A0A5K4ETN4_SCHMA Loading...

Putative tangerin

AlphaFold DB (A0A5K4EUQ0), UniProt , Accession A0A5K4ETN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 720 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
1M55.1Low65.3Low88 Ų8898.5 Ų98.543%0.43351%0.508SS..  01680-92.8-157-60.400109.4R5 M179M1-R5 HydrophobicContact CE-CB 4.06Å; M1-R5 HydrophobicContact SD-CB 3.65Å; M1-R5 HydrophobicContact SD-CG 4.37Å; M1-M179 HydrophobicContact CE-CB 3.99Å; M1-M179 VanDerWaalsContact CE-O 3.28Å; M1-M179 WeakPolarHBondContact CE-O 3.41Å
2S63.5Low67.1Low74 Ų7493.8 Ų93.852%0.51748%0.48SS..  trans-64.7139.3160.91690000109.9W4 R5S2-W4 PolarHBondContact O-N 2.98Å; S2-W4 PolarHBondContact OG-N 3.27Å; S2-R5 PolarHBondContact O-N 3.44Å
3V64.7Low68.8Low90 Ų9092.6 Ų92.655%0.54547%0.47SS..THydrogen-bonded Turntrans-53.5-36.9179.6-178.80000111.6R5 R6 L7V3-R5 PolarHBondContact O-N 3.13Å; V3-R5 VanDerWaalsContact O-N 3.15Å; V3-R6 WeakPolarHBondContact O-CA 3.48Å; V3-R6 WeakPolarHBondContact O-CB 3.39Å; V3-R6 PolarHBondContact O-N 2.81Å; V3-L7 HydrophobicContact CG1-CD1 4.09Å; V3-L7 HydrophobicContact CG1-CG 4.42Å; V3-L7 PolarHBondContact O-N 2.76Å
4W57.4Low70.3Confident172 Ų17286.4 Ų86.465%0.65244%0.439SS*.Hα-helixtrans-52.5-36.8175.2-172.1-94000113.4S2 R6 L7 Q8S2-W4 PolarHBondContact O-N 2.98Å; S2-W4 PolarHBondContact OG-N 3.27Å; W4-R6 VanDerWaalsContact C-N 3.34Å; W4-L7 PolarHBondContact O-N 3.48Å; W4-Q8 VanDerWaalsContact O-CG 3.3Å; W4-Q8 WeakPolarHBondContact O-CG 3.22Å; W4-Q8 PolarHBondContact O-N 2.86Å
5R65.7Low71.8Confident141 Ų14180.8 Ų80.853%0.53241%0.412SS..Hα-helixtrans-78.3-15.6178.9-65.3-174.3-173.6156.23.7113.9M1 S2 V3 R9M1-R5 HydrophobicContact CE-CB 4.06Å; M1-R5 HydrophobicContact SD-CB 3.65Å; M1-R5 HydrophobicContact SD-CG 4.37Å; S2-R5 PolarHBondContact O-N 3.44Å; V3-R5 PolarHBondContact O-N 3.13Å; V3-R5 VanDerWaalsContact O-N 3.15Å; R5-R9 PolarHBondContact O-NH1 3.46Å
6R62Low73.1Confident97 Ų9779.4 Ų79.437%0.36640%0.402SS..Hα-helixtrans-78.8-50.1165.6-64.1-166.1-175.6114.4-10.4110.1V3 W4 Q8 R9 V10 D176 M179V3-R6 WeakPolarHBondContact O-CA 3.48Å; V3-R6 WeakPolarHBondContact O-CB 3.39Å; V3-R6 PolarHBondContact O-N 2.81Å; W4-R6 VanDerWaalsContact C-N 3.34Å; R6-Q8 PolarHBondContact O-N 3.12Å; R6-R9 WeakPolarHBondContact O-CA 3.39Å; R6-R9 WeakPolarHBondContact O-CB 3.44Å; R6-R9 PolarHBondContact O-N 2.94Å; R6-V10 PolarHBondContact O-N 3.43Å; R6-D176 WeakPolarHBondContact CD-OD1 3.17Å; R6-D176 IonicContact CZ-OD1 2.78Å; R6-D176 IonicContact NE-OD1 3.27Å; R6-D176 PolarHBondContact NE-OD1 3.39Å; R6-D176 IonicContact NE-OD2 2.84Å; R6-M179 HydrophobicContact CB-CE 4.26Å; R6-M179 HydrophobicContact CB-SD 4Å; R6-M179 HydrophobicContact CG-CE 4.24Å; R6-M179 HydrophobicContact CG-SD 4.09Å
7L66.9Low74.3Confident109 Ų10974.7 Ų74.757%0.57138%0.378SS*.Hα-helixtrans-52.5-40.2177-73.1164.9000112.4V3 W4 R9 V10V3-L7 HydrophobicContact CG1-CD1 4.09Å; V3-L7 HydrophobicContact CG1-CG 4.42Å; V3-L7 PolarHBondContact O-N 2.76Å; W4-L7 PolarHBondContact O-N 3.48Å; L7-R9 PolarHBondContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 3.4Å
8Q69.2Low75.5Confident94 Ų9474.8 Ų74.844%0.43938%0.377SS..THydrogen-bonded Turntrans-62-1.7173.3-76.6-179.6-37.300116.2W4 R6 K12W4-Q8 VanDerWaalsContact O-CG 3.3Å; W4-Q8 WeakPolarHBondContact O-CG 3.22Å; W4-Q8 PolarHBondContact O-N 2.86Å; R6-Q8 PolarHBondContact O-N 3.12Å; Q8-K12 WeakPolarHBondContact O-CE 3.12Å; Q8-K12 PolarHBondContact O-NZ 3.35Å
9R70.5Confident76.6Confident38 Ų3870.9 Ų70.914%0.14336%0.357CS..THydrogen-bonded Turntrans-127.3-8.1-177.5-71.8176.417361.228114.9R5 R6 L7 G11 K12 Y84 A174 M179R5-R9 PolarHBondContact O-NH1 3.46Å; R6-R9 WeakPolarHBondContact O-CA 3.39Å; R6-R9 WeakPolarHBondContact O-CB 3.44Å; R6-R9 PolarHBondContact O-N 2.94Å; L7-R9 PolarHBondContact O-N 3.16Å; R9-G11 PolarHBondContact O-N 3.28Å; R9-K12 WeakPolarHBondContact O-CB 3.44Å; R9-K12 PolarHBondContact O-N 2.95Å; R9-K12 VanDerWaalsContact O-N 3.13Å; R9-Y84 PolarHBondContact NE-OH 3.17Å; R9-A174 HydrophobicContact CB-CB 4.38Å; R9-M179 HydrophobicContact CB-CG 4.49Å; R9-M179 HydrophobicContact CB-SD 3.74Å; R9-M179 HydrophobicContact CG-SD 4.36Å
10V69.5Low77.7Confident113 Ų11368.1 Ų68.169%0.68534%0.344SS*.THydrogen-bonded Turntrans-59.2134.9172.1-178.10000108.5R6 L7 K12R6-V10 PolarHBondContact O-N 3.43Å; L7-V10 PolarHBondContact O-N 3.4Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-K12 PolarHBondContact O-N 3.08Å
11G74.3Confident78.6Confident68 Ų6864.8 Ų64.870%0.70133%0.327SS*.THydrogen-bonded Turntrans7317.2-175.800000115.6R9R9-G11 PolarHBondContact O-N 3.28Å
12K86.3Confident80.6Confident41 Ų4161.4 Ų61.418%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-109.7146173.2-62.6-171.4-176.1169.40111.7Q8 R9 V10 R85 N86 E93 A174Q8-K12 WeakPolarHBondContact O-CE 3.12Å; Q8-K12 PolarHBondContact O-NZ 3.35Å; R9-K12 WeakPolarHBondContact O-CB 3.44Å; R9-K12 PolarHBondContact O-N 2.95Å; R9-K12 VanDerWaalsContact O-N 3.13Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-K12 PolarHBondContact O-N 3.08Å; K12-R85 WeakPolarHBondContact CA-O 3.49Å; K12-R85 WeakPolarHBondContact CB-O 3.38Å; K12-N86 VanDerWaalsContact CE-OD1 3.22Å; K12-N86 WeakPolarHBondContact CE-OD1 3.3Å; K12-E93 IonicContact NZ-OE1 3.33Å; K12-E93 PolarHBondContact NZ-OE1 2.89Å; K12-A174 VanDerWaalsContact O-CB 3.25Å; K12-A174 WeakPolarHBondContact O-CB 3.47Å; K12-A174 PolarHBondContact O-N 3.08Å
13K89.1Confident82.2Confident79 Ų7957.9 Ų57.934%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-82.6140168.6-72176.2177.9167.10109Y84 R85 E87 G172K13-Y84 CarbonylContact O-C 3.52Å; K13-Y84 VanDerWaalsContact O-CA 3.25Å; K13-Y84 WeakPolarHBondContact O-CA 3.48Å; K13-R85 HydrophobicContact CB-CG 4.24Å; K13-R85 PolarHBondContact N-O 2.63Å; K13-R85 PolarHBondContact O-N 3.03Å; K13-E87 IonicContact NZ-OE1 2.58Å; K13-G172 CarbonylContact C-O 3.47Å; K13-G172 VanDerWaalsContact CA-O 3.23Å; K13-G172 WeakPolarHBondContact CA-O 3.38Å; K13-G172 WeakPolarHBondContact CB-O 3.47Å
14A90.4Very high83.7Confident5 Ų556.2 Ų56.24%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-112.9140.2176.300000110.1T82 L83 Y84 A171 G172 A174 D178A14-T82 HydrophobicContact CB-CG2 3.99Å; A14-L83 WeakPolarHBondContact CA-O 3.4Å; A14-Y84 HydrophobicContact CB-CD1 3.85Å; A14-Y84 HydrophobicContact CB-CE1 4Å; A14-A171 WeakPolarHBondContact O-CA 3.3Å; A14-G172 PolarHBondContact N-O 3.16Å; A14-G172 PolarHBondContact O-N 2.87Å; A14-A174 HydrophobicContact CB-CB 4.14Å; A14-D178 HydrophobicContact CB-CB 4.12Å
15A92.1Very high85.5Confident3 Ų350 Ų503%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-133.6122174.200000109.9F17 T82 L83 F92 I168 K170A15-F17 HydrophobicContact CB-CD2 4.23Å; A15-F17 HydrophobicContact CB-CE2 3.44Å; A15-F17 VanDerWaalsContact CB-CE2 3.44Å; A15-F17 HydrophobicContact CB-CZ 3.8Å; A15-F17 WeakPolarHBondContact O-CD2 3.44Å; A15-T82 CarbonylContact O-C 3.47Å; A15-T82 VanDerWaalsContact O-CA 3.31Å; A15-T82 WeakPolarHBondContact O-CA 3.49Å; A15-L83 PolarHBondContact N-O 3.37Å; A15-L83 PolarHBondContact O-N 3.34Å; A15-F92 HydrophobicContact CB-CE1 3.52Å; A15-F92 HydrophobicContact CB-CZ 3.68Å; A15-I168 HydrophobicContact CB-CD1 4.06Å; A15-K170 CarbonylContact C-O 3.55Å; A15-K170 WeakPolarHBondContact CA-O 3.35Å
16K92.2Very high87Confident58 Ų5843.3 Ų43.325%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-95.3109.4-178.4-171.2171.8-179.2173.40108.2V80 V169 K170K16-V80 HydrophobicContact CD-CG1 4.3Å; K16-V80 HydrophobicContact CG-CG1 3.66Å; K16-V169 WeakPolarHBondContact O-CA 3.33Å; K16-V169 VanDerWaalsContact O-CB 3.32Å; K16-V169 WeakPolarHBondContact O-CB 3.45Å; K16-V169 PolarHBondContact O-N 2.92Å; K16-K170 HydrophobicContact CB-CB 4.17Å; K16-K170 PolarHBondContact N-O 3.11Å; K16-K170 PolarHBondContact O-N 3.31Å
17F94.6Very high88.5Confident0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-100.6141180-66.4-82.7000111.6A15 I19 V80 T81 L83 F92 V135 S136 V167 I168A15-F17 HydrophobicContact CB-CD2 4.23Å; A15-F17 HydrophobicContact CB-CE2 3.44Å; A15-F17 VanDerWaalsContact CB-CE2 3.44Å; A15-F17 HydrophobicContact CB-CZ 3.8Å; A15-F17 WeakPolarHBondContact O-CD2 3.44Å; F17-I19 HydrophobicContact CB-CD1 3.97Å; F17-V80 CarbonylContact O-C 3.52Å; F17-V80 VanDerWaalsContact O-CA 3.32Å; F17-V80 WeakPolarHBondContact O-CA 3.45Å; F17-T81 HydrophobicContact CB-CG2 3.99Å; F17-T81 PolarHBondContact N-O 3.21Å; F17-T81 PolarHBondContact O-N 3.12Å; F17-L83 HydrophobicContact CD2-CB 4.24Å; F17-L83 HydrophobicContact CD2-CD1 3.75Å; F17-L83 HydrophobicContact CD2-CG 4.27Å; F17-L83 HydrophobicContact CE2-CB 4.12Å; F17-L83 HydrophobicContact CE2-CD1 3.82Å; F17-L83 HydrophobicContact CE2-CG 4.45Å; F17-F92 HydrophobicContact CE2-CD2 4.45Å; F17-F92 HydrophobicContact CE2-CE1 4.21Å; F17-F92 AromaticContact CE2-CE2 3.98Å; F17-F92 HydrophobicContact CE2-CE2 3.98Å; F17-F92 AromaticContact CE2-CZ 3.85Å; F17-F92 HydrophobicContact CE2-CZ 3.85Å; F17-F92 AromaticContact CZ-CE2 3.76Å; F17-F92 HydrophobicContact CZ-CE2 3.76Å; F17-F92 AromaticContact CZ-CZ 3.76Å; F17-F92 HydrophobicContact CZ-CZ 3.76Å; F17-V135 HydrophobicContact CB-CG1 4.4Å; F17-V135 HydrophobicContact CD1-CB 4.2Å; F17-V135 HydrophobicContact CD1-CG1 4.05Å; F17-V135 HydrophobicContact CD2-CB 4.41Å; F17-V135 HydrophobicContact CD2-CG1 4.03Å; F17-V135 HydrophobicContact CE1-CB 4Å; F17-V135 HydrophobicContact CE1-CG1 4.34Å; F17-V135 HydrophobicContact CE2-CB 4.17Å; F17-V135 HydrophobicContact CE2-CG1 4.29Å; F17-V135 HydrophobicContact CE2-CG2 4.2Å; F17-V135 HydrophobicContact CG-CB 4.41Å; F17-V135 HydrophobicContact CG-CG1 3.88Å; F17-V135 HydrophobicContact CZ-CB 3.97Å; F17-V135 HydrophobicContact CZ-CG1 4.45Å; F17-V135 HydrophobicContact CZ-CG2 4.24Å; F17-S136 WeakPolarHBondContact CE1-O 3.3Å; F17-V167 CarbonylContact C-O 3.57Å; F17-V167 WeakPolarHBondContact CA-O 3.49Å; F17-I168 HydrophobicContact CD1-CB 3.98Å; F17-I168 HydrophobicContact CD1-CG1 4.19Å; F17-I168 HydrophobicContact CE1-CB 3.66Å; F17-I168 HydrophobicContact CE1-CD1 3.91Å; F17-I168 HydrophobicContact CE1-CG1 3.73Å; F17-I168 HydrophobicContact CZ-CD1 3.93Å; F17-I168 HydrophobicContact CZ-CG1 4.13Å
18Q95.5Very high89.8Confident76 Ų7635.8 Ų35.836%0.35519%0.194SC..EExtended strand (participates in β ladder)trans-91.7123.1160178.8170.1-6.400107.2E78 V167 V169Q18-E78 PolarHBondContact NE2-OE2 3.35Å; Q18-V167 PolarHBondContact N-O 2.96Å; Q18-V167 PolarHBondContact O-N 2.99Å; Q18-V169 HydrophobicContact CB-CG2 3.69Å
19I96.8Very high91Very high2 Ų234.9 Ų34.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-111.6128177.1-52-61.5000107.8F17 E78 F79 T81 I131 V135 L164 N165F17-I19 HydrophobicContact CB-CD1 3.97Å; I19-E78 CarbonylContact O-C 3.57Å; I19-E78 WeakPolarHBondContact O-CA 3.4Å; I19-F79 HydrophobicContact CB-CD2 3.92Å; I19-F79 HydrophobicContact CB-CE2 3.59Å; I19-F79 HydrophobicContact CB-CZ 3.95Å; I19-F79 HydrophobicContact CG1-CD2 4.27Å; I19-F79 HydrophobicContact CG1-CE2 3.88Å; I19-F79 HydrophobicContact CG2-CE1 4.3Å; I19-F79 HydrophobicContact CG2-CE2 3.8Å; I19-F79 HydrophobicContact CG2-CZ 3.66Å; I19-F79 PolarHBondContact N-O 3.35Å; I19-F79 PolarHBondContact O-N 3.01Å; I19-T81 HydrophobicContact CD1-CG2 4.17Å; I19-T81 HydrophobicContact CG1-CG2 3.54Å; I19-I131 HydrophobicContact CD1-CG2 3.77Å; I19-I131 HydrophobicContact CG1-CG2 3.94Å; I19-I131 HydrophobicContact CG2-CD1 4.45Å; I19-V135 HydrophobicContact CD1-CG1 4.03Å; I19-L164 HydrophobicContact CG2-CD2 4.04Å; I19-N165 WeakPolarHBondContact CA-O 3.42Å
20T97.5Very high92.1Very high13 Ų1333 Ų338%0.0818%0.183CC..EExtended strand (participates in β ladder)trans-115115.8174-58.80000108.1N76 E78 N165T20-N76 HydrophobicContact CG2-CB 3.8Å; T20-E78 HydrophobicContact CG2-CG 3.98Å; T20-E78 VanDerWaalsContact CG2-OE1 3.28Å; T20-E78 WeakPolarHBondContact CG2-OE1 3.44Å; T20-E78 PolarHBondContact OG1-OE1 3.46Å; T20-N165 PolarHBondContact N-O 3.23Å; T20-N165 PolarHBondContact O-N 3.33Å
21A97.3Very high93.1Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-100.9101.6176.700000109.8W43 E75 I77 T163 L164A21-W43 HydrophobicContact CB-CZ2 3.86Å; A21-E75 VanDerWaalsContact O-O 3.12Å; A21-I77 HydrophobicContact CB-CB 4.5Å; A21-I77 PolarHBondContact N-O 3.5Å; A21-I77 PolarHBondContact O-N 2.95Å; A21-T163 CarbonylContact C-O 3.54Å; A21-T163 WeakPolarHBondContact CA-O 3.28Å; A21-L164 HydrophobicContact CB-CD2 3.6Å
22S97.5Very high93.6Very high16 Ų1636.8 Ų36.811%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-86.2114.7178.9-52.10000110.3E75 N76 L162 T163S22-E75 WeakPolarHBondContact CA-O 3.41Å; S22-N76 VanDerWaalsContact CB-OD1 3.29Å; S22-N76 WeakPolarHBondContact CB-OD1 3.29Å; S22-N76 PolarHBondContact OG-OD1 2.9Å; S22-L162 CarbonylContact O-C 3.6Å; S22-L162 WeakPolarHBondContact O-CA 3.42Å; S22-L162 VanDerWaalsContact O-CB 3.27Å; S22-L162 WeakPolarHBondContact O-CB 3.33Å; S22-T163 PolarHBondContact N-O 3.35Å; S22-T163 PolarHBondContact O-N 2.79Å
23L97.2Very high93.4Very high0 Ų044.1 Ų44.10%020%0.203CC..EExtended strand (participates in β ladder)trans-85.6127.4179.4-55.7-179.7000111.2V41 W71 P74 E75 I77 V160 L162L23-V41 HydrophobicContact CD1-CB 3.77Å; L23-V41 HydrophobicContact CD1-CG1 4.07Å; L23-V41 HydrophobicContact CD1-CG2 4.04Å; L23-V41 HydrophobicContact CD2-CG1 4.17Å; L23-W71 HydrophobicContact CB-CD2 3.97Å; L23-W71 HydrophobicContact CB-CE3 4.07Å; L23-W71 HydrophobicContact CB-CH2 3.96Å; L23-W71 HydrophobicContact CB-CZ2 3.85Å; L23-W71 HydrophobicContact CB-CZ3 4.07Å; L23-W71 HydrophobicContact CD1-CH2 3.93Å; L23-W71 HydrophobicContact CD1-CZ2 3.55Å; L23-W71 HydrophobicContact CG-CZ2 4.36Å; L23-P74 VanDerWaalsContact O-CA 3.22Å; L23-P74 WeakPolarHBondContact O-CA 3.06Å; L23-P74 WeakPolarHBondContact O-CB 3.25Å; L23-E75 HydrophobicContact CB-CB 4.44Å; L23-E75 PolarHBondContact N-O 3.43Å; L23-E75 PolarHBondContact O-N 3.15Å; L23-I77 HydrophobicContact CD1-CD1 3.83Å; L23-I77 HydrophobicContact CG-CD1 4.39Å; L23-V160 HydrophobicContact CD2-CG1 4.11Å; L23-L162 HydrophobicContact CD2-CB 4Å; L23-L162 HydrophobicContact CD2-CD2 4.11Å
24H96.1Very high93.4Very high55 Ų5541.1 Ų41.126%0.25519%0.19SC..EExtended strand (participates in β ladder)trans-109.6-49.4-178.8-62.4-71.7000113.1W71 P74 L161 T163H24-W71 PolarHBondContact O-N 2.92Å; H24-P74 VanDerWaalsContact ND1-CG 3.29Å; H24-P74 WeakPolarHBondContact ND1-CG 3.34Å; H24-L161 HydrophobicContact CB-CB 4.49Å; H24-L161 HydrophobicContact CB-CD2 4.26Å; H24-L161 HydrophobicContact CB-CG 4.28Å; H24-L161 PolarHBondContact N-O 3.29Å; H24-T163 PolarHBondContact NE2-OG1 3.39Å
25E95.8Very high93.1Very high41 Ų4145.1 Ų45.119%0.19222%0.218CC..EExtended strand (participates in β ladder)trans-147.9138.3-174.5178.4171.8136.800111.6N27 K68 Y69 V70 V160 L161E25-N27 PolarHBondContact OE1-ND2 3.03Å; E25-N27 PolarHBondContact OE1-OD1 3.06Å; E25-K68 WeakPolarHBondContact OE1-CE 3.5Å; E25-K68 IonicContact OE1-NZ 3.82Å; E25-K68 PolarHBondContact OE1-NZ 2.91Å; E25-K68 WeakPolarHBondContact OE2-CE 3.32Å; E25-K68 IonicContact OE2-NZ 3.62Å; E25-K68 PolarHBondContact OE2-NZ 2.91Å; E25-Y69 CarbonylContact C-O 3.48Å; E25-Y69 WeakPolarHBondContact CA-O 3.15Å; E25-V70 HydrophobicContact CG-CG2 4.16Å; E25-V160 CarbonylContact O-C 3.58Å; E25-V160 WeakPolarHBondContact O-CA 3.29Å; E25-L161 HydrophobicContact CB-CB 4.02Å; E25-L161 HydrophobicContact CB-CD2 4.47Å; E25-L161 PolarHBondContact N-O 3.4Å; E25-L161 PolarHBondContact O-N 3.34Å
26L95.8Very high92.8Very high1 Ų145.6 Ų45.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-116.5127.6165.9173.871.9000108.6I28 L39 F55 K68 Y69 W71 I101 V160L26-I28 HydrophobicContact CD1-CG2 3.82Å; L26-I28 HydrophobicContact CD2-CG2 4.13Å; L26-I28 HydrophobicContact CG-CG2 4.02Å; L26-L39 HydrophobicContact CD2-CD1 3.91Å; L26-F55 HydrophobicContact CD2-CE2 3.74Å; L26-F55 HydrophobicContact CD2-CZ 3.88Å; L26-K68 CarbonylContact O-C 3.53Å; L26-K68 WeakPolarHBondContact O-CA 2.98Å; L26-Y69 PolarHBondContact N-O 3.46Å; L26-Y69 PolarHBondContact O-N 2.81Å; L26-W71 HydrophobicContact CB-CH2 4.32Å; L26-W71 HydrophobicContact CB-CZ3 4.02Å; L26-I101 HydrophobicContact CD1-CD1 3.47Å; L26-I101 VanDerWaalsContact CD1-CD1 3.47Å; L26-I101 HydrophobicContact CD1-CG1 4.3Å; L26-V160 HydrophobicContact CD1-CG2 3.5Å
27N94.5Very high92.5Very high45 Ų4543.4 Ų43.424%0.24121%0.214CC..EExtended strand (participates in β ladder)trans-113.3133.4161-58.1-65.8000109.1E25 K68 A158 T159E25-N27 PolarHBondContact OE1-ND2 3.03Å; E25-N27 PolarHBondContact OE1-OD1 3.06Å; N27-K68 WeakPolarHBondContact OD1-CD 3.46Å; N27-K68 VanDerWaalsContact OD1-CG 3.29Å; N27-K68 WeakPolarHBondContact OD1-CG 3.36Å; N27-A158 WeakPolarHBondContact O-CA 3.22Å; N27-T159 PolarHBondContact N-O 2.87Å; N27-T159 PolarHBondContact O-N 2.96Å
28I94.5Very high92.3Very high3 Ų344.4 Ų44.42%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-132.7147.9168.160.4179.2000110L26 P36 L39 F67 I101 L155 S157 A158L26-I28 HydrophobicContact CD1-CG2 3.82Å; L26-I28 HydrophobicContact CD2-CG2 4.13Å; L26-I28 HydrophobicContact CG-CG2 4.02Å; I28-P36 HydrophobicContact CD1-CB 4.19Å; I28-P36 HydrophobicContact CD1-CG 4.07Å; I28-L39 HydrophobicContact CD1-CD1 3.52Å; I28-F67 HydrophobicContact CD1-CB 4.4Å; I28-F67 HydrophobicContact CG1-CB 3.89Å; I28-F67 PolarHBondContact N-O 2.93Å; I28-F67 PolarHBondContact O-N 3.2Å; I28-F67 VanDerWaalsContact O-O 3.11Å; I28-I101 HydrophobicContact CG2-CD1 4.24Å; I28-L155 HydrophobicContact CB-CD2 4.29Å; I28-L155 HydrophobicContact CD1-CD2 4.4Å; I28-L155 HydrophobicContact CG2-CD1 4.36Å; I28-S157 WeakPolarHBondContact CA-O 3.32Å; I28-A158 HydrophobicContact CG2-CB 3.96Å
29E93.7Very high92.3Very high75 Ų7540.8 Ų40.835%0.3520%0.203SC..EExtended strand (participates in β ladder)trans-117.3125.2170.4-170.7-168.7172.300107.9L155 I156 S157E29-L155 CarbonylContact O-C 3.59Å; E29-L155 WeakPolarHBondContact O-CA 3.29Å; E29-I156 HydrophobicContact CB-CB 4.17Å; E29-I156 HydrophobicContact CG-CB 3.98Å; E29-I156 HydrophobicContact CG-CD1 4.23Å; E29-I156 HydrophobicContact CG-CG2 4.43Å; E29-I156 PolarHBondContact O-N 3.25Å; E29-I156 WeakPolarHBondContact OE2-CG2 3.49Å; E29-S157 WeakPolarHBondContact CB-OG 3.47Å; E29-S157 PolarHBondContact N-O 2.79Å; E29-S157 PolarHBondContact O-N 2.78Å; E29-S157 PolarHBondContact OE2-OG 3.07Å
30C92.3Very high92.2Very high0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-101.3157.9-175.5-64.90000111.3Y34 N65 F67 K154 L155 I156C30-Y34 HydrophobicContact CB-CD1 4Å; C30-Y34 VanDerWaalsContact CB-O 3.25Å; C30-Y34 WeakPolarHBondContact CB-O 3.33Å; C30-N65 HydrophobicContact CB-CB 4.23Å; C30-N65 PolarHBondContact N-O 2.84Å; C30-N65 WeakPolarHBondContact O-CB 3.43Å; C30-F67 HydrophobicContact CB-CD2 4.32Å; C30-F67 HydrophobicContact CB-CE2 3.99Å; C30-K154 CarbonylContact C-O 3.59Å; C30-K154 WeakPolarHBondContact CA-O 3.29Å; C30-L155 HydrophobicContact CB-CD2 4.42Å; C30-L155 WeakPolarHBondContact SG-CD2 3.27Å; C30-I156 WeakPolarHBondContact O-CD1 3.37Å
31S90.5Very high92.1Very high33 Ų3340.7 Ų40.723%0.23120%0.202CC..  trans-68.7152.8167.469.80000110.7Q33 Y34 K154S31-Q33 PolarHBondContact O-N 3.14Å; S31-Y34 PolarHBondContact O-N 3.23Å; S31-K154 PolarHBondContact N-O 3.3Å
32R86.2Confident92.1Very high227 Ų22740.7 Ų40.786%0.85720%0.203SC*.THydrogen-bonded Turntrans-55.2-8.6-177.4-66.3-178.1-178.7-161.60.2115.8N65R32-N65 WeakPolarHBondContact CA-OD1 3.33Å
33Q82.5Confident92Very high194 Ų19440 Ų4091%0.90720%0.197SC*.THydrogen-bonded Turntrans-114.19-177.4-64.2176.6-16.100112.8S31S31-Q33 PolarHBondContact O-N 3.14Å
34Y87.4Confident91.9Very high16 Ų1640.5 Ų40.56%0.06320%0.201CC..  trans-135.1114.5-176.6175-120.5000113.1C30 S31 P36 D103 L124 K154 L155C30-Y34 HydrophobicContact CB-CD1 4Å; C30-Y34 VanDerWaalsContact CB-O 3.25Å; C30-Y34 WeakPolarHBondContact CB-O 3.33Å; S31-Y34 PolarHBondContact O-N 3.23Å; Y34-P36 HydrophobicContact CE1-CB 4.19Å; Y34-D103 PolarHBondContact OH-OD2 3.37Å; Y34-L124 HydrophobicContact CE1-CD1 4.28Å; Y34-L124 HydrophobicContact CE1-CD2 4.38Å; Y34-L124 WeakPolarHBondContact OH-CD1 3.2Å; Y34-K154 HydrophobicContact CD1-CB 3.54Å; Y34-K154 HydrophobicContact CD1-CD 4.04Å; Y34-K154 HydrophobicContact CD1-CG 4.17Å; Y34-K154 HydrophobicContact CD2-CD 3.66Å; Y34-K154 HydrophobicContact CD2-CG 4.36Å; Y34-K154 HydrophobicContact CE1-CB 3.88Å; Y34-K154 HydrophobicContact CE1-CD 4.05Å; Y34-K154 HydrophobicContact CE2-CD 3.71Å; Y34-K154 HydrophobicContact CG-CB 3.89Å; Y34-K154 HydrophobicContact CG-CD 3.79Å; Y34-K154 HydrophobicContact CG-CG 4.01Å; Y34-L155 HydrophobicContact CE1-CD2 4.23Å
35S85.4Confident91.7Very high90 Ų9039.8 Ų39.863%0.62920%0.196SC*.  trans-87.2130.3154.844.30000110.1
36P86Confident91.2Very high12 Ų1246.4 Ų46.48%0.07822%0.219CC..  trans-66.6147.3168.130.7-34000110.5I28 Y34 L39 P57 F67I28-P36 HydrophobicContact CD1-CB 4.19Å; I28-P36 HydrophobicContact CD1-CG 4.07Å; Y34-P36 HydrophobicContact CE1-CB 4.19Å; P36-L39 HydrophobicContact CB-CD1 4.19Å; P36-L39 HydrophobicContact CB-CD2 3.98Å; P36-L39 HydrophobicContact CB-CG 4.25Å; P36-P57 HydrophobicContact CB-CG 4.08Å; P36-P57 HydrophobicContact CG-CG 3.54Å; P36-F67 HydrophobicContact CG-CD1 4.04Å; P36-F67 HydrophobicContact CG-CD2 4.13Å; P36-F67 HydrophobicContact CG-CE1 4.16Å; P36-F67 HydrophobicContact CG-CE2 4.26Å; P36-F67 HydrophobicContact CG-CG 4.04Å; P36-F67 HydrophobicContact CG-CZ 4.28Å
37G85.5Confident90.4Very high12 Ų1251.4 Ų51.412%0.12426%0.255CS..  trans-90.3-146.8167.200000111.2L39G37-L39 PolarHBondContact O-N 2.79Å
38N91.3Very high90Very high22 Ų2252 Ų5212%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-61.7123.7168.9-68.4-82.2000110F55 V104 G105N38-F55 WeakPolarHBondContact CA-O 3.41Å; N38-V104 PolarHBondContact O-N 2.85Å; N38-G105 VanDerWaalsContact CB-O 3.31Å; N38-G105 WeakPolarHBondContact CB-O 3.49Å; N38-G105 PolarHBondContact N-O 3.49Å; N38-G105 PolarHBondContact ND2-O 2.93Å
39L93.8Very high89.9Confident0 Ų057.4 Ų57.40%027%0.274CS..EExtended strand (participates in β ladder)trans-100.4152.7175.4-59.3-174000110.9L26 I28 P36 G37 S54 F55 P57 I101 E102 D103 L124L26-L39 HydrophobicContact CD2-CD1 3.91Å; I28-L39 HydrophobicContact CD1-CD1 3.52Å; P36-L39 HydrophobicContact CB-CD1 4.19Å; P36-L39 HydrophobicContact CB-CD2 3.98Å; P36-L39 HydrophobicContact CB-CG 4.25Å; G37-L39 PolarHBondContact O-N 2.79Å; L39-S54 WeakPolarHBondContact O-CA 3.09Å; L39-F55 HydrophobicContact CB-CD2 4.38Å; L39-F55 HydrophobicContact CB-CE2 3.84Å; L39-F55 HydrophobicContact CB-CZ 3.93Å; L39-F55 PolarHBondContact N-O 3.42Å; L39-F55 WeakPolarHBondContact O-CD1 3.06Å; L39-F55 PolarHBondContact O-N 3.38Å; L39-P57 HydrophobicContact CD1-CB 4.29Å; L39-P57 HydrophobicContact CD1-CG 3.82Å; L39-P57 HydrophobicContact CG-CG 4.23Å; L39-I101 HydrophobicContact CD1-CG2 4.34Å; L39-E102 WeakPolarHBondContact CA-O 3.38Å; L39-D103 HydrophobicContact CD2-CB 4.22Å; L39-L124 HydrophobicContact CD2-CD1 3.76Å
40V95Very high90Very high12 Ų1257.1 Ų57.17%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-136.9135.6172.7170.30000108.6V42 P51 E102 V104V40-V42 HydrophobicContact CG1-CG2 3.7Å; V40-P51 HydrophobicContact CG1-CB 3.59Å; V40-E102 PolarHBondContact N-O 3.47Å; V40-E102 PolarHBondContact O-N 2.94Å; V40-V104 HydrophobicContact CB-CG2 4.09Å; V40-V104 HydrophobicContact CG2-CG2 3.68Å
41V96.2Very high90.1Very high0 Ų061 Ų610%030%0.295CS..EExtended strand (participates in β ladder)trans-90.7125.7167.6179.10000108.1L23 P51 S52 F55 W71 Q100L23-V41 HydrophobicContact CD1-CB 3.77Å; L23-V41 HydrophobicContact CD1-CG1 4.07Å; L23-V41 HydrophobicContact CD1-CG2 4.04Å; L23-V41 HydrophobicContact CD2-CG1 4.17Å; V41-P51 CarbonylContact O-C 3.58Å; V41-P51 WeakPolarHBondContact O-CA 3.45Å; V41-S52 PolarHBondContact N-OG 2.85Å; V41-S52 PolarHBondContact O-N 2.8Å; V41-F55 HydrophobicContact CG2-CE1 4.27Å; V41-F55 HydrophobicContact CG2-CZ 4.21Å; V41-W71 HydrophobicContact CG2-CH2 4.2Å; V41-Q100 CarbonylContact C-O 3.54Å
42V96.3Very high90.4Very high1 Ų159.9 Ų59.91%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-119.3121.5-177.6-172.30000110.4V40 R49 P51 C99 Q100 E102V40-V42 HydrophobicContact CG1-CG2 3.7Å; V42-R49 HydrophobicContact CG1-CB 4.24Å; V42-R49 HydrophobicContact CG1-CG 4.47Å; V42-P51 HydrophobicContact CG2-CB 4.18Å; V42-C99 WeakPolarHBondContact O-CA 3.48Å; V42-Q100 HydrophobicContact CB-CG 4.06Å; V42-Q100 PolarHBondContact N-O 2.75Å; V42-Q100 PolarHBondContact O-N 2.66Å; V42-E102 HydrophobicContact CG2-CB 4.49Å; V42-E102 HydrophobicContact CG2-CG 4.27Å
43W96.8Very high90.6Very high0 Ų056.7 Ų56.70%028%0.28CS..EExtended strand (participates in β ladder)trans-87.3126.5162.9-75.787.7000109.7A21 R49 Y50 I77 F79 W97 I98 C99 I129 I131 L162 L164A21-W43 HydrophobicContact CB-CZ2 3.86Å; W43-R49 CarbonylContact O-C 3.54Å; W43-R49 WeakPolarHBondContact O-CA 3.49Å; W43-Y50 PolarHBondContact N-O 2.86Å; W43-Y50 PolarHBondContact O-N 2.93Å; W43-I77 HydrophobicContact CB-CG2 4.49Å; W43-F79 HydrophobicContact CB-CD1 4.24Å; W43-F79 HydrophobicContact CB-CE1 3.93Å; W43-F79 AromaticContact CD2-CE1 3.71Å; W43-F79 HydrophobicContact CD2-CE1 3.71Å; W43-F79 HydrophobicContact CD2-CZ 4.08Å; W43-F79 AromaticContact CE3-CE1 3.82Å; W43-F79 HydrophobicContact CE3-CE1 3.82Å; W43-F79 AromaticContact CE3-CZ 3.69Å; W43-F79 HydrophobicContact CE3-CZ 3.69Å; W43-F79 HydrophobicContact CG-CD1 4.47Å; W43-F79 AromaticContact CG-CE1 3.78Å; W43-F79 HydrophobicContact CG-CE1 3.78Å; W43-F79 HydrophobicContact CZ3-CZ 4.09Å; W43-W97 HydrophobicContact CE3-CB 4.14Å; W43-W97 HydrophobicContact CZ3-CB 4.25Å; W43-I98 CarbonylContact C-O 3.54Å; W43-C99 HydrophobicContact CD2-CB 4.16Å; W43-C99 HydrophobicContact CE3-CB 4.25Å; W43-C99 HydrophobicContact CH2-CB 4.3Å; W43-C99 HydrophobicContact CZ2-CB 4.19Å; W43-C99 HydrophobicContact CZ3-CB 4.31Å; W43-I129 HydrophobicContact CH2-CB 4.45Å; W43-I129 HydrophobicContact CH2-CD1 3.5Å; W43-I129 VanDerWaalsContact CH2-CD1 3.5Å; W43-I129 HydrophobicContact CH2-CG2 4.37Å; W43-I129 HydrophobicContact CZ2-CD1 4.21Å; W43-I129 HydrophobicContact CZ3-CB 4.34Å; W43-I129 HydrophobicContact CZ3-CD1 4.01Å; W43-I131 HydrophobicContact CZ3-CD1 4.15Å; W43-L162 HydrophobicContact CZ2-CD1 4.37Å; W43-L162 HydrophobicContact CZ2-CD2 3.85Å; W43-L164 HydrophobicContact CH2-CD1 4.27Å; W43-L164 HydrophobicContact CH2-CD2 3.85Å; W43-L164 HydrophobicContact CZ2-CD2 3.86Å
44S94.6Very high91.1Very high11 Ų1150 Ų508%0.07725%0.254CS..EExtended strand (participates in β ladder)trans-143.8146.8-175.468.30000113.9R48 I98S44-R48 CarbonylContact C-O 3.5Å; S44-R48 VanDerWaalsContact CA-O 3.29Å; S44-R48 WeakPolarHBondContact CA-O 3.25Å; S44-I98 PolarHBondContact N-O 2.84Å; S44-I98 PolarHBondContact O-N 2.94Å; S44-I98 PolarHBondContact OG-O 3.24Å
45R91.8Very high91.2Very high41 Ų4149.7 Ų49.716%0.15525%0.253CS..EExtended strand (participates in β ladder)trans-159.2116.4175.3-171.3174.5-164.4-92.4-2.6111.3R48 K95 E96 W97R45-R48 PolarHBondContact N-O 3.41Å; R45-R48 PolarHBondContact O-N 2.92Å; R45-K95 VanDerWaalsContact NH1-CE 3.28Å; R45-K95 VanDerWaalsContact NH2-CG 3.28Å; R45-E96 WeakPolarHBondContact CD-O 3.38Å; R45-E96 PolarHBondContact NE-O 3.25Å; R45-W97 HydrophobicContact CB-CD2 3.57Å; R45-W97 HydrophobicContact CB-CE3 3.46Å; R45-W97 VanDerWaalsContact CB-CE3 3.46Å; R45-W97 HydrophobicContact CB-CG 4.08Å; R45-W97 HydrophobicContact CB-CH2 4.44Å; R45-W97 HydrophobicContact CB-CZ3 3.91Å; R45-W97 HydrophobicContact CG-CD2 4.29Å; R45-W97 HydrophobicContact CG-CG 4.46Å
46R85Confident91.4Very high179 Ų17951.6 Ų51.668%0.67525%0.252SS*.THydrogen-bonded Turntrans54.3-137.6-169.5-52.1172.5-175.4160.7-0.9108.6R48R46-R48 PolarHBondContact O-N 2.96Å
47S78.7Confident91.5Very high107 Ų10751.5 Ų51.575%0.74825%0.251SS*.THydrogen-bonded Turntrans-72.20.2179.1-36.80000115.4
48R87.4Confident91.6Very high56 Ų5655.8 Ų55.821%0.21128%0.275CS..EExtended strand (participates in β ladder)trans-95.1133.8179.5-56.5-171.8-59.8170.76.8110.6S44 R45 R46 Y50 V80S44-R48 CarbonylContact C-O 3.5Å; S44-R48 VanDerWaalsContact CA-O 3.29Å; S44-R48 WeakPolarHBondContact CA-O 3.25Å; R45-R48 PolarHBondContact N-O 3.41Å; R45-R48 PolarHBondContact O-N 2.92Å; R46-R48 PolarHBondContact O-N 2.96Å; R48-Y50 HydrophobicContact CB-CE2 3.93Å; R48-V80 PolarHBondContact NH1-O 3.01Å
49R92.9Very high91.3Very high118 Ų11859.9 Ų59.945%0.44529%0.292SS..EExtended strand (participates in β ladder)trans-141.1133.5179.5-72.6172.955.988.7-5.4109.1V42 W43 E102V42-R49 HydrophobicContact CG1-CB 4.24Å; V42-R49 HydrophobicContact CG1-CG 4.47Å; W43-R49 CarbonylContact O-C 3.54Å; W43-R49 WeakPolarHBondContact O-CA 3.49Å; R49-E102 IonicContact CZ-OE1 2.84Å; R49-E102 VanDerWaalsContact CZ-OE1 3.27Å; R49-E102 IonicContact CZ-OE2 2.75Å; R49-E102 IonicContact NH1-OE1 3.52Å; R49-E102 PolarHBondContact NH1-OE1 3.15Å; R49-E102 IonicContact NH2-OE1 2.79Å; R49-E102 PolarHBondContact NH2-OE1 3.03Å; R49-E102 IonicContact NH2-OE2 3.46Å; R49-E102 PolarHBondContact NH2-OE2 2.97Å
50Y95.1Very high90.9Very high68 Ų6861.5 Ų61.527%0.26730%0.303SS..EExtended strand (participates in β ladder)trans-129.195.5-179.4-59.7-94.7000107.4W43 R48 E78 F79 W97W43-Y50 PolarHBondContact N-O 2.86Å; W43-Y50 PolarHBondContact O-N 2.93Å; R48-Y50 HydrophobicContact CB-CE2 3.93Å; Y50-E78 WeakPolarHBondContact CD1-O 3.49Å; Y50-F79 HydrophobicContact CD1-CB 4.13Å; Y50-F79 HydrophobicContact CD2-CB 3.85Å; Y50-F79 HydrophobicContact CD2-CG 4.47Å; Y50-F79 HydrophobicContact CE1-CB 3.92Å; Y50-F79 HydrophobicContact CE2-CB 3.62Å; Y50-F79 HydrophobicContact CG-CB 4.11Å; Y50-W97 HydrophobicContact CD2-CH2 4.29Å; Y50-W97 AromaticContact CD2-CZ3 3.91Å; Y50-W97 HydrophobicContact CD2-CZ3 3.91Å; Y50-W97 AromaticContact CE2-CH2 3.82Å; Y50-W97 HydrophobicContact CE2-CH2 3.82Å; Y50-W97 AromaticContact CE2-CZ3 3.85Å; Y50-W97 HydrophobicContact CE2-CZ3 3.85Å
51P94.5Very high89.8Confident82 Ų8267.5 Ų67.553%0.53235%0.345SS..EExtended strand (participates in β ladder)trans-84.3149.917933.6-33.2000112.1V40 V41 V42V40-P51 HydrophobicContact CG1-CB 3.59Å; V41-P51 CarbonylContact O-C 3.58Å; V41-P51 WeakPolarHBondContact O-CA 3.45Å; V42-P51 HydrophobicContact CG2-CB 4.18Å
52S95.5Very high88.6Confident10 Ų1070.9 Ų70.97%0.0738%0.381CS..PPolyproline II helixtrans-66.4169.5159.471.20000111.2V41V41-S52 PolarHBondContact N-OG 2.85Å; V41-S52 PolarHBondContact O-N 2.8Å
53K92.2Very high87.3Confident160 Ų16076.2 Ų76.270%0.69641%0.409SS*.PPolyproline II helixtrans-55.8153.5155.6-67.9161.2-172.3170.90109.9E75K53-E75 WeakPolarHBondContact CB-OE1 3.37Å; K53-E75 WeakPolarHBondContact CD-OE1 3.37Å; K53-E75 VanDerWaalsContact CG-OE1 3.23Å; K53-E75 WeakPolarHBondContact CG-OE1 3.47Å; K53-E75 PolarHBondContact N-OE1 2.87Å
54S91.6Very high86.1Confident52 Ų5280.1 Ų80.136%0.36444%0.436SS..PPolyproline II helixtrans-80.1127.3174.659.90000110.7L39L39-S54 WeakPolarHBondContact O-CA 3.09Å
