A0A3Q0KSP0_SCHMA Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A3Q0KSP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 899 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
1M67.3Low80.1Confident199 Ų199129.2 Ų129.298%0.9858%0.577SS**  0-690-150.6171.6-167.800113.1R3 K4 I5M1-R3 PolarHBondContact O-N 3.13Å; M1-K4 PolarHBondContact O-N 2.85Å; M1-I5 HydrophobicContact CG-CD1 4.27Å
2I78.6Confident80.4Confident133 Ų133123.3 Ų123.368%0.68256%0.562SS**Hα-helixtrans-41.3-47.5-168.6-59.6169.8000115.5K4 I5 V6I2-K4 VanDerWaalsContact C-N 3.26Å; I2-K4 PolarHBondContact O-N 3.41Å; I2-I5 PolarHBondContact O-N 2.82Å; I2-I5 VanDerWaalsContact O-N 3.07Å; I2-V6 HydrophobicContact CG2-CG2 4.12Å; I2-V6 PolarHBondContact O-N 3.47Å
3R73.6Confident80.7Confident235 Ų235126.1 Ų126.189%0.88757%0.566SS**Hα-helixtrans-55.2-34.9179.9-68.8-176.1-177.9168.61.2113.8M1 K7M1-R3 PolarHBondContact O-N 3.13Å; R3-K7 PolarHBondContact O-N 3.46Å; R3-K7 VanDerWaalsContact O-N 3.08Å
4K74.7Confident80.9Confident170 Ų170117.1 Ų117.174%0.73953%0.525SS*.Hα-helixtrans-67.7-45.7175.6-72.2-169.9175.4-174.60111.4M1 I2 V6 K7 L8M1-K4 PolarHBondContact O-N 2.85Å; I2-K4 VanDerWaalsContact C-N 3.26Å; I2-K4 PolarHBondContact O-N 3.41Å; K4-V6 VanDerWaalsContact C-N 3.32Å; K4-V6 PolarHBondContact O-N 3.38Å; K4-K7 PolarHBondContact O-N 3.09Å; K4-K7 VanDerWaalsContact O-N 3.16Å; K4-L8 PolarHBondContact O-N 2.87Å
5I81.5Confident81Confident73 Ų73112.7 Ų112.737%0.37450%0.503SS..Hα-helixtrans-60.9-41.3178.1-58.4172.2000110.7M1 I2 L8 R9M1-I5 HydrophobicContact CG-CD1 4.27Å; I2-I5 PolarHBondContact O-N 2.82Å; I2-I5 VanDerWaalsContact O-N 3.07Å; I5-L8 PolarHBondContact O-N 2.79Å; I5-R9 WeakPolarHBondContact O-CG 3.4Å; I5-R9 PolarHBondContact O-N 3.06Å
6V84.4Confident81Confident66 Ų66112.6 Ų112.640%0.450%0.504SS..Hα-helixtrans-67.5-36.6176.2175.90000112.2I2 K4 R10I2-V6 HydrophobicContact CG2-CG2 4.12Å; I2-V6 PolarHBondContact O-N 3.47Å; K4-V6 VanDerWaalsContact C-N 3.32Å; K4-V6 PolarHBondContact O-N 3.38Å; V6-R10 WeakPolarHBondContact O-CB 3.28Å; V6-R10 VanDerWaalsContact O-CG 3.3Å; V6-R10 WeakPolarHBondContact O-CG 3.38Å; V6-R10 PolarHBondContact O-N 3.34Å; V6-R10 VanDerWaalsContact O-N 3.15Å
7K82.9Confident81Confident83 Ų83110.9 Ų110.936%0.36149%0.493SS..Hα-helixtrans-65.1-47.8173.5-166.2176.5-174.1179.10111R3 K4 R10 V11 E126R3-K7 PolarHBondContact O-N 3.46Å; R3-K7 VanDerWaalsContact O-N 3.08Å; K4-K7 PolarHBondContact O-N 3.09Å; K4-K7 VanDerWaalsContact O-N 3.16Å; K7-R10 PolarHBondContact O-N 3.15Å; K7-V11 WeakPolarHBondContact O-CG2 3.22Å; K7-V11 PolarHBondContact O-N 3.09Å; K7-E126 IonicContact NZ-OE1 2.7Å; K7-E126 PolarHBondContact NZ-OE1 3.14Å
8L81.9Confident80.8Confident107 Ų107104.8 Ų104.856%0.5647%0.466SS*.Hα-helixtrans-56.6-52.9176.4-78.6162.2000112.2K4 I5 R10 V11 S12K4-L8 PolarHBondContact O-N 2.87Å; I5-L8 PolarHBondContact O-N 2.79Å; L8-R10 PolarHBondContact O-N 3.16Å; L8-V11 WeakPolarHBondContact O-CA 3.37Å; L8-V11 WeakPolarHBondContact O-CB 3.49Å; L8-V11 PolarHBondContact O-N 2.62Å; L8-S12 PolarHBondContact O-N 3.06Å; L8-S12 PolarHBondContact O-OG 3.31Å
9R85.1Confident80.6Confident180 Ų180100.1 Ų100.168%0.67945%0.446SS*.Hα-helixtrans-61.2-27.4178.1-73.8-177.4174.5-177.4-2113.7I5 R13I5-R9 WeakPolarHBondContact O-CG 3.4Å; I5-R9 PolarHBondContact O-N 3.06Å; R9-R13 WeakPolarHBondContact O-CB 3.31Å; R9-R13 WeakPolarHBondContact O-CG 3.44Å
10R86.6Confident80.5Confident166 Ų16699.7 Ų99.763%0.62646%0.455SS*.Hα-helixtrans-75.2-35.1172.1-76.1176.2175.8-169.5-1.5112.2V6 K7 L8 A14 L129V6-R10 WeakPolarHBondContact O-CB 3.28Å; V6-R10 VanDerWaalsContact O-CG 3.3Å; V6-R10 WeakPolarHBondContact O-CG 3.38Å; V6-R10 PolarHBondContact O-N 3.34Å; V6-R10 VanDerWaalsContact O-N 3.15Å; K7-R10 PolarHBondContact O-N 3.15Å; L8-R10 PolarHBondContact O-N 3.16Å; R10-A14 WeakPolarHBondContact O-CB 3.43Å; R10-A14 PolarHBondContact O-N 2.94Å; R10-A14 VanDerWaalsContact O-N 3.14Å; R10-L129 HydrophobicContact CB-CD2 4.31Å
11V84.2Confident80Confident9 Ų999 Ų996%0.05546%0.455CS..Hα-helixtrans-71.5-46.2178.2164.70000112.2K7 L8 R13 A14 R15 I128 L129K7-V11 WeakPolarHBondContact O-CG2 3.22Å; K7-V11 PolarHBondContact O-N 3.09Å; L8-V11 WeakPolarHBondContact O-CA 3.37Å; L8-V11 WeakPolarHBondContact O-CB 3.49Å; L8-V11 PolarHBondContact O-N 2.62Å; V11-R13 PolarHBondContact O-N 3.1Å; V11-A14 WeakPolarHBondContact O-CA 3.41Å; V11-A14 WeakPolarHBondContact O-CB 3.19Å; V11-A14 PolarHBondContact O-N 2.83Å; V11-R15 PolarHBondContact O-N 3.38Å; V11-I128 HydrophobicContact CB-CG2 4.4Å; V11-I128 HydrophobicContact CG1-CG2 3.88Å; V11-I128 HydrophobicContact CG2-CG2 4.04Å; V11-L129 HydrophobicContact CG2-CD1 4.06Å; V11-L129 HydrophobicContact CG2-CD2 4.33Å; V11-L129 HydrophobicContact CG2-CG 4.05Å
12S83.5Confident79.9Confident58 Ų5890 Ų9041%0.40641%0.411SS..Hα-helixtrans-59.3-50.6176.7-52.40000111.1L8 A14 R15 E16L8-S12 PolarHBondContact O-N 3.06Å; L8-S12 PolarHBondContact O-OG 3.31Å; S12-A14 PolarHBondContact O-N 3.35Å; S12-A14 VanDerWaalsContact O-N 3.07Å; S12-R15 PolarHBondContact O-N 2.99Å; S12-E16 WeakPolarHBondContact O-CG 3.26Å; S12-E16 PolarHBondContact O-N 3.23Å
13R85.4Confident79Confident160 Ų16086.9 Ų86.960%0.60440%0.398SS*.Hα-helixtrans-59.8-20.8173.8-71.4-178.4176.8-171.3-1.2114.2R9 V11 E16 R17R9-R13 WeakPolarHBondContact O-CB 3.31Å; R9-R13 WeakPolarHBondContact O-CG 3.44Å; V11-R13 PolarHBondContact O-N 3.1Å; R13-E16 WeakPolarHBondContact CA-OE2 3.3Å; R13-R17 WeakPolarHBondContact O-CG 3.22Å; R13-R17 PolarHBondContact O-NE 3.15Å; R13-R17 PolarHBondContact O-NH1 2.92Å; R13-R17 VanDerWaalsContact O-NH1 3.11Å; R13-R17 PolarHBondContact O-NH2 2.99Å
14A83.1Confident77.8Confident0 Ų082.3 Ų82.30%039%0.391CS..Hα-helixtrans-79.1-47.3172.800000110.7R10 V11 S12 E16 R17 I18 I128 L129 D132R10-A14 WeakPolarHBondContact O-CB 3.43Å; R10-A14 PolarHBondContact O-N 2.94Å; R10-A14 VanDerWaalsContact O-N 3.14Å; V11-A14 WeakPolarHBondContact O-CA 3.41Å; V11-A14 WeakPolarHBondContact O-CB 3.19Å; V11-A14 PolarHBondContact O-N 2.83Å; S12-A14 PolarHBondContact O-N 3.35Å; S12-A14 VanDerWaalsContact O-N 3.07Å; A14-E16 PolarHBondContact O-N 3.5Å; A14-R17 PolarHBondContact O-N 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.16Å; A14-I18 WeakPolarHBondContact O-CG1 3.39Å; A14-I18 PolarHBondContact O-N 3.36Å; A14-I128 HydrophobicContact CB-CG1 4.17Å; A14-L129 HydrophobicContact CB-CD2 3.93Å; A14-D132 HydrophobicContact CB-CB 3.6Å
15R82.1Confident76.7Confident51 Ų5178.7 Ų78.719%0.19239%0.388CS..Hα-helixtrans-56.6-50.4173.9-67.9-172.5172.5176.6-3.2111.9V11 S12 R17 I18 M19 V120 Y121 L123 I128V11-R15 PolarHBondContact O-N 3.38Å; S12-R15 PolarHBondContact O-N 2.99Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.75Å; R15-I18 PolarHBondContact O-N 2.6Å; R15-I18 VanDerWaalsContact O-N 3.11Å; R15-M19 WeakPolarHBondContact O-CG 3.38Å; R15-M19 PolarHBondContact O-N 3.03Å; R15-V120 HydrophobicContact CB-CG1 4.08Å; R15-V120 HydrophobicContact CG-CG1 4.03Å; R15-V120 PolarHBondContact NE-O 3.33Å; R15-V120 VanDerWaalsContact NE-O 3.15Å; R15-Y121 HydrophobicContact CB-CE2 4.25Å; R15-Y121 VanDerWaalsContact CZ-O 3.22Å; R15-Y121 PolarHBondContact NH1-O 3.14Å; R15-Y121 PolarHBondContact NH2-O 3.09Å; R15-L123 PolarHBondContact NH2-O 3.07Å; R15-I128 HydrophobicContact CG-CD1 3.73Å; R15-I128 HydrophobicContact CG-CG1 3.66Å
16E81.3Confident74.9Confident111 Ų11175.7 Ų75.752%0.51937%0.373SS..Hα-helixtrans-51.1-49.6177.3-71155.5-155.900112S12 R13 A14 S20S12-E16 WeakPolarHBondContact O-CG 3.26Å; S12-E16 PolarHBondContact O-N 3.23Å; R13-E16 WeakPolarHBondContact CA-OE2 3.3Å; A14-E16 PolarHBondContact O-N 3.5Å; E16-S20 WeakPolarHBondContact O-CB 3.38Å; E16-S20 PolarHBondContact O-N 3.18Å; E16-S20 PolarHBondContact O-OG 2.83Å
17R80.5Confident72.9Confident84 Ų8476.1 Ų76.132%0.31738%0.376SS..Hα-helixtrans-70.6-31179-77.7-171.4-59-88.7-10.2114.5R13 A14 R15 S20 L21 D132 K136R13-R17 WeakPolarHBondContact O-CG 3.22Å; R13-R17 PolarHBondContact O-NE 3.15Å; R13-R17 PolarHBondContact O-NH1 2.92Å; R13-R17 VanDerWaalsContact O-NH1 3.11Å; R13-R17 PolarHBondContact O-NH2 2.99Å; A14-R17 PolarHBondContact O-N 3.43Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.75Å; R17-S20 WeakPolarHBondContact CA-OG 3.35Å; R17-S20 PolarHBondContact O-OG 3.2Å; R17-L21 WeakPolarHBondContact O-CD1 3.34Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.48Å; R17-L21 PolarHBondContact O-N 2.85Å; R17-D132 IonicContact CZ-OD1 2.79Å; R17-D132 IonicContact NE-OD1 2.82Å; R17-D132 PolarHBondContact NE-OD1 3.05Å; R17-D132 VanDerWaalsContact NH2-CG 3.34Å; R17-D132 IonicContact NH2-OD1 3.15Å; R17-D132 PolarHBondContact NH2-OD1 3.13Å; R17-D132 IonicContact NH2-OD2 3.29Å; R17-D132 PolarHBondContact NH2-OD2 3.27Å; R17-K136 VanDerWaalsContact CZ-NZ 3.34Å
18I77Confident71Confident1 Ų172.8 Ų72.81%0.00536%0.362CS..Hα-helixtrans-72.4-42.2177.7-66.4161.4000109.2A14 R15 L21 V120 I128 L131 D132 L135 W245A14-I18 WeakPolarHBondContact O-CD1 3.16Å; A14-I18 WeakPolarHBondContact O-CG1 3.39Å; A14-I18 PolarHBondContact O-N 3.36Å; R15-I18 PolarHBondContact O-N 2.6Å; R15-I18 VanDerWaalsContact O-N 3.11Å; I18-L21 PolarHBondContact O-N 3.28Å; I18-V120 HydrophobicContact CB-CG1 4.42Å; I18-V120 HydrophobicContact CG2-CG1 4.29Å; I18-V120 HydrophobicContact CG2-CG2 3.62Å; I18-I128 HydrophobicContact CD1-CD1 3.35Å; I18-I128 HydrophobicContact CD1-CG1 3.89Å; I18-L131 HydrophobicContact CD1-CB 4.05Å; I18-L131 HydrophobicContact CD1-CD2 4.02Å; I18-L131 HydrophobicContact CD1-CG 3.82Å; I18-L131 HydrophobicContact CG1-CG 4.27Å; I18-L131 HydrophobicContact CG2-CD2 3.93Å; I18-L131 HydrophobicContact CG2-CG 4.29Å; I18-D132 HydrophobicContact CD1-CB 3.92Å; I18-D132 HydrophobicContact CG1-CB 4.27Å; I18-L135 HydrophobicContact CB-CD1 4.43Å; I18-L135 HydrophobicContact CG1-CD1 4.04Å; I18-L135 HydrophobicContact CG2-CD1 3.97Å; I18-W245 HydrophobicContact CG2-CH2 4.26Å; I18-W245 HydrophobicContact CG2-CZ2 3.61Å
19M78.6Confident69.2Low16 Ų1672.7 Ų72.78%0.07936%0.359CS..Hα-helixtrans-65.6-38.9173.9-65.7-48.6-58.100112.1R15 L21 V22 F113 I116 N117 V120 Y121R15-M19 WeakPolarHBondContact O-CG 3.38Å; R15-M19 PolarHBondContact O-N 3.03Å; M19-L21 PolarHBondContact O-N 3.26Å; M19-V22 HydrophobicContact CE-CG2 4.47Å; M19-V22 WeakPolarHBondContact O-CB 3.43Å; M19-V22 PolarHBondContact O-N 3.4Å; M19-F113 HydrophobicContact CE-CD1 4.3Å; M19-F113 HydrophobicContact CE-CD2 3.81Å; M19-F113 HydrophobicContact CE-CE1 4.05Å; M19-F113 HydrophobicContact CE-CE2 3.53Å; M19-F113 HydrophobicContact CE-CG 4.18Å; M19-F113 HydrophobicContact CE-CZ 3.65Å; M19-I116 HydrophobicContact SD-CG2 4.33Å; M19-N117 HydrophobicContact CE-CB 3.66Å; M19-N117 HydrophobicContact SD-CB 4.35Å; M19-V120 HydrophobicContact CG-CG1 4.05Å; M19-V120 HydrophobicContact SD-CB 3.71Å; M19-V120 HydrophobicContact SD-CG1 3.78Å; M19-V120 HydrophobicContact SD-CG2 3.81Å; M19-Y121 HydrophobicContact CG-CE2 4.19Å
20S77.4Confident67.1Low91 Ų9165.9 Ų65.964%0.63634%0.341SS*.THydrogen-bonded Turntrans-70.62.8175.379.40000114.7E16 R17E16-S20 WeakPolarHBondContact O-CB 3.38Å; E16-S20 PolarHBondContact O-N 3.18Å; E16-S20 PolarHBondContact O-OG 2.83Å; R17-S20 WeakPolarHBondContact CA-OG 3.35Å; R17-S20 PolarHBondContact O-OG 3.2Å
21L69.6Low64.9Low85 Ų8559.6 Ų59.645%0.44532%0.319SS..THydrogen-bonded Turntrans-107.3-1.6169.9-70.1169.9000112.2R17 I18 M19 L135R17-L21 WeakPolarHBondContact O-CD1 3.34Å; R17-L21 VanDerWaalsContact O-CG 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.48Å; R17-L21 PolarHBondContact O-N 2.85Å; I18-L21 PolarHBondContact O-N 3.28Å; M19-L21 PolarHBondContact O-N 3.26Å; L21-L135 HydrophobicContact CD1-CB 3.76Å; L21-L135 HydrophobicContact CD1-CD1 4.23Å; L21-L135 HydrophobicContact CD1-CG 4.46Å
22V66.5Low62.6Low10 Ų1061.9 Ų61.96%0.06133%0.333CS..  trans-93.2122.8171.4-173.60000107.3M19 F113 I116 W245M19-V22 HydrophobicContact CE-CG2 4.47Å; M19-V22 WeakPolarHBondContact O-CB 3.43Å; M19-V22 PolarHBondContact O-N 3.4Å; V22-F113 HydrophobicContact CB-CD2 4.32Å; V22-F113 HydrophobicContact CG1-CB 4.4Å; V22-F113 HydrophobicContact CG1-CD2 4.27Å; V22-I116 HydrophobicContact CG1-CD1 4.13Å; V22-I116 HydrophobicContact CG2-CB 4.35Å; V22-I116 HydrophobicContact CG2-CD1 4.34Å; V22-I116 HydrophobicContact CG2-CG2 3.62Å; V22-W245 HydrophobicContact CG2-CZ2 3.93Å
23T58.8Low60.2Low69 Ų6963.7 Ų63.742%0.42334%0.338SS..  trans-99.9138.4176.546.90000110.8S25 V26T23-S25 PolarHBondContact O-N 3.03Å; T23-S25 VanDerWaalsContact O-N 3.07Å; T23-S25 PolarHBondContact OG1-OG 3.19Å; T23-V26 PolarHBondContact O-N 3.37Å
24D49.1Very low57.7Low138 Ų13857.6 Ų57.674%0.73832%0.317SS*.THydrogen-bonded Turntrans-65.1-13.7-177.7-49.1-41.3000113.1V26D24-V26 PolarHBondContact O-N 2.83Å
25S50.4Low55.2Low95 Ų9561.9 Ų61.966%0.66434%0.34SS*.THydrogen-bonded Turntrans-71.2-10.7-179.854.90000114.9T23 T27T23-S25 PolarHBondContact O-N 3.03Å; T23-S25 VanDerWaalsContact O-N 3.07Å; T23-S25 PolarHBondContact OG1-OG 3.19Å; S25-T27 PolarHBondContact O-N 3.21Å
26V45.1Very low52.7Low10 Ų1061.4 Ų61.46%0.06134%0.341CS..  trans-95.990-170.2-171.30000111.1T23 D24 L112 K243T23-V26 PolarHBondContact O-N 3.37Å; D24-V26 PolarHBondContact O-N 2.83Å; V26-L112 HydrophobicContact CB-CD2 3.64Å; V26-L112 HydrophobicContact CG1-CD2 3.45Å; V26-L112 VanDerWaalsContact CG1-CD2 3.45Å; V26-L112 WeakPolarHBondContact O-CB 3.47Å; V26-L112 WeakPolarHBondContact O-CD2 3.47Å; V26-K243 HydrophobicContact CG1-CB 4.29Å; V26-K243 HydrophobicContact CG1-CD 3.63Å; V26-K243 HydrophobicContact CG1-CG 3.61Å
27T42.1Very low50.2Low75 Ų7560.6 Ų60.646%0.4635%0.348SS..  trans-72.6145.1173.153.90000112.3S25 K243S25-T27 PolarHBondContact O-N 3.21Å; T27-K243 PolarHBondContact O-NZ 2.68Å
28V43.2Very low47.8Very low13 Ų1360.8 Ų60.88%0.07936%0.358CS..  trans-127.6131.3170.6170.80000108.5A30 L112 L239 K243V28-A30 PolarHBondContact O-N 3.03Å; V28-L112 HydrophobicContact CG2-CD1 3.84Å; V28-L112 HydrophobicContact CG2-CD2 4.25Å; V28-L239 HydrophobicContact CG1-CD2 4.28Å; V28-K243 HydrophobicContact CG2-CD 4.16Å
29Q42.8Very low45.7Very low105 Ų10564.5 Ų64.549%0.49138%0.381SS..  trans-68.998.9174.6-70.3-175.9-49.500109.8H311Q29-H311 PolarHBondContact NE2-NE2 3.1Å; Q29-H311 PolarHBondContact OE1-NE2 2.77Å; Q29-H311 VanDerWaalsContact OE1-NE2 3.16Å
30A42Very low43.4Very low36 Ų3669.1 Ų69.130%0.29841%0.41SS..  trans-70.1124.3162.700000108.4V28 V32V28-A30 PolarHBondContact O-N 3.03Å; A30-V32 PolarHBondContact O-N 3.01Å
31M39.4Very low41.1Very low35 Ų3567.6 Ų67.617%0.17241%0.408CS..EExtended strand (participates in β ladder)trans-93.8104.4179.3-74.4-168.2168.300110L33 C234 L309M31-L33 PolarHBondContact O-N 2.77Å; M31-C234 HydrophobicContact CB-CB 4.31Å; M31-C234 PolarHBondContact N-O 3.17Å; M31-C234 VanDerWaalsContact N-O 3.13Å; M31-C234 PolarHBondContact O-N 3.38Å; M31-L309 HydrophobicContact CE-CB 4.14Å; M31-L309 VanDerWaalsContact CE-O 3.24Å; M31-L309 WeakPolarHBondContact CE-O 3.41Å; M31-L309 HydrophobicContact SD-CB 3.83Å; M31-L309 HydrophobicContact SD-CD1 4.19Å
32V36.8Very low39.3Very low57 Ų5769.1 Ų69.135%0.34542%0.416SS..EExtended strand (participates in β ladder)trans-82.5107.6168-170.70000107.9A30 D34 F106A30-V32 PolarHBondContact O-N 3.01Å; V32-D34 HydrophobicContact CG1-CB 3.83Å; V32-D34 WeakPolarHBondContact CG1-OD2 3.03Å; V32-D34 PolarHBondContact O-N 3.43Å; V32-F106 HydrophobicContact CG1-CE2 4.46Å
33L32.9Very low37.5Very low96 Ų9672.6 Ų72.650%0.50345%0.446SS..EExtended strand (participates in β ladder)trans-82.994.8170.7-111.9168.4000107.5M31 L193 I232M31-L33 PolarHBondContact O-N 2.77Å; L33-L193 HydrophobicContact CD1-CD1 3.62Å; L33-I232 PolarHBondContact N-O 3.42Å; L33-I232 PolarHBondContact O-N 3.08Å
34D32.6Very low36.2Very low31 Ų3174.6 Ų74.617%0.16646%0.458CS..  trans-104.9160-156.3-139.4-17.2000115.8V32 L36 M105 F106 S231V32-D34 HydrophobicContact CG1-CB 3.83Å; V32-D34 WeakPolarHBondContact CG1-OD2 3.03Å; V32-D34 PolarHBondContact O-N 3.43Å; D34-L36 VanDerWaalsContact OD1-CD1 3.28Å; D34-L36 WeakPolarHBondContact OD1-CD1 3.5Å; D34-L36 PolarHBondContact OD1-N 3.03Å; D34-L36 VanDerWaalsContact OD1-N 3.09Å; D34-M105 HydrophobicContact CB-CE 3.61Å; D34-M105 WeakPolarHBondContact OD2-CE 3.13Å; D34-F106 WeakPolarHBondContact OD2-CE2 3.38Å; D34-S231 WeakPolarHBondContact OD1-CB 3.5Å; D34-S231 PolarHBondContact OD1-OG 2.93Å
35N31.2Very low35.5Very low90 Ų9074.5 Ų74.548%0.48146%0.457SS..  trans-150.233.4169.8-124.3-80.6000110S37 K229N35-S37 PolarHBondContact O-N 3.07Å; N35-S37 VanDerWaalsContact O-N 3.14Å; N35-K229 HydrophobicContact CB-CB 4.19Å; N35-K229 HydrophobicContact CB-CD 3.96Å; N35-K229 HydrophobicContact CB-CG 4.19Å; N35-K229 WeakPolarHBondContact OD1-CD 3.33Å; N35-K229 WeakPolarHBondContact OD1-CE 3.27Å; N35-K229 PolarHBondContact OD1-NZ 3.13Å
36L29.6Very low34.5Very low42 Ų4276 Ų7622%0.2245%0.453CS..  trans-61.6108.1-176.3-13178.9000111.6D34 V39 V40 F106D34-L36 VanDerWaalsContact OD1-CD1 3.28Å; D34-L36 WeakPolarHBondContact OD1-CD1 3.5Å; D34-L36 PolarHBondContact OD1-N 3.03Å; D34-L36 VanDerWaalsContact OD1-N 3.09Å; L36-V39 HydrophobicContact CD1-CB 3.92Å; L36-V39 HydrophobicContact CD1-CG2 3.58Å; L36-V39 HydrophobicContact CD2-CB 4.31Å; L36-V39 HydrophobicContact CG-CB 4.01Å; L36-V39 HydrophobicContact CG-CG2 4.11Å; L36-V40 HydrophobicContact CD2-CG2 4.26Å; L36-F106 HydrophobicContact CD2-CZ 3.9Å
37S27.6Very low33.8Very low94 Ų9479.5 Ų79.566%0.65749%0.492SS*.SBendtrans-136.911.5161.170.50000112.7N35N35-S37 PolarHBondContact O-N 3.07Å; N35-S37 VanDerWaalsContact O-N 3.14Å
38T31.6Very low33.3Very low87 Ų8786.1 Ų86.153%0.53451%0.51SS..SBendtrans-141.5-15.1-168.7-1.90000115
39V32.2Very low33Very low79 Ų7990.5 Ų90.548%0.47954%0.539SS..SBendtrans-76.3-36.7-179.4178.40000111.6L36 G41L36-V39 HydrophobicContact CD1-CB 3.92Å; L36-V39 HydrophobicContact CD1-CG2 3.58Å; L36-V39 HydrophobicContact CD2-CB 4.31Å; L36-V39 HydrophobicContact CG-CB 4.01Å; L36-V39 HydrophobicContact CG-CG2 4.11Å; V39-G41 VanDerWaalsContact C-N 3.35Å; V39-G41 PolarHBondContact O-N 3.06Å
40V31.2Very low32.5Very low114 Ų11490 Ų9069%0.69154%0.54SS*.THydrogen-bonded Turntrans-67.1-34.2-179.3-177.20000112.1L36 I42L36-V40 HydrophobicContact CD2-CG2 4.26Å; V40-I42 VanDerWaalsContact C-N 3.34Å; V40-I42 PolarHBondContact O-N 3.25Å
41G28.2Very low32.5Very low59 Ų5991.2 Ų91.261%0.60855%0.546SS*.THydrogen-bonded Turntrans-84.16.5-175.100000116.4V39V39-G41 VanDerWaalsContact C-N 3.35Å; V39-G41 PolarHBondContact O-N 3.06Å
42I31.1Very low32.6Very low117 Ų11794.1 Ų94.160%0.657%0.565SS**THydrogen-bonded Turntrans-120.7-23179.3-60.3176.8000111.5V40 T44 D45V40-I42 VanDerWaalsContact C-N 3.34Å; V40-I42 PolarHBondContact O-N 3.25Å; I42-T44 PolarHBondContact O-N 3.15Å; I42-T44 VanDerWaalsContact O-N 3.13Å; I42-D45 PolarHBondContact O-N 3.4Å
43A30.4Very low32.8Very low83 Ų8394.4 Ų94.469%0.68656%0.563SS**THydrogen-bonded Turntrans-68.2-7.8-179.600000114.6
44T31.2Very low33.3Very low111 Ų11194.5 Ų94.568%0.68156%0.559SS**THydrogen-bonded Turntrans-95.2-22.6179.851.70000114.4I42I42-T44 PolarHBondContact O-N 3.15Å; I42-T44 VanDerWaalsContact O-N 3.13Å
45D33Very low33.8Very low136 Ų13695.3 Ų95.373%0.72757%0.57SS**THydrogen-bonded Turntrans-102.3-11.4-164.6-83.226000114.5I42I42-D45 PolarHBondContact O-N 3.4Å
46Q29.5Very low34.5Very low125 Ų12592 Ų9258%0.58455%0.552SS**SBendtrans-134.3116.8172.8-64.6-167.1300110.3Y48Q46-Y48 VanDerWaalsContact C-N 3.26Å; Q46-Y48 PolarHBondContact O-N 2.95Å
