Å; L241-C245 WeakPolarHBondContact O-CA 3.5Å; L241-C245 WeakPolarHBondContact O-CB 3.06Å; L241-C245 PolarHBondContact O-N 3.07Å
242H94.8Very high90.8Very high65 Ų6574.9 Ų74.930%0.30141%0.405SS..Hα-helixtrans-65.7-34.3176.9175.4-81.8000113.1R234 K238 N239 W240 T246R234-H242 PolarHBondContact NH1-CD2 2.84Å; R234-H242 PolarHBondContact NH1-NE2 3.37Å; R234-H242 PolarHBondContact NH2-CD2 2.68Å; R234-H242 PolarHBondContact NH2-NE2 3.4Å; K238-H242 WeakPolarHBondContact O-CB 3.19Å; K238-H242 PolarHBondContact O-N 3.32Å; N239-H242 WeakPolarHBondContact O-CB 3.03Å; N239-H242 PolarHBondContact O-N 2.82Å; W240-H242 PolarHBondContact O-N 3.29Å; H242-T246 HydrophobicContact CB-CG2 4.4Å; H242-T246 WeakPolarHBondContact O-CB 3.31Å; H242-T246 WeakPolarHBondContact O-CG2 3.39Å; H242-T246 PolarHBondContact O-OG1 2.91Å
243I95.3Very high89.6Confident32 Ų3274.6 Ų74.616%0.16441%0.406CS..Hα-helixtrans-71.4-44.2176.6-61.7-55.6000111.8Y146 R147 F150 V211 N239 W240 L241Y146-I243 HydrophobicContact CD1-CD1 3.99Å; Y146-I243 HydrophobicContact CD1-CG2 4.05Å; Y146-I243 HydrophobicContact CE1-CD1 4Å; Y146-I243 HydrophobicContact CE1-CG1 4.45Å; Y146-I243 HydrophobicContact CE1-CG2 4.29Å; R147-I243 HydrophobicContact CB-CG2 4.46Å; R147-I243 WeakPolarHBondContact CB-O 3.49Å; F150-I243 HydrophobicContact CD1-CG2 3.93Å; V211-I243 HydrophobicContact CG1-CG1 3.78Å; V211-I243 HydrophobicContact CG2-CG1 4.13Å; N239-I243 PolarHBondContact O-N 2.99Å; N239-I243 VanDerWaalsContact O-N 3.15Å; W240-I243 PolarHBondContact O-N 2.96Å; W240-I243 VanDerWaalsContact O-N 3.09Å; L241-I243 PolarHBondContact O-N 2.85Å
244F95.4Very high88.2Confident77 Ų7777.8 Ų77.834%0.33841%0.414SS..Hα-helixtrans-87.3-37.5-173.7-65.5-68.4000114.1R147 F150 L154 W240R147-F244 PolarHBondContact NH1-O 3.4Å; F150-F244 HydrophobicContact CD1-CE1 4.15Å; F150-F244 HydrophobicContact CD1-CE2 4.04Å; F150-F244 AromaticContact CD1-CZ 3.45Å; F150-F244 HydrophobicContact CD1-CZ 3.45Å; F150-F244 VanDerWaalsContact CD1-CZ 3.45Å; F150-F244 AromaticContact CE1-CE2 3.81Å; F150-F244 HydrophobicContact CE1-CE2 3.81Å; F150-F244 AromaticContact CE1-CZ 3.57Å; F150-F244 HydrophobicContact CE1-CZ 3.57Å; L154-F244 HydrophobicContact CD1-CZ 3.84Å; W240-F244 AromaticContact CE3-CE2 3.84Å; W240-F244 HydrophobicContact CE3-CE2 3.84Å; W240-F244 HydrophobicContact CZ3-CE2 4.26Å; W240-F244 WeakPolarHBondContact O-CD2 3.48Å; W240-F244 PolarHBondContact O-N 3.23Å
245C93.9Very high86.6Confident92 Ų9273.5 Ų73.562%0.62240%0.401SS*.Hα-helixtrans-113.44.5-165.8-58.50000115.2L241L241-C245 HydrophobicContact CD1-CB 3.79Å; L241-C245 HydrophobicContact CG-CB 4.24Å; L241-C245 WeakPolarHBondContact O-CA 3.5Å; L241-C245 WeakPolarHBondContact O-CB 3.06Å; L241-C245 PolarHBondContact O-N 3.07Å
246T89.5Confident84.7Confident53 Ų5376.1 Ų76.133%0.32541%0.406SS..SBendtrans-66.2149.516644.10000110.9R147 H242R147-T246 VanDerWaalsContact CZ-O 3.31Å; R147-T246 PolarHBondContact NH1-O 3.48Å; R147-T246 PolarHBondContact NH2-O 2.78Å; R147-T246 PolarHBondContact NH2-OG1 2.89Å; H242-T246 HydrophobicContact CB-CG2 4.4Å; H242-T246 WeakPolarHBondContact O-CB 3.31Å; H242-T246 WeakPolarHBondContact O-CG2 3.39Å; H242-T246 PolarHBondContact O-OG1 2.91Å
247S89.1Confident82.6Confident109 Ų10974.8 Ų74.876%0.76240%0.402SS*.PPolyproline II helixtrans-58.2154.7169.4-167.10000111.2R147R147-S247 PolarHBondContact NH2-O 2.86Å
248Q86.9Confident79.9Confident61 Ų6172.4 Ų72.429%0.28539%0.391SS..PPolyproline II helixtrans-68.3132.6173.7-17062.911.900109.2M64 R144M64-Q248 PolarHBondContact SD-NE2 3.23Å; R144-Q248 PolarHBondContact O-NE2 3.25Å
249P83.3Confident77.6Confident23 Ų2370 Ų7015%0.14938%0.381CS..PPolyproline II helixtrans-62165.4176-19.530.8000112.3K143 R144K143-P249 HydrophobicContact CD-CG 4.23Å; K143-P249 HydrophobicContact CG-CG 3.85Å; R144-P249 HydrophobicContact CG-CB 3.98Å; R144-P249 HydrophobicContact CG-CG 4.02Å; R144-P249 PolarHBondContact NH1-O 3.49Å
250P79.7Confident75.3Confident85 Ų8571.8 Ų71.855%0.55239%0.391SS*.PPolyproline II helixtrans-59.7163166.528.9-36.3000111.3R144R144-P250 WeakPolarHBondContact CD-O 3.49Å; R144-P250 PolarHBondContact NH1-O 2.8Å
251I77.6Confident72.6Confident110 Ų11071.6 Ų71.656%0.56440%0.395SS*.SBendtrans-74.5-60.5-177.9-63.8170.3000110.1
252L69.5Low69.9Low96 Ų9671.4 Ų71.450%0.50339%0.392SS..SBendtrans-96.4121.5176-178.264.8000109.6A70 R254A70-L252 HydrophobicContact CB-CD1 4.05Å; A70-L252 HydrophobicContact CB-CD2 4.49Å; A70-L252 HydrophobicContact CB-CG 4.44Å; L252-R254 HydrophobicContact CD2-CG 4.44Å; L252-R254 PolarHBondContact O-N 3.12Å
253N68Low67.4Low21 Ų2171 Ų7111%0.11239%0.388CS..BIsolated β-bridgetrans-86.3103164-74.2-29000108.7Y68 Y69 A70 D128Y68-N253 PolarHBondContact O-N 3.41Å; Y69-N253 CarbonylContact C-O 3.08Å; Y69-N253 VanDerWaalsContact CA-O 3.24Å; Y69-N253 WeakPolarHBondContact CA-O 3.5Å; Y69-N253 HydrophobicContact CD1-CB 3.5Å; Y69-N253 WeakPolarHBondContact CD1-O 3.41Å; Y69-N253 HydrophobicContact CE1-CB 3.57Å; Y69-N253 HydrophobicContact CG-CB 4.08Å; A70-N253 PolarHBondContact N-O 2.75Å; D128-N253 VanDerWaalsContact CB-ND2 3.29Å; D128-N253 WeakPolarHBondContact CB-ND2 3.29Å; D128-N253 PolarHBondContact OD2-ND2 3.48Å
254R64.8Low64.8Low123 Ų12373.1 Ų73.146%0.46440%0.397SS..  trans-67.7132.9155.2-69.5-171.5-179.4-154.10.1107A70 L252 N256 C310A70-R254 HydrophobicContact CB-CG 4.23Å; L252-R254 HydrophobicContact CD2-CG 4.44Å; L252-R254 PolarHBondContact O-N 3.12Å; R254-N256 PolarHBondContact O-N 3.09Å; R254-C310 PolarHBondContact NH1-SG 3.18Å
255P58.7Low62.1Low24 Ų2473.9 Ų73.916%0.15640%0.404CS..  trans-62.7102169.526.6-31.7000107.3Y69 F111 V257 I260Y69-P255 HydrophobicContact CD1-CB 4.38Å; F111-P255 HydrophobicContact CD1-CG 4.27Å; F111-P255 HydrophobicContact CD2-CB 4.23Å; F111-P255 HydrophobicContact CG-CB 4.41Å; F111-P255 HydrophobicContact CG-CG 4.23Å; P255-V257 PolarHBondContact O-N 3.29Å; P255-I260 HydrophobicContact CB-CD1 4.31Å
256N52.7Low59.4Low91 Ų9172.4 Ų72.449%0.48740%0.395SS..  trans-70.7117-170.1-173.93.8000108.6R254 A258 E259 I260R254-N256 PolarHBondContact O-N 3.09Å; N256-A258 PolarHBondContact O-N 3.13Å; N256-A258 PolarHBondContact OD1-N 3.08Å; N256-E259 HydrophobicContact CB-CB 3.97Å; N256-E259 WeakPolarHBondContact O-CA 3.48Å; N256-E259 WeakPolarHBondContact O-CB 3.23Å; N256-E259 PolarHBondContact O-N 3.2Å; N256-I260 PolarHBondContact O-N 3.38Å
257V51Low56.9Low74 Ų7476.3 Ų76.345%0.44841%0.405SS..Hα-helixtrans-54.7-43.9-178.8-174.70000109.5P255 E259 I260 D261P255-V257 PolarHBondContact O-N 3.29Å; V257-E259 PolarHBondContact O-N 3.49Å; V257-E259 VanDerWaalsContact O-N 3.13Å; V257-I260 CarbonylContact O-C 3.56Å; V257-I260 WeakPolarHBondContact O-CA 3.44Å; V257-I260 WeakPolarHBondContact O-CB 3.41Å; V257-I260 PolarHBondContact O-N 2.69Å; V257-D261 WeakPolarHBondContact O-CB 3.1Å; V257-D261 PolarHBondContact O-N 3.15Å
258A40.7Very low54.7Low60 Ų6077 Ų7750%0.49640%0.4SS..Hα-helixtrans-62.4-22.2175.700000115N256 D261 M262N256-A258 PolarHBondContact O-N 3.13Å; N256-A258 PolarHBondContact OD1-N 3.08Å; A258-D261 WeakPolarHBondContact CA-OD2 3.11Å; A258-M262 WeakPolarHBondContact O-CB 3.39Å; A258-M262 PolarHBondContact O-N 2.99Å
259E48Very low52.4Low88 Ų8877.2 Ų77.241%0.41142%0.418SS..Hα-helixtrans-81.7-38.5171.1-172.4173.4-16300110.8N256 V257 D261 M262 W263N256-E259 HydrophobicContact CB-CB 3.97Å; N256-E259 WeakPolarHBondContact O-CA 3.48Å; N256-E259 WeakPolarHBondContact O-CB 3.23Å; N256-E259 PolarHBondContact O-N 3.2Å; V257-E259 PolarHBondContact O-N 3.49Å; V257-E259 VanDerWaalsContact O-N 3.13Å; E259-D261 VanDerWaalsContact C-N 3.32Å; E259-M262 HydrophobicContact CG-CE 4.17Å; E259-M262 WeakPolarHBondContact O-CB 3.43Å; E259-M262 PolarHBondContact O-N 3.17Å; E259-W263 PolarHBondContact O-N 3.11Å; E259-W263 VanDerWaalsContact O-N 3.11Å
260I49.4Very low50.1Low43 Ų4384.1 Ų84.122%0.22145%0.446CS..Hα-helixtrans-61.1-42.5171-62.3172.4000110.4P255 N256 V257 W263 E264P255-I260 HydrophobicContact CB-CD1 4.31Å; N256-I260 PolarHBondContact O-N 3.38Å; V257-I260 CarbonylContact O-C 3.56Å; V257-I260 WeakPolarHBondContact O-CA 3.44Å; V257-I260 WeakPolarHBondContact O-CB 3.41Å; V257-I260 PolarHBondContact O-N 2.69Å; I260-W263 WeakPolarHBondContact O-CB 3.21Å; I260-W263 PolarHBondContact O-N 2.96Å; I260-E264 PolarHBondContact O-N 2.66Å; I260-E264 VanDerWaalsContact O-N 3.09Å
261D39.8Very low47.9Very low67 Ų6785.4 Ų85.436%0.35846%0.455SS..Hα-helixtrans-64.3-38.8174.4-56.3-22.2000111.3V257 A258 E259 W263 E264 I265V257-D261 WeakPolarHBondContact O-CB 3.1Å; V257-D261 PolarHBondContact O-N 3.15Å; A258-D261 WeakPolarHBondContact CA-OD2 3.11Å; E259-D261 VanDerWaalsContact C-N 3.32Å; D261-W263 VanDerWaalsContact C-N 3.26Å; D261-W263 PolarHBondContact O-N 3.27Å; D261-E264 CarbonylContact O-C 3.59Å; D261-E264 WeakPolarHBondContact O-CA 3.26Å; D261-E264 WeakPolarHBondContact O-CB 3.33Å; D261-E264 PolarHBondContact O-N 2.75Å; D261-I265 WeakPolarHBondContact O-CG1 3.29Å; D261-I265 PolarHBondContact O-N 3.19Å
262M39.2Very low46.2Very low106 Ų10687 Ų8752%0.52246%0.462SS..Hα-helixtrans-61.6-35.6174.2-174.4173.964.100111.7A258 E259 S266A258-M262 WeakPolarHBondContact O-CB 3.39Å; A258-M262 PolarHBondContact O-N 2.99Å; E259-M262 HydrophobicContact CG-CE 4.17Å; E259-M262 WeakPolarHBondContact O-CB 3.43Å; E259-M262 PolarHBondContact O-N 3.17Å; M262-S266 PolarHBondContact O-N 2.87Å
263W43.8Very low44.6Very low55 Ų5591.7 Ų91.721%0.20848%0.479CS..Hα-helixtrans-71.6-27.2170.3-59.7112.3000113V94 I96 P115 E259 I260 D261 Y267V94-W263 HydrophobicContact CB-CB 4.4Å; V94-W263 HydrophobicContact CB-CD2 4.48Å; V94-W263 HydrophobicContact CB-CE3 4.09Å; V94-W263 HydrophobicContact CG1-CB 3.82Å; V94-W263 HydrophobicContact CG1-CG 4.34Å; V94-W263 HydrophobicContact CG2-CE3 4.32Å; I96-W263 HydrophobicContact CG1-CZ3 4.22Å; P115-W263 HydrophobicContact CG-CZ2 4.29Å; E259-W263 PolarHBondContact O-N 3.11Å; E259-W263 VanDerWaalsContact O-N 3.11Å; I260-W263 WeakPolarHBondContact O-CB 3.21Å; I260-W263 PolarHBondContact O-N 2.96Å; D261-W263 VanDerWaalsContact C-N 3.26Å; D261-W263 PolarHBondContact O-N 3.27Å; W263-Y267 PolarHBondContact O-N 3.1Å
264E40.4Very low43.1Very low77 Ų7799.3 Ų99.336%0.3651%0.514SS..Hα-helixtrans-73.5-37.5172.3-65.4-167.7175.300113.2K92 I260 D261 S266 Y267 N268K92-E264 VanDerWaalsContact NZ-CD 3.32Å; K92-E264 IonicContact NZ-OE1 2.63Å; K92-E264 PolarHBondContact NZ-OE1 3.29Å; I260-E264 PolarHBondContact O-N 2.66Å; I260-E264 VanDerWaalsContact O-N 3.09Å; D261-E264 CarbonylContact O-C 3.59Å; D261-E264 WeakPolarHBondContact O-CA 3.26Å; D261-E264 WeakPolarHBondContact O-CB 3.33Å; D261-E264 PolarHBondContact O-N 2.75Å; E264-S266 PolarHBondContact O-N 2.78Å; E264-Y267 PolarHBondContact O-N 3.17Å; E264-N268 PolarHBondContact O-N 2.81Å
265I37.8Very low41.4Very low93 Ų93104.3 Ų104.348%0.47753%0.532SS..Hα-helixtrans-58.5-35.7173.1-69.2166.2000110.5D261D261-I265 WeakPolarHBondContact O-CG1 3.29Å; D261-I265 PolarHBondContact O-N 3.19Å
266S37.5Very low40Very low62 Ų62111.1 Ų111.143%0.43456%0.562SS.*Hα-helixtrans-74.1-28.5174.1-1640000113.7M262 E264M262-S266 PolarHBondContact O-N 2.87Å; E264-S266 PolarHBondContact O-N 2.78Å
267Y38Very low38.9Very low134 Ų134113.6 Ų113.653%0.52558%0.581SS.*Hα-helixtrans-83.1-33.8-176.5-163-114.4000113.1S93 W263 E264 G269S93-Y267 WeakPolarHBondContact O-CD2 3.21Å; S93-Y267 WeakPolarHBondContact O-CE2 3.46Å; W263-Y267 PolarHBondContact O-N 3.1Å; E264-Y267 PolarHBondContact O-N 3.17Å; Y267-G269 VanDerWaalsContact C-N 3.3Å; Y267-G269 PolarHBondContact O-N 2.97Å
268N42.4Very low37.8Very low125 Ų125114.1 Ų114.167%0.66859%0.588SS**SBendtrans-84.25.8-179.5-79.6-21000114.8E264 K270E264-N268 PolarHBondContact O-N 2.81Å; N268-K270 PolarHBondContact O-N 3.15Å
269G37.5Very low37.3Very low65 Ų65118.5 Ų118.567%0.6760%0.603SS**SBendtrans62.67.6166.100000117.2Y267Y267-G269 VanDerWaalsContact C-N 3.3Å; Y267-G269 PolarHBondContact O-N 2.97Å
270K34.7Very low36.4Very low167 Ų167123 Ų12373%0.72663%0.628SS**  trans-133.1113.6-176.5-71.5-178.8179.5175.70110.4N268 I272N268-K270 PolarHBondContact O-N 3.15Å; K270-I272 PolarHBondContact O-N 3.34Å
271P34.9Very low35.5Very low113 Ų113132.5 Ų132.573%0.73466%0.662SS**  trans-67.4117.9174.327.7-33000109.6K273P271-K273 PolarHBondContact O-N 3.38Å
272I41.5Very low35Very low142 Ų142135.4 Ų135.473%0.72869%0.687SS**  trans-67.999.7174.6-59.4175.9000107.9K270 H274K270-I272 PolarHBondContact O-N 3.34Å; I272-H274 PolarHBondContact O-N 2.88Å; I272-H274 VanDerWaalsContact O-N 3.12Å
273K36.5Very low34.6Very low196 Ų196134 Ų13485%0.85270%0.701SS**  trans-57.3117.8161.8-74.9-174.9177.9179.40107P271 R275P271-K273 PolarHBondContact O-N 3.38Å; K273-R275 VanDerWaalsContact C-N 3.26Å; K273-R275 PolarHBondContact O-N 2.83Å
274H36.2Very low33.9Very low181 Ų181135.9 Ų135.984%0.83872%0.722SS**  trans-67.783.7-177-159.1-57.7000110.1I272 Q276I272-H274 PolarHBondContact O-N 2.88Å; I272-H274 VanDerWaalsContact O-N 3.12Å; H274-Q276 PolarHBondContact O-N 3.01Å; H274-Q276 VanDerWaalsContact O-N 3.08Å
275R28.4Very low33.6Very low227 Ų227139.1 Ų139.186%0.85774%0.742SS**  trans-62.3113.6-175.5-169.4177.8-171175.93.7108.4K273 T277K273-R275 VanDerWaalsContact C-N 3.26Å; K273-R275 PolarHBondContact O-N 2.83Å; R275-T277 PolarHBondContact O-N 3.4Å