55F90.9Very high85.7Confident11 Ų1181.4 Ų81.45%0.04844%0.442CS..BIsolated β-bridgetrans-127.3152.3178.657.7-89.4000111.4L26 N38 L39 V41 Y69 W71L26-F55 HydrophobicContact CD2-CE2 3.74Å; L26-F55 HydrophobicContact CD2-CZ 3.88Å; N38-F55 WeakPolarHBondContact CA-O 3.41Å; L39-F55 HydrophobicContact CB-CD2 4.38Å; L39-F55 HydrophobicContact CB-CE2 3.84Å; L39-F55 HydrophobicContact CB-CZ 3.93Å; L39-F55 PolarHBondContact N-O 3.42Å; L39-F55 WeakPolarHBondContact O-CD1 3.06Å; L39-F55 PolarHBondContact O-N 3.38Å; V41-F55 HydrophobicContact CG2-CE1 4.27Å; V41-F55 HydrophobicContact CG2-CZ 4.21Å; F55-Y69 HydrophobicContact CB-CD1 4.35Å; F55-Y69 HydrophobicContact CB-CD2 4.33Å; F55-Y69 HydrophobicContact CB-CE1 3.84Å; F55-Y69 HydrophobicContact CB-CE2 3.83Å; F55-Y69 HydrophobicContact CD1-CE1 4.38Å; F55-Y69 AromaticContact CD2-CD1 3.53Å; F55-Y69 HydrophobicContact CD2-CD1 3.53Å; F55-Y69 AromaticContact CD2-CD2 3.84Å; F55-Y69 HydrophobicContact CD2-CD2 3.84Å; F55-Y69 AromaticContact CD2-CE1 3.91Å; F55-Y69 HydrophobicContact CD2-CE1 3.91Å; F55-Y69 HydrophobicContact CD2-CE2 4.2Å; F55-Y69 AromaticContact CD2-CG 3.5Å; F55-Y69 HydrophobicContact CD2-CG 3.5Å; F55-Y69 VanDerWaalsContact CD2-CG 3.5Å; F55-Y69 AromaticContact CE2-CD1 3.91Å; F55-Y69 HydrophobicContact CE2-CD1 3.91Å; F55-Y69 AromaticContact CE2-CG 3.95Å; F55-Y69 HydrophobicContact CE2-CG 3.95Å; F55-Y69 AromaticContact CG-CD1 3.89Å; F55-Y69 HydrophobicContact CG-CD1 3.89Å; F55-Y69 HydrophobicContact CG-CD2 4.42Å; F55-Y69 AromaticContact CG-CE1 3.78Å; F55-Y69 HydrophobicContact CG-CE1 3.78Å; F55-Y69 HydrophobicContact CG-CE2 4.34Å; F55-Y69 HydrophobicContact CG-CG 4.22Å; F55-W71 HydrophobicContact CD1-CH2 4.46Å; F55-W71 AromaticContact CD1-CZ2 3.84Å; F55-W71 HydrophobicContact CD1-CZ2 3.84Å; F55-W71 AromaticContact CE1-CH2 3.75Å; F55-W71 HydrophobicContact CE1-CH2 3.75Å; F55-W71 AromaticContact CE1-CZ2 3.44Å; F55-W71 HydrophobicContact CE1-CZ2 3.44Å; F55-W71 VanDerWaalsContact CE1-CZ2 3.44Å; F55-W71 HydrophobicContact CE2-CH2 4.33Å; F55-W71 AromaticContact CZ-CH2 3.68Å; F55-W71 HydrophobicContact CZ-CH2 3.68Å; F55-W71 AromaticContact CZ-CZ2 3.88Å; F55-W71 HydrophobicContact CZ-CZ2 3.88Å
56E88.8Confident85.7Confident130 Ų13080.7 Ų80.761%0.60744%0.444SS*.PPolyproline II helixtrans-100.6122.6174.7-172.2163-159.700108.9Y69E56-Y69 WeakPolarHBondContact O-CD2 3.42Å
57P87.5Confident86Confident10 Ų1073.2 Ų73.27%0.06542%0.416CS..PPolyproline II helixtrans-82.8136.6-172.935.5-37.6000111.3P36 L39 F67P36-P57 HydrophobicContact CB-CG 4.08Å; P36-P57 HydrophobicContact CG-CG 3.54Å; L39-P57 HydrophobicContact CD1-CB 4.29Å; L39-P57 HydrophobicContact CD1-CG 3.82Å; L39-P57 HydrophobicContact CG-CG 4.23Å; P57-F67 HydrophobicContact CB-CB 4.07Å; P57-F67 HydrophobicContact CG-CB 4.35Å; P57-F67 HydrophobicContact CG-CD1 4.46Å
58V87.2Confident86.6Confident101 Ų10171.9 Ų71.961%0.61240%0.397SS*.EExtended strand (participates in β ladder)trans-81.4134.4-175-176.20000110.1F67 K68V58-F67 CarbonylContact O-C 3.55Å; V58-F67 VanDerWaalsContact O-CA 3.25Å; V58-F67 WeakPolarHBondContact O-CA 3.37Å; V58-K68 WeakPolarHBondContact CB-O 3.08Å; V58-K68 PolarHBondContact N-O 3.24Å; V58-K68 PolarHBondContact O-N 2.86Å; V58-K68 VanDerWaalsContact O-O 3.12Å
59K86.6Confident86.9Confident109 Ų10972.2 Ų72.247%0.47440%0.399SS..EExtended strand (participates in β ladder)trans-71.8129.7177.6-174.6172.8174.6168.20111S64 F67K59-S64 WeakPolarHBondContact CE-O 3.35Å; K59-S64 PolarHBondContact NZ-O 3.41Å; K59-S64 PolarHBondContact NZ-OG 2.95Å; K59-F67 HydrophobicContact CB-CD1 3.91Å; K59-F67 HydrophobicContact CB-CE1 3.83Å; K59-F67 HydrophobicContact CD-CE1 4.43Å; K59-F67 HydrophobicContact CG-CD1 4.43Å; K59-F67 HydrophobicContact CG-CE1 4.15Å; K59-F67 HydrophobicContact CG-CZ 4.48Å
60S83.9Confident87Confident33 Ų3370.4 Ų70.423%0.23140%0.4CS..PPolyproline II helixtrans-72135.5178.4-53.20000111.2G62 S66S60-G62 PolarHBondContact O-N 3.23Å; S60-S66 PolarHBondContact N-O 2.77Å; S60-S66 PolarHBondContact OG-O 3.48Å; S60-S66 PolarHBondContact OG-OG 3.43Å
61S73.2Confident86.9Confident138 Ų13868.1 Ų68.197%0.96539%0.391SS*.THydrogen-bonded Turntrans-63.8-38.1-174.149.70000114.6
62G70Confident86.6Confident72 Ų7270.3 Ų70.374%0.74241%0.408SS*.THydrogen-bonded Turntrans-83.3-17.2-175.500000116.2S60S60-G62 PolarHBondContact O-N 3.23Å
63N69.4Low86.4Confident113 Ų11377 Ų7760%0.60444%0.44SS*.SBendtrans-134.7114.8-170.6-90.5-35.2000111.7N65 S66N63-N65 PolarHBondContact O-N 3.18Å; N63-S66 PolarHBondContact O-N 3.48Å
64S71.5Confident86.4Confident82 Ų8271.5 Ų71.557%0.57342%0.421SS*.THydrogen-bonded Turntrans-62.7-8.1-166-160.20000116.5K59K59-S64 WeakPolarHBondContact CE-O 3.35Å; K59-S64 PolarHBondContact NZ-O 3.41Å; K59-S64 PolarHBondContact NZ-OG 2.95Å
65N87Confident86.6Confident37 Ų3770.4 Ų70.420%0.19841%0.41CS..THydrogen-bonded Turntrans-135.514.1172.5-46.5-77000113.8C30 R32 N63 F67C30-N65 HydrophobicContact CB-CB 4.23Å; C30-N65 PolarHBondContact N-O 2.84Å; C30-N65 WeakPolarHBondContact O-CB 3.43Å; R32-N65 WeakPolarHBondContact CA-OD1 3.33Å; N63-N65 PolarHBondContact O-N 3.18Å; N65-F67 VanDerWaalsContact O-CD2 3.32Å; N65-F67 WeakPolarHBondContact O-CD2 3.43Å; N65-F67 WeakPolarHBondContact O-CE2 3.31Å
66S90.2Very high86.8Confident27 Ų2774.3 Ų74.319%0.18943%0.432CS..EExtended strand (participates in β ladder)trans-82.4134.2169.9173.10000108.9S60 N63S60-S66 PolarHBondContact N-O 2.77Å; S60-S66 PolarHBondContact OG-O 3.48Å; S60-S66 PolarHBondContact OG-OG 3.43Å; N63-S66 PolarHBondContact O-N 3.48Å
67F92.3Very high87.2Confident21 Ų2168.5 Ų68.59%0.09241%0.405CS..EExtended strand (participates in β ladder)trans-128.2134.2173-58.6-102.7000109.3I28 C30 P36 P57 V58 K59 N65I28-F67 HydrophobicContact CD1-CB 4.4Å; I28-F67 HydrophobicContact CG1-CB 3.89Å; I28-F67 PolarHBondContact N-O 2.93Å; I28-F67 PolarHBondContact O-N 3.2Å; I28-F67 VanDerWaalsContact O-O 3.11Å; C30-F67 HydrophobicContact CB-CD2 4.32Å; C30-F67 HydrophobicContact CB-CE2 3.99Å; P36-F67 HydrophobicContact CG-CD1 4.04Å; P36-F67 HydrophobicContact CG-CD2 4.13Å; P36-F67 HydrophobicContact CG-CE1 4.16Å; P36-F67 HydrophobicContact CG-CE2 4.26Å; P36-F67 HydrophobicContact CG-CG 4.04Å; P36-F67 HydrophobicContact CG-CZ 4.28Å; P57-F67 HydrophobicContact CB-CB 4.07Å; P57-F67 HydrophobicContact CG-CB 4.35Å; P57-F67 HydrophobicContact CG-CD1 4.46Å; V58-F67 CarbonylContact O-C 3.55Å; V58-F67 VanDerWaalsContact O-CA 3.25Å; V58-F67 WeakPolarHBondContact O-CA 3.37Å; K59-F67 HydrophobicContact CB-CD1 3.91Å; K59-F67 HydrophobicContact CB-CE1 3.83Å; K59-F67 HydrophobicContact CD-CE1 4.43Å; K59-F67 HydrophobicContact CG-CD1 4.43Å; K59-F67 HydrophobicContact CG-CE1 4.15Å; K59-F67 HydrophobicContact CG-CZ 4.48Å; N65-F67 VanDerWaalsContact O-CD2 3.32Å; N65-F67 WeakPolarHBondContact O-CD2 3.43Å; N65-F67 WeakPolarHBondContact O-CE2 3.31Å
68K91.8Very high87.5Confident79 Ų7972.2 Ų72.234%0.34342%0.421SS..EExtended strand (participates in β ladder)trans-123.6138.8179.1175.8165175143.40109.4E25 L26 N27 V58 V70E25-K68 WeakPolarHBondContact OE1-CE 3.5Å; E25-K68 IonicContact OE1-NZ 3.82Å; E25-K68 PolarHBondContact OE1-NZ 2.91Å; E25-K68 WeakPolarHBondContact OE2-CE 3.32Å; E25-K68 IonicContact OE2-NZ 3.62Å; E25-K68 PolarHBondContact OE2-NZ 2.91Å; L26-K68 CarbonylContact O-C 3.53Å; L26-K68 WeakPolarHBondContact O-CA 2.98Å; N27-K68 WeakPolarHBondContact OD1-CD 3.46Å; N27-K68 VanDerWaalsContact OD1-CG 3.29Å; N27-K68 WeakPolarHBondContact OD1-CG 3.36Å; V58-K68 WeakPolarHBondContact CB-O 3.08Å; V58-K68 PolarHBondContact N-O 3.24Å; V58-K68 PolarHBondContact O-N 2.86Å; V58-K68 VanDerWaalsContact O-O 3.12Å; K68-V70 HydrophobicContact CD-CG2 4.33Å; K68-V70 HydrophobicContact CG-CG2 4.14Å
69Y93.5Very high87.9Confident64 Ų6467.6 Ų67.625%0.25139%0.393SS..EExtended strand (participates in β ladder)trans-130.2127.9169.3-171.3-99.3000108.6E25 L26 F55 E56 W71E25-Y69 CarbonylContact C-O 3.48Å; E25-Y69 WeakPolarHBondContact CA-O 3.15Å; L26-Y69 PolarHBondContact N-O 3.46Å; L26-Y69 PolarHBondContact O-N 2.81Å; F55-Y69 HydrophobicContact CB-CD1 4.35Å; F55-Y69 HydrophobicContact CB-CD2 4.33Å; F55-Y69 HydrophobicContact CB-CE1 3.84Å; F55-Y69 HydrophobicContact CB-CE2 3.83Å; F55-Y69 HydrophobicContact CD1-CE1 4.38Å; F55-Y69 AromaticContact CD2-CD1 3.53Å; F55-Y69 HydrophobicContact CD2-CD1 3.53Å; F55-Y69 AromaticContact CD2-CD2 3.84Å; F55-Y69 HydrophobicContact CD2-CD2 3.84Å; F55-Y69 AromaticContact CD2-CE1 3.91Å; F55-Y69 HydrophobicContact CD2-CE1 3.91Å; F55-Y69 HydrophobicContact CD2-CE2 4.2Å; F55-Y69 AromaticContact CD2-CG 3.5Å; F55-Y69 HydrophobicContact CD2-CG 3.5Å; F55-Y69 VanDerWaalsContact CD2-CG 3.5Å; F55-Y69 AromaticContact CE2-CD1 3.91Å; F55-Y69 HydrophobicContact CE2-CD1 3.91Å; F55-Y69 AromaticContact CE2-CG 3.95Å; F55-Y69 HydrophobicContact CE2-CG 3.95Å; F55-Y69 AromaticContact CG-CD1 3.89Å; F55-Y69 HydrophobicContact CG-CD1 3.89Å; F55-Y69 HydrophobicContact CG-CD2 4.42Å; F55-Y69 AromaticContact CG-CE1 3.78Å; F55-Y69 HydrophobicContact CG-CE1 3.78Å; F55-Y69 HydrophobicContact CG-CE2 4.34Å; F55-Y69 HydrophobicContact CG-CG 4.22Å; E56-Y69 WeakPolarHBondContact O-CD2 3.42Å; Y69-W71 AromaticContact CD1-CD2 3.82Å; Y69-W71 HydrophobicContact CD1-CD2 3.82Å; Y69-W71 AromaticContact CD1-CE3 3.71Å; Y69-W71 HydrophobicContact CD1-CE3 3.71Å; Y69-W71 HydrophobicContact CD1-CG 4.49Å; Y69-W71 HydrophobicContact CD1-CH2 4.12Å; Y69-W71 HydrophobicContact CD1-CZ2 4.19Å; Y69-W71 AromaticContact CD1-CZ3 3.88Å; Y69-W71 HydrophobicContact CD1-CZ3 3.88Å; Y69-W71 AromaticContact CE1-CD2 3.67Å; Y69-W71 HydrophobicContact CE1-CD2 3.67Å; Y69-W71 AromaticContact CE1-CE2 3.75Å; Y69-W71 HydrophobicContact CE1-CE3 4.07Å; Y69-W71 AromaticContact CE1-CG 3.96Å; Y69-W71 HydrophobicContact CE1-CG 3.96Å; Y69-W71 HydrophobicContact CE1-CZ2 4.23Å; Y69-W71 AromaticContact CE1-NE1 4Å
70V94Very high88.2Confident79 Ų7964.8 Ų64.848%0.47939%0.385SS..EExtended strand (participates in β ladder)trans-118.1127.2175.7-177.80000107E25 K68 S72E25-V70 HydrophobicContact CG-CG2 4.16Å; K68-V70 HydrophobicContact CD-CG2 4.33Å; K68-V70 HydrophobicContact CG-CG2 4.14Å; V70-S72 PolarHBondContact O-N 2.81Å
71W92.8Very high88.6Confident21 Ų2163.2 Ų63.28%0.0837%0.374CS..EExtended strand (participates in β ladder)trans-75.6118.5174.4-80-100.2000108.8L23 H24 L26 V41 F55 Y69 M73 E75L23-W71 HydrophobicContact CB-CD2 3.97Å; L23-W71 HydrophobicContact CB-CE3 4.07Å; L23-W71 HydrophobicContact CB-CH2 3.96Å; L23-W71 HydrophobicContact CB-CZ2 3.85Å; L23-W71 HydrophobicContact CB-CZ3 4.07Å; L23-W71 HydrophobicContact CD1-CH2 3.93Å; L23-W71 HydrophobicContact CD1-CZ2 3.55Å; L23-W71 HydrophobicContact CG-CZ2 4.36Å; H24-W71 PolarHBondContact O-N 2.92Å; L26-W71 HydrophobicContact CB-CH2 4.32Å; L26-W71 HydrophobicContact CB-CZ3 4.02Å; V41-W71 HydrophobicContact CG2-CH2 4.2Å; F55-W71 HydrophobicContact CD1-CH2 4.46Å; F55-W71 AromaticContact CD1-CZ2 3.84Å; F55-W71 HydrophobicContact CD1-CZ2 3.84Å; F55-W71 AromaticContact CE1-CH2 3.75Å; F55-W71 HydrophobicContact CE1-CH2 3.75Å; F55-W71 AromaticContact CE1-CZ2 3.44Å; F55-W71 HydrophobicContact CE1-CZ2 3.44Å; F55-W71 VanDerWaalsContact CE1-CZ2 3.44Å; F55-W71 HydrophobicContact CE2-CH2 4.33Å; F55-W71 AromaticContact CZ-CH2 3.68Å; F55-W71 HydrophobicContact CZ-CH2 3.68Å; F55-W71 AromaticContact CZ-CZ2 3.88Å; F55-W71 HydrophobicContact CZ-CZ2 3.88Å; Y69-W71 AromaticContact CD1-CD2 3.82Å; Y69-W71 HydrophobicContact CD1-CD2 3.82Å; Y69-W71 AromaticContact CD1-CE3 3.71Å; Y69-W71 HydrophobicContact CD1-CE3 3.71Å; Y69-W71 HydrophobicContact CD1-CG 4.49Å; Y69-W71 HydrophobicContact CD1-CH2 4.12Å; Y69-W71 HydrophobicContact CD1-CZ2 4.19Å; Y69-W71 AromaticContact CD1-CZ3 3.88Å; Y69-W71 HydrophobicContact CD1-CZ3 3.88Å; Y69-W71 AromaticContact CE1-CD2 3.67Å; Y69-W71 HydrophobicContact CE1-CD2 3.67Å; Y69-W71 AromaticContact CE1-CE2 3.75Å; Y69-W71 HydrophobicContact CE1-CE3 4.07Å; Y69-W71 AromaticContact CE1-CG 3.96Å; Y69-W71 HydrophobicContact CE1-CG 3.96Å; Y69-W71 HydrophobicContact CE1-CZ2 4.23Å; Y69-W71 AromaticContact CE1-NE1 4Å; W71-M73 PolarHBondContact O-N 2.84Å; W71-E75 VanDerWaalsContact CD1-CB 3.44Å; W71-E75 HydrophobicContact CG-CB 4.38Å; W71-E75 VanDerWaalsContact NE1-CB 3.31Å; W71-E75 PolarHBondContact NE1-OE2 3.16Å
72S89.1Confident89.5Confident128 Ų12857.8 Ų57.890%0.89534%0.335SS*.EExtended strand (participates in β ladder)trans-66.9-23177.753.50000113.4V70V70-S72 PolarHBondContact O-N 2.81Å
73M91.5Very high90.5Very high149 Ų14954.4 Ų54.473%0.73430%0.3SS*.EExtended strand (participates in β ladder)trans-135.9125163.5179.759.862.500106.5W71 E75W71-M73 PolarHBondContact O-N 2.84Å; M73-E75 PolarHBondContact O-N 2.96Å
74P92.3Very high91.6Very high46 Ų4650.3 Ų50.330%0.29928%0.276SS..EExtended strand (participates in β ladder)trans-57.6133.8-172.3-28.536.7000113.2L23 H24 N76L23-P74 VanDerWaalsContact O-CA 3.22Å; L23-P74 WeakPolarHBondContact O-CA 3.06Å; L23-P74 WeakPolarHBondContact O-CB 3.25Å; H24-P74 VanDerWaalsContact ND1-CG 3.29Å; H24-P74 WeakPolarHBondContact ND1-CG 3.34Å; P74-N76 PolarHBondContact O-N 2.85Å
75E94.2Very high92.5Very high28 Ų2848.5 Ų48.513%0.13126%0.256CS..EExtended strand (participates in β ladder)trans-87.6113.6-177.3-177.4169.8-169.500111.3A21 S22 L23 K53 W71 M73A21-E75 VanDerWaalsContact O-O 3.12Å; S22-E75 WeakPolarHBondContact CA-O 3.41Å; L23-E75 HydrophobicContact CB-CB 4.44Å; L23-E75 PolarHBondContact N-O 3.43Å; L23-E75 PolarHBondContact O-N 3.15Å; K53-E75 WeakPolarHBondContact CB-OE1 3.37Å; K53-E75 WeakPolarHBondContact CD-OE1 3.37Å; K53-E75 VanDerWaalsContact CG-OE1 3.23Å; K53-E75 WeakPolarHBondContact CG-OE1 3.47Å; K53-E75 PolarHBondContact N-OE1 2.87Å; W71-E75 VanDerWaalsContact CD1-CB 3.44Å; W71-E75 HydrophobicContact CG-CB 4.38Å; W71-E75 VanDerWaalsContact NE1-CB 3.31Å; W71-E75 PolarHBondContact NE1-OE2 3.16Å; M73-E75 PolarHBondContact O-N 2.96Å
76N96.2Very high92.5Very high93 Ų9350.9 Ų50.950%0.49727%0.269SS..EExtended strand (participates in β ladder)trans-82.7114.2-179.9-69.5-17.9000111.6T20 S22 P74T20-N76 HydrophobicContact CG2-CB 3.8Å; S22-N76 VanDerWaalsContact CB-OD1 3.29Å; S22-N76 WeakPolarHBondContact CB-OD1 3.29Å; S22-N76 PolarHBondContact OG-OD1 2.9Å; P74-N76 PolarHBondContact O-N 2.85Å
77I96.3Very high92.1Very high9 Ų955.4 Ų55.45%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-101.2112.7168.5-58.3176.1000108.6A21 L23 W43A21-I77 HydrophobicContact CB-CB 4.5Å; A21-I77 PolarHBondContact N-O 3.5Å; A21-I77 PolarHBondContact O-N 2.95Å; L23-I77 HydrophobicContact CD1-CD1 3.83Å; L23-I77 HydrophobicContact CG-CD1 4.39Å; W43-I77 HydrophobicContact CB-CG2 4.49Å
78E95.2Very high91.5Very high88 Ų8863.5 Ų63.541%0.41132%0.322SS..EExtended strand (participates in β ladder)trans-103.5137.9-176.4-53.2-145.715400113.3Q18 I19 T20 Y50Q18-E78 PolarHBondContact NE2-OE2 3.35Å; I19-E78 CarbonylContact O-C 3.57Å; I19-E78 WeakPolarHBondContact O-CA 3.4Å; T20-E78 HydrophobicContact CG2-CG 3.98Å; T20-E78 VanDerWaalsContact CG2-OE1 3.28Å; T20-E78 WeakPolarHBondContact CG2-OE1 3.44Å; T20-E78 PolarHBondContact OG1-OE1 3.46Å; Y50-E78 WeakPolarHBondContact CD1-O 3.49Å
79F94.4Very high91.1Very high4 Ų461.4 Ų61.42%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-151.5143.3174.355.6-97.4000113.7I19 W43 Y50 W97 I131I19-F79 HydrophobicContact CB-CD2 3.92Å; I19-F79 HydrophobicContact CB-CE2 3.59Å; I19-F79 HydrophobicContact CB-CZ 3.95Å; I19-F79 HydrophobicContact CG1-CD2 4.27Å; I19-F79 HydrophobicContact CG1-CE2 3.88Å; I19-F79 HydrophobicContact CG2-CE1 4.3Å; I19-F79 HydrophobicContact CG2-CE2 3.8Å; I19-F79 HydrophobicContact CG2-CZ 3.66Å; I19-F79 PolarHBondContact N-O 3.35Å; I19-F79 PolarHBondContact O-N 3.01Å; W43-F79 HydrophobicContact CB-CD1 4.24Å; W43-F79 HydrophobicContact CB-CE1 3.93Å; W43-F79 AromaticContact CD2-CE1 3.71Å; W43-F79 HydrophobicContact CD2-CE1 3.71Å; W43-F79 HydrophobicContact CD2-CZ 4.08Å; W43-F79 AromaticContact CE3-CE1 3.82Å; W43-F79 HydrophobicContact CE3-CE1 3.82Å; W43-F79 AromaticContact CE3-CZ 3.69Å; W43-F79 HydrophobicContact CE3-CZ 3.69Å; W43-F79 HydrophobicContact CG-CD1 4.47Å; W43-F79 AromaticContact CG-CE1 3.78Å; W43-F79 HydrophobicContact CG-CE1 3.78Å; W43-F79 HydrophobicContact CZ3-CZ 4.09Å; Y50-F79 HydrophobicContact CD1-CB 4.13Å; Y50-F79 HydrophobicContact CD2-CB 3.85Å; Y50-F79 HydrophobicContact CD2-CG 4.47Å; Y50-F79 HydrophobicContact CE1-CB 3.92Å; Y50-F79 HydrophobicContact CE2-CB 3.62Å; Y50-F79 HydrophobicContact CG-CB 4.11Å; F79-W97 HydrophobicContact CB-CH2 3.8Å; F79-W97 HydrophobicContact CB-CZ2 4.47Å; F79-W97 HydrophobicContact CB-CZ3 4.37Å; F79-W97 HydrophobicContact CD1-CH2 4.47Å; F79-W97 HydrophobicContact CD1-CZ3 4.44Å; F79-W97 HydrophobicContact CD2-CD2 4.3Å; F79-W97 AromaticContact CD2-CE2 3.76Å; F79-W97 HydrophobicContact CD2-CE3 4.34Å; F79-W97 AromaticContact CD2-CH2 3.28Å; F79-W97 HydrophobicContact CD2-CH2 3.28Å; F79-W97 AromaticContact CD2-CZ2 3.2Å; F79-W97 HydrophobicContact CD2-CZ2 3.2Å; F79-W97 AromaticContact CD2-CZ3 3.89Å; F79-W97 HydrophobicContact CD2-CZ3 3.89Å; F79-W97 AromaticContact CE2-CD2 3.91Å; F79-W97 HydrophobicContact CE2-CD2 3.91Å; F79-W97 AromaticContact CE2-CE2 3.58Å; F79-W97 HydrophobicContact CE2-CE3 4.22Å; F79-W97 HydrophobicContact CE2-CG 4.49Å; F79-W97 AromaticContact CE2-CH2 3.91Å; F79-W97 HydrophobicContact CE2-CH2 3.91Å; F79-W97 AromaticContact CE2-CZ2 3.56Å; F79-W97 HydrophobicContact CE2-CZ2 3.56Å; F79-W97 HydrophobicContact CE2-CZ3 4.23Å; F79-W97 AromaticContact CG-CH2 3.6Å; F79-W97 HydrophobicContact CG-CH2 3.6Å; F79-W97 HydrophobicContact CG-CZ2 4.03Å; F79-W97 AromaticContact CG-CZ3 3.98Å; F79-W97 HydrophobicContact CG-CZ3 3.98Å; F79-W97 HydrophobicContact CZ-CD2 4.36Å; F79-W97 HydrophobicContact CZ-CE3 4.46Å; F79-I131 HydrophobicContact CE2-CD1 4.41Å; F79-I131 HydrophobicContact CE2-CG1 4.43Å; F79-I131 HydrophobicContact CZ-CD1 4.27Å
80V93.2Very high90.5Very high49 Ų4962.2 Ų62.230%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-96.9138.9-178.8-178.60000111.8K16 F17 R48K16-V80 HydrophobicContact CD-CG1 4.3Å; K16-V80 HydrophobicContact CG-CG1 3.66Å; F17-V80 CarbonylContact O-C 3.52Å; F17-V80 VanDerWaalsContact O-CA 3.32Å; F17-V80 WeakPolarHBondContact O-CA 3.45Å; R48-V80 PolarHBondContact NH1-O 3.01Å
81T92Very high90.1Very high1 Ų164.5 Ų64.51%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-148111.6-168.8-169.40000113.3F17 I19 L83 K95 I131F17-T81 HydrophobicContact CB-CG2 3.99Å; F17-T81 PolarHBondContact N-O 3.21Å; F17-T81 PolarHBondContact O-N 3.12Å; I19-T81 HydrophobicContact CD1-CG2 4.17Å; I19-T81 HydrophobicContact CG1-CG2 3.54Å; T81-L83 PolarHBondContact O-N 2.85Å; T81-K95 VanDerWaalsContact OG1-CE 3.24Å; T81-K95 WeakPolarHBondContact OG1-CE 3.16Å; T81-K95 PolarHBondContact OG1-NZ 3.22Å; T81-I131 HydrophobicContact CG2-CG2 4.07Å
82T92.1Very high90Very high23 Ų2364.6 Ų64.614%0.14133%0.334CS..EExtended strand (participates in β ladder)trans-81.3107.4173.8-41.40000112.4A14 A15 Y84 K95 D178A14-T82 HydrophobicContact CB-CG2 3.99Å; A15-T82 CarbonylContact O-C 3.47Å; A15-T82 VanDerWaalsContact O-CA 3.31Å; A15-T82 WeakPolarHBondContact O-CA 3.49Å; T82-Y84 HydrophobicContact CG2-CE1 4.22Å; T82-K95 VanDerWaalsContact C-NZ 3.28Å; T82-K95 PolarHBondContact O-NZ 3.48Å; T82-D178 HydrophobicContact CG2-CB 4.05Å; T82-D178 WeakPolarHBondContact CG2-OD1 3.41Å
83L92.6Very high90.1Very high1 Ų161.6 Ų61.61%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-84.5160.1168.6-75.5166.3000110A14 A15 F17 T81 F92 E93 K95 A132 V135A14-L83 WeakPolarHBondContact CA-O 3.4Å; A15-L83 PolarHBondContact N-O 3.37Å; A15-L83 PolarHBondContact O-N 3.34Å; F17-L83 HydrophobicContact CD2-CB 4.24Å; F17-L83 HydrophobicContact CD2-CD1 3.75Å; F17-L83 HydrophobicContact CD2-CG 4.27Å; F17-L83 HydrophobicContact CE2-CB 4.12Å; F17-L83 HydrophobicContact CE2-CD1 3.82Å; F17-L83 HydrophobicContact CE2-CG 4.45Å; T81-L83 PolarHBondContact O-N 2.85Å; L83-F92 HydrophobicContact CB-CB 3.99Å; L83-F92 HydrophobicContact CB-CD1 3.61Å; L83-F92 HydrophobicContact CB-CE1 4.3Å; L83-F92 HydrophobicContact CB-CG 3.88Å; L83-F92 HydrophobicContact CD1-CB 4.12Å; L83-F92 HydrophobicContact CD1-CD2 4.45Å; L83-F92 HydrophobicContact CD1-CG 4.17Å; L83-F92 HydrophobicContact CD2-CB 4.19Å; L83-F92 HydrophobicContact CG-CB 4.35Å; L83-E93 WeakPolarHBondContact CD2-O 3.26Å; L83-K95 HydrophobicContact CD2-CB 3.4Å; L83-K95 HydrophobicContact CD2-CD 3.48Å; L83-K95 VanDerWaalsContact CD2-CD 3.48Å; L83-K95 HydrophobicContact CD2-CG 4.02Å; L83-K95 HydrophobicContact CG-CD 4.07Å; L83-A132 HydrophobicContact CD2-CB 4.23Å; L83-V135 HydrophobicContact CD1-CB 4.16Å; L83-V135 HydrophobicContact CD1-CG1 3.72Å; L83-V135 HydrophobicContact CD1-CG2 3.42Å; L83-V135 VanDerWaalsContact CD1-CG2 3.42Å
84Y90.9Very high90.1Very high27 Ų2762.1 Ų62.111%0.10631%0.307CS..EExtended strand (participates in β ladder)trans-126.8150.2175.1-50.6-83.5000109.3R9 K13 A14 T82 F92 E93 A174 D178R9-Y84 PolarHBondContact NE-OH 3.17Å; K13-Y84 CarbonylContact O-C 3.52Å; K13-Y84 VanDerWaalsContact O-CA 3.25Å; K13-Y84 WeakPolarHBondContact O-CA 3.48Å; A14-Y84 HydrophobicContact CB-CD1 3.85Å; A14-Y84 HydrophobicContact CB-CE1 4Å; T82-Y84 HydrophobicContact CG2-CE1 4.22Å; Y84-F92 CarbonylContact O-C 3.58Å; Y84-F92 WeakPolarHBondContact O-CA 3.2Å; Y84-E93 PolarHBondContact O-N 3.37Å; Y84-A174 HydrophobicContact CD1-CB 4.19Å; Y84-A174 HydrophobicContact CE1-CB 4.32Å; Y84-D178 PolarHBondContact OH-O 3.49Å
85R90.8Very high90.1Very high44 Ų4461 Ų6117%0.16630%0.297CS..EExtended strand (participates in β ladder)trans-138.4150.7167.359.8-169179.4-178.3-6.2110.1K12 K13 A89 I90 Q91 F92 D137K12-R85 WeakPolarHBondContact CA-O 3.49Å; K12-R85 WeakPolarHBondContact CB-O 3.38Å; K13-R85 HydrophobicContact CB-CG 4.24Å; K13-R85 PolarHBondContact N-O 2.63Å; K13-R85 PolarHBondContact O-N 3.03Å; R85-A89 VanDerWaalsContact CD-O 3.29Å; R85-A89 WeakPolarHBondContact CD-O 3.36Å; R85-I90 WeakPolarHBondContact CD-O 3.32Å; R85-I90 PolarHBondContact NH1-O 2.84Å; R85-Q91 VanDerWaalsContact CB-O 3.27Å; R85-Q91 WeakPolarHBondContact CB-O 3.2Å; R85-F92 HydrophobicContact CB-CD1 3.93Å; R85-F92 HydrophobicContact CB-CE1 4.3Å; R85-F92 VanDerWaalsContact CD-CE1 3.5Å; R85-F92 HydrophobicContact CG-CD1 4Å; R85-F92 HydrophobicContact CG-CE1 3.84Å; R85-D137 IonicContact CZ-OD1 2.86Å; R85-D137 IonicContact CZ-OD2 2.75Å; R85-D137 VanDerWaalsContact CZ-OD2 3.23Å; R85-D137 IonicContact NH1-OD1 3.98Å; R85-D137 IonicContact NH1-OD2 2.83Å; R85-D137 PolarHBondContact NH1-OD2 2.95Å; R85-D137 IonicContact NH2-OD1 3.17Å; R85-D137 PolarHBondContact NH2-OD1 3.29Å; R85-D137 IonicContact NH2-OD2 2.71Å; R85-D137 PolarHBondContact NH2-OD2 3.2Å
86N87Confident90.1Very high88 Ų8864.3 Ų64.347%0.47131%0.313SS..EExtended strand (participates in β ladder)trans-62.3149167.7-63.3-19.8000108.3K12 K88 A89K12-N86 VanDerWaalsContact CE-OD1 3.22Å; K12-N86 WeakPolarHBondContact CE-OD1 3.3Å; N86-K88 PolarHBondContact O-N 2.92Å; N86-K88 VanDerWaalsContact O-N 3.08Å; N86-A89 HydrophobicContact CB-CB 3.97Å; N86-A89 PolarHBondContact O-N 2.87Å
87E81.5Confident90.1Very high122 Ų12259.9 Ų59.957%0.5729%0.289SS*.THydrogen-bonded Turntrans-50.9-39.4-176.1175.1172-134.100114.3K13K13-E87 IonicContact NZ-OE1 2.58Å
88K80.3Confident90.1Very high190 Ų19062.4 Ų62.483%0.82630%0.302SS*.THydrogen-bonded Turntrans-93.53.6-178.7-54.4-173.4-179.8-174.80114N86N86-K88 PolarHBondContact O-N 2.92Å; N86-K88 VanDerWaalsContact O-N 3.08Å
89A82.2Confident90.2Very high36 Ų3658.2 Ų58.230%0.29828%0.282SS..  trans-101128.8178.700000110R85 N86R85-A89 VanDerWaalsContact CD-O 3.29Å; R85-A89 WeakPolarHBondContact CD-O 3.36Å; N86-A89 HydrophobicContact CB-CB 3.97Å; N86-A89 PolarHBondContact O-N 2.87Å
90I81.9Confident90.2Very high81 Ų8158.9 Ų58.942%0.41529%0.286SS..SBendtrans-71.5-44173.7-60.2178.5000110.1R85 L413 T417R85-I90 WeakPolarHBondContact CD-O 3.32Å; R85-I90 PolarHBondContact NH1-O 2.84Å; I90-L413 HydrophobicContact CD1-CD1 3.94Å; I90-L413 HydrophobicContact CD1-CD2 4.01Å; I90-L413 HydrophobicContact CD1-CG 3.79Å; I90-L413 HydrophobicContact CG1-CD2 4.22Å; I90-T417 WeakPolarHBondContact CD1-OG1 3.42Å
91Q85.2Confident90.4Very high127 Ų12756.6 Ų56.659%0.59327%0.272SS*.SBendtrans-74.8146-177.8-67.8174.7-10.400112.6R85R85-Q91 VanDerWaalsContact CB-O 3.27Å; R85-Q91 WeakPolarHBondContact CB-O 3.2Å
92F91.2Very high90.5Very high22 Ų2256.9 Ų56.910%0.09627%0.273CS..PPolyproline II helixtrans-84.4154.2175-67.8-78.7000112.8A15 F17 L83 Y84 R85 A132 V135A15-F92 HydrophobicContact CB-CE1 3.52Å; A15-F92 HydrophobicContact CB-CZ 3.68Å; F17-F92 HydrophobicContact CE2-CD2 4.45Å; F17-F92 HydrophobicContact CE2-CE1 4.21Å; F17-F92 AromaticContact CE2-CE2 3.98Å; F17-F92 HydrophobicContact CE2-CE2 3.98Å; F17-F92 AromaticContact CE2-CZ 3.85Å; F17-F92 HydrophobicContact CE2-CZ 3.85Å; F17-F92 AromaticContact CZ-CE2 3.76Å; F17-F92 HydrophobicContact CZ-CE2 3.76Å; F17-F92 AromaticContact CZ-CZ 3.76Å; F17-F92 HydrophobicContact CZ-CZ 3.76Å; L83-F92 HydrophobicContact CB-CB 3.99Å; L83-F92 HydrophobicContact CB-CD1 3.61Å; L83-F92 HydrophobicContact CB-CE1 4.3Å; L83-F92 HydrophobicContact CB-CG 3.88Å; L83-F92 HydrophobicContact CD1-CB 4.12Å; L83-F92 HydrophobicContact CD1-CD2 4.45Å; L83-F92 HydrophobicContact CD1-CG 4.17Å; L83-F92 HydrophobicContact CD2-CB 4.19Å; L83-F92 HydrophobicContact CG-CB 4.35Å; Y84-F92 CarbonylContact O-C 3.58Å; Y84-F92 WeakPolarHBondContact O-CA 3.2Å; R85-F92 HydrophobicContact CB-CD1 3.93Å; R85-F92 HydrophobicContact CB-CE1 4.3Å; R85-F92 VanDerWaalsContact CD-CE1 3.5Å; R85-F92 HydrophobicContact CG-CD1 4Å; R85-F92 HydrophobicContact CG-CE1 3.84Å; F92-A132 HydrophobicContact CB-CB 4.4Å; F92-V135 HydrophobicContact CD2-CG2 3.59Å; F92-V135 HydrophobicContact CE2-CG2 4.07Å; F92-V135 HydrophobicContact CG-CG2 4.4Å
93E91.2Very high90.5Very high65 Ų6556.6 Ų56.630%0.30427%0.271SS..PPolyproline II helixtrans-61.1136.3172.7-71-173.8159.700111.7K12 L83 Y84 K95K12-E93 IonicContact NZ-OE1 3.33Å; K12-E93 PolarHBondContact NZ-OE1 2.89Å; L83-E93 WeakPolarHBondContact CD2-O 3.26Å; Y84-E93 PolarHBondContact O-N 3.37Å; E93-K95 PolarHBondContact O-N 3.3Å
94E91.7Very high90.3Very high160 Ų16058 Ų5875%0.74828%0.279SS*.PPolyproline II helixtrans-48.9129.8176.8-65.2176.2-17600112.5D130E94-D130 WeakPolarHBondContact CA-OD2 3.12Å; E94-D130 VanDerWaalsContact CB-OD2 3.23Å; E94-D130 WeakPolarHBondContact CB-OD2 3.13Å
95K92.4Very high89.5Confident22 Ų2257.3 Ų57.310%0.09628%0.28CS..  trans-14557.6-171-156.6-177.1175.1179.80113.1R45 T81 T82 L83 E93 W97 D130R45-K95 VanDerWaalsContact NH1-CE 3.28Å; R45-K95 VanDerWaalsContact NH2-CG 3.28Å; T81-K95 VanDerWaalsContact OG1-CE 3.24Å; T81-K95 WeakPolarHBondContact OG1-CE 3.16Å; T81-K95 PolarHBondContact OG1-NZ 3.22Å; T82-K95 VanDerWaalsContact C-NZ 3.28Å; T82-K95 PolarHBondContact O-NZ 3.48Å; L83-K95 HydrophobicContact CD2-CB 3.4Å; L83-K95 HydrophobicContact CD2-CD 3.48Å; L83-K95 VanDerWaalsContact CD2-CD 3.48Å; L83-K95 HydrophobicContact CD2-CG 4.02Å; L83-K95 HydrophobicContact CG-CD 4.07Å; E93-K95 PolarHBondContact O-N 3.3Å; K95-W97 VanDerWaalsContact O-CD1 3.29Å; K95-W97 PolarHBondContact O-N 2.74Å; K95-D130 VanDerWaalsContact CA-OD1 3.32Å; K95-D130 WeakPolarHBondContact CA-OD1 3.19Å; K95-D130 VanDerWaalsContact N-CG 3.26Å; K95-D130 PolarHBondContact N-OD1 3.36Å; K95-D130 PolarHBondContact N-OD2 3.41Å; K95-D130 VanDerWaalsContact N-OD2 3.1Å
96E94.2Very high88.3Confident99 Ų9957.6 Ų57.646%0.46329%0.289SS..EExtended strand (participates in β ladder)trans-37.2127.4171.2-64.3-165.2143.300114.2R45 Q128 I129 D130R45-E96 WeakPolarHBondContact CD-O 3.38Å; R45-E96 PolarHBondContact NE-O 3.25Å; E96-Q128 PolarHBondContact OE1-NE2 2.82Å; E96-Q128 PolarHBondContact OE2-NE2 3Å; E96-I129 WeakPolarHBondContact CA-O 3.47Å; E96-D130 PolarHBondContact N-OD1 3.34Å
97W95.8Very high86.9Confident0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-111.6160.1158-75.473.7000109.5W43 R45 Y50 F79 K95 Q128 I129 I131W43-W97 HydrophobicContact CE3-CB 4.14Å; W43-W97 HydrophobicContact CZ3-CB 4.25Å; R45-W97 HydrophobicContact CB-CD2 3.57Å; R45-W97 HydrophobicContact CB-CE3 3.46Å; R45-W97 VanDerWaalsContact CB-CE3 3.46Å; R45-W97 HydrophobicContact CB-CG 4.08Å; R45-W97 HydrophobicContact CB-CH2 4.44Å; R45-W97 HydrophobicContact CB-CZ3 3.91Å; R45-W97 HydrophobicContact CG-CD2 4.29Å; R45-W97 HydrophobicContact CG-CG 4.46Å; Y50-W97 HydrophobicContact CD2-CH2 4.29Å; Y50-W97 AromaticContact CD2-CZ3 3.91Å; Y50-W97 HydrophobicContact CD2-CZ3 3.91Å; Y50-W97 AromaticContact CE2-CH2 3.82Å; Y50-W97 HydrophobicContact CE2-CH2 3.82Å; Y50-W97 AromaticContact CE2-CZ3 3.85Å; Y50-W97 HydrophobicContact CE2-CZ3 3.85Å; F79-W97 HydrophobicContact CB-CH2 3.8Å; F79-W97 HydrophobicContact CB-CZ2 4.47Å; F79-W97 HydrophobicContact CB-CZ3 4.37Å; F79-W97 HydrophobicContact CD1-CH2 4.47Å; F79-W97 HydrophobicContact CD1-CZ3 4.44Å; F79-W97 HydrophobicContact CD2-CD2 4.3Å; F79-W97 AromaticContact CD2-CE2 3.76Å; F79-W97 HydrophobicContact CD2-CE3 4.34Å; F79-W97 AromaticContact CD2-CH2 3.28Å; F79-W97 HydrophobicContact CD2-CH2 3.28Å; F79-W97 AromaticContact CD2-CZ2 3.2Å; F79-W97 HydrophobicContact CD2-CZ2 3.2Å; F79-W97 AromaticContact CD2-CZ3 3.89Å; F79-W97 HydrophobicContact CD2-CZ3 3.89Å; F79-W97 AromaticContact CE2-CD2 3.91Å; F79-W97 HydrophobicContact CE2-CD2 3.91Å; F79-W97 AromaticContact CE2-CE2 3.58Å; F79-W97 HydrophobicContact CE2-CE3 4.22Å; F79-W97 HydrophobicContact CE2-CG 4.49Å; F79-W97 AromaticContact CE2-CH2 3.91Å; F79-W97 HydrophobicContact CE2-CH2 3.91Å; F79-W97 AromaticContact CE2-CZ2 3.56Å; F79-W97 HydrophobicContact CE2-CZ2 3.56Å; F79-W97 HydrophobicContact CE2-CZ3 4.23Å; F79-W97 AromaticContact CG-CH2 3.6Å; F79-W97 HydrophobicContact CG-CH2 3.6Å; F79-W97 HydrophobicContact CG-CZ2 4.03Å; F79-W97 AromaticContact CG-CZ3 3.98Å; F79-W97 HydrophobicContact CG-CZ3 3.98Å; F79-W97 HydrophobicContact CZ-CD2 4.36Å; F79-W97 HydrophobicContact CZ-CE3 4.46Å; K95-W97 VanDerWaalsContact O-CD1 3.29Å; K95-W97 PolarHBondContact O-N 2.74Å; W97-Q128 WeakPolarHBondContact O-CA 3.2Å; W97-I129 PolarHBondContact N-O 3.1Å; W97-I129 PolarHBondContact O-N 2.93Å; W97-I131 HydrophobicContact CB-CG1 4.4Å; W97-I131 HydrophobicContact CG-CG1 4Å
98I96.6Very high85.4Confident61 Ų6159.8 Ų59.831%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-109.1114.5175.4-55.9172000108.3W43 S44 Q100 R127 Q128W43-I98 CarbonylContact C-O 3.54Å; S44-I98 PolarHBondContact N-O 2.84Å; S44-I98 PolarHBondContact O-N 2.94Å; S44-I98 PolarHBondContact OG-O 3.24Å; I98-Q100 HydrophobicContact CG2-CB 4.21Å; I98-Q100 HydrophobicContact CG2-CG 4.43Å; I98-R127 WeakPolarHBondContact CA-O 3.4Å; I98-Q128 HydrophobicContact CG1-CG 4.42Å
99C96.8Very high83.9Confident0 Ų053.8 Ų53.80%029%0.286CS..EExtended strand (participates in β ladder)trans-89.4130.1161.8-1770000107.9V42 W43 T126 R127 I129 M148V42-C99 WeakPolarHBondContact O-CA 3.48Å; W43-C99 HydrophobicContact CD2-CB 4.16Å; W43-C99 HydrophobicContact CE3-CB 4.25Å; W43-C99 HydrophobicContact CH2-CB 4.3Å; W43-C99 HydrophobicContact CZ2-CB 4.19Å; W43-C99 HydrophobicContact CZ3-CB 4.31Å; C99-T126 CarbonylContact O-C 3.53Å; C99-T126 WeakPolarHBondContact O-CA 3.45Å; C99-R127 PolarHBondContact N-O 2.79Å; C99-R127 PolarHBondContact O-N 3.24Å; C99-I129 HydrophobicContact CB-CD1 3.8Å; C99-M148 HydrophobicContact CB-CE 4.49Å
100Q95.9Very high82.2Confident19 Ų1953.2 Ų53.29%0.08928%0.284CS..EExtended strand (participates in β ladder)trans-147.9148.4-176.962.8-174.938.900113.4V41 V42 I98 E102 V123 A125 T126V41-Q100 CarbonylContact C-O 3.54Å; V42-Q100 HydrophobicContact CB-CG 4.06Å; V42-Q100 PolarHBondContact N-O 2.75Å; V42-Q100 PolarHBondContact O-N 2.66Å; I98-Q100 HydrophobicContact CG2-CB 4.21Å; I98-Q100 HydrophobicContact CG2-CG 4.43Å; Q100-E102 PolarHBondContact NE2-OE1 3.41Å; Q100-V123 HydrophobicContact CB-CG1 4.14Å; Q100-A125 CarbonylContact C-O 3.5Å; Q100-A125 VanDerWaalsContact CA-O 3.3Å; Q100-A125 WeakPolarHBondContact CA-O 3.37Å; Q100-A125 WeakPolarHBondContact CB-O 3.45Å; Q100-T126 HydrophobicContact CB-CG2 3.78Å