47G31.3Very low35.2Very low84 Ų8491.1 Ų91.187%0.86655%0.547SS*.  trans-71.265.3-171.200000115.4P49G47-P49 WeakPolarHBondContact O-CD 3.4Å
48Y32.6Very low36.1Very low214 Ų21492 Ų9284%0.83954%0.54SS*.  trans-101.898.8164.2-84.2-76.9000109.6Q46Q46-Y48 VanDerWaalsContact C-N 3.26Å; Q46-Y48 PolarHBondContact O-N 2.95Å
49P35.3Very low36.8Very low106 Ų10689.3 Ų89.369%0.68852%0.521SS*.  trans-77.2172.5178.233-36.2000112.9G47G47-P49 WeakPolarHBondContact O-CD 3.4Å
50D32.7Very low37.6Very low95 Ų9586 Ų8651%0.50850%0.501SS..SBendtrans78.882.9167.7-59.60.4000119.4K54D50-K54 HydrophobicContact CB-CD 3.92Å; D50-K54 VanDerWaalsContact CG-NZ 3.34Å; D50-K54 IonicContact OD2-NZ 2.62Å; D50-K54 PolarHBondContact OD2-NZ 3.23Å
51S43.1Very low38.2Very low61 Ų6185.8 Ų85.843%0.42749%0.49SS..  trans56131.5147.379.80000121E53 K54S51-E53 PolarHBondContact O-N 3.45Å; S51-E53 VanDerWaalsContact O-N 3.15Å; S51-K54 PolarHBondContact O-N 2.96Å; S51-K54 VanDerWaalsContact O-N 3.09Å
52V40.3Very low38.9Very low96 Ų9685.4 Ų85.458%0.58248%0.477SS*.Hα-helixtrans-55.7-29.9170.1178.90000112A55 I56V52-A55 PolarHBondContact O-N 3.19Å; V52-I56 HydrophobicContact CG1-CD1 3.85Å; V52-I56 HydrophobicContact CG1-CG1 4.43Å; V52-I56 PolarHBondContact O-N 2.94Å
53E41Very low39.4Very low62 Ų6281.8 Ų81.829%0.2946%0.459SS..Hα-helixtrans-55.3-47.6173.3-176.2-153.196.400112.7S51 A55 I56 L57S51-E53 PolarHBondContact O-N 3.45Å; S51-E53 VanDerWaalsContact O-N 3.15Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 2.62Å; E53-I56 PolarHBondContact O-N 3.07Å; E53-L57 HydrophobicContact CG-CD1 4.25Å; E53-L57 VanDerWaalsContact O-CB 3.31Å; E53-L57 WeakPolarHBondContact O-CB 3.37Å; E53-L57 PolarHBondContact O-N 3.39Å
54K43.4Very low39.9Very low99 Ų9978.5 Ų78.543%0.4343%0.43SS..Hα-helixtrans-60.2-37.6178.5-71.2-172.7-171.4178.90111.9D50 S51 F58D50-K54 HydrophobicContact CB-CD 3.92Å; D50-K54 VanDerWaalsContact CG-NZ 3.34Å; D50-K54 IonicContact OD2-NZ 2.62Å; D50-K54 PolarHBondContact OD2-NZ 3.23Å; S51-K54 PolarHBondContact O-N 2.96Å; S51-K54 VanDerWaalsContact O-N 3.09Å; K54-F58 PolarHBondContact O-N 3.03Å; K54-F58 VanDerWaalsContact O-N 3.1Å
55A43.4Very low40.2Very low48 Ų4875.2 Ų75.240%0.39741%0.412SS..Hα-helixtrans-68-45176.100000112.1V52 E53 F58 F59V52-A55 PolarHBondContact O-N 3.19Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 2.62Å; A55-F58 WeakPolarHBondContact O-CB 3.47Å; A55-F58 PolarHBondContact O-N 3.49Å; A55-F59 WeakPolarHBondContact O-CD2 3.35Å; A55-F59 PolarHBondContact O-N 2.95Å
56I45.9Very low40.1Very low20 Ų2074.3 Ų74.310%0.10340%0.401CS..Hα-helixtrans-68.4-37.3178.3-65.7168.8000111.2V52 E53 F58 F59 L60 L110 L203 I235V52-I56 HydrophobicContact CG1-CD1 3.85Å; V52-I56 HydrophobicContact CG1-CG1 4.43Å; V52-I56 PolarHBondContact O-N 2.94Å; E53-I56 PolarHBondContact O-N 3.07Å; I56-F58 VanDerWaalsContact C-N 3.3Å; I56-F58 PolarHBondContact O-N 3.34Å; I56-F59 PolarHBondContact O-N 3.3Å; I56-L60 HydrophobicContact CG2-CD1 4.02Å; I56-L60 HydrophobicContact CG2-CG 4.39Å; I56-L60 WeakPolarHBondContact O-CB 3.11Å; I56-L60 WeakPolarHBondContact O-CG 3.4Å; I56-L60 PolarHBondContact O-N 3.31Å; I56-L110 HydrophobicContact CB-CD2 4.06Å; I56-L110 HydrophobicContact CD1-CD1 3.84Å; I56-L110 HydrophobicContact CD1-CD2 3.99Å; I56-L110 HydrophobicContact CG2-CD2 3.59Å; I56-L203 HydrophobicContact CG2-CD1 3.97Å; I56-I235 HydrophobicContact CG2-CD1 4.28Å
57L44.8Very low40.1Very low23 Ų2376.3 Ų76.312%0.1241%0.41CS..Hα-helixtrans-55.8-41.7169.7-90.5171.5000112.4E53 K61 D114 A118E53-L57 HydrophobicContact CG-CD1 4.25Å; E53-L57 VanDerWaalsContact O-CB 3.31Å; E53-L57 WeakPolarHBondContact O-CB 3.37Å; E53-L57 PolarHBondContact O-N 3.39Å; L57-K61 VanDerWaalsContact O-CG 3.3Å; L57-K61 WeakPolarHBondContact O-CG 3.44Å; L57-K61 PolarHBondContact O-N 3.37Å; L57-D114 HydrophobicContact CD1-CB 4.1Å; L57-D114 HydrophobicContact CD2-CB 3.91Å; L57-D114 VanDerWaalsContact CD2-O 3.26Å; L57-D114 WeakPolarHBondContact CD2-O 3.49Å; L57-D114 HydrophobicContact CG-CB 4.17Å; L57-A118 HydrophobicContact CD2-CB 3.93Å
58F46.5Very low39.9Very low113 Ų11381.4 Ų81.450%0.49641%0.408SS..Hα-helixtrans-65.6-49.3175.3178.4-96.8000111.5K54 A55 I56 L60 K61 C62K54-F58 PolarHBondContact O-N 3.03Å; K54-F58 VanDerWaalsContact O-N 3.1Å; A55-F58 WeakPolarHBondContact O-CB 3.47Å; A55-F58 PolarHBondContact O-N 3.49Å; I56-F58 VanDerWaalsContact C-N 3.3Å; I56-F58 PolarHBondContact O-N 3.34Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.38Å; F58-K61 WeakPolarHBondContact O-CB 3.48Å; F58-K61 PolarHBondContact O-N 3.07Å; F58-K61 VanDerWaalsContact O-N 3.17Å; F58-C62 PolarHBondContact O-N 3.17Å; F58-C62 PolarHBondContact O-SG 3.04Å
59F46Very low39.7Very low30 Ų3076.2 Ų76.213%0.13240%0.403CS..Hα-helixtrans-60.9-38.7176.9-77-65.5000113.1A55 I56 C62 L63 L203 C205A55-F59 WeakPolarHBondContact O-CD2 3.35Å; A55-F59 PolarHBondContact O-N 2.95Å; I56-F59 PolarHBondContact O-N 3.3Å; F59-C62 PolarHBondContact O-N 3.3Å; F59-L63 PolarHBondContact O-N 2.91Å; F59-L203 HydrophobicContact CB-CD1 4.11Å; F59-L203 HydrophobicContact CB-CD2 3.78Å; F59-L203 HydrophobicContact CG-CD2 4.39Å; F59-C205 HydrophobicContact CE2-CB 4.19Å; F59-C205 HydrophobicContact CZ-CB 4.26Å
60L48.2Very low39.2Very low11 Ų1178.1 Ų78.16%0.05841%0.405CS..Hα-helixtrans-62-46.8172.9-80166.8000111.5I56 F58 C62 L63 L64 I115 A118I56-L60 HydrophobicContact CG2-CD1 4.02Å; I56-L60 HydrophobicContact CG2-CG 4.39Å; I56-L60 WeakPolarHBondContact O-CB 3.11Å; I56-L60 WeakPolarHBondContact O-CG 3.4Å; I56-L60 PolarHBondContact O-N 3.31Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.38Å; L60-C62 VanDerWaalsContact C-N 3.31Å; L60-C62 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 3.31Å; L60-L64 HydrophobicContact CB-CD1 4.49Å; L60-L64 WeakPolarHBondContact O-CB 3.22Å; L60-L64 WeakPolarHBondContact O-CD1 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.39Å; L60-L64 VanDerWaalsContact O-N 3.08Å; L60-I115 HydrophobicContact CD1-CB 4.46Å; L60-I115 HydrophobicContact CD1-CG1 4.17Å; L60-I115 HydrophobicContact CD1-CG2 4.32Å; L60-A118 HydrophobicContact CB-CB 4.11Å
61K44.1Very low38.8Very low108 Ų10879.8 Ų79.847%0.4741%0.414SS..Hα-helixtrans-55.8-45.9175-75166.5-177.31710111.4L57 F58 L64 S65 A118L57-K61 VanDerWaalsContact O-CG 3.3Å; L57-K61 WeakPolarHBondContact O-CG 3.44Å; L57-K61 PolarHBondContact O-N 3.37Å; F58-K61 WeakPolarHBondContact O-CB 3.48Å; F58-K61 PolarHBondContact O-N 3.07Å; F58-K61 VanDerWaalsContact O-N 3.17Å; K61-L64 PolarHBondContact O-N 2.97Å; K61-S65 PolarHBondContact O-N 3.21Å; K61-S65 VanDerWaalsContact O-N 3.12Å; K61-S65 PolarHBondContact O-OG 3.39Å; K61-A118 HydrophobicContact CG-CB 4.46Å
62C42.3Very low38Very low51 Ų5182.8 Ų82.835%0.34543%0.432SS..Hα-helixtrans-65.2-39.6178.3-67.40000114F58 F59 L60 L64 S65F58-C62 PolarHBondContact O-N 3.17Å; F58-C62 PolarHBondContact O-SG 3.04Å; F59-C62 PolarHBondContact O-N 3.3Å; L60-C62 VanDerWaalsContact C-N 3.31Å; L60-C62 PolarHBondContact O-N 3.34Å; C62-L64 VanDerWaalsContact C-N 3.34Å; C62-S65 PolarHBondContact O-OG 2.94Å
63L42.1Very low37.2Very low41 Ų4186.8 Ų86.822%0.21544%0.442CS..Hα-helixtrans-64.6-38.3176.1-83.7176.8000112.8F59 L60 I187 V201 L203F59-L63 PolarHBondContact O-N 2.91Å; L60-L63 PolarHBondContact O-N 3.31Å; L63-I187 HydrophobicContact CD2-CD1 3.6Å; L63-I187 HydrophobicContact CD2-CG1 4.13Å; L63-V201 HydrophobicContact CD1-CG1 3.66Å; L63-L203 HydrophobicContact CD1-CD2 3.54Å; L63-L203 HydrophobicContact CD1-CG 4.33Å; L63-L203 HydrophobicContact CG-CD2 4.3Å
64L40.7Very low36.5Very low15 Ų1591.4 Ų91.48%0.07947%0.467CS..Hα-helixtrans-85.4-23.5-171.2-62.9168.9000112.2L60 K61 C62 K66 T122 L153 L237L60-L64 HydrophobicContact CB-CD1 4.49Å; L60-L64 WeakPolarHBondContact O-CB 3.22Å; L60-L64 WeakPolarHBondContact O-CD1 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.39Å; L60-L64 VanDerWaalsContact O-N 3.08Å; K61-L64 PolarHBondContact O-N 2.97Å; C62-L64 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 3.05Å; L64-T122 HydrophobicContact CB-CG2 3.9Å; L64-T122 WeakPolarHBondContact CB-OG1 3.39Å; L64-T122 WeakPolarHBondContact CD1-OG1 3.34Å; L64-L153 HydrophobicContact CB-CD1 4.18Å; L64-L153 HydrophobicContact CD2-CD1 3.93Å; L64-L153 HydrophobicContact CD2-CD2 3.46Å; L64-L153 VanDerWaalsContact CD2-CD2 3.46Å; L64-L153 HydrophobicContact CD2-CG 4.34Å; L64-L237 HydrophobicContact CD2-CD2 4.18Å
65S37.5Very low35.5Very low42 Ų4294.7 Ų94.729%0.29448%0.484SS..  trans-80.990.3175.662.20000113K61 C62 H67K61-S65 PolarHBondContact O-N 3.21Å; K61-S65 VanDerWaalsContact O-N 3.12Å; K61-S65 PolarHBondContact O-OG 3.39Å; C62-S65 PolarHBondContact O-OG 2.94Å; S65-H67 PolarHBondContact O-N 3.15Å
66K31.5Very low34.6Very low117 Ų11799.3 Ų99.351%0.50950%0.502SS..  trans-69.423.8172-88.4-173.4175.9174.80115.6L64 K154 S155L64-K66 PolarHBondContact O-N 3.05Å; K66-K154 VanDerWaalsContact CE-O 3.3Å; K66-K154 WeakPolarHBondContact CE-O 3.34Å; K66-K154 PolarHBondContact NZ-O 2.95Å; K66-S155 WeakPolarHBondContact CE-O 3.19Å; K66-S155 PolarHBondContact NZ-O 2.77Å; K66-S155 PolarHBondContact NZ-OG 3.27Å
67H30.4Very low33.5Very low166 Ų166106.3 Ų106.377%0.76954%0.538SS*.SBendtrans-132.3147.9173.3-89.6-99.9000109.5S65 C69S65-H67 PolarHBondContact O-N 3.15Å; H67-C69 PolarHBondContact O-N 2.71Å; H67-C69 VanDerWaalsContact O-N 3.15Å
68K26.4Very low32.5Very low191 Ų191115.3 Ų115.383%0.8357%0.572SS**  trans-55.9118.5172.5-67-178.7177-178.50109.4I70K68-I70 HydrophobicContact CB-CD1 4.38Å; K68-I70 HydrophobicContact CB-CG1 4.27Å; K68-I70 PolarHBondContact O-N 2.76Å
69C28.4Very low31.4Very low106 Ų106118.6 Ų118.672%0.71659%0.589SS**  trans-67.8104169.5-69.10000109.3H67H67-C69 PolarHBondContact O-N 2.71Å; H67-C69 VanDerWaalsContact O-N 3.15Å
70I24.4Very low30.4Very low146 Ų146126.5 Ų126.575%0.74963%0.627SS**  trans-129.977.7169.2-52.8176.8000106K68K68-I70 HydrophobicContact CB-CD1 4.38Å; K68-I70 HydrophobicContact CB-CG1 4.27Å; K68-I70 PolarHBondContact O-N 2.76Å
71D24.4Very low29.1Very low129 Ų129131.7 Ų131.769%0.6966%0.663SS**  trans-158.2117.3171.8-133.8-25.7000108.8F73D71-F73 VanDerWaalsContact C-N 3.28Å; D71-F73 PolarHBondContact O-N 3.39Å
72P26.1Very low28.3Very low124 Ų124132 Ų13281%0.80568%0.677SS**  trans-84.762.5-171.334.8-36.3000112.4I74P72-I74 PolarHBondContact O-N 3.38Å
73F24.1Very low27.4Very low181 Ų181138.2 Ų138.279%0.79470%0.701SS**  trans-84.952.2178.4-108.5-83.2000113.3D71D71-F73 VanDerWaalsContact C-N 3.28Å; D71-F73 PolarHBondContact O-N 3.39Å
74I25Very low26.8Very low158 Ų158140.8 Ų140.881%0.8172%0.72SS**  trans-129.775.9164.8-54.2-176.4000109.2P72P72-I74 PolarHBondContact O-N 3.38Å
75H23.7Very low25.9Very low169 Ų169147.4 Ų147.478%0.78275%0.754SS**SBendtrans-147.7161149.8-101.7-90.9000106
76N23.3Very low25.1Very low144 Ų144154.3 Ų154.377%0.7778%0.78SS**SBendtrans73.836.6178.6-46.76.7000116.5
77L24.4Very low24.6Very low167 Ų167157.9 Ų157.987%0.87480%0.795SS**SBendtrans-132.813160.1-82.1179.7000113.8
78Y23.5Very low24.3Very low213 Ų213157.9 Ų157.984%0.83580%0.8SS**SBendtrans-136.661.1175.2-86.3-72.5000110.1
79E23.9Very low24.1Very low182 Ų182157.6 Ų157.685%0.8580%0.802SS**  trans-160.877.1170.8-135.9168.3-152.500111.2
80E24Very low23.9Very low196 Ų196157.7 Ų157.792%0.91680%0.803SS**SBendtrans-172.8136.3146.5-109.4172.2-164.200112
81S22.1Very low23.9Very low119 Ų119158.5 Ų158.583%0.83281%0.809SS**  trans77.9125.3174.7-155.10000119.1
82P27.2Very low23.9Very low115 Ų115160.9 Ų160.975%0.74782%0.816SS**  trans-104.2160.6-178.740.3-36.1000115.7
83E22.9Very low23.9Very low181 Ų181161.1 Ų161.185%0.84682%0.821SS**  trans32.8163.2140.5-75.9-146.3149.500123.8
84P29.5Very low23.9Very low96 Ų96156.3 Ų156.362%0.62382%0.822SS**  cis-143145.9-46.939-21.7000113.7
85L20.6Very low23.8Very low153 Ų153157.2 Ų157.280%0.80183%0.829SS**  trans-151.393169-93.3-173.4000115.6
86F22.1Very low23.7Very low188 Ų188152.1 Ų152.183%0.82582%0.822SS**  158.2144.9114.9-97.3-76.2000113.1
87K21.1Very low23.6Very low192 Ų192153 Ų15384%0.83583%0.825SS**  trans-108.8143.1169.1-72.6177.8174.9177.20110
88L23.8Very low23.6Very low165 Ų165152.8 Ų152.886%0.86482%0.82SS**  trans-159.698.8145.6-129.680000106
89Q22.4Very low23.6Very low186 Ų186150.8 Ų150.887%0.86982%0.818SS**  52.3116.490.7-89.5-173.4-35.600115.5
90S23.4Very low23.5Very low107 Ų107151 Ų15175%0.74882%0.819SS**  trans-83.4159.4174.151.40000113
91N24.7Very low23.4Very low164 Ų164150.4 Ų150.488%0.87782%0.816SS**  trans-160.6168.4146.9-97.9-16.4000109.9
92E25.1Very low23.4Very low179 Ų179153.6 Ų153.684%0.83682%0.818SS**  trans-108.7166.3-153-55.4174.6118.300116
93S24.3Very low23.1Very low129 Ų129156.4 Ų156.490%0.90282%0.819SS**  trans76.6142.7152.9770000120.1
94G25.2Very low23Very low79 Ų79153.4 Ų153.481%0.81482%0.818SS**  trans157.5124.4176.200000111.1
95D22Very low22.7Very low178 Ų178153.1 Ų153.195%0.95281%0.809SS**  trans-87.2159.2-171.4-140.1-31.1000113.5
96G22.2Very low23.1Very low62 Ų62151.4 Ų151.464%0.63980%0.795SS**  trans-90.4163.6-159.300000117.6
97L21.6Very low23.2Very low161 Ų161148 Ų14884%0.84380%0.795SS**  trans-165.8160.1157.5-113.2169.7000112.1
98Q24.5Very low23.8Very low163 Ų163146.4 Ų146.476%0.76279%0.791SS**  trans62.8107.9170.2-61.6168.713.600115.8
99Q23.4Very low24.5Very low171 Ų171143.7 Ų143.780%0.79978%0.777SS**  63.7117.864.8-64.9-171-22.700115.2
100H22.5Very low25.6Very low186 Ų186136.3 Ų136.386%0.86174%0.743SS**  trans49.166.8159.4-60.8-68.1000117.8
101Q21.8Very low27.1Very low185 Ų185132.9 Ų132.986%0.86472%0.719SS**  trans-86.3142.6153.4-115.9175.40.800110.7
102E20.8Very low28.7Very low185 Ų185125.4 Ų125.486%0.86468%0.679SS**  trans-67.8130.3176.8-64.7173.1102.600110.8S104E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.27Å
103F21Very low30.5Very low174 Ų174119.9 Ų119.976%0.76365%0.653SS**  trans-74.787.3171.7-84.9-87.7000110.4M105F103-M105 HydrophobicContact CB-SD 4.49Å; F103-M105 HydrophobicContact CD1-SD 4.37Å; F103-M105 PolarHBondContact O-N 3.37Å
104S21.7Very low32.2Very low118 Ų118115.2 Ų115.283%0.82562%0.617SS**  trans-69.466168.551.40000111.2E102 F106E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.27Å; S104-F106 PolarHBondContact O-N 2.95Å
105M23.6Very low34Very low90 Ų90111.8 Ų111.844%0.44358%0.58SS.*  trans-78119.5-165.8-121.4164.456.500113D34 F103D34-M105 HydrophobicContact CB-CE 3.61Å; D34-M105 WeakPolarHBondContact OD2-CE 3.13Å; F103-M105 HydrophobicContact CB-SD 4.49Å; F103-M105 HydrophobicContact CD1-SD 4.37Å; F103-M105 PolarHBondContact O-N 3.37Å
106F27.7Very low36.1Very low117 Ų117103.3 Ų103.351%0.51354%0.535SS..  trans68.393.1171.6-58.2-73.9000117.6V32 D34 L36 S104V32-F106 HydrophobicContact CG1-CE2 4.46Å; D34-F106 WeakPolarHBondContact OD2-CE2 3.38Å; L36-F106 HydrophobicContact CD2-CZ 3.9Å; S104-F106 PolarHBondContact O-N 2.95Å
107S25.3Very low38.4Very low117 Ų117102.4 Ų102.482%0.81852%0.516SS*.  trans-87-6.1164.3-172.30000113.9N109S107-N109 PolarHBondContact O-N 3.08Å
108E33.2Very low40.2Very low159 Ų15994.9 Ų94.974%0.74348%0.476SS*.  trans-95.597.6-179-67.1-171.1170.200110.5L110E108-L110 PolarHBondContact O-N 3.37Å
109N38.1Very low42.3Very low108 Ų10887.1 Ų87.158%0.57844%0.44SS*.PPolyproline II helixtrans-63.1129.4169.9-67.5-82.5000109.1S107 S111S107-N109 PolarHBondContact O-N 3.08Å; N109-S111 PolarHBondContact O-N 3.48Å; N109-S111 VanDerWaalsContact O-N 3.15Å
110L44.8Very low44.4Very low31 Ų3179 Ų7916%0.16240%0.402CS..PPolyproline II helixtrans-60.2122.2159.5-111.778.5000108.4I56 E108 L112 I115I56-L110 HydrophobicContact CB-CD2 4.06Å; I56-L110 HydrophobicContact CD1-CD1 3.84Å; I56-L110 HydrophobicContact CD1-CD2 3.99Å; I56-L110 HydrophobicContact CG2-CD2 3.59Å; E108-L110 PolarHBondContact O-N 3.37Å; L110-L112 PolarHBondContact O-N 3.22Å; L110-I115 HydrophobicContact CB-CD1 4.34Å; L110-I115 HydrophobicContact CD2-CD1 4.21Å; L110-I115 HydrophobicContact CD2-CG1 4.25Å
111S55.7Low46.6Very low35 Ų3575.6 Ų75.625%0.24538%0.383CS..PPolyproline II helixtrans-51.6119.6170.3151.50000109.7N109 F113 D114 I115N109-S111 PolarHBondContact O-N 3.48Å; N109-S111 VanDerWaalsContact O-N 3.15Å; S111-F113 PolarHBondContact O-N 3.11Å; S111-F113 WeakPolarHBondContact OG-CB 3.49Å; S111-F113 PolarHBondContact OG-N 3.17Å; S111-D114 VanDerWaalsContact CB-OD2 3.22Å; S111-D114 WeakPolarHBondContact CB-OD2 3.3Å; S111-D114 PolarHBondContact O-N 2.9Å; S111-D114 PolarHBondContact OG-N 3.49Å; S111-D114 PolarHBondContact OG-OD2 2.92Å; S111-I115 PolarHBondContact O-N 3.36Å
112L58.3Low48.5Very low7 Ų768.7 Ų68.74%0.03735%0.353CS..Hα-helixtrans-62.3-34.3172.2178.465.9000110.3V26 V28 L110 D114 I115 I116 A240 A244V26-L112 HydrophobicContact CB-CD2 3.64Å; V26-L112 HydrophobicContact CG1-CD2 3.45Å; V26-L112 VanDerWaalsContact CG1-CD2 3.45Å; V26-L112 WeakPolarHBondContact O-CB 3.47Å; V26-L112 WeakPolarHBondContact O-CD2 3.47Å; V28-L112 HydrophobicContact CG2-CD1 3.84Å; V28-L112 HydrophobicContact CG2-CD2 4.25Å; L110-L112 PolarHBondContact O-N 3.22Å; L112-D114 PolarHBondContact O-N 3.32Å; L112-I115 PolarHBondContact O-N 2.93Å; L112-I116 HydrophobicContact CD1-CD1 3.86Å; L112-I116 HydrophobicContact CD1-CG1 4.01Å; L112-I116 HydrophobicContact CD2-CD1 3.99Å; L112-I116 HydrophobicContact CG-CD1 3.68Å; L112-I116 HydrophobicContact CG-CG1 4.15Å; L112-I116 WeakPolarHBondContact O-CB 3.44Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.99Å; L112-A240 HydrophobicContact CD1-CB 3.61Å; L112-A244 HydrophobicContact CD2-CB 4.1Å
113F62.6Low50.4Low63 Ų6359.9 Ų59.928%0.27631%0.312SS..Hα-helixtrans-51.2-43.3174.5178.5-85.9000110.4M19 V22 S111 I116 N117M19-F113 HydrophobicContact CE-CD1 4.3Å; M19-F113 HydrophobicContact CE-CD2 3.81Å; M19-F113 HydrophobicContact CE-CE1 4.05Å; M19-F113 HydrophobicContact CE-CE2 3.53Å; M19-F113 HydrophobicContact CE-CG 4.18Å; M19-F113 HydrophobicContact CE-CZ 3.65Å; V22-F113 HydrophobicContact CB-CD2 4.32Å; V22-F113 HydrophobicContact CG1-CB 4.4Å; V22-F113 HydrophobicContact CG1-CD2 4.27Å; S111-F113 PolarHBondContact O-N 3.11Å; S111-F113 WeakPolarHBondContact OG-CB 3.49Å; S111-F113 PolarHBondContact OG-N 3.17Å; F113-I116 CarbonylContact O-C 3.56Å; F113-I116 PolarHBondContact O-N 3.34Å; F113-N117 WeakPolarHBondContact O-CB 3.25Å; F113-N117 PolarHBondContact O-N 3.19Å
114D60.4Low52.6Low30 Ų3054 Ų5416%0.1629%0.292CS..Hα-helixtrans-75.4-38.6-178.2-75.2-67.4000114.5L57 S111 L112 I116 N117 A118L57-D114 HydrophobicContact CD1-CB 4.1Å; L57-D114 HydrophobicContact CD2-CB 3.91Å; L57-D114 VanDerWaalsContact CD2-O 3.26Å; L57-D114 WeakPolarHBondContact CD2-O 3.49Å; L57-D114 HydrophobicContact CG-CB 4.17Å; S111-D114 VanDerWaalsContact CB-OD2 3.22Å; S111-D114 WeakPolarHBondContact CB-OD2 3.3Å; S111-D114 PolarHBondContact O-N 2.9Å; S111-D114 PolarHBondContact OG-N 3.49Å; S111-D114 PolarHBondContact OG-OD2 2.92Å; L112-D114 PolarHBondContact O-N 3.32Å; D114-I116 VanDerWaalsContact C-N 3.26Å; D114-I116 PolarHBondContact O-N 2.97Å; D114-N117 PolarHBondContact O-N 2.69Å; D114-A118 PolarHBondContact O-N 3.11Å
115I62.7Low55.1Low7 Ų750.7 Ų50.74%0.03627%0.269CS..Hα-helixtrans-58.9-42.9170.6-61.5173.8000109.9L60 L110 S111 L112 F119 I235 L237L60-I115 HydrophobicContact CD1-CB 4.46Å; L60-I115 HydrophobicContact CD1-CG1 4.17Å; L60-I115 HydrophobicContact CD1-CG2 4.32Å; L110-I115 HydrophobicContact CB-CD1 4.34Å; L110-I115 HydrophobicContact CD2-CD1 4.21Å; L110-I115 HydrophobicContact CD2-CG1 4.25Å; S111-I115 PolarHBondContact O-N 3.36Å; L112-I115 PolarHBondContact O-N 2.93Å; I115-F119 PolarHBondContact O-N 3.16Å; I115-F119 VanDerWaalsContact O-N 3.15Å; I115-I235 HydrophobicContact CD1-CD1 4.3Å; I115-I235 HydrophobicContact CD1-CG2 4.45Å; I115-L237 HydrophobicContact CG2-CD1 3.92Å