276Q29.6Very low33.2Very low168 Ų168141.5 Ų141.579%0.78576%0.755SS**  trans-58125.1171.3-71.9179.2-18.400108.4H274 S278H274-Q276 PolarHBondContact O-N 3.01Å; H274-Q276 VanDerWaalsContact O-N 3.08Å; Q276-S278 PolarHBondContact O-N 2.67Å
277T30.1Very low32.9Very low143 Ų143150 Ų15088%0.87778%0.779SS**  trans-81.262.7179.252.90000110.7R275R275-T277 PolarHBondContact O-N 3.4Å
278S28.4Very low32.4Very low85 Ų85153.5 Ų153.559%0.59480%0.797SS**  trans-78.6152.4150.448.50000108.9Q276Q276-S278 PolarHBondContact O-N 2.67Å
279N29.7Very low31.7Very low151 Ų151155.1 Ų155.181%0.80781%0.805SS**  trans71.561.2176.8-49.1-15.4000116.6
280L29.3Very low31.3Very low182 Ų182157.3 Ų157.395%0.95381%0.807SS**  trans-109.9129.3131.7-105.682.9000107.8
281R29.6Very low31Very low243 Ų243157.3 Ų157.392%0.91782%0.815SS**  trans-132.2115.7-175.8-165.2-176.4-150.9-1275.9110.1
282S28.9Very low31Very low128 Ų128157.8 Ų157.890%0.89582%0.817SS**  trans48.1106.7164.5-150.70000118.4
283G30.8Very low30.6Very low78 Ų78159.8 Ų159.880%0.80482%0.82SS**  trans-149.6110.6160.800000108.5
284S30Very low30.6Very low93 Ų93160.1 Ų160.165%0.6582%0.822SS**  trans-79.3137.8-174176.30000111.8
285N34.9Very low30.5Very low146 Ų146156.6 Ų156.678%0.78182%0.818SS**  -174.3116.8113.2-87.4-14.5000114
286N29.4Very low30.9Very low142 Ų142148.7 Ų148.776%0.75980%0.797SS**  trans-2.9107.3161.7-60.3-36000119.6
287Y29.5Very low31.2Very low240 Ų240150.4 Ų150.494%0.94180%0.802SS**  -136.7139.4128.7-80.1-77.2000108.5
288K28.1Very low31.5Very low208 Ų208147.4 Ų147.490%0.90478%0.781SS**  trans-112.5120.5-165-163.5177.8-175.1-178.20111
289L28.6Very low31.8Very low159 Ų159147.9 Ų147.983%0.83278%0.782SS**  trans-128.2150.7173.9-109129.4000109.6
290P29.3Very low32.2Very low111 Ų111144.9 Ų144.972%0.72177%0.768SS**  trans-79.4150.4-160.2-17.233.7000116T292P290-T292 PolarHBondContact O-N 2.8Å
291D28.4Very low32.6Very low167 Ų167138.5 Ų138.589%0.89374%0.735SS**  trans-75.877.7-174.8-67-77.9000115.2
292T33.7Very low33.2Very low124 Ų124131.4 Ų131.476%0.76171%0.714SS**  trans-14479.5166.337.80000114.3P290P290-T292 PolarHBondContact O-N 2.8Å
293F33.7Very low33.8Very low184 Ų184129.4 Ų129.481%0.80770%0.697SS**  trans-170.6124.1132-124.2-94.1000112
294K35.7Very low34.2Very low203 Ų203131.1 Ų131.188%0.88368%0.682SS**PPolyproline II helixtrans-85.5134.3168.8-75.3179.6178.2173.60109.8S296K294-S296 PolarHBondContact O-N 3.47Å
295S34.7Very low34.6Very low107 Ų107131.9 Ų131.975%0.74868%0.675SS**PPolyproline II helixtrans-69.2122.2-175.1178.20000113.2
296S35.8Very low34.7Very low60 Ų60132.1 Ų132.142%0.4267%0.67SS.*PPolyproline II helixtrans-81.7122.8162.4-173.30000109.6K294 N298 D301K294-S296 PolarHBondContact O-N 3.47Å; S296-N298 VanDerWaalsContact C-N 3.3Å; S296-N298 PolarHBondContact O-N 2.97Å; S296-N298 VanDerWaalsContact O-N 3.15Å; S296-D301 PolarHBondContact OG-OD2 3.08Å
297K36.6Very low35.3Very low204 Ų204130.1 Ų130.189%0.88766%0.656SS**  trans-88.359.1-179.4-66.6-176.9179.5177.10111.8
298N36.6Very low35.8Very low81 Ų81123.3 Ų123.343%0.43364%0.638SS.*  trans-142.3116.5-179.1-143.7-10.2000111.6S296 V300 D301S296-N298 VanDerWaalsContact C-N 3.3Å; S296-N298 PolarHBondContact O-N 2.97Å; S296-N298 VanDerWaalsContact O-N 3.15Å; N298-V300 PolarHBondContact O-N 2.86Å; N298-V300 VanDerWaalsContact O-N 3.17Å; N298-D301 PolarHBondContact O-N 2.99Å; N298-D301 VanDerWaalsContact O-N 3.12Å
299P34.4Very low36.4Very low95 Ų95117.8 Ų117.862%0.61762%0.622SS**Hα-helixtrans-64.9-22.9-17425-34.2000113.6I302 V303P299-I302 PolarHBondContact O-N 3.07Å; P299-V303 PolarHBondContact O-N 3.2Å
300V38.8Very low36.7Very low87 Ų87112.4 Ų112.453%0.52760%0.597SS.*Hα-helixtrans-68.8-34.7176.1-176.30000112N298 K304N298-V300 PolarHBondContact O-N 2.86Å; N298-V300 VanDerWaalsContact O-N 3.17Å; V300-K304 PolarHBondContact O-N 3.04Å
301D36.9Very low37.2Very low49 Ų49113.6 Ų113.626%0.26259%0.593SS.*Hα-helixtrans-68.3-38.7177.4-66.9-22.6000110.8S296 N298 V303 K304 Q305S296-D301 PolarHBondContact OG-OD2 3.08Å; N298-D301 PolarHBondContact O-N 2.99Å; N298-D301 VanDerWaalsContact O-N 3.12Å; D301-V303 VanDerWaalsContact C-N 3.35Å; D301-V303 PolarHBondContact O-N 3.25Å; D301-K304 PolarHBondContact O-N 3.45Å; D301-Q305 PolarHBondContact O-N 3.02Å
302I41.5Very low37.7Very low93 Ų93111.8 Ų111.848%0.47758%0.578SS.*Hα-helixtrans-64.9-38.4-179.1-59.7174.8000111.1P299 K306P299-I302 PolarHBondContact O-N 3.07Å; I302-K306 PolarHBondContact O-N 2.98Å
303V43Very low38.3Very low86 Ų86109.2 Ų109.252%0.52156%0.561SS.*Hα-helixtrans-64.3-48.6174.8176.20000110.5P299 D301 Q305 K306 E307P299-V303 PolarHBondContact O-N 3.2Å; D301-V303 VanDerWaalsContact C-N 3.35Å; D301-V303 PolarHBondContact O-N 3.25Å; V303-Q305 PolarHBondContact O-N 3.35Å; V303-K306 PolarHBondContact O-N 2.95Å; V303-K306 VanDerWaalsContact O-N 3.1Å; V303-E307 PolarHBondContact O-N 3.19Å
304K39.4Very low38.7Very low115 Ų115105 Ų10550%0.555%0.547SS..Hα-helixtrans-61-40.9178.3-72.2-176.3175.3-176.60112.8V300 D301 K306 E307 V308V300-K304 PolarHBondContact O-N 3.04Å; D301-K304 PolarHBondContact O-N 3.45Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K304-E307 PolarHBondContact O-N 3.21Å; K304-V308 WeakPolarHBondContact O-CG2 3.44Å; K304-V308 PolarHBondContact O-N 3.14Å; K304-V308 VanDerWaalsContact O-N 3.14Å
305Q37.3Very low39.1Very low109 Ų109100.7 Ų100.751%0.50953%0.533SS..Hα-helixtrans-64.8-37.2174.8-73.8-171-65.300112.1D301 V303 V309D301-Q305 PolarHBondContact O-N 3.02Å; V303-Q305 PolarHBondContact O-N 3.35Å; Q305-V309 VanDerWaalsContact O-CG2 3.31Å; Q305-V309 WeakPolarHBondContact O-CG2 3.31Å; Q305-V309 PolarHBondContact O-N 2.69Å; Q305-V309 VanDerWaalsContact O-N 3.12Å
306K38Very low39.5Very low151 Ų15199.8 Ų99.866%0.65752%0.517SS*.Hα-helixtrans-66.8-37.1173.4-83.1-167.1170.2-168.90113.1I302 V303 K304 V309 C310I302-K306 PolarHBondContact O-N 2.98Å; V303-K306 PolarHBondContact O-N 2.95Å; V303-K306 VanDerWaalsContact O-N 3.1Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K306-V309 PolarHBondContact O-N 3.48Å; K306-C310 PolarHBondContact O-N 3.15Å; K306-C310 VanDerWaalsContact O-N 3.07Å; K306-C310 PolarHBondContact O-SG 2.89Å
307E40.6Very low39.9Very low100 Ų100101 Ų10147%0.46752%0.519SS..Hα-helixtrans-62.9-48.2176.2-72-179.6128.400111.7V303 K304 V309 C310 E311V303-E307 PolarHBondContact O-N 3.19Å; K304-E307 PolarHBondContact O-N 3.21Å; E307-V309 VanDerWaalsContact C-N 3.32Å; E307-V309 PolarHBondContact O-N 2.93Å; E307-C310 WeakPolarHBondContact O-CB 3.45Å; E307-C310 PolarHBondContact O-N 2.98Å; E307-E311 PolarHBondContact O-N 3.31Å; E307-E311 VanDerWaalsContact O-N 3.08Å
308V40Very low40.4Very low96 Ų9697.5 Ų97.558%0.58251%0.509SS*.Hα-helixtrans-61.9-36.6177.4173.90000112.3K304 K312K304-V308 WeakPolarHBondContact O-CG2 3.44Å; K304-V308 PolarHBondContact O-N 3.14Å; K304-V308 VanDerWaalsContact O-N 3.14Å; V308-K312 PolarHBondContact O-N 3.27Å; V308-K312 VanDerWaalsContact O-N 3.13Å
309V40.6Very low41.1Very low93 Ų9397.8 Ų97.856%0.56451%0.513SS*.Hα-helixtrans-68.8-39176.1170.20000111.8Q305 K306 E307 K312 V313Q305-V309 VanDerWaalsContact O-CG2 3.31Å; Q305-V309 WeakPolarHBondContact O-CG2 3.31Å; Q305-V309 PolarHBondContact O-N 2.69Å; Q305-V309 VanDerWaalsContact O-N 3.12Å; K306-V309 PolarHBondContact O-N 3.48Å; E307-V309 VanDerWaalsContact C-N 3.32Å; E307-V309 PolarHBondContact O-N 2.93Å; V309-K312 PolarHBondContact O-N 3.32Å; V309-V313 WeakPolarHBondContact O-CG2 3.29Å; V309-V313 PolarHBondContact O-N 2.95Å; V309-V313 VanDerWaalsContact O-N 3.09Å
310C35.3Very low41.5Very low46 Ų4699.3 Ų99.331%0.31152%0.516SS..Hα-helixtrans-60.8-49.9173.7-68.30000111.6R254 K306 E307 K312 V313 D314R254-C310 PolarHBondContact NH1-SG 3.18Å; K306-C310 PolarHBondContact O-N 3.15Å; K306-C310 VanDerWaalsContact O-N 3.07Å; K306-C310 PolarHBondContact O-SG 2.89Å; E307-C310 WeakPolarHBondContact O-CB 3.45Å; E307-C310 PolarHBondContact O-N 2.98Å; C310-K312 VanDerWaalsContact C-N 3.26Å; C310-K312 PolarHBondContact O-N 2.83Å; C310-V313 PolarHBondContact O-N 2.95Å; C310-V313 VanDerWaalsContact O-N 3.12Å; C310-D314 PolarHBondContact O-N 3.4Å
311E40.1Very low41.8Very low135 Ų135102.9 Ų102.963%0.63153%0.527SS*.Hα-helixtrans-60.8-35.4-177.6-170.3165.8-139.200112.1E307 L315E307-E311 PolarHBondContact O-N 3.31Å; E307-E311 VanDerWaalsContact O-N 3.08Å; E311-L315 VanDerWaalsContact O-CD1 3.28Å; E311-L315 WeakPolarHBondContact O-CD1 3.47Å; E311-L315 PolarHBondContact O-N 3.1Å
312K39.6Very low41.9Very low130 Ų130103.1 Ų103.157%0.56553%0.532SS*.Hα-helixtrans-70.7-39.6174.4-158.2177.8-173.2-99.40113.3V308 V309 C310 L315 E316V308-K312 PolarHBondContact O-N 3.27Å; V308-K312 VanDerWaalsContact O-N 3.13Å; V309-K312 PolarHBondContact O-N 3.32Å; C310-K312 VanDerWaalsContact C-N 3.26Å; C310-K312 PolarHBondContact O-N 2.83Å; K312-L315 PolarHBondContact O-N 3.12Å; K312-E316 IonicContact NZ-OE1 2.78Å; K312-E316 PolarHBondContact NZ-OE1 3.15Å; K312-E316 WeakPolarHBondContact O-CG 3.42Å; K312-E316 PolarHBondContact O-N 3.14Å
313V45.2Very low41.8Very low69 Ų69104.8 Ų104.842%0.41855%0.552SS.*Hα-helixtrans-68.1-36.4176.9169.30000111.5V309 C310 E316 N317V309-V313 WeakPolarHBondContact O-CG2 3.29Å; V309-V313 PolarHBondContact O-N 2.95Å; V309-V313 VanDerWaalsContact O-N 3.09Å; C310-V313 PolarHBondContact O-N 2.95Å; C310-V313 VanDerWaalsContact O-N 3.12Å; V313-E316 PolarHBondContact O-N 3.07Å; V313-N317 WeakPolarHBondContact CG1-ND2 3.35Å; V313-N317 WeakPolarHBondContact O-CB 3.46Å; V313-N317 PolarHBondContact O-N 3.44Å; V313-N317 PolarHBondContact O-ND2 2.89Å; V313-N317 VanDerWaalsContact O-ND2 3.08Å
314D42.2Very low41.6Very low96 Ų96104.1 Ų104.151%0.51355%0.545SS..Hα-helixtrans-63.8-41.8173.3-73-32.9000111.3C310 I318C310-D314 PolarHBondContact O-N 3.4Å; D314-I318 WeakPolarHBondContact O-CD1 3.42Å; D314-I318 VanDerWaalsContact O-CG1 3.27Å; D314-I318 WeakPolarHBondContact O-CG1 3.35Å; D314-I318 PolarHBondContact O-N 3.09Å; D314-I318 VanDerWaalsContact O-N 3.13Å
315L45.1Very low41.7Very low112 Ų112107.1 Ų107.159%0.58656%0.561SS**Hα-helixtrans-63.2-47.7172.6-98.186.3000112.8E311 K312 N317 I318 V319E311-L315 VanDerWaalsContact O-CD1 3.28Å; E311-L315 WeakPolarHBondContact O-CD1 3.47Å; E311-L315 PolarHBondContact O-N 3.1Å; K312-L315 PolarHBondContact O-N 3.12Å; L315-N317 VanDerWaalsContact C-N 3.3Å; L315-N317 PolarHBondContact O-N 3.3Å; L315-I318 PolarHBondContact O-N 3.48Å; L315-I318 VanDerWaalsContact O-N 3.16Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 3.28Å
316E43.1Very low41.9Very low89 Ų89112.3 Ų112.342%0.41658%0.576SS.*Hα-helixtrans-63.6-36.1-178.7-74173.1-171.200111.5K312 V313 V319 N320K312-E316 IonicContact NZ-OE1 2.78Å; K312-E316 PolarHBondContact NZ-OE1 3.15Å; K312-E316 WeakPolarHBondContact O-CG 3.42Å; K312-E316 PolarHBondContact O-N 3.14Å; V313-E316 PolarHBondContact O-N 3.07Å; E316-V319 PolarHBondContact O-N 2.69Å; E316-N320 VanDerWaalsContact O-CB 3.29Å; E316-N320 WeakPolarHBondContact O-CB 3.33Å; E316-N320 PolarHBondContact O-N 3.24Å; E316-N320 PolarHBondContact O-ND2 2.73Å
317N43.4Very low42.2Very low86 Ų86109.4 Ų109.446%0.4657%0.568SS.*Hα-helixtrans-68.5-34.6173.3-75.9-38.3000113.5V313 L315 H321V313-N317 WeakPolarHBondContact CG1-ND2 3.35Å; V313-N317 WeakPolarHBondContact O-CB 3.46Å; V313-N317 PolarHBondContact O-N 3.44Å; V313-N317 PolarHBondContact O-ND2 2.89Å; V313-N317 VanDerWaalsContact O-ND2 3.08Å; L315-N317 VanDerWaalsContact C-N 3.3Å; L315-N317 PolarHBondContact O-N 3.3Å; N317-H321 PolarHBondContact O-N 3.5Å
318I48Very low42.3Very low130 Ų130106.7 Ų106.767%0.66756%0.558SS**Hα-helixtrans-66.4-42.4174.1-71.1164.5000110.7D314 L315D314-I318 WeakPolarHBondContact O-CD1 3.42Å; D314-I318 VanDerWaalsContact O-CG1 3.27Å; D314-I318 WeakPolarHBondContact O-CG1 3.35Å; D314-I318 PolarHBondContact O-N 3.09Å; D314-I318 VanDerWaalsContact O-N 3.13Å; L315-I318 PolarHBondContact O-N 3.48Å; L315-I318 VanDerWaalsContact O-N 3.16Å
319V49.6Very low42.5Very low86 Ų86106 Ų10652%0.52156%0.558SS.*Hα-helixtrans-66.1-46.2177173.70000111.3L315 E316 H321 S322L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 3.28Å; E316-V319 PolarHBondContact O-N 2.69Å; V319-H321 VanDerWaalsContact C-N 3.27Å; V319-H321 PolarHBondContact O-N 3.14Å; V319-S322 WeakPolarHBondContact O-CB 3.46Å; V319-S322 PolarHBondContact O-N 3.09Å
320N43.7Very low42.9Very low127 Ų127108.4 Ų108.468%0.67956%0.563SS**Hα-helixtrans-71.5-16-176.3-71-32.8000114.3E316E316-N320 VanDerWaalsContact O-CB 3.29Å; E316-N320 WeakPolarHBondContact O-CB 3.33Å; E316-N320 PolarHBondContact O-N 3.24Å; E316-N320 PolarHBondContact O-ND2 2.73Å
321H45.2Very low43.3Very low163 Ų163111.5 Ų111.576%0.75558%0.576SS**THydrogen-bonded Turntrans-85.3-4.4173-98.4-63.9000114.5N317 V319 S323N317-H321 PolarHBondContact O-N 3.5Å; V319-H321 VanDerWaalsContact C-N 3.27Å; V319-H321 PolarHBondContact O-N 3.14Å; H321-S323 PolarHBondContact O-N 2.78Å; H321-S323 VanDerWaalsContact O-N 3.15Å
322S38.9Very low43.6Very low54 Ų54109.5 Ų109.538%0.37857%0.568SS.*  trans-79.491.2172.3-169.70000110.9V319 D324V319-S322 WeakPolarHBondContact O-CB 3.46Å; V319-S322 PolarHBondContact O-N 3.09Å; S322-D324 PolarHBondContact O-N 3.2Å