101I95.9Very high80.7Confident0 Ų056.3 Ų56.30%030%0.301CS..EExtended strand (participates in β ladder)trans-97.2124.8177.4-57.6164000108L26 I28 L39 L124 A125 M148 A158 V160L26-I101 HydrophobicContact CD1-CD1 3.47Å; L26-I101 VanDerWaalsContact CD1-CD1 3.47Å; L26-I101 HydrophobicContact CD1-CG1 4.3Å; I28-I101 HydrophobicContact CG2-CD1 4.24Å; L39-I101 HydrophobicContact CD1-CG2 4.34Å; I101-L124 HydrophobicContact CG2-CD1 4.33Å; I101-L124 PolarHBondContact O-N 2.86Å; I101-A125 HydrophobicContact CD1-CB 4.41Å; I101-A125 PolarHBondContact N-O 2.91Å; I101-M148 HydrophobicContact CD1-CG 4.28Å; I101-A158 HydrophobicContact CD1-CB 4.16Å; I101-V160 HydrophobicContact CD1-CG2 4.35Å
102E94.8Very high79.3Confident8 Ų858.6 Ų58.64%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-114.7128.6177-74.7178.4-154.200111.5L39 V40 V42 R49 Q100 R122 V123L39-E102 WeakPolarHBondContact CA-O 3.38Å; V40-E102 PolarHBondContact N-O 3.47Å; V40-E102 PolarHBondContact O-N 2.94Å; V42-E102 HydrophobicContact CG2-CB 4.49Å; V42-E102 HydrophobicContact CG2-CG 4.27Å; R49-E102 IonicContact CZ-OE1 2.84Å; R49-E102 VanDerWaalsContact CZ-OE1 3.27Å; R49-E102 IonicContact CZ-OE2 2.75Å; R49-E102 IonicContact NH1-OE1 3.52Å; R49-E102 PolarHBondContact NH1-OE1 3.15Å; R49-E102 IonicContact NH2-OE1 2.79Å; R49-E102 PolarHBondContact NH2-OE1 3.03Å; R49-E102 IonicContact NH2-OE2 3.46Å; R49-E102 PolarHBondContact NH2-OE2 2.97Å; Q100-E102 PolarHBondContact NE2-OE1 3.41Å; E102-R122 CarbonylContact C-O 3.56Å; E102-R122 WeakPolarHBondContact CA-O 3.34Å; E102-V123 HydrophobicContact CG-CG2 4Å
103D92.7Very high77.2Confident16 Ų1660.2 Ų60.29%0.08633%0.33CS..EExtended strand (participates in β ladder)trans-78.4114.1165.4-175.93.3000108.7Y34 L39 G105 R121 R122 L124Y34-D103 PolarHBondContact OH-OD2 3.37Å; L39-D103 HydrophobicContact CD2-CB 4.22Å; D103-G105 WeakPolarHBondContact OD1-CA 3.44Å; D103-G105 PolarHBondContact OD1-N 2.78Å; D103-R121 WeakPolarHBondContact O-CA 3.44Å; D103-R122 HydrophobicContact CB-CB 4.42Å; D103-R122 PolarHBondContact N-O 2.96Å; D103-R122 PolarHBondContact O-N 3.45Å; D103-L124 HydrophobicContact CB-CD1 4.06Å; D103-L124 HydrophobicContact CB-CD2 3.94Å; D103-L124 HydrophobicContact CB-CG 3.96Å
104V87.6Confident75.1Confident30 Ų3061.8 Ų61.818%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-98.7-3.2175.8-167.60000110.6N38 V40 V119 R121N38-V104 PolarHBondContact O-N 2.85Å; V40-V104 HydrophobicContact CB-CG2 4.09Å; V40-V104 HydrophobicContact CG2-CG2 3.68Å; V104-V119 WeakPolarHBondContact O-CG1 3.47Å; V104-R121 HydrophobicContact CG1-CG 4.23Å; V104-R121 HydrophobicContact CG2-CG 4.24Å
105G75.1Confident72.9Confident13 Ų1358 Ų5813%0.13435%0.354CS..EExtended strand (participates in β ladder)trans66.2179.217800000114.7N38 D103N38-G105 VanDerWaalsContact CB-O 3.31Å; N38-G105 WeakPolarHBondContact CB-O 3.49Å; N38-G105 PolarHBondContact N-O 3.49Å; N38-G105 PolarHBondContact ND2-O 2.93Å; D103-G105 WeakPolarHBondContact OD1-CA 3.44Å; D103-G105 PolarHBondContact OD1-N 2.78Å
106S65.1Low70.7Confident50 Ų5062.8 Ų62.835%0.3539%0.386SS..  trans-85.9137.3179.8-167.60000112.5T108 A109S106-T108 PolarHBondContact O-N 2.84Å; S106-T108 PolarHBondContact OG-OG1 2.81Å; S106-A109 PolarHBondContact O-N 2.91Å
107K56.4Low68.3Low160 Ų16062.7 Ų62.770%0.69639%0.394SS*.G310 helixtrans-62.5-29.2-179.6-65.1177-178.4173.10112.4A109 G110K107-A109 VanDerWaalsContact C-N 3.29Å; K107-A109 PolarHBondContact O-N 3.31Å; K107-G110 PolarHBondContact O-N 2.82Å
108T50.3Low65.8Low97 Ų9767.9 Ų67.960%0.59543%0.43SS*.G310 helixtrans-68.7-21.3-177.945.90000114.2S106 G110 L111S106-T108 PolarHBondContact O-N 2.84Å; S106-T108 PolarHBondContact OG-OG1 2.81Å; T108-G110 PolarHBondContact O-N 3.39Å; T108-L111 PolarHBondContact O-N 2.94Å
109A48.6Very low63.8Low63 Ų6367.9 Ų67.952%0.52143%0.433SS..G310 helixtrans-63.3-25.6179.200000113.5S106 K107 S113S106-A109 PolarHBondContact O-N 2.91Å; K107-A109 VanDerWaalsContact C-N 3.29Å; K107-A109 PolarHBondContact O-N 3.31Å; A109-S113 PolarHBondContact O-OG 2.87Å
110G46.9Very low62.2Low24 Ų2477.6 Ų77.625%0.24747%0.47CS..G310 helixtrans-870.218000000115.7K107 T108K107-G110 PolarHBondContact O-N 2.82Å; T108-G110 PolarHBondContact O-N 3.39Å
111L50.3Low61.6Low146 Ų14684.6 Ų84.676%0.76450%0.495SS*.THydrogen-bonded Turntrans-100.6-20.8-176.8-88.7152.1000114T108T108-L111 PolarHBondContact O-N 2.94Å
112L55.2Low61.4Low176 Ų17691.4 Ų91.492%0.92152%0.521SS*.SBendtrans-102.5-6.3179.2-66.9173.7000113.7
113S47.9Very low61.3Low56 Ų5693.6 Ų93.639%0.39254%0.535SS..SBendtrans-124.2120.7170.859.10000108.8A109 S115A109-S113 PolarHBondContact O-OG 2.87Å; S113-S115 PolarHBondContact O-N 2.88Å; S113-S115 PolarHBondContact OG-OG 2.81Å
114G47.5Very low61.4Low97 Ų9792.9 Ų92.9100%153%0.531SS*.  trans-67.57.2-176.200000115.4
115S45.3Very low61.8Low80 Ų8091.4 Ų91.456%0.55952%0.522SS*.SBendtrans-77.6135.8168.953.30000110.8S113S113-S115 PolarHBondContact O-N 2.88Å; S113-S115 PolarHBondContact OG-OG 2.81Å
116T45.2Very low62.9Low124 Ų12492.7 Ų92.776%0.76153%0.527SS*.  trans-40.6135.4172.1-43.10000111.5S118T116-S118 PolarHBondContact O-N 2.66Å
117P45.7Very low64.4Low96 Ų9692.9 Ų92.962%0.62352%0.52SS*.  trans-69.970.5-170.828.3-37.2000113.3V119P117-V119 PolarHBondContact O-N 2.86Å
118S42.9Very low66.3Low109 Ų10989.1 Ų89.176%0.76251%0.505SS*.  trans-79.955.1179.7-163.40000110.6T116 R120T116-S118 PolarHBondContact O-N 2.66Å; S118-R120 PolarHBondContact O-N 3.29Å
119V54.1Low68.4Low61 Ų6185.1 Ų85.137%0.3748%0.48SS..  trans-72.882.1171.3-166.50000107.5V104 P117 R121V104-V119 WeakPolarHBondContact O-CG1 3.47Å; P117-V119 PolarHBondContact O-N 2.86Å; V119-R121 PolarHBondContact O-N 3Å
120R64.1Low70.7Confident205 Ų20583.1 Ų83.177%0.77446%0.46SS*.  trans-56101-178.3177.8179.4177.11690.7109.4S118 R122S118-R120 PolarHBondContact O-N 3.29Å; R120-R122 WeakPolarHBondContact O-CG 3.47Å; R120-R122 PolarHBondContact O-N 2.76Å
121R83.2Confident73Confident166 Ų16682 Ų8263%0.62645%0.449SS*.  trans-46130.1176.9-68.8-175.8173.496.5-3.8110.5D103 V104 V119D103-R121 WeakPolarHBondContact O-CA 3.44Å; V104-R121 HydrophobicContact CG1-CG 4.23Å; V104-R121 HydrophobicContact CG2-CG 4.24Å; V119-R121 PolarHBondContact O-N 3Å
122R90.3Very high75Confident143 Ų14376 Ų7654%0.5442%0.42SS..EExtended strand (participates in β ladder)trans-122.3122.2-176.3-47.5-167.9-172.9-162.35110.4E102 D103 R120 L124E102-R122 CarbonylContact C-O 3.56Å; E102-R122 WeakPolarHBondContact CA-O 3.34Å; D103-R122 HydrophobicContact CB-CB 4.42Å; D103-R122 PolarHBondContact N-O 2.96Å; D103-R122 PolarHBondContact O-N 3.45Å; R120-R122 WeakPolarHBondContact O-CG 3.47Å; R120-R122 PolarHBondContact O-N 2.76Å; R122-L124 PolarHBondContact O-N 2.85Å
123V93.7Very high76.8Confident54 Ų5472.9 Ų72.933%0.32740%0.401SS..EExtended strand (participates in β ladder)trans-68.1121.5171.4-173.30000108.7Q100 E102 T126 A151Q100-V123 HydrophobicContact CB-CG1 4.14Å; E102-V123 HydrophobicContact CG-CG2 4Å; V123-T126 HydrophobicContact CG1-CG2 3.4Å; V123-A151 HydrophobicContact CG1-CB 4.01Å
124L94.3Very high79Confident0 Ų071.9 Ų71.90%039%0.39CS..EExtended strand (participates in β ladder)trans-92.5-42178.9-60.4-175.7000112Y34 L39 I101 D103 R122 A151 S152 L155Y34-L124 HydrophobicContact CE1-CD1 4.28Å; Y34-L124 HydrophobicContact CE1-CD2 4.38Å; Y34-L124 WeakPolarHBondContact OH-CD1 3.2Å; L39-L124 HydrophobicContact CD2-CD1 3.76Å; I101-L124 HydrophobicContact CG2-CD1 4.33Å; I101-L124 PolarHBondContact O-N 2.86Å; D103-L124 HydrophobicContact CB-CD1 4.06Å; D103-L124 HydrophobicContact CB-CD2 3.94Å; D103-L124 HydrophobicContact CB-CG 3.96Å; R122-L124 PolarHBondContact O-N 2.85Å; L124-A151 WeakPolarHBondContact O-CA 3.23Å; L124-A151 PolarHBondContact O-N 2.78Å; L124-S152 PolarHBondContact O-N 3.45Å; L124-L155 HydrophobicContact CB-CD1 3.69Å; L124-L155 HydrophobicContact CB-CG 4.23Å; L124-L155 HydrophobicContact CD1-CD1 4.35Å
125A96.6Very high81.1Confident0 Ų068.1 Ų68.10%035%0.348CS..EExtended strand (participates in β ladder)trans-152.2154.4178.800000111.2Q100 I101 M148 R149 L155 A158Q100-A125 CarbonylContact C-O 3.5Å; Q100-A125 VanDerWaalsContact CA-O 3.3Å; Q100-A125 WeakPolarHBondContact CA-O 3.37Å; Q100-A125 WeakPolarHBondContact CB-O 3.45Å; I101-A125 HydrophobicContact CD1-CB 4.41Å; I101-A125 PolarHBondContact N-O 2.91Å; A125-M148 HydrophobicContact CB-CB 3.69Å; A125-M148 HydrophobicContact CB-CG 4.47Å; A125-R149 CarbonylContact C-O 3.58Å; A125-R149 WeakPolarHBondContact CA-O 3.43Å; A125-R149 WeakPolarHBondContact CB-O 3.44Å; A125-L155 HydrophobicContact CB-CD1 4.27Å; A125-A158 HydrophobicContact CB-CB 3.98Å
126T97.1Very high83.2Confident39 Ų3966.2 Ų66.224%0.23933%0.334CS..EExtended strand (participates in β ladder)trans-139.3152.4-177640000112C99 Q100 V123 R149 A151C99-T126 CarbonylContact O-C 3.53Å; C99-T126 WeakPolarHBondContact O-CA 3.45Å; Q100-T126 HydrophobicContact CB-CG2 3.78Å; V123-T126 HydrophobicContact CG1-CG2 3.4Å; T126-R149 PolarHBondContact N-O 2.86Å; T126-R149 WeakPolarHBondContact O-CA 3.48Å; T126-R149 WeakPolarHBondContact O-CB 3.22Å; T126-R149 PolarHBondContact O-N 2.93Å; T126-A151 HydrophobicContact CG2-CB 4.29Å
127R96.9Very high85.1Confident55 Ų5563.7 Ų63.721%0.20832%0.316CS..EExtended strand (participates in β ladder)trans-141.8130.1165.8-172.662.6-179.1-124.84.2110I98 C99 I129 V146 V147 M148I98-R127 WeakPolarHBondContact CA-O 3.4Å; C99-R127 PolarHBondContact N-O 2.79Å; C99-R127 PolarHBondContact O-N 3.24Å; R127-I129 HydrophobicContact CG-CG1 4.03Å; R127-V146 HydrophobicContact CB-CG1 3.93Å; R127-V146 HydrophobicContact CG-CG1 3.7Å; R127-V147 PolarHBondContact NH1-O 2.82Å; R127-M148 HydrophobicContact CB-SD 3.45Å; R127-M148 WeakPolarHBondContact CB-SD 3.47Å
128Q96Very high87.3Confident80 Ų8065.1 Ų65.137%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-75.5128.4162.1-72.9155.7-69.500108E96 W97 I98E96-Q128 PolarHBondContact OE1-NE2 2.82Å; E96-Q128 PolarHBondContact OE2-NE2 3Å; W97-Q128 WeakPolarHBondContact O-CA 3.2Å; I98-Q128 HydrophobicContact CG1-CG 4.42Å
129I95.6Very high89.5Confident13 Ų1364.2 Ų64.27%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-126.9123.3176.6-60.4172.9000105.5W43 E96 W97 C99 R127 F134 V146 L164W43-I129 HydrophobicContact CH2-CB 4.45Å; W43-I129 HydrophobicContact CH2-CD1 3.5Å; W43-I129 VanDerWaalsContact CH2-CD1 3.5Å; W43-I129 HydrophobicContact CH2-CG2 4.37Å; W43-I129 HydrophobicContact CZ2-CD1 4.21Å; W43-I129 HydrophobicContact CZ3-CB 4.34Å; W43-I129 HydrophobicContact CZ3-CD1 4.01Å; E96-I129 WeakPolarHBondContact CA-O 3.47Å; W97-I129 PolarHBondContact N-O 3.1Å; W97-I129 PolarHBondContact O-N 2.93Å; C99-I129 HydrophobicContact CB-CD1 3.8Å; R127-I129 HydrophobicContact CG-CG1 4.03Å; I129-F134 HydrophobicContact CG2-CD2 4.13Å; I129-F134 HydrophobicContact CG2-CE2 3.65Å; I129-V146 HydrophobicContact CD1-CG1 4.02Å; I129-V146 HydrophobicContact CD1-CG2 4.23Å; I129-L164 HydrophobicContact CG2-CD1 4.49Å
130D95.6Very high91.4Very high21 Ų2163.4 Ų63.411%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-83.1123.7172.4-164.3-12.1000109.9E94 K95 E96 A132 E133 F134E94-D130 WeakPolarHBondContact CA-OD2 3.12Å; E94-D130 VanDerWaalsContact CB-OD2 3.23Å; E94-D130 WeakPolarHBondContact CB-OD2 3.13Å; K95-D130 VanDerWaalsContact CA-OD1 3.32Å; K95-D130 WeakPolarHBondContact CA-OD1 3.19Å; K95-D130 VanDerWaalsContact N-CG 3.26Å; K95-D130 PolarHBondContact N-OD1 3.36Å; K95-D130 PolarHBondContact N-OD2 3.41Å; K95-D130 VanDerWaalsContact N-OD2 3.1Å; E96-D130 PolarHBondContact N-OD1 3.34Å; D130-A132 VanDerWaalsContact C-N 3.27Å; D130-A132 WeakPolarHBondContact OD1-CB 3.25Å; D130-A132 PolarHBondContact OD1-N 2.98Å; D130-E133 HydrophobicContact CB-CG 4.2Å; D130-E133 PolarHBondContact O-N 3.33Å; D130-F134 WeakPolarHBondContact O-CD2 3.4Å; D130-F134 WeakPolarHBondContact O-CE2 2.98Å
131I95Very high92.8Very high0 Ų060.4 Ų60.40%030%0.299CS..G310 helixtrans-74.9-19.9176.3-63.3-61.2000111.4I19 W43 F79 T81 W97 E133 F134 V135 L164I19-I131 HydrophobicContact CD1-CG2 3.77Å; I19-I131 HydrophobicContact CG1-CG2 3.94Å; I19-I131 HydrophobicContact CG2-CD1 4.45Å; W43-I131 HydrophobicContact CZ3-CD1 4.15Å; F79-I131 HydrophobicContact CE2-CD1 4.41Å; F79-I131 HydrophobicContact CE2-CG1 4.43Å; F79-I131 HydrophobicContact CZ-CD1 4.27Å; T81-I131 HydrophobicContact CG2-CG2 4.07Å; W97-I131 HydrophobicContact CB-CG1 4.4Å; W97-I131 HydrophobicContact CG-CG1 4Å; I131-E133 PolarHBondContact O-N 3.49Å; I131-F134 PolarHBondContact O-N 2.85Å; I131-V135 HydrophobicContact CG2-CG1 3.96Å; I131-V135 WeakPolarHBondContact O-CG1 3.49Å; I131-L164 HydrophobicContact CD1-CD1 3.99Å
132A93.6Very high93.4Very high21 Ų2154.1 Ų54.117%0.17428%0.279CS..G310 helixtrans-61.4-23.1174.400000113.2L83 F92 D130L83-A132 HydrophobicContact CD2-CB 4.23Å; F92-A132 HydrophobicContact CB-CB 4.4Å; D130-A132 VanDerWaalsContact C-N 3.27Å; D130-A132 WeakPolarHBondContact OD1-CB 3.25Å; D130-A132 PolarHBondContact OD1-N 2.98Å
133E92.3Very high93.7Very high110 Ų11053.3 Ų53.351%0.51429%0.286SS..G310 helixtrans-77.6-17.9176-62.1179.314600113.4D130 I131D130-E133 HydrophobicContact CB-CG 4.2Å; D130-E133 PolarHBondContact O-N 3.33Å; I131-E133 PolarHBondContact O-N 3.49Å
134F93.3Very high93.7Very high35 Ų3552.2 Ų52.215%0.15428%0.278CS..G310 helixtrans-120.819.8-170.8-51.9-71000113.8I129 D130 I131 T142 L144 L164 S166I129-F134 HydrophobicContact CG2-CD2 4.13Å; I129-F134 HydrophobicContact CG2-CE2 3.65Å; D130-F134 WeakPolarHBondContact O-CD2 3.4Å; D130-F134 WeakPolarHBondContact O-CE2 2.98Å; I131-F134 PolarHBondContact O-N 2.85Å; F134-T142 HydrophobicContact CD1-CG2 4.23Å; F134-L144 HydrophobicContact CD1-CD1 4.2Å; F134-L144 HydrophobicContact CD1-CD2 4.29Å; F134-L144 HydrophobicContact CE1-CD1 3.88Å; F134-L144 HydrophobicContact CE1-CD2 3.6Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.29Å; F134-L144 HydrophobicContact CZ-CD1 3.94Å; F134-L144 HydrophobicContact CZ-CD2 4.11Å; F134-L164 HydrophobicContact CB-CD1 4.1Å; F134-L164 HydrophobicContact CD2-CD1 3.79Å; F134-L164 HydrophobicContact CE2-CD1 4.49Å; F134-L164 HydrophobicContact CG-CD1 3.9Å; F134-S166 VanDerWaalsContact O-CB 3.23Å; F134-S166 WeakPolarHBondContact O-CB 3.39Å
135V92.3Very high93.8Very high19 Ų1959.3 Ų59.312%0.11531%0.309CS..  trans-117.2155.6173.3-60.40000111.4F17 I19 L83 F92 I131 S166F17-V135 HydrophobicContact CB-CG1 4.4Å; F17-V135 HydrophobicContact CD1-CB 4.2Å; F17-V135 HydrophobicContact CD1-CG1 4.05Å; F17-V135 HydrophobicContact CD2-CB 4.41Å; F17-V135 HydrophobicContact CD2-CG1 4.03Å; F17-V135 HydrophobicContact CE1-CB 4Å; F17-V135 HydrophobicContact CE1-CG1 4.34Å; F17-V135 HydrophobicContact CE2-CB 4.17Å; F17-V135 HydrophobicContact CE2-CG1 4.29Å; F17-V135 HydrophobicContact CE2-CG2 4.2Å; F17-V135 HydrophobicContact CG-CB 4.41Å; F17-V135 HydrophobicContact CG-CG1 3.88Å; F17-V135 HydrophobicContact CZ-CB 3.97Å; F17-V135 HydrophobicContact CZ-CG1 4.45Å; F17-V135 HydrophobicContact CZ-CG2 4.24Å; I19-V135 HydrophobicContact CD1-CG1 4.03Å; L83-V135 HydrophobicContact CD1-CB 4.16Å; L83-V135 HydrophobicContact CD1-CG1 3.72Å; L83-V135 HydrophobicContact CD1-CG2 3.42Å; L83-V135 VanDerWaalsContact CD1-CG2 3.42Å; F92-V135 HydrophobicContact CD2-CG2 3.59Å; F92-V135 HydrophobicContact CE2-CG2 4.07Å; F92-V135 HydrophobicContact CG-CG2 4.4Å; I131-V135 HydrophobicContact CG2-CG1 3.96Å; I131-V135 WeakPolarHBondContact O-CG1 3.49Å; V135-S166 WeakPolarHBondContact CG1-OG 3.21Å
136S88.8Confident93.7Very high39 Ų3960 Ų6027%0.27331%0.312SS..  trans-145.8175.2161.792.20000109.3F17 L138 V140F17-S136 WeakPolarHBondContact CE1-O 3.3Å; S136-L138 CarbonylContact C-O 3.59Å; S136-L138 PolarHBondContact O-N 3.44Å; S136-L138 PolarHBondContact OG-N 3.27Å; S136-L138 PolarHBondContact OG-O 2.94Å; S136-V140 WeakPolarHBondContact OG-CG2 3.49Å
137D86.5Confident93.7Very high71 Ų7160.6 Ų60.638%0.3832%0.316SS..SBendtrans-69.3-10.2172.4-65.5-52.4000113.1R85R85-D137 IonicContact CZ-OD1 2.86Å; R85-D137 IonicContact CZ-OD2 2.75Å; R85-D137 VanDerWaalsContact CZ-OD2 3.23Å; R85-D137 IonicContact NH1-OD1 3.98Å; R85-D137 IonicContact NH1-OD2 2.83Å; R85-D137 PolarHBondContact NH1-OD2 2.95Å; R85-D137 IonicContact NH2-OD1 3.17Å; R85-D137 PolarHBondContact NH2-OD1 3.29Å; R85-D137 IonicContact NH2-OD2 2.71Å; R85-D137 PolarHBondContact NH2-OD2 3.2Å
138L90.2Very high93.6Very high126 Ų12658.4 Ų58.466%0.6631%0.308SS*.SBendtrans-106.1158.5168.6-60.9177.6000111.5S136 V140S136-L138 CarbonylContact C-O 3.59Å; S136-L138 PolarHBondContact O-N 3.44Å; S136-L138 PolarHBondContact OG-N 3.27Å; S136-L138 PolarHBondContact OG-O 2.94Å; L138-V140 PolarHBondContact O-N 3.15Å
139P90.9Very high93.6Very high91 Ų9161.2 Ų61.259%0.59132%0.316SS*.  trans-55.2131.2169.3-24.435.2000112S166 V167P139-S166 VanDerWaalsContact CA-O 3.32Å; P139-S166 WeakPolarHBondContact CA-O 3.39Å; P139-V167 HydrophobicContact CB-CG2 4.45Å
140V92.4Very high93.6Very high43 Ų4364.6 Ų64.626%0.26133%0.333SS..EExtended strand (participates in β ladder)trans-136.3131.5-176.7163.70000110.6S136 L138 T142 N165 S166S136-V140 WeakPolarHBondContact OG-CG2 3.49Å; L138-V140 PolarHBondContact O-N 3.15Å; V140-T142 HydrophobicContact CG1-CG2 3.93Å; V140-N165 CarbonylContact O-C 3.58Å; V140-N165 WeakPolarHBondContact O-CA 3.35Å; V140-N165 PolarHBondContact O-OD1 3.22Å; V140-S166 PolarHBondContact N-O 3.14Å; V140-S166 PolarHBondContact O-N 3.34Å
141Q95.2Very high93.5Very high142 Ų14266.4 Ų66.466%0.66435%0.351SS*.EExtended strand (participates in β ladder)trans-118.6129.4176.8-167.6179.43000110.3T163 L164Q141-T163 HydrophobicContact CG-CG2 3.34Å; Q141-L164 CarbonylContact C-O 3.56Å; Q141-L164 WeakPolarHBondContact CA-O 3.46Å
142T94.5Very high93.3Very high35 Ų3567.7 Ų67.722%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-134.7130.8-175.8530000111.8F134 V140 T163 L164F134-T142 HydrophobicContact CD1-CG2 4.23Å; V140-T142 HydrophobicContact CG1-CG2 3.93Å; T142-T163 CarbonylContact O-C 3.6Å; T142-T163 VanDerWaalsContact O-CA 3.3Å; T142-T163 WeakPolarHBondContact O-CA 3.36Å; T142-T163 WeakPolarHBondContact O-CG2 3.15Å; T142-L164 PolarHBondContact N-O 3.43Å; T142-L164 PolarHBondContact O-N 3.24Å; T142-L164 PolarHBondContact OG1-O 3.49Å
143N96.2Very high93.2Very high126 Ų12676.6 Ų76.667%0.67440%0.395SS*.EExtended strand (participates in β ladder)trans-94123.5178.6-67.9-32.3000110T163N143-T163 WeakPolarHBondContact OD1-CB 3.27Å; N143-T163 VanDerWaalsContact OD1-CG2 3.31Å; N143-T163 WeakPolarHBondContact OD1-CG2 3.34Å; N143-T163 PolarHBondContact OD1-OG1 3.04Å
144L94.4Very high93.1Very high31 Ų3174.3 Ų74.316%0.16238%0.384CS..EExtended strand (participates in β ladder)trans-126.8121-169.5-57.1-178.7000111.9F134 V146 L162 L164F134-L144 HydrophobicContact CD1-CD1 4.2Å; F134-L144 HydrophobicContact CD1-CD2 4.29Å; F134-L144 HydrophobicContact CE1-CD1 3.88Å; F134-L144 HydrophobicContact CE1-CD2 3.6Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.29Å; F134-L144 HydrophobicContact CZ-CD1 3.94Å; F134-L144 HydrophobicContact CZ-CD2 4.11Å; L144-V146 HydrophobicContact CB-CG2 3.89Å; L144-V146 PolarHBondContact O-N 2.85Å; L144-L162 HydrophobicContact CB-CD1 4.13Å; L144-L162 HydrophobicContact CD1-CD1 4.2Å; L144-L162 PolarHBondContact N-O 3.23Å; L144-L162 PolarHBondContact O-N 3.21Å; L144-L164 HydrophobicContact CD1-CB 4.45Å; L144-L164 HydrophobicContact CD1-CD1 3.66Å; L144-L164 HydrophobicContact CD1-CG 3.87Å
145K96.1Very high93.1Very high149 Ų14973.1 Ų73.165%0.64838%0.378SS*.EExtended strand (participates in β ladder)trans-92.587.5168-171.4177.4-178.9178.80109.4V147 L161K145-V147 PolarHBondContact O-N 3.1Å; K145-L161 HydrophobicContact CB-CD1 4.26Å
146V95Very high93.1Very high13 Ų1376.6 Ų76.68%0.07940%0.395CS..EExtended strand (participates in β ladder)trans-82.6102.5-171-1730000111.1R127 I129 L144 M148 T159 V160 L162R127-V146 HydrophobicContact CB-CG1 3.93Å; R127-V146 HydrophobicContact CG-CG1 3.7Å; I129-V146 HydrophobicContact CD1-CG1 4.02Å; I129-V146 HydrophobicContact CD1-CG2 4.23Å; L144-V146 HydrophobicContact CB-CG2 3.89Å; L144-V146 PolarHBondContact O-N 2.85Å; V146-M148 HydrophobicContact CB-CE 3.96Å; V146-M148 HydrophobicContact CG1-CE 3.54Å; V146-M148 HydrophobicContact CG1-SD 3.92Å; V146-M148 PolarHBondContact O-N 2.79Å; V146-T159 WeakPolarHBondContact O-CA 3.1Å; V146-V160 PolarHBondContact N-O 2.89Å; V146-V160 PolarHBondContact O-N 2.95Å; V146-L162 HydrophobicContact CG2-CD2 4.08Å; V146-L162 HydrophobicContact CG2-CG 4.16Å
147V96.5Very high93.3Very high52 Ų5277.1 Ų77.132%0.31540%0.399SS..EExtended strand (participates in β ladder)trans-76.2118.8170.1-174.50000110.2R127 K145 T159 N458R127-V147 PolarHBondContact NH1-O 2.82Å; K145-V147 PolarHBondContact O-N 3.1Å; V147-T159 HydrophobicContact CG2-CG2 4.12Å; V147-N458 HydrophobicContact CG2-CB 4.08Å
148M96Very high93.8Very high10 Ų1073.9 Ų73.95%0.04938%0.383CS..PPolyproline II helixtrans-88.9145.3-174.3-57.1-70.4174.300111.8C99 I101 A125 R127 V146 A158 V160C99-M148 HydrophobicContact CB-CE 4.49Å; I101-M148 HydrophobicContact CD1-CG 4.28Å; A125-M148 HydrophobicContact CB-CB 3.69Å; A125-M148 HydrophobicContact CB-CG 4.47Å; R127-M148 HydrophobicContact CB-SD 3.45Å; R127-M148 WeakPolarHBondContact CB-SD 3.47Å; V146-M148 HydrophobicContact CB-CE 3.96Å; V146-M148 HydrophobicContact CG1-CE 3.54Å; V146-M148 HydrophobicContact CG1-SD 3.92Å; V146-M148 PolarHBondContact O-N 2.79Å; M148-A158 HydrophobicContact CB-CB 4.02Å; M148-A158 HydrophobicContact CG-CB 4.4Å; M148-A158 PolarHBondContact N-O 2.72Å; M148-V160 HydrophobicContact CE-CB 3.77Å; M148-V160 HydrophobicContact CE-CG2 3.54Å
149R95.8Very high94.1Very high139 Ų13969.3 Ų69.353%0.52536%0.36SS..EExtended strand (participates in β ladder)trans-78.8132.3167.9-61.9179.8-179.8139.1-0.4109A125 T126 A151A125-R149 CarbonylContact C-O 3.58Å; A125-R149 WeakPolarHBondContact CA-O 3.43Å; A125-R149 WeakPolarHBondContact CB-O 3.44Å; T126-R149 PolarHBondContact N-O 2.86Å; T126-R149 WeakPolarHBondContact O-CA 3.48Å; T126-R149 WeakPolarHBondContact O-CB 3.22Å; T126-R149 PolarHBondContact O-N 2.93Å; R149-A151 PolarHBondContact O-N 2.84Å
150L95.4Very high94.4Very high83 Ų8365 Ų6544%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-71.3121.1-178.7-47.8175.7000110.3L155 I156 A158L150-L155 HydrophobicContact CD2-CB 3.99Å; L150-I156 WeakPolarHBondContact CD1-O 3.5Å; L150-A158 HydrophobicContact CD2-CB 4.42Å
151A92.9Very high94.6Very high59 Ų5966.2 Ų66.249%0.48834%0.336SS..SBendtrans-95.1-14.4174.600000112.1V123 L124 T126 R149V123-A151 HydrophobicContact CG1-CB 4.01Å; L124-A151 WeakPolarHBondContact O-CA 3.23Å; L124-A151 PolarHBondContact O-N 2.78Å; T126-A151 HydrophobicContact CG2-CB 4.29Å; R149-A151 PolarHBondContact O-N 2.84Å
152S92Very high94.7Very high28 Ų2859.4 Ų59.420%0.19631%0.305CS..SBendtrans-132.4133.5-177.2-178.50000111.1L124 K154 L155L124-S152 PolarHBondContact O-N 3.45Å; S152-K154 PolarHBondContact O-N 2.97Å; S152-K154 WeakPolarHBondContact OG-CB 3.35Å; S152-K154 PolarHBondContact OG-N 2.88Å; S152-L155 PolarHBondContact O-N 2.9Å
153K90.7Very high94.8Very high207 Ų20758 Ų5890%0.930%0.296SS*.THydrogen-bonded Turntrans-62.6-1.7172.3-61.9-174177.7-174.50114.1L155K153-L155 VanDerWaalsContact C-N 3.35Å
154K90.2Very high94.8Very high63 Ų6352.1 Ų52.127%0.27427%0.265SS..THydrogen-bonded Turntrans-77-18.9174.1-73.8-176.1153.5-153.90113.5C30 S31 Y34 S152C30-K154 CarbonylContact C-O 3.59Å; C30-K154 WeakPolarHBondContact CA-O 3.29Å; S31-K154 PolarHBondContact N-O 3.3Å; Y34-K154 HydrophobicContact CD1-CB 3.54Å; Y34-K154 HydrophobicContact CD1-CD 4.04Å; Y34-K154 HydrophobicContact CD1-CG 4.17Å; Y34-K154 HydrophobicContact CD2-CD 3.66Å; Y34-K154 HydrophobicContact CD2-CG 4.36Å; Y34-K154 HydrophobicContact CE1-CB 3.88Å; Y34-K154 HydrophobicContact CE1-CD 4.05Å; Y34-K154 HydrophobicContact CE2-CD 3.71Å; Y34-K154 HydrophobicContact CG-CB 3.89Å; Y34-K154 HydrophobicContact CG-CD 3.79Å; Y34-K154 HydrophobicContact CG-CG 4.01Å; S152-K154 PolarHBondContact O-N 2.97Å; S152-K154 WeakPolarHBondContact OG-CB 3.35Å; S152-K154 PolarHBondContact OG-N 2.88Å
155L92.3Very high95Very high9 Ų953.1 Ų53.15%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-108.7153.3176.3-63.2-170.7000111.1I28 E29 C30 Y34 L124 A125 L150 S152 K153 A158I28-L155 HydrophobicContact CB-CD2 4.29Å; I28-L155 HydrophobicContact CD1-CD2 4.4Å; I28-L155 HydrophobicContact CG2-CD1 4.36Å; E29-L155 CarbonylContact O-C 3.59Å; E29-L155 WeakPolarHBondContact O-CA 3.29Å; C30-L155 HydrophobicContact CB-CD2 4.42Å; C30-L155 WeakPolarHBondContact SG-CD2 3.27Å; Y34-L155 HydrophobicContact CE1-CD2 4.23Å; L124-L155 HydrophobicContact CB-CD1 3.69Å; L124-L155 HydrophobicContact CB-CG 4.23Å; L124-L155 HydrophobicContact CD1-CD1 4.35Å; A125-L155 HydrophobicContact CB-CD1 4.27Å; L150-L155 HydrophobicContact CD2-CB 3.99Å; S152-L155 PolarHBondContact O-N 2.9Å; K153-L155 VanDerWaalsContact C-N 3.35Å; L155-A158 HydrophobicContact CD1-CB 4.09Å
156I93.2Very high94.9Very high92 Ų9246 Ų4647%0.47224%0.239SC..EExtended strand (participates in β ladder)trans-107.9-41173.5-58.9175.4000109.4E29 C30 L150E29-I156 HydrophobicContact CB-CB 4.17Å; E29-I156 HydrophobicContact CG-CB 3.98Å; E29-I156 HydrophobicContact CG-CD1 4.23Å; E29-I156 HydrophobicContact CG-CG2 4.43Å; E29-I156 PolarHBondContact O-N 3.25Å; E29-I156 WeakPolarHBondContact OE2-CG2 3.49Å; C30-I156 WeakPolarHBondContact O-CD1 3.37Å; L150-I156 WeakPolarHBondContact CD1-O 3.5Å
157S94Very high94.9Very high51 Ų5148 Ų4836%0.35725%0.251SS..EExtended strand (participates in β ladder)trans-147.2156.817564.70000111.4I28 E29I28-S157 WeakPolarHBondContact CA-O 3.32Å; E29-S157 WeakPolarHBondContact CB-OG 3.47Å; E29-S157 PolarHBondContact N-O 2.79Å; E29-S157 PolarHBondContact O-N 2.78Å; E29-S157 PolarHBondContact OE2-OG 3.07Å
158A96Very high94.8Very high3 Ų347.9 Ų47.93%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-156.3125.717700000111.7N27 I28 I101 A125 M148 L150 L155N27-A158 WeakPolarHBondContact O-CA 3.22Å; I28-A158 HydrophobicContact CG2-CB 3.96Å; I101-A158 HydrophobicContact CD1-CB 4.16Å; A125-A158 HydrophobicContact CB-CB 3.98Å; M148-A158 HydrophobicContact CB-CB 4.02Å; M148-A158 HydrophobicContact CG-CB 4.4Å; M148-A158 PolarHBondContact N-O 2.72Å; L150-A158 HydrophobicContact CD2-CB 4.42Å; L155-A158 HydrophobicContact CD1-CB 4.09Å
159T96.7Very high94.6Very high29 Ų2951.3 Ų51.318%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-138.2132.9178.466.80000111.1N27 V146 V147N27-T159 PolarHBondContact N-O 2.87Å; N27-T159 PolarHBondContact O-N 2.96Å; V146-T159 WeakPolarHBondContact O-CA 3.1Å; V147-T159 HydrophobicContact CG2-CG2 4.12Å
160V96.2Very high94.2Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-110.3129.2169.9178.30000109.4L23 E25 L26 I101 V146 M148 L162L23-V160 HydrophobicContact CD2-CG1 4.11Å; E25-V160 CarbonylContact O-C 3.58Å; E25-V160 WeakPolarHBondContact O-CA 3.29Å; L26-V160 HydrophobicContact CD1-CG2 3.5Å; I101-V160 HydrophobicContact CD1-CG2 4.35Å; V146-V160 PolarHBondContact N-O 2.89Å; V146-V160 PolarHBondContact O-N 2.95Å; M148-V160 HydrophobicContact CE-CB 3.77Å; M148-V160 HydrophobicContact CE-CG2 3.54Å; V160-L162 HydrophobicContact CG1-CB 4.2Å; V160-L162 HydrophobicContact CG1-CD2 3.92Å; V160-L162 HydrophobicContact CG1-CG 4.42Å
161L96.9Very high94Very high69 Ų6948 Ų4836%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-91.5122.4163.4-173.966.6000108.5H24 E25 K145H24-L161 HydrophobicContact CB-CB 4.49Å; H24-L161 HydrophobicContact CB-CD2 4.26Å; H24-L161 HydrophobicContact CB-CG 4.28Å; H24-L161 PolarHBondContact N-O 3.29Å; E25-L161 HydrophobicContact CB-CB 4.02Å; E25-L161 HydrophobicContact CB-CD2 4.47Å; E25-L161 PolarHBondContact N-O 3.4Å; E25-L161 PolarHBondContact O-N 3.34Å; K145-L161 HydrophobicContact CB-CD1 4.26Å
162L97.2Very high93.7Very high0 Ų046.8 Ų46.80%026%0.261CS..EExtended strand (participates in β ladder)trans-145160.5178.76484.3000111.2S22 L23 W43 L144 V146 V160 L164S22-L162 CarbonylContact O-C 3.6Å; S22-L162 WeakPolarHBondContact O-CA 3.42Å; S22-L162 VanDerWaalsContact O-CB 3.27Å; S22-L162 WeakPolarHBondContact O-CB 3.33Å; L23-L162 HydrophobicContact CD2-CB 4Å; L23-L162 HydrophobicContact CD2-CD2 4.11Å; W43-L162 HydrophobicContact CZ2-CD1 4.37Å; W43-L162 HydrophobicContact CZ2-CD2 3.85Å; L144-L162 HydrophobicContact CB-CD1 4.13Å; L144-L162 HydrophobicContact CD1-CD1 4.2Å; L144-L162 PolarHBondContact N-O 3.23Å; L144-L162 PolarHBondContact O-N 3.21Å; V146-L162 HydrophobicContact CG2-CD2 4.08Å; V146-L162 HydrophobicContact CG2-CG 4.16Å; V160-L162 HydrophobicContact CG1-CB 4.2Å; V160-L162 HydrophobicContact CG1-CD2 3.92Å; V160-L162 HydrophobicContact CG1-CG 4.42Å; L162-L164 HydrophobicContact CD1-CD2 3.97Å; L162-L164 HydrophobicContact CD1-CG 3.8Å
163T97.3Very high93.4Very high6 Ų652.7 Ų52.74%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-108.5130.4167.4-55.90000109.1A21 S22 H24 Q141 T142 N143A21-T163 CarbonylContact C-O 3.54Å; A21-T163 WeakPolarHBondContact CA-O 3.28Å; S22-T163 PolarHBondContact N-O 3.35Å; S22-T163 PolarHBondContact O-N 2.79Å; H24-T163 PolarHBondContact NE2-OG1 3.39Å; Q141-T163 HydrophobicContact CG-CG2 3.34Å; T142-T163 CarbonylContact O-C 3.6Å; T142-T163 VanDerWaalsContact O-CA 3.3Å; T142-T163 WeakPolarHBondContact O-CA 3.36Å; T142-T163 WeakPolarHBondContact O-CG2 3.15Å; N143-T163 WeakPolarHBondContact OD1-CB 3.27Å; N143-T163 VanDerWaalsContact OD1-CG2 3.31Å; N143-T163 WeakPolarHBondContact OD1-CG2 3.34Å; N143-T163 PolarHBondContact OD1-OG1 3.04Å
164L96.8Very high93Very high2 Ų243.7 Ų43.71%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-96.2118.4164.3-71.8-174.6000109.2I19 A21 W43 I129 I131 F134 Q141 T142 L144 L162I19-L164 HydrophobicContact CG2-CD2 4.04Å; A21-L164 HydrophobicContact CB-CD2 3.6Å; W43-L164 HydrophobicContact CH2-CD1 4.27Å; W43-L164 HydrophobicContact CH2-CD2 3.85Å; W43-L164 HydrophobicContact CZ2-CD2 3.86Å; I129-L164 HydrophobicContact CG2-CD1 4.49Å; I131-L164 HydrophobicContact CD1-CD1 3.99Å; F134-L164 HydrophobicContact CB-CD1 4.1Å; F134-L164 HydrophobicContact CD2-CD1 3.79Å; F134-L164 HydrophobicContact CE2-CD1 4.49Å; F134-L164 HydrophobicContact CG-CD1 3.9Å; Q141-L164 CarbonylContact C-O 3.56Å; Q141-L164 WeakPolarHBondContact CA-O 3.46Å; T142-L164 PolarHBondContact N-O 3.43Å; T142-L164 PolarHBondContact O-N 3.24Å; T142-L164 PolarHBondContact OG1-O 3.49Å; L144-L164 HydrophobicContact CD1-CB 4.45Å; L144-L164 HydrophobicContact CD1-CD1 3.66Å; L144-L164 HydrophobicContact CD1-CG 3.87Å; L162-L164 HydrophobicContact CD1-CD2 3.97Å; L162-L164 HydrophobicContact CD1-CG 3.8Å
165N96.9Very high92.6Very high51 Ų5143.4 Ų43.427%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-99.2138.6162.4-176.630.8000109.5I19 T20 V140I19-N165 WeakPolarHBondContact CA-O 3.42Å; T20-N165 PolarHBondContact N-O 3.23Å; T20-N165 PolarHBondContact O-N 3.33Å; V140-N165 CarbonylContact O-C 3.58Å; V140-N165 WeakPolarHBondContact O-CA 3.35Å; V140-N165 PolarHBondContact O-OD1 3.22Å
166S95.5Very high91.6Very high1 Ų146.9 Ų46.91%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-127.5125.3177163.90000110.3F134 V135 P139 V140F134-S166 VanDerWaalsContact O-CB 3.23Å; F134-S166 WeakPolarHBondContact O-CB 3.39Å; V135-S166 WeakPolarHBondContact CG1-OG 3.21Å; P139-S166 VanDerWaalsContact CA-O 3.32Å; P139-S166 WeakPolarHBondContact CA-O 3.39Å; V140-S166 PolarHBondContact N-O 3.14Å; V140-S166 PolarHBondContact O-N 3.34Å
167V95Very high90.8Very high54 Ų5446.8 Ų46.833%0.32727%0.27SS..EExtended strand (participates in β ladder)trans-125.9136.1174-1760000109.9F17 Q18 P139F17-V167 CarbonylContact C-O 3.57Å; F17-V167 WeakPolarHBondContact CA-O 3.49Å; Q18-V167 PolarHBondContact N-O 2.96Å; Q18-V167 PolarHBondContact O-N 2.99Å; P139-V167 HydrophobicContact CB-CG2 4.45Å