116I67.2Low57.4Low0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-75.1-33.7178.7-65.7-178.8000111.7M19 V22 L112 F113 D114 F119 V120 A244 W245M19-I116 HydrophobicContact SD-CG2 4.33Å; V22-I116 HydrophobicContact CG1-CD1 4.13Å; V22-I116 HydrophobicContact CG2-CB 4.35Å; V22-I116 HydrophobicContact CG2-CD1 4.34Å; V22-I116 HydrophobicContact CG2-CG2 3.62Å; L112-I116 HydrophobicContact CD1-CD1 3.86Å; L112-I116 HydrophobicContact CD1-CG1 4.01Å; L112-I116 HydrophobicContact CD2-CD1 3.99Å; L112-I116 HydrophobicContact CG-CD1 3.68Å; L112-I116 HydrophobicContact CG-CG1 4.15Å; L112-I116 WeakPolarHBondContact O-CB 3.44Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 2.99Å; F113-I116 CarbonylContact O-C 3.56Å; F113-I116 PolarHBondContact O-N 3.34Å; D114-I116 VanDerWaalsContact C-N 3.26Å; D114-I116 PolarHBondContact O-N 2.97Å; I116-F119 WeakPolarHBondContact O-CB 3.46Å; I116-F119 PolarHBondContact O-N 3.31Å; I116-V120 HydrophobicContact CG2-CG2 3.79Å; I116-V120 VanDerWaalsContact O-CB 3.28Å; I116-V120 WeakPolarHBondContact O-CB 3.42Å; I116-V120 VanDerWaalsContact O-CG2 3.22Å; I116-V120 WeakPolarHBondContact O-CG2 3.38Å; I116-V120 PolarHBondContact O-N 3.05Å; I116-A244 HydrophobicContact CD1-CB 3.29Å; I116-W245 HydrophobicContact CG2-CH2 3.52Å; I116-W245 HydrophobicContact CG2-CZ2 3.52Å
117N69Low59.2Low44 Ų4447 Ų4724%0.23525%0.253CS..Hα-helixtrans-60.3-49.2174.3-167.68.4000110.1M19 F113 D114 F119 V120 Y121M19-N117 HydrophobicContact CE-CB 3.66Å; M19-N117 HydrophobicContact SD-CB 4.35Å; F113-N117 WeakPolarHBondContact O-CB 3.25Å; F113-N117 PolarHBondContact O-N 3.19Å; D114-N117 PolarHBondContact O-N 2.69Å; N117-F119 VanDerWaalsContact C-N 3.34Å; N117-F119 PolarHBondContact O-N 3.12Å; N117-V120 PolarHBondContact O-N 2.82Å; N117-Y121 WeakPolarHBondContact O-CB 3.49Å; N117-Y121 WeakPolarHBondContact O-CD2 3.34Å; N117-Y121 PolarHBondContact O-N 3Å; N117-Y121 VanDerWaalsContact OD1-CD2 3.22Å; N117-Y121 WeakPolarHBondContact OD1-CD2 3.46Å; N117-Y121 WeakPolarHBondContact OD1-CE2 3.49Å
118A60.9Low61.4Low2 Ų241.4 Ų41.42%0.01721%0.214CC..Hα-helixtrans-57.7-43.4173.200000112.4L57 L60 K61 D114 T122L57-A118 HydrophobicContact CD2-CB 3.93Å; L60-A118 HydrophobicContact CB-CB 4.11Å; K61-A118 HydrophobicContact CG-CB 4.46Å; D114-A118 PolarHBondContact O-N 3.11Å; A118-T122 WeakPolarHBondContact O-CB 3.32Å; A118-T122 VanDerWaalsContact O-CG2 3.25Å; A118-T122 WeakPolarHBondContact O-CG2 3.39Å; A118-T122 PolarHBondContact O-N 3.49Å; A118-T122 VanDerWaalsContact O-N 3.11Å; A118-T122 PolarHBondContact O-OG1 2.99Å
119F68.3Low63.4Low0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-63-51.2175.3177.5-107.4000112.7I115 I116 N117 Y121 T122 L123 L131 L153 L237 V241 W245 L275I115-F119 PolarHBondContact O-N 3.16Å; I115-F119 VanDerWaalsContact O-N 3.15Å; I116-F119 WeakPolarHBondContact O-CB 3.46Å; I116-F119 PolarHBondContact O-N 3.31Å; N117-F119 VanDerWaalsContact C-N 3.34Å; N117-F119 PolarHBondContact O-N 3.12Å; F119-Y121 VanDerWaalsContact C-N 3.32Å; F119-Y121 PolarHBondContact O-N 3.11Å; F119-T122 PolarHBondContact O-N 3.41Å; F119-T122 PolarHBondContact O-OG1 2.9Å; F119-T122 VanDerWaalsContact O-OG1 3.05Å; F119-L123 HydrophobicContact CD1-CD1 4.27Å; F119-L123 HydrophobicContact CE1-CD1 3.88Å; F119-L123 HydrophobicContact CE1-CG 4.35Å; F119-L123 HydrophobicContact CE2-CD2 4.32Å; F119-L123 HydrophobicContact CZ-CD1 4.24Å; F119-L123 HydrophobicContact CZ-CD2 4.1Å; F119-L123 HydrophobicContact CZ-CG 4.33Å; F119-L123 WeakPolarHBondContact O-CG 3.38Å; F119-L123 PolarHBondContact O-N 3.3Å; F119-L131 HydrophobicContact CE1-CD2 4.42Å; F119-L153 HydrophobicContact CD2-CD1 4.2Å; F119-L153 HydrophobicContact CE2-CB 3.8Å; F119-L153 HydrophobicContact CE2-CD1 4.16Å; F119-L153 HydrophobicContact CE2-CD2 4.47Å; F119-L153 HydrophobicContact CE2-CG 4.35Å; F119-L153 HydrophobicContact CZ-CB 4.48Å; F119-L237 HydrophobicContact CD2-CD2 4.32Å; F119-V241 HydrophobicContact CD1-CG2 4.38Å; F119-V241 HydrophobicContact CE1-CG2 4.2Å; F119-W245 HydrophobicContact CD1-CH2 4.33Å; F119-W245 HydrophobicContact CE1-CH2 4.4Å; F119-W245 HydrophobicContact CE1-CZ3 4.34Å; F119-L275 HydrophobicContact CE2-CB 4.43Å; F119-L275 HydrophobicContact CE2-CD1 3.81Å; F119-L275 HydrophobicContact CZ-CB 4.21Å; F119-L275 HydrophobicContact CZ-CD1 4.42Å
120V67.2Low64.8Low0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-64.2-34.4-177.4167.80000112.2R15 I18 M19 I116 N117 I128 W245R15-V120 HydrophobicContact CB-CG1 4.08Å; R15-V120 HydrophobicContact CG-CG1 4.03Å; R15-V120 PolarHBondContact NE-O 3.33Å; R15-V120 VanDerWaalsContact NE-O 3.15Å; I18-V120 HydrophobicContact CB-CG1 4.42Å; I18-V120 HydrophobicContact CG2-CG1 4.29Å; I18-V120 HydrophobicContact CG2-CG2 3.62Å; M19-V120 HydrophobicContact CG-CG1 4.05Å; M19-V120 HydrophobicContact SD-CB 3.71Å; M19-V120 HydrophobicContact SD-CG1 3.78Å; M19-V120 HydrophobicContact SD-CG2 3.81Å; I116-V120 HydrophobicContact CG2-CG2 3.79Å; I116-V120 VanDerWaalsContact O-CB 3.28Å; I116-V120 WeakPolarHBondContact O-CB 3.42Å; I116-V120 VanDerWaalsContact O-CG2 3.22Å; I116-V120 WeakPolarHBondContact O-CG2 3.38Å; I116-V120 PolarHBondContact O-N 3.05Å; N117-V120 PolarHBondContact O-N 2.82Å; V120-I128 HydrophobicContact CG1-CD1 3.85Å; V120-W245 HydrophobicContact CG2-CH2 4.25Å; V120-W245 HydrophobicContact CG2-CZ2 4.41Å
121Y69.5Low66Low116 Ų11629.7 Ų29.746%0.45516%0.157SC..Hα-helixtrans-84.4-16.6177.3-80.5-108.5000114.3R15 M19 N117 F119R15-Y121 HydrophobicContact CB-CE2 4.25Å; R15-Y121 VanDerWaalsContact CZ-O 3.22Å; R15-Y121 PolarHBondContact NH1-O 3.14Å; R15-Y121 PolarHBondContact NH2-O 3.09Å; M19-Y121 HydrophobicContact CG-CE2 4.19Å; N117-Y121 WeakPolarHBondContact O-CB 3.49Å; N117-Y121 WeakPolarHBondContact O-CD2 3.34Å; N117-Y121 PolarHBondContact O-N 3Å; N117-Y121 VanDerWaalsContact OD1-CD2 3.22Å; N117-Y121 WeakPolarHBondContact OD1-CD2 3.46Å; N117-Y121 WeakPolarHBondContact OD1-CE2 3.49Å; F119-Y121 VanDerWaalsContact C-N 3.32Å; F119-Y121 PolarHBondContact O-N 3.11Å
122T60.2Low66.8Low39 Ų3928.4 Ų28.424%0.23915%0.148CC..Hα-helixtrans-92.5-19.3172.152.90000113.7L64 A118 F119L64-T122 HydrophobicContact CB-CG2 3.9Å; L64-T122 WeakPolarHBondContact CB-OG1 3.39Å; L64-T122 WeakPolarHBondContact CD1-OG1 3.34Å; A118-T122 WeakPolarHBondContact O-CB 3.32Å; A118-T122 VanDerWaalsContact O-CG2 3.25Å; A118-T122 WeakPolarHBondContact O-CG2 3.39Å; A118-T122 PolarHBondContact O-N 3.49Å; A118-T122 VanDerWaalsContact O-N 3.11Å; A118-T122 PolarHBondContact O-OG1 2.99Å; F119-T122 PolarHBondContact O-N 3.41Å; F119-T122 PolarHBondContact O-OG1 2.9Å; F119-T122 VanDerWaalsContact O-OG1 3.05Å
123L61.1Low67.4Low1 Ų133.3 Ų33.31%0.00517%0.169CC..SBendtrans-55.5138.7169.1-78175.1000112.4R15 F119 D127 I128 L131 L153R15-L123 PolarHBondContact NH2-O 3.07Å; F119-L123 HydrophobicContact CD1-CD1 4.27Å; F119-L123 HydrophobicContact CE1-CD1 3.88Å; F119-L123 HydrophobicContact CE1-CG 4.35Å; F119-L123 HydrophobicContact CE2-CD2 4.32Å; F119-L123 HydrophobicContact CZ-CD1 4.24Å; F119-L123 HydrophobicContact CZ-CD2 4.1Å; F119-L123 HydrophobicContact CZ-CG 4.33Å; F119-L123 WeakPolarHBondContact O-CG 3.38Å; F119-L123 PolarHBondContact O-N 3.3Å; L123-D127 HydrophobicContact CB-CB 4.5Å; L123-D127 HydrophobicContact CD2-CB 3.85Å; L123-I128 HydrophobicContact CB-CB 4.38Å; L123-I128 HydrophobicContact CB-CD1 4.3Å; L123-I128 HydrophobicContact CD1-CD1 4.04Å; L123-L131 HydrophobicContact CD1-CD2 3.56Å; L123-L153 HydrophobicContact CD2-CB 3.82Å; L123-L153 HydrophobicContact CD2-CD1 4.31Å
124S67.5Low67.2Low50 Ų5030.5 Ų30.535%0.3516%0.157SC..  trans-68.4164.5179.387.70000112.3E126 D127 I128S124-E126 PolarHBondContact O-N 3.29Å; S124-E126 PolarHBondContact OG-N 3.01Å; S124-D127 WeakPolarHBondContact CB-OD2 3.47Å; S124-D127 PolarHBondContact N-OD2 3.15Å; S124-D127 PolarHBondContact O-N 2.85Å; S124-D127 PolarHBondContact OG-N 2.77Å; S124-D127 PolarHBondContact OG-OD2 2.95Å; S124-I128 WeakPolarHBondContact O-CB 3.34Å; S124-I128 WeakPolarHBondContact O-CG2 2.88Å; S124-I128 PolarHBondContact O-N 3.16Å
125S73.7Confident67.4Low48 Ų4830 Ų3034%0.33615%0.154SC..THydrogen-bonded Turntrans-59.5-11.4176-73.10000115.2L129S125-L129 VanDerWaalsContact O-CD1 3.29Å; S125-L129 WeakPolarHBondContact O-CD1 3.4Å; S125-L129 WeakPolarHBondContact O-CG 3.4Å
126E72.2Confident67.5Low122 Ų12234.9 Ų34.957%0.5718%0.175SC*.THydrogen-bonded Turntrans-101.9-43.8178.3-48.4-121.7132.700110.1K7 S124 I128 L129 A130K7-E126 IonicContact NZ-OE1 2.7Å; K7-E126 PolarHBondContact NZ-OE1 3.14Å; S124-E126 PolarHBondContact O-N 3.29Å; S124-E126 PolarHBondContact OG-N 3.01Å; E126-I128 VanDerWaalsContact C-N 3.35Å; E126-I128 PolarHBondContact O-N 3.08Å; E126-L129 CarbonylContact O-C 3.57Å; E126-L129 PolarHBondContact O-N 2.99Å; E126-A130 PolarHBondContact O-N 3.41Å
127D64.8Low66.8Low8 Ų840.1 Ų40.14%0.04320%0.198CC..Hα-helixtrans-65.4-39.1178.9-45.9-45000111.4L123 S124 L129 A130 L131 S151 F152L123-D127 HydrophobicContact CB-CB 4.5Å; L123-D127 HydrophobicContact CD2-CB 3.85Å; S124-D127 WeakPolarHBondContact CB-OD2 3.47Å; S124-D127 PolarHBondContact N-OD2 3.15Å; S124-D127 PolarHBondContact O-N 2.85Å; S124-D127 PolarHBondContact OG-N 2.77Å; S124-D127 PolarHBondContact OG-OD2 2.95Å; D127-L129 VanDerWaalsContact C-N 3.3Å; D127-L129 PolarHBondContact O-N 3.49Å; D127-A130 CarbonylContact O-C 3.56Å; D127-A130 WeakPolarHBondContact O-CA 3.45Å; D127-A130 WeakPolarHBondContact O-CB 3.49Å; D127-A130 PolarHBondContact O-N 2.99Å; D127-A130 VanDerWaalsContact O-N 3.08Å; D127-L131 PolarHBondContact O-N 3.18Å; D127-S151 VanDerWaalsContact OD1-CA 3.25Å; D127-S151 WeakPolarHBondContact OD1-CA 3.46Å; D127-S151 WeakPolarHBondContact OD1-CB 3.3Å; D127-S151 PolarHBondContact OD1-N 3.19Å; D127-S151 VanDerWaalsContact OD1-O 3.07Å; D127-S151 PolarHBondContact OD1-OG 3.15Å; D127-F152 PolarHBondContact OD1-N 3.43Å
128I72.7Confident65.7Low0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-64.8-34.1175.4-164.170.5000112.4V11 A14 R15 I18 V120 L123 S124 E126 A130 D132V11-I128 HydrophobicContact CB-CG2 4.4Å; V11-I128 HydrophobicContact CG1-CG2 3.88Å; V11-I128 HydrophobicContact CG2-CG2 4.04Å; A14-I128 HydrophobicContact CB-CG1 4.17Å; R15-I128 HydrophobicContact CG-CD1 3.73Å; R15-I128 HydrophobicContact CG-CG1 3.66Å; I18-I128 HydrophobicContact CD1-CD1 3.35Å; I18-I128 HydrophobicContact CD1-CG1 3.89Å; V120-I128 HydrophobicContact CG1-CD1 3.85Å; L123-I128 HydrophobicContact CB-CB 4.38Å; L123-I128 HydrophobicContact CB-CD1 4.3Å; L123-I128 HydrophobicContact CD1-CD1 4.04Å; S124-I128 WeakPolarHBondContact O-CB 3.34Å; S124-I128 WeakPolarHBondContact O-CG2 2.88Å; S124-I128 PolarHBondContact O-N 3.16Å; E126-I128 VanDerWaalsContact C-N 3.35Å; E126-I128 PolarHBondContact O-N 3.08Å; I128-A130 VanDerWaalsContact C-N 3.31Å; I128-D132 WeakPolarHBondContact O-CB 3.12Å; I128-D132 PolarHBondContact O-N 2.94Å
129L75.9Confident64.7Low40 Ų4044.6 Ų44.621%0.20922%0.223CC..Hα-helixtrans-78.9-16.8174.5-67.9178.4000112.3R10 V11 A14 S125 E126 D127 K133R10-L129 HydrophobicContact CB-CD2 4.31Å; V11-L129 HydrophobicContact CG2-CD1 4.06Å; V11-L129 HydrophobicContact CG2-CD2 4.33Å; V11-L129 HydrophobicContact CG2-CG 4.05Å; A14-L129 HydrophobicContact CB-CD2 3.93Å; S125-L129 VanDerWaalsContact O-CD1 3.29Å; S125-L129 WeakPolarHBondContact O-CD1 3.4Å; S125-L129 WeakPolarHBondContact O-CG 3.4Å; E126-L129 CarbonylContact O-C 3.57Å; E126-L129 PolarHBondContact O-N 2.99Å; D127-L129 VanDerWaalsContact C-N 3.3Å; D127-L129 PolarHBondContact O-N 3.49Å; L129-K133 WeakPolarHBondContact O-CD 3.36Å; L129-K133 VanDerWaalsContact O-CG 3.23Å; L129-K133 WeakPolarHBondContact O-CG 3.35Å
130A67.3Low63.2Low11 Ų1150.7 Ų50.79%0.09125%0.251CS..Hα-helixtrans-79.3-49.6167.800000110.6E126 D127 I128 D132 K133 A134 L145 F152E126-A130 PolarHBondContact O-N 3.41Å; D127-A130 CarbonylContact O-C 3.56Å; D127-A130 WeakPolarHBondContact O-CA 3.45Å; D127-A130 WeakPolarHBondContact O-CB 3.49Å; D127-A130 PolarHBondContact O-N 2.99Å; D127-A130 VanDerWaalsContact O-N 3.08Å; I128-A130 VanDerWaalsContact C-N 3.31Å; A130-D132 PolarHBondContact O-N 2.55Å; A130-K133 WeakPolarHBondContact O-CB 3.18Å; A130-K133 PolarHBondContact O-N 3.45Å; A130-K133 VanDerWaalsContact O-N 3.13Å; A130-A134 PolarHBondContact O-N 2.78Å; A130-L145 HydrophobicContact CB-CD2 3.98Å; A130-F152 HydrophobicContact CB-CE2 4.25Å
131L68.8Low61.9Low0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-59.3-44.4176.5-179.455.9000112.1I18 F119 L123 D127 K133 A134 L135 F152 W245I18-L131 HydrophobicContact CD1-CB 4.05Å; I18-L131 HydrophobicContact CD1-CD2 4.02Å; I18-L131 HydrophobicContact CD1-CG 3.82Å; I18-L131 HydrophobicContact CG1-CG 4.27Å; I18-L131 HydrophobicContact CG2-CD2 3.93Å; I18-L131 HydrophobicContact CG2-CG 4.29Å; F119-L131 HydrophobicContact CE1-CD2 4.42Å; L123-L131 HydrophobicContact CD1-CD2 3.56Å; D127-L131 PolarHBondContact O-N 3.18Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.85Å; L131-A134 WeakPolarHBondContact O-CB 3.29Å; L131-A134 PolarHBondContact O-N 2.96Å; L131-L135 HydrophobicContact CD1-CD1 3.63Å; L131-L135 HydrophobicContact CD1-CG 3.97Å; L131-L135 HydrophobicContact CG-CD1 3.91Å; L131-L135 WeakPolarHBondContact O-CG 3.39Å; L131-L135 PolarHBondContact O-N 2.83Å; L131-F152 HydrophobicContact CB-CE1 4.25Å; L131-F152 HydrophobicContact CB-CE2 4.39Å; L131-F152 HydrophobicContact CB-CZ 3.66Å; L131-F152 HydrophobicContact CD1-CE1 4.08Å; L131-F152 HydrophobicContact CD1-CZ 3.75Å; L131-F152 HydrophobicContact CD2-CE1 4.45Å; L131-F152 HydrophobicContact CG-CE1 4.49Å; L131-F152 HydrophobicContact CG-CZ 4.18Å; L131-W245 HydrophobicContact CD2-CH2 4.25Å
132D73.9Confident60.6Low8 Ų846.1 Ų46.14%0.04324%0.236CC..Hα-helixtrans-61.7-34.8175.3166.182.8000112.3A14 R17 I18 I128 A130 K136A14-D132 HydrophobicContact CB-CB 3.6Å; R17-D132 IonicContact CZ-OD1 2.79Å; R17-D132 IonicContact NE-OD1 2.82Å; R17-D132 PolarHBondContact NE-OD1 3.05Å; R17-D132 VanDerWaalsContact NH2-CG 3.34Å; R17-D132 IonicContact NH2-OD1 3.15Å; R17-D132 PolarHBondContact NH2-OD1 3.13Å; R17-D132 IonicContact NH2-OD2 3.29Å; R17-D132 PolarHBondContact NH2-OD2 3.27Å; I18-D132 HydrophobicContact CD1-CB 3.92Å; I18-D132 HydrophobicContact CG1-CB 4.27Å; I128-D132 WeakPolarHBondContact O-CB 3.12Å; I128-D132 PolarHBondContact O-N 2.94Å; A130-D132 PolarHBondContact O-N 2.55Å; D132-K136 VanDerWaalsContact CG-NZ 3.34Å; D132-K136 WeakPolarHBondContact O-CB 3.35Å; D132-K136 WeakPolarHBondContact O-CD 3.24Å; D132-K136 WeakPolarHBondContact O-CG 3.15Å; D132-K136 PolarHBondContact O-N 3.16Å; D132-K136 VanDerWaalsContact O-N 3.07Å; D132-K136 WeakPolarHBondContact OD1-CE 3.13Å; D132-K136 IonicContact OD1-NZ 2.64Å; D132-K136 PolarHBondContact OD1-NZ 2.99Å; D132-K136 WeakPolarHBondContact OD2-CE 3.24Å; D132-K136 IonicContact OD2-NZ 3.23Å; D132-K136 PolarHBondContact OD2-NZ 3.47Å
133K68.9Low59.7Low111 Ų11148.2 Ų48.248%0.48324%0.24SC..Hα-helixtrans-69.9-42.1170.6-74.5171.8-175.7177.50111.7L129 A130 L131 L135 F137L129-K133 WeakPolarHBondContact O-CD 3.36Å; L129-K133 VanDerWaalsContact O-CG 3.23Å; L129-K133 WeakPolarHBondContact O-CG 3.35Å; A130-K133 WeakPolarHBondContact O-CB 3.18Å; A130-K133 PolarHBondContact O-N 3.45Å; A130-K133 VanDerWaalsContact O-N 3.13Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.85Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 3.13Å; K133-F137 HydrophobicContact CB-CD2 4.19Å; K133-F137 HydrophobicContact CB-CE2 4.42Å; K133-F137 HydrophobicContact CG-CE2 4.33Å; K133-F137 WeakPolarHBondContact O-CB 3.17Å; K133-F137 VanDerWaalsContact O-CD2 3.27Å; K133-F137 WeakPolarHBondContact O-CD2 3.2Å; K133-F137 PolarHBondContact O-N 2.95Å
134A60.1Low58.6Low4 Ų451.5 Ų51.53%0.03326%0.262CS..Hα-helixtrans-59.4-44.9-178.500000111.9A130 L131 L145 Y278A130-A134 PolarHBondContact O-N 2.78Å; L131-A134 WeakPolarHBondContact O-CB 3.29Å; L131-A134 PolarHBondContact O-N 2.96Å; A134-L145 VanDerWaalsContact CA-CD1 3.41Å; A134-L145 HydrophobicContact CB-CD1 3.46Å; A134-L145 VanDerWaalsContact CB-CD1 3.46Å; A134-L145 HydrophobicContact CB-CD2 3.92Å; A134-L145 HydrophobicContact CB-CG 4.3Å; A134-Y278 HydrophobicContact CB-CD2 3.89Å; A134-Y278 HydrophobicContact CB-CE2 4.05Å
135L64.8Low57.3Low18 Ų1849.6 Ų49.69%0.09425%0.248CC..Hα-helixtrans-78.4-43.1-178.3-66.4169.2000112.4I18 L21 L131 K133 G138 W245 Y278I18-L135 HydrophobicContact CB-CD1 4.43Å; I18-L135 HydrophobicContact CG1-CD1 4.04Å; I18-L135 HydrophobicContact CG2-CD1 3.97Å; L21-L135 HydrophobicContact CD1-CB 3.76Å; L21-L135 HydrophobicContact CD1-CD1 4.23Å; L21-L135 HydrophobicContact CD1-CG 4.46Å; L131-L135 HydrophobicContact CD1-CD1 3.63Å; L131-L135 HydrophobicContact CD1-CG 3.97Å; L131-L135 HydrophobicContact CG-CD1 3.91Å; L131-L135 WeakPolarHBondContact O-CG 3.39Å; L131-L135 PolarHBondContact O-N 2.83Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 3.13Å; L135-G138 WeakPolarHBondContact O-CA 3.36Å; L135-G138 PolarHBondContact O-N 3.2Å; L135-G138 VanDerWaalsContact O-N 3.17Å; L135-W245 HydrophobicContact CD1-CD2 4.3Å; L135-W245 HydrophobicContact CD1-CG 4.34Å; L135-W245 HydrophobicContact CD2-CB 3.72Å; L135-W245 HydrophobicContact CD2-CD2 4.26Å; L135-W245 HydrophobicContact CD2-CG 3.61Å; L135-Y278 HydrophobicContact CD2-CE2 3.93Å
136K63.8Low55.8Low111 Ų11148.8 Ų48.848%0.48324%0.239SC..Hα-helixtrans-58.4-51.7175.6-84.4173.5177.2160.90113.1R17 D132 G138R17-K136 VanDerWaalsContact CZ-NZ 3.34Å; D132-K136 VanDerWaalsContact CG-NZ 3.34Å; D132-K136 WeakPolarHBondContact O-CB 3.35Å; D132-K136 WeakPolarHBondContact O-CD 3.24Å; D132-K136 WeakPolarHBondContact O-CG 3.15Å; D132-K136 PolarHBondContact O-N 3.16Å; D132-K136 VanDerWaalsContact O-N 3.07Å; D132-K136 WeakPolarHBondContact OD1-CE 3.13Å; D132-K136 IonicContact OD1-NZ 2.64Å; D132-K136 PolarHBondContact OD1-NZ 2.99Å; D132-K136 WeakPolarHBondContact OD2-CE 3.24Å; D132-K136 IonicContact OD2-NZ 3.23Å; D132-K136 PolarHBondContact OD2-NZ 3.47Å; K136-G138 PolarHBondContact O-N 3.23Å
137F52.4Low54.2Low110 Ų11050.4 Ų50.448%0.48224%0.244SC..THydrogen-bonded Turntrans-83.547.9177-61.7-67.3000108.7K133 R139 E140 G141K133-F137 HydrophobicContact CB-CD2 4.19Å; K133-F137 HydrophobicContact CB-CE2 4.42Å; K133-F137 HydrophobicContact CG-CE2 4.33Å; K133-F137 WeakPolarHBondContact O-CB 3.17Å; K133-F137 VanDerWaalsContact O-CD2 3.27Å; K133-F137 WeakPolarHBondContact O-CD2 3.2Å; K133-F137 PolarHBondContact O-N 2.95Å; F137-R139 PolarHBondContact O-N 2.7Å; F137-E140 PolarHBondContact O-N 2.94Å; F137-G141 VanDerWaalsContact CB-CA 3.41Å; F137-G141 PolarHBondContact O-N 3.47Å
138G45.9Very low52.8Low36 Ų3653.1 Ų53.137%0.37126%0.261SS..THydrogen-bonded Turntrans-49.5126.4-17800000109.3L135 K136 E140L135-G138 WeakPolarHBondContact O-CA 3.36Å; L135-G138 PolarHBondContact O-N 3.2Å; L135-G138 VanDerWaalsContact O-N 3.17Å; K136-G138 PolarHBondContact O-N 3.23Å; G138-E140 PolarHBondContact O-N 3.46Å
139R40.3Very low51.1Low103 Ų10357.5 Ų57.539%0.38929%0.29SS..THydrogen-bonded Turntrans65.9-32.4-174-57.6169.4161.1-112.40.6116.6F137 Q714 L733 N736F137-R139 PolarHBondContact O-N 2.7Å; R139-Q714 PolarHBondContact O-NE2 3.49Å; R139-L733 HydrophobicContact CB-CB 4.05Å; R139-L733 WeakPolarHBondContact CB-O 3.21Å; R139-L733 VanDerWaalsContact CD-O 3.22Å; R139-L733 WeakPolarHBondContact CD-O 3.05Å; R139-L733 HydrophobicContact CG-CB 4.2Å; R139-L733 WeakPolarHBondContact CG-O 3.4Å; R139-L733 PolarHBondContact NH1-O 3.07Å; R139-N736 PolarHBondContact NH1-OD1 3.1Å; R139-N736 PolarHBondContact NH2-OD1 2.82Å