323S38.9Very low43.9Very low127 Ų127107.1 Ų107.189%0.88857%0.568SS**  trans-77.432.5-175.466.10000114.8H321H321-S323 PolarHBondContact O-N 2.78Å; H321-S323 VanDerWaalsContact O-N 3.15Å
324D38.5Very low44Very low72 Ų72106.7 Ų106.739%0.38557%0.568SS.*  trans-137.485.1179.6-171.35.8000111.6S322 R326 N327S322-D324 PolarHBondContact O-N 3.2Å; D324-R326 PolarHBondContact O-N 3.35Å; D324-N327 PolarHBondContact O-N 3.38Å; D324-N327 PolarHBondContact OD2-ND2 2.98Å
325Q42.9Very low44.1Very low179 Ų179105.7 Ų105.784%0.83657%0.565SS**THydrogen-bonded Turntrans-66.4-0.2-172.3-71.6-173.4-26.100115.5
326R40.9Very low44.1Very low217 Ų217105.6 Ų105.682%0.81956%0.561SS**THydrogen-bonded Turntrans-97.6-17.6177.2-84.5179.6-80.1-160.2-5.8114.6D324D324-R326 PolarHBondContact O-N 3.35Å
327N44.4Very low44.2Very low90 Ų90107.5 Ų107.548%0.48157%0.57SS.*THydrogen-bonded Turntrans-102.5-8.6-179.8-69.4-34.1000113.4D324 S329 E330 L331D324-N327 PolarHBondContact O-N 3.38Å; D324-N327 PolarHBondContact OD2-ND2 2.98Å; N327-S329 PolarHBondContact O-N 2.94Å; N327-E330 PolarHBondContact O-N 3.33Å; N327-L331 WeakPolarHBondContact O-CB 3.48Å; N327-L331 PolarHBondContact O-N 3.41Å
328T43.5Very low44.1Very low43 Ų43109.9 Ų109.926%0.26458%0.579SS.*Hα-helixtrans-67.5-34.7-175.6480000113.8I332T328-I332 WeakPolarHBondContact O-CB 3.27Å; T328-I332 WeakPolarHBondContact O-CD1 3.31Å; T328-I332 WeakPolarHBondContact O-CG1 3.41Å; T328-I332 PolarHBondContact O-N 3.07Å
329S42.7Very low43.7Very low82 Ų82108.4 Ų108.457%0.57357%0.572SS**Hα-helixtrans-67-43.2176.846.40000112.5N327 S333N327-S329 PolarHBondContact O-N 2.94Å; S329-S333 WeakPolarHBondContact O-CB 3.29Å; S329-S333 PolarHBondContact O-N 3.15Å
330E49.1Very low43.3Very low143 Ų143109.9 Ų109.967%0.66858%0.576SS**Hα-helixtrans-69.7-39.2176.5-65-164.5148.300111.8N327 S333 S334N327-E330 PolarHBondContact O-N 3.33Å; E330-S333 PolarHBondContact O-N 3.31Å; E330-S334 VanDerWaalsContact O-CB 3.27Å; E330-S334 WeakPolarHBondContact O-CB 3.41Å; E330-S334 PolarHBondContact O-N 3.02Å
331L44.8Very low43.2Very low112 Ų112108.8 Ų108.859%0.58657%0.571SS**Hα-helixtrans-66.4-40.6177.5-158.975000112.1N327 S334 V335N327-L331 WeakPolarHBondContact O-CB 3.48Å; N327-L331 PolarHBondContact O-N 3.41Å; L331-S334 PolarHBondContact O-N 3.12Å; L331-V335 WeakPolarHBondContact O-CB 3.11Å; L331-V335 WeakPolarHBondContact O-CG2 3.18Å; L331-V335 PolarHBondContact O-N 3.44Å
332I46.8Very low42.8Very low93 Ų93105.7 Ų105.748%0.47757%0.567SS.*Hα-helixtrans-65.4-41.6174.3-70.9167.6000110.6T328 H336T328-I332 WeakPolarHBondContact O-CB 3.27Å; T328-I332 WeakPolarHBondContact O-CD1 3.31Å; T328-I332 WeakPolarHBondContact O-CG1 3.41Å; T328-I332 PolarHBondContact O-N 3.07Å; I332-H336 WeakPolarHBondContact O-CB 3.43Å; I332-H336 PolarHBondContact O-CD2 3.32Å; I332-H336 PolarHBondContact O-N 3.27Å
333S45.9Very low42.5Very low79 Ų79109.9 Ų109.955%0.55259%0.585SS**Hα-helixtrans-62.5-45.7175.3-168.10000111.8S329 E330 H336 H337S329-S333 WeakPolarHBondContact O-CB 3.29Å; S329-S333 PolarHBondContact O-N 3.15Å; E330-S333 PolarHBondContact O-N 3.31Å; S333-H336 PolarHBondContact O-N 2.92Å; S333-H337 VanDerWaalsContact O-CB 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.32Å; S333-H337 PolarHBondContact O-N 3.2Å
334S45.7Very low42.2Very low61 Ų61108.9 Ų108.943%0.42758%0.577SS.*Hα-helixtrans-58.8-49.6176.5172.30000112.2E330 L331 H336 H337 E338E330-S334 VanDerWaalsContact O-CB 3.27Å; E330-S334 WeakPolarHBondContact O-CB 3.41Å; E330-S334 PolarHBondContact O-N 3.02Å; L331-S334 PolarHBondContact O-N 3.12Å; S334-H336 PolarHBondContact O-N 3.07Å; S334-H337 PolarHBondContact O-N 2.93Å; S334-H337 VanDerWaalsContact O-N 3.1Å; S334-E338 PolarHBondContact O-N 3.14Å
335V45.8Very low41.9Very low74 Ų74111.1 Ų111.145%0.44860%0.596SS.*Hα-helixtrans-65-39.6179.6170.10000111.6L331 H337 L339L331-V335 WeakPolarHBondContact O-CB 3.11Å; L331-V335 WeakPolarHBondContact O-CG2 3.18Å; L331-V335 PolarHBondContact O-N 3.44Å; V335-H337 VanDerWaalsContact C-N 3.33Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-L339 WeakPolarHBondContact O-CB 3.4Å; V335-L339 PolarHBondContact O-N 3.04Å
336H45Very low41.4Very low110 Ų110110 Ų11051%0.50960%0.596SS.*Hα-helixtrans-67.2-32.4172.1-88.7-78.9000112.8I332 S333 S334 N340I332-H336 WeakPolarHBondContact O-CB 3.43Å; I332-H336 PolarHBondContact O-CD2 3.32Å; I332-H336 PolarHBondContact O-N 3.27Å; S333-H336 PolarHBondContact O-N 2.92Å; S334-H336 PolarHBondContact O-N 3.07Å; H336-N340 VanDerWaalsContact O-CB 3.28Å; H336-N340 WeakPolarHBondContact O-CB 3.46Å; H336-N340 PolarHBondContact O-N 3.48Å; H336-N340 PolarHBondContact O-ND2 3.22Å
337H44.3Very low40.9Very low129 Ų129104.4 Ų104.460%0.59759%0.588SS**Hα-helixtrans-72.9-39.7178.1-165.7-107.1000112.1S333 S334 V335 N341S333-H337 VanDerWaalsContact O-CB 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.32Å; S333-H337 PolarHBondContact O-N 3.2Å; S334-H337 PolarHBondContact O-N 2.93Å; S334-H337 VanDerWaalsContact O-N 3.1Å; V335-H337 VanDerWaalsContact C-N 3.33Å; H337-N341 PolarHBondContact CD2-ND2 2.74Å; H337-N341 PolarHBondContact CE1-ND2 3.24Å; H337-N341 PolarHBondContact ND1-ND2 2.82Å; H337-N341 PolarHBondContact NE2-ND2 2.8Å; H337-N341 VanDerWaalsContact NE2-ND2 3.2Å; H337-N341 WeakPolarHBondContact O-CB 3.43Å; H337-N341 PolarHBondContact O-N 2.83Å; H337-N341 PolarHBondContact O-ND2 3.44Å
338E42.7Very low40.2Very low137 Ų137109.2 Ų109.264%0.6461%0.607SS**Hα-helixtrans-67.7-42.4171.9-75-156.8128.800112.3S334 N340 N341 S342S334-E338 PolarHBondContact O-N 3.14Å; E338-N340 PolarHBondContact O-N 2.79Å; E338-N341 PolarHBondContact O-N 3.16Å; E338-S342 VanDerWaalsContact O-CB 3.29Å; E338-S342 WeakPolarHBondContact O-CB 3.49Å; E338-S342 PolarHBondContact O-N 3.35Å; E338-S342 PolarHBondContact O-OG 2.93Å
339L39.6Very low39.6Very low99 Ų99112.8 Ų112.852%0.51863%0.634SS.*Hα-helixtrans-61.6-42.9176.5-86.2162.7000112.1V335 L343V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-L339 WeakPolarHBondContact O-CB 3.4Å; V335-L339 PolarHBondContact O-N 3.04Å; L339-L343 WeakPolarHBondContact O-CD1 3.41Å
340N39.8Very low38.8Very low116 Ų116118.9 Ų118.962%0.6265%0.65SS**Hα-helixtrans-72-36.6179.7-71.9-21.2000112.9H336 E338 S342 L343H336-N340 VanDerWaalsContact O-CB 3.28Å; H336-N340 WeakPolarHBondContact O-CB 3.46Å; H336-N340 PolarHBondContact O-N 3.48Å; H336-N340 PolarHBondContact O-ND2 3.22Å; E338-N340 PolarHBondContact O-N 2.79Å; N340-S342 VanDerWaalsContact C-N 3.34Å; N340-L343 PolarHBondContact O-N 3.46Å
341N42.4Very low37.8Very low105 Ų105118.8 Ų118.856%0.56166%0.659SS**Hα-helixtrans-77.9-17.2177-73.5-67.7000113.5H337 E338 L343H337-N341 PolarHBondContact CD2-ND2 2.74Å; H337-N341 PolarHBondContact CE1-ND2 3.24Å; H337-N341 PolarHBondContact ND1-ND2 2.82Å; H337-N341 PolarHBondContact NE2-ND2 2.8Å; H337-N341 VanDerWaalsContact NE2-ND2 3.2Å; H337-N341 WeakPolarHBondContact O-CB 3.43Å; H337-N341 PolarHBondContact O-N 2.83Å; H337-N341 PolarHBondContact O-ND2 3.44Å; E338-N341 PolarHBondContact O-N 3.16Å; N341-L343 VanDerWaalsContact C-N 3.26Å; N341-L343 PolarHBondContact O-N 2.83Å
342S36.7Very low37.1Very low97 Ų97121.3 Ų121.368%0.67867%0.672SS**THydrogen-bonded Turntrans-76-9173.2-61.70000113.9E338 N340E338-S342 VanDerWaalsContact O-CB 3.29Å; E338-S342 WeakPolarHBondContact O-CB 3.49Å; E338-S342 PolarHBondContact O-N 3.35Å; E338-S342 PolarHBondContact O-OG 2.93Å; N340-S342 VanDerWaalsContact C-N 3.34Å
343L32.8Very low36.2Very low143 Ų143121.6 Ų121.675%0.74968%0.682SS**  trans-108.966.7176.6-80.788.2000112L339 N340 N341L339-L343 WeakPolarHBondContact O-CD1 3.41Å; N340-L343 PolarHBondContact O-N 3.46Å; N341-L343 VanDerWaalsContact C-N 3.26Å; N341-L343 PolarHBondContact O-N 2.83Å
344S31.6Very low35.4Very low105 Ų105126.1 Ų126.173%0.73470%0.699SS**  trans-102.1124.4166.8-171.20000111N346S344-N346 PolarHBondContact O-N 3.47Å
345P31.7Very low34.5Very low119 Ų119131.7 Ų131.777%0.77372%0.716SS**  trans-85.5112.6-172.832.2-33.4000112.4
346N32.3Very low33.8Very low157 Ų157136.7 Ų136.784%0.8473%0.734SS**  trans-105.7117.7169.3-161.13.1000110.2S344S344-N346 PolarHBondContact O-N 3.47Å
347P30.9Very low33.1Very low99 Ų99140.8 Ų140.864%0.64375%0.751SS**  trans-81.4-179.1-173.632.9-37000114
348Q29.5Very low32.4Very low191 Ų191139.7 Ų139.789%0.89376%0.758SS**  trans84.583.4171.1-49.1-172.619.400118.2
349S30.9Very low31.6Very low117 Ų117141.2 Ų141.282%0.81877%0.77SS**  -148146.712663.60000110
350K26.6Very low31.2Very low211 Ų211140.7 Ų140.792%0.91778%0.78SS**  trans-77.7126.1-169.1-67.8174.7178.4175.50111.9
351V28.4Very low30.8Very low140 Ų140141 Ų14185%0.84879%0.786SS**  trans-118.2123.3154179.60000107.4
352L29.7Very low30.1Very low165 Ų165141.5 Ų141.586%0.86480%0.798SS**  trans-73.4133.6179.7-78161.5000110.5L354L352-L354 PolarHBondContact O-N 3.02Å
353S27.9Very low30Very low99 Ų99142.5 Ų142.569%0.69280%0.8SS**  trans-75.3105.5-179.4-177.50000111.1K355S353-K355 PolarHBondContact O-N 2.81Å; S353-K355 WeakPolarHBondContact OG-CB 3.49Å
354L28.6Very low30Very low174 Ų174142 Ų14291%0.91180%0.798SS**  trans-77.669.4165.1-102.9170.5000110L352L352-L354 PolarHBondContact O-N 3.02Å
355K28.1Very low30Very low178 Ų178144.2 Ų144.277%0.77480%0.797SS**  trans-138.628.7179-146.4177.2-174.2-178.90113.3S353S353-K355 PolarHBondContact O-N 2.81Å; S353-K355 WeakPolarHBondContact OG-CB 3.49Å
356E30.7Very low30Very low179 Ų179144.4 Ų144.484%0.83679%0.791SS**  trans-148.546.2-172.7-150162.1-12000111.7
357F29.8Very low30Very low197 Ų197143.8 Ų143.886%0.86479%0.787SS**  trans-145.145175.7-124.1-78000113.7
358S29.2Very low29.8Very low106 Ų106146.8 Ų146.874%0.74180%0.795SS**SBendtrans-145.269.1172.563.50000111.1
359N27.2Very low29.8Very low169 Ų169143 Ų14390%0.90479%0.79SS**SBendtrans176.573.2158.5-91.6-15.5000110.3
360A30.2Very low29.7Very low87 Ų87148.3 Ų148.372%0.71979%0.792SS**  trans-155.4135167.900000112.2
361T31.4Very low29.8Very low123 Ų123142.6 Ų142.676%0.75578%0.778SS**  trans52.383.1154.6-40.50000118.3
362S28.1Very low30.1Very low115 Ų115145.1 Ų145.180%0.80478%0.781SS**  trans-76.7114.4137.554.90000109.9
363T34.5Very low30.1Very low118 Ų118142.8 Ų142.872%0.72478%0.778SS**  trans-169122.4145.818.90000112.4
364N33.2Very low30.7Very low132 Ų132143.8 Ų143.871%0.70678%0.783SS**  trans24.4119.7142.4-71.124000121.9
365E31.9Very low30.7Very low152 Ų152142 Ų14271%0.7178%0.778SS**  84.7131.1115.7-71.7-171.5-176.900123.9
366N31.2Very low30.7Very low123 Ų123143 Ų14366%0.65878%0.783SS**  91.5131.7129.6-81.5-34.1000122.7
367L31.2Very low30.9Very low144 Ų144137.6 Ų137.675%0.75478%0.775SS**  trans51.1119.6165.7-74.779.4000118.2
368M28.2Very low30.9Very low162 Ų162139.2 Ų139.280%0.79878%0.776SS**  cis95.6119.245.5-81.5-158.577.500114.4
369S28.3Very low31.1Very low112 Ų112140.6 Ų140.678%0.78378%0.78SS**  trans68.3161.7166.584.50000115.7
370R29.5Very low31.5Very low229 Ų229135.6 Ų135.686%0.86477%0.768SS**  cis-146.1164.45.5-161.4166.1172.2171.3-4.3111.1
371S28.3Very low31.7Very low91 Ų91140 Ų14064%0.63677%0.774SS**  trans-57.4151.4176.656.20000115.8
372Q34.8Very low31.8Very low192 Ų192140.3 Ų140.390%0.89777%0.77SS**  -166.4176117.6-106168.61900113.5
373S29.6Very low32Very low116 Ų116140.7 Ų140.781%0.81176%0.763SS**  trans-108.8172.7-161.4-50.40000112.7
374P40Very low32Very low121 Ų121143.6 Ų143.679%0.78677%0.766SS**  trans-93.7168.3-165.838.1-36.6000114.8
375V29.3Very low32Very low135 Ų135142.5 Ų142.582%0.81876%0.764SS**  trans178.9137.6144.3139.20000114.3
376F28.9Very low32.1Very low201 Ų201142.3 Ų142.388%0.88277%0.768SS**  trans47.3146.3155.3-89.5-108.9000126.9
377G33.7Very low32.4Very low65 Ų65142.3 Ų142.367%0.6778%0.777SS**  trans155.5105.515700000111.6
378R31.3Very low32.4Very low230 Ų230140.7 Ų140.787%0.86878%0.778SS**  55.1137.576.8-82.1-162.1-174.9-173.63.4115.1
379T32.1Very low32.6Very low136 Ų136141.3 Ų141.383%0.83478%0.784SS**  cis-176.1154.6-20.313.50000108
380G36.1Very low33Very low64 Ų64140 Ų14066%0.6678%0.78SS**  trans151124.9171.600000111.3
381E34.4Very low33Very low180 Ų180137.8 Ų137.884%0.84178%0.784SS**  75.6134.364.4-72.8-166.8100.100114.5
382L32.9Very low33.3Very low129 Ų129137.4 Ų137.468%0.67580%0.795SS**  cis-166.8160.7-17.6-125-179.3000111
383N32.7Very low33.3Very low122 Ų122131.4 Ų131.465%0.65279%0.785SS**  trans78.6144.1146.6-92.3-39.4000125.1
384K34.9Very low33.6Very low180 Ų180132.5 Ų132.578%0.78379%0.787SS**  trans74.7145.3147-74.1171.7-177.2178.70121.2
385T33.4Very low33.4Very low108 Ų108136.9 Ų136.966%0.66379%0.793SS**  cis-172.6150.6-3214.60000110.4
386N34.4Very low33.5Very low148 Ų148135.7 Ų135.779%0.79179%0.791SS**  trans67.4162.4162.2-50.6-16.6000116
387S35.9Very low34Very low123 Ų123136.1 Ų136.186%0.8679%0.793SS**  cis-143.1175.416.6-60.20000113.2
388S32.3Very low33.9Very low110 Ų110137.6 Ų137.677%0.76979%0.793SS**  trans-109.6165.1-177.155.20000114.6
389L32.6Very low34Very low175 Ų175135 Ų13592%0.91680%0.795SS**  trans163.3152.6158.5-91.3156.8000108.6
390A35Very low34.1Very low86 Ų86132.3 Ų132.371%0.71180%0.795SS**  cis-152.1-174.5-600000110.8
391L30.6Very low34Very low181 Ų181136.6 Ų136.695%0.94880%0.803SS**  trans-104.6160.3-170.1-70.580.9000115.8