168I93.4Very high89.9Confident50 Ų5044.9 Ų44.926%0.25626%0.255SS..EExtended strand (participates in β ladder)trans-80.2129176.1-160.7165000110.5A15 F17 A171A15-I168 HydrophobicContact CB-CD1 4.06Å; F17-I168 HydrophobicContact CD1-CB 3.98Å; F17-I168 HydrophobicContact CD1-CG1 4.19Å; F17-I168 HydrophobicContact CE1-CB 3.66Å; F17-I168 HydrophobicContact CE1-CD1 3.91Å; F17-I168 HydrophobicContact CE1-CG1 3.73Å; F17-I168 HydrophobicContact CZ-CD1 3.93Å; F17-I168 HydrophobicContact CZ-CG1 4.13Å; I168-A171 HydrophobicContact CD1-CB 4.01Å
169V91.6Very high88.7Confident81 Ų8145.6 Ų45.649%0.49126%0.259SS..EExtended strand (participates in β ladder)trans-106-34.9-175.6-176.60000111.6K16 Q18K16-V169 WeakPolarHBondContact O-CA 3.33Å; K16-V169 VanDerWaalsContact O-CB 3.32Å; K16-V169 WeakPolarHBondContact O-CB 3.45Å; K16-V169 PolarHBondContact O-N 2.92Å; Q18-V169 HydrophobicContact CB-CG2 3.69Å
170K89Confident87.3Confident86 Ų8647.2 Ų47.237%0.37427%0.266SS..EExtended strand (participates in β ladder)trans-153.4135.6175-178.2-166.8173.1-157.80108.7A15 K16 D178A15-K170 CarbonylContact C-O 3.55Å; A15-K170 WeakPolarHBondContact CA-O 3.35Å; K16-K170 HydrophobicContact CB-CB 4.17Å; K16-K170 PolarHBondContact N-O 3.11Å; K16-K170 PolarHBondContact O-N 3.31Å; K170-D178 IonicContact NZ-OD2 2.71Å; K170-D178 PolarHBondContact NZ-OD2 2.81Å
171A89.8Confident85.2Confident67 Ų6749.3 Ų49.355%0.55428%0.28SS*.EExtended strand (participates in β ladder)trans-120.2154166.400000109.7A14 I168A14-A171 WeakPolarHBondContact O-CA 3.3Å; I168-A171 HydrophobicContact CD1-CB 4.01Å
172G87.3Confident83.1Confident33 Ų3349.9 Ų49.934%0.3428%0.283SS..EExtended strand (participates in β ladder)trans166-158.8175.800000112.5K13 A14K13-G172 CarbonylContact C-O 3.47Å; K13-G172 VanDerWaalsContact CA-O 3.23Å; K13-G172 WeakPolarHBondContact CA-O 3.38Å; K13-G172 WeakPolarHBondContact CB-O 3.47Å; A14-G172 PolarHBondContact N-O 3.16Å; A14-G172 PolarHBondContact O-N 2.87Å
173E85Confident80.4Confident152 Ų15251.8 Ų51.871%0.7130%0.298SS*.EExtended strand (participates in β ladder)trans-75.8159.1168.7-57.7-168.2161.600111.5T175E173-T175 VanDerWaalsContact C-N 3.33Å; E173-T175 PolarHBondContact O-N 3.43Å
174A83.7Confident78.1Confident19 Ų1953.8 Ų53.816%0.15731%0.313CS..  trans-73.880.1-179.500000112.9R9 K12 A14 Y84R9-A174 HydrophobicContact CB-CB 4.38Å; K12-A174 VanDerWaalsContact O-CB 3.25Å; K12-A174 WeakPolarHBondContact O-CB 3.47Å; K12-A174 PolarHBondContact O-N 3.08Å; A14-A174 HydrophobicContact CB-CB 4.14Å; Y84-A174 HydrophobicContact CD1-CB 4.19Å; Y84-A174 HydrophobicContact CE1-CB 4.32Å
175T79.9Confident75.8Confident57 Ų5757.6 Ų57.635%0.3533%0.333SS..  trans-62.7160.517672.10000113.1E173 E177 D178 M179E173-T175 VanDerWaalsContact C-N 3.33Å; E173-T175 PolarHBondContact O-N 3.43Å; T175-E177 VanDerWaalsContact C-N 3.27Å; T175-E177 PolarHBondContact O-N 2.79Å; T175-D178 WeakPolarHBondContact O-CB 3.45Å; T175-D178 PolarHBondContact O-N 2.76Å; T175-D178 VanDerWaalsContact O-N 3.08Å; T175-D178 PolarHBondContact OG1-N 3.38Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å; T175-M179 WeakPolarHBondContact O-CG 3.3Å; T175-M179 PolarHBondContact O-N 2.98Å
176D72.4Confident73Confident81 Ų8160.2 Ų60.243%0.43334%0.344SS..Hα-helixtrans-63.6-32177.3-128-20.9000111.6R6 M179 I180R6-D176 WeakPolarHBondContact CD-OD1 3.17Å; R6-D176 IonicContact CZ-OD1 2.78Å; R6-D176 IonicContact NE-OD1 3.27Å; R6-D176 PolarHBondContact NE-OD1 3.39Å; R6-D176 IonicContact NE-OD2 2.84Å; D176-M179 HydrophobicContact CB-CE 4.44Å; D176-M179 CarbonylContact O-C 3.47Å; D176-M179 WeakPolarHBondContact O-CA 3.39Å; D176-M179 WeakPolarHBondContact O-CB 3.48Å; D176-M179 PolarHBondContact O-N 3.24Å; D176-I180 VanDerWaalsContact O-CG1 3.27Å; D176-I180 WeakPolarHBondContact O-CG1 3.43Å; D176-I180 PolarHBondContact O-N 2.86Å
177E75.4Confident70.7Confident91 Ų9163.3 Ų63.343%0.42537%0.366SS..Hα-helixtrans-61.6-42.5170.4172.455.9-159.600111.9T175 M179 I180T175-E177 VanDerWaalsContact C-N 3.27Å; T175-E177 PolarHBondContact O-N 2.79Å; E177-M179 PolarHBondContact O-N 2.76Å; E177-I180 PolarHBondContact O-N 2.81Å
178D75.8Confident68.4Low10 Ų1066.1 Ų66.15%0.05338%0.378CS..Hα-helixtrans-67.4-20173.9-74.4-64.2000112.7A14 T82 Y84 K170 T175A14-D178 HydrophobicContact CB-CB 4.12Å; T82-D178 HydrophobicContact CG2-CB 4.05Å; T82-D178 WeakPolarHBondContact CG2-OD1 3.41Å; Y84-D178 PolarHBondContact OH-O 3.49Å; K170-D178 IonicContact NZ-OD2 2.71Å; K170-D178 PolarHBondContact NZ-OD2 2.81Å; T175-D178 WeakPolarHBondContact O-CB 3.45Å; T175-D178 PolarHBondContact O-N 2.76Å; T175-D178 VanDerWaalsContact O-N 3.08Å; T175-D178 PolarHBondContact OG1-N 3.38Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å
179M71.9Confident66.3Low19 Ų1967.3 Ų67.39%0.09439%0.392CS..Hα-helixtrans-89.6-25.7172.8-66.3-165.6-81.500113.4M1 R6 R9 T175 D176 E177 S181M1-M179 HydrophobicContact CE-CB 3.99Å; M1-M179 VanDerWaalsContact CE-O 3.28Å; M1-M179 WeakPolarHBondContact CE-O 3.41Å; R6-M179 HydrophobicContact CB-CE 4.26Å; R6-M179 HydrophobicContact CB-SD 4Å; R6-M179 HydrophobicContact CG-CE 4.24Å; R6-M179 HydrophobicContact CG-SD 4.09Å; R9-M179 HydrophobicContact CB-CG 4.49Å; R9-M179 HydrophobicContact CB-SD 3.74Å; R9-M179 HydrophobicContact CG-SD 4.36Å; T175-M179 WeakPolarHBondContact O-CG 3.3Å; T175-M179 PolarHBondContact O-N 2.98Å; D176-M179 HydrophobicContact CB-CE 4.44Å; D176-M179 CarbonylContact O-C 3.47Å; D176-M179 WeakPolarHBondContact O-CA 3.39Å; D176-M179 WeakPolarHBondContact O-CB 3.48Å; D176-M179 PolarHBondContact O-N 3.24Å; E177-M179 PolarHBondContact O-N 2.76Å; M179-S181 PolarHBondContact O-N 2.81Å; M179-S181 VanDerWaalsContact O-N 3.11Å
180I66.2Low64Low63 Ų6373 Ų7332%0.32340%0.404SS..SBendtrans-66.8109.4174-72.6161.8000108.5D176 E177 I182 L185D176-I180 VanDerWaalsContact O-CG1 3.27Å; D176-I180 WeakPolarHBondContact O-CG1 3.43Å; D176-I180 PolarHBondContact O-N 2.86Å; E177-I180 PolarHBondContact O-N 2.81Å; I180-I182 PolarHBondContact O-N 2.96Å; I180-L185 HydrophobicContact CG2-CB 4.25Å; I180-L185 HydrophobicContact CG2-CD1 4.41Å
181S52.5Low62Low43 Ų4373.9 Ų73.930%0.30142%0.417SS..  trans-66128.1163.7-65.70000108.1M179 A183 S184M179-S181 PolarHBondContact O-N 2.81Å; M179-S181 VanDerWaalsContact O-N 3.11Å; S181-A183 PolarHBondContact O-N 2.9Å; S181-S184 WeakPolarHBondContact O-CA 3.31Å; S181-S184 WeakPolarHBondContact O-CB 3.49Å; S181-S184 PolarHBondContact O-N 2.88Å
182I53.2Low59.4Low82 Ų8273.7 Ų73.742%0.42142%0.421SS..Hα-helixtrans-49.4-29.7178.8-61.1169.3000112.4I180 S184 L185 M186I180-I182 PolarHBondContact O-N 2.96Å; I182-S184 VanDerWaalsContact C-N 3.29Å; I182-S184 PolarHBondContact O-N 3.41Å; I182-L185 WeakPolarHBondContact O-CB 3.44Å; I182-L185 PolarHBondContact O-N 2.9Å; I182-L185 VanDerWaalsContact O-N 3.14Å; I182-M186 HydrophobicContact CG2-CG 4.2Å; I182-M186 WeakPolarHBondContact O-CB 3.38Å; I182-M186 WeakPolarHBondContact O-CG 3.35Å; I182-M186 PolarHBondContact O-N 3.18Å
183A40Very low57Low40 Ų4076.8 Ų76.833%0.33144%0.438SS..Hα-helixtrans-59.3-31.9172.500000114.4S181 M186 S187S181-A183 PolarHBondContact O-N 2.9Å; A183-M186 CarbonylContact O-C 3.51Å; A183-S187 PolarHBondContact O-N 2.9Å; A183-S187 VanDerWaalsContact O-N 3.16Å; A183-S187 PolarHBondContact O-OG 2.86Å
184S50Low54.5Low48 Ų4878.5 Ų78.534%0.33644%0.443SS..Hα-helixtrans-76-37.1171.6-68.10000112.2S181 I182 M186 S187 L188S181-S184 WeakPolarHBondContact O-CA 3.31Å; S181-S184 WeakPolarHBondContact O-CB 3.49Å; S181-S184 PolarHBondContact O-N 2.88Å; I182-S184 VanDerWaalsContact C-N 3.29Å; I182-S184 PolarHBondContact O-N 3.41Å; S184-M186 VanDerWaalsContact C-N 3.32Å; S184-M186 PolarHBondContact O-N 3.37Å; S184-S187 WeakPolarHBondContact O-CA 3.29Å; S184-S187 WeakPolarHBondContact O-CB 3.45Å; S184-S187 PolarHBondContact O-N 3.46Å; S184-L188 WeakPolarHBondContact O-CG 3.4Å; S184-L188 PolarHBondContact O-N 3.03Å
185L46.9Very low52.3Low82 Ų8284.9 Ų84.943%0.42948%0.475SS..Hα-helixtrans-59.9-46.3171.4-157.475.8000110.3I180 I182 S187 L188 S189I180-L185 HydrophobicContact CG2-CB 4.25Å; I180-L185 HydrophobicContact CG2-CD1 4.41Å; I182-L185 WeakPolarHBondContact O-CB 3.44Å; I182-L185 PolarHBondContact O-N 2.9Å; I182-L185 VanDerWaalsContact O-N 3.14Å; L185-S187 PolarHBondContact O-N 3.32Å; L185-S187 VanDerWaalsContact O-N 3.14Å; L185-L188 PolarHBondContact O-N 3.2Å; L185-S189 PolarHBondContact O-N 2.87Å; L185-S189 PolarHBondContact O-OG 3.4Å
186M39.2Very low50.2Low105 Ų10589.3 Ų89.352%0.51750%0.501SS..Hα-helixtrans-69.72.8171-70.2-71.9-171.500115I182 A183 S184 R190I182-M186 HydrophobicContact CG2-CG 4.2Å; I182-M186 WeakPolarHBondContact O-CB 3.38Å; I182-M186 WeakPolarHBondContact O-CG 3.35Å; I182-M186 PolarHBondContact O-N 3.18Å; A183-M186 CarbonylContact O-C 3.51Å; S184-M186 VanDerWaalsContact C-N 3.32Å; S184-M186 PolarHBondContact O-N 3.37Å; M186-R190 PolarHBondContact O-NE 3.2Å
187S47.2Very low48.2Very low66 Ų6688.5 Ų88.546%0.46251%0.512SS..Hα-helixtrans-104.5-42.6168.5-58.30000110.6A183 S184 L185 S189 R190A183-S187 PolarHBondContact O-N 2.9Å; A183-S187 VanDerWaalsContact O-N 3.16Å; A183-S187 PolarHBondContact O-OG 2.86Å; S184-S187 WeakPolarHBondContact O-CA 3.29Å; S184-S187 WeakPolarHBondContact O-CB 3.45Å; S184-S187 PolarHBondContact O-N 3.46Å; L185-S187 PolarHBondContact O-N 3.32Å; L185-S187 VanDerWaalsContact O-N 3.14Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 3.34Å; S187-R190 WeakPolarHBondContact O-CB 3.47Å; S187-R190 PolarHBondContact O-N 3.48Å
188L45.6Very low46.2Very low113 Ų11390.3 Ų90.359%0.59254%0.535SS*.Hα-helixtrans-59.8-39.7174.8-68.5165.7000111.6S184 L185 R190 T191S184-L188 WeakPolarHBondContact O-CG 3.4Å; S184-L188 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.2Å; L188-R190 PolarHBondContact O-N 3.22Å; L188-R190 VanDerWaalsContact O-N 3.1Å; L188-T191 PolarHBondContact O-N 2.98Å; L188-T191 VanDerWaalsContact O-N 3.09Å; L188-T191 PolarHBondContact O-OG1 2.86Å; L188-T191 VanDerWaalsContact O-OG1 3.11Å
189S49.1Very low44.1Very low76 Ų7693.7 Ų93.753%0.53157%0.573SS.*THydrogen-bonded Turntrans-64.4-11.1174.462.50000114.7L185 S187L185-S189 PolarHBondContact O-N 2.87Å; L185-S189 PolarHBondContact O-OG 3.4Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 3.34Å
190R45.2Very low42.3Very low200 Ų20099 Ų9976%0.75561%0.606SS**THydrogen-bonded Turntrans-100.7-4.3175.5-54.6-177.2-157.9-115.2-7.5113.5M186 S187 L188M186-R190 PolarHBondContact O-NE 3.2Å; S187-R190 WeakPolarHBondContact O-CB 3.47Å; S187-R190 PolarHBondContact O-N 3.48Å; L188-R190 PolarHBondContact O-N 3.22Å; L188-R190 VanDerWaalsContact O-N 3.1Å
191T45.2Very low41.1Very low104 Ų104101.4 Ų101.464%0.63862%0.623SS**SBendtrans-117.27-176.3560000113.5L188L188-T191 PolarHBondContact O-N 2.98Å; L188-T191 VanDerWaalsContact O-N 3.09Å; L188-T191 PolarHBondContact O-OG1 2.86Å; L188-T191 VanDerWaalsContact O-OG1 3.11Å
192G36.8Very low40.3Very low63 Ų63107.5 Ų107.565%0.64965%0.651SS**SBendtrans-134.618.2-172.400000115.7
193S36.6Very low39.6Very low99 Ų99110.1 Ų110.169%0.69267%0.666SS**  trans-138.891.5173.3-167.80000111.1
194F32.4Very low39.3Very low188 Ų188116 Ų11683%0.82569%0.692SS**  trans-113.845.3166.441.7-97.3000109.5
195N38.1Very low38.6Very low153 Ų153121.9 Ų121.982%0.81872%0.718SS**  trans-84.5135.4172.9-13031.3000109.9
196V35.1Very low37.8Very low149 Ų149121.6 Ų121.690%0.90374%0.735SS**SBendtrans-75.8126.5-174.6177.20000110.8
197G30.9Very low37.3Very low64 Ų64120.1 Ų120.166%0.6675%0.747SS**SBendtrans128.9136.416900000114.8
198S33.4Very low36.5Very low129 Ų129123.9 Ų123.990%0.90277%0.767SS**  trans48.792173-71.80000117.5
199G30.5Very low35.9Very low82 Ų82123.6 Ų123.685%0.84578%0.78SS**  trans-81.7123.5165.300000112.5
200V34.9Very low35.1Very low130 Ų130123.8 Ų123.879%0.78879%0.787SS**  trans-127.7112.4156.6179.30000107.9
201T39.8Very low34.5Very low114 Ų114124.7 Ų124.770%0.69980%0.797SS**  trans-83128.1168.8530000109.1N203T201-N203 PolarHBondContact O-N 3.03Å
202I36.6Very low33.7Very low171 Ų171124.7 Ų124.788%0.87780%0.801SS**  trans-77.677.2174.7-53.3178.9000108.9
203N37.8Very low33.5Very low137 Ų137127.4 Ų127.473%0.73381%0.807SS**  trans-111.8161.7160.1-79-7.1000108.2T201 L205T201-N203 PolarHBondContact O-N 3.03Å; N203-L205 PolarHBondContact O-N 3.12Å
204D33.1Very low33.4Very low164 Ų164128.6 Ų128.688%0.87781%0.81SS**  trans-52.6125.3-175-54.8-86.3000114.4
205L35.8Very low33.4Very low170 Ų170125.9 Ų125.989%0.8981%0.81SS**  trans-148.8125.3149.8-152.869.4000111N203N203-L205 PolarHBondContact O-N 3.12Å
206G29.6Very low33.3Very low76 Ų76123 Ų12378%0.78481%0.807SS**  trans-72.1133.8165.500000109.4
207G28.6Very low32.9Very low74 Ų74126.3 Ų126.376%0.76380%0.803SS**  trans-85.6166.8-171.200000114.9
208V31.3Very low33Very low146 Ų146130.6 Ų130.689%0.88581%0.81SS**  trans-152.6150.3150.2-92.60000109.1
209A34.1Very low32.9Very low106 Ų106127.7 Ų127.788%0.87679%0.794SS**  trans64.5149.1171.700000118
210A30.9Very low33.1Very low81 Ų81131.7 Ų131.767%0.66979%0.79SS**  trans-104.2167.8173.200000110.4
211F33.8Very low33.1Very low218 Ų218130.2 Ų130.296%0.95678%0.782SS**  -170.8171.4124.2-91.4-56.6000110.8
212S28.7Very low32.8Very low104 Ų104131.8 Ų131.873%0.72779%0.786SS**  trans-84148.9-160.6-167.70000114.9
213P31.5Very low32.9Very low120 Ų120129.5 Ų129.578%0.77978%0.775SS**  trans-88.7142.4171.634.7-33.5000113
214T35.7Very low32.9Very low124 Ų124131 Ų13176%0.76178%0.776SS**  trans-142.3101172-51.30000112.2
215T32.1Very low32.9Very low132 Ų132130.2 Ų130.281%0.8177%0.772SS**  trans43.4139.3137.2-28.70000123
216A35Very low32.9Very low92 Ų92127.1 Ų127.176%0.7676%0.764SS**  trans83.7156.8150.600000120.5
217R27.8Very low33.2Very low219 Ų219132.5 Ų132.583%0.82677%0.768SS**  cis-176.3149.7-35.1-160.1-179.5-170-175.33.7108.5
218L31.4Very low33.2Very low153 Ų153133.7 Ų133.780%0.80177%0.765SS**  trans65.3165.2172.1-63.2124.2000115.6
219A31.9Very low33.5Very low69 Ų69137 Ų13757%0.5777%0.768SS**  cis-172.3-172.1-35.100000109.2
220H34.2Very low33.3Very low166 Ų166136.8 Ų136.877%0.76976%0.76SS**  trans77.7107.4167.7-72.1-72.6000117.3
221T34.9Very low33.5Very low98 Ų98139.7 Ų139.760%0.60176%0.764SS**  87.3128.866.256.60000113.3
222D34.8Very low33.6Very low147 Ų147133.4 Ų133.479%0.78675%0.747SS**  cis-139.9-122.5-15.7-85.8-44.6000109.5
223D37.2Very low34.3Very low123 Ų123132.6 Ų132.666%0.65874%0.738SS**  cis-164.5178-3.5-159.3-2.8000111.2
224F39.6Very low34.8Very low169 Ų169135 Ų13574%0.74174%0.737SS**  trans70.188.9167-67.5-67.6000121.1
225N31.5Very low35.1Very low148 Ų148135.9 Ų135.979%0.79173%0.732SS**  29.1125.8123.7-83.7-34.8000120.6
226S36.7Very low36Very low104 Ų104133.6 Ų133.673%0.72772%0.718SS**  -169.1118.8109.632.70000114.7
227H36.3Very low36.8Very low189 Ų189133.1 Ų133.188%0.87570%0.703SS**  trans53150.4153.4-60.7-68.4000122.3
228S28.7Very low38.3Very low100 Ų100128 Ų12870%0.69969%0.691SS**  trans-112.1152.6-162.251.40000113.8
229F36.1Very low39.8Very low215 Ų215123.7 Ų123.794%0.94367%0.674SS**  trans-132.1128.1146.5-82.1-77.7000109
230S29.6Very low41.4Very low101 Ų101125.4 Ų125.471%0.70667%0.67SS**  trans-83.7131-168.639.80000112.8
231N36.4Very low42.7Very low143 Ų143122.5 Ų122.577%0.76566%0.659SS**  trans-137.410.2172.9-98.3-38.7000112.6
232S36.1Very low44.1Very low85 Ų85120.7 Ų120.759%0.59465%0.648SS**  trans-76.2-28.4-169.7400000114.9F234 H235S232-F234 VanDerWaalsContact C-N 3.32Å; S232-F234 PolarHBondContact O-N 2.99Å; S232-H235 PolarHBondContact O-N 3.29Å; S232-H235 VanDerWaalsContact O-N 3.12Å
233T42.6Very low45.7Very low87 Ų87116.2 Ų116.253%0.53463%0.632SS.*Hα-helixtrans-57.5-38.2-167.4-31.80000113.9H235 T236T233-H235 PolarHBondContact O-N 3.02Å; T233-T236 PolarHBondContact O-OG1 2.95Å
234F41.3Very low47.3Very low171 Ų171115.4 Ų115.475%0.7562%0.622SS**Hα-helixtrans-69.5-16.3-177.5-69.1-72.6000114.6S232S232-F234 VanDerWaalsContact C-N 3.32Å; S232-F234 PolarHBondContact O-N 2.99Å
235H42.9Very low48.2Very low142 Ų142112.9 Ų112.966%0.65762%0.616SS**Hα-helixtrans-95.7-28-176.4-152.6-69.6000113.3S232 T233 S239S232-H235 PolarHBondContact O-N 3.29Å; S232-H235 VanDerWaalsContact O-N 3.12Å; T233-H235 PolarHBondContact O-N 3.02Å; H235-S239 WeakPolarHBondContact O-CB 3.31Å; H235-S239 PolarHBondContact O-N 2.91Å; H235-S239 PolarHBondContact O-OG 3.3Å
236T51.1Low49.4Very low84 Ų84112 Ų11252%0.51561%0.607SS.*Hα-helixtrans-62.8-52169.4330000110.5T233 L238 S239 E240T233-T236 PolarHBondContact O-OG1 2.95Å; T236-L238 VanDerWaalsContact C-N 3.31Å; T236-L238 PolarHBondContact O-N 3.31Å; T236-S239 WeakPolarHBondContact O-CA 3.46Å; T236-S239 WeakPolarHBondContact O-CB 3.46Å; T236-S239 PolarHBondContact O-N 3.4Å; T236-E240 PolarHBondContact O-N 3.07Å
237D52.8Low50.3Low83 Ų83110.5 Ų110.544%0.44460%0.596SS.*Hα-helixtrans-60.1-39.7-173.7-59.910.4000112.5L241D237-L241 VanDerWaalsContact O-CB 3.29Å; D237-L241 WeakPolarHBondContact O-CB 3.23Å; D237-L241 WeakPolarHBondContact O-CG 3.07Å; D237-L241 PolarHBondContact O-N 2.92Å
238L58.7Low50.9Low112 Ų112107.4 Ų107.459%0.58659%0.586SS**Hα-helixtrans-71.4-34.4178.3-143.6173.8000111.6T236 T242T236-L238 VanDerWaalsContact C-N 3.31Å; T236-L238 PolarHBondContact O-N 3.31Å; L238-T242 WeakPolarHBondContact O-CB 3.37Å; L238-T242 PolarHBondContact O-N 2.79Å; L238-T242 PolarHBondContact O-OG1 2.88Å
239S62.6Low51.9Low62 Ų62110.9 Ų110.943%0.43459%0.591SS.*Hα-helixtrans-69.5-43.7175.3-53.30000110.6H235 T236 T242 A243H235-S239 WeakPolarHBondContact O-CB 3.31Å; H235-S239 PolarHBondContact O-N 2.91Å; H235-S239 PolarHBondContact O-OG 3.3Å; T236-S239 WeakPolarHBondContact O-CA 3.46Å; T236-S239 WeakPolarHBondContact O-CB 3.46Å; T236-S239 PolarHBondContact O-N 3.4Å; S239-T242 PolarHBondContact O-N 2.87Å; S239-A243 PolarHBondContact O-N 2.78Å
240E66.1Low52.1Low104 Ų104111.2 Ų111.249%0.48659%0.586SS.*Hα-helixtrans-67.7-40.1177.3-163.5-174.9148.700112.1T236 T242 A243 K244T236-E240 PolarHBondContact O-N 3.07Å; E240-T242 VanDerWaalsContact C-N 3.31Å; E240-T242 PolarHBondContact O-N 3.34Å; E240-A243 PolarHBondContact O-N 3.5Å; E240-K244 HydrophobicContact CG-CD 4.38Å; E240-K244 WeakPolarHBondContact O-CB 3.33Å; E240-K244 WeakPolarHBondContact O-CG 3.13Å; E240-K244 PolarHBondContact O-N 2.84Å; E240-K244 WeakPolarHBondContact OE1-CE 3.24Å; E240-K244 IonicContact OE1-NZ 2.88Å; E240-K244 PolarHBondContact OE1-NZ 3.25Å
241L61.4Low52.4Low105 Ų105116.3 Ų116.355%0.5559%0.59SS.*Hα-helixtrans-61.1-39171.4-83166.9000112.1D237 K244 L245D237-L241 VanDerWaalsContact O-CB 3.29Å; D237-L241 WeakPolarHBondContact O-CB 3.23Å; D237-L241 WeakPolarHBondContact O-CG 3.07Å; D237-L241 PolarHBondContact O-N 2.92Å; L241-K244 PolarHBondContact O-N 3.42Å; L241-L245 WeakPolarHBondContact O-CG 3.24Å; L241-L245 PolarHBondContact O-N 2.81Å
242T64.5Low52.3Low61 Ų61115.8 Ų115.837%0.37458%0.583SS.*Hα-helixtrans-65.4-43.1176.3-56.20000111L238 S239 E240 L245 Q246L238-T242 WeakPolarHBondContact O-CB 3.37Å; L238-T242 PolarHBondContact O-N 2.79Å; L238-T242 PolarHBondContact O-OG1 2.88Å; S239-T242 PolarHBondContact O-N 2.87Å; E240-T242 VanDerWaalsContact C-N 3.31Å; E240-T242 PolarHBondContact O-N 3.34Å; T242-L245 PolarHBondContact O-N 2.91Å; T242-Q246 WeakPolarHBondContact O-CG 3.32Å; T242-Q246 PolarHBondContact O-N 3.33Å
243A68.5Low52.4Low53 Ų53120.1 Ų120.144%0.43860%0.597SS.*Hα-helixtrans-66.3-36.6174.900000113.1S239 E240 Q246 S247S239-A243 PolarHBondContact O-N 2.78Å; E240-A243 PolarHBondContact O-N 3.5Å; A243-Q246 PolarHBondContact O-N 2.93Å; A243-S247 WeakPolarHBondContact O-CB 3.2Å; A243-S247 PolarHBondContact O-N 2.96Å; A243-S247 PolarHBondContact O-OG 3.44Å
244K69Low52Low105 Ų105121.1 Ų121.146%0.45760%0.599SS.*Hα-helixtrans-66.6-37.9174.3-77.5174.4-179170.70112.3E240 L241 S247 L248E240-K244 HydrophobicContact CG-CD 4.38Å; E240-K244 WeakPolarHBondContact O-CB 3.33Å; E240-K244 WeakPolarHBondContact O-CG 3.13Å; E240-K244 PolarHBondContact O-N 2.84Å; E240-K244 WeakPolarHBondContact OE1-CE 3.24Å; E240-K244 IonicContact OE1-NZ 2.88Å; E240-K244 PolarHBondContact OE1-NZ 3.25Å; L241-K244 PolarHBondContact O-N 3.42Å; K244-S247 WeakPolarHBondContact CA-OG 3.3Å; K244-S247 PolarHBondContact O-OG 2.75Å; K244-L248 WeakPolarHBondContact O-CB 3.46Å; K244-L248 WeakPolarHBondContact O-CG 3.39Å; K244-L248 PolarHBondContact O-N 2.88Å; K244-L248 VanDerWaalsContact O-N 3.07Å
245L58.7Low51.6Low117 Ų117118.7 Ų118.761%0.61360%0.601SS**Hα-helixtrans-67-46173.1-72.5168.6000111.7L241 T242 S247 L248 E249L241-L245 WeakPolarHBondContact O-CG 3.24Å; L241-L245 PolarHBondContact O-N 2.81Å; T242-L245 PolarHBondContact O-N 2.91Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 3.48Å; L245-L248 PolarHBondContact O-N 3.5Å; L245-E249 PolarHBondContact O-N 3.37Å
246Q56.6Low51.3Low130 Ų130120.5 Ų120.561%0.60761%0.614SS**Hα-helixtrans-66.7-23.4178.5-72.7179.1-22.400114.2T242 A243T242-Q246 WeakPolarHBondContact O-CG 3.32Å; T242-Q246 PolarHBondContact O-N 3.33Å; A243-Q246 PolarHBondContact O-N 2.93Å
247S57.3Low50.4Low71 Ų71122.8 Ų122.850%0.49763%0.628SS.*Hα-helixtrans-87.9-23.5173.448.40000113.6A243 K244 L245A243-S247 WeakPolarHBondContact O-CB 3.2Å; A243-S247 PolarHBondContact O-N 2.96Å; A243-S247 PolarHBondContact O-OG 3.44Å; K244-S247 WeakPolarHBondContact CA-OG 3.3Å; K244-S247 PolarHBondContact O-OG 2.75Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 3.48Å
248L48.9Very low49.5Very low125 Ų125128.2 Ų128.265%0.65465%0.651SS**Hα-helixtrans-69.7-32.7168.3-83.9162.5000112.5K244 L245 R250K244-L248 WeakPolarHBondContact O-CB 3.46Å; K244-L248 WeakPolarHBondContact O-CG 3.39Å; K244-L248 PolarHBondContact O-N 2.88Å; K244-L248 VanDerWaalsContact O-N 3.07Å; L245-L248 PolarHBondContact O-N 3.5Å; L248-R250 PolarHBondContact O-N 3.39Å; L248-R250 VanDerWaalsContact O-N 3.14Å
249E49.1Very low48.2Very low172 Ų172127.8 Ų127.880%0.80466%0.657SS**THydrogen-bonded Turntrans-733178.4-158.1169.7-159.200114L245L245-E249 PolarHBondContact O-N 3.37Å
250R41Very low46.7Very low223 Ų223130.9 Ų130.984%0.84268%0.676SS**THydrogen-bonded Turntrans-117.511.4-174-96.1-170.6174.2-141.8-1.7116.5L248L248-R250 PolarHBondContact O-N 3.39Å; L248-R250 VanDerWaalsContact O-N 3.14Å
251R36.1Very low45.3Very low207 Ų207134 Ų13478%0.78169%0.694SS**  trans-99.294178.4-81.3-173167.2140.9-0.7114
252Q33.8Very low43.8Very low133 Ų133138.4 Ų138.462%0.62171%0.709SS**  trans50.4113.9141.9-63.5175.4-92.600119.7D254Q252-D254 PolarHBondContact NE2-OD1 2.92Å; Q252-D254 PolarHBondContact NE2-OD2 3.21Å
253I38Very low42.1Very low175 Ų175139.6 Ų139.690%0.89773%0.725SS**  trans-119.2113.9131.2-60.9176.6000104.9
254D34.2Very low40.3Very low108 Ų108145.3 Ų145.358%0.57875%0.748SS**  trans-84.2136.5-173-61.2-46.8000111.6Q252Q252-D254 PolarHBondContact NE2-OD1 2.92Å; Q252-D254 PolarHBondContact NE2-OD2 3.21Å
255P31.9Very low38.6Very low121 Ų121143.8 Ų143.879%0.78676%0.763SS**  trans-87.4108.8177.832.8-31.4000111.2
256L36.5Very low37.1Very low179 Ų179146.1 Ų146.194%0.93778%0.775SS**  trans-80.6140.3170-78.6174.2000111.8
257V32.7Very low35.9Very low133 Ų133148.4 Ų148.481%0.80678%0.784SS**  trans-107.4129.2-178172.30000109
258E33.7Very low34.7Very low196 Ų196149 Ų14992%0.91679%0.788SS**  trans-155.4164.6147.9-124.5165.7-164.200112.2
259S31.1Very low33.8Very low103 Ų103149.2 Ų149.272%0.7279%0.79SS**  trans-120164.4-158.761.40000113
260P32.6Very low32.9Very low128 Ų128152.5 Ų152.583%0.83180%0.796SS**  trans-90.4138.2-15833.8-35000114.8
261I35.1Very low32.3Very low170 Ų170146.8 Ų146.887%0.87279%0.791SS**  trans-126.2153.8168.3-62.5-176.3000109.8
262K30.9Very low32Very low196 Ų196142.3 Ų142.385%0.85279%0.791SS**  trans-96.1152.6-165.2-60.2171.7-177.9172.90113.6
263A29.1Very low32.1Very low86 Ų86144.4 Ų144.471%0.71180%0.801SS**  trans13.5125.4147.900000120
264N30.4Very low32.1Very low173 Ų173143 Ų14393%0.92580%0.795SS**  -176.9161.3114.1-90.7-22.4000111.2
265G33.6Very low31.9Very low74 Ų74143.6 Ų143.676%0.76380%0.798SS**  trans108.793.6162.800000116.3
266N26.8Very low31.9Very low165 Ų165144 Ų14488%0.88279%0.794SS**  trans-72.2159.3154.5-60.7-20.8000109.4
267F30.4Very low31.8Very low179 Ų179141 Ų14179%0.78579%0.787SS**  158.9128.7108.8-173.3-109.8000113
268S33Very low31.6Very low84 Ų84144.5 Ų144.559%0.58779%0.792SS**  trans60.4167.6161.471.80000119.1
269D30.4Very low31.6Very low128 Ų128145 Ų14568%0.68479%0.79SS**  cis-166135.8-48.3-94.5-46.5000106.3
270Y30.5Very low31.5Very low241 Ų241145 Ų14595%0.94579%0.79SS**  trans-156.5121.3154.1-98.5-68.7000109.6
271S28.1Very low31.6Very low103 Ų103146.4 Ų146.472%0.7279%0.79SS**  trans-134.9150.8179.7-73.80000111.6
272S30.3Very low31.2Very low114 Ų114145.2 Ų145.280%0.79779%0.786SS**  trans56110.7150.860.60000120.9
273E35.1Very low31.1Very low177 Ų177141.7 Ų141.783%0.82779%0.786SS**  trans-145.8162.1147.4-72.9-161.7111.100107.3
274L36.7Very low31.1Very low145 Ų145142.9 Ų142.976%0.75979%0.789SS**  cis-165.4178.2-28.2-93.8-179.5000104.9
275D30.9Very low31.3Very low121 Ų121143.4 Ų143.465%0.64778%0.783SS**  -158.2178.7-68.2176.239.4000107.8
276N32Very low31.1Very low130 Ų130145.8 Ų145.870%0.69578%0.778SS**  trans81.5148.4170.1-56.4-86.7000116
277S34.3Very low31.4Very low114 Ų114145.8 Ų145.880%0.79777%0.773SS**  cis-136154.211.3-63.60000113.8
278K28.5Very low31.5Very low208 Ų208144.5 Ų144.590%0.90477%0.774SS**  trans-120.3128.6160.1-76.8177.4177.8171.60111.2
279K34.2Very low31.5Very low205 Ų205145 Ų14589%0.89178%0.778SS**  trans-144.4122.1152.8-73.8-177.6177.7172.30106
280S28.9Very low31.5Very low103 Ų103146.4 Ų146.472%0.7278%0.784SS**  cis74.199.947.2-166.70000113.2
281L34.3Very low31.3Very low158 Ų158139 Ų13983%0.82777%0.768SS**  -174.6161.1105.8-107.6136.6000113.2
282N26.1Very low31.3Very low145 Ų145139 Ų13978%0.77577%0.767SS**  trans-78.6157.4-173.7-48.3-40.6000113.1
283S29.6Very low31.4Very low123 Ų123138.7 Ų138.786%0.8676%0.761SS**  177.7159.6109.445.20000113.3
284S29.6Very low31.5Very low110 Ų110135.7 Ų135.777%0.76976%0.755SS**  trans-87.5152.2-172.8-32.60000113.5
285K33.5Very low31.2Very low185 Ų185135.3 Ų135.380%0.80475%0.754SS**  -174.6143121-101.9159.7-175.3179.30114
286N30.9Very low31.3Very low124 Ų124135.8 Ų135.866%0.66376%0.756SS**  trans38.3114136.6-60.327.7000118.1
287Q32.2Very low31.5Very low165 Ų165136.1 Ų136.177%0.77176%0.755SS**  87160.971.4-83.4-177.2-24.900113
288D33.3Very low31.6Very low152 Ų152137.9 Ų137.981%0.81376%0.755SS**  trans70141175.6-53-31000117.3
289S33.2Very low31.9Very low95 Ų95133.8 Ų133.866%0.66475%0.752SS**  cis-162.3167.1-2155.30000111.6
290L29.1Very low31.7Very low157 Ų157133.2 Ų133.282%0.82275%0.75SS**  trans11151.3135.3-58.6169.4000119.6
291S26.5Very low31.9Very low85 Ų85133.9 Ų133.959%0.59475%0.752SS**  cis-176.1172.5-10.154.30000110.2
292S27.5Very low31.7Very low102 Ų102131.7 Ų131.771%0.71375%0.747SS**  trans63.4171.4152.859.50000115.6
293T32.8Very low31.7Very low109 Ų109132.5 Ų132.567%0.66975%0.75SS**  cis-160.812835.3-47.60000112
294V38.2Very low31.7Very low113 Ų113131.9 Ų131.969%0.68574%0.742SS**  trans52134.6157.9-53.40000122.5
295D29.3Very low31.4Very low138 Ų138132.1 Ų132.174%0.73874%0.744SS**  32.5151.5112-37.5-58.4000119.2
296D33.9Very low31.4Very low130 Ų130132.4 Ų132.470%0.69575%0.746SS**  cis-168.6174.439.3-163.312.1000114.1
297M36.1Very low31.1Very low138 Ų138129.1 Ų129.168%0.6874%0.741SS**  trans50.7111.9155.4-76.4-58.2138.100123.2
298L35.1Very low31Very low151 Ų151130.6 Ų130.679%0.79175%0.745SS**  73.7103.5112.8-161.375.4000121.1
299S34.7Very low30.7Very low121 Ų121129.5 Ų129.585%0.84674%0.744SS**  -176.4154.6111.544.40000113.8
300K31Very low30.6Very low193 Ų193132.4 Ų132.484%0.83975%0.749SS**  trans-111.2151.2175.3-146.3179.2-171.8172.90107.5
301P33.8Very low30.7Very low118 Ų118130.7 Ų130.777%0.76675%0.747SS**  -144.8-14096.439.2-18.3000112.5
302P29.6Very low30.7Very low112 Ų112134.3 Ų134.373%0.72776%0.76SS**  -124.5179.5-12135.1-12.6000116.8
303I25.8Very low31.2Very low162 Ų162134.8 Ų134.883%0.83176%0.763SS**  trans-52.8128.4-178.9-58152.6000113.6
304P29.8Very low31.2Very low109 Ų109135.8 Ų135.871%0.70877%0.774SS**  trans-104.7108.9160.734-25.1000111.6F306P304-F306 PolarHBondContact O-N 3.14Å
305S24Very low30.9Very low116 Ų116133.1 Ų133.181%0.81177%0.77SS**  trans-8195.3170.857.90000111.3
306F32.5Very low31.1Very low190 Ų190135.6 Ų135.683%0.83378%0.782SS**  trans-124.6136171.8-96.9-112.5000109.4P304P304-F306 PolarHBondContact O-N 3.14Å
307G25.1Very low31.2Very low55 Ų55137.4 Ų137.457%0.56778%0.784SS**  cis9988.9-1.300000113.3
308K29.8Very low31.2Very low197 Ų197135 Ų13586%0.85778%0.779SS**  trans68.7154.4-167.4-49.1172.2175.1170.70112.4
309T27.5Very low31.7Very low128 Ų128133.2 Ų133.279%0.78577%0.769SS**  cis-140.9142.28.1-37.60000110.3
310M29.7Very low32.4Very low157 Ų157130.5 Ų130.577%0.77375%0.75SS**  trans-81.6141167.6-66.2-157.181.500111.5N312M310-N312 PolarHBondContact O-N 3.2Å
311P31.7Very low33.7Very low121 Ų121124.4 Ų124.479%0.78673%0.729SS**  trans-74.890169.630.9-33.4000110.5S313P311-S313 PolarHBondContact O-N 3.16Å
312N26.7Very low35.5Very low161 Ų161123.4 Ų123.486%0.86171%0.714SS**  trans-69.190.4172-90.5-14.7000111.1M310M310-N312 PolarHBondContact O-N 3.2Å
313S37.5Very low37.9Very low111 Ų111120.1 Ų120.178%0.77669%0.694SS**  trans-105.892.416670.20000110.7P311 G315P311-S313 PolarHBondContact O-N 3.16Å; S313-G315 PolarHBondContact O-N 2.96Å
314S34.1Very low40.9Very low130 Ų130116.4 Ų116.491%0.90967%0.669SS**  trans-65.9113.5175.254.70000111.3
315G31.8Very low43.6Very low58 Ų58117.8 Ų117.860%0.59866%0.661SS**  trans-157.1124.5175.400000111.3S313 K317S313-G315 PolarHBondContact O-N 2.96Å; G315-K317 PolarHBondContact O-N 3.36Å; G315-K317 VanDerWaalsContact O-N 3.1Å
316L33.6Very low46.7Very low189 Ų189113.1 Ų113.199%0.9963%0.627SS**  trans-64.7107.5178.2-69.2162.4000109.8
317K34.4Very low49.6Very low169 Ų169104.1 Ų104.174%0.73559%0.588SS**  trans-87.3148.9172-70.3-177.5179.61790110G315 T321G315-K317 PolarHBondContact O-N 3.36Å; G315-K317 VanDerWaalsContact O-N 3.1Å; K317-T321 HydrophobicContact CB-CG2 4.3Å
318P37.4Very low52.9Low88 Ų88102.7 Ų102.757%0.57157%0.567SS**  trans-68154.2-174.628.2-35.8000112.6S320 T321P318-S320 PolarHBondContact O-N 2.98Å; P318-T321 PolarHBondContact O-N 3.31Å; P318-T321 PolarHBondContact O-OG1 2.86Å
319I45.9Very low55.8Low112 Ų11295.4 Ų95.457%0.57454%0.537SS*.THydrogen-bonded Turntrans-57.2-21.9-172.9-75.1165.7000113.8T321 Q322I319-T321 PolarHBondContact O-N 2.85Å; I319-T321 VanDerWaalsContact O-N 3.12Å; I319-Q322 VanDerWaalsContact O-CB 3.27Å; I319-Q322 WeakPolarHBondContact O-CB 3.46Å; I319-Q322 PolarHBondContact O-N 2.9Å
320S48Very low59Low64 Ų6489.5 Ų89.545%0.44850%0.501SS..Hα-helixtrans-58.1-21.4171570000114.5P318 Q322P318-S320 PolarHBondContact O-N 2.98Å; S320-Q322 VanDerWaalsContact C-N 3.33Å
321T58.2Low62Low66 Ų6682 Ų8241%0.40546%0.464SS..Hα-helixtrans-74.6-22.9170.961.40000113.1K317 P318 I319 Y325K317-T321 HydrophobicContact CB-CG2 4.3Å; P318-T321 PolarHBondContact O-N 3.31Å; P318-T321 PolarHBondContact O-OG1 2.86Å; I319-T321 PolarHBondContact O-N 2.85Å; I319-T321 VanDerWaalsContact O-N 3.12Å; T321-Y325 VanDerWaalsContact O-CB 3.29Å; T321-Y325 WeakPolarHBondContact O-CB 3.46Å; T321-Y325 PolarHBondContact O-N 2.82Å
322Q72.2Confident65Low97 Ų9779.9 Ų79.945%0.45344%0.443SS..Hα-helixtrans-73.9-43.7-176.1-171.459.739.400112.1I319 S320 Y325 D326I319-Q322 VanDerWaalsContact O-CB 3.27Å; I319-Q322 WeakPolarHBondContact O-CB 3.46Å; I319-Q322 PolarHBondContact O-N 2.9Å; S320-Q322 VanDerWaalsContact C-N 3.33Å; Q322-Y325 PolarHBondContact O-N 2.67Å; Q322-D326 WeakPolarHBondContact O-CB 3.23Å; Q322-D326 PolarHBondContact O-N 3.02Å