140E36.7Very low49Very low129 Ų12956.4 Ų56.460%0.60329%0.285SS*.THydrogen-bonded Turntrans-92.2-39.3-174.7-63-161.3142.200115.3F137 G138 Y142 Y143 A734F137-E140 PolarHBondContact O-N 2.94Å; G138-E140 PolarHBondContact O-N 3.46Å; E140-Y142 PolarHBondContact O-N 2.67Å; E140-Y143 VanDerWaalsContact O-CD2 3.23Å; E140-Y143 WeakPolarHBondContact O-CD2 3.19Å; E140-A734 HydrophobicContact CG-CB 4.27Å
141G39Very low47.4Very low8 Ų857.9 Ų57.98%0.08230%0.295CS..THydrogen-bonded Turntrans-81.21.5-175.400000114.8F137 Y143 C144F137-G141 VanDerWaalsContact CB-CA 3.41Å; F137-G141 PolarHBondContact O-N 3.47Å; G141-Y143 PolarHBondContact O-N 2.98Å; G141-Y143 VanDerWaalsContact O-N 3.08Å; G141-C144 WeakPolarHBondContact O-CB 3.46Å; G141-C144 PolarHBondContact O-N 3.43Å
142Y42.4Very low45.6Very low12 Ų1258.1 Ų58.15%0.04730%0.296CS..Hα-helixtrans-38.2-44.3171.6175.2-106.2000113.2E140 C144 L145 M146 I259 Y278 Q714 Q731 L733E140-Y142 PolarHBondContact O-N 2.67Å; Y142-C144 VanDerWaalsContact C-N 3.34Å; Y142-C144 PolarHBondContact O-N 3.17Å; Y142-L145 PolarHBondContact O-N 3.3Å; Y142-M146 HydrophobicContact CD1-CG 4.27Å; Y142-M146 HydrophobicContact CD2-CG 4.11Å; Y142-M146 HydrophobicContact CE1-CE 4.38Å; Y142-M146 HydrophobicContact CE1-CG 4.01Å; Y142-M146 HydrophobicContact CE2-CG 3.84Å; Y142-M146 HydrophobicContact CE2-SD 4.05Å; Y142-M146 HydrophobicContact CG-CG 4.32Å; Y142-M146 WeakPolarHBondContact O-CB 3.46Å; Y142-M146 WeakPolarHBondContact O-CG 3.2Å; Y142-M146 PolarHBondContact O-N 3.01Å; Y142-M146 WeakPolarHBondContact OH-CE 3.39Å; Y142-I259 HydrophobicContact CE2-CD1 4.35Å; Y142-I259 WeakPolarHBondContact OH-CD1 3.46Å; Y142-Y278 WeakPolarHBondContact CE2-O 3.26Å; Y142-Q714 HydrophobicContact CD1-CG 4.3Å; Y142-Q731 HydrophobicContact CE1-CB 4.36Å; Y142-Q731 PolarHBondContact OH-OE1 2.86Å; Y142-L733 HydrophobicContact CD2-CD1 4.11Å; Y142-L733 HydrophobicContact CE2-CD1 4.27Å
143Y41.6Very low43.6Very low82 Ų8258.6 Ų58.632%0.32230%0.299SS..Hα-helixtrans-61.8-35.5179.5-51.4-76.4000114.9E140 G141 K147 S713 Q714E140-Y143 VanDerWaalsContact O-CD2 3.23Å; E140-Y143 WeakPolarHBondContact O-CD2 3.19Å; G141-Y143 PolarHBondContact O-N 2.98Å; G141-Y143 VanDerWaalsContact O-N 3.08Å; Y143-K147 PolarHBondContact O-N 3.27Å; Y143-S713 VanDerWaalsContact CE1-C 3.48Å; Y143-S713 VanDerWaalsContact OH-C 3.28Å; Y143-S713 VanDerWaalsContact OH-CA 3.32Å; Y143-S713 WeakPolarHBondContact OH-CA 3.4Å; Y143-S713 WeakPolarHBondContact OH-CB 3.31Å; Y143-S713 PolarHBondContact OH-N 2.83Å; Y143-Q714 HydrophobicContact CE1-CB 4.31Å; Y143-Q714 HydrophobicContact CE1-CG 3.59Å; Y143-Q714 HydrophobicContact CE2-CG 4.08Å; Y143-Q714 WeakPolarHBondContact OH-CG 3.43Å; Y143-Q714 PolarHBondContact OH-N 2.54Å; Y143-Q714 VanDerWaalsContact OH-N 3.08Å
144C38.9Very low41.9Very low71 Ų7159.3 Ų59.348%0.4830%0.302SS..Hα-helixtrans-64.3-48178.3-74.60000108.7G141 Y142 K147 T148G141-C144 WeakPolarHBondContact O-CB 3.46Å; G141-C144 PolarHBondContact O-N 3.43Å; Y142-C144 VanDerWaalsContact C-N 3.34Å; Y142-C144 PolarHBondContact O-N 3.17Å; C144-K147 CarbonylContact O-C 3.47Å; C144-K147 PolarHBondContact O-N 2.6Å; C144-K147 VanDerWaalsContact O-N 3.16Å; C144-T148 WeakPolarHBondContact O-CB 3.29Å; C144-T148 VanDerWaalsContact O-CG2 3.28Å; C144-T148 WeakPolarHBondContact O-CG2 3.41Å; C144-T148 PolarHBondContact O-N 3.23Å; C144-T148 PolarHBondContact O-OG1 2.97Å
145L40.2Very low40.5Very low9 Ų959.4 Ų59.45%0.04730%0.302CS..Hα-helixtrans-73.7-35.4-175.7-72.3115.6000114.1A130 A134 Y142 K147 F152A130-L145 HydrophobicContact CB-CD2 3.98Å; A134-L145 VanDerWaalsContact CA-CD1 3.41Å; A134-L145 HydrophobicContact CB-CD1 3.46Å; A134-L145 VanDerWaalsContact CB-CD1 3.46Å; A134-L145 HydrophobicContact CB-CD2 3.92Å; A134-L145 HydrophobicContact CB-CG 4.3Å; Y142-L145 PolarHBondContact O-N 3.3Å; L145-K147 PolarHBondContact O-N 3.4Å; L145-F152 HydrophobicContact CD2-CE2 4.16Å
146M42.4Very low38.8Very low32 Ų3260.3 Ų60.316%0.15831%0.308CS..THydrogen-bonded Turntrans-63.2-8.1170.5-69.5-78.1-75.400113.6Y142 G260Y142-M146 HydrophobicContact CD1-CG 4.27Å; Y142-M146 HydrophobicContact CD2-CG 4.11Å; Y142-M146 HydrophobicContact CE1-CE 4.38Å; Y142-M146 HydrophobicContact CE1-CG 4.01Å; Y142-M146 HydrophobicContact CE2-CG 3.84Å; Y142-M146 HydrophobicContact CE2-SD 4.05Å; Y142-M146 HydrophobicContact CG-CG 4.32Å; Y142-M146 WeakPolarHBondContact O-CB 3.46Å; Y142-M146 WeakPolarHBondContact O-CG 3.2Å; Y142-M146 PolarHBondContact O-N 3.01Å; Y142-M146 WeakPolarHBondContact OH-CE 3.39Å; M146-G260 VanDerWaalsContact CE-CA 3.47Å
147K38.6Very low37Very low155 Ų15558 Ų5867%0.67430%0.302SS*.THydrogen-bonded Turntrans-126.2-23.3178.1-68.5-174.8175.5-179.50115.1Y143 C144 L145Y143-K147 PolarHBondContact O-N 3.27Å; C144-K147 CarbonylContact O-C 3.47Å; C144-K147 PolarHBondContact O-N 2.6Å; C144-K147 VanDerWaalsContact O-N 3.16Å; L145-K147 PolarHBondContact O-N 3.4Å
148T34.3Very low36Very low65 Ų6554.4 Ų54.440%0.39929%0.286SS..SBendtrans-84.1143.2179.953.70000111.9C144 S150C144-T148 WeakPolarHBondContact O-CB 3.29Å; C144-T148 VanDerWaalsContact O-CG2 3.28Å; C144-T148 WeakPolarHBondContact O-CG2 3.41Å; C144-T148 PolarHBondContact O-N 3.23Å; C144-T148 PolarHBondContact O-OG1 2.97Å; T148-S150 PolarHBondContact O-N 3.11Å
149P36.2Very low34.9Very low93 Ų9359.6 Ų59.660%0.60430%0.3SS*.  trans-72.666.2176.333.8-38.6000111.5S151P149-S151 PolarHBondContact O-N 3.11Å
150S33Very low34.2Very low16 Ų1658.4 Ų58.411%0.11231%0.308CS..  trans-77.9110.4175.8580000109.9T148 F152T148-S150 PolarHBondContact O-N 3.11Å; S150-F152 PolarHBondContact O-N 3.37Å
151S32.8Very low33.5Very low42 Ų4260.2 Ų60.229%0.29432%0.321SS..  trans-77.837.3-176.746.60000113.9D127 P149 L153D127-S151 VanDerWaalsContact OD1-CA 3.25Å; D127-S151 WeakPolarHBondContact OD1-CA 3.46Å; D127-S151 WeakPolarHBondContact OD1-CB 3.3Å; D127-S151 PolarHBondContact OD1-N 3.19Å; D127-S151 VanDerWaalsContact OD1-O 3.07Å; D127-S151 PolarHBondContact OD1-OG 3.15Å; P149-S151 PolarHBondContact O-N 3.11Å; S151-L153 PolarHBondContact O-N 2.94Å
152F31.5Very low32.7Very low6 Ų664.3 Ų64.33%0.02635%0.349CS..THydrogen-bonded Turntrans-36.7126.3-179.3-109-93.8000111.8D127 A130 L131 L145 S150 K154 N276D127-F152 PolarHBondContact OD1-N 3.43Å; A130-F152 HydrophobicContact CB-CE2 4.25Å; L131-F152 HydrophobicContact CB-CE1 4.25Å; L131-F152 HydrophobicContact CB-CE2 4.39Å; L131-F152 HydrophobicContact CB-CZ 3.66Å; L131-F152 HydrophobicContact CD1-CE1 4.08Å; L131-F152 HydrophobicContact CD1-CZ 3.75Å; L131-F152 HydrophobicContact CD2-CE1 4.45Å; L131-F152 HydrophobicContact CG-CE1 4.49Å; L131-F152 HydrophobicContact CG-CZ 4.18Å; L145-F152 HydrophobicContact CD2-CE2 4.16Å; S150-F152 PolarHBondContact O-N 3.37Å; F152-K154 PolarHBondContact O-N 3.15Å; F152-K154 VanDerWaalsContact O-N 3.14Å; F152-N276 HydrophobicContact CD1-CB 4.04Å; F152-N276 HydrophobicContact CD2-CB 4.03Å; F152-N276 HydrophobicContact CE1-CB 3.98Å; F152-N276 HydrophobicContact CE2-CB 3.97Å; F152-N276 HydrophobicContact CG-CB 4.05Å; F152-N276 HydrophobicContact CZ-CB 3.93Å
153L32.1Very low31.7Very low17 Ų1768.8 Ų68.89%0.08938%0.377CS..THydrogen-bonded Turntrans-10.396-164.7-166.4121000113.9L64 F119 L123 S151 S155 L275L64-L153 HydrophobicContact CB-CD1 4.18Å; L64-L153 HydrophobicContact CD2-CD1 3.93Å; L64-L153 HydrophobicContact CD2-CD2 3.46Å; L64-L153 VanDerWaalsContact CD2-CD2 3.46Å; L64-L153 HydrophobicContact CD2-CG 4.34Å; F119-L153 HydrophobicContact CD2-CD1 4.2Å; F119-L153 HydrophobicContact CE2-CB 3.8Å; F119-L153 HydrophobicContact CE2-CD1 4.16Å; F119-L153 HydrophobicContact CE2-CD2 4.47Å; F119-L153 HydrophobicContact CE2-CG 4.35Å; F119-L153 HydrophobicContact CZ-CB 4.48Å; L123-L153 HydrophobicContact CD2-CB 3.82Å; L123-L153 HydrophobicContact CD2-CD1 4.31Å; S151-L153 PolarHBondContact O-N 2.94Å; L153-S155 PolarHBondContact O-N 3.11Å; L153-L275 HydrophobicContact CD2-CD1 4.41Å
154K33.9Very low30.6Very low127 Ų12773.9 Ų73.955%0.55240%0.401SS*.  trans-50.594-174-58.1176.4-175.9173.90111.8K66 F152 F264K66-K154 VanDerWaalsContact CE-O 3.3Å; K66-K154 WeakPolarHBondContact CE-O 3.34Å; K66-K154 PolarHBondContact NZ-O 2.95Å; F152-K154 PolarHBondContact O-N 3.15Å; F152-K154 VanDerWaalsContact O-N 3.14Å; K154-F264 VanDerWaalsContact CA-CZ 3.48Å; K154-F264 HydrophobicContact CB-CE2 3.88Å; K154-F264 HydrophobicContact CB-CZ 3.81Å; K154-F264 HydrophobicContact CG-CE2 3.91Å; K154-F264 HydrophobicContact CG-CZ 4.36Å
155S30.4Very low29.8Very low6 Ų678.6 Ų78.64%0.04242%0.42CS..  trans36.5121.8168.346.30000118.5K66 L153 N157 Q272K66-S155 WeakPolarHBondContact CE-O 3.19Å; K66-S155 PolarHBondContact NZ-O 2.77Å; K66-S155 PolarHBondContact NZ-OG 3.27Å; L153-S155 PolarHBondContact O-N 3.11Å; S155-N157 PolarHBondContact O-N 2.87Å; S155-Q272 PolarHBondContact OG-NE2 3.15Å; S155-Q272 PolarHBondContact OG-OE1 2.84Å
156V29.4Very low28.8Very low36 Ų3682.8 Ų82.822%0.21845%0.45CS..  trans-60.3115.8144.5-168.90000105.8F158 V201V156-F158 HydrophobicContact CB-CE1 3.84Å; V156-F158 HydrophobicContact CB-CE2 4.36Å; V156-F158 HydrophobicContact CB-CZ 3.72Å; V156-F158 HydrophobicContact CG1-CD1 4.02Å; V156-F158 HydrophobicContact CG1-CE1 3.32Å; V156-F158 HydrophobicContact CG1-CZ 3.73Å; V156-F158 PolarHBondContact O-N 3.35Å; V156-V201 HydrophobicContact CG1-CG2 4.42Å; V156-V201 HydrophobicContact CG2-CG2 4.19Å
157N25.8Very low27.8Very low64 Ų6488.6 Ų88.634%0.34248%0.482SS..  trans-91.885.4-164-172.446.1000110.2S155 Q159 Q272S155-N157 PolarHBondContact O-N 2.87Å; N157-Q159 VanDerWaalsContact C-N 3.27Å; N157-Q159 PolarHBondContact ND2-OE1 3.39Å; N157-Q159 PolarHBondContact O-N 3.23Å; N157-Q272 PolarHBondContact OD1-NE2 2.87Å
158F30Very low26.9Very low34 Ų3487.3 Ų87.315%0.14949%0.491CS..  trans-73.179.9177.8-48.1-52.9000110.1V156 F190 Y199 V201 S271V156-F158 HydrophobicContact CB-CE1 3.84Å; V156-F158 HydrophobicContact CB-CE2 4.36Å; V156-F158 HydrophobicContact CB-CZ 3.72Å; V156-F158 HydrophobicContact CG1-CD1 4.02Å; V156-F158 HydrophobicContact CG1-CE1 3.32Å; V156-F158 HydrophobicContact CG1-CZ 3.73Å; V156-F158 PolarHBondContact O-N 3.35Å; F158-F190 AromaticContact CD1-CD1 3.8Å; F158-F190 HydrophobicContact CD1-CD1 3.8Å; F158-F190 AromaticContact CD1-CD2 3.47Å; F158-F190 HydrophobicContact CD1-CD2 3.47Å; F158-F190 VanDerWaalsContact CD1-CD2 3.47Å; F158-F190 AromaticContact CD1-CE1 3.85Å; F158-F190 HydrophobicContact CD1-CE1 3.85Å; F158-F190 AromaticContact CD1-CE2 3.53Å; F158-F190 HydrophobicContact CD1-CE2 3.53Å; F158-F190 AromaticContact CD1-CG 3.63Å; F158-F190 HydrophobicContact CD1-CG 3.63Å; F158-F190 AromaticContact CD1-CZ 3.73Å; F158-F190 HydrophobicContact CD1-CZ 3.73Å; F158-F190 AromaticContact CE1-CD1 3.61Å; F158-F190 HydrophobicContact CE1-CD1 3.61Å; F158-F190 HydrophobicContact CE1-CD2 4.1Å; F158-F190 AromaticContact CE1-CE1 3.43Å; F158-F190 HydrophobicContact CE1-CE1 3.43Å; F158-F190 VanDerWaalsContact CE1-CE1 3.43Å; F158-F190 AromaticContact CE1-CE2 3.95Å; F158-F190 HydrophobicContact CE1-CE2 3.95Å; F158-F190 AromaticContact CE1-CG 3.96Å; F158-F190 HydrophobicContact CE1-CG 3.96Å; F158-F190 AromaticContact CE1-CZ 3.62Å; F158-F190 HydrophobicContact CE1-CZ 3.62Å; F158-F190 HydrophobicContact CG-CD2 4.37Å; F158-F190 HydrophobicContact CG-CG 4.46Å; F158-Y199 AromaticContact CD2-CD1 4Å; F158-Y199 HydrophobicContact CD2-CD1 4Å; F158-Y199 AromaticContact CE2-CD1 3.83Å; F158-Y199 HydrophobicContact CE2-CD1 3.83Å; F158-V201 HydrophobicContact CZ-CG2 4.28Å; F158-S271 VanDerWaalsContact CD2-O 3.27Å; F158-S271 WeakPolarHBondContact CD2-O 3.18Å; F158-S271 WeakPolarHBondContact O-CB 3.45Å; F158-S271 PolarHBondContact O-OG 2.76Å
159Q23.6Very low26.3Very low144 Ų14489 Ų8967%0.67351%0.512SS*.  trans-102132.1-175.3-164.2160.6-7.700111.4N157N157-Q159 VanDerWaalsContact C-N 3.27Å; N157-Q159 PolarHBondContact ND2-OE1 3.39Å; N157-Q159 PolarHBondContact O-N 3.23Å
160S25.2Very low25.7Very low78 Ų7893.4 Ų93.455%0.54552%0.524SS..  trans62.5110.1178.553.80000118.2S162S160-S162 PolarHBondContact O-N 2.86Å
161D22.4Very low25.1Very low167 Ų16798 Ų9889%0.89356%0.556SS**SBendtrans-69.221.8160.4-60.8-79000113.5
162S21.9Very low24.6Very low94 Ų94100.6 Ų100.666%0.65758%0.575SS**  trans-155.4112.417746.60000111.1S160S160-S162 PolarHBondContact O-N 2.86Å
163V21.9Very low24.3Very low106 Ų106109.2 Ų109.264%0.64262%0.615SS**  trans-109.4105.4163.8177.90000106.5
164K19Very low23.8Very low189 Ų189117 Ų11782%0.82265%0.651SS**  trans-66.2138.4162.1-77.2-171.9174.5-175.10108
165L20.7Very low23.7Very low170 Ų170116.3 Ų116.389%0.8966%0.659SS**  trans-66.6130.2156-123.472.8000107.4
166S20Very low23.3Very low97 Ų97124.6 Ų124.668%0.67870%0.697SS**  trans-145.480.2167.662.20000108.5
167D20.3Very low23.1Very low154 Ų154132.1 Ų132.182%0.82473%0.73SS**  trans54.3123.6144.6-45.8-40.5000120.1
168C20.6Very low22.9Very low128 Ų128133.7 Ų133.787%0.86575%0.746SS**  trans-83.3130163-63.60000109.6
169A22.6Very low22.6Very low101 Ų101139.3 Ų139.384%0.83578%0.775SS**  trans-104.2126.1162.100000109.6
170H22.4Very low22.7Very low185 Ų185142.4 Ų142.486%0.85679%0.789SS**  trans-75.7156.2159.2-63.4-92.1000108
171S20.4Very low22.8Very low112 Ų112144.9 Ų144.978%0.78379%0.79SS**  cis-156.6-158.630.558.20000108.9
172S23.4Very low23.1Very low98 Ų98142.3 Ų142.369%0.68578%0.784SS**  cis-153.8-55.6740.40000114
173E23.7Very low23.2Very low186 Ų186144.1 Ų144.187%0.86979%0.786SS**  trans-74147.9-156.9-76.7166.2-168.100116.8
174Q23.3Very low23.7Very low181 Ų181147 Ų14785%0.84679%0.79SS**  trans-128.1171.1174.1-97.9-163-12.600107.9
175P31.1Very low24.3Very low112 Ų112141.3 Ų141.373%0.72777%0.773SS**  cis-102.5-142.213.3168.4000111.8
176E22.8Very low24.7Very low180 Ų180137 Ų13784%0.84175%0.753SS**  cis-144-175.712.9-67178.7129.500112.4S178E176-S178 PolarHBondContact O-N 3.39Å
177E23.2Very low25.3Very low195 Ų195137.2 Ų137.291%0.91175%0.746SS**  trans-57.3114.7-177.7-56.1-179.4137.900114
178S22.7Very low25.7Very low96 Ų96139 Ų13967%0.67174%0.741SS**  trans174143.4143.344.30000114.4E176E176-S178 PolarHBondContact O-N 3.39Å
179M23.3Very low26.1Very low153 Ų153139.1 Ų139.175%0.75473%0.733SS**  trans49.993.7162.5-60.7-178.575.200116.7K181M179-K181 WeakPolarHBondContact O-CD 3.49Å; M179-K181 PolarHBondContact O-N 3.4Å
180E26.7Very low26.6Very low208 Ų208137.6 Ų137.697%0.97271%0.708SS**  trans-6597.6161.1-73.7-147.6117.400110.7
181K25.9Very low26.9Very low131 Ų131139.3 Ų139.357%0.5771%0.707SS**  trans-70.9128.3178.9-63.4118-177.1155.30110.3M179 N183M179-K181 WeakPolarHBondContact O-CD 3.49Å; M179-K181 PolarHBondContact O-N 3.4Å; K181-N183 HydrophobicContact CB-CB 4.25Å; K181-N183 PolarHBondContact O-N 3.17Å
182C28.4Very low27.5Very low112 Ų112137.5 Ų137.576%0.75769%0.693SS**  trans-6877.3166.2178.80000110.9
183N25.7Very low28.1Very low133 Ų133137.6 Ų137.671%0.71169%0.685SS**  trans-101.415.1-164.7-1043.2000114.7K181K181-N183 HydrophobicContact CB-CB 4.25Å; K181-N183 PolarHBondContact O-N 3.17Å
184K31.7Very low28.7Very low167 Ų167131.6 Ų131.673%0.72666%0.659SS**  trans-134.344.4-169.3-66.1-174.2179.8174.30115.7V186 S206K184-V186 PolarHBondContact O-N 3.15Å; K184-S206 PolarHBondContact O-OG 2.77Å
185C30.7Very low29.4Very low69 Ų69127.8 Ų127.847%0.46665%0.65SS.*  trans-78.8100.7157.8-720000109.3
186V30.8Very low29.8Very low78 Ų78123 Ų12347%0.47362%0.619SS.*  trans-100.294.9-178.4-170.70000109.9K184 R188K184-V186 PolarHBondContact O-N 3.15Å; V186-R188 HydrophobicContact CG1-CG 3.94Å; V186-R188 PolarHBondContact O-N 2.87Å
187I32Very low31Very low103 Ų103114.7 Ų114.753%0.52858%0.581SS.*  trans-65.3119.9169.9-55.9169.1000107.7L63 F190L63-I187 HydrophobicContact CD2-CD1 3.6Å; L63-I187 HydrophobicContact CD2-CG1 4.13Å; I187-F190 HydrophobicContact CG2-CE2 4Å; I187-F190 HydrophobicContact CG2-CZ 3.81Å
188R29Very low32.2Very low190 Ų190109.2 Ų109.272%0.71755%0.552SS**  trans-114.7126.8179.4-74.5-172.2167.8168.3-3.6112.2V186V186-R188 HydrophobicContact CG1-CG 3.94Å; V186-R188 PolarHBondContact O-N 2.87Å
189N28.8Very low33.6Very low131 Ų131105.8 Ų105.870%0.70152%0.524SS*.  trans27.5106.6158.2-60.84.5000117.9
190F32.3Very low34.8Very low69 Ų6999.7 Ų99.730%0.30349%0.494SS..  trans-74129.6165.6-54.1-84.7000109.6F158 I187 M200F158-F190 AromaticContact CD1-CD1 3.8Å; F158-F190 HydrophobicContact CD1-CD1 3.8Å; F158-F190 AromaticContact CD1-CD2 3.47Å; F158-F190 HydrophobicContact CD1-CD2 3.47Å; F158-F190 VanDerWaalsContact CD1-CD2 3.47Å; F158-F190 AromaticContact CD1-CE1 3.85Å; F158-F190 HydrophobicContact CD1-CE1 3.85Å; F158-F190 AromaticContact CD1-CE2 3.53Å; F158-F190 HydrophobicContact CD1-CE2 3.53Å; F158-F190 AromaticContact CD1-CG 3.63Å; F158-F190 HydrophobicContact CD1-CG 3.63Å; F158-F190 AromaticContact CD1-CZ 3.73Å; F158-F190 HydrophobicContact CD1-CZ 3.73Å; F158-F190 AromaticContact CE1-CD1 3.61Å; F158-F190 HydrophobicContact CE1-CD1 3.61Å; F158-F190 HydrophobicContact CE1-CD2 4.1Å; F158-F190 AromaticContact CE1-CE1 3.43Å; F158-F190 HydrophobicContact CE1-CE1 3.43Å; F158-F190 VanDerWaalsContact CE1-CE1 3.43Å; F158-F190 AromaticContact CE1-CE2 3.95Å; F158-F190 HydrophobicContact CE1-CE2 3.95Å; F158-F190 AromaticContact CE1-CG 3.96Å; F158-F190 HydrophobicContact CE1-CG 3.96Å; F158-F190 AromaticContact CE1-CZ 3.62Å; F158-F190 HydrophobicContact CE1-CZ 3.62Å; F158-F190 HydrophobicContact CG-CD2 4.37Å; F158-F190 HydrophobicContact CG-CG 4.46Å; I187-F190 HydrophobicContact CG2-CE2 4Å; I187-F190 HydrophobicContact CG2-CZ 3.81Å; F190-M200 WeakPolarHBondContact CD1-O 3.3Å
191R29.5Very low35.6Very low221 Ų22190.4 Ų90.483%0.83445%0.452SS*.  trans-122.4131.1160.6-84.2-170.6172.2-173.8-1.3108.6L193R191-L193 PolarHBondContact O-N 3.44Å; R191-L193 VanDerWaalsContact O-N 3.13Å
192P33.6Very low36.4Very low75 Ų7585.4 Ų85.449%0.48744%0.437SS..  trans-66.9111.2167.828.4-32000108.5N194P192-N194 WeakPolarHBondContact CB-O 3.5Å; P192-N194 PolarHBondContact O-N 2.84Å
193L35.7Very low36.9Very low99 Ų9981.1 Ų81.152%0.51841%0.406SS..SBendtrans-65.9-15.7175.8-83.7158.3000112.5L33 R191 M200 L309L33-L193 HydrophobicContact CD1-CD1 3.62Å; R191-L193 PolarHBondContact O-N 3.44Å; R191-L193 VanDerWaalsContact O-N 3.13Å; L193-M200 HydrophobicContact CD1-CE 3.98Å; L193-L309 HydrophobicContact CB-CD1 3.85Å; L193-L309 HydrophobicContact CB-CD2 3.82Å; L193-L309 HydrophobicContact CB-CG 4.4Å; L193-L309 HydrophobicContact CD1-CD1 3.73Å; L193-L309 HydrophobicContact CG-CD1 4.42Å
194N36.2Very low37.3Very low60 Ų6076.7 Ų76.732%0.32138%0.384SS..SBendtrans-141.6136.6166.5178.2-33.1000107.5P192 C196 S197 L309P192-N194 WeakPolarHBondContact CB-O 3.5Å; P192-N194 PolarHBondContact O-N 2.84Å; N194-C196 PolarHBondContact O-N 3.37Å; N194-C196 PolarHBondContact OD1-N 3.2Å; N194-C196 VanDerWaalsContact OD1-N 3.17Å; N194-S197 PolarHBondContact N-OG 3.05Å; N194-S197 PolarHBondContact O-N 3.44Å; N194-S197 PolarHBondContact O-OG 3.17Å; N194-L309 HydrophobicContact CB-CD2 4.01Å
195P36.6Very low37.4Very low102 Ų10271 Ų7166%0.66237%0.365SS*.THydrogen-bonded Turntrans-54.4-21-178.319.1-32.9000115.3
196C39.5Very low37.6Very low11 Ų1170.8 Ų70.87%0.07436%0.364CS..THydrogen-bonded Turntrans-86.2-19.5174.9-58.60000114.5N194 R198 C306N194-C196 PolarHBondContact O-N 3.37Å; N194-C196 PolarHBondContact OD1-N 3.2Å; N194-C196 VanDerWaalsContact OD1-N 3.17Å; C196-R198 PolarHBondContact O-N 2.99Å; C196-C306 HydrophobicContact CB-CB 3.79Å; C196-C306 PolarHBondContact O-N 3.16Å