392G34.6Very low34Very low83 Ų83136 Ų13686%0.85680%0.797SS**  trans126143.3151.300000115.9
393G34.1Very low34.2Very low67 Ų67136.4 Ų136.469%0.69180%0.8SS**  cis175135.4-9.800000115.1
394T36.5Very low34.2Very low139 Ų139139.9 Ų139.985%0.85381%0.813SS**  trans60.2125.3159.468.60000122.1
395K36.2Very low34Very low212 Ų212134.5 Ų134.592%0.92281%0.808SS**  -165.9154.3111.7-107.3170.3-175.9171.50111
396S31Very low34Very low111 Ų111139.4 Ų139.478%0.77682%0.82SS**  trans-143149.1-175.3-179.70000111.6
397K38.6Very low33.6Very low210 Ų210137.8 Ų137.891%0.91382%0.821SS**  trans-145.8153.9160.3-83.5-163173.2-174.70108.9
398S31.7Very low33.4Very low96 Ų96139.4 Ų139.467%0.67182%0.819SS**  trans-141.6175.2-158.957.40000113.7
399L34.5Very low33.1Very low174 Ų174141.5 Ų141.591%0.91182%0.821SS**  trans72.2125.1160.9-72.3156.8000118.5
400G34Very low33.1Very low81 Ų81142.6 Ų142.684%0.83582%0.818SS**  trans175112.2171.800000108.3
401N33.9Very low33Very low154 Ų154141.9 Ų141.982%0.82482%0.82SS**  trans-112.1172.6-161.5-158.7-2.4000112.2
402K34.8Very low32.9Very low166 Ų166139.2 Ų139.272%0.72281%0.811SS**  trans76.5154.9167.8-70.8-177.1171.2-166.90117.8
403D36.5Very low32.8Very low139 Ų139142.8 Ų142.874%0.74381%0.811SS**  cis-140.3175.86.8-114.9-32.3000113.5
404Q31.7Very low32.6Very low195 Ų195144 Ų14491%0.91181%0.814SS**  trans-105.5164.9-177.2-59.8177-10.800114.1
405G31.7Very low32.5Very low67 Ų67142.7 Ų142.769%0.69181%0.808SS**  trans160.4129.814800000119.3
406K33.8Very low32.2Very low210 Ų210141.6 Ų141.691%0.91380%0.803SS**  trans66.3115.2160.2-52.5172.7-172.9176.10115.6
407S26.5Very low32.1Very low114 Ų114146.4 Ų146.480%0.79781%0.806SS**  cis72.1113.626.2-163.30000116.6
408L31.7Very low31.8Very low157 Ų157143.4 Ų143.482%0.82280%0.798SS**  trans-162.6136.1136.6-111170.5000109.9F410L408-F410 HydrophobicContact CD2-CD2 4.18Å; L408-F410 HydrophobicContact CD2-CE2 4.48Å
409L25.8Very low31.8Very low155 Ų155143 Ų14381%0.81280%0.796SS**  trans-153.9104.4-177-160.1179.8000110.6
410F32.8Very low31.5Very low197 Ų197138.8 Ų138.886%0.86478%0.781SS**  trans-156156.8169.8-73.2-77.7000107.3L408L408-F410 HydrophobicContact CD2-CD2 4.18Å; L408-F410 HydrophobicContact CD2-CE2 4.48Å
411G32.1Very low31.4Very low72 Ų72142.7 Ų142.774%0.74278%0.777SS**  cis-173.1162.8-2.900000108.9
412T28.6Very low31.4Very low125 Ų125141 Ų14177%0.76777%0.768SS**  trans-87.6152.2-171.256.20000113.8
413N33Very low31.1Very low158 Ų158138.3 Ų138.385%0.84577%0.77SS**  164.6160.5121.5-77.9-14.8000113.6
414A28.1Very low31.1Very low91 Ų91136.9 Ų136.975%0.75278%0.778SS**  trans-121.7-169.1171.900000108
415P36.2Very low31Very low113 Ų113131 Ų13173%0.73477%0.77SS**  cis-142.2-176.24.444.1-24.5000117.3
416K29Very low31Very low188 Ų188137.3 Ų137.382%0.81778%0.778SS**  trans24134.9149.3-67.1178.2177.4-1790121.5
417Y30.2Very low30.9Very low212 Ų212134 Ų13483%0.83177%0.771SS**  -176149.1113-107.8-61.7000114.7
418I31.8Very low31Very low147 Ų147133.2 Ų133.275%0.75477%0.765SS**  trans51.8145.2144.7-87.8156.5000121.1
419S30.2Very low31.1Very low89 Ų89133.6 Ų133.662%0.62277%0.768SS**  cis-167.2-178.7-27.862.60000109.3
420S28.4Very low31.2Very low85 Ų85132.6 Ų132.659%0.59476%0.762SS**  trans28.7130149.157.90000119.9
421E33.4Very low31.2Very low162 Ų162130.4 Ų130.476%0.75776%0.759SS**  cis-176.5-164.416.2-123155.2-103.500108.2
422N32.9Very low31Very low120 Ų120130.8 Ų130.864%0.64275%0.75SS**  cis-153140.57.6-135.5-38000114.6
423S29.6Very low31.1Very low108 Ų108130.6 Ų130.676%0.75575%0.749SS**  trans21.9109.8141.5-54.60000124.1
424A35Very low30.8Very low110 Ų110129.3 Ų129.391%0.90975%0.747SS**  177.5138.1128.100000110.3
425G30.7Very low30.8Very low72 Ų72130.8 Ų130.874%0.74275%0.746SS**  cis143.783.5-10.800000114.3
426F32Very low30.3Very low199 Ų199129.2 Ų129.287%0.87374%0.743SS**  trans-154.4156.4146.2-136.5-95.2000112.5
427N31.2Very low30.1Very low140 Ų140125.9 Ų125.975%0.74974%0.738SS**  trans-91.1154.3-158-69.4-48000115.5
428S29Very low30Very low97 Ų97123.1 Ų123.168%0.67874%0.738SS**  trans-62.2156.7159.551.90000111.8
429N32.4Very low29.8Very low165 Ų165122.4 Ų122.488%0.88274%0.74SS**  trans-143.3127.8146.7-123.9-26.4000109.5
430I29.3Very low29.9Very low135 Ų135123.2 Ų123.269%0.69274%0.743SS**  trans-106.6124.8-174.7-67.6169.7000108.4
431N32.9Very low29.8Very low151 Ų151123.8 Ų123.881%0.80775%0.753SS**  trans-144.1109.2152.6-83.1-50.6000106.7
432S27.7Very low29.6Very low79 Ų79125.4 Ų125.455%0.55276%0.758SS**  cis81.3147.647.290.70000112.8
433V30.3Very low29.3Very low121 Ų121126 Ų12673%0.73377%0.765SS**  trans67.8106.7-177.8-172.50000113
434V26.4Very low29.1Very low132 Ų132127.4 Ų127.480%0.877%0.769SS**  cis72.7149.537.8-168.80000113
435T28.9Very low28.8Very low122 Ų122126 Ų12675%0.74875%0.753SS**  trans80.593-177.1-33.40000112.4
436A26Very low28.9Very low80 Ų80129.7 Ų129.766%0.66176%0.756SS**  85.9139.861.900000114.3
437T25.2Very low28.7Very low117 Ų117130.2 Ų130.272%0.71875%0.752SS**  trans36.1110.3158.154.40000118.9
438N27.6Very low28.8Very low155 Ų155129.7 Ų129.783%0.82975%0.749SS**  -176.5151103.3-91.8-39.8000113.2
439V26.8Very low28.9Very low131 Ų131135 Ų13579%0.79475%0.754SS**  trans-89.9128.21671710000109.1
440P31.6Very low28.7Very low106 Ų106134.5 Ų134.569%0.68875%0.751SS**  trans-108.491.116234.8-25.1000110.3K442P440-K442 PolarHBondContact O-N 3.49Å; P440-K442 VanDerWaalsContact O-N 3.17Å
441A27Very low28.7Very low97 Ų97131.1 Ų131.180%0.80275%0.749SS**  trans-70.1105154.500000107
442K30.2Very low28.6Very low197 Ų197130.2 Ų130.286%0.85775%0.749SS**  trans-120.9113.7175.6-97.4-173172.5-177.70111.8P440P440-K442 PolarHBondContact O-N 3.49Å; P440-K442 VanDerWaalsContact O-N 3.17Å
443T24.9Very low28.6Very low131 Ų131135.3 Ų135.380%0.80476%0.761SS**  trans-75.3-165163.244.40000110.5
444V27.4Very low28.6Very low138 Ų138133.5 Ų133.584%0.83675%0.754SS**  trans89.1132.3-178.2-173.30000113.3
445S28.2Very low28.7Very low81 Ų81133 Ų13357%0.56675%0.747SS**  cis169122.1-40.1157.90000107.5
446D32.4Very low28.9Very low150 Ų150135.1 Ų135.180%0.80275%0.748SS**  trans-153.2127.1142.6-91.1-36.2000105
447R28.8Very low29Very low210 Ų210138.1 Ų138.179%0.79275%0.752SS**  56.2125.755.8-68.7-172.1168.5176.3-2.4110.8
448D32.6Very low29.3Very low129 Ų129139 Ų13969%0.6976%0.757SS**  cis-109.8142.128.8-93.1-34.6000114.8
449R29.9Very low29.4Very low209 Ų209136.5 Ų136.579%0.78975%0.75SS**  59.6146.3101.4-62.9174.2158.3-156.6-6.4115.4
450L28.1Very low29.4Very low154 Ų154137.9 Ų137.981%0.80675%0.752SS**  cis-165.1151.9-13.5-106.3164.3000104.9
451G29.6Very low29.2Very low64 Ų64141.6 Ų141.666%0.6677%0.765SS**  cis-164.3158.9-4.200000110.3
452T31Very low29.2Very low131 Ų131141 Ų14180%0.80477%0.768SS**  trans-85.9153.3-179.449.40000112.7
453K28.5Very low29.2Very low186 Ų186136.8 Ų136.881%0.80976%0.763SS**  174135.1119.3-90.4176.9179.6-174.90109.6
454S29.8Very low29.5Very low83 Ų83137 Ų13758%0.5876%0.755SS**  78.714559.1100.80000112.1
455D28.8Very low29.7Very low123 Ų123134.3 Ų134.366%0.65875%0.747SS**  cis-143.4157.98.4-88.8-63.9000111.8
456H32.4Very low29.8Very low165 Ų165139.9 Ų139.976%0.76476%0.758SS**  172.7123.2109.6-92.5-66.5000114.6
457L27.8Very low30.2Very low144 Ų144136.1 Ų136.175%0.75474%0.743SS**  trans39.7110.4136.2-57.1171.6000119.9
458T32.5Very low30.6Very low134 Ų134129.8 Ų129.882%0.82273%0.725SS**  -173.9135.5102.7-70.30000108.9
459P28.9Very low31.2Very low104 Ų104127.9 Ų127.968%0.67572%0.717SS**  trans-95.2172.9-17339.9-38000113.5
460L26.7Very low31.9Very low160 Ų160122.7 Ų122.784%0.83871%0.706SS**  trans61.6103.8165.5-56.1172.1000117.3
461L26.9Very low32.6Very low184 Ų184119.7 Ų119.796%0.96369%0.69SS**  trans177.1116.6141.9-99.5155.5000109.2
462G27.9Very low33.6Very low83 Ų83121.1 Ų121.186%0.85668%0.681SS**SBendtrans177.7-1.1-178.400000119.6
463S30.5Very low34.4Very low109 Ų109122.9 Ų122.976%0.76267%0.673SS**SBendtrans-135.4-8.5-172520000116.8
464Q31.8Very low35.3Very low136 Ų136115.7 Ų115.764%0.63665%0.652SS**SBendtrans-98.3-20.9-175.1-70.8172.2-72.100114.8Y466 S467 D468Q464-Y466 VanDerWaalsContact C-N 3.27Å; Q464-Y466 PolarHBondContact O-N 3.44Å; Q464-Y466 VanDerWaalsContact O-N 3.12Å; Q464-S467 PolarHBondContact O-N 2.95Å; Q464-S467 PolarHBondContact O-OG 2.87Å; Q464-S467 VanDerWaalsContact O-OG 3.14Å; Q464-D468 PolarHBondContact O-N 2.96Å
465A29.6Very low36.1Very low81 Ų81119.4 Ų119.467%0.66965%0.653SS**THydrogen-bonded Turntrans-67.5-16.7-168.800000115.8V469A465-V469 VanDerWaalsContact O-CG2 3.3Å; A465-V469 WeakPolarHBondContact O-CG2 3.4Å
466Y31.5Very low37.1Very low199 Ų199119.2 Ų119.278%0.7865%0.649SS**THydrogen-bonded Turntrans-98.7-31.5-178.6-116.7-86.6000113.9Q464Q464-Y466 VanDerWaalsContact C-N 3.27Å; Q464-Y466 PolarHBondContact O-N 3.44Å; Q464-Y466 VanDerWaalsContact O-N 3.12Å
467S40.8Very low37.8Very low70 Ų70116.3 Ų116.349%0.4964%0.638SS.*Hα-helixtrans-70.4-40.2175.947.20000111.8Q464 L471Q464-S467 PolarHBondContact O-N 2.95Å; Q464-S467 PolarHBondContact O-OG 2.87Å; Q464-S467 VanDerWaalsContact O-OG 3.14Å; S467-L471 WeakPolarHBondContact O-CB 3.33Å; S467-L471 PolarHBondContact O-N 3.25Å
468D36.8Very low38.7Very low77 Ų77115.7 Ų115.741%0.41263%0.631SS.*Hα-helixtrans-72.1-32.2-176.6-72.5-24.5000112.4Q464 L471 I472Q464-D468 PolarHBondContact O-N 2.96Å; D468-L471 PolarHBondContact O-N 3.4Å; D468-I472 HydrophobicContact CB-CD1 4.41Å; D468-I472 WeakPolarHBondContact O-CB 3.42Å; D468-I472 WeakPolarHBondContact O-CD1 3.43Å; D468-I472 WeakPolarHBondContact O-CG1 3.27Å; D468-I472 PolarHBondContact O-N 3.02Å
469V46Very low39.8Very low89 Ų89116.4 Ų116.454%0.53962%0.623SS.*Hα-helixtrans-63.2-46.7176.3172.10000111.3A465 R473A465-V469 VanDerWaalsContact O-CG2 3.3Å; A465-V469 WeakPolarHBondContact O-CG2 3.4Å; V469-R473 VanDerWaalsContact O-CB 3.25Å; V469-R473 WeakPolarHBondContact O-CB 3.5Å; V469-R473 PolarHBondContact O-N 2.97Å
470D43.6Very low40.6Very low101 Ų101115.5 Ų115.554%0.5461%0.612SS.*Hα-helixtrans-70.4-34.5176.6-82.2-26.5000112.3R473 G474D470-R473 PolarHBondContact O-N 3.13Å; D470-G474 PolarHBondContact O-N 2.85Å
471L44.1Very low41.6Very low90 Ų90111.5 Ų111.547%0.47160%0.595SS.*Hα-helixtrans-68.4-39.7175.6-165.671.3000112.2S467 D468 G474 R475S467-L471 WeakPolarHBondContact O-CB 3.33Å; S467-L471 PolarHBondContact O-N 3.25Å; D468-L471 PolarHBondContact O-N 3.4Å; L471-G474 PolarHBondContact O-N 3.31Å; L471-R475 WeakPolarHBondContact O-CG 3.33Å; L471-R475 PolarHBondContact O-N 3.33Å
472I50.5Low42.9Very low95 Ų95107.6 Ų107.649%0.48757%0.574SS.*Hα-helixtrans-66-44.2173.2-71.4164.2000109.7D468 G474 R475 Q476D468-I472 HydrophobicContact CB-CD1 4.41Å; D468-I472 WeakPolarHBondContact O-CB 3.42Å; D468-I472 WeakPolarHBondContact O-CD1 3.43Å; D468-I472 WeakPolarHBondContact O-CG1 3.27Å; D468-I472 PolarHBondContact O-N 3.02Å; I472-G474 VanDerWaalsContact C-N 3.3Å; I472-G474 PolarHBondContact O-N 3Å; I472-R475 PolarHBondContact O-N 2.88Å; I472-Q476 HydrophobicContact CG2-CG 4.12Å; I472-Q476 WeakPolarHBondContact O-CB 3.36Å; I472-Q476 WeakPolarHBondContact O-CG 3.45Å; I472-Q476 PolarHBondContact O-N 3.35Å
473R47.4Very low44.1Very low167 Ų167107.8 Ų107.863%0.6355%0.552SS**Hα-helixtrans-61.2-39176-161.8177-159.8171.65.8111.8V469 D470 Q476 L477V469-R473 VanDerWaalsContact O-CB 3.25Å; V469-R473 WeakPolarHBondContact O-CB 3.5Å; V469-R473 PolarHBondContact O-N 2.97Å; D470-R473 PolarHBondContact O-N 3.13Å; R473-Q476 PolarHBondContact O-N 3.46Å; R473-L477 WeakPolarHBondContact O-CB 3.43Å; R473-L477 WeakPolarHBondContact O-CG 3.44Å; R473-L477 PolarHBondContact O-N 2.8Å
474G46.2Very low44.8Very low36 Ų36107.4 Ų107.437%0.37154%0.542SS..Hα-helixtrans-59.2-51.8170.600000112.6D470 L471 I472 Q476 L477 Q478D470-G474 PolarHBondContact O-N 2.85Å; L471-G474 PolarHBondContact O-N 3.31Å; I472-G474 VanDerWaalsContact C-N 3.3Å; I472-G474 PolarHBondContact O-N 3Å; G474-Q476 VanDerWaalsContact C-N 3.35Å; G474-Q476 PolarHBondContact O-N 3.05Å; G474-L477 PolarHBondContact O-N 2.92Å; G474-Q478 WeakPolarHBondContact O-CB 3.17Å; G474-Q478 PolarHBondContact O-N 3.29Å
475R47.3Very low45.5Very low160 Ų160106.7 Ų106.760%0.60454%0.538SS*.Hα-helixtrans-64.2-35.8177.5-66.4-174.9-146.3-167.99.4113L471 I472 Q478 K479L471-R475 WeakPolarHBondContact O-CG 3.33Å; L471-R475 PolarHBondContact O-N 3.33Å; I472-R475 PolarHBondContact O-N 2.88Å; R475-Q478 PolarHBondContact O-N 3.3Å; R475-K479 PolarHBondContact O-N 3.14Å
476Q49.3Very low46.2Very low119 Ų119105.6 Ų105.656%0.55653%0.526SS*.Hα-helixtrans-62.4-49.5174.6-73.1-93.5-11.100110.9I472 R473 G474 Q478 K479 L480I472-Q476 HydrophobicContact CG2-CG 4.12Å; I472-Q476 WeakPolarHBondContact O-CB 3.36Å; I472-Q476 WeakPolarHBondContact O-CG 3.45Å; I472-Q476 PolarHBondContact O-N 3.35Å; R473-Q476 PolarHBondContact O-N 3.46Å; G474-Q476 VanDerWaalsContact C-N 3.35Å; G474-Q476 PolarHBondContact O-N 3.05Å; Q476-Q478 VanDerWaalsContact C-N 3.31Å; Q476-Q478 PolarHBondContact O-N 3.36Å; Q476-K479 PolarHBondContact O-N 3.46Å; Q476-L480 WeakPolarHBondContact O-CG 3.41Å; Q476-L480 PolarHBondContact O-N 3.24Å