323S81.1Confident68.1Low42 Ų4275.3 Ų75.329%0.29442%0.418SS..Hα-helixtrans-68.5-36.4175.956.50000112.2L327S323-L327 WeakPolarHBondContact O-CB 3.48Å; S323-L327 PolarHBondContact O-N 3.21Å
324R87.3Confident70.7Confident85 Ų8570.2 Ų70.232%0.32138%0.382SS..Hα-helixtrans-60.3-45.2170-175.7174.7178.2170.24.2111.7L328 L346 L412 M416R324-L328 WeakPolarHBondContact O-CB 3.23Å; R324-L328 PolarHBondContact O-N 3.17Å; R324-L346 HydrophobicContact CG-CD1 3.97Å; R324-L412 VanDerWaalsContact CZ-CD1 3.45Å; R324-M416 HydrophobicContact CB-CE 3.79Å; R324-M416 HydrophobicContact CB-SD 3.98Å; R324-M416 HydrophobicContact CG-CE 4.24Å; R324-M416 HydrophobicContact CG-SD 3.83Å
325Y88.1Confident73.4Confident138 Ų13864.3 Ų64.354%0.54134%0.341SS..Hα-helixtrans-67.1-41.6179.9-176.3-92.2000112.2T321 Q322 L328 L329T321-Y325 VanDerWaalsContact O-CB 3.29Å; T321-Y325 WeakPolarHBondContact O-CB 3.46Å; T321-Y325 PolarHBondContact O-N 2.82Å; Q322-Y325 PolarHBondContact O-N 2.67Å; Y325-L328 PolarHBondContact O-N 2.64Å; Y325-L329 HydrophobicContact CE1-CD2 4.29Å; Y325-L329 VanDerWaalsContact O-CB 3.32Å; Y325-L329 WeakPolarHBondContact O-CB 3.37Å; Y325-L329 PolarHBondContact O-N 3.46Å
326D89.2Confident76.2Confident18 Ų1869.9 Ų69.910%0.09635%0.349CS..Hα-helixtrans-69.1-37.8179.4-166.182.2000112.6Q322 L329 W330 R423 C453 K456Q322-D326 WeakPolarHBondContact O-CB 3.23Å; Q322-D326 PolarHBondContact O-N 3.02Å; D326-L329 PolarHBondContact O-N 2.64Å; D326-W330 WeakPolarHBondContact O-CB 3.48Å; D326-W330 PolarHBondContact O-N 3.4Å; D326-R423 IonicContact OD2-CZ 3.99Å; D326-R423 VanDerWaalsContact OD2-CZ 3.3Å; D326-R423 IonicContact OD2-NH1 3.01Å; D326-R423 PolarHBondContact OD2-NH1 3.42Å; D326-R423 IonicContact OD2-NH2 3.66Å; D326-R423 PolarHBondContact OD2-NH2 3.33Å; D326-C453 PolarHBondContact OD1-SG 2.83Å; D326-C453 WeakPolarHBondContact OD2-CB 3.44Å; D326-C453 PolarHBondContact OD2-SG 3.1Å; D326-C453 VanDerWaalsContact OD2-SG 3.39Å; D326-K456 IonicContact OD1-NZ 2.66Å; D326-K456 PolarHBondContact OD1-NZ 2.89Å
327L92.4Very high78.8Confident0 Ų065 Ų650%033%0.33CS..Hα-helixtrans-64.7-44.4172.2-177.467.1000111.6S323 L329 W330 C331 L346 M416 L419 H420S323-L327 WeakPolarHBondContact O-CB 3.48Å; S323-L327 PolarHBondContact O-N 3.21Å; L327-L329 VanDerWaalsContact C-N 3.35Å; L327-L329 PolarHBondContact O-N 2.93Å; L327-W330 HydrophobicContact CD1-CE3 3.97Å; L327-W330 HydrophobicContact CD1-CZ3 4.48Å; L327-W330 PolarHBondContact O-N 3.1Å; L327-C331 PolarHBondContact O-N 2.97Å; L327-C331 PolarHBondContact O-SG 2.99Å; L327-C331 VanDerWaalsContact O-SG 3.33Å; L327-L346 HydrophobicContact CB-CD1 4.17Å; L327-L346 HydrophobicContact CD2-CD1 3.72Å; L327-L346 HydrophobicContact CG-CD1 4.08Å; L327-L346 HydrophobicContact CG-CD2 4.48Å; L327-M416 HydrophobicContact CD2-CB 4.35Å; L327-M416 HydrophobicContact CD2-CG 4.26Å; L327-L419 HydrophobicContact CD1-CB 4.19Å; L327-L419 HydrophobicContact CD2-CB 3.7Å; L327-L419 HydrophobicContact CD2-CD1 4.44Å; L327-L419 HydrophobicContact CG-CB 4.35Å; L327-H420 VanDerWaalsContact CD2-CE1 3.46Å; L327-H420 WeakPolarHBondContact CD2-CE1 3.32Å; L327-H420 WeakPolarHBondContact CD2-ND1 3.33Å
328L93.5Very high81.5Confident26 Ų2658.3 Ų58.314%0.13630%0.301CS..Hα-helixtrans-59.5-45.7176.4178.562000111.7R324 Y325 C331 Q332 I343 D345 L346R324-L328 WeakPolarHBondContact O-CB 3.23Å; R324-L328 PolarHBondContact O-N 3.17Å; Y325-L328 PolarHBondContact O-N 2.64Å; L328-C331 PolarHBondContact O-N 3.27Å; L328-Q332 HydrophobicContact CD1-CG 4.47Å; L328-Q332 WeakPolarHBondContact O-CB 3.4Å; L328-Q332 VanDerWaalsContact O-CG 3.28Å; L328-Q332 WeakPolarHBondContact O-CG 3.35Å; L328-Q332 PolarHBondContact O-N 2.74Å; L328-I343 HydrophobicContact CD1-CG2 3.71Å; L328-D345 WeakPolarHBondContact CD1-O 3.26Å; L328-L346 HydrophobicContact CB-CD1 4.41Å; L328-L346 HydrophobicContact CB-CD2 4.11Å; L328-L346 HydrophobicContact CB-CG 4.22Å; L328-L346 HydrophobicContact CD1-CD2 3.91Å; L328-L346 HydrophobicContact CD1-CG 4.26Å
329L92.4Very high83.6Confident43 Ų4360.7 Ų60.723%0.22531%0.309CS..Hα-helixtrans-63.2-40.6176.4-179.162.6000111.8Y325 D326 L327 Q332 L333Y325-L329 HydrophobicContact CE1-CD2 4.29Å; Y325-L329 VanDerWaalsContact O-CB 3.32Å; Y325-L329 WeakPolarHBondContact O-CB 3.37Å; Y325-L329 PolarHBondContact O-N 3.46Å; D326-L329 PolarHBondContact O-N 2.64Å; L327-L329 VanDerWaalsContact C-N 3.35Å; L327-L329 PolarHBondContact O-N 2.93Å; L329-Q332 PolarHBondContact O-N 2.9Å; L329-L333 HydrophobicContact CD1-CD1 4.02Å; L329-L333 HydrophobicContact CD1-CG 4.29Å; L329-L333 HydrophobicContact CG-CD1 3.84Å; L329-L333 WeakPolarHBondContact O-CB 3.43Å; L329-L333 WeakPolarHBondContact O-CD1 3.44Å; L329-L333 WeakPolarHBondContact O-CG 3.28Å; L329-L333 PolarHBondContact O-N 3.01Å
330W92.8Very high85.3Confident5 Ų562.6 Ų62.62%0.01932%0.32CS..Hα-helixtrans-62.1-48.1174.8174.980.1000111.7D326 L327 Q332 L333 V334 I359 F363 I422 R423D326-W330 WeakPolarHBondContact O-CB 3.48Å; D326-W330 PolarHBondContact O-N 3.4Å; L327-W330 HydrophobicContact CD1-CE3 3.97Å; L327-W330 HydrophobicContact CD1-CZ3 4.48Å; L327-W330 PolarHBondContact O-N 3.1Å; W330-Q332 PolarHBondContact O-N 3.4Å; W330-L333 PolarHBondContact O-N 3.19Å; W330-V334 HydrophobicContact CD2-CG2 4.22Å; W330-V334 HydrophobicContact CZ2-CG2 3.95Å; W330-V334 WeakPolarHBondContact O-CG2 3.37Å; W330-V334 PolarHBondContact O-N 2.83Å; W330-I359 HydrophobicContact CH2-CG2 3.69Å; W330-I359 HydrophobicContact CZ3-CD1 4.36Å; W330-I359 HydrophobicContact CZ3-CG2 4.21Å; W330-F363 AromaticContact CZ2-CE2 3.83Å; W330-F363 HydrophobicContact CZ2-CE2 3.83Å; W330-F363 HydrophobicContact CZ2-CZ 4.13Å; W330-I422 HydrophobicContact CH2-CG2 4.49Å; W330-R423 HydrophobicContact CD2-CB 4.21Å; W330-R423 HydrophobicContact CD2-CG 3.74Å; W330-R423 HydrophobicContact CE3-CB 4Å; W330-R423 HydrophobicContact CE3-CG 4.02Å; W330-R423 HydrophobicContact CG-CG 4.31Å; W330-R423 HydrophobicContact CH2-CB 3.66Å; W330-R423 HydrophobicContact CH2-CG 4.11Å; W330-R423 HydrophobicContact CZ2-CB 3.87Å; W330-R423 HydrophobicContact CZ2-CG 3.82Å; W330-R423 HydrophobicContact CZ3-CB 3.72Å; W330-R423 HydrophobicContact CZ3-CG 4.19Å
331C93.9Very high87.2Confident0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-57.6-48.2175.7-670000111.5L327 L328 L333 V334 T335 I343 F350 I359L327-C331 PolarHBondContact O-N 2.97Å; L327-C331 PolarHBondContact O-SG 2.99Å; L327-C331 VanDerWaalsContact O-SG 3.33Å; L328-C331 PolarHBondContact O-N 3.27Å; C331-L333 VanDerWaalsContact C-N 3.3Å; C331-L333 PolarHBondContact O-N 3.23Å; C331-V334 PolarHBondContact O-N 3.49Å; C331-T335 PolarHBondContact O-N 2.63Å; C331-T335 PolarHBondContact O-OG1 2.53Å; C331-I343 HydrophobicContact CB-CD1 3.85Å; C331-I343 HydrophobicContact CB-CG2 4.37Å; C331-F350 HydrophobicContact CB-CZ 4.18Å; C331-I359 HydrophobicContact CB-CD1 4.15Å
332Q93.7Very high88.7Confident76 Ų7665.4 Ų65.436%0.35532%0.322SS..Hα-helixtrans-59.2-36.2177.3-75.2172.2-14.500113.5L328 L329 W330 K336 I343L328-Q332 HydrophobicContact CD1-CG 4.47Å; L328-Q332 WeakPolarHBondContact O-CB 3.4Å; L328-Q332 VanDerWaalsContact O-CG 3.28Å; L328-Q332 WeakPolarHBondContact O-CG 3.35Å; L328-Q332 PolarHBondContact O-N 2.74Å; L329-Q332 PolarHBondContact O-N 2.9Å; W330-Q332 PolarHBondContact O-N 3.4Å; Q332-K336 PolarHBondContact O-N 3.42Å; Q332-I343 HydrophobicContact CG-CB 4.15Å; Q332-I343 WeakPolarHBondContact CG-O 3.42Å; Q332-I343 PolarHBondContact NE2-O 2.72Å
333L91.9Very high89.6Confident64 Ų6461.1 Ų61.134%0.33530%0.302SS..Hα-helixtrans-74.6-42.7179.5-74164.6000111.8L329 W330 C331 K336 I449L329-L333 HydrophobicContact CD1-CD1 4.02Å; L329-L333 HydrophobicContact CD1-CG 4.29Å; L329-L333 HydrophobicContact CG-CD1 3.84Å; L329-L333 WeakPolarHBondContact O-CB 3.43Å; L329-L333 WeakPolarHBondContact O-CD1 3.44Å; L329-L333 WeakPolarHBondContact O-CG 3.28Å; L329-L333 PolarHBondContact O-N 3.01Å; W330-L333 PolarHBondContact O-N 3.19Å; C331-L333 VanDerWaalsContact C-N 3.3Å; C331-L333 PolarHBondContact O-N 3.23Å; L333-K336 VanDerWaalsContact O-CB 3.25Å; L333-K336 WeakPolarHBondContact O-CB 3.4Å; L333-K336 PolarHBondContact O-N 3.23Å; L333-I449 HydrophobicContact CB-CD1 4.08Å; L333-I449 HydrophobicContact CD1-CD1 3.86Å; L333-I449 HydrophobicContact CD1-CG1 4.07Å; L333-I449 HydrophobicContact CD1-CG2 4.17Å; L333-I449 HydrophobicContact CD2-CD1 4.31Å; L333-I449 HydrophobicContact CG-CD1 4.31Å
334V92.2Very high90.2Very high4 Ų463.8 Ų63.82%0.02432%0.317CS..Hα-helixtrans-65-42.1176.7171.30000111.3W330 C331 K336 I359 H362 F363W330-V334 HydrophobicContact CD2-CG2 4.22Å; W330-V334 HydrophobicContact CZ2-CG2 3.95Å; W330-V334 WeakPolarHBondContact O-CG2 3.37Å; W330-V334 PolarHBondContact O-N 2.83Å; C331-V334 PolarHBondContact O-N 3.49Å; V334-K336 VanDerWaalsContact C-N 3.28Å; V334-K336 PolarHBondContact O-N 3.04Å; V334-I359 HydrophobicContact CG1-CB 4.28Å; V334-I359 HydrophobicContact CG1-CG1 4.05Å; V334-I359 HydrophobicContact CG1-CG2 4.32Å; V334-H362 HydrophobicContact CG1-CB 3.72Å; V334-H362 PolarHBondContact O-ND1 3.1Å; V334-F363 HydrophobicContact CG1-CE2 3.87Å; V334-F363 HydrophobicContact CG1-CZ 4.48Å; V334-F363 HydrophobicContact CG2-CE2 4.07Å; V334-F363 HydrophobicContact CG2-CZ 4.02Å
335T92.3Very high90.4Very high6 Ų661 Ų614%0.03731%0.308CS..G310 helixtrans-84.96.5178.668.40000114.2C331 S337 Y338 I341 I343 A358 I359C331-T335 PolarHBondContact O-N 2.63Å; C331-T335 PolarHBondContact O-OG1 2.53Å; T335-S337 PolarHBondContact O-N 3.05Å; T335-Y338 PolarHBondContact O-N 2.88Å; T335-Y338 VanDerWaalsContact O-N 3.14Å; T335-I341 HydrophobicContact CG2-CG2 4.41Å; T335-I343 HydrophobicContact CG2-CD1 3.74Å; T335-I343 WeakPolarHBondContact OG1-CD1 3.28Å; T335-A358 HydrophobicContact CG2-CB 3.92Å; T335-I359 HydrophobicContact CG2-CD1 4.37Å; T335-I359 HydrophobicContact CG2-CG1 3.6Å
336K90.1Very high90.7Very high175 Ų17554.4 Ų54.476%0.76128%0.282SS*.G310 helixtrans-63.2-25.4-174.6-170.5-172.8169.5-161.30113.7Q332 L333 V334 Y338Q332-K336 PolarHBondContact O-N 3.42Å; L333-K336 VanDerWaalsContact O-CB 3.25Å; L333-K336 WeakPolarHBondContact O-CB 3.4Å; L333-K336 PolarHBondContact O-N 3.23Å; V334-K336 VanDerWaalsContact C-N 3.28Å; V334-K336 PolarHBondContact O-N 3.04Å; K336-Y338 VanDerWaalsContact C-N 3.31Å
337S88.7Confident90.8Very high87 Ų8754.4 Ų54.461%0.60828%0.283SS*.G310 helixtrans-82.7-1.7179.154.20000114.3T335T335-S337 PolarHBondContact O-N 3.05Å
338Y91.2Very high90.8Very high29 Ų2958.1 Ų58.111%0.11431%0.306CS..  trans-108.5119-172.2-64.6-94.8000111.4T335 K336 A358 H361 H362 Y370T335-Y338 PolarHBondContact O-N 2.88Å; T335-Y338 VanDerWaalsContact O-N 3.14Å; K336-Y338 VanDerWaalsContact C-N 3.31Å; Y338-A358 HydrophobicContact CD1-CB 3.76Å; Y338-A358 HydrophobicContact CD2-CB 3.79Å; Y338-A358 HydrophobicContact CE1-CB 3.91Å; Y338-A358 HydrophobicContact CE2-CB 3.93Å; Y338-A358 HydrophobicContact CG-CB 3.68Å; Y338-A358 PolarHBondContact OH-O 3.19Å; Y338-H361 HydrophobicContact CE1-CB 4.41Å; Y338-H361 AromaticContact CE1-ND1 3.44Å; Y338-H361 WeakPolarHBondContact CE1-ND1 3.26Å; Y338-H361 AromaticContact CZ-ND1 3.57Å; Y338-H361 WeakPolarHBondContact OH-CB 3.46Å; Y338-H361 PolarHBondContact OH-ND1 3.14Å; Y338-H362 HydrophobicContact CE2-CB 4.24Å; Y338-H362 WeakPolarHBondContact OH-CA 3.46Å; Y338-H362 PolarHBondContact OH-N 3.47Å; Y338-Y370 AromaticContact CD1-CD1 3.86Å; Y338-Y370 HydrophobicContact CD1-CD1 3.86Å; Y338-Y370 HydrophobicContact CD1-CD2 4.06Å; Y338-Y370 AromaticContact CD1-CE1 3.63Å; Y338-Y370 HydrophobicContact CD1-CE1 3.63Å; Y338-Y370 AromaticContact CD1-CE2 3.84Å; Y338-Y370 HydrophobicContact CD1-CE2 3.84Å; Y338-Y370 HydrophobicContact CD1-CG 4.08Å; Y338-Y370 AromaticContact CD1-CZ 3.62Å; Y338-Y370 HydrophobicContact CE1-CD1 4.12Å; Y338-Y370 AromaticContact CE1-CD2 4Å; Y338-Y370 HydrophobicContact CE1-CD2 4Å; Y338-Y370 HydrophobicContact CE1-CE1 4.33Å; Y338-Y370 HydrophobicContact CE1-CE2 4.22Å; Y338-Y370 AromaticContact CE1-CG 3.96Å; Y338-Y370 HydrophobicContact CE1-CG 3.96Å
339D80.2Confident90.7Very high138 Ų13857.7 Ų57.774%0.73831%0.305SS*.THydrogen-bonded Turntrans-62.8157.2166.8-72.5-47.6000111I341D339-I341 PolarHBondContact O-N 3.02Å
340N81.6Confident90.8Very high152 Ų15255.7 Ų55.781%0.81329%0.294SS*.THydrogen-bonded Turntrans66.34.7-178.2-50.4-50000116.7
341I88.2Confident90.7Very high19 Ų1957.3 Ų57.310%0.09730%0.302CS..  trans-111.1128.1174.6-66.3176.3000111.7T335 D339 I343 L354 A358 Y370T335-I341 HydrophobicContact CG2-CG2 4.41Å; D339-I341 PolarHBondContact O-N 3.02Å; I341-I343 HydrophobicContact CG2-CD1 4.27Å; I341-I343 HydrophobicContact CG2-CG1 3.75Å; I341-L354 HydrophobicContact CD1-CB 4.15Å; I341-L354 WeakPolarHBondContact CD1-O 3.26Å; I341-L354 HydrophobicContact CG1-CB 4.27Å; I341-A358 HydrophobicContact CD1-CB 3.32Å; I341-Y370 HydrophobicContact CD1-CE2 4.22Å; I341-Y370 VanDerWaalsContact CD1-OH 3.23Å; I341-Y370 WeakPolarHBondContact CD1-OH 3.33Å
342Q89.1Confident90.6Very high169 Ų16959.4 Ų59.479%0.7931%0.314SS*.  trans-134.895.8169.8-65.4-171.817.300110.4T344Q342-T344 PolarHBondContact O-N 3.19Å
343I92.7Very high90.6Very high8 Ų855.8 Ų55.84%0.04130%0.297CS..  trans-80.3108.1178.9-54-177.7000109.2L328 C331 Q332 T335 I341 D345 F350 A355L328-I343 HydrophobicContact CD1-CG2 3.71Å; C331-I343 HydrophobicContact CB-CD1 3.85Å; C331-I343 HydrophobicContact CB-CG2 4.37Å; Q332-I343 HydrophobicContact CG-CB 4.15Å; Q332-I343 WeakPolarHBondContact CG-O 3.42Å; Q332-I343 PolarHBondContact NE2-O 2.72Å; T335-I343 HydrophobicContact CG2-CD1 3.74Å; T335-I343 WeakPolarHBondContact OG1-CD1 3.28Å; I341-I343 HydrophobicContact CG2-CD1 4.27Å; I341-I343 HydrophobicContact CG2-CG1 3.75Å; I343-D345 VanDerWaalsContact CG2-O 3.24Å; I343-D345 WeakPolarHBondContact CG2-O 3.2Å; I343-F350 HydrophobicContact CD1-CE1 4.35Å; I343-F350 HydrophobicContact CD1-CE2 4.41Å; I343-F350 HydrophobicContact CD1-CZ 3.87Å; I343-F350 HydrophobicContact CG2-CE2 3.63Å; I343-F350 HydrophobicContact CG2-CZ 4.04Å; I343-A355 HydrophobicContact CD1-CB 4.11Å; I343-A355 HydrophobicContact CG1-CB 4.33Å
344T92.3Very high90.7Very high98 Ų9853.1 Ų53.160%0.60128%0.282SS*.  trans-108.5-22.8-179.962.50000113Q342 S349Q342-T344 PolarHBondContact O-N 3.19Å; T344-S349 PolarHBondContact N-OG 2.87Å; T344-S349 PolarHBondContact OG1-OG 2.9Å
345D92.5Very high90.8Very high26 Ų2652.9 Ų52.914%0.13928%0.281CS..SBendtrans-138.7-173.5175.380.4-16.1000110.9L328 I343 T347 T348 S349L328-D345 WeakPolarHBondContact CD1-O 3.26Å; I343-D345 VanDerWaalsContact CG2-O 3.24Å; I343-D345 WeakPolarHBondContact CG2-O 3.2Å; D345-T347 PolarHBondContact OD1-N 2.78Å; D345-T347 VanDerWaalsContact OD1-N 3.14Å; D345-T347 VanDerWaalsContact OD2-CB 3.3Å; D345-T347 WeakPolarHBondContact OD2-CB 3.47Å; D345-T347 PolarHBondContact OD2-N 2.86Å; D345-T347 PolarHBondContact OD2-OG1 3.15Å; D345-T348 PolarHBondContact OD1-N 3.07Å; D345-T348 PolarHBondContact OD1-OG1 3.36Å; D345-T348 PolarHBondContact OD2-N 3.35Å; D345-T348 PolarHBondContact OD2-OG1 3.17Å; D345-S349 PolarHBondContact N-OG 3.1Å; D345-S349 VanDerWaalsContact OD1-CB 3.24Å; D345-S349 WeakPolarHBondContact OD1-CB 3.28Å; D345-S349 PolarHBondContact OD1-N 2.98Å; D345-S349 PolarHBondContact OD1-OG 3.3Å
346L93.1Very high91Very high0 Ų052.7 Ų52.70%028%0.28CS..SBendtrans-112.330.1176.8-63.2-179.2000110.8R324 L327 L328 F350 L412 M415 M416 L419R324-L346 HydrophobicContact CG-CD1 3.97Å; L327-L346 HydrophobicContact CB-CD1 4.17Å; L327-L346 HydrophobicContact CD2-CD1 3.72Å; L327-L346 HydrophobicContact CG-CD1 4.08Å; L327-L346 HydrophobicContact CG-CD2 4.48Å; L328-L346 HydrophobicContact CB-CD1 4.41Å; L328-L346 HydrophobicContact CB-CD2 4.11Å; L328-L346 HydrophobicContact CB-CG 4.22Å; L328-L346 HydrophobicContact CD1-CD2 3.91Å; L328-L346 HydrophobicContact CD1-CG 4.26Å; L346-F350 HydrophobicContact CD2-CE2 3.96Å; L346-F350 HydrophobicContact CD2-CZ 4.42Å; L346-L412 HydrophobicContact CB-CD1 4.15Å; L346-M415 VanDerWaalsContact O-CB 3.26Å; L346-M415 WeakPolarHBondContact O-CB 3.41Å; L346-M416 HydrophobicContact CB-CG 4.38Å; L346-M416 HydrophobicContact CD1-CG 3.69Å; L346-M416 HydrophobicContact CD1-SD 4.21Å; L346-L419 HydrophobicContact CD2-CD1 4Å
347T92Very high91.2Very high18 Ų1844.3 Ų44.311%0.1124%0.243CC..SBendtrans-144.6-79.3-16922.10000111.5D345 P410 L412 M415D345-T347 PolarHBondContact OD1-N 2.78Å; D345-T347 VanDerWaalsContact OD1-N 3.14Å; D345-T347 VanDerWaalsContact OD2-CB 3.3Å; D345-T347 WeakPolarHBondContact OD2-CB 3.47Å; D345-T347 PolarHBondContact OD2-N 2.86Å; D345-T347 PolarHBondContact OD2-OG1 3.15Å; T347-P410 WeakPolarHBondContact CG2-O 3.44Å; T347-L412 HydrophobicContact CG2-CB 4.12Å; T347-L412 HydrophobicContact CG2-CD1 4.17Å; T347-M415 HydrophobicContact CG2-CG 4.46Å
348T92Very high91.5Very high77 Ų7740.2 Ų40.247%0.47222%0.215SC..G310 helixtrans-72.4-32.7-177.360.10000112.7D345 F350 Q351D345-T348 PolarHBondContact OD1-N 3.07Å; D345-T348 PolarHBondContact OD1-OG1 3.36Å; D345-T348 PolarHBondContact OD2-N 3.35Å; D345-T348 PolarHBondContact OD2-OG1 3.17Å; T348-F350 PolarHBondContact O-N 2.85Å; T348-Q351 WeakPolarHBondContact O-CG 3.43Å; T348-Q351 PolarHBondContact O-N 3.42Å; T348-Q351 VanDerWaalsContact O-N 3.14Å
349S92.9Very high91.7Very high18 Ų1838.8 Ų38.813%0.12621%0.209CC..G310 helixtrans-62-13.9179.8-49.20000114.3T344 D345T344-S349 PolarHBondContact N-OG 2.87Å; T344-S349 PolarHBondContact OG1-OG 2.9Å; D345-S349 PolarHBondContact N-OG 3.1Å; D345-S349 VanDerWaalsContact OD1-CB 3.24Å; D345-S349 WeakPolarHBondContact OD1-CB 3.28Å; D345-S349 PolarHBondContact OD1-N 2.98Å; D345-S349 PolarHBondContact OD1-OG 3.3Å
350F93.7Very high92.3Very high0 Ų032.3 Ų32.30%017%0.174CC..G310 helixtrans-106-6.9-178.1-75.2-93.9000113.7C331 I343 L346 T348 N352 G353 A355 F356 I359 M415 L419C331-F350 HydrophobicContact CB-CZ 4.18Å; I343-F350 HydrophobicContact CD1-CE1 4.35Å; I343-F350 HydrophobicContact CD1-CE2 4.41Å; I343-F350 HydrophobicContact CD1-CZ 3.87Å; I343-F350 HydrophobicContact CG2-CE2 3.63Å; I343-F350 HydrophobicContact CG2-CZ 4.04Å; L346-F350 HydrophobicContact CD2-CE2 3.96Å; L346-F350 HydrophobicContact CD2-CZ 4.42Å; T348-F350 PolarHBondContact O-N 2.85Å; F350-N352 PolarHBondContact O-N 2.91Å; F350-G353 PolarHBondContact O-N 2.83Å; F350-G353 VanDerWaalsContact O-N 3.1Å; F350-A355 HydrophobicContact CD1-CB 3.5Å; F350-A355 HydrophobicContact CE1-CB 3.72Å; F350-A355 HydrophobicContact CG-CB 4.05Å; F350-A355 HydrophobicContact CZ-CB 4.43Å; F350-F356 HydrophobicContact CB-CD2 4.41Å; F350-F356 HydrophobicContact CB-CE2 3.78Å; F350-F356 HydrophobicContact CB-CZ 4.14Å; F350-F356 HydrophobicContact CD1-CD1 4.11Å; F350-F356 HydrophobicContact CD1-CD2 4.04Å; F350-F356 AromaticContact CD1-CE1 3.95Å; F350-F356 HydrophobicContact CD1-CE1 3.95Å; F350-F356 AromaticContact CD1-CE2 3.88Å; F350-F356 HydrophobicContact CD1-CE2 3.88Å; F350-F356 HydrophobicContact CD1-CG 4.16Å; F350-F356 AromaticContact CD1-CZ 3.85Å; F350-F356 HydrophobicContact CD1-CZ 3.85Å; F350-F356 HydrophobicContact CE1-CD1 4.46Å; F350-F356 HydrophobicContact CE1-CE1 4.44Å; F350-F356 HydrophobicContact CG-CE2 4.28Å; F350-F356 HydrophobicContact CG-CZ 4.31Å; F350-I359 HydrophobicContact CE1-CD1 3.97Å; F350-I359 HydrophobicContact CZ-CD1 4.35Å; F350-M415 HydrophobicContact CB-CE 3.4Å; F350-M415 VanDerWaalsContact CB-CE 3.4Å; F350-M415 HydrophobicContact CD2-CE 4.35Å; F350-M415 HydrophobicContact CG-CE 3.92Å; F350-L419 HydrophobicContact CD1-CD1 4.48Å; F350-L419 HydrophobicContact CD1-CD2 4.25Å; F350-L419 HydrophobicContact CD2-CD1 4.42Å; F350-L419 HydrophobicContact CE1-CD1 3.97Å; F350-L419 HydrophobicContact CE1-CD2 3.58Å; F350-L419 HydrophobicContact CE1-CG 4.42Å; F350-L419 HydrophobicContact CE2-CD1 3.89Å; F350-L419 HydrophobicContact CZ-CD1 3.63Å; F350-L419 HydrophobicContact CZ-CD2 3.96Å; F350-L419 HydrophobicContact CZ-CG 4.49Å
351Q91.8Very high92.9Very high40 Ų4027.4 Ų27.419%0.18715%0.146CC..THydrogen-bonded Turntrans-69.4-12.9-175.9-58.3-166.9-83.400113.9T348 G353 P378 V403 S405 P410T348-Q351 WeakPolarHBondContact O-CG 3.43Å; T348-Q351 PolarHBondContact O-N 3.42Å; T348-Q351 VanDerWaalsContact O-N 3.14Å; Q351-G353 VanDerWaalsContact C-N 3.3Å; Q351-P378 WeakPolarHBondContact O-CB 3.49Å; Q351-V403 VanDerWaalsContact CG-O 3.24Å; Q351-V403 WeakPolarHBondContact CG-O 3.5Å; Q351-V403 PolarHBondContact NE2-O 2.93Å; Q351-S405 PolarHBondContact NE2-O 3.47Å; Q351-S405 VanDerWaalsContact NE2-O 3.11Å; Q351-P410 HydrophobicContact CG-CG 4.49Å
352N91.5Very high93.1Very high44 Ų4430 Ų3024%0.23516%0.158CC..THydrogen-bonded Turntrans-82.1-6.817468.8-0.3000113.6F350 L354 N381F350-N352 PolarHBondContact O-N 2.91Å; N352-L354 PolarHBondContact O-N 3.49Å; N352-L354 PolarHBondContact OD1-N 3.3Å; N352-N381 PolarHBondContact O-ND2 2.79Å
353G92.6Very high93.2Very high0 Ų023.5 Ų23.50%013%0.127CC..SBendtrans71.3-31.7-17400000115.4F350 Q351 A355 F356 C357 C382F350-G353 PolarHBondContact O-N 2.83Å; F350-G353 VanDerWaalsContact O-N 3.1Å; Q351-G353 VanDerWaalsContact C-N 3.3Å; G353-A355 PolarHBondContact O-N 3.19Å; G353-A355 VanDerWaalsContact O-N 3.15Å; G353-F356 WeakPolarHBondContact O-CB 3.32Å; G353-F356 PolarHBondContact O-N 2.88Å; G353-C357 PolarHBondContact O-N 2.9Å; G353-C357 VanDerWaalsContact O-N 3.15Å; G353-C382 WeakPolarHBondContact CA-SG 3.24Å
354L94.4Very high93.1Very high7 Ų724.5 Ų24.54%0.03713%0.131CC..Hα-helixtrans-53.2-37.9-178.6-62.7179.1000113I341 N352 F356 C357 A358 L373I341-L354 HydrophobicContact CD1-CB 4.15Å; I341-L354 WeakPolarHBondContact CD1-O 3.26Å; I341-L354 HydrophobicContact CG1-CB 4.27Å; N352-L354 PolarHBondContact O-N 3.49Å; N352-L354 PolarHBondContact OD1-N 3.3Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 3.1Å; L354-C357 PolarHBondContact O-N 3.41Å; L354-C357 VanDerWaalsContact O-N 3.17Å; L354-A358 WeakPolarHBondContact O-CB 3.28Å; L354-A358 PolarHBondContact O-N 3Å; L354-L373 HydrophobicContact CD2-CB 3.65Å; L354-L373 HydrophobicContact CD2-CD1 4.39Å
355A95.2Very high93Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-61.9-32.8176.600000113.5I343 F350 G353 I359I343-A355 HydrophobicContact CD1-CB 4.11Å; I343-A355 HydrophobicContact CG1-CB 4.33Å; F350-A355 HydrophobicContact CD1-CB 3.5Å; F350-A355 HydrophobicContact CE1-CB 3.72Å; F350-A355 HydrophobicContact CG-CB 4.05Å; F350-A355 HydrophobicContact CZ-CB 4.43Å; G353-A355 PolarHBondContact O-N 3.19Å; G353-A355 VanDerWaalsContact O-N 3.15Å; A355-I359 WeakPolarHBondContact O-CD1 3.24Å; A355-I359 VanDerWaalsContact O-CG1 3.26Å; A355-I359 WeakPolarHBondContact O-CG1 3.37Å; A355-I359 PolarHBondContact O-N 2.83Å
356F95Very high92.9Very high1 Ų128.2 Ų28.20%0.00415%0.151CC..Hα-helixtrans-75.3-41.5171.7-66.9-74.6000111.5F350 G353 L354 I359 L360 A385 F386 L398 V403 M415 Y418 L419 I422F350-F356 HydrophobicContact CB-CD2 4.41Å; F350-F356 HydrophobicContact CB-CE2 3.78Å; F350-F356 HydrophobicContact CB-CZ 4.14Å; F350-F356 HydrophobicContact CD1-CD1 4.11Å; F350-F356 HydrophobicContact CD1-CD2 4.04Å; F350-F356 AromaticContact CD1-CE1 3.95Å; F350-F356 HydrophobicContact CD1-CE1 3.95Å; F350-F356 AromaticContact CD1-CE2 3.88Å; F350-F356 HydrophobicContact CD1-CE2 3.88Å; F350-F356 HydrophobicContact CD1-CG 4.16Å; F350-F356 AromaticContact CD1-CZ 3.85Å; F350-F356 HydrophobicContact CD1-CZ 3.85Å; F350-F356 HydrophobicContact CE1-CD1 4.46Å; F350-F356 HydrophobicContact CE1-CE1 4.44Å; F350-F356 HydrophobicContact CG-CE2 4.28Å; F350-F356 HydrophobicContact CG-CZ 4.31Å; G353-F356 WeakPolarHBondContact O-CB 3.32Å; G353-F356 PolarHBondContact O-N 2.88Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 3.1Å; F356-I359 PolarHBondContact O-N 3.35Å; F356-L360 WeakPolarHBondContact O-CG 3.24Å; F356-L360 PolarHBondContact O-N 3.41Å; F356-L360 VanDerWaalsContact O-N 3.1Å; F356-A385 HydrophobicContact CB-CB 3.6Å; F356-F386 HydrophobicContact CD1-CE1 4.18Å; F356-F386 AromaticContact CD2-CE1 3.96Å; F356-F386 HydrophobicContact CD2-CE1 3.96Å; F356-F386 HydrophobicContact CD2-CZ 4.47Å; F356-F386 HydrophobicContact CE1-CE1 4.2Å; F356-F386 AromaticContact CE2-CE1 3.97Å; F356-F386 HydrophobicContact CE2-CE1 3.97Å; F356-F386 HydrophobicContact CE2-CZ 4.12Å; F356-F386 HydrophobicContact CG-CE1 4.06Å; F356-F386 HydrophobicContact CZ-CE1 4.09Å; F356-F386 HydrophobicContact CZ-CZ 4.28Å; F356-L398 HydrophobicContact CZ-CD1 4.4Å; F356-V403 HydrophobicContact CE2-CG1 4.18Å; F356-M415 HydrophobicContact CE2-CE 4.2Å; F356-M415 HydrophobicContact CZ-CE 3.72Å; F356-M415 HydrophobicContact CZ-SD 4.21Å; F356-Y418 HydrophobicContact CD1-CE1 4.28Å; F356-Y418 AromaticContact CE1-CD1 3.81Å; F356-Y418 HydrophobicContact CE1-CD1 3.81Å; F356-Y418 AromaticContact CE1-CE1 3.96Å; F356-Y418 HydrophobicContact CE1-CE1 3.96Å; F356-Y418 HydrophobicContact CZ-CD1 4.41Å; F356-L419 HydrophobicContact CD1-CD2 4.03Å; F356-L419 HydrophobicContact CE1-CD2 3.63Å; F356-L419 HydrophobicContact CE1-CG 4.23Å; F356-I422 HydrophobicContact CD1-CD1 4.15Å
357C94.9Very high92.7Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-59.4-47.3178-61.80000111.9G353 L354 L360 H361 I368 Y370 L373 N381G353-C357 PolarHBondContact O-N 2.9Å; G353-C357 VanDerWaalsContact O-N 3.15Å; L354-C357 PolarHBondContact O-N 3.41Å; L354-C357 VanDerWaalsContact O-N 3.17Å; C357-L360 PolarHBondContact O-N 3.5Å; C357-H361 VanDerWaalsContact O-CB 3.28Å; C357-H361 WeakPolarHBondContact O-CB 3.31Å; C357-H361 PolarHBondContact O-N 3.26Å; C357-I368 HydrophobicContact CB-CD1 4.45Å; C357-I368 HydrophobicContact CB-CG2 4.29Å; C357-Y370 HydrophobicContact CB-CD2 4.31Å; C357-Y370 HydrophobicContact CB-CE2 4.48Å; C357-L373 HydrophobicContact CB-CD1 3.56Å; C357-N381 PolarHBondContact SG-O 3.01Å
358A94.9Very high92.8Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-64.8-39.8178.800000113.4T335 Y338 I341 L354 L360 H362 Y370T335-A358 HydrophobicContact CG2-CB 3.92Å; Y338-A358 HydrophobicContact CD1-CB 3.76Å; Y338-A358 HydrophobicContact CD2-CB 3.79Å; Y338-A358 HydrophobicContact CE1-CB 3.91Å; Y338-A358 HydrophobicContact CE2-CB 3.93Å; Y338-A358 HydrophobicContact CG-CB 3.68Å; Y338-A358 PolarHBondContact OH-O 3.19Å; I341-A358 HydrophobicContact CD1-CB 3.32Å; L354-A358 WeakPolarHBondContact O-CB 3.28Å; L354-A358 PolarHBondContact O-N 3Å; A358-L360 VanDerWaalsContact C-N 3.33Å; A358-L360 PolarHBondContact O-N 3.31Å; A358-H362 WeakPolarHBondContact O-CB 3.45Å; A358-H362 PolarHBondContact O-N 2.95Å; A358-Y370 HydrophobicContact CB-CD2 4.39Å; A358-Y370 HydrophobicContact CB-CE2 3.82Å
359I94.6Very high92.8Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-61.5-44.2175-71.5172.2000110.4W330 C331 V334 T335 F350 A355 F356 F363 L419 I422W330-I359 HydrophobicContact CH2-CG2 3.69Å; W330-I359 HydrophobicContact CZ3-CD1 4.36Å; W330-I359 HydrophobicContact CZ3-CG2 4.21Å; C331-I359 HydrophobicContact CB-CD1 4.15Å; V334-I359 HydrophobicContact CG1-CB 4.28Å; V334-I359 HydrophobicContact CG1-CG1 4.05Å; V334-I359 HydrophobicContact CG1-CG2 4.32Å; T335-I359 HydrophobicContact CG2-CD1 4.37Å; T335-I359 HydrophobicContact CG2-CG1 3.6Å; F350-I359 HydrophobicContact CE1-CD1 3.97Å; F350-I359 HydrophobicContact CZ-CD1 4.35Å; A355-I359 WeakPolarHBondContact O-CD1 3.24Å; A355-I359 VanDerWaalsContact O-CG1 3.26Å; A355-I359 WeakPolarHBondContact O-CG1 3.37Å; A355-I359 PolarHBondContact O-N 2.83Å; F356-I359 PolarHBondContact O-N 3.35Å; I359-F363 VanDerWaalsContact O-CD2 3.26Å; I359-F363 WeakPolarHBondContact O-CD2 3.45Å; I359-L419 HydrophobicContact CD1-CD2 4.35Å; I359-I422 HydrophobicContact CG2-CG2 3.8Å
360L93.6Very high92.7Very high2 Ų236 Ų361%0.0118%0.175CC..Hα-helixtrans-71.1-42.6179.2-70.7168.7000112.2F356 C357 A358 H362 F363 F364 I368 A385 V388 A389 L392 I422F356-L360 WeakPolarHBondContact O-CG 3.24Å; F356-L360 PolarHBondContact O-N 3.41Å; F356-L360 VanDerWaalsContact O-N 3.1Å; C357-L360 PolarHBondContact O-N 3.5Å; A358-L360 VanDerWaalsContact C-N 3.33Å; A358-L360 PolarHBondContact O-N 3.31Å; L360-H362 VanDerWaalsContact C-N 3.28Å; L360-H362 PolarHBondContact O-N 3.09Å; L360-F363 PolarHBondContact O-N 2.87Å; L360-F364 WeakPolarHBondContact O-CB 3.42Å; L360-F364 PolarHBondContact O-N 2.67Å; L360-I368 HydrophobicContact CB-CD1 3.53Å; L360-I368 HydrophobicContact CD1-CD1 4.1Å; L360-I368 HydrophobicContact CG-CD1 4.49Å; L360-A385 HydrophobicContact CD1-CB 4.03Å; L360-A385 VanDerWaalsContact CD1-O 3.23Å; L360-A385 WeakPolarHBondContact CD1-O 3.32Å; L360-V388 HydrophobicContact CD1-CG1 4.41Å; L360-A389 HydrophobicContact CD1-CB 4.2Å; L360-A389 HydrophobicContact CD2-CB 4.44Å; L360-L392 HydrophobicContact CD2-CD1 4.22Å; L360-I422 HydrophobicContact CD2-CG2 4.18Å
361H93.8Very high92.6Very high48 Ų4843.3 Ų43.322%0.22221%0.214CC..Hα-helixtrans-61.2-34.3177.1-177.8-108.2000112.4Y338 C357 F363 F364 P365 I368Y338-H361 HydrophobicContact CE1-CB 4.41Å; Y338-H361 AromaticContact CE1-ND1 3.44Å; Y338-H361 WeakPolarHBondContact CE1-ND1 3.26Å; Y338-H361 AromaticContact CZ-ND1 3.57Å; Y338-H361 WeakPolarHBondContact OH-CB 3.46Å; Y338-H361 PolarHBondContact OH-ND1 3.14Å; C357-H361 VanDerWaalsContact O-CB 3.28Å; C357-H361 WeakPolarHBondContact O-CB 3.31Å; C357-H361 PolarHBondContact O-N 3.26Å; H361-F363 VanDerWaalsContact C-N 3.26Å; H361-F363 PolarHBondContact O-N 3.34Å; H361-F364 CarbonylContact O-C 3.49Å; H361-F364 PolarHBondContact O-N 3.25Å; H361-P365 VanDerWaalsContact CD2-CA 3.47Å; H361-P365 WeakPolarHBondContact CD2-CA 3.46Å; H361-P365 WeakPolarHBondContact O-CA 3.45Å; H361-P365 WeakPolarHBondContact O-CD 3.43Å; H361-P365 VanDerWaalsContact O-N 3.15Å; H361-I368 HydrophobicContact CB-CB 4.37Å; H361-I368 PolarHBondContact CD2-O 2.85Å
362H92.4Very high92.5Very high75 Ų7545.3 Ų45.335%0.34723%0.233SC..Hα-helixtrans-62.1-30.5177.2-17697.2000113.5V334 Y338 A358 L360V334-H362 HydrophobicContact CG1-CB 3.72Å; V334-H362 PolarHBondContact O-ND1 3.1Å; Y338-H362 HydrophobicContact CE2-CB 4.24Å; Y338-H362 WeakPolarHBondContact OH-CA 3.46Å; Y338-H362 PolarHBondContact OH-N 3.47Å; A358-H362 WeakPolarHBondContact O-CB 3.45Å; A358-H362 PolarHBondContact O-N 2.95Å; L360-H362 VanDerWaalsContact C-N 3.28Å; L360-H362 PolarHBondContact O-N 3.09Å
363F91.4Very high92.5Very high32 Ų3244.9 Ų44.914%0.1423%0.231CC..Hα-helixtrans-102.5-20.5177.1-63.6-74.2000113.4W330 V334 I359 L360 H361 C426 T430 L446W330-F363 AromaticContact CZ2-CE2 3.83Å; W330-F363 HydrophobicContact CZ2-CE2 3.83Å; W330-F363 HydrophobicContact CZ2-CZ 4.13Å; V334-F363 HydrophobicContact CG1-CE2 3.87Å; V334-F363 HydrophobicContact CG1-CZ 4.48Å; V334-F363 HydrophobicContact CG2-CE2 4.07Å; V334-F363 HydrophobicContact CG2-CZ 4.02Å; I359-F363 VanDerWaalsContact O-CD2 3.26Å; I359-F363 WeakPolarHBondContact O-CD2 3.45Å; L360-F363 PolarHBondContact O-N 2.87Å; H361-F363 VanDerWaalsContact C-N 3.26Å; H361-F363 PolarHBondContact O-N 3.34Å; F363-C426 HydrophobicContact CB-CB 4.43Å; F363-C426 HydrophobicContact CD1-CB 4.05Å; F363-C426 HydrophobicContact CD2-CB 3.53Å; F363-C426 WeakPolarHBondContact CD2-SG 3.35Å; F363-C426 HydrophobicContact CE1-CB 4.18Å; F363-C426 HydrophobicContact CE2-CB 3.69Å; F363-C426 HydrophobicContact CG-CB 3.74Å; F363-C426 HydrophobicContact CZ-CB 4.01Å; F363-T430 HydrophobicContact CD1-CG2 4.18Å; F363-T430 HydrophobicContact CE1-CG2 4.33Å; F363-L446 HydrophobicContact CE1-CD1 3.93Å; F363-L446 HydrophobicContact CE1-CD2 3.93Å; F363-L446 HydrophobicContact CZ-CD1 4.06Å