197S48.2Very low37.7Very low6 Ų675 Ų754%0.04238%0.379CS..  trans-94.269.6-177.267.40000111.2N194 Y199 G308N194-S197 PolarHBondContact N-OG 3.05Å; N194-S197 PolarHBondContact O-N 3.44Å; N194-S197 PolarHBondContact O-OG 3.17Å; S197-Y199 PolarHBondContact O-N 2.89Å; S197-G308 WeakPolarHBondContact CB-O 3.17Å
198R49.5Very low37.7Very low79 Ų7975.4 Ų75.430%0.29839%0.39SS..THydrogen-bonded Turntrans-75.7-12.6-164.6-58.6-176.7-160142.87.1116.5C196 P302 I304C196-R198 PolarHBondContact O-N 2.99Å; R198-P302 PolarHBondContact NH1-O 3.45Å; R198-I304 PolarHBondContact NH1-O 3.17Å; R198-I304 PolarHBondContact NH2-O 3.46Å
199Y51.5Low37.6Very low24 Ų2469 Ų699%0.09438%0.383CS..THydrogen-bonded Turntrans-139.229-158.9-53.7-66.9000117F158 S197 N270 I273 V305F158-Y199 AromaticContact CD2-CD1 4Å; F158-Y199 HydrophobicContact CD2-CD1 4Å; F158-Y199 AromaticContact CE2-CD1 3.83Å; F158-Y199 HydrophobicContact CE2-CD1 3.83Å; S197-Y199 PolarHBondContact O-N 2.89Å; Y199-N270 WeakPolarHBondContact CE1-O 3.16Å; Y199-N270 PolarHBondContact OH-O 2.96Å; Y199-I273 HydrophobicContact CD1-CB 4.3Å; Y199-I273 HydrophobicContact CD1-CG2 4.5Å; Y199-I273 HydrophobicContact CD2-CB 4.33Å; Y199-I273 HydrophobicContact CD2-CD1 3.33Å; Y199-I273 HydrophobicContact CD2-CG1 4.39Å; Y199-I273 HydrophobicContact CE1-CB 4.47Å; Y199-I273 HydrophobicContact CE2-CB 4.5Å; Y199-I273 HydrophobicContact CE2-CD1 3.67Å; Y199-I273 HydrophobicContact CG-CB 4.23Å; Y199-I273 HydrophobicContact CG-CD1 3.92Å; Y199-I273 HydrophobicContact CG-CG2 4.34Å; Y199-V305 HydrophobicContact CD2-CG1 3.82Å; Y199-V305 HydrophobicContact CD2-CG2 4.18Å; Y199-V305 HydrophobicContact CE2-CG1 4.24Å; Y199-V305 HydrophobicContact CE2-CG2 3.78Å
200M48.2Very low37.4Very low26 Ų2668.3 Ų68.313%0.12838%0.384CS..  trans-72.2142.9173.4-59.6-158.7-50.600112.2F190 L193 C234 L309F190-M200 WeakPolarHBondContact CD1-O 3.3Å; L193-M200 HydrophobicContact CD1-CE 3.98Å; M200-C234 HydrophobicContact CE-CB 4.02Å; M200-C234 HydrophobicContact SD-CB 4.37Å; M200-L309 HydrophobicContact CE-CD1 3.65Å; M200-L309 HydrophobicContact CE-CG 4.11Å; M200-L309 HydrophobicContact SD-CD1 4.14Å; M200-L309 HydrophobicContact SD-CG 4.07Å
201V44.9Very low37.1Very low13 Ų1374 Ų748%0.07941%0.409CS..EExtended strand (participates in β ladder)trans-99.9114.3174.7-179.20000109.8L63 V156 F158 C234 I235L63-V201 HydrophobicContact CD1-CG1 3.66Å; V156-V201 HydrophobicContact CG1-CG2 4.42Å; V156-V201 HydrophobicContact CG2-CG2 4.19Å; F158-V201 HydrophobicContact CZ-CG2 4.28Å; V201-C234 WeakPolarHBondContact O-CA 3.43Å; V201-I235 PolarHBondContact N-O 3.26Å; V201-I235 PolarHBondContact O-N 2.55Å
202G41.2Very low36.8Very low25 Ų2574.2 Ų74.226%0.25841%0.409SS..EExtended strand (participates in β ladder)trans-90.4129.217400000112.5C233G202-C233 CarbonylContact C-O 3.56Å; G202-C233 WeakPolarHBondContact CA-O 3.37Å
203L38.9Very low36.4Very low22 Ų2273.5 Ų73.512%0.11541%0.406CS..EExtended strand (participates in β ladder)trans-109124.6174-77.4176.2000111I56 F59 L63 I232 C233I56-L203 HydrophobicContact CG2-CD1 3.97Å; F59-L203 HydrophobicContact CB-CD1 4.11Å; F59-L203 HydrophobicContact CB-CD2 3.78Å; F59-L203 HydrophobicContact CG-CD2 4.39Å; L63-L203 HydrophobicContact CD1-CD2 3.54Å; L63-L203 HydrophobicContact CD1-CG 4.33Å; L63-L203 HydrophobicContact CG-CD2 4.3Å; L203-I232 WeakPolarHBondContact O-CA 3.41Å; L203-C233 HydrophobicContact CB-CB 4.34Å; L203-C233 PolarHBondContact N-O 2.92Å; L203-C233 PolarHBondContact O-N 3.4Å
204T35.1Very low35.8Very low40 Ų4078.5 Ų78.525%0.24542%0.424CS..  trans-117.1121.1171.749.10000110.3I232T204-I232 HydrophobicContact CG2-CD1 4.48Å; T204-I232 HydrophobicContact CG2-CG1 3.86Å
205C33Very low35.3Very low47 Ų4784.5 Ų84.532%0.31844%0.442SS..  trans-80.7122.6171.1-173.20000110.5F59F59-C205 HydrophobicContact CE2-CB 4.19Å; F59-C205 HydrophobicContact CZ-CB 4.26Å
206S36Very low34.9Very low65 Ų6585 Ų8546%0.45544%0.443SS..SBendtrans-85.1-8.8177.449.80000114K184 C208 G209K184-S206 PolarHBondContact O-OG 2.77Å; S206-C208 VanDerWaalsContact C-N 3.28Å; S206-C208 PolarHBondContact O-N 3.14Å; S206-G209 PolarHBondContact O-N 2.67Å
207Q32.9Very low34.4Very low166 Ų16693.5 Ų93.578%0.77648%0.479SS*.G310 helixtrans-73.7-14.4-175.8-67.6178.5-64.200114.1G209Q207-G209 PolarHBondContact O-N 3.33Å
208C31.1Very low33.5Very low112 Ų112100.9 Ų100.976%0.75751%0.513SS*.G310 helixtrans-673.6168.2-48.10000113.5S206S206-C208 VanDerWaalsContact C-N 3.28Å; S206-C208 PolarHBondContact O-N 3.14Å
209G26.5Very low32.4Very low56 Ų56104.1 Ų104.158%0.57754%0.536SS*.G310 helixtrans-1143.7-156.800000118.1S206 Q207S206-G209 PolarHBondContact O-N 2.67Å; Q207-G209 PolarHBondContact O-N 3.33Å
210T25.3Very low31.3Very low117 Ų117107.8 Ų107.872%0.71857%0.565SS**  trans-154.485.6165.147.10000113.3R212T210-R212 HydrophobicContact CG2-CB 4.44Å; T210-R212 PolarHBondContact O-N 2.71Å; T210-R212 VanDerWaalsContact O-N 3.16Å
211F24.8Very low30.4Very low188 Ų188112.3 Ų112.383%0.82560%0.596SS**  trans-7779.7136.9-128.5-82.3000106.5S213F211-S213 PolarHBondContact O-N 3.18Å
212R23.9Very low29.7Very low226 Ų226116.4 Ų116.485%0.85362%0.623SS**  trans-76.375.7173.6-166.8-175.3-162.5-146.14.9107.4T210 K214T210-R212 HydrophobicContact CG2-CB 4.44Å; T210-R212 PolarHBondContact O-N 2.71Å; T210-R212 VanDerWaalsContact O-N 3.16Å; R212-K214 PolarHBondContact O-N 3.04Å
213S24.6Very low29.1Very low60 Ų60120.7 Ų120.742%0.4265%0.646SS.*  trans-49.9141.8170.649.80000108.9F211 W215F211-S213 PolarHBondContact O-N 3.18Å; S213-W215 PolarHBondContact O-N 3.06Å; S213-W215 PolarHBondContact OG-NE1 2.83Å; S213-W215 VanDerWaalsContact OG-NE1 3.09Å
214K24.2Very low28.5Very low203 Ų203126.1 Ų126.188%0.88368%0.676SS**  trans-70.384.7169.3-70.8177.2179.5174.60106.8R212 T216R212-K214 PolarHBondContact O-N 3.04Å; K214-T216 PolarHBondContact O-N 2.87Å
215W25.9Very low28Very low186 Ų186130.9 Ų130.971%0.70570%0.699SS**  trans-60.595.9162.6-74.573.6000106.4S213S213-W215 PolarHBondContact O-N 3.06Å; S213-W215 PolarHBondContact OG-NE1 2.83Å; S213-W215 VanDerWaalsContact OG-NE1 3.09Å
216T27.4Very low27.7Very low112 Ų112140 Ų14069%0.68773%0.729SS**  trans-54.2145.216438.90000108.1K214K214-T216 PolarHBondContact O-N 2.87Å
217K29.2Very low27.2Very low190 Ų190143.7 Ų143.783%0.82674%0.742SS**SBendtrans-57.9146.2168.1-66.1179.3178.8179.20107.9
218H29.2Very low27.2Very low162 Ų162141 Ų14175%0.7574%0.741SS**  trans71.489.3-167.8-45.4-83.1000112.4
219D26.1Very low27.3Very low147 Ų147141.4 Ų141.479%0.78673%0.73SS**  -168.4178.998-88.3-16.4000112.1
220S29.2Very low27.7Very low101 Ų101142.7 Ų142.771%0.70673%0.727SS**PPolyproline II helixtrans-64.7152.2-164.2-59.20000115.8
221P30.1Very low28.1Very low121 Ų121138.9 Ų138.979%0.78671%0.705SS**PPolyproline II helixtrans-72.6131.8177.229.9-34.5000112.1
222P28.5Very low28.8Very low98 Ų98132.9 Ų132.964%0.63668%0.681SS**PPolyproline II helixtrans-78.7151.517432.4-34.8000112
223P29Very low29.7Very low115 Ų115122.9 Ų122.975%0.74765%0.646SS**PPolyproline II helixtrans-81.3141.6-178.431.9-34.6000113.9
224N25.8Very low30.9Very low137 Ų137120.7 Ų120.773%0.73363%0.63SS**SBendtrans66.9128.1158.5-62.3-22.8000120.9
225N25.1Very low32.5Very low139 Ų139111.4 Ų111.474%0.74359%0.59SS**  trans5962.6143.3-64.5-11.8000120.3
226Y27.3Very low34.6Very low239 Ų239103.2 Ų103.294%0.93756%0.56SS**  trans-10279150.6-87.9-92.2000111.7
227I26.2Very low36.6Very low143 Ų14398.5 Ų98.573%0.73353%0.53SS*.  trans-76.9126.2166.1-63.4176.6000108.1K229I227-K229 PolarHBondContact O-N 3.35Å
228S32.2Very low38.8Very low108 Ų10889.7 Ų89.776%0.75549%0.492SS*.  trans-70.1102.5-175.737.40000112.5T230S228-T230 PolarHBondContact O-N 2.83Å
229K32.7Very low41.2Very low121 Ų12182.2 Ų82.253%0.52646%0.458SS..  trans-74.2106.1174.7-69.4176.4173.1-157.80110.9N35 I227N35-K229 HydrophobicContact CB-CB 4.19Å; N35-K229 HydrophobicContact CB-CD 3.96Å; N35-K229 HydrophobicContact CB-CG 4.19Å; N35-K229 WeakPolarHBondContact OD1-CD 3.33Å; N35-K229 WeakPolarHBondContact OD1-CE 3.27Å; N35-K229 PolarHBondContact OD1-NZ 3.13Å; I227-K229 PolarHBondContact O-N 3.35Å
230T34.3Very low43.4Very low84 Ų8475.2 Ų75.252%0.51542%0.421SS..  trans-101.9109.1171.754.90000110.5S228S228-T230 PolarHBondContact O-N 2.83Å
231S35.2Very low45.6Very low36 Ų3670.4 Ų70.425%0.25239%0.387SS..  trans-63.7141.8170-52.20000110.5D34D34-S231 WeakPolarHBondContact OD1-CB 3.5Å; D34-S231 PolarHBondContact OD1-OG 2.93Å
232I39.7Very low48.1Very low62 Ų6264.7 Ų64.732%0.31835%0.35SS..EExtended strand (participates in β ladder)trans-116.4118.4179-50.7-179.4000108.5L33 L203 T204L33-I232 PolarHBondContact N-O 3.42Å; L33-I232 PolarHBondContact O-N 3.08Å; L203-I232 WeakPolarHBondContact O-CA 3.41Å; T204-I232 HydrophobicContact CG2-CD1 4.48Å; T204-I232 HydrophobicContact CG2-CG1 3.86Å
233C41.4Very low50.5Low17 Ų1761.5 Ų61.512%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-87.9115.4169.8-177.90000109.2G202 L203G202-C233 CarbonylContact C-O 3.56Å; G202-C233 WeakPolarHBondContact CA-O 3.37Å; L203-C233 HydrophobicContact CB-CB 4.34Å; L203-C233 PolarHBondContact N-O 2.92Å; L203-C233 PolarHBondContact O-N 3.4Å
234C51Low52.7Low14 Ų1456.6 Ų56.610%0.09530%0.295CS..EExtended strand (participates in β ladder)trans-100.6120.8178.6-74.70000110.9M31 M200 V201M31-C234 HydrophobicContact CB-CB 4.31Å; M31-C234 PolarHBondContact N-O 3.17Å; M31-C234 VanDerWaalsContact N-O 3.13Å; M31-C234 PolarHBondContact O-N 3.38Å; M200-C234 HydrophobicContact CE-CB 4.02Å; M200-C234 HydrophobicContact SD-CB 4.37Å; V201-C234 WeakPolarHBondContact O-CA 3.43Å
235I56Low55.1Low8 Ų851.1 Ų51.14%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-119.7127.9177.1-57.2176.3000109.4I56 I115 V201I56-I235 HydrophobicContact CG2-CD1 4.28Å; I115-I235 HydrophobicContact CD1-CD1 4.3Å; I115-I235 HydrophobicContact CD1-CG2 4.45Å; V201-I235 PolarHBondContact N-O 3.26Å; V201-I235 PolarHBondContact O-N 2.55Å
236D70.5Confident57.7Low14 Ų1446.7 Ų46.78%0.07524%0.237CC..  trans-90.1102.4165.2-173.3-29.8000109.4L238 L239 A240 L307 G308D236-L238 VanDerWaalsContact C-N 3.28Å; D236-L238 PolarHBondContact O-N 2.98Å; D236-L238 WeakPolarHBondContact OD1-CA 3.34Å; D236-L238 WeakPolarHBondContact OD1-CB 3.38Å; D236-L238 PolarHBondContact OD1-N 3.19Å; D236-L239 HydrophobicContact CB-CB 3.84Å; D236-L239 PolarHBondContact O-N 2.97Å; D236-L239 PolarHBondContact OD1-N 3.18Å; D236-A240 PolarHBondContact O-N 2.93Å; D236-A240 VanDerWaalsContact O-N 3.15Å; D236-L307 WeakPolarHBondContact OD2-CA 3.49Å; D236-G308 PolarHBondContact OD2-N 2.58Å
237L70Confident60.4Low12 Ų1236 Ų366%0.06320%0.195CC..Hα-helixtrans-72-21.1-178.9-168.860.9000112.6L64 I115 F119 V241 L275L64-L237 HydrophobicContact CD2-CD2 4.18Å; I115-L237 HydrophobicContact CG2-CD1 3.92Å; F119-L237 HydrophobicContact CD2-CD2 4.32Å; L237-V241 VanDerWaalsContact O-CB 3.29Å; L237-V241 WeakPolarHBondContact O-CB 3.25Å; L237-V241 WeakPolarHBondContact O-CG2 3.17Å; L237-V241 PolarHBondContact O-N 3.03Å; L237-L275 HydrophobicContact CD2-CD1 3.72Å; L237-L275 HydrophobicContact CG-CD1 4.16Å; L237-L275 HydrophobicContact CG-CD2 4.48Å
238L75.9Confident63Low5 Ų535.8 Ų35.83%0.02619%0.191CC..Hα-helixtrans-77.7-40.8173.9179.361.4000111.1D236 V241 C242 L256 I273 L275 W280 L307D236-L238 VanDerWaalsContact C-N 3.28Å; D236-L238 PolarHBondContact O-N 2.98Å; D236-L238 WeakPolarHBondContact OD1-CA 3.34Å; D236-L238 WeakPolarHBondContact OD1-CB 3.38Å; D236-L238 PolarHBondContact OD1-N 3.19Å; L238-V241 PolarHBondContact O-N 3.39Å; L238-C242 VanDerWaalsContact CD1-SG 3.52Å; L238-C242 VanDerWaalsContact O-CB 3.26Å; L238-C242 WeakPolarHBondContact O-CB 3.34Å; L238-C242 PolarHBondContact O-N 2.94Å; L238-L256 HydrophobicContact CD2-CD1 4.18Å; L238-L256 HydrophobicContact CG-CD1 4.21Å; L238-I273 HydrophobicContact CD2-CD1 3.55Å; L238-I273 HydrophobicContact CD2-CG1 4.26Å; L238-L275 HydrophobicContact CB-CD2 4.02Å; L238-L275 HydrophobicContact CD1-CD2 4.32Å; L238-W280 HydrophobicContact CD2-CD2 4.31Å; L238-W280 HydrophobicContact CD2-CH2 4.46Å; L238-W280 HydrophobicContact CD2-CZ2 3.98Å; L238-L307 HydrophobicContact CB-CD2 4.29Å; L238-L307 HydrophobicContact CD2-CD2 4.01Å; L238-L307 HydrophobicContact CG-CD2 4Å
239L78.2Confident65.5Low6 Ų634.3 Ų34.33%0.03117%0.174CC..Hα-helixtrans-55.5-53.2171.5173.661.6000110.1V28 D236 V241 C242 K243 L250 P252 L307V28-L239 HydrophobicContact CG1-CD2 4.28Å; D236-L239 HydrophobicContact CB-CB 3.84Å; D236-L239 PolarHBondContact O-N 2.97Å; D236-L239 PolarHBondContact OD1-N 3.18Å; L239-V241 PolarHBondContact O-N 3.28Å; L239-C242 PolarHBondContact O-N 3.24Å; L239-K243 WeakPolarHBondContact O-CB 3.23Å; L239-K243 PolarHBondContact O-N 2.91Å; L239-L250 HydrophobicContact CD1-CB 4.41Å; L239-L250 HydrophobicContact CD1-CD2 3.96Å; L239-L250 HydrophobicContact CD1-CG 3.84Å; L239-P252 HydrophobicContact CD2-CG 3.93Å; L239-L307 HydrophobicContact CB-CB 4.33Å; L239-L307 HydrophobicContact CB-CD1 4.37Å; L239-L307 HydrophobicContact CB-CD2 4.41Å; L239-L307 HydrophobicContact CD1-CB 4.36Å; L239-L307 HydrophobicContact CD1-CD1 3.86Å
240A72.8Confident68Low0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-51.8-52177.100000112.7L112 D236 K243 A244L112-A240 HydrophobicContact CD1-CB 3.61Å; D236-A240 PolarHBondContact O-N 2.93Å; D236-A240 VanDerWaalsContact O-N 3.15Å; A240-K243 PolarHBondContact O-N 2.78Å; A240-A244 WeakPolarHBondContact O-CB 3.28Å; A240-A244 PolarHBondContact O-N 3.13Å; A240-A244 VanDerWaalsContact O-N 3.13Å
241V75.1Confident70.2Confident0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-70.4-37.4-176.71630000113.3F119 L237 L238 L239 W245 L275 P277F119-V241 HydrophobicContact CD1-CG2 4.38Å; F119-V241 HydrophobicContact CE1-CG2 4.2Å; L237-V241 VanDerWaalsContact O-CB 3.29Å; L237-V241 WeakPolarHBondContact O-CB 3.25Å; L237-V241 WeakPolarHBondContact O-CG2 3.17Å; L237-V241 PolarHBondContact O-N 3.03Å; L238-V241 PolarHBondContact O-N 3.39Å; L239-V241 PolarHBondContact O-N 3.28Å; V241-W245 HydrophobicContact CB-CZ3 4.24Å; V241-W245 HydrophobicContact CG1-CE3 3.89Å; V241-W245 HydrophobicContact CG1-CZ3 3.76Å; V241-W245 HydrophobicContact CG2-CZ3 4.06Å; V241-L275 WeakPolarHBondContact CG1-O 3.38Å; V241-P277 HydrophobicContact CG1-CB 4.27Å; V241-P277 HydrophobicContact CG1-CG 4.16Å
242C82.1Confident72Confident0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-74.7-32.2176.2-77.60000112.6L238 L239 R246 W247 L250 L256L238-C242 VanDerWaalsContact CD1-SG 3.52Å; L238-C242 VanDerWaalsContact O-CB 3.26Å; L238-C242 WeakPolarHBondContact O-CB 3.34Å; L238-C242 PolarHBondContact O-N 2.94Å; L239-C242 PolarHBondContact O-N 3.24Å; C242-R246 PolarHBondContact O-N 3.13Å; C242-W247 HydrophobicContact CB-CE3 4.05Å; C242-W247 HydrophobicContact CB-CZ3 4.16Å; C242-W247 PolarHBondContact O-N 2.9Å; C242-W247 VanDerWaalsContact O-N 3.15Å; C242-L250 HydrophobicContact CB-CD2 3.41Å; C242-L250 VanDerWaalsContact CB-CD2 3.41Å; C242-L256 HydrophobicContact CB-CD1 4.13Å
243K81Confident73.7Confident32 Ų3223.4 Ų23.414%0.13912%0.122CC..Hα-helixtrans-68.8-45.7177.5-161.9177.8-174.8179.50111.6V26 T27 V28 L239 A240 W245 W247 E248 L250V26-K243 HydrophobicContact CG1-CB 4.29Å; V26-K243 HydrophobicContact CG1-CD 3.63Å; V26-K243 HydrophobicContact CG1-CG 3.61Å; T27-K243 PolarHBondContact O-NZ 2.68Å; V28-K243 HydrophobicContact CG2-CD 4.16Å; L239-K243 WeakPolarHBondContact O-CB 3.23Å; L239-K243 PolarHBondContact O-N 2.91Å; A240-K243 PolarHBondContact O-N 2.78Å; K243-W245 PolarHBondContact O-N 2.75Å; K243-W247 WeakPolarHBondContact CA-O 3.37Å; K243-W247 WeakPolarHBondContact CG-O 3.44Å; K243-W247 CarbonylContact O-C 3.05Å; K243-E248 WeakPolarHBondContact CE-O 3.46Å; K243-L250 HydrophobicContact CB-CB 4.28Å; K243-L250 HydrophobicContact CB-CD2 4.46Å; K243-L250 WeakPolarHBondContact CD-O 3.2Å; K243-L250 WeakPolarHBondContact CE-O 3.21Å; K243-L250 HydrophobicContact CG-CB 4.19Å
244A73.7Confident75.7Confident11 Ų1124.2 Ų24.29%0.09113%0.125CC..Hα-helixtrans-64.5-30.1-177.600000115.8L112 I116 A240L112-A244 HydrophobicContact CD2-CB 4.1Å; I116-A244 HydrophobicContact CD1-CB 3.29Å; A240-A244 WeakPolarHBondContact O-CB 3.28Å; A240-A244 PolarHBondContact O-N 3.13Å; A240-A244 VanDerWaalsContact O-N 3.13Å
245W76.3Confident77.5Confident23 Ų2324.3 Ų24.39%0.08712%0.124CC..Hα-helixtrans-126.32-168.7-64.8-48.7000115.6I18 V22 I116 F119 V120 L131 L135 V241 K243 P277 Y278I18-W245 HydrophobicContact CG2-CH2 4.26Å; I18-W245 HydrophobicContact CG2-CZ2 3.61Å; V22-W245 HydrophobicContact CG2-CZ2 3.93Å; I116-W245 HydrophobicContact CG2-CH2 3.52Å; I116-W245 HydrophobicContact CG2-CZ2 3.52Å; F119-W245 HydrophobicContact CD1-CH2 4.33Å; F119-W245 HydrophobicContact CE1-CH2 4.4Å; F119-W245 HydrophobicContact CE1-CZ3 4.34Å; V120-W245 HydrophobicContact CG2-CH2 4.25Å; V120-W245 HydrophobicContact CG2-CZ2 4.41Å; L131-W245 HydrophobicContact CD2-CH2 4.25Å; L135-W245 HydrophobicContact CD1-CD2 4.3Å; L135-W245 HydrophobicContact CD1-CG 4.34Å; L135-W245 HydrophobicContact CD2-CB 3.72Å; L135-W245 HydrophobicContact CD2-CD2 4.26Å; L135-W245 HydrophobicContact CD2-CG 3.61Å; V241-W245 HydrophobicContact CB-CZ3 4.24Å; V241-W245 HydrophobicContact CG1-CE3 3.89Å; V241-W245 HydrophobicContact CG1-CZ3 3.76Å; V241-W245 HydrophobicContact CG2-CZ3 4.06Å; K243-W245 PolarHBondContact O-N 2.75Å; W245-P277 HydrophobicContact CB-CG 4.35Å; W245-P277 HydrophobicContact CE3-CG 4.31Å; W245-Y278 PolarHBondContact O-OH 2.95Å
246R79.3Confident79.1Confident45 Ų4524 Ų2417%0.1712%0.122CC..THydrogen-bonded Turntrans-146.6-40.7-179.3-70.5-163.968-174.2-5.3116.6C242 P277 Y278 W280C242-R246 PolarHBondContact O-N 3.13Å; R246-P277 WeakPolarHBondContact CD-O 3.14Å; R246-P277 HydrophobicContact CG-CB 4.08Å; R246-P277 PolarHBondContact NH1-O 3.4Å; R246-Y278 HydrophobicContact CG-CD1 4.31Å; R246-Y278 HydrophobicContact CG-CE1 3.82Å; R246-W280 PolarHBondContact NH1-O 3.36Å
247W84.4Confident79.9Confident14 Ų1423.6 Ų23.65%0.05312%0.119CC..  trans-141.583.8-171.2-60.4-63.3000109.5C242 K243 D249 L250 L256 W280 R282 G780 Y781C242-W247 HydrophobicContact CB-CE3 4.05Å; C242-W247 HydrophobicContact CB-CZ3 4.16Å; C242-W247 PolarHBondContact O-N 2.9Å; C242-W247 VanDerWaalsContact O-N 3.15Å; K243-W247 WeakPolarHBondContact CA-O 3.37Å; K243-W247 WeakPolarHBondContact CG-O 3.44Å; K243-W247 CarbonylContact O-C 3.05Å; W247-D249 PolarHBondContact O-N 3.31Å; W247-D249 VanDerWaalsContact O-N 3.11Å; W247-L250 HydrophobicContact CB-CB 3.87Å; W247-L250 HydrophobicContact CB-CD1 4.44Å; W247-L250 HydrophobicContact CE3-CD1 4.38Å; W247-L250 HydrophobicContact CE3-CD2 4.23Å; W247-L250 WeakPolarHBondContact O-CB 3.22Å; W247-L250 PolarHBondContact O-N 3.09Å; W247-L256 HydrophobicContact CE3-CD2 4.12Å; W247-L256 HydrophobicContact CH2-CD2 4.1Å; W247-L256 HydrophobicContact CZ3-CD1 4.23Å; W247-L256 HydrophobicContact CZ3-CD2 3.6Å; W247-W280 HydrophobicContact CH2-CB 4.42Å; W247-R282 HydrophobicContact CD2-CB 4.26Å; W247-R282 HydrophobicContact CH2-CB 4.14Å; W247-R282 HydrophobicContact CZ2-CB 3.75Å; W247-G780 WeakPolarHBondContact CZ2-O 3.17Å; W247-Y781 AromaticContact NE1-CE2 3.81Å
248E81Confident80.4Confident140 Ų14023.9 Ų23.965%0.65412%0.12SC*.THydrogen-bonded Turntrans-59.1-24.7-178.7-66.9166.8-159.100112.7K243 L250K243-E248 WeakPolarHBondContact CE-O 3.46Å; E248-L250 VanDerWaalsContact C-N 3.35Å