477L46.9Very low47Very low105 Ų105101.8 Ų101.855%0.5551%0.513SS..Hα-helixtrans-62.4-36.9175.2-73168.9000112.4R473 G474 L480 T481R473-L477 WeakPolarHBondContact O-CB 3.43Å; R473-L477 WeakPolarHBondContact O-CG 3.44Å; R473-L477 PolarHBondContact O-N 2.8Å; G474-L477 PolarHBondContact O-N 2.92Å; L477-L480 PolarHBondContact O-N 2.9Å; L477-T481 WeakPolarHBondContact O-CB 3.47Å; L477-T481 PolarHBondContact O-N 2.83Å; L477-T481 PolarHBondContact O-OG1 3.43Å
478Q48.3Very low47Very low130 Ų130100.6 Ų100.661%0.60751%0.505SS*.Hα-helixtrans-67.9-42.4176.7-156.6170.526.200111.8G474 R475 Q476 T481 I482G474-Q478 WeakPolarHBondContact O-CB 3.17Å; G474-Q478 PolarHBondContact O-N 3.29Å; R475-Q478 PolarHBondContact O-N 3.3Å; Q476-Q478 VanDerWaalsContact C-N 3.31Å; Q476-Q478 PolarHBondContact O-N 3.36Å; Q478-T481 PolarHBondContact O-N 3.49Å; Q478-I482 WeakPolarHBondContact O-CG1 3.49Å; Q478-I482 PolarHBondContact O-N 2.88Å
479K54.6Low47.4Very low149 Ų149100.3 Ų100.365%0.64851%0.509SS*.Hα-helixtrans-59.4-48.1170.2-85.9-164.3171.4-1670112.2R475 Q476 T481 I482 E483R475-K479 PolarHBondContact O-N 3.14Å; Q476-K479 PolarHBondContact O-N 3.46Å; K479-T481 PolarHBondContact O-N 3.31Å; K479-I482 PolarHBondContact O-N 3.07Å; K479-I482 VanDerWaalsContact O-N 3.14Å; K479-E483 PolarHBondContact O-N 3.34Å
480L46.6Very low47.5Very low86 Ų86101 Ų10145%0.4551%0.51SS..Hα-helixtrans-61.8-32.7178.3-72.2167.7000112.4Q476 L477 N484Q476-L480 WeakPolarHBondContact O-CG 3.41Å; Q476-L480 PolarHBondContact O-N 3.24Å; L477-L480 PolarHBondContact O-N 2.9Å; L480-N484 VanDerWaalsContact O-CB 3.31Å; L480-N484 WeakPolarHBondContact O-CB 3.47Å; L480-N484 VanDerWaalsContact O-CG 3.25Å; L480-N484 PolarHBondContact O-N 3.16Å; L480-N484 PolarHBondContact O-ND2 3.28Å
481T46Very low47.8Very low76 Ų7698.9 Ų98.947%0.46650%0.502SS..Hα-helixtrans-69.9-43.5174.1-58.20000111.3L477 Q478 K479 N484 Q485L477-T481 WeakPolarHBondContact O-CB 3.47Å; L477-T481 PolarHBondContact O-N 2.83Å; L477-T481 PolarHBondContact O-OG1 3.43Å; Q478-T481 PolarHBondContact O-N 3.49Å; K479-T481 PolarHBondContact O-N 3.31Å; T481-N484 PolarHBondContact O-N 2.91Å; T481-Q485 WeakPolarHBondContact O-CB 3.03Å; T481-Q485 WeakPolarHBondContact O-CG 3.18Å; T481-Q485 PolarHBondContact O-N 3.09Å
482I56.2Low47.7Very low102 Ų10299 Ų9952%0.52350%0.503SS..Hα-helixtrans-65-41.8176.6-67.8163.8000111.2Q478 K479 Q485 S486Q478-I482 WeakPolarHBondContact O-CG1 3.49Å; Q478-I482 PolarHBondContact O-N 2.88Å; K479-I482 PolarHBondContact O-N 3.07Å; K479-I482 VanDerWaalsContact O-N 3.14Å; I482-Q485 PolarHBondContact O-N 3.12Å; I482-S486 PolarHBondContact O-N 2.88Å; I482-S486 PolarHBondContact O-OG 3.33Å
483E52.9Low47.6Very low86 Ų8699.6 Ų99.640%0.40250%0.504SS..Hα-helixtrans-65.4-39.2174.7-78.6-171.2-145.800113K479 Q485 S486 K487K479-E483 PolarHBondContact O-N 3.34Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-S486 PolarHBondContact O-N 3.43Å; E483-S486 PolarHBondContact O-OG 2.92Å; E483-S486 VanDerWaalsContact O-OG 3.07Å; E483-K487 VanDerWaalsContact O-CB 3.29Å; E483-K487 WeakPolarHBondContact O-CB 3.44Å; E483-K487 VanDerWaalsContact O-CD 3.32Å; E483-K487 WeakPolarHBondContact O-CD 3.46Å; E483-K487 WeakPolarHBondContact O-CG 3.22Å; E483-K487 PolarHBondContact O-N 3.06Å; E483-K487 IonicContact OE2-NZ 2.77Å; E483-K487 PolarHBondContact OE2-NZ 3.04Å
484N45.2Very low47.9Very low102 Ų10296.5 Ų96.555%0.54550%0.499SS..Hα-helixtrans-70.9-31.1175.5-75.2-22.8000111.6L480 T481 S488L480-N484 VanDerWaalsContact O-CB 3.31Å; L480-N484 WeakPolarHBondContact O-CB 3.47Å; L480-N484 VanDerWaalsContact O-CG 3.25Å; L480-N484 PolarHBondContact O-N 3.16Å; L480-N484 PolarHBondContact O-ND2 3.28Å; T481-N484 PolarHBondContact O-N 2.91Å; N484-S488 WeakPolarHBondContact O-CB 3.43Å; N484-S488 PolarHBondContact O-N 2.93Å
485Q45.4Very low47.7Very low121 Ų121102.2 Ų102.257%0.56551%0.51SS*.Hα-helixtrans-66.7-45.4169.8-77.3179.1-14.200111.7T481 I482 E483 S488 S489T481-Q485 WeakPolarHBondContact O-CB 3.03Å; T481-Q485 WeakPolarHBondContact O-CG 3.18Å; T481-Q485 PolarHBondContact O-N 3.09Å; I482-Q485 PolarHBondContact O-N 3.12Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; Q485-S488 WeakPolarHBondContact O-CB 3.5Å; Q485-S488 PolarHBondContact O-N 3.05Å; Q485-S489 PolarHBondContact O-N 2.99Å; Q485-S489 PolarHBondContact O-OG 2.62Å
486S44.6Very low47.8Very low57 Ų57100.3 Ų100.340%0.39951%0.507SS..Hα-helixtrans-66.9-40.3177.6670000112.5I482 E483 S488 S489 N490I482-S486 PolarHBondContact O-N 2.88Å; I482-S486 PolarHBondContact O-OG 3.33Å; E483-S486 PolarHBondContact O-N 3.43Å; E483-S486 PolarHBondContact O-OG 2.92Å; E483-S486 VanDerWaalsContact O-OG 3.07Å; S486-S488 VanDerWaalsContact C-N 3.32Å; S486-S488 PolarHBondContact O-N 2.99Å; S486-S489 PolarHBondContact O-N 2.75Å; S486-N490 WeakPolarHBondContact O-CB 3.36Å; S486-N490 VanDerWaalsContact O-CG 3.28Å; S486-N490 PolarHBondContact O-N 2.89Å; S486-N490 PolarHBondContact O-OD1 2.8Å
487K48.6Very low48.1Very low119 Ų119100.2 Ų100.252%0.51751%0.507SS..Hα-helixtrans-63.1-36.2172-70.3161.1-176.7158.60112E483 S491E483-K487 VanDerWaalsContact O-CB 3.29Å; E483-K487 WeakPolarHBondContact O-CB 3.44Å; E483-K487 VanDerWaalsContact O-CD 3.32Å; E483-K487 WeakPolarHBondContact O-CD 3.46Å; E483-K487 WeakPolarHBondContact O-CG 3.22Å; E483-K487 PolarHBondContact O-N 3.06Å; E483-K487 IonicContact OE2-NZ 2.77Å; E483-K487 PolarHBondContact OE2-NZ 3.04Å; K487-S491 PolarHBondContact O-N 3.27Å; K487-S491 VanDerWaalsContact O-N 3.12Å; K487-S491 PolarHBondContact O-OG 3.14Å
488S40.7Very low48.2Very low46 Ų46100.1 Ų100.132%0.32251%0.507SS..Hα-helixtrans-69.3-41.1173.2-174.90000112.7N484 Q485 S486 S491 L492N484-S488 WeakPolarHBondContact O-CB 3.43Å; N484-S488 PolarHBondContact O-N 2.93Å; Q485-S488 WeakPolarHBondContact O-CB 3.5Å; Q485-S488 PolarHBondContact O-N 3.05Å; S486-S488 VanDerWaalsContact C-N 3.32Å; S486-S488 PolarHBondContact O-N 2.99Å; S488-S491 PolarHBondContact O-OG 3.34Å; S488-L492 WeakPolarHBondContact O-CB 3.48Å; S488-L492 PolarHBondContact O-N 3.26Å
489S44.9Very low48.1Very low71 Ų71100.1 Ų100.150%0.49751%0.507SS..Hα-helixtrans-67-42.1177.7-65.30000111.2Q485 S486 L492 H493Q485-S489 PolarHBondContact O-N 2.99Å; Q485-S489 PolarHBondContact O-OG 2.62Å; S486-S489 PolarHBondContact O-N 2.75Å; S489-L492 PolarHBondContact O-N 2.63Å; S489-H493 WeakPolarHBondContact O-CB 3.45Å; S489-H493 PolarHBondContact O-N 2.77Å
490N48.3Very low47.6Very low104 Ų10496.2 Ų96.256%0.55650%0.498SS*.Hα-helixtrans-66-38.8177.6-69.81.1000112S486 H493 L494S486-N490 WeakPolarHBondContact O-CB 3.36Å; S486-N490 VanDerWaalsContact O-CG 3.28Å; S486-N490 PolarHBondContact O-N 2.89Å; S486-N490 PolarHBondContact O-OD1 2.8Å; N490-H493 PolarHBondContact O-N 3.22Å; N490-L494 WeakPolarHBondContact O-CB 3.33Å; N490-L494 PolarHBondContact O-N 3.11Å
491S49Very low47.7Very low55 Ų5594.3 Ų94.339%0.38550%0.495SS..Hα-helixtrans-72.2-29.5176.469.80000113.4K487 S488 R495K487-S491 PolarHBondContact O-N 3.27Å; K487-S491 VanDerWaalsContact O-N 3.12Å; K487-S491 PolarHBondContact O-OG 3.14Å; S488-S491 PolarHBondContact O-OG 3.34Å; S491-R495 WeakPolarHBondContact O-CB 3.37Å; S491-R495 WeakPolarHBondContact O-CG 3.42Å; S491-R495 PolarHBondContact O-N 2.98Å; S491-R495 VanDerWaalsContact O-N 3.09Å
492L43Very low47.8Very low92 Ų9294.9 Ų94.948%0.48250%0.499SS..Hα-helixtrans-66.5-44.4167.3-86162.2000111.8S488 S489 L494 R495 Q496S488-L492 WeakPolarHBondContact O-CB 3.48Å; S488-L492 PolarHBondContact O-N 3.26Å; S489-L492 PolarHBondContact O-N 2.63Å; L492-L494 PolarHBondContact O-N 3.09Å; L492-R495 PolarHBondContact O-N 2.97Å; L492-Q496 WeakPolarHBondContact O-CG 3.34Å; L492-Q496 PolarHBondContact O-N 3.14Å
493H49.3Very low47.2Very low109 Ų10993.1 Ų93.151%0.50549%0.492SS..Hα-helixtrans-66.6-37.9-178.1-148-34.5000112.2S489 N490 Q496 Q497S489-H493 WeakPolarHBondContact O-CB 3.45Å; S489-H493 PolarHBondContact O-N 2.77Å; N490-H493 PolarHBondContact O-N 3.22Å; H493-Q496 PolarHBondContact O-N 3.37Å; H493-Q497 PolarHBondContact O-N 3.37Å; H493-Q497 VanDerWaalsContact O-N 3.09Å
494L52Low46.7Very low101 Ų10195.9 Ų95.953%0.52951%0.506SS..Hα-helixtrans-64.1-48.1170.5-89.3153.7000112N490 L492 Q496 Q497 D498N490-L494 WeakPolarHBondContact O-CB 3.33Å; N490-L494 PolarHBondContact O-N 3.11Å; L492-L494 PolarHBondContact O-N 3.09Å; L494-Q496 VanDerWaalsContact C-N 3.26Å; L494-Q496 PolarHBondContact O-N 3.02Å; L494-Q497 PolarHBondContact O-N 3.24Å; L494-D498 PolarHBondContact O-N 3.06Å
495R42.5Very low46.6Very low157 Ų15796.5 Ų96.559%0.59251%0.507SS*.Hα-helixtrans-61.5-33.1176.6-79.1179.1174.9176.51.5113S491 L492 Q499S491-R495 WeakPolarHBondContact O-CB 3.37Å; S491-R495 WeakPolarHBondContact O-CG 3.42Å; S491-R495 PolarHBondContact O-N 2.98Å; S491-R495 VanDerWaalsContact O-N 3.09Å; L492-R495 PolarHBondContact O-N 2.97Å; R495-Q499 WeakPolarHBondContact O-CB 3.48Å; R495-Q499 VanDerWaalsContact O-CG 3.29Å; R495-Q499 WeakPolarHBondContact O-CG 3.43Å; R495-Q499 PolarHBondContact O-N 2.84Å
496Q50.4Low46.2Very low119 Ų11993.9 Ų93.956%0.55651%0.507SS*.Hα-helixtrans-69.2-38.3173.1-76.2178.4-35.800111.8L492 H493 L494 Q499 S500L492-Q496 WeakPolarHBondContact O-CG 3.34Å; L492-Q496 PolarHBondContact O-N 3.14Å; H493-Q496 PolarHBondContact O-N 3.37Å; L494-Q496 VanDerWaalsContact C-N 3.26Å; L494-Q496 PolarHBondContact O-N 3.02Å; Q496-Q499 PolarHBondContact O-N 2.93Å; Q496-S500 PolarHBondContact O-N 2.99Å; Q496-S500 PolarHBondContact O-OG 3.2Å; Q496-S500 VanDerWaalsContact O-OG 3.09Å
497Q53.8Low45.9Very low117 Ų11799.7 Ų99.755%0.54752%0.52SS..Hα-helixtrans-64.4-45.9173.5-74.4-175.6-69.700112.3H493 L494 Q499 S500 A501H493-Q497 PolarHBondContact O-N 3.37Å; H493-Q497 VanDerWaalsContact O-N 3.09Å; L494-Q497 PolarHBondContact O-N 3.24Å; Q497-Q499 VanDerWaalsContact C-N 3.28Å; Q497-Q499 PolarHBondContact O-N 3.34Å; Q497-S500 WeakPolarHBondContact CA-OG 3.14Å; Q497-S500 PolarHBondContact O-N 3.47Å; Q497-S500 PolarHBondContact O-OG 3.02Å; Q497-A501 PolarHBondContact O-N 3.41Å
498D49.6Very low45.5Very low104 Ų10498.4 Ų98.456%0.55653%0.526SS*.Hα-helixtrans-58.5-39.1174.8-72.8-27.2000112.1L494 T502L494-D498 PolarHBondContact O-N 3.06Å; D498-T502 WeakPolarHBondContact O-CB 3.37Å; D498-T502 WeakPolarHBondContact O-CG2 3.31Å; D498-T502 PolarHBondContact O-N 2.85Å; D498-T502 PolarHBondContact O-OG1 2.82Å
499Q46.8Very low45.3Very low130 Ų130100.7 Ų100.761%0.60754%0.542SS*.Hα-helixtrans-69.6-37.9176.7-77.8179.4-14.700112.9R495 Q496 Q497 T502 T503R495-Q499 WeakPolarHBondContact O-CB 3.48Å; R495-Q499 VanDerWaalsContact O-CG 3.29Å; R495-Q499 WeakPolarHBondContact O-CG 3.43Å; R495-Q499 PolarHBondContact O-N 2.84Å; Q496-Q499 PolarHBondContact O-N 2.93Å; Q497-Q499 VanDerWaalsContact C-N 3.28Å; Q497-Q499 PolarHBondContact O-N 3.34Å; Q499-T502 WeakPolarHBondContact CA-OG1 3.32Å; Q499-T502 PolarHBondContact O-OG1 3.47Å; Q499-T503 WeakPolarHBondContact O-CB 3.4Å; Q499-T503 PolarHBondContact O-N 3.44Å; Q499-T503 VanDerWaalsContact O-N 3.14Å; Q499-T503 PolarHBondContact O-OG1 3.45Å
500S44.1Very low44.8Very low66 Ų66101.8 Ų101.846%0.46255%0.549SS..Hα-helixtrans-65-46.3171.440.90000112.1Q496 Q497 T502 T503 E504Q496-S500 PolarHBondContact O-N 2.99Å; Q496-S500 PolarHBondContact O-OG 3.2Å; Q496-S500 VanDerWaalsContact O-OG 3.09Å; Q497-S500 WeakPolarHBondContact CA-OG 3.14Å; Q497-S500 PolarHBondContact O-N 3.47Å; Q497-S500 PolarHBondContact O-OG 3.02Å; S500-T502 PolarHBondContact O-N 3.45Å; S500-T503 PolarHBondContact O-N 2.93Å; S500-T503 VanDerWaalsContact O-N 3.12Å; S500-E504 PolarHBondContact O-N 2.94Å
501A48.1Very low44.1Very low46 Ų46106.9 Ų106.938%0.3856%0.561SS.*Hα-helixtrans-62.2-43.7-179.300000112.4Q497 T503 E504 I505Q497-A501 PolarHBondContact O-N 3.41Å; A501-T503 VanDerWaalsContact C-N 3.29Å; A501-T503 PolarHBondContact O-N 3.31Å; A501-E504 PolarHBondContact O-N 3.32Å; A501-I505 WeakPolarHBondContact O-CG1 3.36Å; A501-I505 PolarHBondContact O-N 3.41Å
502T48Very low43.3Very low89 Ų89111.5 Ų111.555%0.54658%0.581SS.*Hα-helixtrans-66.8-28.9175.646.20000113D498 Q499 S500 A506D498-T502 WeakPolarHBondContact O-CB 3.37Å; D498-T502 WeakPolarHBondContact O-CG2 3.31Å; D498-T502 PolarHBondContact O-N 2.85Å; D498-T502 PolarHBondContact O-OG1 2.82Å; Q499-T502 WeakPolarHBondContact CA-OG1 3.32Å; Q499-T502 PolarHBondContact O-OG1 3.47Å; S500-T502 PolarHBondContact O-N 3.45Å; T502-A506 WeakPolarHBondContact O-CB 3.29Å; T502-A506 PolarHBondContact O-N 3.41Å; T502-A506 VanDerWaalsContact O-N 3.15Å
503T44Very low42.8Very low64 Ų64117.1 Ų117.139%0.39360%0.602SS.*Hα-helixtrans-76.4-27.9175.8-55.20000112.8Q499 S500 A501 R507Q499-T503 WeakPolarHBondContact O-CB 3.4Å; Q499-T503 PolarHBondContact O-N 3.44Å; Q499-T503 VanDerWaalsContact O-N 3.14Å; Q499-T503 PolarHBondContact O-OG1 3.45Å; S500-T503 PolarHBondContact O-N 2.93Å; S500-T503 VanDerWaalsContact O-N 3.12Å; A501-T503 VanDerWaalsContact C-N 3.29Å; A501-T503 PolarHBondContact O-N 3.31Å; T503-R507 WeakPolarHBondContact O-CG 3.19Å
504E42.3Very low41.9Very low145 Ų145116.8 Ų116.868%0.67861%0.612SS**Hα-helixtrans-75.6-42.4171.5-70.1-169139.300112.1S500 A501 A506 R507 S508S500-E504 PolarHBondContact O-N 2.94Å; A501-E504 PolarHBondContact O-N 3.32Å; E504-A506 VanDerWaalsContact C-N 3.26Å; E504-A506 PolarHBondContact O-N 3.4Å; E504-R507 WeakPolarHBondContact O-CA 3.3Å; E504-R507 PolarHBondContact O-N 3.12Å; E504-S508 PolarHBondContact O-N 3.27Å; E504-S508 VanDerWaalsContact O-N 3.07Å