364F90.1Very high92.4Very high29 Ų2946.9 Ų46.913%0.12724%0.244CC..  trans-142.867.9-173.3-52.9-70.1000110.9L360 H361 D366 R367 L392 F425L360-F364 WeakPolarHBondContact O-CB 3.42Å; L360-F364 PolarHBondContact O-N 2.67Å; H361-F364 CarbonylContact O-C 3.49Å; H361-F364 PolarHBondContact O-N 3.25Å; F364-D366 VanDerWaalsContact C-N 3.29Å; F364-D366 PolarHBondContact O-N 3.28Å; F364-R367 HydrophobicContact CB-CB 4.16Å; F364-R367 HydrophobicContact CB-CG 3.96Å; F364-R367 PolarHBondContact O-N 2.96Å; F364-R367 VanDerWaalsContact O-N 3.16Å; F364-L392 HydrophobicContact CD1-CD2 4.11Å; F364-L392 HydrophobicContact CD2-CD1 3.53Å; F364-L392 HydrophobicContact CD2-CD2 4.37Å; F364-L392 HydrophobicContact CE1-CD2 4.17Å; F364-L392 HydrophobicContact CE2-CD1 3.77Å; F364-L392 HydrophobicContact CE2-CD2 4.41Å; F364-L392 HydrophobicContact CG-CD1 4.04Å; F364-L392 HydrophobicContact CG-CD2 4.23Å; F364-L392 HydrophobicContact CZ-CD1 4.46Å; F364-L392 HydrophobicContact CZ-CD2 4.33Å; F364-F425 HydrophobicContact CE2-CD1 4.18Å; F364-F425 AromaticContact CE2-CE1 3.78Å; F364-F425 HydrophobicContact CE2-CE1 3.78Å; F364-F425 HydrophobicContact CZ-CD1 4.19Å; F364-F425 AromaticContact CZ-CE1 3.53Å; F364-F425 HydrophobicContact CZ-CE1 3.53Å; F364-F425 HydrophobicContact CZ-CZ 4.46Å
365P90.5Very high92.1Very high69 Ų6950.2 Ų50.245%0.44827%0.268SS..G310 helixtrans-57-44.1-177.320.8-31.5000111.8H361 R367 I368H361-P365 VanDerWaalsContact CD2-CA 3.47Å; H361-P365 WeakPolarHBondContact CD2-CA 3.46Å; H361-P365 WeakPolarHBondContact O-CA 3.45Å; H361-P365 WeakPolarHBondContact O-CD 3.43Å; H361-P365 VanDerWaalsContact O-N 3.15Å; P365-R367 PolarHBondContact O-N 3.36Å; P365-I368 PolarHBondContact O-N 3.38Å
366D90.2Very high91.8Very high133 Ų13357.8 Ų57.871%0.71130%0.303SS*.G310 helixtrans-57.57.3175.3-45.2-6.3000116.5F364F364-D366 VanDerWaalsContact C-N 3.29Å; F364-D366 PolarHBondContact O-N 3.28Å
367R90.3Very high91.7Very high145 Ų14562.2 Ų62.255%0.54733%0.327SS..G310 helixtrans-126.2-15.7-175.2-61.9-63.9177.6-84-6.5114.6F364 P365 V388F364-R367 HydrophobicContact CB-CB 4.16Å; F364-R367 HydrophobicContact CB-CG 3.96Å; F364-R367 PolarHBondContact O-N 2.96Å; F364-R367 VanDerWaalsContact O-N 3.16Å; P365-R367 PolarHBondContact O-N 3.36Å; R367-V388 HydrophobicContact CB-CG1 3.8Å; R367-V388 WeakPolarHBondContact O-CG2 3.47Å
368I92.2Very high91.5Very high5 Ų563.6 Ų63.63%0.02634%0.336CS..  trans-140.2111.6179.5-63.8-179.5000107.2C357 L360 H361 P365 Y370 L373 L384 V388C357-I368 HydrophobicContact CB-CD1 4.45Å; C357-I368 HydrophobicContact CB-CG2 4.29Å; L360-I368 HydrophobicContact CB-CD1 3.53Å; L360-I368 HydrophobicContact CD1-CD1 4.1Å; L360-I368 HydrophobicContact CG-CD1 4.49Å; H361-I368 HydrophobicContact CB-CB 4.37Å; H361-I368 PolarHBondContact CD2-O 2.85Å; P365-I368 PolarHBondContact O-N 3.38Å; I368-Y370 PolarHBondContact O-N 3.21Å; I368-Y370 VanDerWaalsContact O-N 3.1Å; I368-L373 HydrophobicContact CG2-CD1 3.94Å; I368-L384 HydrophobicContact CG2-CD2 4.47Å; I368-V388 HydrophobicContact CD1-CB 4.38Å; I368-V388 HydrophobicContact CD1-CG1 4.23Å; I368-V388 HydrophobicContact CD1-CG2 4.44Å; I368-V388 HydrophobicContact CG1-CB 4.34Å; I368-V388 HydrophobicContact CG1-CG1 4.16Å; I368-V388 HydrophobicContact CG1-CG2 3.93Å
369D92.6Very high91.5Very high100 Ų10066.5 Ų66.554%0.53535%0.352SS..  trans-67.3108.1159.6172.117.8000107.3D371 S372 L373D369-D371 PolarHBondContact OD1-N 3.49Å; D369-S372 WeakPolarHBondContact OD2-CB 3.46Å; D369-S372 PolarHBondContact OD2-OG 2.85Å; D369-L373 WeakPolarHBondContact O-CG 3.32Å
370Y91.7Very high91.5Very high25 Ų2572 Ų7210%0.09838%0.377CS..  trans-82.5-31.4-178.2-177.4-89.4000111.9Y338 I341 C357 A358 I368 S372 L373Y338-Y370 AromaticContact CD1-CD1 3.86Å; Y338-Y370 HydrophobicContact CD1-CD1 3.86Å; Y338-Y370 HydrophobicContact CD1-CD2 4.06Å; Y338-Y370 AromaticContact CD1-CE1 3.63Å; Y338-Y370 HydrophobicContact CD1-CE1 3.63Å; Y338-Y370 AromaticContact CD1-CE2 3.84Å; Y338-Y370 HydrophobicContact CD1-CE2 3.84Å; Y338-Y370 HydrophobicContact CD1-CG 4.08Å; Y338-Y370 AromaticContact CD1-CZ 3.62Å; Y338-Y370 HydrophobicContact CE1-CD1 4.12Å; Y338-Y370 AromaticContact CE1-CD2 4Å; Y338-Y370 HydrophobicContact CE1-CD2 4Å; Y338-Y370 HydrophobicContact CE1-CE1 4.33Å; Y338-Y370 HydrophobicContact CE1-CE2 4.22Å; Y338-Y370 AromaticContact CE1-CG 3.96Å; Y338-Y370 HydrophobicContact CE1-CG 3.96Å; I341-Y370 HydrophobicContact CD1-CE2 4.22Å; I341-Y370 VanDerWaalsContact CD1-OH 3.23Å; I341-Y370 WeakPolarHBondContact CD1-OH 3.33Å; C357-Y370 HydrophobicContact CB-CD2 4.31Å; C357-Y370 HydrophobicContact CB-CE2 4.48Å; A358-Y370 HydrophobicContact CB-CD2 4.39Å; A358-Y370 HydrophobicContact CB-CE2 3.82Å; I368-Y370 PolarHBondContact O-N 3.21Å; I368-Y370 VanDerWaalsContact O-N 3.1Å; Y370-S372 VanDerWaalsContact C-N 3.29Å; Y370-S372 PolarHBondContact O-N 3.35Å; Y370-L373 HydrophobicContact CD2-CD1 4.11Å; Y370-L373 WeakPolarHBondContact O-CB 3.34Å; Y370-L373 PolarHBondContact O-N 3.4Å; Y370-L373 VanDerWaalsContact O-N 3.09Å
371D90Very high91.5Very high154 Ų15472.1 Ų72.182%0.82438%0.378SS*.THydrogen-bonded Turntrans-74.6-19.5-170.5-66.6-26.2000112.6D369D369-D371 PolarHBondContact OD1-N 3.49Å
372S90.8Very high91.6Very high83 Ų8369.8 Ų69.858%0.5837%0.367SS*.THydrogen-bonded Turntrans-85.8-0170.263.50000115D369 Y370D369-S372 WeakPolarHBondContact OD2-CB 3.46Å; D369-S372 PolarHBondContact OD2-OG 2.85Å; Y370-S372 VanDerWaalsContact C-N 3.29Å; Y370-S372 PolarHBondContact O-N 3.35Å
373L91.4Very high91.7Very high35 Ų3571.6 Ų71.618%0.18337%0.371CS..  trans-87.2121.9-177.2-56.5-179.9000112.9L354 C357 I368 D369 Y370 L384L354-L373 HydrophobicContact CD2-CB 3.65Å; L354-L373 HydrophobicContact CD2-CD1 4.39Å; C357-L373 HydrophobicContact CB-CD1 3.56Å; I368-L373 HydrophobicContact CG2-CD1 3.94Å; D369-L373 WeakPolarHBondContact O-CG 3.32Å; Y370-L373 HydrophobicContact CD2-CD1 4.11Å; Y370-L373 WeakPolarHBondContact O-CB 3.34Å; Y370-L373 PolarHBondContact O-N 3.4Å; Y370-L373 VanDerWaalsContact O-N 3.09Å; L373-L384 HydrophobicContact CD2-CD2 3.81Å
374S89.3Confident91.8Very high41 Ų4172.7 Ų72.729%0.28738%0.378SS..  trans-98.3143.5172.8174.40000112.1E376 N377 N381S374-E376 PolarHBondContact O-N 3.31Å; S374-E376 WeakPolarHBondContact OG-CB 3.42Å; S374-E376 WeakPolarHBondContact OG-CG 3.43Å; S374-E376 PolarHBondContact OG-N 3.16Å; S374-E376 VanDerWaalsContact OG-N 3.16Å; S374-E376 PolarHBondContact OG-OE2 3.2Å; S374-N377 PolarHBondContact O-N 3.32Å; S374-N381 PolarHBondContact O-ND2 3.17Å
375S89.5Confident92.1Very high77 Ų7771.3 Ų71.354%0.53837%0.372SS..THydrogen-bonded Turntrans-64.8-16172.361.70000113.5N377S375-N377 VanDerWaalsContact C-N 3.32Å; S375-N377 PolarHBondContact O-N 2.76Å
376E89.2Confident92.3Very high159 Ų15968.1 Ų68.174%0.74335%0.351SS*.THydrogen-bonded Turntrans-74.8-18.5-179.4-60.9175.8141.400113.6S374 P378S374-E376 PolarHBondContact O-N 3.31Å; S374-E376 WeakPolarHBondContact OG-CB 3.42Å; S374-E376 WeakPolarHBondContact OG-CG 3.43Å; S374-E376 PolarHBondContact OG-N 3.16Å; S374-E376 VanDerWaalsContact OG-N 3.16Å; S374-E376 PolarHBondContact OG-OE2 3.2Å; E376-P378 WeakPolarHBondContact O-CD 3.37Å
377N91.4Very high92.5Very high94 Ų9464.6 Ų64.650%0.50333%0.332SS..  trans-111.351.2-175.8-70.6-54.1000113.6S374 S375 L379 Q380 N381S374-N377 PolarHBondContact O-N 3.32Å; S375-N377 VanDerWaalsContact C-N 3.32Å; S375-N377 PolarHBondContact O-N 2.76Å; N377-L379 VanDerWaalsContact C-N 3.3Å; N377-L379 PolarHBondContact O-N 3.14Å; N377-Q380 HydrophobicContact CB-CB 4.31Å; N377-Q380 PolarHBondContact O-N 2.87Å; N377-N381 VanDerWaalsContact O-CG 3.32Å; N377-N381 PolarHBondContact O-N 3.05Å; N377-N381 PolarHBondContact O-OD1 2.79Å
378P92.4Very high92.6Very high30 Ų3058.1 Ų58.120%0.19531%0.308CS..Hα-helixtrans-61.2-34.6-16827.3-37.1000113.8Q351 E376 Q380 N381 C382 V404Q351-P378 WeakPolarHBondContact O-CB 3.49Å; E376-P378 WeakPolarHBondContact O-CD 3.37Å; P378-Q380 VanDerWaalsContact C-N 3.32Å; P378-Q380 PolarHBondContact O-N 2.76Å; P378-N381 PolarHBondContact O-N 2.83Å; P378-C382 WeakPolarHBondContact O-CB 3.2Å; P378-C382 PolarHBondContact O-N 3.1Å; P378-V404 HydrophobicContact CB-CG1 3.75Å; P378-V404 HydrophobicContact CB-CG2 4.09Å; P378-V404 HydrophobicContact CG-CG1 3.58Å
379L93.7Very high92.7Very high61 Ų6157.9 Ų57.932%0.31931%0.307SS..Hα-helixtrans-64.7-36.3176.9-17562.6000112.1N377 R383 P400 V404N377-L379 VanDerWaalsContact C-N 3.3Å; N377-L379 PolarHBondContact O-N 3.14Å; L379-R383 WeakPolarHBondContact O-CB 3.23Å; L379-R383 WeakPolarHBondContact O-CD 3.45Å; L379-R383 VanDerWaalsContact O-CG 3.22Å; L379-R383 WeakPolarHBondContact O-CG 3.48Å; L379-R383 PolarHBondContact O-N 3.02Å; L379-R383 VanDerWaalsContact O-N 3.11Å; L379-P400 HydrophobicContact CD1-CB 3.81Å; L379-V404 HydrophobicContact CB-CG1 4.37Å
380Q94.4Very high92.7Very high115 Ų11555.2 Ų55.254%0.53730%0.296SS..Hα-helixtrans-75.6-40.4177.4-171.660.912.900111N377 P378 R383 L384N377-Q380 HydrophobicContact CB-CB 4.31Å; N377-Q380 PolarHBondContact O-N 2.87Å; P378-Q380 VanDerWaalsContact C-N 3.32Å; P378-Q380 PolarHBondContact O-N 2.76Å; Q380-R383 PolarHBondContact O-N 3.44Å; Q380-L384 WeakPolarHBondContact O-CB 3.49Å; Q380-L384 PolarHBondContact O-N 3.39Å
381N95Very high92.7Very high4 Ų462.3 Ų62.32%0.02133%0.328CS..Hα-helixtrans-58.9-49.4175.1-60.1-14.3000111.2N352 C357 S374 N377 P378 R383 L384 A385N352-N381 PolarHBondContact O-ND2 2.79Å; C357-N381 PolarHBondContact SG-O 3.01Å; S374-N381 PolarHBondContact O-ND2 3.17Å; N377-N381 VanDerWaalsContact O-CG 3.32Å; N377-N381 PolarHBondContact O-N 3.05Å; N377-N381 PolarHBondContact O-OD1 2.79Å; P378-N381 PolarHBondContact O-N 2.83Å; N381-R383 PolarHBondContact O-N 2.98Å; N381-L384 PolarHBondContact O-N 3.18Å; N381-A385 WeakPolarHBondContact O-CB 3.46Å; N381-A385 PolarHBondContact O-N 2.67Å
382C94Very high92.7Very high0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-62-41.7175.6-77.70000112.7G353 P378 F386 P400 V404G353-C382 WeakPolarHBondContact CA-SG 3.24Å; P378-C382 WeakPolarHBondContact O-CB 3.2Å; P378-C382 PolarHBondContact O-N 3.1Å; C382-F386 HydrophobicContact CB-CZ 4.44Å; C382-F386 WeakPolarHBondContact O-CB 3.14Å; C382-F386 WeakPolarHBondContact O-CD1 3.34Å; C382-F386 WeakPolarHBondContact O-CG 3.22Å; C382-F386 PolarHBondContact O-N 2.96Å; C382-P400 HydrophobicContact CB-CB 3.93Å; C382-V404 HydrophobicContact CB-CG2 4.1Å
383R94.7Very high92.6Very high113 Ų11355.5 Ų55.543%0.42630%0.297SS..Hα-helixtrans-59.8-52175.2-79.7170.6177.4-175.7-1.9111.6L379 Q380 N381 A385 F386 D387 P400L379-R383 WeakPolarHBondContact O-CB 3.23Å; L379-R383 WeakPolarHBondContact O-CD 3.45Å; L379-R383 VanDerWaalsContact O-CG 3.22Å; L379-R383 WeakPolarHBondContact O-CG 3.48Å; L379-R383 PolarHBondContact O-N 3.02Å; L379-R383 VanDerWaalsContact O-N 3.11Å; Q380-R383 PolarHBondContact O-N 3.44Å; N381-R383 PolarHBondContact O-N 2.98Å; R383-A385 PolarHBondContact O-N 3.07Å; R383-F386 PolarHBondContact O-N 3.39Å; R383-D387 WeakPolarHBondContact O-CB 3.28Å; R383-D387 PolarHBondContact O-N 2.85Å; R383-P400 HydrophobicContact CG-CB 3.83Å; R383-P400 HydrophobicContact CG-CG 3.71Å
384L94.9Very high92.5Very high54 Ų5454.1 Ų54.128%0.28329%0.29SS..Hα-helixtrans-57.3-47178.9178.664.2000111.9I368 L373 Q380 N381 F386 D387 V388I368-L384 HydrophobicContact CG2-CD2 4.47Å; L373-L384 HydrophobicContact CD2-CD2 3.81Å; Q380-L384 WeakPolarHBondContact O-CB 3.49Å; Q380-L384 PolarHBondContact O-N 3.39Å; N381-L384 PolarHBondContact O-N 3.18Å; L384-F386 PolarHBondContact O-N 3.16Å; L384-D387 PolarHBondContact O-N 2.99Å; L384-V388 HydrophobicContact CD1-CG2 4.36Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.4Å
385A94.8Very high92.5Very high0 Ų055.9 Ų55.90%030%0.301CS..Hα-helixtrans-60.7-45.5177.500000112.1F356 L360 N381 R383 V388 A389F356-A385 HydrophobicContact CB-CB 3.6Å; L360-A385 HydrophobicContact CD1-CB 4.03Å; L360-A385 VanDerWaalsContact CD1-O 3.23Å; L360-A385 WeakPolarHBondContact CD1-O 3.32Å; N381-A385 WeakPolarHBondContact O-CB 3.46Å; N381-A385 PolarHBondContact O-N 2.67Å; R383-A385 PolarHBondContact O-N 3.07Å; A385-V388 PolarHBondContact O-N 2.98Å; A385-A389 VanDerWaalsContact O-CB 3.28Å; A385-A389 WeakPolarHBondContact O-CB 3.11Å; A385-A389 PolarHBondContact O-N 2.81Å
386F94.8Very high92.3Very high3 Ų358.4 Ų58.41%0.01330%0.299CS..Hα-helixtrans-73.6-28.3-179-59.7-2.2000111.8F356 C382 R383 L384 S390 L398 P400 V403 Y418F356-F386 HydrophobicContact CD1-CE1 4.18Å; F356-F386 AromaticContact CD2-CE1 3.96Å; F356-F386 HydrophobicContact CD2-CE1 3.96Å; F356-F386 HydrophobicContact CD2-CZ 4.47Å; F356-F386 HydrophobicContact CE1-CE1 4.2Å; F356-F386 AromaticContact CE2-CE1 3.97Å; F356-F386 HydrophobicContact CE2-CE1 3.97Å; F356-F386 HydrophobicContact CE2-CZ 4.12Å; F356-F386 HydrophobicContact CG-CE1 4.06Å; F356-F386 HydrophobicContact CZ-CE1 4.09Å; F356-F386 HydrophobicContact CZ-CZ 4.28Å; C382-F386 HydrophobicContact CB-CZ 4.44Å; C382-F386 WeakPolarHBondContact O-CB 3.14Å; C382-F386 WeakPolarHBondContact O-CD1 3.34Å; C382-F386 WeakPolarHBondContact O-CG 3.22Å; C382-F386 PolarHBondContact O-N 2.96Å; R383-F386 PolarHBondContact O-N 3.39Å; L384-F386 PolarHBondContact O-N 3.16Å; F386-S390 WeakPolarHBondContact O-CB 3.3Å; F386-S390 PolarHBondContact O-N 3.22Å; F386-L398 WeakPolarHBondContact CD2-O 3.36Å; F386-L398 HydrophobicContact CE2-CB 3.73Å; F386-L398 WeakPolarHBondContact CE2-O 3.44Å; F386-L398 HydrophobicContact CZ-CB 4.03Å; F386-L398 HydrophobicContact CZ-CD1 4.25Å; F386-P400 HydrophobicContact CD2-CG 3.71Å; F386-P400 HydrophobicContact CE2-CG 4.02Å; F386-V403 HydrophobicContact CE2-CG2 4.42Å; F386-V403 HydrophobicContact CZ-CG2 4.24Å; F386-Y418 AromaticContact CD1-CE1 3.68Å; F386-Y418 HydrophobicContact CD1-CE1 3.68Å; F386-Y418 AromaticContact CD1-CZ 3.89Å; F386-Y418 WeakPolarHBondContact CD1-OH 3.28Å; F386-Y418 HydrophobicContact CE1-CD1 4.37Å; F386-Y418 AromaticContact CE1-CE1 3.52Å; F386-Y418 HydrophobicContact CE1-CE1 3.52Å; F386-Y418 HydrophobicContact CZ-CE1 4.21Å
387D94.5Very high92.2Very high58 Ų5854.3 Ų54.331%0.3128%0.284SS..Hα-helixtrans-66-45.4170.2-80.3-36.1000112.1R383 L384 S390 K391 R396R383-D387 WeakPolarHBondContact O-CB 3.28Å; R383-D387 PolarHBondContact O-N 2.85Å; L384-D387 PolarHBondContact O-N 2.99Å; D387-S390 PolarHBondContact O-N 3.15Å; D387-K391 WeakPolarHBondContact O-CB 3.25Å; D387-K391 VanDerWaalsContact O-CG 3.27Å; D387-K391 WeakPolarHBondContact O-CG 3.4Å; D387-K391 PolarHBondContact O-N 3.13Å; D387-R396 IonicContact OD1-CZ 2.75Å; D387-R396 IonicContact OD1-NH1 3.3Å; D387-R396 PolarHBondContact OD1-NH1 3.01Å; D387-R396 IonicContact OD1-NH2 3.68Å; D387-R396 PolarHBondContact OD1-NH2 3.49Å
388V94.1Very high92.1Very high9 Ų950.5 Ų50.56%0.05526%0.264CS..Hα-helixtrans-66.6-47.2176.5168.90000110.7L360 R367 I368 L384 A385 S390 K391 L392L360-V388 HydrophobicContact CD1-CG1 4.41Å; R367-V388 HydrophobicContact CB-CG1 3.8Å; R367-V388 WeakPolarHBondContact O-CG2 3.47Å; I368-V388 HydrophobicContact CD1-CB 4.38Å; I368-V388 HydrophobicContact CD1-CG1 4.23Å; I368-V388 HydrophobicContact CD1-CG2 4.44Å; I368-V388 HydrophobicContact CG1-CB 4.34Å; I368-V388 HydrophobicContact CG1-CG1 4.16Å; I368-V388 HydrophobicContact CG1-CG2 3.93Å; L384-V388 HydrophobicContact CD1-CG2 4.36Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.4Å; A385-V388 PolarHBondContact O-N 2.98Å; V388-S390 VanDerWaalsContact C-N 3.3Å; V388-S390 PolarHBondContact O-N 2.91Å; V388-K391 PolarHBondContact O-N 3.05Å; V388-K391 VanDerWaalsContact O-N 3.16Å; V388-L392 HydrophobicContact CG1-CD1 3.82Å; V388-L392 HydrophobicContact CG1-CG 4.45Å; V388-L392 WeakPolarHBondContact O-CB 3.39Å; V388-L392 VanDerWaalsContact O-CG 3.28Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 2.88Å
389A93.4Very high91.9Very high0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-57.3-42.2174.900000112L360 A385 L392 G393 V394 Y418L360-A389 HydrophobicContact CD1-CB 4.2Å; L360-A389 HydrophobicContact CD2-CB 4.44Å; A385-A389 VanDerWaalsContact O-CB 3.28Å; A385-A389 WeakPolarHBondContact O-CB 3.11Å; A385-A389 PolarHBondContact O-N 2.81Å; A389-L392 WeakPolarHBondContact O-CB 3.36Å; A389-L392 PolarHBondContact O-N 3.31Å; A389-G393 PolarHBondContact O-N 3.19Å; A389-V394 HydrophobicContact CB-CB 4.09Å; A389-V394 WeakPolarHBondContact O-CB 3.49Å; A389-V394 PolarHBondContact O-N 2.93Å; A389-Y418 WeakPolarHBondContact CB-OH 3.25Å
390S93.1Very high91.9Very high44 Ų4452.5 Ų52.531%0.30827%0.274SS..Hα-helixtrans-67.7-34.7176.4-179.30000113.6F386 D387 V388 L392 G393 V394 R396F386-S390 WeakPolarHBondContact O-CB 3.3Å; F386-S390 PolarHBondContact O-N 3.22Å; D387-S390 PolarHBondContact O-N 3.15Å; V388-S390 VanDerWaalsContact C-N 3.3Å; V388-S390 PolarHBondContact O-N 2.91Å; S390-L392 VanDerWaalsContact C-N 3.32Å; S390-G393 PolarHBondContact O-N 3.45Å; S390-V394 WeakPolarHBondContact CA-O 3.45Å; S390-R396 VanDerWaalsContact CB-CZ 3.5Å; S390-R396 PolarHBondContact OG-NE 3.24Å; S390-R396 PolarHBondContact OG-NH2 2.96Å
391K92Very high91.6Very high175 Ų17550.3 Ų50.376%0.76127%0.272SS*.Hα-helixtrans-71.3-27.5173.1-74.8165.5177.8172.60112.5D387 V388D387-K391 WeakPolarHBondContact O-CB 3.25Å; D387-K391 VanDerWaalsContact O-CG 3.27Å; D387-K391 WeakPolarHBondContact O-CG 3.4Å; D387-K391 PolarHBondContact O-N 3.13Å; V388-K391 PolarHBondContact O-N 3.05Å; V388-K391 VanDerWaalsContact O-N 3.16Å
392L89.1Confident91.3Very high39 Ų3955.3 Ų55.320%0.20430%0.295CS..Hα-helixtrans-78.8-25.2175-72.6168.3000112.8L360 F364 V388 A389 S390 F425L360-L392 HydrophobicContact CD2-CD1 4.22Å; F364-L392 HydrophobicContact CD1-CD2 4.11Å; F364-L392 HydrophobicContact CD2-CD1 3.53Å; F364-L392 HydrophobicContact CD2-CD2 4.37Å; F364-L392 HydrophobicContact CE1-CD2 4.17Å; F364-L392 HydrophobicContact CE2-CD1 3.77Å; F364-L392 HydrophobicContact CE2-CD2 4.41Å; F364-L392 HydrophobicContact CG-CD1 4.04Å; F364-L392 HydrophobicContact CG-CD2 4.23Å; F364-L392 HydrophobicContact CZ-CD1 4.46Å; F364-L392 HydrophobicContact CZ-CD2 4.33Å; V388-L392 HydrophobicContact CG1-CD1 3.82Å; V388-L392 HydrophobicContact CG1-CG 4.45Å; V388-L392 WeakPolarHBondContact O-CB 3.39Å; V388-L392 VanDerWaalsContact O-CG 3.28Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 2.88Å; A389-L392 WeakPolarHBondContact O-CB 3.36Å; A389-L392 PolarHBondContact O-N 3.31Å; S390-L392 VanDerWaalsContact C-N 3.32Å; L392-F425 HydrophobicContact CB-CE1 3.65Å; L392-F425 HydrophobicContact CB-CZ 3.71Å; L392-F425 HydrophobicContact CD1-CE1 4.25Å; L392-F425 HydrophobicContact CD2-CE1 4.21Å; L392-F425 HydrophobicContact CD2-CZ 4.35Å; L392-F425 HydrophobicContact CG-CE1 4.25Å; L392-F425 WeakPolarHBondContact O-CE2 3.35Å; L392-F425 WeakPolarHBondContact O-CZ 3.4Å
393G88.2Confident91.1Very high54 Ų5455.4 Ų55.456%0.55730%0.295SS*.THydrogen-bonded Turntrans121.81.5175.900000115.1A389 S390 P395A389-G393 PolarHBondContact O-N 3.19Å; S390-G393 PolarHBondContact O-N 3.45Å; G393-P395 WeakPolarHBondContact O-CD 3.13Å
394V89.9Confident90.9Very high6 Ų651.2 Ų51.24%0.03628%0.282CS..  trans-79121.1175.9-176.10000109.5A389 S390 Y418 Q421 I422 F425A389-V394 HydrophobicContact CB-CB 4.09Å; A389-V394 WeakPolarHBondContact O-CB 3.49Å; A389-V394 PolarHBondContact O-N 2.93Å; S390-V394 WeakPolarHBondContact CA-O 3.45Å; V394-Y418 HydrophobicContact CG1-CD2 4.41Å; V394-Y418 HydrophobicContact CG1-CE2 3.82Å; V394-Q421 HydrophobicContact CG1-CB 3.98Å; V394-I422 HydrophobicContact CG1-CG1 4.21Å; V394-F425 HydrophobicContact CG2-CB 3.85Å; V394-F425 HydrophobicContact CG2-CD1 4.17Å; V394-F425 HydrophobicContact CG2-CD2 4.39Å; V394-F425 HydrophobicContact CG2-CG 3.86Å
395P88.3Confident90.5Very high78 Ų7850.6 Ų50.651%0.50628%0.283SS..  trans-60.3145.9179.9-24.835.1000112.9G393 V397 Y418G393-P395 WeakPolarHBondContact O-CD 3.13Å; P395-V397 HydrophobicContact CB-CG2 4.34Å; P395-V397 PolarHBondContact O-N 2.8Å; P395-Y418 WeakPolarHBondContact O-CE2 3.46Å
396R86.9Confident89.8Confident131 Ų13160.7 Ų60.749%0.49433%0.327SS..  trans-78.8103.4174.7-60.5175.1-169.3-115.38.2109.3D387 S390D387-R396 IonicContact OD1-CZ 2.75Å; D387-R396 IonicContact OD1-NH1 3.3Å; D387-R396 PolarHBondContact OD1-NH1 3.01Å; D387-R396 IonicContact OD1-NH2 3.68Å; D387-R396 PolarHBondContact OD1-NH2 3.49Å; S390-R396 VanDerWaalsContact CB-CZ 3.5Å; S390-R396 PolarHBondContact OG-NE 3.24Å; S390-R396 PolarHBondContact OG-NH2 2.96Å
397V85.8Confident89Confident72 Ų7266.2 Ų66.244%0.43637%0.366SS..  trans-106.8-10-179.9-171.60000112.2P395 Y418P395-V397 HydrophobicContact CB-CG2 4.34Å; P395-V397 PolarHBondContact O-N 2.8Å; V397-Y418 HydrophobicContact CB-CD2 4.28Å
398L89.2Confident88.5Confident14 Ų1471 Ų717%0.07338%0.38CS..SBendtrans-125.1135-178.8-61.3-179.6000110.8F356 F386 V403 S414 M415 Y418F356-L398 HydrophobicContact CZ-CD1 4.4Å; F386-L398 WeakPolarHBondContact CD2-O 3.36Å; F386-L398 HydrophobicContact CE2-CB 3.73Å; F386-L398 WeakPolarHBondContact CE2-O 3.44Å; F386-L398 HydrophobicContact CZ-CB 4.03Å; F386-L398 HydrophobicContact CZ-CD1 4.25Å; L398-V403 HydrophobicContact CB-CG2 4.03Å; L398-V403 HydrophobicContact CD1-CG2 4.07Å; L398-S414 WeakPolarHBondContact CD2-OG 3.42Å; L398-M415 HydrophobicContact CD1-SD 3.62Å; L398-Y418 HydrophobicContact CD1-CD1 3.55Å; L398-Y418 HydrophobicContact CD1-CE1 4.37Å; L398-Y418 HydrophobicContact CD1-CG 3.84Å; L398-Y418 HydrophobicContact CG-CD1 4.19Å; L398-Y418 HydrophobicContact CG-CG 4.08Å
399D89.9Confident87.9Confident112 Ų11274 Ų7460%0.59940%0.401SS*.  trans-83.6127.2169.6-82.1-36.5000110.8S401 E402 V403D399-S401 PolarHBondContact O-N 3.41Å; D399-S401 VanDerWaalsContact O-N 3.12Å; D399-E402 HydrophobicContact CB-CG 4.32Å; D399-E402 PolarHBondContact O-N 2.96Å; D399-V403 PolarHBondContact O-N 2.86Å
400P92.2Very high87.5Confident21 Ų2174.6 Ų74.614%0.13641%0.405CS..Hα-helixtrans-53.1-35.4179-29.735.8000114L379 C382 R383 F386 V404L379-P400 HydrophobicContact CD1-CB 3.81Å; C382-P400 HydrophobicContact CB-CB 3.93Å; R383-P400 HydrophobicContact CG-CB 3.83Å; R383-P400 HydrophobicContact CG-CG 3.71Å; F386-P400 HydrophobicContact CD2-CG 3.71Å; F386-P400 HydrophobicContact CE2-CG 4.02Å; P400-V404 WeakPolarHBondContact O-CB 3.37Å; P400-V404 VanDerWaalsContact O-CG2 3.25Å; P400-V404 WeakPolarHBondContact O-CG2 3.32Å; P400-V404 PolarHBondContact O-N 3.47Å; P400-V404 VanDerWaalsContact O-N 3.12Å
401S89.4Confident87.3Confident70 Ų7076.8 Ų76.849%0.4941%0.413SS..Hα-helixtrans-66.6-37.1179.3-52.20000113.1D399 S405D399-S401 PolarHBondContact O-N 3.41Å; D399-S401 VanDerWaalsContact O-N 3.12Å; S401-S405 PolarHBondContact O-N 3.06Å; S401-S405 PolarHBondContact O-OG 3.15Å
402E87.8Confident87.2Confident108 Ų10871 Ų7151%0.50539%0.39SS..Hα-helixtrans-72.6-41177.6-70.7-149.6124.100111.2D399 V404 S405 R408D399-E402 HydrophobicContact CB-CG 4.32Å; D399-E402 PolarHBondContact O-N 2.96Å; E402-V404 PolarHBondContact O-N 3.01Å; E402-S405 WeakPolarHBondContact O-CB 3.29Å; E402-S405 PolarHBondContact O-N 2.78Å; E402-R408 IonicContact OE1-NH1 2.9Å; E402-R408 PolarHBondContact OE1-NH1 3.21Å
403V90Very high87.1Confident2 Ų273 Ų731%0.01240%0.4CS..Hα-helixtrans-63.3-43.1179.3177.60000111.5Q351 F356 F386 L398 D399 S405 M415Q351-V403 VanDerWaalsContact CG-O 3.24Å; Q351-V403 WeakPolarHBondContact CG-O 3.5Å; Q351-V403 PolarHBondContact NE2-O 2.93Å; F356-V403 HydrophobicContact CE2-CG1 4.18Å; F386-V403 HydrophobicContact CE2-CG2 4.42Å; F386-V403 HydrophobicContact CZ-CG2 4.24Å; L398-V403 HydrophobicContact CB-CG2 4.03Å; L398-V403 HydrophobicContact CD1-CG2 4.07Å; D399-V403 PolarHBondContact O-N 2.86Å; V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 2.59Å; V403-M415 HydrophobicContact CG1-CE 4.47Å; V403-M415 HydrophobicContact CG1-SD 4.34Å; V403-M415 HydrophobicContact CG2-SD 4.18Å
404V91.3Very high87.2Confident25 Ų2572.1 Ų72.115%0.15239%0.386CS..THydrogen-bonded Turntrans-81.2-4.4-174.8173.50000113.4P378 L379 C382 P400 E402 K406P378-V404 HydrophobicContact CB-CG1 3.75Å; P378-V404 HydrophobicContact CB-CG2 4.09Å; P378-V404 HydrophobicContact CG-CG1 3.58Å; L379-V404 HydrophobicContact CB-CG1 4.37Å; C382-V404 HydrophobicContact CB-CG2 4.1Å; P400-V404 WeakPolarHBondContact O-CB 3.37Å; P400-V404 VanDerWaalsContact O-CG2 3.25Å; P400-V404 WeakPolarHBondContact O-CG2 3.32Å; P400-V404 PolarHBondContact O-N 3.47Å; P400-V404 VanDerWaalsContact O-N 3.12Å; E402-V404 PolarHBondContact O-N 3.01Å; V404-K406 PolarHBondContact O-N 2.97Å; V404-K406 VanDerWaalsContact O-N 3.08Å
405S86.5Confident87.3Confident42 Ų4271.8 Ų71.829%0.29438%0.384SS..  trans-63.4109-176.4-780000113.3Q351 S401 E402 V403 S407 R408Q351-S405 PolarHBondContact NE2-O 3.47Å; Q351-S405 VanDerWaalsContact NE2-O 3.11Å; S401-S405 PolarHBondContact O-N 3.06Å; S401-S405 PolarHBondContact O-OG 3.15Å; E402-S405 WeakPolarHBondContact O-CB 3.29Å; E402-S405 PolarHBondContact O-N 2.78Å; V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 2.59Å; S405-S407 PolarHBondContact O-N 3.45Å; S405-R408 CarbonylContact O-C 3.5Å; S405-R408 PolarHBondContact O-N 3.03Å
406K79Confident87.5Confident211 Ų21169.2 Ų69.292%0.91737%0.365SS*.THydrogen-bonded Turntrans-62-23.4178-67.3-176.9178.3179.20114.1V404V404-K406 PolarHBondContact O-N 2.97Å; V404-K406 VanDerWaalsContact O-N 3.08Å
407S79.4Confident87.5Confident119 Ų11965 Ų6583%0.83235%0.354SS*.THydrogen-bonded Turntrans-86.4-16.7-178.952.20000114.4S405S405-S407 PolarHBondContact O-N 3.45Å
408R82.9Confident87.9Confident160 Ų16061.6 Ų61.660%0.60433%0.333SS*.SBendtrans-148.4112.8-173.2-179-178.5179-143.9-1.5109.1E402 S405E402-R408 IonicContact OE1-NH1 2.9Å; E402-R408 PolarHBondContact OE1-NH1 3.21Å; S405-R408 CarbonylContact O-C 3.5Å; S405-R408 PolarHBondContact O-N 3.03Å
409S80.8Confident88.1Confident71 Ų7161 Ų6150%0.49733%0.33SS..PPolyproline II helixtrans-56.8139.6169.556.30000110.3
410P86.5Confident88.2Confident13 Ų1358.6 Ų58.68%0.08432%0.315CS..PPolyproline II helixtrans-59155.6174.225.5-34.6000111T347 Q351 L412 M415T347-P410 WeakPolarHBondContact CG2-O 3.44Å; Q351-P410 HydrophobicContact CG-CG 4.49Å; P410-L412 PolarHBondContact O-N 2.67Å; P410-M415 HydrophobicContact CB-CG 3.68Å; P410-M415 HydrophobicContact CB-SD 3.8Å; P410-M415 HydrophobicContact CG-CE 4.09Å; P410-M415 HydrophobicContact CG-CG 3.81Å; P410-M415 HydrophobicContact CG-SD 3.82Å
411D88Confident88.1Confident90 Ų9060.6 Ų60.648%0.48132%0.323SS..PPolyproline II helixtrans-63.8134176.3170.151.5000111.1L413 S414 M415D411-L413 VanDerWaalsContact C-N 3.28Å; D411-L413 PolarHBondContact O-N 2.86Å; D411-L413 PolarHBondContact OD1-N 2.86Å; D411-L413 WeakPolarHBondContact OD2-CA 3.27Å; D411-L413 VanDerWaalsContact OD2-CB 3.29Å; D411-L413 WeakPolarHBondContact OD2-CB 3.42Å; D411-L413 PolarHBondContact OD2-N 3.38Å; D411-L413 VanDerWaalsContact OD2-N 3.08Å; D411-S414 PolarHBondContact O-OG 3.11Å; D411-S414 VanDerWaalsContact O-OG 3.12Å; D411-S414 PolarHBondContact OD2-N 2.64Å; D411-M415 WeakPolarHBondContact O-CB 3.44Å; D411-M415 WeakPolarHBondContact O-CG 3.34Å; D411-M415 PolarHBondContact O-N 3.48Å
412L90.1Very high88.2Confident54 Ų5457.4 Ų57.428%0.28330%0.3SS..Hα-helixtrans-61.4-38.2179.3175.268.2000111.9R324 L346 T347 P410 M416R324-L412 VanDerWaalsContact CZ-CD1 3.45Å; L346-L412 HydrophobicContact CB-CD1 4.15Å; T347-L412 HydrophobicContact CG2-CB 4.12Å; T347-L412 HydrophobicContact CG2-CD1 4.17Å; P410-L412 PolarHBondContact O-N 2.67Å; L412-M416 HydrophobicContact CD1-CG 3.96Å; L412-M416 HydrophobicContact CD1-SD 3.93Å; L412-M416 HydrophobicContact CD2-SD 4.48Å; L412-M416 HydrophobicContact CG-CG 4.32Å; L412-M416 HydrophobicContact CG-SD 4.02Å; L412-M416 VanDerWaalsContact O-CB 3.24Å; L412-M416 WeakPolarHBondContact O-CB 3.44Å; L412-M416 VanDerWaalsContact O-CG 3.28Å; L412-M416 WeakPolarHBondContact O-CG 3.31Å; L412-M416 PolarHBondContact O-N 2.7Å
413L86.7Confident88.4Confident80 Ų8054 Ų5442%0.41928%0.282SS..Hα-helixtrans-74.5-40.5-173.9-17263.5000111.1I90 D411 T417I90-L413 HydrophobicContact CD1-CD1 3.94Å; I90-L413 HydrophobicContact CD1-CD2 4.01Å; I90-L413 HydrophobicContact CD1-CG 3.79Å; I90-L413 HydrophobicContact CG1-CD2 4.22Å; D411-L413 VanDerWaalsContact C-N 3.28Å; D411-L413 PolarHBondContact O-N 2.86Å; D411-L413 PolarHBondContact OD1-N 2.86Å; D411-L413 WeakPolarHBondContact OD2-CA 3.27Å; D411-L413 VanDerWaalsContact OD2-CB 3.29Å; D411-L413 WeakPolarHBondContact OD2-CB 3.42Å; D411-L413 PolarHBondContact OD2-N 3.38Å; D411-L413 VanDerWaalsContact OD2-N 3.08Å; L413-T417 VanDerWaalsContact O-CB 3.32Å; L413-T417 WeakPolarHBondContact O-CB 3.29Å; L413-T417 PolarHBondContact O-N 2.93Å; L413-T417 PolarHBondContact O-OG1 2.88Å
414S89.9Confident88.3Confident35 Ų3557.2 Ų57.225%0.24530%0.302CS..Hα-helixtrans-64.2-46172.270.70000111.9L398 D411 T417 Y418L398-S414 WeakPolarHBondContact CD2-OG 3.42Å; D411-S414 PolarHBondContact O-OG 3.11Å; D411-S414 VanDerWaalsContact O-OG 3.12Å; D411-S414 PolarHBondContact OD2-N 2.64Å; S414-T417 PolarHBondContact O-N 2.93Å; S414-Y418 PolarHBondContact O-N 2.85Å
415M92.9Very high88.1Confident0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-59.5-48.3175.9-68.9-70.1-71.700112.2L346 T347 F350 F356 L398 V403 P410 D411 T417 Y418 L419L346-M415 VanDerWaalsContact O-CB 3.26Å; L346-M415 WeakPolarHBondContact O-CB 3.41Å; T347-M415 HydrophobicContact CG2-CG 4.46Å; F350-M415 HydrophobicContact CB-CE 3.4Å; F350-M415 VanDerWaalsContact CB-CE 3.4Å; F350-M415 HydrophobicContact CD2-CE 4.35Å; F350-M415 HydrophobicContact CG-CE 3.92Å; F356-M415 HydrophobicContact CE2-CE 4.2Å; F356-M415 HydrophobicContact CZ-CE 3.72Å; F356-M415 HydrophobicContact CZ-SD 4.21Å; L398-M415 HydrophobicContact CD1-SD 3.62Å; V403-M415 HydrophobicContact CG1-CE 4.47Å; V403-M415 HydrophobicContact CG1-SD 4.34Å; V403-M415 HydrophobicContact CG2-SD 4.18Å; P410-M415 HydrophobicContact CB-CG 3.68Å; P410-M415 HydrophobicContact CB-SD 3.8Å; P410-M415 HydrophobicContact CG-CE 4.09Å; P410-M415 HydrophobicContact CG-CG 3.81Å; P410-M415 HydrophobicContact CG-SD 3.82Å; D411-M415 WeakPolarHBondContact O-CB 3.44Å; D411-M415 WeakPolarHBondContact O-CG 3.34Å; D411-M415 PolarHBondContact O-N 3.48Å; M415-T417 VanDerWaalsContact C-N 3.29Å; M415-T417 PolarHBondContact O-N 3.34Å; M415-Y418 PolarHBondContact O-N 3.14Å; M415-L419 WeakPolarHBondContact O-CB 3.34Å; M415-L419 VanDerWaalsContact O-CG 3.31Å; M415-L419 WeakPolarHBondContact O-CG 3.35Å; M415-L419 PolarHBondContact O-N 3.33Å
416M91.7Very high88.1Confident24 Ų2456.1 Ų56.112%0.11829%0.291CS..Hα-helixtrans-62-36.3175.7-79.7-172.860.500112.4R324 L327 L346 L412 H420R324-M416 HydrophobicContact CB-CE 3.79Å; R324-M416 HydrophobicContact CB-SD 3.98Å; R324-M416 HydrophobicContact CG-CE 4.24Å; R324-M416 HydrophobicContact CG-SD 3.83Å; L327-M416 HydrophobicContact CD2-CB 4.35Å; L327-M416 HydrophobicContact CD2-CG 4.26Å; L346-M416 HydrophobicContact CB-CG 4.38Å; L346-M416 HydrophobicContact CD1-CG 3.69Å; L346-M416 HydrophobicContact CD1-SD 4.21Å; L412-M416 HydrophobicContact CD1-CG 3.96Å; L412-M416 HydrophobicContact CD1-SD 3.93Å; L412-M416 HydrophobicContact CD2-SD 4.48Å; L412-M416 HydrophobicContact CG-CG 4.32Å; L412-M416 HydrophobicContact CG-SD 4.02Å; L412-M416 VanDerWaalsContact O-CB 3.24Å; L412-M416 WeakPolarHBondContact O-CB 3.44Å; L412-M416 VanDerWaalsContact O-CG 3.28Å; L412-M416 WeakPolarHBondContact O-CG 3.31Å; L412-M416 PolarHBondContact O-N 2.7Å; M416-H420 PolarHBondContact O-N 2.74Å; M416-H420 VanDerWaalsContact O-N 3.07Å; M416-H420 PolarHBondContact O-ND1 3.06Å
417T88.3Confident88.1Confident42 Ų4247 Ų4726%0.25825%0.253SS..Hα-helixtrans-67.4-48.6179.1-59.30000110.8I90 L413 S414 M415 H420 Q421I90-T417 WeakPolarHBondContact CD1-OG1 3.42Å; L413-T417 VanDerWaalsContact O-CB 3.32Å; L413-T417 WeakPolarHBondContact O-CB 3.29Å; L413-T417 PolarHBondContact O-N 2.93Å; L413-T417 PolarHBondContact O-OG1 2.88Å; S414-T417 PolarHBondContact O-N 2.93Å; M415-T417 VanDerWaalsContact C-N 3.29Å; M415-T417 PolarHBondContact O-N 3.34Å; T417-H420 PolarHBondContact O-N 3.14Å; T417-Q421 WeakPolarHBondContact O-CG 3.37Å; T417-Q421 PolarHBondContact O-N 3.39Å