249D84.7Confident80.5Confident77 Ų7724.1 Ų24.141%0.41212%0.121SC..THydrogen-bonded Turntrans-85.60.9176.574.9-60.2000114.4W247 S251 R282W247-D249 PolarHBondContact O-N 3.31Å; W247-D249 VanDerWaalsContact O-N 3.11Å; D249-S251 PolarHBondContact O-N 3.38Å; D249-S251 PolarHBondContact O-OG 2.98Å; D249-R282 VanDerWaalsContact CG-NH1 3.26Å; D249-R282 PolarHBondContact O-NH2 2.69Å; D249-R282 IonicContact OD1-CZ 2.7Å; D249-R282 IonicContact OD1-NH1 3.96Å; D249-R282 PolarHBondContact OD1-NH1 2.89Å; D249-R282 VanDerWaalsContact OD1-NH1 3.13Å; D249-R282 IonicContact OD2-CZ 3.18Å; D249-R282 VanDerWaalsContact OD2-CZ 3.26Å; D249-R282 IonicContact OD2-NH1 3.26Å; D249-R282 PolarHBondContact OD2-NH1 3.28Å; D249-R282 IonicContact OD2-NH2 2.6Å; D249-R282 PolarHBondContact OD2-NH2 2.94Å
250L84.8Confident79.9Confident0 Ų024.2 Ų24.20%012%0.123CC..  trans-63.1127.1-178.7-167.971.2000111.1L239 C242 K243 W247 E248 D254 L256 R282 L307L239-L250 HydrophobicContact CD1-CB 4.41Å; L239-L250 HydrophobicContact CD1-CD2 3.96Å; L239-L250 HydrophobicContact CD1-CG 3.84Å; C242-L250 HydrophobicContact CB-CD2 3.41Å; C242-L250 VanDerWaalsContact CB-CD2 3.41Å; K243-L250 HydrophobicContact CB-CB 4.28Å; K243-L250 HydrophobicContact CB-CD2 4.46Å; K243-L250 WeakPolarHBondContact CD-O 3.2Å; K243-L250 WeakPolarHBondContact CE-O 3.21Å; K243-L250 HydrophobicContact CG-CB 4.19Å; W247-L250 HydrophobicContact CB-CB 3.87Å; W247-L250 HydrophobicContact CB-CD1 4.44Å; W247-L250 HydrophobicContact CE3-CD1 4.38Å; W247-L250 HydrophobicContact CE3-CD2 4.23Å; W247-L250 WeakPolarHBondContact O-CB 3.22Å; W247-L250 PolarHBondContact O-N 3.09Å; E248-L250 VanDerWaalsContact C-N 3.35Å; L250-D254 HydrophobicContact CD1-CB 3.86Å; L250-L256 HydrophobicContact CD1-CD2 4.16Å; L250-R282 HydrophobicContact CD1-CG 4.39Å; L250-L307 HydrophobicContact CD1-CD1 3.82Å; L250-L307 HydrophobicContact CD2-CD1 3.6Å; L250-L307 HydrophobicContact CG-CD1 3.7Å
251S80.2Confident79.1Confident39 Ų3927.1 Ų27.127%0.27314%0.142SC..  trans-121.9153.2-169.8-65.70000112D249 G253 D254D249-S251 PolarHBondContact O-N 3.38Å; D249-S251 PolarHBondContact O-OG 2.98Å; S251-G253 PolarHBondContact O-N 2.77Å; S251-D254 PolarHBondContact N-OD2 3.08Å; S251-D254 VanDerWaalsContact O-CB 3.28Å; S251-D254 WeakPolarHBondContact O-CB 3.27Å; S251-D254 PolarHBondContact O-N 3.47Å
252P73.3Confident78.3Confident31 Ų3127.5 Ų27.520%0.20115%0.145CC..THydrogen-bonded Turntrans-55134.2168.9-23.534000111.2L239 L309L239-P252 HydrophobicContact CD2-CG 3.93Å; P252-L309 VanDerWaalsContact CB-O 3.24Å; P252-L309 WeakPolarHBondContact CB-O 2.98Å
253G75.4Confident76.7Confident3 Ų331.5 Ų31.53%0.03116%0.163CC..THydrogen-bonded Turntrans86.70.3-172.200000115.9S251 Y255 L307S251-G253 PolarHBondContact O-N 2.77Å; G253-Y255 WeakPolarHBondContact O-CD2 3.28Å; G253-L307 PolarHBondContact N-O 2.93Å
254D84.5Confident74.9Confident34 Ų3431.5 Ų31.518%0.18216%0.163CC..  trans-72.4152.1164.1-81.3-28.3000111L250 S251 R282 L307L250-D254 HydrophobicContact CD1-CB 3.86Å; S251-D254 PolarHBondContact N-OD2 3.08Å; S251-D254 VanDerWaalsContact O-CB 3.28Å; S251-D254 WeakPolarHBondContact O-CB 3.27Å; S251-D254 PolarHBondContact O-N 3.47Å; D254-R282 IonicContact OD1-NH2 3.89Å; D254-R282 IonicContact OD2-CZ 2.67Å; D254-R282 IonicContact OD2-NE 3.44Å; D254-R282 PolarHBondContact OD2-NE 2.87Å; D254-R282 IonicContact OD2-NH2 3.96Å; D254-R282 PolarHBondContact OD2-NH2 3.37Å; D254-L307 HydrophobicContact CB-CD1 4.46Å; D254-L307 PolarHBondContact O-N 3.38Å
255Y88.3Confident73.5Confident17 Ų1732.9 Ų32.97%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-109.1133.6-178.7-71.2-105.1000111.1G253 V283 I285 C295 Y298 I304 V305 C306G253-Y255 WeakPolarHBondContact O-CD2 3.28Å; Y255-V283 WeakPolarHBondContact O-CB 3.44Å; Y255-V283 PolarHBondContact O-N 3.19Å; Y255-I285 HydrophobicContact CD2-CD1 4.04Å; Y255-C295 PolarHBondContact OH-SG 2.7Å; Y255-Y298 HydrophobicContact CD1-CD2 4.25Å; Y255-Y298 HydrophobicContact CE1-CD2 4.26Å; Y255-I304 HydrophobicContact CD1-CG2 3.77Å; Y255-V305 WeakPolarHBondContact CA-O 3.35Å; Y255-C306 HydrophobicContact CD1-CB 3.95Å; Y255-C306 HydrophobicContact CE1-CB 3.69Å; Y255-C306 HydrophobicContact CG-CB 4.48Å
256L89.1Confident71.9Confident0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-115141.3171.5-59.7-173.6000110.5L238 C242 W247 L250 W280 S281 R282 I304 V305 L307L238-L256 HydrophobicContact CD2-CD1 4.18Å; L238-L256 HydrophobicContact CG-CD1 4.21Å; C242-L256 HydrophobicContact CB-CD1 4.13Å; W247-L256 HydrophobicContact CE3-CD2 4.12Å; W247-L256 HydrophobicContact CH2-CD2 4.1Å; W247-L256 HydrophobicContact CZ3-CD1 4.23Å; W247-L256 HydrophobicContact CZ3-CD2 3.6Å; L250-L256 HydrophobicContact CD1-CD2 4.16Å; L256-W280 HydrophobicContact CB-CB 4.4Å; L256-W280 HydrophobicContact CB-CD2 4.3Å; L256-W280 HydrophobicContact CB-CE3 3.74Å; L256-W280 HydrophobicContact CB-CZ3 4.49Å; L256-W280 HydrophobicContact CD1-CB 4.19Å; L256-W280 HydrophobicContact CD1-CG 4.24Å; L256-S281 WeakPolarHBondContact CA-O 3.42Å; L256-R282 HydrophobicContact CD2-CB 3.98Å; L256-R282 HydrophobicContact CD2-CG 4.12Å; L256-I304 WeakPolarHBondContact O-CA 3.37Å; L256-V305 PolarHBondContact N-O 2.73Å; L256-V305 PolarHBondContact O-N 2.81Å; L256-L307 HydrophobicContact CD1-CD1 3.99Å; L256-L307 HydrophobicContact CD1-CD2 4.06Å; L256-L307 HydrophobicContact CD1-CG 4.39Å; L256-L307 HydrophobicContact CG-CD1 3.93Å; L256-L307 HydrophobicContact CG-CD2 4.34Å; L256-L307 HydrophobicContact CG-CG 4.24Å
257R87.5Confident70Confident7 Ų742.3 Ų42.33%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-113.5135.4172.5-167.5-176.6-172.6-61.6-11.6110.8W280 S281 V283 D301 D303 I304R257-W280 VanDerWaalsContact C-CE3 3.49Å; R257-W280 CarbonylContact O-C 3.53Å; R257-W280 WeakPolarHBondContact O-CA 3.47Å; R257-S281 PolarHBondContact N-O 2.96Å; R257-S281 PolarHBondContact O-N 3.17Å; R257-V283 HydrophobicContact CB-CG2 3.98Å; R257-D301 IonicContact CZ-OD1 3.81Å; R257-D301 IonicContact CZ-OD2 2.98Å; R257-D301 IonicContact NE-OD2 2.82Å; R257-D301 PolarHBondContact NE-OD2 2.77Å; R257-D301 VanDerWaalsContact NH2-CG 3.33Å; R257-D301 IonicContact NH2-OD1 2.77Å; R257-D301 PolarHBondContact NH2-OD1 2.95Å; R257-D301 IonicContact NH2-OD2 3.94Å; R257-D301 PolarHBondContact NH2-OD2 2.76Å; R257-D303 CarbonylContact C-O 3.55Å; R257-D303 WeakPolarHBondContact CA-O 3.49Å; R257-D303 HydrophobicContact CG-CB 4.33Å; R257-D303 IonicContact NH1-OD2 3.36Å; R257-I304 HydrophobicContact CB-CG1 3.97Å; R257-I304 HydrophobicContact CG-CD1 4.44Å; R257-I304 HydrophobicContact CG-CG1 3.72Å
258R81.5Confident67.9Low18 Ų1846 Ų467%0.06824%0.235CC..EExtended strand (participates in β ladder)trans-66.7143.3170.7-154.9-168.9-55.5-101.51.9110.5S265 W280 D303R258-S265 VanDerWaalsContact CZ-OG 3.3Å; R258-S265 PolarHBondContact NH1-OG 3.46Å; R258-W280 HydrophobicContact CB-CE3 4.33Å; R258-W280 HydrophobicContact CB-CH2 4.39Å; R258-W280 HydrophobicContact CB-CZ3 4.03Å; R258-D303 HydrophobicContact CB-CB 3.76Å; R258-D303 WeakPolarHBondContact CB-OD1 3.49Å; R258-D303 VanDerWaalsContact CD-OD1 3.26Å; R258-D303 WeakPolarHBondContact CD-OD1 3.48Å; R258-D303 IonicContact CZ-OD1 2.68Å; R258-D303 PolarHBondContact N-O 3.06Å; R258-D303 IonicContact NE-OD1 3.13Å; R258-D303 PolarHBondContact NE-OD1 3.01Å
259I76.8Confident66.2Low9 Ų944.1 Ų44.15%0.04623%0.233CC..  trans-127.3-3.8-176.854168.2000116Y142 H279 S281 K563 Q731Y142-I259 HydrophobicContact CE2-CD1 4.35Å; Y142-I259 WeakPolarHBondContact OH-CD1 3.46Å; I259-H279 WeakPolarHBondContact CG1-O 3.38Å; I259-H279 PolarHBondContact N-O 2.61Å; I259-S281 VanDerWaalsContact CG2-CB 3.43Å; I259-K563 PolarHBondContact O-NZ 3.19Å; I259-Q731 HydrophobicContact CD1-CG 4.5Å
260G65.4Low64.4Low9 Ų947.2 Ų47.29%0.09325%0.25CC..SBendtrans-140152.9-175.400000114.8M146 C262M146-G260 VanDerWaalsContact CE-CA 3.47Å; G260-C262 VanDerWaalsContact C-N 3.28Å; G260-C262 PolarHBondContact O-N 3.49Å
261P56.6Low62.6Low61 Ų6148.4 Ų48.440%0.39626%0.258SS..  trans-68.287.2169.130.6-34000109.5Q263 E266P261-Q263 PolarHBondContact O-N 2.9Å; P261-E266 WeakPolarHBondContact CB-OE1 3.38Å
262C58.1Low61.2Low7 Ų747.7 Ų47.75%0.04725%0.25CS..  trans-72.8118.7166.5-178.80000107.7G260 F264 S265 E266G260-C262 VanDerWaalsContact C-N 3.28Å; G260-C262 PolarHBondContact O-N 3.49Å; C262-F264 PolarHBondContact O-N 3.21Å; C262-S265 WeakPolarHBondContact O-CA 3.37Å; C262-S265 WeakPolarHBondContact O-CB 3.24Å; C262-S265 PolarHBondContact O-N 3.36Å; C262-E266 PolarHBondContact O-N 3.03Å
263Q48.3Very low60.7Low85 Ų8547.1 Ų47.140%0.39725%0.246SC..THydrogen-bonded Turntrans-56.5-19.3179.2-69.6-165.31200114.2P261P261-Q263 PolarHBondContact O-N 2.9Å
264F44.6Very low60.5Low31 Ų3147.3 Ų47.314%0.13625%0.246CC..THydrogen-bonded Turntrans-73.9-31.5173.1-157.2-101000112.5K154 C262 H268 Q272K154-F264 VanDerWaalsContact CA-CZ 3.48Å; K154-F264 HydrophobicContact CB-CE2 3.88Å; K154-F264 HydrophobicContact CB-CZ 3.81Å; K154-F264 HydrophobicContact CG-CE2 3.91Å; K154-F264 HydrophobicContact CG-CZ 4.36Å; C262-F264 PolarHBondContact O-N 3.21Å; F264-H268 AromaticContact CE2-CD2 3.89Å; F264-H268 AromaticContact CZ-CD2 3.81Å; F264-H268 PolarHBondContact O-CD2 3.33Å; F264-Q272 HydrophobicContact CE1-CB 4.18Å; F264-Q272 VanDerWaalsContact CZ-OE1 3.31Å
265S43.7Very low60Low41 Ų4146.1 Ų46.129%0.28724%0.24SC..THydrogen-bonded Turntrans-84.7-25.9177.9-154.20000113.2R258 C262 K267R258-S265 VanDerWaalsContact CZ-OG 3.3Å; R258-S265 PolarHBondContact NH1-OG 3.46Å; C262-S265 WeakPolarHBondContact O-CA 3.37Å; C262-S265 WeakPolarHBondContact O-CB 3.24Å; C262-S265 PolarHBondContact O-N 3.36Å; S265-K267 PolarHBondContact O-N 3.08Å
266E42.8Very low59.4Low112 Ų11245.3 Ų45.352%0.52324%0.237SC..SBendtrans-70.2-14.3175.7-67.2178.7143.300113.2P261 C262P261-E266 WeakPolarHBondContact CB-OE1 3.38Å; C262-E266 PolarHBondContact O-N 3.03Å
267K39.4Very low58.8Low153 Ų15345.3 Ų45.367%0.66524%0.237SC*.SBendtrans-121.3-7.1-170-66.5-176.5178.7178.40115S265S265-K267 PolarHBondContact O-N 3.08Å
268H40.8Very low58.3Low91 Ų9146.4 Ų46.442%0.42124%0.241SC..SBendtrans-133.7151.5-172.5-64-39.8000111.9F264 Q272F264-H268 AromaticContact CE2-CD2 3.89Å; F264-H268 AromaticContact CZ-CD2 3.81Å; F264-H268 PolarHBondContact O-CD2 3.33Å; H268-Q272 HydrophobicContact CB-CB 4.28Å; H268-Q272 HydrophobicContact CB-CG 4.3Å; H268-Q272 PolarHBondContact CD2-OE1 3.26Å
269T43.9Very low58.3Low102 Ų10245.8 Ų45.863%0.62624%0.239SC*.  trans-73.3171.2-174.8470000112.6S271 Q272T269-S271 PolarHBondContact O-N 3.28Å; T269-Q272 PolarHBondContact O-N 3.34Å
270N48Very low58.7Low142 Ų14245.4 Ų45.476%0.75924%0.237SC*.THydrogen-bonded Turntrans-52.4-13.4-171.8-63.6-6000116.4Y199 Q272Y199-N270 WeakPolarHBondContact CE1-O 3.16Å; Y199-N270 PolarHBondContact OH-O 2.96Å; N270-Q272 VanDerWaalsContact C-N 3.31Å; N270-Q272 PolarHBondContact O-N 3.36Å
271S46.5Very low59.8Low25 Ų2545 Ų4518%0.17523%0.233CC..THydrogen-bonded Turntrans-77.8-3.9178.653.70000115.2F158 T269F158-S271 VanDerWaalsContact CD2-O 3.27Å; F158-S271 WeakPolarHBondContact CD2-O 3.18Å; F158-S271 WeakPolarHBondContact O-CB 3.45Å; F158-S271 PolarHBondContact O-OG 2.76Å; T269-S271 PolarHBondContact O-N 3.28Å
272Q50.2Low61.5Low23 Ų2343.1 Ų43.111%0.10722%0.218CC..  trans-118.4109.5-171.3-60-158.911.900113.2S155 N157 F264 H268 T269 N270S155-Q272 PolarHBondContact OG-NE2 3.15Å; S155-Q272 PolarHBondContact OG-OE1 2.84Å; N157-Q272 PolarHBondContact OD1-NE2 2.87Å; F264-Q272 HydrophobicContact CE1-CB 4.18Å; F264-Q272 VanDerWaalsContact CZ-OE1 3.31Å; H268-Q272 HydrophobicContact CB-CB 4.28Å; H268-Q272 HydrophobicContact CB-CG 4.3Å; H268-Q272 PolarHBondContact CD2-OE1 3.26Å; T269-Q272 PolarHBondContact O-N 3.34Å; N270-Q272 VanDerWaalsContact C-N 3.31Å; N270-Q272 PolarHBondContact O-N 3.36Å
273I64.4Low63.1Low20 Ų2043.1 Ų43.110%0.10322%0.218CC..  trans-94146.8179.9-163.3153.3000113Y199 L238 L275 W280 V305Y199-I273 HydrophobicContact CD1-CB 4.3Å; Y199-I273 HydrophobicContact CD1-CG2 4.5Å; Y199-I273 HydrophobicContact CD2-CB 4.33Å; Y199-I273 HydrophobicContact CD2-CD1 3.33Å; Y199-I273 HydrophobicContact CD2-CG1 4.39Å; Y199-I273 HydrophobicContact CE1-CB 4.47Å; Y199-I273 HydrophobicContact CE2-CB 4.5Å; Y199-I273 HydrophobicContact CE2-CD1 3.67Å; Y199-I273 HydrophobicContact CG-CB 4.23Å; Y199-I273 HydrophobicContact CG-CD1 3.92Å; Y199-I273 HydrophobicContact CG-CG2 4.34Å; L238-I273 HydrophobicContact CD2-CD1 3.55Å; L238-I273 HydrophobicContact CD2-CG1 4.26Å; I273-L275 HydrophobicContact CG2-CD2 4.43Å; I273-W280 HydrophobicContact CD1-CH2 3.86Å; I273-W280 HydrophobicContact CD1-CZ2 3.76Å; I273-W280 HydrophobicContact CG1-CH2 4.01Å; I273-W280 HydrophobicContact CG1-CZ2 3.53Å; I273-V305 HydrophobicContact CD1-CG1 4.25Å; I273-V305 HydrophobicContact CD1-CG2 3.98Å
274C71.1Confident65.1Low6 Ų640.4 Ų40.44%0.04121%0.205CC..  trans-92.5124.8175.4-175.50000110.5H279 W280C274-H279 PolarHBondContact SG-ND1 2.8Å; C274-W280 PolarHBondContact O-NE1 3.47Å
275L74Confident66.9Low10 Ų1041.4 Ų41.45%0.05221%0.212CC..  trans-93.114.1179.6-61.5172.4000113.8F119 L153 L237 L238 V241 I273 P277F119-L275 HydrophobicContact CE2-CB 4.43Å; F119-L275 HydrophobicContact CE2-CD1 3.81Å; F119-L275 HydrophobicContact CZ-CB 4.21Å; F119-L275 HydrophobicContact CZ-CD1 4.42Å; L153-L275 HydrophobicContact CD2-CD1 4.41Å; L237-L275 HydrophobicContact CD2-CD1 3.72Å; L237-L275 HydrophobicContact CG-CD1 4.16Å; L237-L275 HydrophobicContact CG-CD2 4.48Å; L238-L275 HydrophobicContact CB-CD2 4.02Å; L238-L275 HydrophobicContact CD1-CD2 4.32Å; V241-L275 WeakPolarHBondContact CG1-O 3.38Å; I273-L275 HydrophobicContact CG2-CD2 4.43Å; L275-P277 WeakPolarHBondContact O-CD 3.39Å
276N74.1Confident68.2Low0 Ų040.5 Ų40.50%020%0.203CC..  trans-79.4113.2168.7178.73.5000108.8F152 Y278 H279 W280F152-N276 HydrophobicContact CD1-CB 4.04Å; F152-N276 HydrophobicContact CD2-CB 4.03Å; F152-N276 HydrophobicContact CE1-CB 3.98Å; F152-N276 HydrophobicContact CE2-CB 3.97Å; F152-N276 HydrophobicContact CG-CB 4.05Å; F152-N276 HydrophobicContact CZ-CB 3.93Å; N276-Y278 PolarHBondContact O-N 2.95Å; N276-Y278 VanDerWaalsContact O-N 3.08Å; N276-Y278 PolarHBondContact OD1-N 2.77Å; N276-Y278 VanDerWaalsContact OD1-N 3.09Å; N276-H279 PolarHBondContact ND2-CD2 2.92Å; N276-H279 PolarHBondContact ND2-CE1 3.24Å; N276-H279 VanDerWaalsContact ND2-CE1 3.33Å; N276-H279 PolarHBondContact ND2-NE2 3.34Å; N276-H279 PolarHBondContact O-N 3.08Å; N276-W280 VanDerWaalsContact O-CD1 3.29Å
277P78.1Confident69.1Low0 Ų037.8 Ų37.80%019%0.192CC..G310 helixtrans-63.7-20.6-17629.3-36.9000112.3V241 W245 R246 L275 W280V241-P277 HydrophobicContact CG1-CB 4.27Å; V241-P277 HydrophobicContact CG1-CG 4.16Å; W245-P277 HydrophobicContact CB-CG 4.35Å; W245-P277 HydrophobicContact CE3-CG 4.31Å; R246-P277 WeakPolarHBondContact CD-O 3.14Å; R246-P277 HydrophobicContact CG-CB 4.08Å; R246-P277 PolarHBondContact NH1-O 3.4Å; L275-P277 WeakPolarHBondContact O-CD 3.39Å; P277-W280 PolarHBondContact O-N 3.22Å
278Y77Confident69.6Low29 Ų2940 Ų4011%0.11420%0.201CC..G310 helixtrans-80.2-8.6176.2-60.9-70.9000114.8A134 L135 Y142 W245 R246 N276 W280A134-Y278 HydrophobicContact CB-CD2 3.89Å; A134-Y278 HydrophobicContact CB-CE2 4.05Å; L135-Y278 HydrophobicContact CD2-CE2 3.93Å; Y142-Y278 WeakPolarHBondContact CE2-O 3.26Å; W245-Y278 PolarHBondContact O-OH 2.95Å; R246-Y278 HydrophobicContact CG-CD1 4.31Å; R246-Y278 HydrophobicContact CG-CE1 3.82Å; N276-Y278 PolarHBondContact O-N 2.95Å; N276-Y278 VanDerWaalsContact O-N 3.08Å; N276-Y278 PolarHBondContact OD1-N 2.77Å; N276-Y278 VanDerWaalsContact OD1-N 3.09Å; Y278-W280 VanDerWaalsContact C-N 3.28Å
279H79.9Confident69.6Low6 Ų642 Ų423%0.02821%0.214CC..G310 helixtrans-85.5-2.4170.8-65.7166.6000113.3I259 C274 N276I259-H279 WeakPolarHBondContact CG1-O 3.38Å; I259-H279 PolarHBondContact N-O 2.61Å; C274-H279 PolarHBondContact SG-ND1 2.8Å; N276-H279 PolarHBondContact ND2-CD2 2.92Å; N276-H279 PolarHBondContact ND2-CE1 3.24Å; N276-H279 VanDerWaalsContact ND2-CE1 3.33Å; N276-H279 PolarHBondContact ND2-NE2 3.34Å; N276-H279 PolarHBondContact O-N 3.08Å
280W85.5Confident69.8Low0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-108.1164.1179.5-61.897.6000112.6L238 R246 W247 L256 R257 R258 I273 C274 N276 P277 Y278 V305L238-W280 HydrophobicContact CD2-CD2 4.31Å; L238-W280 HydrophobicContact CD2-CH2 4.46Å; L238-W280 HydrophobicContact CD2-CZ2 3.98Å; R246-W280 PolarHBondContact NH1-O 3.36Å; W247-W280 HydrophobicContact CH2-CB 4.42Å; L256-W280 HydrophobicContact CB-CB 4.4Å; L256-W280 HydrophobicContact CB-CD2 4.3Å; L256-W280 HydrophobicContact CB-CE3 3.74Å; L256-W280 HydrophobicContact CB-CZ3 4.49Å; L256-W280 HydrophobicContact CD1-CB 4.19Å; L256-W280 HydrophobicContact CD1-CG 4.24Å; R257-W280 VanDerWaalsContact C-CE3 3.49Å; R257-W280 CarbonylContact O-C 3.53Å; R257-W280 WeakPolarHBondContact O-CA 3.47Å; R258-W280 HydrophobicContact CB-CE3 4.33Å; R258-W280 HydrophobicContact CB-CH2 4.39Å; R258-W280 HydrophobicContact CB-CZ3 4.03Å; I273-W280 HydrophobicContact CD1-CH2 3.86Å; I273-W280 HydrophobicContact CD1-CZ2 3.76Å; I273-W280 HydrophobicContact CG1-CH2 4.01Å; I273-W280 HydrophobicContact CG1-CZ2 3.53Å; C274-W280 PolarHBondContact O-NE1 3.47Å; N276-W280 VanDerWaalsContact O-CD1 3.29Å; P277-W280 PolarHBondContact O-N 3.22Å; Y278-W280 VanDerWaalsContact C-N 3.28Å; W280-V305 HydrophobicContact CH2-CG2 3.78Å; W280-V305 HydrophobicContact CZ3-CB 4.43Å; W280-V305 HydrophobicContact CZ3-CG2 3.85Å
281S89.7Confident69.7Low1 Ų140.9 Ų40.91%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-141.9134174.4-173.70000107.9L256 R257 I259 G780 Y781 S782L256-S281 WeakPolarHBondContact CA-O 3.42Å; R257-S281 PolarHBondContact N-O 2.96Å; R257-S281 PolarHBondContact O-N 3.17Å; I259-S281 VanDerWaalsContact CG2-CB 3.43Å; S281-G780 WeakPolarHBondContact CA-O 3.2Å; S281-G780 PolarHBondContact OG-O 2.98Å; S281-G780 VanDerWaalsContact OG-O 3.09Å; S281-Y781 WeakPolarHBondContact OG-CA 3.29Å; S281-Y781 PolarHBondContact OG-O 3.01Å; S281-S782 WeakPolarHBondContact CB-OG 3.45Å; S281-S782 PolarHBondContact OG-N 3.26Å; S281-S782 VanDerWaalsContact OG-N 3.1Å; S281-S782 PolarHBondContact OG-OG 2.99Å
282R92.4Very high69.7Low21 Ų2148.6 Ų48.68%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-76.1129.8-178.5-168.6170.2178.9-158.614.1109W247 D249 L250 D254 L256 L284 G780 Y781 S782W247-R282 HydrophobicContact CD2-CB 4.26Å; W247-R282 HydrophobicContact CH2-CB 4.14Å; W247-R282 HydrophobicContact CZ2-CB 3.75Å; D249-R282 VanDerWaalsContact CG-NH1 3.26Å; D249-R282 PolarHBondContact O-NH2 2.69Å; D249-R282 IonicContact OD1-CZ 2.7Å; D249-R282 IonicContact OD1-NH1 3.96Å; D249-R282 PolarHBondContact OD1-NH1 2.89Å; D249-R282 VanDerWaalsContact OD1-NH1 3.13Å; D249-R282 IonicContact OD2-CZ 3.18Å; D249-R282 VanDerWaalsContact OD2-CZ 3.26Å; D249-R282 IonicContact OD2-NH1 3.26Å; D249-R282 PolarHBondContact OD2-NH1 3.28Å; D249-R282 IonicContact OD2-NH2 2.6Å; D249-R282 PolarHBondContact OD2-NH2 2.94Å; L250-R282 HydrophobicContact CD1-CG 4.39Å; D254-R282 IonicContact OD1-NH2 3.89Å; D254-R282 IonicContact OD2-CZ 2.67Å; D254-R282 IonicContact OD2-NE 3.44Å; D254-R282 PolarHBondContact OD2-NE 2.87Å; D254-R282 IonicContact OD2-NH2 3.96Å; D254-R282 PolarHBondContact OD2-NH2 3.37Å; L256-R282 HydrophobicContact CD2-CB 3.98Å; L256-R282 HydrophobicContact CD2-CG 4.12Å; R282-L284 PolarHBondContact O-N 3.09Å; R282-G780 PolarHBondContact N-O 3.06Å; R282-G780 VanDerWaalsContact N-O 3.14Å; R282-Y781 HydrophobicContact CB-CD1 3.86Å; R282-Y781 HydrophobicContact CB-CE1 3.75Å; R282-Y781 HydrophobicContact CB-CG 4.42Å; R282-Y781 HydrophobicContact CG-CD1 4.26Å; R282-Y781 HydrophobicContact CG-CE1 3.81Å; R282-Y781 PolarHBondContact NH1-OH 2.87Å; R282-Y781 CarbonylContact O-C 3.58Å; R282-Y781 VanDerWaalsContact O-CA 3.24Å; R282-Y781 WeakPolarHBondContact O-CA 3.43Å; R282-Y781 WeakPolarHBondContact O-CD1 3.38Å; R282-S782 PolarHBondContact O-N 2.89Å