505I42.7Very low41.1Very low114 Ų114117.4 Ų117.459%0.58563%0.625SS**Hα-helixtrans-61.3-35.7176-66165.1000111.2A501 R507 S508 S509A501-I505 WeakPolarHBondContact O-CG1 3.36Å; A501-I505 PolarHBondContact O-N 3.41Å; I505-R507 PolarHBondContact O-N 3.17Å; I505-S508 PolarHBondContact O-OG 2.89Å; I505-S509 PolarHBondContact O-OG 2.98Å
506A38.1Very low40.7Very low66 Ų66121 Ų12155%0.54564%0.638SS.*Hα-helixtrans-73.6-6.2173.600000114.7T502 E504T502-A506 WeakPolarHBondContact O-CB 3.29Å; T502-A506 PolarHBondContact O-N 3.41Å; T502-A506 VanDerWaalsContact O-N 3.15Å; E504-A506 VanDerWaalsContact C-N 3.26Å; E504-A506 PolarHBondContact O-N 3.4Å
507R37.6Very low40Very low180 Ų180119.3 Ų119.368%0.67964%0.64SS**Hα-helixtrans-112.1-13.6179.1-77.9179.5170143.70.5114.2T503 E504 I505T503-R507 WeakPolarHBondContact O-CG 3.19Å; E504-R507 WeakPolarHBondContact O-CA 3.3Å; E504-R507 PolarHBondContact O-N 3.12Å; I505-R507 PolarHBondContact O-N 3.17Å
508S39.6Very low39.1Very low92 Ų92119.9 Ų119.964%0.64365%0.646SS**Hα-helixtrans-84.9-18.1170.257.20000113.2E504 I505E504-S508 PolarHBondContact O-N 3.27Å; E504-S508 VanDerWaalsContact O-N 3.07Å; I505-S508 PolarHBondContact O-OG 2.89Å
509S37.2Very low38.4Very low94 Ų94122.5 Ų122.566%0.65766%0.656SS**SBendtrans-95.218.8-174600000115.3I505I505-S509 PolarHBondContact O-OG 2.98Å
510S35.4Very low37.9Very low93 Ų93120.7 Ų120.765%0.6566%0.657SS**SBendtrans-13332.1-17860.30000113.5
511R32.7Very low37.4Very low212 Ų212124 Ų12480%0.868%0.675SS**  trans-126.6161.7167.4-66.6-179.9179.8165.40.5108.5
512D32.3Very low36.6Very low152 Ų152127.2 Ų127.281%0.81369%0.693SS**  trans6787-177.5-51.3-25.7000115.8
513F32.7Very low36.2Very low209 Ų209128.3 Ų128.392%0.91770%0.702SS**  -162.1144.4113.3-122.2-93.2000111
514S30.7Very low35.6Very low103 Ų103130.5 Ų130.572%0.7272%0.718SS**  trans-135.9160.9-170.4-72.50000112.7
515S34.7Very low35.2Very low113 Ų113129.6 Ų129.679%0.7972%0.723SS**  trans70.8151.7-177.183.30000114.1
516R33.1Very low34.9Very low232 Ų232129 Ų12988%0.87573%0.729SS**  cis-165.8154.28.4-131.8167.2169.7-164-3.1106.8
517S36.2Very low34.7Very low85 Ų85130.3 Ų130.359%0.59473%0.734SS**  cis-175.5172.4-19.452.40000109.5
518N36.3Very low34.5Very low128 Ų128128.9 Ų128.968%0.68474%0.74SS**  trans69.8150.3166.6-62.735000116.6
519E35.1Very low34.1Very low160 Ų160129 Ų12975%0.74874%0.741SS**  cis-152.4138.5-10.8-120.5165.113500113.7
520S35.8Very low33.6Very low92 Ų92132.5 Ų132.564%0.64375%0.749SS**  trans27.8113.7145.859.40000124.8
521T34.2Very low33.5Very low135 Ų135133.3 Ų133.383%0.82875%0.75SS**  84.2135.4122.1-40.40000122.9
522C29.9Very low33.3Very low113 Ų113130.2 Ų130.276%0.76475%0.749SS**  trans-48.7176.1170.7-54.20000116.7
523P39.6Very low33.4Very low113 Ų113131.1 Ų131.173%0.73475%0.753SS**  cis-154.518026.246.2-24.5000121.5
524C32.5Very low33.2Very low109 Ų109131.6 Ų131.674%0.73675%0.748SS**  trans69.4120.9141.2-78.50000125.4
525T33.7Very low33.5Very low126 Ų126133.4 Ų133.477%0.77375%0.75SS**  82.7137.7127.253.90000125.3
526S36.1Very low33.3Very low102 Ų102137.9 Ų137.971%0.71375%0.749SS**  trans93.3103.1136.965.50000123.5
527S32.8Very low33.4Very low93 Ų93134.2 Ų134.265%0.6575%0.753SS**  72.6144.7122.8690000123.4
528N35.3Very low33.2Very low150 Ų150134.5 Ų134.580%0.80275%0.751SS**  trans71.5155.9158.4-55.5-21.8000118.1
529S29.5Very low32.9Very low95 Ų95136 Ų13666%0.66476%0.758SS**  cis-170.1147.2-35.158.50000111.1
530M28.1Very low32.9Very low167 Ų167134 Ų13482%0.82376%0.758SS**  trans69155.5158.4-65.2-169.275.100121.5
531T33.2Very low32.6Very low110 Ų110135.3 Ų135.368%0.67576%0.763SS**  trans70.1106.9152.835.20000121.9
532N28.6Very low32.4Very low147 Ų147135.5 Ų135.579%0.78676%0.758SS**  30.9125.7125.7-77.2-51.1000120
533I34.1Very low32.3Very low172 Ų172135 Ų13588%0.88276%0.756SS**  -147151.8126.3-104.6149.1000109
534R28.9Very low31.9Very low218 Ų218139.5 Ų139.582%0.82376%0.76SS**  trans-96.5144177.3-63.8175.2171.9110.2-5.4109.7
535D35.1Very low31.8Very low142 Ų142137.9 Ų137.976%0.75976%0.762SS**  178.1162119.8-93.4-22.5000109.7
536R31.5Very low31.7Very low207 Ų207138 Ų13878%0.78176%0.763SS**  cis155.889-21.1-179.5-179.5-167.1-171.24.7105.6
537V34.7Very low31.8Very low155 Ų155138.2 Ų138.294%0.93976%0.762SS**  trans-126.9144.9165-176.70000107.5
538T32.9Very low31.6Very low91 Ų91143.3 Ų143.356%0.55877%0.772SS**  trans-139.8117.7-136.3-56.20000113.6
539L30.5Very low31.4Very low159 Ų159141.8 Ų141.883%0.83277%0.774SS**  trans62.8170156.2-66174.6000118.4
540P33.1Very low31.4Very low117 Ų117146 Ų14676%0.7678%0.783SS**  cis-120.6160.3-13.616.46.5000114.5
541V30Very low31.8Very low121 Ų121143.5 Ų143.573%0.73378%0.779SS**  trans-81.1150.8158.6171.50000108.9
542N30.3Very low31.7Very low138 Ų138148.9 Ų148.974%0.73879%0.787SS**  trans-145.4127.7150.2-133.3-7.2000111.6Y544N542-Y544 VanDerWaalsContact OD1-CE2 3.27Å; N542-Y544 WeakPolarHBondContact OD1-CE2 3.25Å
543S28.9Very low31.6Very low102 Ų102147.9 Ų147.971%0.71379%0.786SS**  trans-139.3120.1179.5-67.50000108.4
544Y30.9Very low31.5Very low208 Ų208146 Ų14682%0.81678%0.782SS**  trans-135.8130.2173.3-82.3-79000111.2N542N542-Y544 VanDerWaalsContact OD1-CE2 3.27Å; N542-Y544 WeakPolarHBondContact OD1-CE2 3.25Å
545G30.2Very low31.4Very low75 Ų75141.5 Ų141.577%0.77378%0.779SS**  trans-156.3113.6167.800000108.7
546T31.6Very low31.2Very low130 Ų130138.9 Ų138.980%0.79878%0.777SS**  trans-144.2155.5177.1330000110.3
547P37Very low31.1Very low106 Ų106136.7 Ų136.769%0.68878%0.776SS**  trans-127.2-168.1-153.626.9-2.4000114.3
548F28.9Very low30.9Very low199 Ų199135.5 Ų135.587%0.87376%0.76SS**  trans72.3117.6166-83-87.8000119.6
549S31.4Very low30.8Very low119 Ų119139.6 Ų139.683%0.83277%0.77SS**  -166134125.440.60000112.4
550Q29.7Very low30.9Very low184 Ų184136.7 Ų136.786%0.8676%0.763SS**  trans-85.4171.2150.8-78.1-173.3-3.100107.8
551P35.9Very low30.8Very low114 Ų114137.1 Ų137.174%0.7476%0.764SS**  cis-127.2-144.718.935.9-11000110.9
552R31Very low30.8Very low222 Ų222137.5 Ų137.584%0.83877%0.769SS**  cis-163.8150.425.1-153.3176.1-163.5164.23111.4
553V26.1Very low30.9Very low126 Ų126140.3 Ų140.376%0.76478%0.777SS**  trans-82140.6168175.80000109.6T555V553-T555 HydrophobicContact CG1-CG2 4.23Å
554V32.2Very low30.8Very low132 Ų132143.7 Ų143.780%0.878%0.782SS**  trans-137.8135162.8-179.50000108.2
555T26.7Very low30.8Very low124 Ų124143.8 Ų143.876%0.76179%0.787SS**  trans-127.4131.5179.346.70000110.9V553V553-T555 HydrophobicContact CG1-CG2 4.23Å
556A32.5Very low30.9Very low87 Ų87147 Ų14772%0.71979%0.787SS**  trans-150.8136.715500000105.1
557E28.8Very low30.8Very low162 Ų162144 Ų14476%0.75778%0.781SS**  62.5133.553.7-62.4-16089.300111.7
558Q31Very low30.5Very low130 Ų130145.8 Ų145.861%0.60779%0.79SS**  cis-164.8163.120.9-135.8165.84200111.9
559F29.9Very low30.6Very low176 Ų176144.1 Ų144.177%0.77279%0.785SS**  trans62.8151.6162.5-69.1-67000118.8
560S32.4Very low30.6Very low98 Ų98146.8 Ų146.869%0.68578%0.782SS**  cis-143.7147.68.1-48.20000114.1
561T32Very low30.8Very low126 Ų126144 Ų14477%0.77378%0.78SS**  trans34.9128.1141.957.70000123.3
562P29.2Very low30.4Very low129 Ų129143.4 Ų143.484%0.83878%0.779SS**  trans-92.3170.7163.938.9-34.6000113.7
563Q32.6Very low30.4Very low197 Ų197142.7 Ų142.792%0.92178%0.782SS**  trans-133.2136.8164.2-109.4-176.2-16.500111.1
564E26.3Very low30.6Very low174 Ų174141.4 Ų141.481%0.81378%0.778SS**  trans-85.4154.4173.4-58.4174110.900111.1
565F31.9Very low30.7Very low209 Ų209146.4 Ų146.492%0.91778%0.784SS**  trans-147.5151.4149.8-124.8-84.9000112
566N31.6Very low30.9Very low144 Ų144145.1 Ų145.177%0.7778%0.781SS**  trans-94.7137.7-157.1-79.6-66.5000116.2
567G29Very low30.8Very low66 Ų66146.9 Ų146.968%0.6879%0.785SS**  65.9118.8117.500000122.1
568T31.8Very low31Very low143 Ų143145 Ų14588%0.87779%0.789SS**  trans-177.4100138.616.30000108.5
569Q30.6Very low31.1Very low164 Ų164146.8 Ų146.877%0.76680%0.801SS**  69.997.585.1-76.7-152.1-11.300117.5
570F31.5Very low31.1Very low176 Ų176141.4 Ų141.477%0.77280%0.796SS**  trans64.9165.5138.1-66.1-62.5000120.3
571P34.7Very low31.2Very low126 Ų126148.7 Ų148.782%0.81881%0.808SS**  cis-118.2164.80.740.3-28000116.2
572S27.9Very low31Very low101 Ų101146.3 Ų146.371%0.70681%0.809SS**  trans-79.4150.317652.80000114
573K30.6Very low31.4Very low207 Ų207148.2 Ų148.290%0.981%0.81SS**  trans-112.1106158.7-82.2-174174.6178.70111
574S30.3Very low31.2Very low99 Ų99146.4 Ų146.469%0.69280%0.801SS**  trans-87.5142.5167.3460000110.6
575Y33.2Very low31.4Very low236 Ų236148.1 Ų148.193%0.92580%0.802SS**  trans-110.6114.2164.7-106.6-89.2000108.8
576S31Very low31.5Very low98 Ų98144.8 Ų144.869%0.68580%0.798SS**  trans-95.1151.3176.5-62.70000111.1
577P30.7Very low31.5Very low123 Ų123143.4 Ų143.480%0.79980%0.795SS**  trans-73.5130.9173.430.4-33.6000111
578S33.9Very low31.7Very low122 Ų122145.8 Ų145.885%0.85380%0.801SS**  trans-91.7108.2178.755.90000111.8
579I32.5Very low31.9Very low169 Ų169143.6 Ų143.687%0.86780%0.798SS**  trans-85.9140.2171.6-68.7171.9000110.3
580G30Very low32Very low63 Ų63141.8 Ų141.865%0.64980%0.798SS**  trans107.8124142.800000118.1
581R33.7Very low32.2Very low251 Ų251140.9 Ų140.995%0.94780%0.8SS**  -164.1112.6126.6-102.5168.6-157.1-135.23.2108.8
582G28.5Very low32.1Very low76 Ų76139.1 Ų139.178%0.78480%0.796SS**  trans-90.2156.9165.200000110.5
583I36.6Very low32.3Very low169 Ų169140.4 Ų140.487%0.86780%0.804SS**  trans-131.9138.3171.4-60.9-179.1000107.4
584H28.3Very low32.6Very low158 Ų158135.4 Ų135.473%0.73180%0.795SS**  trans-114.2178.8-175.4-104.1-109.9000111.3
585Y31.5Very low32.7Very low211 Ų211136.8 Ų136.883%0.82780%0.8SS**  trans77.1152.5174-45.7-73.9000113.9
586V33.7Very low33.1Very low139 Ų139130.8 Ų130.884%0.84279%0.79SS**  cis-126.2172.218.4179.90000112
587T31.6Very low33.4Very low115 Ų115135.3 Ų135.371%0.70680%0.8SS**  trans-104.4-178-166.1540000115.8
588S33.4Very low33.5Very low115 Ų115134.3 Ų134.380%0.80480%0.796SS**  trans93.7142.2160-49.10000116.4
589A35.6Very low33.6Very low98 Ų98135.3 Ų135.381%0.8180%0.796SS**  cis-145.2162.35.200000115.7
590T31.8Very low33.7Very low126 Ų126134.1 Ų134.177%0.77379%0.792SS**  trans-50.9147.8-176.7-34.70000120.4
591L36.2Very low33.9Very low156 Ų156139 Ų13982%0.81780%0.802SS**  159.9108126.7-83.7158.3000109.8
592A32.7Very low33.9Very low89 Ų89132.4 Ų132.474%0.73679%0.792SS**  63.312789.400000113.8
593C31.4Very low34Very low129 Ų129135.6 Ų135.687%0.87280%0.796SS**  cis-156-172.62-140.60000108.2
594S37.6Very low33.9Very low101 Ų101132 Ų13271%0.70679%0.786SS**  cis-155.6-171.75.7580000111.3
595T33.6Very low34Very low129 Ų129131.9 Ų131.979%0.79179%0.791SS**  trans-146.8-170.5173.463.30000108.3
596P40.8Very low34.1Very low110 Ų110129.5 Ų129.571%0.71479%0.791SS**  cis-132.3178.8-11.742.5-27000114.4
597E37.1Very low34.1Very low193 Ų193127.9 Ų127.990%0.90279%0.786SS**  -167.1173.1116.8-112.7-171.8166.600111.8
598S33.2Very low34.2Very low102 Ų102134.2 Ų134.271%0.71380%0.797SS**  trans-140.2140.7-157.765.10000115.6
599V36.1Very low34Very low143 Ų143132.1 Ų132.187%0.86779%0.793SS**  trans-135.6130.6160.1-178.40000108.9
600N33.3Very low34Very low144 Ų144136.6 Ų136.677%0.7780%0.795SS**  trans-98.3142.5177.9-67.1-81000110.9
601L35.1Very low34.4Very low165 Ų165137.3 Ų137.386%0.86480%0.798SS**  trans-155.9155.5151.4-97.6136.1000109.3
602P33.1Very low34.1Very low113 Ų113136.4 Ų136.473%0.73479%0.788SS**  trans-92.2168.9-152.835.8-37.5000115.8
603T31Very low34.1Very low142 Ų142138 Ų13887%0.87179%0.793SS**  trans-62.6140.917642.50000113.8
604S34.2Very low34.2Very low93 Ų93140.6 Ų140.665%0.6580%0.795SS**  trans-139.2141.5161.165.80000110.9I606S604-I606 PolarHBondContact O-N 2.76Å
605N31.6Very low33.9Very low157 Ų157144 Ų14484%0.8479%0.792SS**  trans-86.785.3-167.2-71.8-71.6000112.9S607N605-S607 VanDerWaalsContact C-N 3.31Å; N605-S607 PolarHBondContact O-N 2.84Å; N605-S607 VanDerWaalsContact O-N 3.11Å
606I33.8Very low33.8Very low161 Ų161143.2 Ų143.283%0.82679%0.792SS**THydrogen-bonded Turntrans-86.667.7175-49.4-178.1000110.8S604S604-I606 PolarHBondContact O-N 2.76Å
607S33.7Very low33.7Very low105 Ų105147.2 Ų147.273%0.73480%0.801SS**THydrogen-bonded Turntrans-16122.3175.549.80000116N605N605-S607 VanDerWaalsContact C-N 3.31Å; N605-S607 PolarHBondContact O-N 2.84Å; N605-S607 VanDerWaalsContact O-N 3.11Å
608R31.8Very low33.5Very low248 Ų248145.5 Ų145.594%0.93679%0.793SS**  trans-143.193.9169.6-77.5-178.2179.1155.51.6111.6
609G30.9Very low33.5Very low71 Ų71146.1 Ų146.173%0.73280%0.796SS**  trans-153.7-30.8-179.700000117.4V611G609-V611 PolarHBondContact O-N 3.02Å
610F35.3Very low33.2Very low191 Ų191149.8 Ų149.884%0.83880%0.795SS**THydrogen-bonded Turntrans-95.618-160.9-136.7-99.4000117
611V39.4Very low33.2Very low141 Ų141150.7 Ų150.786%0.85579%0.794SS**THydrogen-bonded Turntrans-123.9-5.1-174.7-172.30000113.6G609G609-V611 PolarHBondContact O-N 3.02Å
612K31.1Very low32.9Very low138 Ų138152 Ų15260%0.680%0.795SS**  trans-95.26.8-175.9-76.9-162.2167.6-168.50116.4M614 V822K612-M614 PolarHBondContact O-N 3.02Å; K612-V822 HydrophobicContact CD-CB 4.42Å; K612-V822 HydrophobicContact CD-CG1 4.38Å; K612-V822 WeakPolarHBondContact CE-O 3.11Å; K612-V822 WeakPolarHBondContact CE-OXT 3.19Å; K612-V822 HydrophobicContact CG-CG1 4.08Å; K612-V822 VanDerWaalsContact NZ-C 3.32Å; K612-V822 PolarHBondContact NZ-O 3.45Å