418Y93.5Very high87.6Confident1 Ų146.7 Ų46.70%0.00424%0.239CC..Hα-helixtrans-65.4-40179.6-172.8-116.4000112.4F356 F386 A389 V394 P395 V397 L398 S414 M415 H420 Q421 I422F356-Y418 HydrophobicContact CD1-CE1 4.28Å; F356-Y418 AromaticContact CE1-CD1 3.81Å; F356-Y418 HydrophobicContact CE1-CD1 3.81Å; F356-Y418 AromaticContact CE1-CE1 3.96Å; F356-Y418 HydrophobicContact CE1-CE1 3.96Å; F356-Y418 HydrophobicContact CZ-CD1 4.41Å; F386-Y418 AromaticContact CD1-CE1 3.68Å; F386-Y418 HydrophobicContact CD1-CE1 3.68Å; F386-Y418 AromaticContact CD1-CZ 3.89Å; F386-Y418 WeakPolarHBondContact CD1-OH 3.28Å; F386-Y418 HydrophobicContact CE1-CD1 4.37Å; F386-Y418 AromaticContact CE1-CE1 3.52Å; F386-Y418 HydrophobicContact CE1-CE1 3.52Å; F386-Y418 HydrophobicContact CZ-CE1 4.21Å; A389-Y418 WeakPolarHBondContact CB-OH 3.25Å; V394-Y418 HydrophobicContact CG1-CD2 4.41Å; V394-Y418 HydrophobicContact CG1-CE2 3.82Å; P395-Y418 WeakPolarHBondContact O-CE2 3.46Å; V397-Y418 HydrophobicContact CB-CD2 4.28Å; L398-Y418 HydrophobicContact CD1-CD1 3.55Å; L398-Y418 HydrophobicContact CD1-CE1 4.37Å; L398-Y418 HydrophobicContact CD1-CG 3.84Å; L398-Y418 HydrophobicContact CG-CD1 4.19Å; L398-Y418 HydrophobicContact CG-CG 4.08Å; S414-Y418 PolarHBondContact O-N 2.85Å; M415-Y418 PolarHBondContact O-N 3.14Å; Y418-H420 VanDerWaalsContact C-N 3.34Å; Y418-H420 PolarHBondContact O-N 2.98Å; Y418-Q421 WeakPolarHBondContact O-CB 3.46Å; Y418-Q421 PolarHBondContact O-N 3.02Å; Y418-Q421 VanDerWaalsContact O-N 3.13Å; Y418-I422 HydrophobicContact CD1-CD1 4.03Å; Y418-I422 HydrophobicContact CE1-CD1 3.6Å; Y418-I422 HydrophobicContact CE1-CG1 4.41Å; Y418-I422 PolarHBondContact O-N 3.25Å
419L94Very high86.4Confident0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-66.2-32.6174.7-71.7171.5000113L327 L346 F350 F356 I359 M415 R423L327-L419 HydrophobicContact CD1-CB 4.19Å; L327-L419 HydrophobicContact CD2-CB 3.7Å; L327-L419 HydrophobicContact CD2-CD1 4.44Å; L327-L419 HydrophobicContact CG-CB 4.35Å; L346-L419 HydrophobicContact CD2-CD1 4Å; F350-L419 HydrophobicContact CD1-CD1 4.48Å; F350-L419 HydrophobicContact CD1-CD2 4.25Å; F350-L419 HydrophobicContact CD2-CD1 4.42Å; F350-L419 HydrophobicContact CE1-CD1 3.97Å; F350-L419 HydrophobicContact CE1-CD2 3.58Å; F350-L419 HydrophobicContact CE1-CG 4.42Å; F350-L419 HydrophobicContact CE2-CD1 3.89Å; F350-L419 HydrophobicContact CZ-CD1 3.63Å; F350-L419 HydrophobicContact CZ-CD2 3.96Å; F350-L419 HydrophobicContact CZ-CG 4.49Å; F356-L419 HydrophobicContact CD1-CD2 4.03Å; F356-L419 HydrophobicContact CE1-CD2 3.63Å; F356-L419 HydrophobicContact CE1-CG 4.23Å; I359-L419 HydrophobicContact CD1-CD2 4.35Å; M415-L419 WeakPolarHBondContact O-CB 3.34Å; M415-L419 VanDerWaalsContact O-CG 3.31Å; M415-L419 WeakPolarHBondContact O-CG 3.35Å; M415-L419 PolarHBondContact O-N 3.33Å; L419-R423 VanDerWaalsContact O-CB 3.28Å; L419-R423 WeakPolarHBondContact O-CB 3.02Å; L419-R423 PolarHBondContact O-N 2.91Å
420H91.7Very high85.2Confident63 Ų6343.5 Ų43.529%0.29222%0.218SC..Hα-helixtrans-67.1-38.6169.3-81.690.7000112L327 M416 T417 Y418 R423 T424L327-H420 VanDerWaalsContact CD2-CE1 3.46Å; L327-H420 WeakPolarHBondContact CD2-CE1 3.32Å; L327-H420 WeakPolarHBondContact CD2-ND1 3.33Å; M416-H420 PolarHBondContact O-N 2.74Å; M416-H420 VanDerWaalsContact O-N 3.07Å; M416-H420 PolarHBondContact O-ND1 3.06Å; T417-H420 PolarHBondContact O-N 3.14Å; Y418-H420 VanDerWaalsContact C-N 3.34Å; Y418-H420 PolarHBondContact O-N 2.98Å; H420-R423 PolarHBondContact O-N 3.16Å; H420-T424 WeakPolarHBondContact O-CB 3.21Å; H420-T424 PolarHBondContact O-N 3.5Å; H420-T424 PolarHBondContact O-OG1 3.43Å; H420-T424 VanDerWaalsContact O-OG1 3.1Å
421Q90.2Very high83.5Confident63 Ų6349.5 Ų49.529%0.29424%0.243SC..Hα-helixtrans-62.6-45.4176.6-69.1170.8-27.800111.9V394 T417 Y418 T424 F425V394-Q421 HydrophobicContact CG1-CB 3.98Å; T417-Q421 WeakPolarHBondContact O-CG 3.37Å; T417-Q421 PolarHBondContact O-N 3.39Å; Y418-Q421 WeakPolarHBondContact O-CB 3.46Å; Y418-Q421 PolarHBondContact O-N 3.02Å; Y418-Q421 VanDerWaalsContact O-N 3.13Å; Q421-T424 PolarHBondContact O-N 3.08Å; Q421-F425 WeakPolarHBondContact O-CB 3.32Å; Q421-F425 PolarHBondContact O-N 3.1Å
422I91.5Very high81.4Confident2 Ų251.6 Ų51.61%0.0125%0.254CS..Hα-helixtrans-60.3-48.1173.2-64.9174.6000110.4W330 F356 I359 L360 V394 Y418 T424 F425 C426W330-I422 HydrophobicContact CH2-CG2 4.49Å; F356-I422 HydrophobicContact CD1-CD1 4.15Å; I359-I422 HydrophobicContact CG2-CG2 3.8Å; L360-I422 HydrophobicContact CD2-CG2 4.18Å; V394-I422 HydrophobicContact CG1-CG1 4.21Å; Y418-I422 HydrophobicContact CD1-CD1 4.03Å; Y418-I422 HydrophobicContact CE1-CD1 3.6Å; Y418-I422 HydrophobicContact CE1-CG1 4.41Å; Y418-I422 PolarHBondContact O-N 3.25Å; I422-T424 PolarHBondContact O-N 3.11Å; I422-F425 PolarHBondContact O-N 3.43Å; I422-C426 WeakPolarHBondContact O-CB 3.17Å; I422-C426 PolarHBondContact O-N 3.05Å; I422-C426 PolarHBondContact O-SG 2.96Å
423R92.1Very high79.6Confident36 Ų3653 Ų5314%0.13626%0.261CS..Hα-helixtrans-56.3-48.1179.1179.7173.6-173-168.84.2112.7D326 W330 L419 H420 C427 C453D326-R423 IonicContact OD2-CZ 3.99Å; D326-R423 VanDerWaalsContact OD2-CZ 3.3Å; D326-R423 IonicContact OD2-NH1 3.01Å; D326-R423 PolarHBondContact OD2-NH1 3.42Å; D326-R423 IonicContact OD2-NH2 3.66Å; D326-R423 PolarHBondContact OD2-NH2 3.33Å; W330-R423 HydrophobicContact CD2-CB 4.21Å; W330-R423 HydrophobicContact CD2-CG 3.74Å; W330-R423 HydrophobicContact CE3-CB 4Å; W330-R423 HydrophobicContact CE3-CG 4.02Å; W330-R423 HydrophobicContact CG-CG 4.31Å; W330-R423 HydrophobicContact CH2-CB 3.66Å; W330-R423 HydrophobicContact CH2-CG 4.11Å; W330-R423 HydrophobicContact CZ2-CB 3.87Å; W330-R423 HydrophobicContact CZ2-CG 3.82Å; W330-R423 HydrophobicContact CZ3-CB 3.72Å; W330-R423 HydrophobicContact CZ3-CG 4.19Å; L419-R423 VanDerWaalsContact O-CB 3.28Å; L419-R423 WeakPolarHBondContact O-CB 3.02Å; L419-R423 PolarHBondContact O-N 2.91Å; H420-R423 PolarHBondContact O-N 3.16Å; R423-C427 WeakPolarHBondContact O-CB 3.39Å; R423-C427 PolarHBondContact O-N 3.08Å; R423-C427 PolarHBondContact O-SG 2.91Å; R423-C453 PolarHBondContact NH2-SG 3.16Å
424T87Confident77.5Confident70 Ų7053 Ų5343%0.42926%0.262SS..Hα-helixtrans-59.8-53177.9-65.60000110.4H420 Q421 I422 C426 C427 E428H420-T424 WeakPolarHBondContact O-CB 3.21Å; H420-T424 PolarHBondContact O-N 3.5Å; H420-T424 PolarHBondContact O-OG1 3.43Å; H420-T424 VanDerWaalsContact O-OG1 3.1Å; Q421-T424 PolarHBondContact O-N 3.08Å; I422-T424 PolarHBondContact O-N 3.11Å; T424-C426 PolarHBondContact O-N 3.37Å; T424-C427 PolarHBondContact O-N 2.88Å; T424-E428 HydrophobicContact CG2-CG 4.22Å; T424-E428 WeakPolarHBondContact CG2-OE1 3.45Å; T424-E428 WeakPolarHBondContact O-CB 3.48Å; T424-E428 WeakPolarHBondContact O-CG 3.33Å; T424-E428 PolarHBondContact O-N 2.91Å
425F87.2Confident75.3Confident43 Ų4360 Ų6019%0.18929%0.29CS..Hα-helixtrans-57-45.9-179.7178.8-94000113F364 L392 V394 Q421 I422 R429F364-F425 HydrophobicContact CE2-CD1 4.18Å; F364-F425 AromaticContact CE2-CE1 3.78Å; F364-F425 HydrophobicContact CE2-CE1 3.78Å; F364-F425 HydrophobicContact CZ-CD1 4.19Å; F364-F425 AromaticContact CZ-CE1 3.53Å; F364-F425 HydrophobicContact CZ-CE1 3.53Å; F364-F425 HydrophobicContact CZ-CZ 4.46Å; L392-F425 HydrophobicContact CB-CE1 3.65Å; L392-F425 HydrophobicContact CB-CZ 3.71Å; L392-F425 HydrophobicContact CD1-CE1 4.25Å; L392-F425 HydrophobicContact CD2-CE1 4.21Å; L392-F425 HydrophobicContact CD2-CZ 4.35Å; L392-F425 HydrophobicContact CG-CE1 4.25Å; L392-F425 WeakPolarHBondContact O-CE2 3.35Å; L392-F425 WeakPolarHBondContact O-CZ 3.4Å; V394-F425 HydrophobicContact CG2-CB 3.85Å; V394-F425 HydrophobicContact CG2-CD1 4.17Å; V394-F425 HydrophobicContact CG2-CD2 4.39Å; V394-F425 HydrophobicContact CG2-CG 3.86Å; Q421-F425 WeakPolarHBondContact O-CB 3.32Å; Q421-F425 PolarHBondContact O-N 3.1Å; I422-F425 PolarHBondContact O-N 3.43Å; F425-R429 PolarHBondContact O-N 3.12Å
426C86.6Confident72.5Confident2 Ų267.5 Ų67.51%0.01433%0.331CS..Hα-helixtrans-63.1-45.7177.3-67.30000112.1F363 I422 T424 E428 R429 T430F363-C426 HydrophobicContact CB-CB 4.43Å; F363-C426 HydrophobicContact CD1-CB 4.05Å; F363-C426 HydrophobicContact CD2-CB 3.53Å; F363-C426 WeakPolarHBondContact CD2-SG 3.35Å; F363-C426 HydrophobicContact CE1-CB 4.18Å; F363-C426 HydrophobicContact CE2-CB 3.69Å; F363-C426 HydrophobicContact CG-CB 3.74Å; F363-C426 HydrophobicContact CZ-CB 4.01Å; I422-C426 WeakPolarHBondContact O-CB 3.17Å; I422-C426 PolarHBondContact O-N 3.05Å; I422-C426 PolarHBondContact O-SG 2.96Å; T424-C426 PolarHBondContact O-N 3.37Å; C426-E428 PolarHBondContact O-N 2.9Å; C426-R429 PolarHBondContact O-N 2.67Å; C426-T430 PolarHBondContact O-N 3.38Å
427C78.4Confident69.9Low19 Ų1969.7 Ų69.713%0.12835%0.349CS..Hα-helixtrans-79.5-12.8-177.2-60.10000114.4R423 T424 K431R423-C427 WeakPolarHBondContact O-CB 3.39Å; R423-C427 PolarHBondContact O-N 3.08Å; R423-C427 PolarHBondContact O-SG 2.91Å; T424-C427 PolarHBondContact O-N 2.88Å; C427-K431 WeakPolarHBondContact O-CE 3.28Å
428E69.6Low67.1Low113 Ų11374 Ų7453%0.52838%0.381SS..Hα-helixtrans-78.3-37.6169.2-78.9174.2173.400111.2T424 C426 N432T424-E428 HydrophobicContact CG2-CG 4.22Å; T424-E428 WeakPolarHBondContact CG2-OE1 3.45Å; T424-E428 WeakPolarHBondContact O-CB 3.48Å; T424-E428 WeakPolarHBondContact O-CG 3.33Å; T424-E428 PolarHBondContact O-N 2.91Å; C426-E428 PolarHBondContact O-N 2.9Å; E428-N432 PolarHBondContact O-ND2 2.79Å
429R58.6Low64Low139 Ų13978.1 Ų78.153%0.52541%0.408SS..Hα-helixtrans-80.1-32.1-175.1-158.6173.4-176.483.85.7114.3F425 C426 K431 N432 I433F425-R429 PolarHBondContact O-N 3.12Å; C426-R429 PolarHBondContact O-N 2.67Å; R429-K431 VanDerWaalsContact C-N 3.27Å; R429-K431 PolarHBondContact O-N 3.12Å; R429-N432 PolarHBondContact O-N 2.96Å; R429-I433 HydrophobicContact CG-CD1 4.19Å
430T55Low61.1Low24 Ų2483.5 Ų83.515%0.14744%0.441CS..Hα-helixtrans-58.3-41.1176.552.70000112F363 C426 N432 I433 L446F363-T430 HydrophobicContact CD1-CG2 4.18Å; F363-T430 HydrophobicContact CE1-CG2 4.33Å; C426-T430 PolarHBondContact O-N 3.38Å; T430-N432 PolarHBondContact O-N 2.75Å; T430-I433 PolarHBondContact O-N 2.79Å; T430-I433 VanDerWaalsContact O-N 3.1Å; T430-L446 HydrophobicContact CG2-CD2 3.78Å
431K50.7Low58.5Low140 Ų14086.8 Ų86.861%0.60946%0.461SS*.THydrogen-bonded Turntrans-60.8-8.2174.4-60.6175.2-174.6170.10115.3C427 R429C427-K431 WeakPolarHBondContact O-CE 3.28Å; R429-K431 VanDerWaalsContact C-N 3.27Å; R429-K431 PolarHBondContact O-N 3.12Å
432N44Very low56.2Low134 Ų13489 Ų8972%0.71748%0.475SS*.THydrogen-bonded Turntrans-113.74.6-179-73.2-87.6000113E428 R429 T430E428-N432 PolarHBondContact O-ND2 2.79Å; R429-N432 PolarHBondContact O-N 2.96Å; T430-N432 PolarHBondContact O-N 2.75Å
433I52.2Low53.7Low83 Ų8392.1 Ų92.143%0.42649%0.491SS..THydrogen-bonded Turntrans-112-29.6-177.1-66.8172000112.1R429 T430 E435 N436R429-I433 HydrophobicContact CG-CD1 4.19Å; T430-I433 PolarHBondContact O-N 2.79Å; T430-I433 VanDerWaalsContact O-N 3.1Å; I433-E435 PolarHBondContact O-N 2.84Å; I433-N436 PolarHBondContact O-N 3.39Å
434D43.5Very low51.4Low80 Ų8096.9 Ų96.943%0.42852%0.519SS..THydrogen-bonded Turntrans-63.8-0.8-171.9-73.7-21.7000116.4N443D434-N443 PolarHBondContact OD1-ND2 2.94Å
435E43.9Very low49.4Very low181 Ų18197.8 Ų97.885%0.84652%0.524SS*.THydrogen-bonded Turntrans-87.1-14.7177.7-74.4-96.3128.300114.5I433I433-E435 PolarHBondContact O-N 2.84Å
436N34Very low47.2Very low158 Ų15896.6 Ų96.685%0.84552%0.52SS*.SBendtrans-144.111.2-167.1-96.8-63.3000118.3I433I433-N436 PolarHBondContact O-N 3.39Å
437S36.4Very low45.1Very low71 Ų7199.5 Ų99.550%0.49754%0.535SS..  trans-143.611917656.10000113.9C439S437-C439 PolarHBondContact O-N 2.8Å
438S29.9Very low43.4Very low133 Ų13399.6 Ų99.693%0.9354%0.54SS*.  trans-93.183.6-177.143.70000113
439C28.4Very low42.3Very low87 Ų8795.4 Ų95.459%0.58852%0.52SS*.  trans-144.2130.1172.150.20000114.9S437S437-C439 PolarHBondContact O-N 2.8Å
440T31.9Very low41.8Very low112 Ų11290.3 Ų90.369%0.68750%0.503SS*.  trans65.3149.5158.945.10000119.4D442T440-D442 PolarHBondContact O-N 2.99Å
441N36.9Very low41.2Very low132 Ų13295 Ų9571%0.70652%0.524SS*.THydrogen-bonded Turntrans-84.5-6.1-163.4-63.1-70.2000114.7N443 L444N441-N443 VanDerWaalsContact C-N 3.27Å; N441-N443 PolarHBondContact O-N 3.4Å; N441-L444 WeakPolarHBondContact O-CB 3.37Å; N441-L444 PolarHBondContact O-N 2.8Å; N441-L444 VanDerWaalsContact O-N 3.15Å
442D42Very low40.8Very low109 Ų10994.5 Ų94.558%0.58352%0.523SS*.Hα-helixtrans-71.6-19.9-169.9-59.2-67.8000113.5T440 L444 V445 L446T440-D442 PolarHBondContact O-N 2.99Å; D442-L444 PolarHBondContact O-N 3.45Å; D442-V445 WeakPolarHBondContact O-CA 3.1Å; D442-V445 WeakPolarHBondContact O-CB 3.45Å; D442-V445 PolarHBondContact O-N 3.17Å; D442-L446 PolarHBondContact O-N 3.39Å
443N40.7Very low40.5Very low68 Ų6889.3 Ų89.336%0.36450%0.497SS..Hα-helixtrans-59.8-26.5171-758000112.5D434 N441 N447D434-N443 PolarHBondContact OD1-ND2 2.94Å; N441-N443 VanDerWaalsContact C-N 3.27Å; N441-N443 PolarHBondContact O-N 3.4Å; N443-N447 WeakPolarHBondContact O-CB 3.4Å; N443-N447 PolarHBondContact O-N 3.43Å; N443-N447 PolarHBondContact O-ND2 3.03Å
444L42.8Very low39.8Very low136 Ų13690.4 Ų90.471%0.71251%0.511SS*.Hα-helixtrans-69.3-34.6172.3-75.6165000112.3N441 D442 G448N441-L444 WeakPolarHBondContact O-CB 3.37Å; N441-L444 PolarHBondContact O-N 2.8Å; N441-L444 VanDerWaalsContact O-N 3.15Å; D442-L444 PolarHBondContact O-N 3.45Å; L444-G448 PolarHBondContact O-N 3.28Å
445V44.9Very low39.4Very low90 Ų9090.7 Ų90.755%0.54551%0.512SS..Hα-helixtrans-72.4-45.2175.7-178.60000109.6D442 G448 I449D442-V445 WeakPolarHBondContact O-CA 3.1Å; D442-V445 WeakPolarHBondContact O-CB 3.45Å; D442-V445 PolarHBondContact O-N 3.17Å; V445-G448 PolarHBondContact O-N 2.98Å; V445-I449 HydrophobicContact CG1-CD1 3.78Å; V445-I449 WeakPolarHBondContact O-CB 3.41Å; V445-I449 WeakPolarHBondContact O-CD1 3.47Å; V445-I449 WeakPolarHBondContact O-CG1 3.27Å; V445-I449 PolarHBondContact O-N 3.21Å
446L41.6Very low38.8Very low18 Ų1886.4 Ų86.49%0.09449%0.491CS..Hα-helixtrans-64.9-46.8178.5-163.981.8000112F363 T430 D442 G448 I449 I450F363-L446 HydrophobicContact CE1-CD1 3.93Å; F363-L446 HydrophobicContact CE1-CD2 3.93Å; F363-L446 HydrophobicContact CZ-CD1 4.06Å; T430-L446 HydrophobicContact CG2-CD2 3.78Å; D442-L446 PolarHBondContact O-N 3.39Å; L446-G448 PolarHBondContact O-N 2.81Å; L446-I449 CarbonylContact O-C 3.56Å; L446-I449 PolarHBondContact O-N 3.01Å; L446-I449 VanDerWaalsContact O-N 3.1Å; L446-I450 HydrophobicContact CD2-CD1 4.15Å; L446-I450 HydrophobicContact CG-CD1 4.08Å; L446-I450 WeakPolarHBondContact O-CG1 3.41Å; L446-I450 PolarHBondContact O-N 3.26Å
447N41.6Very low38.6Very low62 Ų6283.2 Ų83.233%0.33248%0.477SS..Hα-helixtrans-65.1-39.1176.8-74.7-35.2000111.5N443 I449 I450 E451N443-N447 WeakPolarHBondContact O-CB 3.4Å; N443-N447 PolarHBondContact O-N 3.43Å; N443-N447 PolarHBondContact O-ND2 3.03Å; N447-I449 VanDerWaalsContact C-N 3.27Å; N447-I449 PolarHBondContact O-N 3.49Å; N447-I450 PolarHBondContact O-N 2.88Å; N447-E451 WeakPolarHBondContact O-CB 3.48Å; N447-E451 WeakPolarHBondContact O-CG 3.42Å; N447-E451 PolarHBondContact O-N 3.49Å
448G42.6Very low38.3Very low22 Ų2283 Ų8323%0.22747%0.47CS..Hα-helixtrans-61.8-3017100000114L444 V445 L446 Q452L444-G448 PolarHBondContact O-N 3.28Å; V445-G448 PolarHBondContact O-N 2.98Å; L446-G448 PolarHBondContact O-N 2.81Å; G448-Q452 VanDerWaalsContact O-CB 3.26Å; G448-Q452 WeakPolarHBondContact O-CB 3.49Å; G448-Q452 WeakPolarHBondContact O-CG 3.4Å; G448-Q452 PolarHBondContact O-N 3.35Å
449I47.3Very low38.4Very low24 Ų2484.3 Ų84.312%0.12347%0.467CS..Hα-helixtrans-80-39.2174-68.9161.7000111.4L333 V445 L446 N447 E451 Q452 C453L333-I449 HydrophobicContact CB-CD1 4.08Å; L333-I449 HydrophobicContact CD1-CD1 3.86Å; L333-I449 HydrophobicContact CD1-CG1 4.07Å; L333-I449 HydrophobicContact CD1-CG2 4.17Å; L333-I449 HydrophobicContact CD2-CD1 4.31Å; L333-I449 HydrophobicContact CG-CD1 4.31Å; V445-I449 HydrophobicContact CG1-CD1 3.78Å; V445-I449 WeakPolarHBondContact O-CB 3.41Å; V445-I449 WeakPolarHBondContact O-CD1 3.47Å; V445-I449 WeakPolarHBondContact O-CG1 3.27Å; V445-I449 PolarHBondContact O-N 3.21Å; L446-I449 CarbonylContact O-C 3.56Å; L446-I449 PolarHBondContact O-N 3.01Å; L446-I449 VanDerWaalsContact O-N 3.1Å; N447-I449 VanDerWaalsContact C-N 3.27Å; N447-I449 PolarHBondContact O-N 3.49Å; I449-E451 VanDerWaalsContact C-N 3.32Å; I449-E451 PolarHBondContact O-N 3.4Å; I449-Q452 CarbonylContact O-C 3.56Å; I449-Q452 PolarHBondContact O-N 2.92Å; I449-C453 WeakPolarHBondContact O-CB 3.47Å; I449-C453 PolarHBondContact O-N 2.93Å; I449-C453 PolarHBondContact O-SG 2.95Å
450I47.1Very low38.6Very low32 Ų3285 Ų8516%0.16447%0.472CS..Hα-helixtrans-59.9-46173.2-70.2164.9000109.3L446 N447 C453 C454L446-I450 HydrophobicContact CD2-CD1 4.15Å; L446-I450 HydrophobicContact CG-CD1 4.08Å; L446-I450 WeakPolarHBondContact O-CG1 3.41Å; L446-I450 PolarHBondContact O-N 3.26Å; N447-I450 PolarHBondContact O-N 2.88Å; I450-C453 PolarHBondContact O-N 3.25Å; I450-C454 WeakPolarHBondContact O-CB 3.42Å; I450-C454 PolarHBondContact O-N 3.35Å; I450-C454 PolarHBondContact O-SG 2.88Å; I450-C454 VanDerWaalsContact O-SG 3.38Å
451E42.3Very low38.6Very low124 Ų12487.7 Ų87.758%0.57948%0.477SS*.Hα-helixtrans-59.4-53.3169.5-75.5-165.4157.800111.8N447 I449 C453 C454 I455N447-E451 WeakPolarHBondContact O-CB 3.48Å; N447-E451 WeakPolarHBondContact O-CG 3.42Å; N447-E451 PolarHBondContact O-N 3.49Å; I449-E451 VanDerWaalsContact C-N 3.32Å; I449-E451 PolarHBondContact O-N 3.4Å; E451-C453 PolarHBondContact O-N 2.94Å; E451-C453 VanDerWaalsContact O-N 3.16Å; E451-C454 CarbonylContact O-C 3.57Å; E451-C454 PolarHBondContact O-N 3.45Å; E451-C454 VanDerWaalsContact O-N 3.14Å; E451-I455 HydrophobicContact CB-CD1 3.91Å; E451-I455 HydrophobicContact CG-CD1 4.12Å; E451-I455 WeakPolarHBondContact O-CA 3.47Å; E451-I455 WeakPolarHBondContact O-CB 3.49Å; E451-I455 WeakPolarHBondContact O-CG1 3.4Å; E451-I455 PolarHBondContact O-N 3.41Å
452Q42.4Very low38.4Very low128 Ų12888.4 Ų88.460%0.59849%0.486SS*.Hα-helixtrans-66-18.5-178.7-76.6179.929.100114.5G448 I449 K456G448-Q452 VanDerWaalsContact O-CB 3.26Å; G448-Q452 WeakPolarHBondContact O-CB 3.49Å; G448-Q452 WeakPolarHBondContact O-CG 3.4Å; G448-Q452 PolarHBondContact O-N 3.35Å; I449-Q452 CarbonylContact O-C 3.56Å; I449-Q452 PolarHBondContact O-N 2.92Å; Q452-K456 WeakPolarHBondContact O-CD 3.47Å; Q452-K456 WeakPolarHBondContact O-CE 3.25Å; Q452-K456 WeakPolarHBondContact O-CG 3.45Å; Q452-K456 PolarHBondContact O-NZ 3.03Å
453C38.3Very low38.1Very low25 Ų2590.1 Ų90.117%0.16950%0.496CS..Hα-helixtrans-88.9-31.5172.8-64.90000112D326 R423 I449 I450 E451D326-C453 PolarHBondContact OD1-SG 2.83Å; D326-C453 WeakPolarHBondContact OD2-CB 3.44Å; D326-C453 PolarHBondContact OD2-SG 3.1Å; D326-C453 VanDerWaalsContact OD2-SG 3.39Å; R423-C453 PolarHBondContact NH2-SG 3.16Å; I449-C453 WeakPolarHBondContact O-CB 3.47Å; I449-C453 PolarHBondContact O-N 2.93Å; I449-C453 PolarHBondContact O-SG 2.95Å; I450-C453 PolarHBondContact O-N 3.25Å; E451-C453 PolarHBondContact O-N 2.94Å; E451-C453 VanDerWaalsContact O-N 3.16Å
454C37.3Very low37.5Very low107 Ų10795.5 Ų95.572%0.72352%0.518SS*.Hα-helixtrans-82.7-18.6173.5-670000114.3I450 E451I450-C454 WeakPolarHBondContact O-CB 3.42Å; I450-C454 PolarHBondContact O-N 3.35Å; I450-C454 PolarHBondContact O-SG 2.88Å; I450-C454 VanDerWaalsContact O-SG 3.38Å; E451-C454 CarbonylContact O-C 3.57Å; E451-C454 PolarHBondContact O-N 3.45Å; E451-C454 VanDerWaalsContact O-N 3.14Å
455I35.6Very low37.1Very low85 Ų8593.8 Ų93.844%0.43652%0.518SS..  trans-116.317.9-170-51.8171.9000112.1E451 T457E451-I455 HydrophobicContact CB-CD1 3.91Å; E451-I455 HydrophobicContact CG-CD1 4.12Å; E451-I455 WeakPolarHBondContact O-CA 3.47Å; E451-I455 WeakPolarHBondContact O-CB 3.49Å; E451-I455 WeakPolarHBondContact O-CG1 3.4Å; E451-I455 PolarHBondContact O-N 3.41Å; I455-T457 PolarHBondContact O-N 3.47Å
456K31.1Very low36.4Very low92 Ų9296.1 Ų96.140%0.453%0.527SS..  trans-73.231.3173-91.5164.1-160129.90115.1D326 Q452D326-K456 IonicContact OD1-NZ 2.66Å; D326-K456 PolarHBondContact OD1-NZ 2.89Å; Q452-K456 WeakPolarHBondContact O-CD 3.47Å; Q452-K456 WeakPolarHBondContact O-CE 3.25Å; Q452-K456 WeakPolarHBondContact O-CG 3.45Å; Q452-K456 PolarHBondContact O-NZ 3.03Å
457T30.1Very low35.8Very low91 Ų91104 Ų10456%0.55856%0.563SS**SBendtrans-128.2132.3148.1720000110.1I455I455-T457 PolarHBondContact O-N 3.47Å
458N30.9Very low35.2Very low67 Ų67109.7 Ų109.736%0.35859%0.588SS.*  trans63.298.8-179-16.5-82.6000114.8V147V147-N458 HydrophobicContact CG2-CB 4.08Å
459N32Very low34.7Very low159 Ų159116 Ų11685%0.8562%0.616SS**  trans-164.394.8138.9-101-8.8000109.8
460S30.9Very low34.1Very low101 Ų101123.8 Ų123.871%0.70665%0.652SS**  trans-123.1153155.454.30000106.8
461E32.5Very low33.5Very low169 Ų169129.2 Ų129.279%0.7968%0.681SS**  trans73.173.8175-56.4165.9-158.800115.7
462T33.2Very low33.8Very low147 Ų147128.9 Ų128.990%0.90269%0.69SS**  trans-102.1136.6133.139.30000108.7
463N34.3Very low33.6Very low146 Ų146128.3 Ų128.378%0.78170%0.697SS**  trans-90.9156.3-169-63.1-62.1000112.6
464H29.7Very low33.7Very low180 Ų180135.3 Ų135.383%0.83373%0.733SS**  trans-125.3101174-128.5-54.6000111
465S32.9Very low33.8Very low101 Ų101138.5 Ų138.571%0.70674%0.737SS**  trans-164.897.3169510000106.5
466L30.8Very low33.8Very low139 Ų139141 Ų14173%0.72875%0.752SS**  63.1112.972.5-69.5176.9000113.6
467Q28.5Very low34.2Very low183 Ų183140.6 Ų140.686%0.85576%0.76SS**  trans62.8142.1164.8-61.4165.2-7300114.1
468E29.9Very low34.5Very low182 Ų182142.6 Ų142.685%0.8577%0.768SS**  cis-124.7168.722.5-67.5152.4145.700112.5
469N31.6Very low34.8Very low154 Ų154146.6 Ų146.682%0.82479%0.789SS**  trans-146.5101.2171.4-152.252000108.1
470E35.2Very low35.1Very low188 Ų188145.1 Ų145.188%0.87979%0.785SS**PPolyproline II helixtrans-77.6138.5179.5-63.5-171.2124.900111
471N33.4Very low35.4Very low146 Ų146148.7 Ų148.778%0.78179%0.788SS**PPolyproline II helixtrans-99.6132.1164.2-73.4-33.5000108.5
472P50.1Low35.6Very low117 Ų117147 Ų14776%0.7679%0.785SS**PPolyproline II helixtrans-71148.8162.632.2-33.4000109.9
473P37.1Very low35.9Very low115 Ų115146.3 Ų146.375%0.74778%0.775SS**PPolyproline II helixtrans-80.3148.8166.434.5-33.1000110.6
474D40.5Very low36.2Very low173 Ų173146 Ų14693%0.92577%0.773SS**  trans-162.7149.1141.6-103.5-30000109.6
475E39Very low36.5Very low173 Ų173142.3 Ų142.381%0.80877%0.767SS**  trans-96.3134.1-173.2-57-179.3134.200111.6
476N36.1Very low36.7Very low139 Ų139144.4 Ų144.474%0.74377%0.77SS**  178.1117.7111.5-100.6-73.6000115.5
477S38.7Very low37.4Very low83 Ų83142.1 Ų142.158%0.5876%0.764SS**  trans28.4133.6134.871.70000123.6
478N38Very low37.7Very low133 Ų133140.2 Ų140.271%0.71176%0.76SS**  trans98.3122140.9-57.1-39.1000122.2
479N35.9Very low38.2Very low150 Ų150141.6 Ų141.680%0.80276%0.763SS**  trans70.3143.2134.9-71.7-20.7000119.9
480V39.1Very low38.2Very low128 Ų128138.9 Ų138.978%0.77676%0.762SS**  cis-133160.43.3-178.30000111.2
481K36.5Very low38.2Very low176 Ų176137 Ų13777%0.76576%0.763SS**  trans-54.4158.4171.5-50.5163.2-177.4175.10116
482N37.7Very low38Very low135 Ų135140.6 Ų140.672%0.72277%0.766SS**  170.6121.1117.4-843.2000107.7
483D37.9Very low37.1Very low131 Ų131139.9 Ų139.970%0.70176%0.764SS**  72.113677.8-69.2-28.2000112.8
484L40.8Very low36.9Very low140 Ų140141.8 Ų141.873%0.73377%0.773SS**  cis-160156.316.7-155.879.7000113
485S36.2Very low36.5Very low102 Ų102139.1 Ų139.171%0.71377%0.768SS**  trans61.4156.8146.461.60000122.2
486N36.9Very low36.4Very low145 Ų145140.8 Ų140.878%0.77577%0.773SS**  cis-164.7153.4-34.7-158.760.3000108.5
487P46.2Very low36.4Very low92 Ų92144.3 Ų144.360%0.59778%0.781SS**  trans-99.6176.5-177.139.3-35.3000114.1
488D35.9Very low36.2Very low142 Ų142150.2 Ų150.276%0.75980%0.797SS**  166.1135.5120.5-95-27.9000115.6
489K38.9Very low36.3Very low211 Ų211150.8 Ų150.892%0.91780%0.798SS**  175.6145.2120.2-96.3163.9-173.51730112.3
490A31.6Very low36.6Very low98 Ų98149.4 Ų149.481%0.8180%0.797SS**  trans-143.2139-174.200000113.7
491V35Very low36.5Very low148 Ų148151.4 Ų151.490%0.89780%0.802SS**  trans-152.8145.7166.5-174.70000107.7
492R30.9Very low37.2Very low222 Ų222147.9 Ų147.984%0.83879%0.79SS**  cis-178.6101.7-39178170.9-157.3-152.75.7106.4
493S29.6Very low38.6Very low102 Ų102147.5 Ų147.571%0.71379%0.788SS**  trans41.8133.8154.866.10000122.7
494T33.6Very low39.6Very low154 Ų154148.9 Ų148.995%0.94578%0.784SS**  -145.4155.4120.938.50000110.3
495S32.6Very low41.2Very low117 Ų117146.6 Ų146.682%0.81877%0.77SS**  trans-107.1136.1-170.156.90000113.9
496K37.3Very low43.2Very low209 Ų209147.1 Ų147.191%0.90976%0.761SS**  trans-126.3144.8164-71.3-177.6179.3175.60110.6K498K496-K498 PolarHBondContact O-N 3.18Å
497K34.3Very low44.8Very low213 Ų213145.8 Ų145.893%0.92675%0.752SS**PPolyproline II helixtrans-64.9123.1-169.2-65.5175178.31760111.9
498K35.7Very low46.4Very low207 Ų207143.6 Ų143.690%0.974%0.735SS**PPolyproline II helixtrans-76.6119.1164.6-94.3-176.4173.9177.90109.8K496K496-K498 PolarHBondContact O-N 3.18Å
499I39.2Very low48.5Very low145 Ų145140.4 Ų140.474%0.74472%0.72SS**PPolyproline II helixtrans-71.2139.4163.2-65.3162.8000107.8L501I499-L501 PolarHBondContact O-N 2.98Å
500P42.2Very low50.5Low120 Ų120136.4 Ų136.478%0.77970%0.703SS**  trans-67.296.1173.3-18.832.4000111.1M502P500-M502 PolarHBondContact O-N 3.38Å
501L37.7Very low52.7Low170 Ų170133.9 Ų133.989%0.8968%0.682SS**  trans-64.7102.7164.9-89.7160.8000108.2I499 N503I499-L501 PolarHBondContact O-N 2.98Å; L501-N503 PolarHBondContact O-N 3.03Å; L501-N503 VanDerWaalsContact O-N 3.14Å
502M52Low55Low102 Ų102133.2 Ų133.250%0.50266%0.663SS.*  trans-58118.8172.4-108.9-173173.200108.8P500P500-M502 PolarHBondContact O-N 3.38Å
503N65.6Low57.5Low127 Ų127125.6 Ų125.668%0.67964%0.644SS**  trans-59.7149.7-176.1-161-0.4000110.8L501 E505 H506 M507L501-N503 PolarHBondContact O-N 3.03Å; L501-N503 VanDerWaalsContact O-N 3.14Å; N503-E505 VanDerWaalsContact C-N 3.32Å; N503-E505 PolarHBondContact O-N 2.92Å; N503-H506 WeakPolarHBondContact O-CA 3.48Å; N503-H506 WeakPolarHBondContact O-CB 3.45Å; N503-H506 PolarHBondContact O-N 3.39Å; N503-M507 PolarHBondContact O-N 2.84Å
504Y60.5Low59.9Low160 Ų160125.4 Ų125.463%0.62764%0.635SS**Hα-helixtrans-55.7-42.9-170175.5-113.3000112.9H506 M507 L508Y504-H506 VanDerWaalsContact C-N 3.26Å; Y504-H506 PolarHBondContact O-N 3.43Å; Y504-M507 WeakPolarHBondContact O-CB 3.45Å; Y504-M507 PolarHBondContact O-N 3.01Å; Y504-L508 HydrophobicContact CD1-CD1 3.98Å; Y504-L508 HydrophobicContact CD1-CG 4.35Å; Y504-L508 HydrophobicContact CE1-CD1 3.43Å; Y504-L508 VanDerWaalsContact CE1-CD1 3.43Å; Y504-L508 HydrophobicContact CE1-CG 3.98Å; Y504-L508 HydrophobicContact CE2-CD1 4.47Å; Y504-L508 HydrophobicContact CE2-CD2 4.22Å; Y504-L508 HydrophobicContact CE2-CG 4.16Å; Y504-L508 PolarHBondContact O-N 3.2Å
505E72.6Confident61.9Low92 Ų92123.6 Ų123.643%0.4362%0.619SS.*Hα-helixtrans-61.3-30.6174-93.6-57.9144.900113.8N503 M507 T509 R512N503-E505 VanDerWaalsContact C-N 3.32Å; N503-E505 PolarHBondContact O-N 2.92Å; E505-M507 VanDerWaalsContact C-N 3.35Å; E505-T509 WeakPolarHBondContact O-CB 3.45Å; E505-T509 PolarHBondContact O-N 3.27Å; E505-T509 PolarHBondContact O-OG1 3.08Å; E505-R512 IonicContact OE1-NH1 2.79Å; E505-R512 IonicContact OE1-NH2 3.9Å; E505-R512 IonicContact OE2-CZ 3.82Å; E505-R512 IonicContact OE2-NH1 3.23Å; E505-R512 PolarHBondContact OE2-NH1 3.49Å; E505-R512 IonicContact OE2-NH2 2.67Å
506H78Confident64Low113 Ų113124.4 Ų124.452%0.52361%0.609SS.*Hα-helixtrans-71.1-34.9175.6-143.6106.5000111N503 Y504 K510N503-H506 WeakPolarHBondContact O-CA 3.48Å; N503-H506 WeakPolarHBondContact O-CB 3.45Å; N503-H506 PolarHBondContact O-N 3.39Å; Y504-H506 VanDerWaalsContact C-N 3.26Å; Y504-H506 PolarHBondContact O-N 3.43Å; H506-K510 WeakPolarHBondContact O-CB 3.47Å; H506-K510 PolarHBondContact O-N 3.13Å
507M70.7Confident65.7Low118 Ų118119.6 Ų119.658%0.58159%0.59SS**Hα-helixtrans-70.6-44.1173.2-158.7-173-54.800111.5N503 Y504 E505 K510 A511N503-M507 PolarHBondContact O-N 2.84Å; Y504-M507 WeakPolarHBondContact O-CB 3.45Å; Y504-M507 PolarHBondContact O-N 3.01Å; E505-M507 VanDerWaalsContact C-N 3.35Å; M507-K510 PolarHBondContact O-N 3.11Å; M507-A511 WeakPolarHBondContact O-CB 3.46Å; M507-A511 PolarHBondContact O-N 2.97Å
508L79.7Confident67.4Low46 Ų46111.6 Ų111.624%0.24156%0.561CS.*Hα-helixtrans-60.9-45.4173.5-73.8-174.5000112Y504 K510 A511 R512Y504-L508 HydrophobicContact CD1-CD1 3.98Å; Y504-L508 HydrophobicContact CD1-CG 4.35Å; Y504-L508 HydrophobicContact CE1-CD1 3.43Å; Y504-L508 VanDerWaalsContact CE1-CD1 3.43Å; Y504-L508 HydrophobicContact CE1-CG 3.98Å; Y504-L508 HydrophobicContact CE2-CD1 4.47Å; Y504-L508 HydrophobicContact CE2-CD2 4.22Å; Y504-L508 HydrophobicContact CE2-CG 4.16Å; Y504-L508 PolarHBondContact O-N 3.2Å; L508-K510 VanDerWaalsContact C-N 3.34Å; L508-K510 PolarHBondContact O-N 2.87Å; L508-A511 CarbonylContact O-C 3.58Å; L508-A511 WeakPolarHBondContact O-CB 3.23Å; L508-A511 PolarHBondContact O-N 3.06Å; L508-A511 VanDerWaalsContact O-N 3.15Å; L508-R512 WeakPolarHBondContact O-CB 3.22Å; L508-R512 VanDerWaalsContact O-CG 3.3Å; L508-R512 WeakPolarHBondContact O-CG 3.27Å; L508-R512 PolarHBondContact O-N 3.28Å
509T80.5Confident69.1Low75 Ų75111.2 Ų111.246%0.4655%0.554SS.*Hα-helixtrans-63.6-40.2178.8-64.30000111.5E505 R512 S513E505-T509 WeakPolarHBondContact O-CB 3.45Å; E505-T509 PolarHBondContact O-N 3.27Å; E505-T509 PolarHBondContact O-OG1 3.08Å; T509-R512 PolarHBondContact O-N 3.06Å; T509-S513 WeakPolarHBondContact O-CB 3.41Å; T509-S513 PolarHBondContact O-N 3.08Å
510K81.2Confident70.3Confident127 Ų127109.8 Ų109.855%0.55255%0.547SS*.Hα-helixtrans-64.5-38.9172.6-164.2167.8-172.9170.70112.1H506 M507 L508 S513 L514H506-K510 WeakPolarHBondContact O-CB 3.47Å; H506-K510 PolarHBondContact O-N 3.13Å; M507-K510 PolarHBondContact O-N 3.11Å; L508-K510 VanDerWaalsContact C-N 3.34Å; L508-K510 PolarHBondContact O-N 2.87Å; K510-S513 PolarHBondContact O-N 3.35Å; K510-L514 HydrophobicContact CG-CD1 4.37Å; K510-L514 VanDerWaalsContact O-CG 3.3Å; K510-L514 WeakPolarHBondContact O-CG 3.49Å; K510-L514 PolarHBondContact O-N 2.79Å
511A77.1Confident71Confident45 Ų45109.9 Ų109.937%0.37254%0.541SS..Hα-helixtrans-67.2-43.9174.600000112.7M507 L508 S513 L514 L515M507-A511 WeakPolarHBondContact O-CB 3.46Å; M507-A511 PolarHBondContact O-N 2.97Å; L508-A511 CarbonylContact O-C 3.58Å; L508-A511 WeakPolarHBondContact O-CB 3.23Å; L508-A511 PolarHBondContact O-N 3.06Å; L508-A511 VanDerWaalsContact O-N 3.15Å; A511-S513 VanDerWaalsContact C-N 3.34Å; A511-S513 PolarHBondContact O-N 2.8Å; A511-L514 PolarHBondContact O-N 3.42Å; A511-L515 WeakPolarHBondContact O-CB 3.49Å; A511-L515 WeakPolarHBondContact O-CG 3.47Å; A511-L515 PolarHBondContact O-N 3.39Å
512R84.8Confident71.4Confident133 Ų133111.7 Ų111.750%0.50254%0.538SS..Hα-helixtrans-56.4-47.3173-70.5170.4-174.3133-2.2110.4E505 L508 T509 L515 Q516E505-R512 IonicContact OE1-NH1 2.79Å; E505-R512 IonicContact OE1-NH2 3.9Å; E505-R512 IonicContact OE2-CZ 3.82Å; E505-R512 IonicContact OE2-NH1 3.23Å; E505-R512 PolarHBondContact OE2-NH1 3.49Å; E505-R512 IonicContact OE2-NH2 2.67Å; L508-R512 WeakPolarHBondContact O-CB 3.22Å; L508-R512 VanDerWaalsContact O-CG 3.3Å; L508-R512 WeakPolarHBondContact O-CG 3.27Å; L508-R512 PolarHBondContact O-N 3.28Å; T509-R512 PolarHBondContact O-N 3.06Å; R512-L515 PolarHBondContact O-N 3.42Å; R512-Q516 PolarHBondContact O-N 3.33Å