283V91.6Very high69.8Low8 Ų849.9 Ų49.95%0.04824%0.241CC..EExtended strand (participates in β ladder)trans-72120.4-179.71730000108.4Y255 R257 I285 Y298 W727 S782Y255-V283 WeakPolarHBondContact O-CB 3.44Å; Y255-V283 PolarHBondContact O-N 3.19Å; R257-V283 HydrophobicContact CB-CG2 3.98Å; V283-I285 HydrophobicContact CG1-CG1 4.39Å; V283-I285 PolarHBondContact O-N 3.14Å; V283-Y298 HydrophobicContact CG1-CE1 4.31Å; V283-Y298 HydrophobicContact CG1-CE2 4.3Å; V283-W727 HydrophobicContact CG1-CH2 3.84Å; V283-W727 HydrophobicContact CG1-CZ3 3.97Å; V283-W727 HydrophobicContact CG2-CH2 4.34Å; V283-W727 HydrophobicContact CG2-CZ3 4.33Å; V283-S782 CarbonylContact C-O 3.54Å; V283-S782 WeakPolarHBondContact CA-O 3.43Å
284L90.3Very high69.1Low27 Ų2749.9 Ų49.914%0.14124%0.24CC..  trans-77.9100.4171.3-163.690.8000108R282 Y775 V777 Y781 S782 L783R282-L284 PolarHBondContact O-N 3.09Å; L284-Y775 HydrophobicContact CD2-CD1 4.29Å; L284-V777 HydrophobicContact CD2-CG2 4.38Å; L284-Y781 HydrophobicContact CB-CD1 4.4Å; L284-Y781 HydrophobicContact CD1-CD1 3.92Å; L284-Y781 HydrophobicContact CD1-CE1 4.41Å; L284-S782 PolarHBondContact N-O 2.86Å; L284-L783 HydrophobicContact CB-CD1 4.34Å; L284-L783 HydrophobicContact CD2-CD1 4.18Å; L284-L783 HydrophobicContact CD2-CD2 4.45Å; L284-L783 WeakPolarHBondContact O-CD1 3.35Å
285I81.2Confident68Low52 Ų5251.1 Ų51.127%0.26725%0.249SC..  trans-71.9129.7173.9-56.1179.8000108.2Y255 V283 H294 Y298Y255-I285 HydrophobicContact CD2-CD1 4.04Å; V283-I285 HydrophobicContact CG1-CG1 4.39Å; V283-I285 PolarHBondContact O-N 3.14Å; I285-H294 WeakPolarHBondContact CG2-CE1 3.2Å; I285-Y298 HydrophobicContact CG1-CE2 4.26Å
286Q72Confident67.2Low23 Ų2354.9 Ų54.911%0.10728%0.275CS..SBendtrans-68.5-53.2-174.4-77.4151-24.800111.6Y775 L783 L784Q286-Y775 HydrophobicContact CB-CE1 4Å; Q286-Y775 HydrophobicContact CG-CD1 4.46Å; Q286-Y775 HydrophobicContact CG-CE1 3.9Å; Q286-L783 HydrophobicContact CG-CD1 3.8Å; Q286-L784 PolarHBondContact NE2-O 2.91Å
287D60.7Low66.4Low55 Ų5556.1 Ų56.129%0.29428%0.281SS..  trans-131.6134.8-178.5-59.2-76000109.8I289 H294D287-I289 PolarHBondContact O-N 2.82Å; D287-I289 VanDerWaalsContact O-N 3.1Å; D287-H294 PolarHBondContact O-CE1 2.81Å; D287-H294 VanDerWaalsContact O-CE1 3.29Å; D287-H294 PolarHBondContact O-NE2 2.82Å
288K50.9Low65.8Low198 Ų19856.2 Ų56.286%0.86128%0.281SS*.  trans-72.72.6179.8-75.2-169174.5-174.80114.5
289I41Very low64.7Low134 Ų13457.9 Ų57.969%0.68730%0.297SS*.SBendtrans-89.4129.5-170.8-51.8178.4000110.1D287D287-I289 PolarHBondContact O-N 2.82Å; D287-I289 VanDerWaalsContact O-N 3.1Å
290N47.3Very low63.6Low111 Ų11159.4 Ų59.459%0.59431%0.309SS*.  trans61.493.1-179.4-78.7-36.6000117.6K292 V293 H294N290-K292 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 2.9Å; N290-V293 HydrophobicContact CB-CB 4.35Å; N290-V293 HydrophobicContact CB-CG2 3.9Å; N290-V293 PolarHBondContact O-N 3.32Å; N290-H294 PolarHBondContact O-CD2 3.45Å; N290-H294 PolarHBondContact O-N 3.14Å
291E45.8Very low62.8Low109 Ų10959.6 Ų59.651%0.50931%0.31SS..Hα-helixtrans-57-35.4173.3-51.1-166155.100113.9V293 H294 C295 K310E291-V293 PolarHBondContact O-N 2.74Å; E291-H294 PolarHBondContact O-N 3.05Å; E291-H294 VanDerWaalsContact O-N 3.16Å; E291-C295 PolarHBondContact O-N 3.46Å; E291-K310 WeakPolarHBondContact OE1-CD 3.04Å; E291-K310 WeakPolarHBondContact OE1-CE 3.41Å; E291-K310 IonicContact OE1-NZ 2.75Å; E291-K310 PolarHBondContact OE1-NZ 3.33Å; E291-K310 IonicContact OE2-NZ 2.91Å
292K47Very low61.8Low188 Ų18863.4 Ų63.482%0.81733%0.334SS*.Hα-helixtrans-58.8-33.6176.1-78.4-171.7174.5179.90112.9N290N290-K292 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 2.9Å
293V50.9Low61.1Low50 Ų5064.7 Ų64.730%0.30334%0.343SS..Hα-helixtrans-76.1-35.4178.9178.80000110.6N290 E291 S296 K297 H749N290-V293 HydrophobicContact CB-CB 4.35Å; N290-V293 HydrophobicContact CB-CG2 3.9Å; N290-V293 PolarHBondContact O-N 3.32Å; E291-V293 PolarHBondContact O-N 2.74Å; V293-S296 PolarHBondContact O-N 2.87Å; V293-S296 PolarHBondContact O-OG 3.36Å; V293-S296 VanDerWaalsContact O-OG 3.05Å; V293-K297 VanDerWaalsContact O-CB 3.26Å; V293-K297 WeakPolarHBondContact O-CB 3.4Å; V293-K297 PolarHBondContact O-N 3.42Å; V293-H749 WeakPolarHBondContact CG1-NE2 3.35Å
294H51.5Low60.6Low19 Ų1964.6 Ų64.69%0.08834%0.342CS..Hα-helixtrans-67.5-38.1175.4-68.4-55.9000112.8I285 D287 N290 E291 S296 K297 Y298I285-H294 WeakPolarHBondContact CG2-CE1 3.2Å; D287-H294 PolarHBondContact O-CE1 2.81Å; D287-H294 VanDerWaalsContact O-CE1 3.29Å; D287-H294 PolarHBondContact O-NE2 2.82Å; N290-H294 PolarHBondContact O-CD2 3.45Å; N290-H294 PolarHBondContact O-N 3.14Å; E291-H294 PolarHBondContact O-N 3.05Å; E291-H294 VanDerWaalsContact O-N 3.16Å; H294-S296 PolarHBondContact O-N 3.13Å; H294-K297 PolarHBondContact O-N 2.76Å; H294-Y298 HydrophobicContact CB-CD2 4.03Å; H294-Y298 HydrophobicContact CB-CE2 3.87Å; H294-Y298 AromaticContact ND1-CE2 3.56Å; H294-Y298 AromaticContact ND1-CZ 3.9Å; H294-Y298 WeakPolarHBondContact O-CB 3.26Å; H294-Y298 WeakPolarHBondContact O-CD2 3.48Å; H294-Y298 PolarHBondContact O-N 3.49Å
295C47.1Very low60Low33 Ų3363.6 Ų63.622%0.22334%0.337CS..Hα-helixtrans-58-47.9174.5-70.80000112Y255 E291 S299Y255-C295 PolarHBondContact OH-SG 2.7Å; E291-C295 PolarHBondContact O-N 3.46Å; C295-S299 WeakPolarHBondContact O-CB 3.31Å; C295-S299 PolarHBondContact O-N 2.99Å
296S56.2Low60Low88 Ų8861.8 Ų61.862%0.61533%0.328SS*.Hα-helixtrans-69.2-40.8178560000112.7V293 H294 Y298V293-S296 PolarHBondContact O-N 2.87Å; V293-S296 PolarHBondContact O-OG 3.36Å; V293-S296 VanDerWaalsContact O-OG 3.05Å; H294-S296 PolarHBondContact O-N 3.13Å; S296-Y298 PolarHBondContact O-N 3.21Å
297K59.2Low60.2Low27 Ų2760.7 Ų60.712%0.11732%0.323CS..Hα-helixtrans-65.4-23.3-179.6-157.2177.1-166.3-174.40113.7V293 H294 H749 L784V293-K297 VanDerWaalsContact O-CB 3.26Å; V293-K297 WeakPolarHBondContact O-CB 3.4Å; V293-K297 PolarHBondContact O-N 3.42Å; H294-K297 PolarHBondContact O-N 2.76Å; K297-H749 PolarHBondContact NZ-CD2 3.22Å; K297-L784 HydrophobicContact CD-CD2 4.14Å; K297-L784 HydrophobicContact CG-CD2 3.8Å
298Y63.6Low60.3Low2 Ų258.4 Ų58.41%0.00831%0.313CS..Hα-helixtrans-115-20.8-177.3-56.4-39.3000115.3Y255 V283 I285 H294 S296 S300 D301 I304 W727 L784Y255-Y298 HydrophobicContact CD1-CD2 4.25Å; Y255-Y298 HydrophobicContact CE1-CD2 4.26Å; V283-Y298 HydrophobicContact CG1-CE1 4.31Å; V283-Y298 HydrophobicContact CG1-CE2 4.3Å; I285-Y298 HydrophobicContact CG1-CE2 4.26Å; H294-Y298 HydrophobicContact CB-CD2 4.03Å; H294-Y298 HydrophobicContact CB-CE2 3.87Å; H294-Y298 AromaticContact ND1-CE2 3.56Å; H294-Y298 AromaticContact ND1-CZ 3.9Å; H294-Y298 WeakPolarHBondContact O-CB 3.26Å; H294-Y298 WeakPolarHBondContact O-CD2 3.48Å; H294-Y298 PolarHBondContact O-N 3.49Å; S296-Y298 PolarHBondContact O-N 3.21Å; Y298-S300 PolarHBondContact O-N 2.84Å; Y298-S300 VanDerWaalsContact O-N 3.16Å; Y298-D301 PolarHBondContact O-N 2.81Å; Y298-I304 HydrophobicContact CD1-CD1 4.44Å; Y298-W727 AromaticContact CD1-CH2 3.73Å; Y298-W727 HydrophobicContact CD1-CH2 3.73Å; Y298-W727 AromaticContact CD1-CZ2 3.78Å; Y298-W727 HydrophobicContact CD1-CZ2 3.78Å; Y298-W727 AromaticContact CE1-CH2 3.67Å; Y298-W727 HydrophobicContact CE1-CH2 3.67Å; Y298-W727 HydrophobicContact CE1-CZ2 4.08Å; Y298-L784 HydrophobicContact CE1-CD2 4.22Å
299S53.8Low60.2Low64 Ų6450.1 Ų50.145%0.44828%0.278SS..THydrogen-bonded Turntrans-68.1-12.3-178-173.40000114.5C295 D301C295-S299 WeakPolarHBondContact O-CB 3.31Å; C295-S299 PolarHBondContact O-N 2.99Å; S299-D301 VanDerWaalsContact C-N 3.34Å
300S58.2Low60.4Low38 Ų3848 Ų4827%0.26626%0.263SS..THydrogen-bonded Turntrans-75.4-19174.755.70000113.4Y298 P302 Y723Y298-S300 PolarHBondContact O-N 2.84Å; Y298-S300 VanDerWaalsContact O-N 3.16Å; S300-P302 WeakPolarHBondContact O-CD 3.32Å; S300-Y723 VanDerWaalsContact O-CD2 3.25Å; S300-Y723 WeakPolarHBondContact O-CD2 3.34Å; S300-Y723 WeakPolarHBondContact O-CE2 3.4Å
301D68.6Low59.8Low4 Ų449.3 Ų49.32%0.02127%0.266CS..  trans-93.5113.5177.9-162.4-28.7000110.5R257 Y298 S299 D303 I304 W727R257-D301 IonicContact CZ-OD1 3.81Å; R257-D301 IonicContact CZ-OD2 2.98Å; R257-D301 IonicContact NE-OD2 2.82Å; R257-D301 PolarHBondContact NE-OD2 2.77Å; R257-D301 VanDerWaalsContact NH2-CG 3.33Å; R257-D301 IonicContact NH2-OD1 2.77Å; R257-D301 PolarHBondContact NH2-OD1 2.95Å; R257-D301 IonicContact NH2-OD2 3.94Å; R257-D301 PolarHBondContact NH2-OD2 2.76Å; Y298-D301 PolarHBondContact O-N 2.81Å; S299-D301 VanDerWaalsContact C-N 3.34Å; D301-D303 PolarHBondContact O-N 3.36Å; D301-D303 WeakPolarHBondContact OD1-CB 3.23Å; D301-D303 PolarHBondContact OD1-N 3Å; D301-D303 VanDerWaalsContact OD1-N 3.11Å; D301-I304 HydrophobicContact CB-CB 4.37Å; D301-I304 HydrophobicContact CB-CD1 3.66Å; D301-I304 HydrophobicContact CB-CG1 3.81Å; D301-I304 PolarHBondContact O-N 3.39Å; D301-I304 VanDerWaalsContact O-N 3.12Å; D301-W727 PolarHBondContact OD2-NE1 3.09Å
302P68.9Low59Low81 Ų8150.3 Ų50.353%0.52627%0.274SS..THydrogen-bonded Turntrans-64.3-23.1-179.427.1-34.9000112.6R198 S300 I304R198-P302 PolarHBondContact NH1-O 3.45Å; S300-P302 WeakPolarHBondContact O-CD 3.32Å; P302-I304 VanDerWaalsContact C-N 3.28Å; P302-I304 PolarHBondContact O-N 2.95Å
303D77Confident57.9Low48 Ų4848.5 Ų48.526%0.25727%0.273SS..THydrogen-bonded Turntrans-79.7-2.6177.5-86.5-32000114.2R257 R258 D301R257-D303 CarbonylContact C-O 3.55Å; R257-D303 WeakPolarHBondContact CA-O 3.49Å; R257-D303 HydrophobicContact CG-CB 4.33Å; R257-D303 IonicContact NH1-OD2 3.36Å; R258-D303 HydrophobicContact CB-CB 3.76Å; R258-D303 WeakPolarHBondContact CB-OD1 3.49Å; R258-D303 VanDerWaalsContact CD-OD1 3.26Å; R258-D303 WeakPolarHBondContact CD-OD1 3.48Å; R258-D303 IonicContact CZ-OD1 2.68Å; R258-D303 PolarHBondContact N-O 3.06Å; R258-D303 IonicContact NE-OD1 3.13Å; R258-D303 PolarHBondContact NE-OD1 3.01Å; D301-D303 PolarHBondContact O-N 3.36Å; D301-D303 WeakPolarHBondContact OD1-CB 3.23Å; D301-D303 PolarHBondContact OD1-N 3Å; D301-D303 VanDerWaalsContact OD1-N 3.11Å
304I80.3Confident56.5Low6 Ų653.7 Ų53.73%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-95139.4176.4-63.6178.5000111.6R198 Y255 L256 R257 Y298 D301 P302 W727R198-I304 PolarHBondContact NH1-O 3.17Å; R198-I304 PolarHBondContact NH2-O 3.46Å; Y255-I304 HydrophobicContact CD1-CG2 3.77Å; L256-I304 WeakPolarHBondContact O-CA 3.37Å; R257-I304 HydrophobicContact CB-CG1 3.97Å; R257-I304 HydrophobicContact CG-CD1 4.44Å; R257-I304 HydrophobicContact CG-CG1 3.72Å; Y298-I304 HydrophobicContact CD1-CD1 4.44Å; D301-I304 HydrophobicContact CB-CB 4.37Å; D301-I304 HydrophobicContact CB-CD1 3.66Å; D301-I304 HydrophobicContact CB-CG1 3.81Å; D301-I304 PolarHBondContact O-N 3.39Å; D301-I304 VanDerWaalsContact O-N 3.12Å; P302-I304 VanDerWaalsContact C-N 3.28Å; P302-I304 PolarHBondContact O-N 2.95Å; I304-W727 HydrophobicContact CD1-CH2 3.7Å; I304-W727 HydrophobicContact CD1-CZ2 3.27Å
305V78.9Confident55.2Low5 Ų557.7 Ų57.73%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-134131.1179-177.50000109Y199 Y255 L256 I273 W280Y199-V305 HydrophobicContact CD2-CG1 3.82Å; Y199-V305 HydrophobicContact CD2-CG2 4.18Å; Y199-V305 HydrophobicContact CE2-CG1 4.24Å; Y199-V305 HydrophobicContact CE2-CG2 3.78Å; Y255-V305 WeakPolarHBondContact CA-O 3.35Å; L256-V305 PolarHBondContact N-O 2.73Å; L256-V305 PolarHBondContact O-N 2.81Å; I273-V305 HydrophobicContact CD1-CG1 4.25Å; I273-V305 HydrophobicContact CD1-CG2 3.98Å; W280-V305 HydrophobicContact CH2-CG2 3.78Å; W280-V305 HydrophobicContact CZ3-CB 4.43Å; W280-V305 HydrophobicContact CZ3-CG2 3.85Å
306C80.3Confident54Low14 Ų1463.6 Ų63.610%0.09535%0.35CS..EExtended strand (participates in β ladder)trans-89.7133166.6-170.30000109C196 Y255C196-C306 HydrophobicContact CB-CB 3.79Å; C196-C306 PolarHBondContact O-N 3.16Å; Y255-C306 HydrophobicContact CD1-CB 3.95Å; Y255-C306 HydrophobicContact CE1-CB 3.69Å; Y255-C306 HydrophobicContact CG-CB 4.48Å
307L77.8Confident52.4Low0 Ų064.3 Ų64.30%035%0.354CS..  trans-84.7131.2-175-64.3177.8000112.1D236 L238 L239 L250 G253 D254 L256D236-L307 WeakPolarHBondContact OD2-CA 3.49Å; L238-L307 HydrophobicContact CB-CD2 4.29Å; L238-L307 HydrophobicContact CD2-CD2 4.01Å; L238-L307 HydrophobicContact CG-CD2 4Å; L239-L307 HydrophobicContact CB-CB 4.33Å; L239-L307 HydrophobicContact CB-CD1 4.37Å; L239-L307 HydrophobicContact CB-CD2 4.41Å; L239-L307 HydrophobicContact CD1-CB 4.36Å; L239-L307 HydrophobicContact CD1-CD1 3.86Å; L250-L307 HydrophobicContact CD1-CD1 3.82Å; L250-L307 HydrophobicContact CD2-CD1 3.6Å; L250-L307 HydrophobicContact CG-CD1 3.7Å; G253-L307 PolarHBondContact N-O 2.93Å; D254-L307 HydrophobicContact CB-CD1 4.46Å; D254-L307 PolarHBondContact O-N 3.38Å; L256-L307 HydrophobicContact CD1-CD1 3.99Å; L256-L307 HydrophobicContact CD1-CD2 4.06Å; L256-L307 HydrophobicContact CD1-CG 4.39Å; L256-L307 HydrophobicContact CG-CD1 3.93Å; L256-L307 HydrophobicContact CG-CD2 4.34Å; L256-L307 HydrophobicContact CG-CG 4.24Å
308G62.2Low50.6Low7 Ų768.2 Ų68.27%0.07239%0.385CS..SBendtrans53.6-146.7179.700000113.6S197 D236S197-G308 WeakPolarHBondContact CB-O 3.17Å; D236-G308 PolarHBondContact OD2-N 2.58Å
309L48.8Very low48.7Very low24 Ų2476.2 Ų76.213%0.12643%0.428CS..  trans-118.5146.1165.3-70.1160.3000108.2M31 L193 N194 M200 P252M31-L309 HydrophobicContact CE-CB 4.14Å; M31-L309 VanDerWaalsContact CE-O 3.24Å; M31-L309 WeakPolarHBondContact CE-O 3.41Å; M31-L309 HydrophobicContact SD-CB 3.83Å; M31-L309 HydrophobicContact SD-CD1 4.19Å; L193-L309 HydrophobicContact CB-CD1 3.85Å; L193-L309 HydrophobicContact CB-CD2 3.82Å; L193-L309 HydrophobicContact CB-CG 4.4Å; L193-L309 HydrophobicContact CD1-CD1 3.73Å; L193-L309 HydrophobicContact CG-CD1 4.42Å; N194-L309 HydrophobicContact CB-CD2 4.01Å; M200-L309 HydrophobicContact CE-CD1 3.65Å; M200-L309 HydrophobicContact CE-CG 4.11Å; M200-L309 HydrophobicContact SD-CD1 4.14Å; M200-L309 HydrophobicContact SD-CG 4.07Å; P252-L309 VanDerWaalsContact CB-O 3.24Å; P252-L309 WeakPolarHBondContact CB-O 2.98Å
310K45.4Very low47.3Very low89 Ų8981.7 Ų81.739%0.38745%0.446SS..  trans-69.8144.4154.7-69.3-174.4169-179.30108E291 I312E291-K310 WeakPolarHBondContact OE1-CD 3.04Å; E291-K310 WeakPolarHBondContact OE1-CE 3.41Å; E291-K310 IonicContact OE1-NZ 2.75Å; E291-K310 PolarHBondContact OE1-NZ 3.33Å; E291-K310 IonicContact OE2-NZ 2.91Å; K310-I312 PolarHBondContact O-N 3.29Å; K310-I312 VanDerWaalsContact O-N 3.11Å
311H34Very low45.6Very low140 Ų14089.1 Ų89.165%0.64848%0.476SS*.  trans-53.5120.5165.6-82.1-90.6000108.2Q29 N313Q29-H311 PolarHBondContact NE2-NE2 3.1Å; Q29-H311 PolarHBondContact OE1-NE2 2.77Å; Q29-H311 VanDerWaalsContact OE1-NE2 3.16Å; H311-N313 VanDerWaalsContact C-N 3.32Å; H311-N313 PolarHBondContact O-N 3.38Å
312I28.9Very low43.4Very low130 Ų13094.4 Ų94.467%0.66751%0.514SS*.  trans-73.795.8174.5-60175.8000105.7K310 H314K310-I312 PolarHBondContact O-N 3.29Å; K310-I312 VanDerWaalsContact O-N 3.11Å; I312-H314 PolarHBondContact O-N 3.47Å
313N23.7Very low41.2Very low149 Ų14999.2 Ų99.280%0.79753%0.529SS*.  trans-51.9112.6165.8-73.4-10.1000107.1H311 P315H311-N313 VanDerWaalsContact C-N 3.32Å; H311-N313 PolarHBondContact O-N 3.38Å; N313-P315 WeakPolarHBondContact O-CD 3.42Å; N313-P315 VanDerWaalsContact O-N 3.08Å
314H22.5Very low38.8Very low160 Ų160103.9 Ų103.974%0.74156%0.559SS**  trans-55.2114.9-171.2-87.9-106000110.6I312 N316I312-H314 PolarHBondContact O-N 3.47Å; H314-N316 PolarHBondContact O-N 3.16Å
315P23.2Very low36.1Very low102 Ų102112.8 Ų112.866%0.66260%0.597SS**SBendtrans-69.3115.8162.729.6-29.8000107.1N313N313-P315 WeakPolarHBondContact O-CD 3.42Å; N313-P315 VanDerWaalsContact O-N 3.08Å
316N22.5Very low33.3Very low157 Ų157116.1 Ų116.184%0.8463%0.633SS**SBendtrans70.579.6174.1-47.4-20.4000115.8H314H314-N316 PolarHBondContact O-N 3.16Å
317C22.4Very low30.8Very low104 Ų104123.3 Ų123.370%0.70367%0.669SS**SBendtrans-137.7146.4138.9-91.10000109.3
318S22.4Very low28.1Very low109 Ų109131.2 Ų131.276%0.76271%0.712SS**  trans46.780.4178.758.40000117.2H320S318-H320 VanDerWaalsContact C-N 3.26Å; S318-H320 PolarHBondContact O-N 3.07Å
319N23.3Very low26.6Very low170 Ų170138.6 Ų138.691%0.90975%0.748SS**  trans-70.793.6133.9-922.7000107.1
320H24.3Very low25.4Very low179 Ų179141.2 Ų141.283%0.82978%0.78SS**  trans-148.7112.4160.1-107.4-76000108.1S318S318-H320 VanDerWaalsContact C-N 3.26Å; S318-H320 PolarHBondContact O-N 3.07Å
321E21.3Very low24.4Very low193 Ų193141.6 Ų141.690%0.90280%0.795SS**  trans-74.1132178-64.9172.79700110.6
322S23.8Very low24Very low116 Ų116144.5 Ų144.581%0.81181%0.808SS**  trans-162.6136.3140.69.10000112.3
323H23.1Very low23.8Very low182 Ų182145 Ų14584%0.84380%0.803SS**  trans-48.7128.7-178.4-62-89.6000116.7
324V26.4Very low23.9Very low145 Ų145143.5 Ų143.588%0.87980%0.801SS**  trans-133.6138.6136.5-177.70000108.8
325K22.1Very low24.1Very low193 Ų193146 Ų14684%0.83981%0.81SS**  trans-97.5119.7178.9-72177.91791740111.3
326G22Very low24.2Very low75 Ų75146 Ų14677%0.77380%0.804SS**  trans73.3124.214000000119.4
327L26.3Very low24.4Very low166 Ų166145 Ų14587%0.86980%0.796SS**  trans-152.7122.5135.2-112.5165.9000109
328N22.4Very low24.8Very low166 Ų166147.7 Ų147.789%0.88880%0.8SS**  trans-85.9121.9176.6-85-45.4000109.9
329I29Very low25Very low161 Ų161148 Ų14883%0.82680%0.8SS**  trans-128.9111.4160.9-59.2-179.2000106.8
330G23.9Very low25.1Very low79 Ų79146.4 Ų146.481%0.81479%0.79SS**  trans-80.3141.6-173.600000112.9
331S26Very low25.1Very low98 Ų98144.8 Ų144.869%0.68579%0.787SS**  trans-95.2122.3165.149.30000110Y333S331-Y333 PolarHBondContact O-N 3.25Å; S331-Y333 VanDerWaalsContact O-N 3.11Å
332E23.9Very low25.4Very low200 Ų200142.8 Ų142.894%0.93578%0.782SS**  trans-86.281.5-173.7-169.9163-143.100111.5
333Y26.2Very low25.5Very low142 Ų142142.5 Ų142.556%0.55778%0.777SS**  trans-76.9143168.6-83.3-89.9000111.3S331 K335S331-Y333 PolarHBondContact O-N 3.25Å; S331-Y333 VanDerWaalsContact O-N 3.11Å; Y333-K335 PolarHBondContact O-N 3.07Å
334P25.8Very low25.7Very low116 Ų116140 Ų14075%0.75378%0.777SS**  trans-63.2118.6176.725.2-33.6000111.3D336P334-D336 PolarHBondContact O-N 3.28Å
335K26.7Very low25.8Very low212 Ų212138 Ų13892%0.92277%0.77SS**  trans-72.981.9-179-65173.9-177.7168.80111.5Y333Y333-K335 PolarHBondContact O-N 3.07Å
336D25.3Very low25.9Very low102 Ų102135.2 Ų135.255%0.54577%0.769SS.*  trans-136.124.7178.6-144.523.8000112.5P334 R776P334-D336 PolarHBondContact O-N 3.28Å; D336-R776 IonicContact OD2-CZ 3.18Å; D336-R776 IonicContact OD2-NH1 3.79Å; D336-R776 PolarHBondContact OD2-NH1 3.21Å; D336-R776 IonicContact OD2-NH2 3.89Å
337M26.8Very low26.1Very low136 Ų136139.6 Ų139.667%0.6777%0.774SS**  trans-145.3113.4169.7-79.7-65.4154.500110.7
338M29Very low26Very low162 Ų162137.4 Ų137.480%0.79877%0.772SS**  trans-127.1113.8169.7-84-128.470.600110.6L340M338-L340 HydrophobicContact CE-CB 4.48Å; M338-L340 HydrophobicContact CE-CD1 3.9Å; M338-L340 HydrophobicContact CE-CG 4.12Å
339P27.1Very low26.3Very low115 Ų115134.1 Ų134.175%0.74776%0.763SS**  trans-11396.3163.533.9-20.9000109.8
340L25.9Very low26.1Very low136 Ų136133.7 Ų133.771%0.71276%0.761SS**  trans-136.4110.4164.8-78.5-177.8000110.6M338M338-L340 HydrophobicContact CE-CB 4.48Å; M338-L340 HydrophobicContact CE-CD1 3.9Å; M338-L340 HydrophobicContact CE-CG 4.12Å