613S32Very low32.8Very low121 Ų121152.2 Ų152.285%0.84679%0.794SS**THydrogen-bonded Turntrans-96.322.5-168.9-160.20000116.7
614M33.7Very low32.8Very low184 Ų184150.4 Ų150.491%0.90679%0.785SS**THydrogen-bonded Turntrans-132.830.4174.5-80.9-161.4-7800114.1K612K612-M614 PolarHBondContact O-N 3.02Å
615R30.5Very low32.6Very low173 Ų173154.9 Ų154.965%0.65380%0.795SS**SBendtrans-144.373.8169.2-82.3-171171.1174.7-1.9111.6V822R615-V822 HydrophobicContact CB-CG2 4.3Å
616S33.1Very low32.7Very low112 Ų112154.8 Ų154.878%0.78379%0.79SS**  trans-165.671.7169-1800000112.7
617E37.3Very low32.6Very low195 Ų195153 Ų15391%0.91179%0.786SS**  trans-16285158-115167.2-15700107.2
618Q34.3Very low32.5Very low157 Ų157158.6 Ų158.673%0.73479%0.792SS**  73.476.963.7-166.374.4-11.200112.5
619C32.1Very low32.4Very low114 Ų114152.7 Ų152.777%0.7779%0.789SS**  trans-145.399156.1-1510000109.5
620R28.9Very low32.5Very low221 Ų221160.7 Ų160.783%0.83480%0.797SS**  trans-75.4129.1171.8-69.2-175.9-177.6177.8-0.3108.7
621H33.9Very low32.3Very low162 Ų162157.5 Ų157.575%0.7580%0.798SS**  trans-141.4106.4160.8-97.3-84.3000109
622E28.8Very low32.1Very low193 Ų193157.1 Ų157.190%0.90280%0.798SS**  trans-75.4120.4163.7-65.7166.5120.700107.9
623V32.4Very low32.1Very low117 Ų117154 Ų15471%0.70980%0.804SS**  trans-141.5136169.4-1760000107.9
624P30.5Very low32.2Very low104 Ų104157.6 Ų157.668%0.67581%0.81SS**  trans-78.9176.1-164.7-16.232.7000115.4H626P624-H626 PolarHBondContact O-N 3.39Å
625H29Very low32Very low188 Ų188158 Ų15887%0.8781%0.81SS**  trans-55.3104.5166.9-74.4-102.4000112.4
626H34.3Very low32.2Very low155 Ų155157 Ų15772%0.71882%0.823SS**  trans-125.7117.5158.8-81.6-87.6000108.3P624P624-H626 PolarHBondContact O-N 3.39Å
627V32.6Very low32.2Very low123 Ų123157 Ų15775%0.74581%0.814SS**  73.112374.9172.30000111.2S629V627-S629 PolarHBondContact O-N 3.01Å
628Y30.9Very low32Very low222 Ų222153.5 Ų153.587%0.87180%0.798SS**  trans-60.3130.3179.7-82.9-103.5000112R630Y628-R630 PolarHBondContact O-N 3.3Å
629S30.8Very low31.8Very low125 Ų125154 Ų15487%0.87479%0.793SS**  trans-68.4111.2165.1-57.10000110.5V627V627-S629 PolarHBondContact O-N 3.01Å
630R32.7Very low31.9Very low238 Ų238155.7 Ų155.790%0.89879%0.789SS**PPolyproline II helixtrans-92.4136.2157.7-78.6-173.7173.7-174.8-1.8109Y628Y628-R630 PolarHBondContact O-N 3.3Å
631C31.4Very low32Very low125 Ų125152.4 Ų152.485%0.84579%0.788SS**PPolyproline II helixtrans-74.3149160.8-66.30000109.9
632P33.1Very low32Very low133 Ų133152.4 Ų152.486%0.86479%0.792SS**PPolyproline II helixtrans-92.5157.4-173.136.6-35.9000113.4
633G32.5Very low32.6Very low71 Ų71148.3 Ų148.373%0.73278%0.782SS**  trans167.8117.5166.900000114.9
634M33.8Very low32.9Very low198 Ų198152.2 Ų152.298%0.97579%0.792SS**  trans77.2127.9168.5-53.3-173.672.100118.7
635Q29.9Very low33.1Very low191 Ų191154.5 Ų154.589%0.89380%0.799SS**  trans-117.7152.3177.2-54.9158.1-92.700109.8
636V34.6Very low33.4Very low154 Ų154154.2 Ų154.293%0.93380%0.798SS**  trans-153.6153.8138.8-175.90000108.4
637D31.8Very low33.6Very low110 Ų110152.9 Ų152.959%0.58880%0.801SS**  trans-109-167.9-177.9-155.623.6000109.6R639D637-R639 IonicContact OD2-NE 3.72Å; D637-R639 IonicContact OD2-NH2 2.85Å
638Q35Very low33.8Very low123 Ų123150.6 Ų150.658%0.57580%0.795SS**  cis-156.9102.713.8-171.4159.6119.600115.1
639R28.3Very low34.1Very low166 Ų166146.6 Ų146.663%0.62679%0.788SS**  trans63.1169.1146-55.3168.5-150.416310.4121D637D637-R639 IonicContact OD2-NE 3.72Å; D637-R639 IonicContact OD2-NH2 2.85Å
640H34.1Very low34.4Very low150 Ų150148.3 Ų148.369%0.69478%0.782SS**  trans73.6145.6162.7-51.7-70.4000118
641L32.3Very low34.5Very low153 Ų153144.3 Ų144.380%0.80178%0.777SS**  cis-154.6-171.2-17.5-115.6168.8000110.4
642L34.1Very low34.9Very low162 Ų162143.6 Ų143.685%0.84877%0.774SS**  trans-96.6171.8-163.3-80.2170.5000116.4
643P41.5Very low35.4Very low106 Ų106142.5 Ų142.569%0.68877%0.767SS**  trans-114.1-172.5-152.744.8-38.4000116.5
644H37Very low35.7Very low199 Ų199148.1 Ų148.192%0.92177%0.774SS**  trans-143.4-180167.3-109.9-95.6000113.8
645N34.9Very low35.9Very low153 Ų153144.1 Ų144.182%0.81877%0.766SS**  trans-122.7-172.1-154.6-111.7-7.5000115.4
646E36.8Very low36Very low181 Ų181141.6 Ų141.685%0.84676%0.758SS**  trans97.1149.7159.7-61.5-165.9110.700119.9
647V37Very low36.2Very low128 Ų128142.1 Ų142.178%0.77675%0.75SS**  cis-170.5164.4-35.9115.60000111.4
648A37.6Very low36.4Very low75 Ų75140.8 Ų140.862%0.6275%0.749SS**  trans71.1158.3161.700000120.7
649N35.9Very low36.5Very low137 Ų137142.9 Ų142.973%0.73376%0.763SS**  cis-166.9177.8-24.9-100.4-21.2000112.5
650H37.2Very low37.1Very low162 Ų162140.3 Ų140.375%0.7577%0.768SS**  trans84.2123.3168.9-52.4-81.8000116.9
651L36.5Very low37.7Very low153 Ų153139 Ų13980%0.80177%0.773SS**  cis89.2136.143.4-70.7167.1000112.6
652S38.3Very low38.2Very low110 Ų110137.2 Ų137.277%0.76977%0.771SS**  cis-147.3173.217.8-60.90000113.5
653P45.2Very low38.6Very low111 Ų111137.6 Ų137.672%0.72177%0.773SS**  trans-126-148.3-16744.7-29.7000115.5
654Q38.5Very low39.1Very low188 Ų188137.8 Ų137.888%0.87977%0.774SS**  trans101.6147.7173.6-57.6-178.523.800115.1
655S36.8Very low39.6Very low115 Ų115134.5 Ų134.580%0.80477%0.77SS**  cis-118-122.618.564.60000117
656L32.8Very low39.7Very low138 Ų138135.9 Ų135.972%0.72377%0.771SS**  trans-163.2-177.8-148.3-135.4127.3000115.3
657H39.1Very low39.7Very low164 Ų164132.8 Ų132.876%0.75977%0.77SS**  trans83.9152.3165.1-64.9-74.8000120.5
658S35.4Very low39.7Very low83 Ų83132.1 Ų132.158%0.5877%0.771SS**  -177.2145.4-52.346.70000113.4
659L37.5Very low39.5Very low166 Ų166137 Ų13787%0.86978%0.781SS**  trans75.6135156.8-64.4161.5000122.6
660P40.7Very low39.5Very low113 Ų113136 Ų13673%0.73478%0.78SS**  trans-113.5-170.8161.442.6-32.7000112.4
661P47.6Very low39.3Very low121 Ų121134.3 Ų134.379%0.78678%0.776SS**  cis-116-105.60.727.7-2000114
662P41.5Very low39.4Very low117 Ų117133.9 Ų133.976%0.7677%0.773SS**  cis-120.2-133.14.343.9-25.9000114.9
663L42Very low39.2Very low170 Ų170132.4 Ų132.489%0.8976%0.763SS**  trans-142168.5-175.8-85.9174.5000113.7
664P51.8Low38.8Very low109 Ų109135.9 Ų135.971%0.70877%0.769SS**  trans-113.2177.5-160.743.4-37.3000117.8
665P48.1Very low38.7Very low130 Ų130131.3 Ų131.384%0.84476%0.764SS**  trans-107.2-168174.740.6-33.2000116.1
666H37.6Very low38.8Very low183 Ų183136.8 Ų136.885%0.84777%0.767SS**  trans-117.8171-151.9-105.7-111000117.9
667S36.3Very low39.4Very low116 Ų116136.2 Ų136.281%0.81177%0.771SS**  trans80.2159.5153.983.20000118.6
668S36.5Very low39.2Very low114 Ų114137.3 Ų137.380%0.79777%0.774SS**  cis-148.1-171.2868.90000114.3
669Q34.7Very low39.2Very low178 Ų178143.4 Ų143.483%0.83278%0.784SS**  trans-79.1178.5-171.8-51.4161.3-9.500113.1
670T35.6Very low39.4Very low116 Ų116141.3 Ų141.371%0.71278%0.781SS**  cis-150.6-160.822.356.30000109
671N34Very low39.6Very low126 Ų126140.2 Ų140.267%0.67477%0.774SS**  cis-165.8179.6-5.5-138.7-28.1000112.2
672I37.1Very low39.1Very low144 Ų144142.1 Ų142.174%0.73878%0.776SS**  trans55142.1143.8-73.7161.8000121.3
673S33.7Very low39.1Very low78 Ų78142.7 Ų142.755%0.54578%0.777SS.*  cis-172.6170.1-24.666.20000112.4
674H37.3Very low39.1Very low184 Ų184139.8 Ų139.885%0.85277%0.768SS**  trans64.6154.1166-55-56.9000119.1
675A37.9Very low39Very low93 Ų93140.8 Ų140.877%0.76978%0.775SS**  cis-143.4175.22.400000113.1
676R37.7Very low38.6Very low230 Ų230144 Ų14487%0.86878%0.778SS**  trans-135.9160.6166.1-70.6-168.2-172.4-170.35.1110.5
677P44.6Very low38.6Very low126 Ų126138.7 Ų138.782%0.81877%0.773SS**  -140.6-167.712332.2-15.3000112.3
678F36.3Very low38.7Very low187 Ų187141.3 Ų141.382%0.8278%0.776SS**  -170.2153.4-68.1-134.2-87.8000107.3
679W35.1Very low38.6Very low211 Ų211140.7 Ų140.780%0.79977%0.772SS**  trans-49.8161.3-178-70.176.5000117.6
680P40.9Very low38.7Very low122 Ų122141.2 Ų141.279%0.79277%0.772SS**  -146.1169.488.639.3-22.7000117.1
681P46.3Very low38.8Very low90 Ų90140.4 Ų140.458%0.58477%0.771SS**  trans-113.8176.5174.439.8-30000115.2
682L35.4Very low39.1Very low161 Ų161140.6 Ų140.684%0.84378%0.776SS**  trans124.4157.5151.2-68.9159.5000118.8
683V41.8Very low39.8Very low129 Ų129138.6 Ų138.678%0.78277%0.773SS**  trans75.5124.1162.4-160.90000120.3
684P42.1Very low40Very low108 Ų108143.2 Ų143.270%0.70178%0.779SS**  trans-104.7152.7159.538.2-30.5000113.5
685P51.4Low40Very low130 Ų130142.9 Ų142.984%0.84478%0.776SS**  trans-96162.3176.636.4-34.1000114.9
686H37.9Very low40Very low197 Ų197145.2 Ų145.291%0.91277%0.774SS**  trans-107.5156-179.6-77.7-109.6000113.9
687G38Very low40.9Very low72 Ų72139.1 Ų139.174%0.74277%0.765SS**  trans97.6161.8152.100000118
688I38Very low40.8Very low171 Ų171139.3 Ų139.388%0.87776%0.764SS**  cis-156.5141-4-110.7161.2000111.9
689S35.6Very low41Very low102 Ų102136.7 Ų136.771%0.71376%0.758SS**  trans35.9132.9151.7-159.80000125.1
690K37.1Very low41.2Very low189 Ų189132.5 Ų132.582%0.82276%0.756SS**  -177.4110.6118-96165-175-179.20110.1
691S36.7Very low41.1Very low99 Ų99130.8 Ų130.869%0.69275%0.752SS**  66.2131.990.571.40000114.2
692V40.3Very low40.6Very low129 Ų129131.4 Ų131.478%0.78276%0.758SS**  cis-154162.745.7165.80000111.5
693P51Low40.7Very low103 Ų103130.7 Ų130.767%0.66975%0.751SS**  trans-128-135.2-159.146.4-30.5000117.1
694Y38.9Very low40.5Very low175 Ų175133.4 Ų133.469%0.68675%0.752SS**  trans82.9143.3-175.6-51.9-73.8000115.3
695F37.4Very low40.2Very low176 Ų176131.4 Ų131.477%0.77275%0.751SS**  cis-137165.6-5.6-71.9-71.8000108.5
696L37.8Very low39.4Very low142 Ų142132.6 Ų132.674%0.74375%0.751SS**  cis85.6146.619.5-57.6174.3000116.2
697P56.4Low39.3Very low103 Ų103129.5 Ų129.567%0.66975%0.746SS**  cis-148.9-150.3-30.640.8-18.6000115.5
698V42.5Very low39Very low130 Ų130132.8 Ų132.879%0.78875%0.751SS**  trans92.2124.6165.6-169.80000117.2
699D40.8Very low38.9Very low131 Ų131129.6 Ų129.670%0.70175%0.75SS**  cis-166-162.7-35.7-122.9-103000107.9
700T38.9Very low38.7Very low123 Ų123130 Ų13076%0.75575%0.753SS**  cis-158.4173.811.3-16.80000112.3
701A39Very low38.7Very low86 Ų86126.5 Ų126.571%0.71175%0.753SS**  trans10.3151.1147.800000123.5
702S36.6Very low38.4Very low103 Ų103128.4 Ų128.472%0.7276%0.755SS**  cis-179.2-173.9-9.8670000108.5
703Q37.3Very low38Very low147 Ų147130.9 Ų130.969%0.68776%0.763SS**  cis-167161.4-14.2-127.5166.6-3.700111.3
704F36.9Very low37.1Very low186 Ų186136.6 Ų136.682%0.81677%0.771SS**  trans50.7149.7159.8-62.9-63.8000122.7
705G35.5Very low36.6Very low65 Ų65135.8 Ų135.867%0.6778%0.778SS**  cis173140.4-12.300000117.1
706N34.5Very low36.3Very low156 Ų156133.5 Ų133.583%0.83478%0.778SS**  trans68.6154.2145.2-63.6-1.9000127.3
707T35.6Very low35.9Very low132 Ų132135.9 Ų135.981%0.8178%0.783SS**  trans96.289.8156.456.40000124.2
708T33Very low34.8Very low140 Ų140136.6 Ų136.686%0.85979%0.787SS**  23.5130.8123.8-5.10000124.2
709A36.1Very low34.5Very low104 Ų104135.6 Ų135.686%0.8678%0.783SS**  trans-165.4164.7130.800000110.9
710S31.5Very low33.9Very low110 Ų110140.4 Ų140.477%0.76979%0.793SS**  trans-142.7149.7-173.4178.80000113.9
711S36.8Very low33.6Very low116 Ų116144 Ų14481%0.81180%0.799SS**  trans-152.3154152.1600000111
712N30.6Very low33.3Very low139 Ų139144.9 Ų144.974%0.74380%0.8SS**  trans-109150.5-174.1-73-96.7000111.6
713L31.5Very low33.1Very low181 Ų181147.1 Ų147.195%0.94880%0.804SS**  trans-147.2158.5140.6-138.372.1000111.1
714R30.9Very low33.1Very low223 Ų223144.9 Ų144.984%0.84280%0.802SS**  trans-117.5177.8-168.5-82.5-174.8170.9-166.70.3112.6
715L28.9Very low33.1Very low158 Ų158144.5 Ų144.583%0.82780%0.802SS**  trans88.8137.9167.7-71.997.7000116.5
716V30.6Very low32.9Very low128 Ų128145 Ų14578%0.77681%0.807SS**  cis-156.2155.9-24.2106.10000108.9
717K29.6Very low32.8Very low193 Ų193144.5 Ų144.584%0.83981%0.81SS**  trans-108.5140.9171.9-89.2-174.4175179.10111.5
718P33.3Very low32.4Very low117 Ų117145.9 Ų145.976%0.7681%0.807SS**PPolyproline II helixtrans-75.4144157.432.6-32.2000110.5
719P36.9Very low32.5Very low110 Ų110145.9 Ų145.971%0.71481%0.807SS**PPolyproline II helixtrans-94.2154.8-17736.2-35000113.9F721P719-F721 HydrophobicContact CB-CD2 4.47Å
720Y28.2Very low32.2Very low231 Ų231147.6 Ų147.691%0.90680%0.801SS**PPolyproline II helixtrans-78.6147.1153.3-85.7-104.2000109.3
721F33.2Very low32.2Very low198 Ų198145.9 Ų145.987%0.86880%0.801SS**  trans-139.7150.4160.5-107.3-81.8000111.6P719P719-F721 HydrophobicContact CB-CD2 4.47Å
722S32.9Very low31.8Very low106 Ų106145.8 Ų145.874%0.74180%0.8SS**  trans-111.9155.8-176.4530000112.5
723N32Very low31.8Very low149 Ų149143.7 Ų143.780%0.79780%0.796SS**  trans-39.3150.6171.4-143.6-0.6000113.6
724P37.4Very low31.7Very low100 Ų100145.9 Ų145.965%0.64979%0.794SS**  -154.8174.380.243.6-25.2000118.6
725H37.2Very low31.5Very low179 Ų179144.4 Ų144.483%0.82979%0.794SS**  trans65.590.3154.4-68.3-62.9000121.6
726G30.8Very low31.5Very low75 Ų75144.7 Ų144.777%0.77379%0.794SS**  79.8126.4107.400000121.8
727V31.9Very low31.5Very low146 Ų146141.7 Ų141.789%0.88579%0.789SS**  trans-174.6152.3131.5142.50000108.5