513S83.1Confident71.1Confident62 Ų62113.7 Ų113.743%0.43455%0.55SS..Hα-helixtrans-61.5-46.2177.5-177.40000112.9T509 K510 A511 L515 Q516 Q517T509-S513 WeakPolarHBondContact O-CB 3.41Å; T509-S513 PolarHBondContact O-N 3.08Å; K510-S513 PolarHBondContact O-N 3.35Å; A511-S513 VanDerWaalsContact C-N 3.34Å; A511-S513 PolarHBondContact O-N 2.8Å; S513-L515 VanDerWaalsContact C-N 3.34Å; S513-L515 PolarHBondContact O-N 3.22Å; S513-Q516 PolarHBondContact O-N 3.09Å; S513-Q516 VanDerWaalsContact O-N 3.13Å; S513-Q517 PolarHBondContact O-N 3.48Å
514L80.2Confident69.8Low98 Ų98110.4 Ų110.451%0.51354%0.54SS..Hα-helixtrans-66.1-33.2176.4-70.6168.3000112.9K510 A511 Q516 S518K510-L514 HydrophobicContact CG-CD1 4.37Å; K510-L514 VanDerWaalsContact O-CG 3.3Å; K510-L514 WeakPolarHBondContact O-CG 3.49Å; K510-L514 PolarHBondContact O-N 2.79Å; A511-L514 PolarHBondContact O-N 3.42Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-S518 WeakPolarHBondContact O-CB 3.44Å; L514-S518 PolarHBondContact O-N 2.72Å; L514-S518 PolarHBondContact O-OG 2.83Å
515L74.7Confident68.6Low116 Ų116109 Ų10961%0.60755%0.55SS**Hα-helixtrans-68.8-32.9171.9-74.9168.2000112.1A511 R512 S513 S518 R519A511-L515 WeakPolarHBondContact O-CB 3.49Å; A511-L515 WeakPolarHBondContact O-CG 3.47Å; A511-L515 PolarHBondContact O-N 3.39Å; R512-L515 PolarHBondContact O-N 3.42Å; S513-L515 VanDerWaalsContact C-N 3.34Å; S513-L515 PolarHBondContact O-N 3.22Å; L515-S518 WeakPolarHBondContact CA-OG 3.41Å; L515-S518 PolarHBondContact O-OG 3.23Å; L515-S518 VanDerWaalsContact O-OG 3.11Å; L515-R519 WeakPolarHBondContact O-CB 3.35Å; L515-R519 WeakPolarHBondContact O-CG 3.33Å; L515-R519 PolarHBondContact O-N 3.12Å; L515-R519 VanDerWaalsContact O-N 3.08Å
516Q76.9Confident67Low134 Ų134111 Ų11163%0.62657%0.569SS**Hα-helixtrans-74.3-41.5175-167.7165.3-9.900111.9R512 S513 L514 R519 L520R512-Q516 PolarHBondContact O-N 3.33Å; S513-Q516 PolarHBondContact O-N 3.09Å; S513-Q516 VanDerWaalsContact O-N 3.13Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; Q516-R519 PolarHBondContact O-N 3.24Å; Q516-L520 WeakPolarHBondContact O-CG 3.29Å; Q516-L520 PolarHBondContact O-N 3.05Å; Q516-L520 VanDerWaalsContact O-N 3.08Å
517Q73.4Confident65Low108 Ų108111.1 Ų111.151%0.50558%0.583SS.*Hα-helixtrans-61-45.6171.8-75-175.7-18.200112.2S513 R519 L520 N521S513-Q517 PolarHBondContact O-N 3.48Å; Q517-R519 PolarHBondContact O-N 2.81Å; Q517-L520 PolarHBondContact O-N 2.99Å; Q517-N521 PolarHBondContact O-N 2.99Å; Q517-N521 PolarHBondContact O-OD1 2.88Å
518S70Confident63.4Low45 Ų45117 Ų11732%0.31560%0.599SS.*Hα-helixtrans-65.1-37177.153.20000112.5L514 L515 L520 N521 Y522L514-S518 WeakPolarHBondContact O-CB 3.44Å; L514-S518 PolarHBondContact O-N 2.72Å; L514-S518 PolarHBondContact O-OG 2.83Å; L515-S518 WeakPolarHBondContact CA-OG 3.41Å; L515-S518 PolarHBondContact O-OG 3.23Å; L515-S518 VanDerWaalsContact O-OG 3.11Å; S518-L520 VanDerWaalsContact C-N 3.33Å; S518-L520 PolarHBondContact O-N 3.11Å; S518-N521 PolarHBondContact O-N 2.71Å; S518-Y522 WeakPolarHBondContact O-CD2 3.47Å; S518-Y522 PolarHBondContact O-N 3.21Å; S518-Y522 VanDerWaalsContact O-N 3.12Å
519R70.2Confident61.3Low200 Ų200121.2 Ų121.276%0.75563%0.629SS**Hα-helixtrans-59.6-38170.3-86.6-177.3167.4-175.2-2.6113.7L515 Q516 Q517L515-R519 WeakPolarHBondContact O-CB 3.35Å; L515-R519 WeakPolarHBondContact O-CG 3.33Å; L515-R519 PolarHBondContact O-N 3.12Å; L515-R519 VanDerWaalsContact O-N 3.08Å; Q516-R519 PolarHBondContact O-N 3.24Å; Q517-R519 PolarHBondContact O-N 2.81Å
520L64.6Low59.2Low114 Ų114120.9 Ų120.960%0.59764%0.641SS**Hα-helixtrans-70.9-40.1175.1-68.9172.7000111.7Q516 Q517 S518 Y522 L523Q516-L520 WeakPolarHBondContact O-CG 3.29Å; Q516-L520 PolarHBondContact O-N 3.05Å; Q516-L520 VanDerWaalsContact O-N 3.08Å; Q517-L520 PolarHBondContact O-N 2.99Å; S518-L520 VanDerWaalsContact C-N 3.33Å; S518-L520 PolarHBondContact O-N 3.11Å; L520-Y522 PolarHBondContact O-N 3.22Å; L520-L523 PolarHBondContact O-N 2.71Å
521N56.7Low57.2Low123 Ų123119.7 Ų119.766%0.65865%0.654SS**Hα-helixtrans-64.9-25.5177.9-70.3-1.8000113.2Q517 S518 L523Q517-N521 PolarHBondContact O-N 2.99Å; Q517-N521 PolarHBondContact O-OD1 2.88Å; S518-N521 PolarHBondContact O-N 2.71Å; N521-L523 PolarHBondContact O-N 3.4Å
522Y47.8Very low55.4Low208 Ų208125.6 Ų125.682%0.81668%0.679SS**THydrogen-bonded Turntrans-77.2-0.2171.7-77.5-62.7000114.8S518 L520S518-Y522 WeakPolarHBondContact O-CD2 3.47Å; S518-Y522 PolarHBondContact O-N 3.21Å; S518-Y522 VanDerWaalsContact O-N 3.12Å; L520-Y522 PolarHBondContact O-N 3.22Å
523L45.7Very low53.9Low143 Ų143124.9 Ų124.975%0.74969%0.691SS**THydrogen-bonded Turntrans-106.82.9173.6-67.6170.3000113.3L520 N521 P525L520-L523 PolarHBondContact O-N 2.71Å; N521-L523 PolarHBondContact O-N 3.4Å; L523-P525 WeakPolarHBondContact O-CD 3.35Å
524A36.9Very low51.8Low58 Ų58128.2 Ų128.248%0.47971%0.711SS.*  trans-80.6119.1173.600000111T526A524-T526 PolarHBondContact O-N 3.12Å; A524-T526 VanDerWaalsContact O-N 3.16Å
525P34.9Very low49.5Very low130 Ų130132 Ų13284%0.84473%0.731SS**  trans-81.794.4179.332.1-33.3000111.1L523L523-P525 WeakPolarHBondContact O-CD 3.35Å
526T39.4Very low47.8Very low134 Ų134130.2 Ų130.282%0.82273%0.733SS**  trans-105.4123.4172.949.90000111.7A524A524-T526 PolarHBondContact O-N 3.12Å; A524-T526 VanDerWaalsContact O-N 3.16Å
527S37Very low45.9Very low117 Ų117131.5 Ų131.582%0.81874%0.739SS**  trans-104.4110.9-17046.70000112.8
528R36.4Very low44.2Very low241 Ų241132.5 Ų132.591%0.90976%0.755SS**  trans-164129.6148.7-121.2177.2179.6-158.3-2.2113.1
529P35.3Very low42.6Very low134 Ų134140.8 Ų140.887%0.8778%0.779SS**  trans-93.4149.5171.435.6-32.3000112.6
530G37.4Very low41.1Very low69 Ų69139.7 Ų139.771%0.71178%0.78SS**  trans-158.798.4165.400000107.9
531A39.1Very low39.6Very low101 Ų101139.6 Ų139.684%0.83579%0.789SS**  80.586.991.600000112.7
532L38.9Very low38.9Very low169 Ų169142.2 Ų142.289%0.88580%0.797SS**  trans-113.9136160.8-72.9173.3000108.5
533P52.5Low38.3Very low118 Ų118137.6 Ų137.677%0.76679%0.792SS**  trans-77.6152175.231.7-34.2000112.4
534P39.4Very low37.7Very low132 Ų132139.1 Ų139.186%0.85780%0.799SS**  trans-91.3-179.7-174.337-37.3000115.4
535L32.6Very low37.7Very low178 Ų178141.7 Ų141.793%0.93281%0.813SS**  trans-77.4139-168.2-61.2159.4000115.8
536A39Very low37.5Very low78 Ų78138.8 Ų138.865%0.64581%0.807SS**  trans-166.9152.6152.900000109.2
537H37.4Very low37.3Very low162 Ų162137.6 Ų137.675%0.7580%0.804SS**  cis-142.4163.2-3.4-63-91.6000110
538P36.3Very low37.1Very low129 Ų129138.9 Ų138.984%0.83880%0.801SS**  trans-94.9114.9169.534.2-30.2000113.8
539R37Very low37Very low218 Ų218133.5 Ų133.582%0.82380%0.796SS**  trans-157.2154.9168.5-65.8-174.8-178.2154.50.9107.8
540K38.1Very low36.8Very low177 Ų177131.2 Ų131.277%0.7779%0.788SS**  cis-154.8171.6-17.6-117.6-173.5177.3-172.10106.5
541S33.6Very low36.8Very low113 Ų113135.3 Ų135.379%0.7979%0.792SS**  trans-65.8145.716842.40000111.8
542H41.6Very low36.7Very low178 Ų178139 Ų13982%0.82479%0.792SS**  trans-109.8146.7167.5-82.8-89000110.4
543P35.7Very low36.4Very low110 Ų110136 Ų13671%0.71478%0.784SS**  trans-89.6162-170.136.4-36.8000113.4
544I33.5Very low35.8Very low176 Ų176136.2 Ų136.290%0.90378%0.783SS**  trans-71.9134.2157.1-62.4169000107.6
545S36.9Very low35.7Very low111 Ų111136.3 Ų136.378%0.77678%0.777SS**  trans-138.7119.8168.8-170.60000109.2
546G31.3Very low36Very low69 Ų69135.2 Ų135.271%0.71177%0.767SS**  trans-109.5140.2171.700000110.3
547S34.1Very low36.1Very low109 Ų109136.5 Ų136.576%0.76276%0.763SS**  trans-163145.9175.4-98.30000107.8
548L33.1Very low36.1Very low144 Ų144137 Ų13775%0.75476%0.763SS**  cis-155.61800.5-135.8171.5000108.1
549T34.2Very low36.2Very low129 Ų129135.9 Ų135.979%0.79175%0.75SS**  trans71.4141.4172.671.20000116.6
550A32.3Very low36Very low86 Ų86135.3 Ų135.371%0.71175%0.748SS**  cis-164.7-175.2-16.900000110.3
551I36.7Very low35.9Very low154 Ų154133.8 Ų133.879%0.7975%0.748SS**  trans96.788.2163.4-51.1171.3000117.7
552H36.2Very low35.8Very low180 Ų180133.9 Ų133.983%0.83375%0.749SS**  trans61.3148.8131.3-72.7-83.4000125.7
553S33.7Very low35.5Very low105 Ų105132 Ų13273%0.73475%0.749SS**  trans71.3120.3173.3-58.20000117
554V39.2Very low35.5Very low122 Ų122131.5 Ų131.574%0.73976%0.755SS**  cis73.2121.647.7-178.80000109.9
555D38Very low35.6Very low135 Ų135126.2 Ų126.272%0.72274%0.744SS**  cis-116.8160.719-80.7-62.3000113.6
556E38.8Very low35.6Very low155 Ų155130.4 Ų130.472%0.72475%0.751SS**  53.5137.874.7-74.1-163-167.500114.9
557N39.8Very low35.8Very low104 Ų104132.1 Ų132.156%0.55675%0.752SS**  cis-164.8151.514.8-120.8-14.3000115
558F38.8Very low35.8Very low174 Ų174133.6 Ų133.676%0.76375%0.751SS**  trans56.3159.3137-85.4-135.1000122.4
559N37.9Very low36Very low104 Ų104132.2 Ų132.256%0.55675%0.748SS**  cis-164.4145.1-25.9-142.9-6.4000113.3
560R33.3Very low35.8Very low206 Ų206132.6 Ų132.678%0.77775%0.745SS**  trans49.9162.5134.5-90.5177.7-171-161.52.9127.2
561N35.9Very low36Very low146 Ų146134.5 Ų134.578%0.78175%0.748SS**  trans84.1122.6162.3-55.7-26.1000116.3
562S31.1Very low35.7Very low114 Ų114132.6 Ų132.680%0.79774%0.744SS**  cis90.7158.516.2-155.10000116.6
563V35.8Very low35.6Very low139 Ų139131.5 Ų131.584%0.84274%0.744SS**  trans83.9143-165.5-176.80000113.7
564A34.2Very low35.7Very low100 Ų100132 Ų13283%0.82674%0.743SS**  cis156.6156.7-39.100000110.1
565G36.8Very low35.3Very low65 Ų65134 Ų13467%0.6775%0.749SS**  trans130.3117.9-174.300000109.9
566E36Very low35.2Very low198 Ų198130.4 Ų130.493%0.92574%0.744SS**  72.8138.560-62-173.6166.900112.8
567S35.4Very low35.1Very low105 Ų105132.1 Ų132.173%0.73475%0.752SS**  cis-148-177.716.9-161.30000114.7
568L34.2Very low34.6Very low141 Ų141134.4 Ų134.474%0.73876%0.764SS**  trans-72.4175.2178.8-52.7103.2000112
569T36.9Very low34.6Very low115 Ų115135.5 Ų135.571%0.70677%0.771SS**  -174.5134.660.345.70000111.3
570N31.6Very low34.2Very low136 Ų136141 Ų14173%0.72778%0.784SS**  75.9153.495.6-60.2-17.8000120.1
571T35.6Very low34.2Very low126 Ų126138 Ų13877%0.77378%0.783SS**  trans94.2112.8156.7-33.30000116.2
572T31Very low34.2Very low115 Ų115137.1 Ų137.171%0.70678%0.783SS**  cis106.2136.725.850.20000116.6
573L33.1Very low34.2Very low156 Ų156137.6 Ų137.682%0.81778%0.777SS**  trans71158160-62158.2000116.4
574T36.2Very low34.2Very low117 Ų117137.2 Ų137.272%0.71878%0.775SS**  cis-155.4142.8-0.810.80000106.6
575D31.8Very low34.2Very low162 Ų162141 Ų14187%0.86677%0.772SS**  93.3145.860.6-163.925.8000115
576G35.2Very low34Very low60 Ų60146.4 Ų146.462%0.61979%0.785SS**  trans88.9151.817700000116.9
577Q36.7Very low33.5Very low191 Ų191141.2 Ų141.289%0.89377%0.77SS**  cis-149169.4-9.3-78.9-165.9-16.900111.3
578N29.6Very low33.5Very low152 Ų152142.9 Ų142.981%0.81378%0.776SS**  trans-93.6152.1-178.9-62-84.4000113.3
579H39.1Very low33.4Very low197 Ų197145.4 Ų145.491%0.91278%0.781SS**  trans-145.2171147-96.5-72.5000111.7
580R28.1Very low33.2Very low220 Ų220148.9 Ų148.983%0.8379%0.788SS**  trans-147.2162.3-150.9-171.9-166.8173.2-169.2-1.3112
581L34.3Very low33.1Very low144 Ų144154.3 Ų154.375%0.75480%0.799SS**  trans82.8148.6171.3-47.9173.1000113.9
582T35.1Very low33.1Very low126 Ų126157.6 Ų157.677%0.77380%0.802SS**  cis-138.4173.66.221.30000112.9
583D31.4Very low33.2Very low125 Ų125157.6 Ų157.667%0.66881%0.807SS**  trans-41.3165.3165.4-66.9-99000116.8
584T36Very low33.3Very low130 Ų130159 Ų15980%0.79881%0.809SS**  cis-146.4142.437.950.10000118.4
585K33.9Very low33.3Very low179 Ų179163.1 Ų163.178%0.77882%0.817SS**  trans-8.1133.6153.1-56.8161.7-173.8166.90119.8
586L32.9Very low33.5Very low179 Ų179160.8 Ų160.894%0.93781%0.809SS**  -157163117.3-110.2165.6000110.9
587C26.5Very low33.6Very low90 Ų90165.6 Ų165.661%0.60882%0.82SS**  trans-140.8128.4-157.4165.30000114.9
588T34.3Very low33.8Very low140 Ų140163.7 Ų163.786%0.85981%0.805SS**  trans-131.2139.915753.60000110.5
589K31.8Very low34.2Very low193 Ų193166.9 Ų166.984%0.83981%0.806SS**  trans-103.3111.5-168.3-67.4174.3179.8171.10112
590H32.4Very low34.3Very low188 Ų188164.6 Ų164.687%0.8779%0.794SS**  trans-112.2108.4165.5-104-79.7000112K592H590-K592 PolarHBondContact O-N 3.2Å
591R30.7Very low35.3Very low251 Ų251157.3 Ų157.395%0.94777%0.771SS**  trans-80.197.3-176.4-172.1179.3-174.5178.12111.1
592K35.9Very low36.3Very low195 Ų195157.2 Ų157.285%0.84878%0.782SS**PPolyproline II helixtrans-70.2130.5170-68.3178.1179.91740110H590H590-K592 PolarHBondContact O-N 3.2Å
593S33.1Very low37.5Very low115 Ų115156.5 Ų156.580%0.80477%0.774SS**PPolyproline II helixtrans-87.9140.9170.446.70000110.8
594H34.1Very low38.1Very low184 Ų184153.3 Ų153.385%0.85277%0.77SS**PPolyproline II helixtrans-72.8133.4-178.1-79.1-125000111.4T596H594-T596 PolarHBondContact O-N 3.02Å
595K36.2Very low38.8Very low204 Ų204150 Ų15089%0.88775%0.75SS**  trans-82.4104.5163-83.2-179175174.60109.1L597K595-L597 PolarHBondContact O-N 2.89Å
596T37Very low39.5Very low113 Ų113145.3 Ų145.369%0.69373%0.732SS**  trans-71.3115.5167.5-44.90000109.2H594H594-T596 PolarHBondContact O-N 3.02Å
597L36.9Very low40Very low162 Ų162141 Ų14185%0.84872%0.716SS**PPolyproline II helixtrans-84118.4173.8-81.8166.5000110K595 R599K595-L597 PolarHBondContact O-N 2.89Å; L597-R599 PolarHBondContact O-N 3.32Å
598Y40.1Very low40.9Very low150 Ų150143 Ų14359%0.58872%0.72SS**PPolyproline II helixtrans-71.1120.2168.6-65.8-85.1000109.3I606 I608Y598-I606 HydrophobicContact CD1-CG2 3.79Å; Y598-I606 HydrophobicContact CG-CG2 4.39Å; Y598-I608 HydrophobicContact CE1-CG1 4.46Å
599R39.6Very low41.3Very low220 Ų220141.3 Ų141.383%0.8371%0.711SS**PPolyproline II helixtrans-92.2132.4173.8-157.4175.3-166.6169.53.7108.9L597L597-R599 PolarHBondContact O-N 3.32Å
600F40.5Very low41.4Very low149 Ų149138.1 Ų138.165%0.65470%0.703SS**BIsolated β-bridgetrans-82.6139.1170.2-75.8-95.9000109.8I606F600-I606 HydrophobicContact CD1-CD1 4.23Å; F600-I606 HydrophobicContact CD1-CG1 3.88Å; F600-I606 HydrophobicContact CE1-CD1 3.64Å; F600-I606 HydrophobicContact CE1-CG1 3.82Å; F600-I606 HydrophobicContact CG-CG1 4.46Å; F600-I606 HydrophobicContact CZ-CD1 3.82Å; F600-I606 HydrophobicContact CZ-CG1 4.33Å
601N48.8Very low41.8Very low67 Ų67134.7 Ų134.736%0.35870%0.695SS.*PPolyproline II helixtrans-84.9159.1166.9-67.7-24.8000110.3D603 G604 T605N601-D603 WeakPolarHBondContact CB-OD1 3.4Å; N601-D603 PolarHBondContact O-N 2.74Å; N601-G604 PolarHBondContact O-N 3.05Å; N601-T605 WeakPolarHBondContact CB-OG1 3.06Å; N601-T605 PolarHBondContact N-O 2.69Å; N601-T605 PolarHBondContact ND2-OG1 2.95Å
602S54.3Low41.8Very low141 Ų141129.3 Ų129.399%0.98669%0.685SS**THydrogen-bonded Turntrans-67.3-13179.846.40000114.4
603D62.1Low41.8Very low112 Ų112125.4 Ų125.460%0.59968%0.678SS**THydrogen-bonded Turntrans-901.217370.9-12.5000113.5N601 T605N601-D603 WeakPolarHBondContact CB-OD1 3.4Å; N601-D603 PolarHBondContact O-N 2.74Å; D603-T605 WeakPolarHBondContact OD1-CB 3.42Å; D603-T605 WeakPolarHBondContact OD1-CG2 3.46Å; D603-T605 PolarHBondContact OD1-N 3.26Å; D603-T605 PolarHBondContact OD1-OG1 3.39Å; D603-T605 VanDerWaalsContact OD2-CG2 3.31Å; D603-T605 WeakPolarHBondContact OD2-CG2 3.42Å; D603-T605 PolarHBondContact OD2-OG1 3.45Å
604G43.8Very low41.7Very low57 Ų57125.4 Ų125.459%0.58868%0.678SS**SBendtrans82.96.3-177.200000115N601N601-G604 PolarHBondContact O-N 3.05Å
605T49.2Very low41.7Very low62 Ų62124.4 Ų124.438%0.3868%0.678SS.*  trans-82156.117563.60000112.8N601 D603N601-T605 WeakPolarHBondContact CB-OG1 3.06Å; N601-T605 PolarHBondContact N-O 2.69Å; N601-T605 PolarHBondContact ND2-OG1 2.95Å; D603-T605 WeakPolarHBondContact OD1-CB 3.42Å; D603-T605 WeakPolarHBondContact OD1-CG2 3.46Å; D603-T605 PolarHBondContact OD1-N 3.26Å; D603-T605 PolarHBondContact OD1-OG1 3.39Å; D603-T605 VanDerWaalsContact OD2-CG2 3.31Å; D603-T605 WeakPolarHBondContact OD2-CG2 3.42Å; D603-T605 PolarHBondContact OD2-OG1 3.45Å
606I49.5Very low41.5Very low79 Ų79122.2 Ų122.241%0.40568%0.676SS.*BIsolated β-bridgetrans-124.1122.9171.4-58.8171.2000107.3Y598 F600Y598-I606 HydrophobicContact CD1-CG2 3.79Å; Y598-I606 HydrophobicContact CG-CG2 4.39Å; F600-I606 HydrophobicContact CD1-CD1 4.23Å; F600-I606 HydrophobicContact CD1-CG1 3.88Å; F600-I606 HydrophobicContact CE1-CD1 3.64Å; F600-I606 HydrophobicContact CE1-CG1 3.82Å; F600-I606 HydrophobicContact CG-CG1 4.46Å; F600-I606 HydrophobicContact CZ-CD1 3.82Å; F600-I606 HydrophobicContact CZ-CG1 4.33Å
607C42.9Very low41.3Very low89 Ų89121.5 Ų121.560%0.60168%0.675SS**  trans-82.6131.8173.9-62.50000110.3
608I46.7Very low41Very low133 Ų133121.3 Ų121.368%0.68267%0.674SS**  trans-113115172.5-55.9178.1000107.4Y598 N610Y598-I608 HydrophobicContact CE1-CG1 4.46Å; I608-N610 PolarHBondContact O-N 3.27Å
609P41.3Very low40.6Very low103 Ų103118.7 Ų118.767%0.66968%0.677SS**  trans-67.7128.8173.1-17.931.5000110.6
610N34.5Very low40.2Very low126 Ų126116.9 Ų116.967%0.67468%0.676SS**  trans-81.2131166.1-162.461.7000108.7I608 D612I608-N610 PolarHBondContact O-N 3.27Å; N610-D612 PolarHBondContact ND2-OD1 2.86Å; N610-D612 PolarHBondContact ND2-OD2 3.3Å
611V40.1Very low39.9Very low117 Ų117115.9 Ų115.971%0.70968%0.684SS**  trans-121.792.8176.6-178.50000108.1
612D31.7Very low39Very low138 Ų138122.3 Ų122.374%0.73871%0.709SS**  trans-73.3126.6172.9-60.2-61.2000109.5N610N610-D612 PolarHBondContact ND2-OD1 2.86Å; N610-D612 PolarHBondContact ND2-OD2 3.3Å
613T35.2Very low37.8Very low113 Ų113126.4 Ų126.469%0.69370%0.703SS**  trans-131.389.8175.7-51.10000110.2
614S30.4Very low36.4Very low115 Ų115130.5 Ų130.580%0.80472%0.716SS**  trans-85114.7171.655.30000110.5
615L35.9Very low35.8Very low162 Ų162132.1 Ų132.185%0.84872%0.718SS**  trans-135.3129.6163-76.7178.4000110.3
616N30.1Very low34.9Very low158 Ų158135.6 Ų135.685%0.84574%0.74SS**  trans-85.3152.6178.9-75.6-41.3000111.7
617S32.7Very low34.3Very low98 Ų98136.5 Ų136.569%0.68575%0.753SS**  143.9142.1116.465.70000114.1
618I31.9Very low34Very low158 Ų158138.5 Ų138.581%0.8176%0.757SS**  trans60.3136150.5-62.1158.4000117.5
619S31.6Very low33.5Very low95 Ų95138.7 Ų138.766%0.66476%0.758SS**  cis-172171.2-22.564.30000106.5
620K31.9Very low33.2Very low183 Ų183143 Ų14380%0.79677%0.767SS**  cis-144154.36.1-52168.6-177.6171.70108.2
621P32.7Very low33.3Very low128 Ų128141.6 Ų141.683%0.83177%0.765SS**PPolyproline II helixtrans-87.2150.5168.635.1-33000112.5
622F30.7Very low33Very low201 Ų201142.3 Ų142.388%0.88277%0.769SS**PPolyproline II helixtrans-103.7141.6171.1-116.6-90.6000111.2
623R28.6Very low33.1Very low227 Ų227143.1 Ų143.186%0.85777%0.773SS**PPolyproline II helixtrans-101.6154.9173.4-76.8-177.8173.8175.9-2.2110.9
624F32.7Very low33.1Very low198 Ų198142 Ų14287%0.86877%0.77SS**  trans-127.7171.6141.9-92.3-80.9000109.3
625S31Very low33.3Very low92 Ų92145.7 Ų145.764%0.64377%0.772SS**  trans-110.3159.6-139.1-53.10000116.3
626T30.7Very low33.3Very low135 Ų135143.3 Ų143.383%0.82877%0.766SS**  trans38.2133141.254.10000119.5
627S37.8Very low33.3Very low97 Ų97141.3 Ų141.368%0.67876%0.759SS**  cis-157.9178.222.557.80000108.8
628N35.4Very low33.4Very low131 Ų131145.2 Ų145.270%0.70177%0.767SS**  cis-164157.934.1-115.8-26.5000111
629I36.4Very low33.5Very low137 Ų137142.9 Ų142.970%0.70377%0.765SS**  trans46.8133139.4-56.4164.6000120.4
630F35.2Very low33.4Very low195 Ų195144 Ų14486%0.85577%0.767SS**  cis-156.1165.6-19.1-126.3-102.2000107.3
631P37.4Very low33.5Very low96 Ų96142 Ų14262%0.62377%0.77SS**  trans-124.4-153-15744.2-30.8000116.1
632T33.4Very low33.2Very low131 Ų131142.5 Ų142.580%0.80477%0.766SS**  trans90.3147.217975.20000114.9
633L33.6Very low33.3Very low156 Ų156139.8 Ų139.882%0.81777%0.766SS**  cis-135.9173.225-158.764.7000114.8
634S35.9Very low33.3Very low90 Ų90140 Ų14063%0.62977%0.767SS**  trans-53.2174-176.668.10000117.9
635K34.7Very low33Very low192 Ų192140.3 Ų140.384%0.83577%0.768SS**  cis-164.8161.825.7-145.9159-173.7178.70112.5
636P34.6Very low32.8Very low112 Ų112141.7 Ų141.773%0.72778%0.778SS**  trans-127.2-165.7-175.941.5-25.9000116
637T31.2Very low32.8Very low116 Ų116140.8 Ų140.871%0.71277%0.774SS**  trans97.7143151.74.20000122.2
638Q34.1Very low32.5Very low180 Ų180145.3 Ų145.384%0.84179%0.785SS**  trans74.4145.5159.3-68.1170.329.300118.1
639S33.3Very low32.3Very low109 Ų109148.3 Ų148.376%0.76280%0.795SS**  cis-155.3159.7-5.848.10000114.7
640T29.1Very low31.9Very low118 Ų118150.2 Ų150.272%0.72480%0.803SS**  trans-42.4143.6171.4-380000118.4
641V34.2Very low31.8Very low140 Ų140150.1 Ų150.185%0.84880%0.802SS**  -156.4138.7130172.90000109.1
642D26.4Very low31.5Very low139 Ų139151 Ų15174%0.74381%0.805SS**  trans-90.9147.7178.3-59.8-84.5000114.7
643T32.6Very low31.6Very low145 Ų145155.2 Ų155.289%0.8981%0.807SS**  trans-150.2160.2150.6-46.50000110.5
644R28.7Very low31.6Very low230 Ų230159.4 Ų159.487%0.86881%0.811SS**  trans-98.1145.7-152.4-60.3174-174.8161.31.9116.3
645F27.1Very low31.6Very low206 Ų206160.4 Ų160.490%0.90481%0.809SS**  trans10.7127.8150.4-67-90.7000121.3
646S27.3Very low31.7Very low120 Ų120161.1 Ų161.184%0.83981%0.807SS**  -153.3143.9123.6-165.90000110.1
647P30.9Very low31.9Very low116 Ų116162.4 Ų162.475%0.75381%0.806SS**  trans-110.6127.1-166.736.9-27.6000115
648E31.4Very low32.3Very low193 Ų193161.5 Ų161.590%0.90281%0.805SS**  trans-151.698.5161.9-144.4174.8-138.200113.5
649Q29.9Very low32.9Very low194 Ų194158.1 Ų158.191%0.90779%0.789SS**  trans-144.491.8165.2-77.4-158.639.700111.4
650M29.3Very low33.2Very low177 Ų177158.4 Ų158.487%0.87278%0.78SS**  trans-118.174.7173.3-154.8175.9-161.300111.3V652M650-V652 PolarHBondContact O-N 2.83Å
651K31.8Very low33.7Very low192 Ų192159 Ų15984%0.83578%0.779SS**  trans-81.375.1-172-159.4162.3-169.3164.70112.7R653K651-R653 PolarHBondContact O-N 2.86Å; K651-R653 VanDerWaalsContact O-N 3.15Å
652V32.3Very low33.9Very low116 Ų116159.8 Ų159.870%0.70378%0.777SS**  trans-56.2112.7-178.9-179.20000111.8M650 R654M650-V652 PolarHBondContact O-N 2.83Å; V652-R654 PolarHBondContact O-N 3.2Å
653R34.4Very low34.5Very low219 Ų219162.2 Ų162.283%0.82678%0.782SS**  trans-89.6100.5172.9-72.8179.7172.5142.3-3110.4K651 L655K651-R653 PolarHBondContact O-N 2.86Å; K651-R653 VanDerWaalsContact O-N 3.15Å; R653-L655 PolarHBondContact O-N 3.18Å
654R34.8Very low34.7Very low243 Ų243159.1 Ų159.192%0.91777%0.771SS**  trans-66.398.6167.1-76.8-179172161.2-2.7110.1V652V652-R654 PolarHBondContact O-N 3.2Å
655L35.2Very low35Very low112 Ų112153.6 Ų153.659%0.58677%0.767SS**  trans-76.3144168.5-57.3179.9000109.6R653R653-L655 PolarHBondContact O-N 3.18Å
656R37.6Very low35.2Very low207 Ų207147.7 Ų147.778%0.78176%0.764SS**  trans-80.1154173.9-78.9-161.5175.8-1650.6110.8S658 Q659R656-S658 PolarHBondContact O-N 3.46Å; R656-Q659 WeakPolarHBondContact O-CB 3.44Å; R656-Q659 PolarHBondContact O-N 3Å
657L38.8Very low35.8Very low138 Ų138153.7 Ų153.772%0.72377%0.769SS**Hα-helixtrans-55.5-27.9-174.5-156.773.6000113.9Q659 M660L657-Q659 VanDerWaalsContact C-N 3.25Å; L657-Q659 PolarHBondContact O-N 3.38Å; L657-M660 HydrophobicContact CD1-SD 3.88Å; L657-M660 PolarHBondContact O-N 3.31Å
658S39.5Very low35.9Very low98 Ų98152.1 Ų152.169%0.68577%0.773SS**Hα-helixtrans-60.8-29.417348.80000113.8R656R656-S658 PolarHBondContact O-N 3.46Å
659Q45.7Very low35.9Very low109 Ų109149.3 Ų149.351%0.50978%0.775SS.*Hα-helixtrans-83.8-18177.9-65.8173.3-38.100113R656 L657 N661R656-Q659 WeakPolarHBondContact O-CB 3.44Å; R656-Q659 PolarHBondContact O-N 3Å; L657-Q659 VanDerWaalsContact C-N 3.25Å; L657-Q659 PolarHBondContact O-N 3.38Å; Q659-N661 VanDerWaalsContact C-N 3.34Å; Q659-N661 PolarHBondContact O-N 3Å
660M39.4Very low36Very low115 Ų115143.5 Ų143.557%0.56777%0.767SS**Hα-helixtrans-77.1-17.5-178.5-67.1176.766.400113.5L657 L662L657-M660 HydrophobicContact CD1-SD 3.88Å; L657-M660 PolarHBondContact O-N 3.31Å; M660-L662 PolarHBondContact O-N 2.74Å
661N41.2Very low36.1Very low131 Ų131139.3 Ų139.370%0.70176%0.76SS**THydrogen-bonded Turntrans-70.9-8.6179.6-81.1-45.2000114.6Q659Q659-N661 VanDerWaalsContact C-N 3.34Å; Q659-N661 PolarHBondContact O-N 3Å
662L38.1Very low36.2Very low155 Ų155136 Ų13681%0.81276%0.759SS**THydrogen-bonded Turntrans-84.6-9.9-175.8-131.673.6000115.1M660M660-L662 PolarHBondContact O-N 2.74Å
663F39Very low36.3Very low191 Ų191136.6 Ų136.684%0.83876%0.762SS**SBendtrans-114.63.8-172.8-69.2-82000114.8
664A36.2Very low36.2Very low80 Ų80131.5 Ų131.566%0.66176%0.757SS**SBendtrans-110.530.7-169.900000114.8
665S35.6Very low36.3Very low114 Ų114127.3 Ų127.380%0.79775%0.752SS**  trans-138.946.2179-70.90000113.5R667S665-R667 PolarHBondContact O-N 3Å
666G30.7Very low36.2Very low81 Ų81133.2 Ų133.284%0.83577%0.766SS**  trans-85.257.4178.400000115.5
667R39.2Very low35.9Very low247 Ų247131 Ų13193%0.93277%0.768SS**  trans-154.8134.8159.8-63.1-168.3-171-169.64.7108.9S665S665-R667 PolarHBondContact O-N 3Å
668G33.3Very low35.7Very low82 Ų82127.5 Ų127.585%0.84577%0.765SS**  cis163.6108.1-9.100000112.1
669S31.1Very low35.2Very low135 Ų135131.6 Ų131.694%0.94477%0.774SS**SBendtrans-160.8146159-1730000108.5
670G33.2Very low34.8Very low72 Ų72135.2 Ų135.274%0.74279%0.79SS**  trans99.152.8-167.700000113.5
671A31.8Very low34.6Very low88 Ų88138 Ų13873%0.72780%0.801SS**PPolyproline II helixtrans-66.3139.7161.300000109.4V673A671-V673 PolarHBondContact O-N 2.58Å
672P32.6Very low34.1Very low123 Ų123138.3 Ų138.380%0.79980%0.802SS**PPolyproline II helixtrans-70.1124.3175.628.8-32.9000109.7P674P672-P674 WeakPolarHBondContact O-CD 3.5Å
673V35.2Very low33.9Very low128 Ų128138.3 Ų138.378%0.77680%0.803SS**PPolyproline II helixtrans-71121.9171.7178.20000108.4A671 I675A671-V673 PolarHBondContact O-N 2.58Å; V673-I675 PolarHBondContact O-N 3.14Å
674P33Very low33.5Very low112 Ų112136.1 Ų136.173%0.72780%0.8SS**  trans-75.4108.417530.1-31.9000109.3P672 R676P672-P674 WeakPolarHBondContact O-CD 3.5Å; P674-R676 PolarHBondContact O-N 3.19Å; P674-R676 VanDerWaalsContact O-N 3.12Å
675I36Very low33.6Very low156 Ų156142.3 Ų142.380%0.881%0.812SS**  trans-66.1111.5168.3-60.9176.3000107.3V673 I677V673-I675 PolarHBondContact O-N 3.14Å; I675-I677 PolarHBondContact O-N 3.07Å
676R33.9Very low33.6Very low235 Ų235141.9 Ų141.989%0.88781%0.805SS**  trans-69.6118.6165.3-77.5-179.3173157.3-3.7107.9P674 G678P674-R676 PolarHBondContact O-N 3.19Å; P674-R676 VanDerWaalsContact O-N 3.12Å; R676-G678 PolarHBondContact O-N 3.18Å
677I31.6Very low33.9Very low161 Ų161144.3 Ų144.383%0.82680%0.799SS**  trans-71.3108.8159.1-62171.4000105.4I675I675-I677 PolarHBondContact O-N 3.07Å
678G33.9Very low33.7Very low64 Ų64139.3 Ų139.366%0.6679%0.79SS**  trans-88.9120171.600000109.2R676 H680R676-G678 PolarHBondContact O-N 3.18Å; G678-H680 PolarHBondContact O-N 2.87Å
679E29.2Very low33.5Very low184 Ų184146.2 Ų146.286%0.8679%0.791SS**  trans-69.1120.2168.4-61.8170.4132.900108.4
680H36.9Very low33.7Very low186 Ų186146 Ų14686%0.86178%0.784SS**  trans-138.6128.2160.7-98-79.9000110.8G678G678-H680 PolarHBondContact O-N 2.87Å
681H34.9Very low33.8Very low172 Ų172150 Ų15080%0.79678%0.784SS**  trans-12.5139.7176.3-130.4-87.1000119.1
682L30.6Very low33.8Very low138 Ų138151.3 Ų151.372%0.72378%0.782SS**  trans-66.2144.9157-58.190.4000109.4
683D34.7Very low33.8Very low155 Ų155151.2 Ų151.283%0.82978%0.784SS**  trans-146.2122.3138.7-105.4-39.2000109.6
684N31.2Very low33.6Very low145 Ų145151.1 Ų151.178%0.77578%0.784SS**  trans-94.4124.9175.4-80.8-32.2000108.8
685K36.2Very low33.7Very low210 Ų210150.5 Ų150.591%0.91379%0.788SS**  trans-141.3142.5152.6-150163.4-172.2173.40111.7
686T36.6Very low33.4Very low105 Ų105148.7 Ų148.764%0.64479%0.785SS**  trans-107.4166.4-156.653.50000113.4
687D36.6Very low33.4Very low133 Ų133146 Ų14671%0.71179%0.787SS**  trans92.9143.2144.6-57.2-40.4000123.5
688N35.6Very low33.3Very low141 Ų141146.8 Ų146.875%0.75479%0.787SS**  trans76.265.9146.8-62.4-18.7000122.7
689R29.2Very low33.2Very low228 Ų228148.8 Ų148.886%0.8679%0.791SS**  12.5103.9109.7-174.9-166.4-169.31744.2118.8
690T35.2Very low33.5Very low131 Ų131146.5 Ų146.580%0.80478%0.783SS**  trans-170.7132.414326.70000107.1
691H35Very low33.2Very low156 Ų156143.7 Ų143.772%0.72278%0.781SS**  cis114.9121.639.7-114.9-84.3000110.9
692V32.2Very low33.3Very low115 Ų115142.7 Ų142.770%0.69778%0.781SS**  trans63.1115.8159.2-1650000119.7
693S32.9Very low33.1Very low121 Ų121147.5 Ų147.585%0.84679%0.789SS**  -171.2136.6116.1-82.10000115
694T30.6Very low33Very low126 Ų126146.8 Ų146.877%0.77378%0.784SS**  trans-71.6142.3-174.9-45.80000115
695A34.3Very low33.1Very low98 Ų98147.6 Ų147.681%0.8179%0.785SS**  trans-162.989150.200000114.2
696T30.7Very low32.8Very low119 Ų119146.1 Ų146.173%0.7378%0.782SS**  trans7.7127.4141.8-450000121.2
697L34.3Very low32.7Very low177 Ų177150.9 Ų150.993%0.92779%0.794SS**  trans-155.2141133.4-113.4172.7000110.2
698Q29.2Very low32.3Very low179 Ų179149.2 Ų149.284%0.83679%0.792SS**  trans-150109-164.4179.6-177.4-5.600112.9
699S32.3Very low32.5Very low106 Ų106148.5 Ų148.574%0.74180%0.795SS**  trans-173.3158.9168.851.30000110.7
700I33.8Very low32.8Very low136 Ų136145.7 Ų145.770%0.69779%0.79SS**  cis-148138.7-28-97.6157.4000104.9I702I700-I702 HydrophobicContact CG2-CG1 4.19Å
701P31.5Very low32.7Very low126 Ų126149 Ų14982%0.81879%0.788SS**  trans-83.5117.9174.332-31.6000111.4
702I36Very low32.8Very low152 Ų152149.7 Ų149.778%0.77980%0.795SS**  trans-93.8125.8175.3-61.1-178.8000110.2I700I700-I702 HydrophobicContact CG2-CG1 4.19Å
703R27.9Very low33.1Very low239 Ų239150.5 Ų150.590%0.90279%0.794SS**  trans-135.783.6-177.2-174.1-169.5-174.8-169.43.1110.8
704L32.5Very low33.1Very low139 Ų139150.2 Ų150.273%0.72879%0.792SS**  trans-148.6150.4172.8-80.9102.9000109
705M32.4Very low33.4Very low162 Ų162148.7 Ų148.780%0.79879%0.792SS**  cis-156.1169.4-21.7-121.2-172.7-169.200108.1
706H30.7Very low33.6Very low180 Ų180153.2 Ų153.283%0.83380%0.799SS**  trans-63.3135.2168.6-87.9-133000111
707F33.8Very low34Very low205 Ų205152.3 Ų152.390%0.89980%0.797SS**  trans-150135.6144.7-97.8-70000111.3
708S28.2Very low34.2Very low97 Ų97154.8 Ų154.868%0.67879%0.794SS**  trans-130.7128.8171.7176.50000108.3
709P40.6Very low35.1Very low127 Ų127154 Ų15483%0.82580%0.795SS**  trans-98.3110.1172.433.1-26.9000111.1
710F35.2Very low35.7Very low168 Ų168160.1 Ų160.174%0.73782%0.819SS**  trans-86.8139164.1-109.7-101.1000110.2
711R32.7Very low35.8Very low202 Ų202161.3 Ų161.376%0.76283%0.825SS**  trans37.7107.7153.3-67.8178.1175.1-178.5-3120I713R711-I713 HydrophobicContact CB-CG1 4.48Å
712I36.1Very low36Very low169 Ų169163.2 Ų163.287%0.86783%0.825SS**  trans-137.2107.4139.3-57.7178.2000104.1
713I38.7Very low36Very low133 Ų133163.8 Ų163.868%0.68283%0.828SS**  70.5103.953.1-58.1-175.9000113.5R711R711-I713 HydrophobicContact CB-CG1 4.48Å
714S32.8Very low36.5Very low115 Ų115159.4 Ų159.480%0.80482%0.824SS**  trans53.2105.1154-174.60000119.6
715A37.4Very low36.7Very low94 Ų94160.6 Ų160.678%0.77783%0.83SS**  178.3121106.800000112.2
716M38.8Very low37Very low193 Ų193160.5 Ų160.595%0.95183%0.832SS**  trans-169111.8148-107.4-63.1167.700107.5
717S39Very low37.5Very low99 Ų99159.1 Ų159.169%0.69283%0.832SS**  trans-141.6134.6-179.1-1720000108.9
718R39.3Very low37.7Very low229 Ų229155.6 Ų155.686%0.86483%0.826SS**  trans67.8114.8179-50.8172.9-175.7-169.9-1.6115.3
719L46.9Very low38.5Very low164 Ų164160.5 Ų160.586%0.85984%0.839SS**  -161.2136.8108.8-101.9163.3000109
720N44.8Very low38.3Very low233 Ų233163.5 Ų163.5100%1.24684%0.84SS**  trans58.70-166.6-63.1-3.1000114.5

Retrieved 720 of 720 residues in 361.6 ms (Link to these results)

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