728Q28.1Very low31.5Very low160 Ų160137.9 Ų137.975%0.74879%0.787SS**  trans-79.1146.1175.3-77.9170.5-107.700112.5D730Q728-D730 PolarHBondContact NE2-OD2 3.37Å
729V34.5Very low31.6Very low141 Ų141137.5 Ų137.586%0.85578%0.784SS**  trans-133.6117.6147.6-178.80000107.1
730D29.1Very low31.4Very low140 Ų140143.1 Ų143.175%0.74979%0.791SS**  trans-79.8142.9169.5-88.1-68.2000109.9Q728Q728-D730 PolarHBondContact NE2-OD2 3.37Å
731G32.7Very low31.6Very low74 Ų74137.7 Ų137.776%0.76378%0.783SS**  trans-165.156.6-169.600000112.5
732S27.3Very low31.7Very low114 Ų114134.4 Ų134.480%0.79777%0.774SS**  trans-68.7132.1174.148.30000111.4
733S30.2Very low31.8Very low94 Ų94136.2 Ų136.266%0.65777%0.771SS**  164.9163120.453.20000114.7
734Y30.7Very low32Very low228 Ų228136.2 Ų136.289%0.89477%0.766SS**  trans75.2147.1165.6-59.9-65.2000121.1
735F27.2Very low31.8Very low191 Ų191135.8 Ų135.884%0.83877%0.765SS**  trans-131.2168.7-156-119.7-84.9000108.4
736I28.3Very low31.7Very low164 Ų164132.1 Ų132.184%0.84177%0.766SS**  trans76.5141.3157.8-65.5154.2000117.9
737G29.5Very low31.8Very low65 Ų65132.8 Ų132.867%0.6776%0.764SS**  trans127.374.5172.800000113
738S29.5Very low31.9Very low114 Ų114134.6 Ų134.680%0.79776%0.76SS**  5213277.6-66.90000115.8
739P36.6Very low32.2Very low108 Ų108137 Ų13770%0.70176%0.764SS**  trans-143137.2133.134.8-19.5000116.2
740R33Very low32.2Very low228 Ų228136.3 Ų136.386%0.8676%0.759SS**  trans62.6124.3141.4-58.6166.3-173.7166.40.3118.5
741T32.2Very low32.7Very low118 Ų118134.4 Ų134.472%0.72476%0.755SS**  cis84.9145.926.9810000117.1
742N35.5Very low32.9Very low128 Ų128139.5 Ų139.568%0.68476%0.759SS**  trans81.1141.9178.4-53.754.2000114.4
743E35Very low33Very low144 Ų144137.8 Ų137.867%0.67375%0.747SS**  cis-172.5169-6-113.5-178.197.500109.3
744Q35.3Very low33.3Very low149 Ų149143.3 Ų143.370%0.69676%0.759SS**  cis-158.8161.5-10.2-149.6-15998.500110.8
745S34.1Very low33.5Very low91 Ų91136.1 Ų136.164%0.63676%0.755SS**  trans44.1122.2147.8-67.20000126.7
746A33.6Very low33.6Very low103 Ų103132.4 Ų132.485%0.85175%0.753SS**  trans63140.8132.200000121.3
747A34.6Very low34.1Very low88 Ų88131.7 Ų131.773%0.72776%0.756SS**  cis-172.3158.540.200000114.8
748K33.9Very low34.5Very low184 Ų184137.6 Ų137.680%0.877%0.766SS**  trans35125.8151.2-60.9176.9-179.8178.40121.7
749Y33.6Very low34.6Very low212 Ų212137.6 Ų137.683%0.83177%0.765SS**  -17216593.8-112-80.2000113.5
750V34.5Very low34.9Very low125 Ų125137.7 Ų137.776%0.75877%0.765SS**  trans-149.3136.3-173.2163.20000107
751P40.3Very low35Very low101 Ų101132.2 Ų132.266%0.65676%0.762SS**  -157.5159.1103.942.7-23.6000118.5
752Q35.7Very low35.4Very low180 Ų180133 Ų13384%0.84177%0.767SS**  trans47.7158.5132.2-66.7164.5-8.600122.3
753S30.5Very low35.4Very low79 Ų79134.7 Ų134.755%0.55277%0.772SS**  cis173.4169.6-38.452.10000107.9
754F35.2Very low35.6Very low209 Ų209133 Ų13392%0.91777%0.771SS**  trans70.4148.7-174-51.3-82.9000114.5
755G34.6Very low35.7Very low78 Ų78134.3 Ų134.380%0.80478%0.778SS**  cis-157.9167.9-2.600000111.9
756S30.9Very low35.7Very low113 Ų113135 Ų13579%0.7979%0.789SS**  trans-103.7145.3-16954.50000114.6
757T37.7Very low36Very low148 Ų148134.1 Ų134.191%0.90879%0.79SS**  trans-158.2173.2148.85.30000112.8
758H38.3Very low36.3Very low190 Ų190135.8 Ų135.888%0.8880%0.796SS**  trans-94166.2-162.8-93.6-116.2000117
759C31.1Very low36.4Very low113 Ų113138.4 Ų138.476%0.76480%0.801SS**  trans-66.9-173.3163.2-39.30000112.2
760P43.4Very low36.9Very low111 Ų111134.1 Ų134.172%0.72180%0.799SS**  cis-140.3176.80.440.9-21000117.6
761S35.6Very low37.6Very low112 Ų112134.2 Ų134.278%0.78380%0.8SS**  trans29.3133.6146.3-53.80000123.5
762V39.2Very low38.6Very low136 Ų136135.1 Ų135.182%0.82481%0.806SS**  177.4167.7112.81510000111.4
763M35.5Very low39.6Very low162 Ų162132.5 Ų132.580%0.79881%0.805SS**  trans-51.4167.4-179.3-54.1143.896.300114.4
764T39.1Very low40.4Very low108 Ų108136.7 Ų136.766%0.66382%0.82SS**  cis-165.915932.5-27.60000113.2
765Q38.4Very low41.5Very low178 Ų178132.1 Ų132.183%0.83281%0.811SS**  trans50.5124.3149.8-81.5172.433.800123.6
766A35.1Very low42.5Very low105 Ų105134.5 Ų134.587%0.86881%0.813SS**  trans51.8112.1135.300000121.7
767G39.9Very low43Very low84 Ų84138.2 Ų138.287%0.86682%0.817SS**  trans-164.4151.8166.600000112.6
768S39.4Very low43.4Very low124 Ų124138.8 Ų138.887%0.86782%0.815SS**  trans-87.4165.1-171.143.70000115.7
769R35.7Very low43.2Very low239 Ų239140.5 Ų140.590%0.90281%0.813SS**  trans-17.5157.2160.9-86.6-174.1175.1-164.30.4117.9
770P44.2Very low43.8Very low122 Ų122143.1 Ų143.179%0.79282%0.818SS**  cis-143.2-161.934.940.3-18.6000116.8
771T50.7Low43.4Very low127 Ų127142.1 Ų142.178%0.77981%0.814SS**PPolyproline II helixtrans-83.6151.8-175.245.60000115.7
772P59.4Low43.7Very low120 Ų120146.8 Ų146.878%0.77982%0.82SS**PPolyproline II helixtrans-83.4159.8172.734.8-35.8000114.2
773P57.6Low43.6Very low125 Ų125147 Ų14781%0.81282%0.815SS**PPolyproline II helixtrans-96.1171.8-175.438.3-36.9000115.4
774L47.5Very low43.8Very low167 Ų167146.2 Ų146.287%0.87482%0.815SS**PPolyproline II helixtrans-90.6151.5172.2-73.6166.7000112.5
775P59.2Low43.8Very low112 Ų112145.7 Ų145.773%0.72782%0.821SS**PPolyproline II helixtrans-79.3156.4174.933.2-35.3000113.1
776P55.4Low44.3Very low129 Ų129142.3 Ų142.384%0.83881%0.814SS**PPolyproline II helixtrans-87.2152.3-170.834.2-36.4000114.9
777H40.2Very low44.4Very low191 Ų191143.7 Ų143.788%0.88481%0.807SS**PPolyproline II helixtrans-69.2151162.2-90.6-79.1000111.6
778N46.2Very low44.4Very low160 Ų160146.7 Ų146.786%0.85680%0.803SS**  trans-131.2141.9155.6-138.8-19000109.8
779R35.3Very low44.3Very low226 Ų226153 Ų15385%0.85381%0.808SS**  trans-137.6119.3-169.5178.9-158.9-76.5-165.6-2.4109.8
780I42.4Very low44.2Very low168 Ų168149.2 Ų149.286%0.86280%0.803SS**  trans-128.5138.7166.5-62.2-177.7000109.1
781S35Very low43.9Very low90 Ų90151.3 Ų151.363%0.62980%0.802SS**  trans-120.5147.3-172510000112
782K42.3Very low43.4Very low210 Ų210151.5 Ų151.591%0.91380%0.803SS**  trans-136.2140.7152.5-74.6-166.3174.8-177.70109.9
783L37.8Very low42.3Very low139 Ų139152.8 Ų152.873%0.72881%0.809SS**  trans-93.1153.2176.2-67.569.5000109.1
784N40.3Very low41.5Very low147 Ų147149.7 Ų149.779%0.78680%0.8SS**  173.1119.6109.5-88.8-15.5000114.3
785A39Very low41.1Very low96 Ų96148.3 Ų148.379%0.79380%0.801SS**  trans62.2157.4132.400000122.2
786P47.1Very low40.1Very low107 Ų107154.5 Ų154.570%0.69581%0.81SS**  trans-129.2173.6-158.638.6-20.2000115.7
787N38.8Very low39.4Very low135 Ų135153.7 Ų153.772%0.72280%0.798SS**  163.2150.1121.5-87.2-26.3000115.8
788N38.5Very low39.2Very low146 Ų146150.7 Ų150.778%0.78180%0.796SS**  trans53109.6146-59.1-13.8000122.1
789R37.5Very low38.9Very low258 Ų258149.1 Ų149.197%0.97479%0.788SS**  -148.8163.5110.3-145.9165.5-176.1157.72.7111.4
790M34.5Very low39Very low158 Ų158145.7 Ų145.778%0.77878%0.781SS**  trans-133.6174.5-164.7-165.2173.676.300110.7
791Q38.2Very low38.5Very low166 Ų166146.1 Ų146.178%0.77678%0.784SS**  trans82.2143.2177.1-54.4172.3-15.300114.2
792T38.5Very low38.4Very low131 Ų131147.6 Ų147.680%0.80479%0.789SS**  cis-143.5174.93.6-12.70000112.3
793T36.6Very low38Very low147 Ų147148.1 Ų148.190%0.90279%0.785SS**  trans-91.1156.8-166.848.90000116.1
794G40.2Very low37.7Very low61 Ų61150.6 Ų150.663%0.62979%0.785SS**  trans-161142.1163.500000110.7
795P40.5Very low37.3Very low137 Ų137156 Ų15689%0.8979%0.794SS**  trans-72.8143-173.529.8-34.9000112.2
796R38.5Very low37.1Very low242 Ų242156.8 Ų156.891%0.91378%0.782SS**  trans-107.9127.7174.3-76.2-172.3174.4178.9-0.4111.7
797D39.4Very low36.6Very low112 Ų112159 Ų15960%0.59978%0.781SS**  trans-60.5129.2176.9176.64000112.4N799D797-N799 PolarHBondContact O-N 3.12Å; D797-N799 PolarHBondContact OD1-N 3.48Å; D797-N799 PolarHBondContact OD1-ND2 3.5Å
798P37.6Very low36.5Very low129 Ų129158.2 Ų158.284%0.83878%0.776SS**THydrogen-bonded Turntrans-7641.4-179.734.7-38.9000114.7
799N39Very low36.4Very low127 Ų127158.6 Ų158.668%0.67978%0.778SS**THydrogen-bonded Turntrans-115.40.4179.5-82.2-73.9000115.1D797 L801D797-N799 PolarHBondContact O-N 3.12Å; D797-N799 PolarHBondContact OD1-N 3.48Å; D797-N799 PolarHBondContact OD1-ND2 3.5Å; N799-L801 PolarHBondContact O-N 2.89Å
800H36.6Very low36.3Very low153 Ų153153.7 Ų153.771%0.70877%0.771SS**  trans-93.439.8-166.9-143.7-53.5000116.7
801L33.4Very low36.4Very low177 Ų177151.4 Ų151.493%0.92777%0.771SS**  trans-107.741.1175-79.6178000114.5N799N799-L801 PolarHBondContact O-N 2.89Å
802V33Very low36.2Very low121 Ų121151.2 Ų151.273%0.73378%0.775SS**  trans-125.197.8164.5-174.40000110.6
803R32.2Very low36.2Very low221 Ų221149.9 Ų149.983%0.83477%0.771SS**  trans-119.495.6153.2-66.2-169.9-173.8-155.92.9106.1
804R33Very low36Very low191 Ų191147.5 Ų147.572%0.72176%0.758SS**  59.67377.2-162.8177.6-167.8152.44.2111.3Q806R804-Q806 VanDerWaalsContact C-N 3.26Å; R804-Q806 HydrophobicContact CG-CB 4.04Å; R804-Q806 VanDerWaalsContact CZ-OE1 3.27Å; R804-Q806 PolarHBondContact O-N 2.78Å; R804-Q806 VanDerWaalsContact O-N 3.15Å
805W30.6Very low35.9Very low260 Ų260151.7 Ų151.799%0.98577%0.766SS**  trans-75.186.7154.4-83.358.9000107.9
806Q35.1Very low35.5Very low113 Ų113148.2 Ų148.253%0.52876%0.756SS.*  trans-110.9103.7161.8-177.5172.4-23.200104.4R804R804-Q806 VanDerWaalsContact C-N 3.26Å; R804-Q806 HydrophobicContact CG-CB 4.04Å; R804-Q806 VanDerWaalsContact CZ-OE1 3.27Å; R804-Q806 PolarHBondContact O-N 2.78Å; R804-Q806 VanDerWaalsContact O-N 3.15Å
807K36.2Very low35.3Very low155 Ų155142.9 Ų142.967%0.67475%0.75SS**  trans-96.1122.9176-174.5-179.8179.7-175.10107.2
808D36.8Very low35.1Very low117 Ų117145 Ų14563%0.62675%0.754SS**  trans-74.6135.1178-51.7-68.5000109.7D810D808-D810 PolarHBondContact O-N 2.77Å
809D37Very low34.8Very low154 Ų154147.3 Ų147.382%0.82475%0.754SS**  trans-84.785.7-178.5-83.9-40.6000110.4S811D809-S811 PolarHBondContact O-N 3.15Å
810D35.8Very low34.7Very low156 Ų156147.1 Ų147.183%0.83475%0.751SS**  trans-60102.8170.3-86.5-41.4000110.9D808 N812D808-D810 PolarHBondContact O-N 2.77Å; D810-N812 PolarHBondContact O-N 3.43Å; D810-N812 VanDerWaalsContact O-N 3.14Å
811S35.4Very low34.7Very low109 Ų109145 Ų14576%0.76275%0.754SS**THydrogen-bonded Turntrans-92.264.8-166.837.90000112.6D809D809-S811 PolarHBondContact O-N 3.15Å
812N35.5Very low34.8Very low163 Ų163141.7 Ų141.787%0.87274%0.741SS**THydrogen-bonded Turntrans-162.422162.4-105-30.4000117.4D810 P814D810-N812 PolarHBondContact O-N 3.43Å; D810-N812 VanDerWaalsContact O-N 3.14Å; N812-P814 WeakPolarHBondContact O-CD 3.36Å
813S36.9Very low34.9Very low102 Ų102142.8 Ų142.871%0.71374%0.741SS**  trans-95.5113.9172.3-160.90000112.3
814P33.3Very low35.1Very low98 Ų98138.6 Ų138.664%0.63674%0.736SS**SBendtrans-63168.1147.930.4-32.5000110.1N812 G816N812-P814 WeakPolarHBondContact O-CD 3.36Å; P814-G816 PolarHBondContact O-N 2.91Å
815D37.6Very low35.2Very low148 Ų148135.7 Ų135.779%0.79174%0.737SS**  trans60.740.8168.9-50-25.5000116.8T817D815-T817 VanDerWaalsContact C-N 3.32Å; D815-T817 PolarHBondContact O-N 3.12Å; D815-T817 PolarHBondContact O-OG1 3.19Å
816G32.9Very low35.4Very low65 Ų65128.4 Ų128.467%0.6772%0.723SS**  trans-7071.5174.600000115.3P814 F818P814-G816 PolarHBondContact O-N 2.91Å; G816-F818 PolarHBondContact O-N 2.93Å; G816-F818 VanDerWaalsContact O-N 3.16Å
817T33.3Very low35.5Very low130 Ų130129.4 Ų129.480%0.79874%0.735SS**  trans-71101.8173.2-27.20000110.7D815 E819D815-T817 VanDerWaalsContact C-N 3.32Å; D815-T817 PolarHBondContact O-N 3.12Å; D815-T817 PolarHBondContact O-OG1 3.19Å; T817-E819 PolarHBondContact O-N 2.75Å; T817-E819 VanDerWaalsContact O-N 3.12Å
818F35.1Very low35.4Very low157 Ų157127.7 Ų127.769%0.68974%0.739SS**  trans-8585.3-173.8-129.4-80.8000112.3G816 I820G816-F818 PolarHBondContact O-N 2.93Å; G816-F818 VanDerWaalsContact O-N 3.16Å; F818-I820 HydrophobicContact CD1-CG1 4.19Å; F818-I820 PolarHBondContact O-N 3.08Å
819E32.1Very low35.3Very low176 Ų176128.4 Ų128.482%0.82275%0.747SS**  trans-67.1111.8164-75-159.8138.600110.3T817 S821T817-E819 PolarHBondContact O-N 2.75Å; T817-E819 VanDerWaalsContact O-N 3.12Å; E819-S821 PolarHBondContact O-N 3.24Å
820I36.9Very low35.2Very low123 Ų123126.5 Ų126.563%0.63174%0.741SS**  trans-9097165.6-58.9178.6000107.4F818 V822F818-I820 HydrophobicContact CD1-CG1 4.19Å; F818-I820 PolarHBondContact O-N 3.08Å; I820-V822 PolarHBondContact O-N 2.95Å
821S35.9Very low35.1Very low110 Ų110124 Ų12477%0.76973%0.734SS**  trans-54.2133163.9-84.20000109.9E819E819-S821 PolarHBondContact O-N 3.24Å
822V36.7Very low35.1Very low107 Ų107125.4 Ų125.465%0.64873%0.731SS**  trans-66.40-166.4-161.90000112.7K612 R615 I820K612-V822 HydrophobicContact CD-CB 4.42Å; K612-V822 HydrophobicContact CD-CG1 4.38Å; K612-V822 WeakPolarHBondContact CE-O 3.11Å; K612-V822 WeakPolarHBondContact CE-OXT 3.19Å; K612-V822 HydrophobicContact CG-CG1 4.08Å; K612-V822 VanDerWaalsContact NZ-C 3.32Å; K612-V822 PolarHBondContact NZ-O 3.45Å; R615-V822 HydrophobicContact CB-CG2 4.3Å; I820-V822 PolarHBondContact O-N 2.95Å

Retrieved 822 of 822 residues in 170.2 ms (Link to these results)

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