341L23.3Very low26.2Very low146 Ų146137.4 Ų137.476%0.76476%0.761SS**  trans-75.2131.3154.7-77.1159.6000108
342L27.9Very low26.2Very low150 Ų150137.6 Ų137.679%0.78576%0.762SS**  trans-128120.8162.7-82.5168.1000107.4
343P25.8Very low26.3Very low111 Ų111134 Ų13472%0.72176%0.759SS**  trans-73.9143.5175.631.2-33.6000110.1S345P343-S345 PolarHBondContact O-N 3.03Å; P343-S345 VanDerWaalsContact O-N 3.11Å
344P28.3Very low26.2Very low130 Ų130132.8 Ų132.884%0.84477%0.772SS**  trans-72.5105.3174.529.1-32.8000110.1T346P344-T346 PolarHBondContact O-N 3.39Å
345S28.3Very low26.4Very low103 Ų103132.3 Ų132.372%0.7277%0.771SS**  trans-71.8109.4171.249.90000110.8P343 L347P343-S345 PolarHBondContact O-N 3.03Å; P343-S345 VanDerWaalsContact O-N 3.11Å; S345-L347 PolarHBondContact O-N 3.46Å
346T23.7Very low26.6Very low134 Ų134127.4 Ų127.482%0.82276%0.764SS**  trans19.310015152.60000117.3P344P344-T346 PolarHBondContact O-N 3.39Å
347L26.8Very low26.7Very low167 Ų167127.3 Ų127.387%0.87477%0.771SS**  trans-110.8117.9152.1-124.989.5000109.2S345S345-L347 PolarHBondContact O-N 3.46Å
348S24.2Very low26.7Very low119 Ų119126.2 Ų126.283%0.83277%0.772SS**  trans-103.591.4-174.854.20000112
349S27.9Very low26.7Very low98 Ų98126.5 Ų126.569%0.68577%0.772SS**  trans-162.990.3167.853.70000107.7
350L25.7Very low26.6Very low152 Ų152125 Ų12580%0.79676%0.764SS**  44.3108.972.5-86.7168.7000113.8
351L26.1Very low26.8Very low157 Ų157124.2 Ų124.282%0.82277%0.765SS**  trans67143.1156.8-52.5167.1000115.9
352S25.7Very low26.9Very low101 Ų101122.5 Ų122.571%0.70677%0.765SS**  cis-165.9153.2-10.9-990000109.3
353S26.3Very low26.9Very low124 Ų124119.5 Ų119.587%0.86776%0.762SS**  trans-161.7107155.757.60000112
354S23.8Very low27Very low118 Ų118122.9 Ų122.983%0.82577%0.768SS**  trans-153.375.2173.862.90000112.1
355S29.2Very low27Very low106 Ų106121.9 Ų121.974%0.74176%0.76SS**  trans-164.2128.9169.148.40000111.3
356S30.6Very low26.9Very low109 Ų109125.4 Ų125.476%0.76277%0.765SS**  trans40.4141.4147.456.90000121.7
357S28.2Very low27.1Very low100 Ų100126.2 Ų126.270%0.69976%0.763SS**  cis179.7169.7-17.242.90000107.7
358T27Very low27Very low112 Ų112123.2 Ų123.269%0.68776%0.755SS**  trans15.6127.615055.50000118.3
359E28.3Very low27.1Very low169 Ų169122.5 Ų122.579%0.7975%0.751SS**  cis178.9-177.523.9-113.3-173.2-115.500108.1
360S26.4Very low27.1Very low83 Ų83124.8 Ų124.858%0.5875%0.753SS**  cis-167.3-179.4-9.946.90000111.5
361T28.9Very low27Very low119 Ų119128.4 Ų128.473%0.7376%0.756SS**  trans43.5102.515513.70000123.6
362S25.6Very low27Very low110 Ų110128.6 Ų128.677%0.76976%0.755SS**  67.6128.4120.865.70000125.5
363A28.7Very low26.9Very low88 Ų88130.5 Ų130.573%0.72776%0.757SS**  trans106108.7133.800000121.6
364E27.3Very low27Very low182 Ų182132.6 Ų132.685%0.8575%0.754SS**  trans61.8145.9139.2-60-171.6168.900120.9
365T27.4Very low27Very low108 Ų108132.2 Ų132.266%0.66375%0.751SS**  cis-153.8156.24.1-4.90000113.1
366Q26.6Very low27.1Very low178 Ų178137.1 Ų137.183%0.83276%0.755SS**  trans62.6137.3163.3-55.2179.919.300116.7
367I28Very low26.7Very low151 Ų151138 Ų13877%0.77475%0.751SS**  cis-144.2167.744.4-78.6175.7000111.7
368S26.1Very low26.5Very low103 Ų103138 Ų13872%0.7275%0.751SS**  trans-53161.6172.851.40000115.2
369S26Very low26.6Very low105 Ų105139.2 Ų139.273%0.73476%0.758SS**  cis-168.6-171.3-7.144.60000107.1
370I28.3Very low26.5Very low145 Ų145136.6 Ų136.674%0.74475%0.753SS**  cis-143.2160.114.9-53.6167.1000108.1
371R22.7Very low26.3Very low228 Ų228136.8 Ų136.886%0.8675%0.754SS**  trans-126.3133.9167.7-161.8-178.2-160.9162.95.6109.8
372M26.9Very low26.3Very low161 Ų161141 Ų14179%0.79376%0.758SS**  trans-121.9107.3177.1-85.3-71.8-176.800110.8
373D22.5Very low26.2Very low141 Ų141143 Ų14375%0.75476%0.76SS**  trans-79.7144.1158.7-91.9-59.6000109.6
374Q28.6Very low26.2Very low169 Ų169144.4 Ų144.479%0.7977%0.765SS**  trans-135.394.7161.3-73.5-1622.700111.3
375S23.7Very low26.2Very low110 Ų110143.6 Ų143.677%0.76977%0.765SS**  trans-110114160.163.20000109.4
376Y30.7Very low26.3Very low208 Ų208143.7 Ų143.782%0.81677%0.766SS**  trans-116.4108.1170-98.2-81.1000110.7
377D22.4Very low26.5Very low128 Ų128142.3 Ų142.368%0.68476%0.764SS**  trans-134.1155.4156.5-135.2-31.5000106.1K864D377-K864 IonicContact OD2-NZ 3.1Å
378S25.2Very low26.6Very low101 Ų101142.1 Ų142.171%0.70676%0.764SS**  trans68.4119.2-173.676.60000118.4
379V27.8Very low26.7Very low136 Ų136142.4 Ų142.482%0.82477%0.766SS**  trans-131.2133142.4173.90000105.9
380V26Very low26.9Very low115 Ų115142.3 Ų142.370%0.69777%0.765SS**  trans-126.1143169173.40000107.5
381S23.1Very low27Very low86 Ų86139.6 Ų139.660%0.60177%0.765SS**  trans-44.3146.5176.2-175.60000114.4
382Y28.8Very low27.7Very low207 Ų207134.1 Ų134.181%0.81276%0.759SS**  trans-147.8139.7135.1-101.2-68.9000111.9
383D23.4Very low27.8Very low152 Ų152133.8 Ų133.881%0.81376%0.76SS**  trans-73.5159.2165.4-67.8-67.7000111.2
384S28.1Very low28Very low118 Ų118134 Ų13483%0.82576%0.76SS**  trans-120.2131.1-175-61.70000112.6
385I28.6Very low28.1Very low166 Ų166130.9 Ų130.985%0.85175%0.752SS**  trans-127.4122.1163.5-66.1-176.5000110.2
386T28.7Very low28.3Very low110 Ų110131.5 Ų131.568%0.67575%0.747SS**  trans-20.6145.8171.554.60000120.1
387N30.3Very low28.2Very low149 Ų149128.9 Ų128.980%0.79774%0.742SS**  -156.6155112.2-103.4-28.8000114.8
388N29.9Very low28.5Very low147 Ų147128.9 Ų128.979%0.78674%0.742SS**  trans-68.4167.1-172.2-41.8-55.9000112.9
389S28.5Very low28.5Very low109 Ų109129.5 Ų129.576%0.76274%0.742SS**  cis-151-160.612.859.20000108.9
390S30.8Very low28.5Very low102 Ų102134.1 Ų134.171%0.71375%0.746SS**  cis-161.7140.56.8-124.50000107.6
391A30.4Very low28.5Very low88 Ų88132.9 Ų132.973%0.72775%0.748SS**  95.1142.98100000114.9
392P38.2Very low28.7Very low114 Ų114138.8 Ų138.874%0.7476%0.762SS**  trans-141.6178.4-140.843-24.1000118.8
393L28.1Very low28.6Very low154 Ų154135 Ų13581%0.80676%0.761SS**  trans-146.9128.5157.5-72.6-178.3000108.8
394L26.7Very low28.8Very low144 Ų144136.8 Ų136.875%0.75476%0.762SS**  69.113780.1-82.776000113.8
395T30.1Very low28.5Very low104 Ų104139.1 Ų139.164%0.63876%0.764SS**  cis-165.4151.411.96.10000113
396N29Very low28.2Very low124 Ų124137 Ų13766%0.66376%0.759SS**  trans60.7158.2145.6-61.32.1000119.8
397H29Very low27.9Very low153 Ų153142.1 Ų142.171%0.70877%0.768SS**  cis-172.6164-12-99.5-33.2000107.2
398D27.5Very low27.6Very low127 Ų127146.8 Ų146.868%0.67977%0.774SS**  cis-167.1-178.3-30.8-137.4103.4000111.8
399T25.6Very low27.4Very low114 Ų114144.3 Ų144.370%0.69977%0.769SS**  trans54.7110.8167.756.50000121.4
400Y28.1Very low27.3Very low233 Ų233145.2 Ų145.291%0.91477%0.772SS**  -169.4170.4103.7-122.9-97.5000112
401A24.7Very low27.1Very low89 Ų89148.9 Ų148.974%0.73678%0.777SS**  trans-91.3137.1-159.400000117.3
402K28Very low27Very low210 Ų210153.4 Ų153.491%0.91378%0.781SS**  trans-156.6159.4135.5-115.9168.9-174.4175.10112.4
403T27.9Very low26.6Very low127 Ų127156.2 Ų156.278%0.77979%0.788SS**  trans-93.3147-156.647.50000116.5
404K25.9Very low26.5Very low190 Ų190156.6 Ų156.683%0.82679%0.786SS**  trans61.397.2160.9-66179.8178-179.90115.9
405L23.6Very low26.5Very low167 Ų167158.8 Ų158.887%0.87479%0.789SS**  77.599.377.3-81.4163.8000114.6
406T20.6Very low26.4Very low123 Ų123162.4 Ų162.476%0.75580%0.801SS**  trans-105138.2167.336.20000110.7
407Y22.3Very low26.3Very low216 Ų216165.7 Ų165.785%0.84781%0.812SS**  trans61.1147.7173.1-75.3-86.9000119.1
408W23.9Very low26.1Very low248 Ų248166.9 Ų166.994%0.93982%0.819SS**  -156.3154124.1-100.611.7000111.2
409S25.9Very low26.1Very low95 Ų95170.7 Ų170.766%0.66483%0.829SS**  trans-94144.4-175.2175.80000111.5H411S409-H411 PolarHBondContact O-N 2.9Å
410P27.5Very low26Very low128 Ų128173.5 Ų173.583%0.83184%0.839SS**SBendtrans-77.960.5-174.833.8-38.1000113.7
411H26.1Very low25.8Very low178 Ų178170.3 Ų170.382%0.82483%0.832SS**  trans-112.911.1172.4-150.2-64.9000113.7S409S409-H411 PolarHBondContact O-N 2.9Å
412F29.2Very low25.9Very low184 Ų184172.7 Ų172.781%0.80783%0.829SS**  trans-97.4-6.9179-153.8-106.7000114.2H414F412-H414 PolarHBondContact O-N 2.78Å
413L29Very low25.7Very low172 Ų172168.8 Ų168.890%0.90182%0.819SS**  trans-86.341.2-174.4-112.9170000114.2
414H26.7Very low25.6Very low162 Ų162170.1 Ų170.175%0.7582%0.82SS**  trans-130.454.4175.8-166.9-83.5000112.3F412F412-H414 PolarHBondContact O-N 2.78Å
415K26.7Very low25.6Very low191 Ų191167.8 Ų167.883%0.8381%0.814SS**SBendtrans-147.516.2175.5-134175.8-176.3179.80117.3
416M26.3Very low25.7Very low179 Ų179166.6 Ų166.688%0.88281%0.809SS**SBendtrans-135.23.2-177.3-94.9-66.4-91.700117.3
417Q27.6Very low25.8Very low193 Ų193165.9 Ų165.990%0.90281%0.808SS**SBendtrans-14521.4-175.6-126.6171.623.300118.9
418Q25.2Very low26Very low179 Ų179161.6 Ų161.684%0.83681%0.805SS**SBendtrans-137.272.6160.8-75.2-162.2-1.700112
419K26.8Very low26.1Very low206 Ų206154.6 Ų154.690%0.89679%0.793SS**  trans-151.844.3160.6-140.3-179.9-174.6-173.70114.5
420L24.2Very low25.9Very low174 Ų174154.8 Ų154.891%0.91180%0.795SS**  trans-125.379164-80.1177.3000109.6
421H24Very low25.9Very low165 Ų165156.7 Ų156.776%0.76480%0.797SS**  trans-159.2136.4165.9-138.5-110.3000110.7
422M25.6Very low25.9Very low139 Ų139153.5 Ų153.569%0.68579%0.79SS**  trans67141175.3-42.4-49.5-113.800115.9
423N24.8Very low25.7Very low129 Ų129153.9 Ų153.969%0.6979%0.792SS**  cis-167.7142.7-11.4-111.8-6.8000109.4
424L26Very low25.5Very low155 Ų155157.7 Ų157.781%0.81279%0.794SS**  trans-161.8118.5151.3-141.670.9000113.9
425M26.3Very low25.3Very low140 Ų140158.6 Ų158.669%0.6980%0.796SS**  trans49.6134.6166.1-54.8-42.1127.300120.5
426N24.1Very low25.3Very low143 Ų143159.7 Ų159.777%0.76580%0.795SS**  cis76.7138.140.8-65.4-25.1000113.5
427S23.7Very low25.1Very low107 Ų107158.9 Ų158.975%0.74879%0.793SS**  cis-159.8-146.1-2.853.50000111.3
428V26.2Very low24.9Very low127 Ų127160.2 Ų160.277%0.7779%0.79SS**  trans82.689.7-176.4-174.10000113.8
429S26.5Very low25Very low100 Ų100157.7 Ų157.770%0.69978%0.782SS**  66.5135.373.1800000114.6
430S22.2Very low24.8Very low100 Ų100154.7 Ų154.770%0.69978%0.776SS**  cis163.2125.5-7.747.70000107.1
431L27.6Very low24.9Very low168 Ų168153.1 Ų153.188%0.8877%0.774SS**  trans-167.4101.8163.2-121.598.9000108
432T25.5Very low24.9Very low110 Ų110152.5 Ų152.568%0.67578%0.776SS**  74.4130.985.664.30000117.8
433K25.6Very low24.9Very low193 Ų193156 Ų15684%0.83979%0.788SS**  trans69.3148.2172.2-57174.2-178.9173.70113.7
434W24.7Very low24.8Very low252 Ų252156.1 Ų156.196%0.95579%0.793SS**  cis-110.4174.214.7-86.756.3000114.9
435K22.5Very low24.7Very low181 Ų181157 Ų15779%0.78780%0.798SS**  trans-155.1148.1-173.5-155.8-178.4-173.6172.40111.3
436R25.4Very low24.5Very low213 Ų213155 Ų15580%0.80480%0.798SS**  trans79.6119.1167.7-62.9-177.7168.1153.9-5.2119.5
437L21.6Very low24.4Very low163 Ų163153.6 Ų153.685%0.85379%0.794SS**  39.5125.6118.7-55.8161.2000119.4
438R25.3Very low24.3Very low220 Ų220153.9 Ų153.983%0.8380%0.795SS**  -173.4132.198.9-172.6167.8-69.2-170.5-0.8113.5
439D25.5Very low24Very low126 Ų126156 Ų15667%0.67480%0.801SS**  trans45.5152.8153-47.9-15.7000124.7
440N24Very low24.1Very low144 Ų144157.6 Ų157.677%0.7781%0.807SS**  trans53.2105154.4-59.6-17.9000118.5
441T26.7Very low24.3Very low141 Ų141158.9 Ų158.987%0.86581%0.813SS**  -166.9171.973.625.60000112.8
442N22.2Very low24.2Very low151 Ų151156 Ų15681%0.80781%0.807SS**  trans-68137.8-175.2-54.8-47.4000113.7
443F26.2Very low24.2Very low213 Ų213159 Ų15993%0.93481%0.81SS**  trans-152.6107.2138.7-110.3-70.5000111.1
444T22.3Very low24.2Very low131 Ų131154.9 Ų154.980%0.80480%0.797SS**  trans-90.7144.4171.344.20000110.3
445L24.9Very low24.4Very low175 Ų175151 Ų15192%0.91679%0.788SS**  trans-149.3104.8165.7-143.8162.5000110.1
446S21.7Very low24.7Very low98 Ų98148 Ų14869%0.68578%0.78SS**  trans-136.2126.8178.8-162.90000111.3
447T22.3Very low24.9Very low112 Ų112145.2 Ų145.269%0.68778%0.776SS**  trans38.8115.8144.157.60000121
448C20.5Very low25.3Very low114 Ų114143.3 Ų143.377%0.7777%0.771SS**  84.6123129.7-660000121.9
449L21.9Very low25.7Very low170 Ų170138 Ų13889%0.8976%0.763SS**  trans78.4153143.7-65.1167.6000119.3
450V26.8Very low26.8Very low135 Ų135137.4 Ų137.482%0.81877%0.766SS**  trans-106.3138.1-168.9174.80000109.9
451P28.3Very low28.1Very low127 Ų127135.9 Ų135.983%0.82576%0.764SS**  -134.4173.6123.835.6-23.3000112.7
452S24Very low29.3Very low107 Ų107134.3 Ų134.375%0.74876%0.756SS**  trans-113.5153.2-17142.50000113.7
453K26.6Very low30.1Very low174 Ų174132.7 Ų132.776%0.75775%0.752SS**  trans174.2130.5130.2-96.7178.2158.7-86.70115.4
454D25.2Very low30.6Very low105 Ų105128.3 Ų128.356%0.56174%0.743SS**  trans61.4147.3132.3-42.8-18.8000124.9
455F29.3Very low31.2Very low172 Ų172126.9 Ų126.975%0.75473%0.734SS**  trans78103.3160-66.7-73.6000123.3
456N27.9Very low31.8Very low118 Ų118124.3 Ų124.363%0.63173%0.726SS**  47.7148.7108.5-61.614.4000120.9
457H28.9Very low32.4Very low153 Ų153124.9 Ų124.971%0.70873%0.725SS**  cis-162.8166.65.6-108.9-36000110.4
458T30.4Very low32.9Very low123 Ų123125.3 Ų125.376%0.75573%0.728SS**  trans159112.8140.4-67.90000108.1
459T33.9Very low33.4Very low109 Ų109125.5 Ų125.567%0.66973%0.726SS**  cis70.3159.746.368.80000115
460P48.1Very low33.8Very low113 Ų113123.2 Ų123.273%0.73472%0.719SS**  cis-130.3-129-6.325.52.2000113.7
461P51.2Low34Very low112 Ų112121.6 Ų121.673%0.72771%0.714SS**  -129.9-147.3-96.446.1-28.3000112.7
462P53.4Low34.1Very low108 Ų108122.8 Ų122.870%0.70171%0.712SS**  cis-127.8-163.9-15.342.8-24.1000112.5
463T38.3Very low34.5Very low117 Ų117122.8 Ų122.872%0.71871%0.712SS**  cis-148.1-156.7-5.4-10.60000106.1
464T36.8Very low34.8Very low122 Ų122119.6 Ų119.675%0.74871%0.712SS**  cis-142.1-154.4-1.9-3.80000109.8
465T35.9Very low35.1Very low101 Ų101118.7 Ų118.762%0.6271%0.713SS**  -158135.9-128.441.60000117.9
466T35.7Very low35.2Very low120 Ų120117.2 Ų117.274%0.73671%0.713SS**  trans69.6153.6134.961.40000120.7
467T34.9Very low35.3Very low110 Ų110118.6 Ų118.668%0.67572%0.721SS**  cis-172160.4-2.319.90000114.6
468T32.2Very low35.4Very low121 Ų121119.3 Ų119.374%0.74272%0.724SS**  trans65150.7146.152.40000121.2
469T32.4Very low35.1Very low118 Ų118120 Ų12072%0.72472%0.721SS**  cis-162.41591.670000114.9
470T30.8Very low34.8Very low122 Ų122122.9 Ų122.975%0.74873%0.726SS**  trans66108.814850.50000126.1
471S29Very low33.6Very low101 Ų101122.3 Ų122.371%0.70673%0.725SS**  64.6125.9124.968.90000125.9
472I32.1Very low32.2Very low152 Ų152122.5 Ų122.578%0.77973%0.728SS**  165.6132.9116.4-85.9161.8000111.6
473S30.9Very low30.7Very low108 Ų108121.8 Ų121.876%0.75573%0.725SS**  trans50.3143.2169.459.20000119.6
474S32.8Very low29.9Very low107 Ų107125.8 Ų125.875%0.74873%0.733SS**  cis-170.1-170.6-12.3540000106.2
475S32.7Very low29.2Very low85 Ų85126.9 Ų126.959%0.59473%0.733SS**  cis-153.71776.5-290000110.5
476D31.6Very low28.6Very low141 Ų141129.9 Ų129.975%0.75474%0.744SS**  trans33.5131.4142.1-35.7-20.8000120.7
477D30.4Very low28.1Very low148 Ų148129.1 Ų129.179%0.79174%0.743SS**  cis-159178-1.9-126.7-19.6000115.3
478E29.4Very low27.8Very low168 Ų168128.6 Ų128.679%0.78575%0.745SS**  trans-59.4-177.6-169.3-61.7-173.1135.500118.7
479M25.6Very low27.6Very low137 Ų137132.3 Ų132.368%0.67575%0.75SS**  cis160.3137.9-44-168.3169.868.200110.1
480H27.4Very low27.1Very low170 Ų170134 Ų13479%0.78776%0.755SS**  trans72.6172.5162.1-75.2-24.6000122.6
481S22.1Very low27.3Very low100 Ų100132.9 Ų132.970%0.69975%0.75SS**  trans-156.7141.1-158.157.10000111.8
482C21.6Very low27.5Very low117 Ų117135 Ų13579%0.79175%0.751SS**  trans166.6121.5130.4-92.50000116.3
483S21.9Very low27.3Very low93 Ų93133.5 Ų133.565%0.6575%0.745SS**  trans67.4122.1132.869.90000124.8
484F21.3Very low27.1Very low200 Ų200135.2 Ų135.288%0.87775%0.746SS**  trans66.1151.9154.7-56.5-64.1000118
485I23.7Very low26.7Very low146 Ų146135.2 Ų135.275%0.74975%0.746SS**  cis-142.3153.330.1-79.4179.1000113.1
486L22.4Very low26.2Very low164 Ų164136 Ų13686%0.85975%0.751SS**  trans11.1138.6159.3-59.4164.6000122.4
487S25.7Very low25.9Very low103 Ų103135.8 Ų135.872%0.7275%0.749SS**  167.3128.398.5-172.20000116.4
488S27.1Very low25.6Very low100 Ų100136 Ų13670%0.69975%0.746SS**  trans60.7143.915583.90000119.3
489K29.3Very low25.5Very low198 Ų198135 Ų13586%0.86175%0.745SS**  cis-143.215715-69.9178.6178174.90112.4
490N22.1Very low25.4Very low155 Ų155132.4 Ų132.483%0.82974%0.741SS**  trans-107.2-176.1161.8-114.3-6.3000108.1
491P34.8Very low25.2Very low97 Ų97131 Ų13163%0.6374%0.74SS**  cis-135.9-170.8-13.7250.1000113.6
492I31.8Very low25.3Very low145 Ų145133 Ų13374%0.74474%0.742SS**  146.6107.7126.7-72.8170.6000112.8
493N29.3Very low25.4Very low121 Ų121135.3 Ų135.365%0.64774%0.74SS**  trans21.3147.9134-55.461.2000120.7
494D27.1Very low25.7Very low145 Ų145140.6 Ų140.678%0.77575%0.752SS**  cis-164.6153.3-7.8-103.4-23.7000109.7
495S22.8Very low25.7Very low107 Ų107138.7 Ų138.775%0.74875%0.751SS**  trans-148.6110163.954.20000114.5
496S22.9Very low25.9Very low100 Ų100142.7 Ų142.770%0.69976%0.757SS**  trans49.6143.3138.166.50000123.4
497L26Very low26Very low138 Ų138142.1 Ų142.172%0.72375%0.748SS**  trans81.9124.8150.3-70.1156.6000120.3
498Q23.8Very low26Very low153 Ų153144.6 Ų144.672%0.71575%0.751SS**  trans30.1120.2133.8-58.5173.6-1.800117.3
499N25.9Very low25.8Very low145 Ų145144.5 Ų144.578%0.77575%0.75SS**  -163.7173.674.6-108.4-63.6000116.8
500S23.5Very low25.8Very low83 Ų83141.4 Ų141.458%0.5874%0.742SS**  trans-42.9162.9177.764.50000119.3
501N23.3Very low25.9Very low142 Ų142140.8 Ų140.876%0.75974%0.739SS**  104.6140.8128.3-93.3-38.2000121.7
502L25.1Very low25.5Very low142 Ų142143.5 Ų143.574%0.74375%0.748SS**  trans90.6121.5152.9-66.6155.2000121.7
503H23.7Very low25.4Very low165 Ų165145.4 Ų145.476%0.76475%0.753SS**  trans26.1113.5144.7-74.6-66.6000120.2
504F27.8Very low25.1Very low203 Ų203144.9 Ų144.989%0.8976%0.759SS**  trans-117.3108.2141.8-101.1-91000111.8
505N22.6Very low25.1Very low161 Ų161144.9 Ų144.986%0.86176%0.764SS**  trans-15394.1158.9-144.6-10.5000106.7
506R27.6Very low25.1Very low229 Ų229145.3 Ų145.386%0.86476%0.762SS**  trans-142.4126.4-175.2-158.8168.4-169.6146.12111.7
507F23.4Very low25.4Very low153 Ų153147.5 Ų147.567%0.67176%0.764SS**  trans-62.1145.6175.5-68.3-99000111.6Q609F507-Q609 HydrophobicContact CE1-CB 4.2Å; F507-Q609 HydrophobicContact CE1-CG 4.34Å
508I27.1Very low25.4Very low154 Ų154147.1 Ų147.179%0.7976%0.763SS**  trans-108.4116.9154.6-65.9178.6000107.6I510I508-I510 HydrophobicContact CG2-CD1 4.22Å; I508-I510 HydrophobicContact CG2-CG1 3.91Å
509S21.8Very low25.5Very low98 Ų98146.1 Ų146.169%0.68576%0.763SS**  trans-115.2120164.6550000107.7
510I29Very low25.7Very low134 Ų134146.1 Ų146.169%0.68776%0.758SS**PPolyproline II helixtrans-100.6128.3173.2-64.4172.5000107.8I508I508-I510 HydrophobicContact CG2-CD1 4.22Å; I508-I510 HydrophobicContact CG2-CG1 3.91Å
511N25Very low25.8Very low142 Ų142150.7 Ų150.776%0.75977%0.767SS**PPolyproline II helixtrans-94.2128.5165.5-74.8-14.9000107.8
512D26.7Very low26Very low153 Ų153149.1 Ų149.182%0.81877%0.768SS**PPolyproline II helixtrans-93.3126.8164.5-67.5-47.4000109.6
513H28.8Very low25.9Very low185 Ų185149.2 Ų149.286%0.85677%0.769SS**  trans-115.2134.3160.2-90.1-70.3000109
514S23.5Very low26.2Very low111 Ų111149.2 Ų149.278%0.77677%0.774SS**  trans-86.3138.4-173.353.80000113.7
515V26.2Very low26.1Very low144 Ų144148.1 Ų148.187%0.87377%0.771SS**  trans-144.1144.4139.7173.60000109
516T22.6Very low26.4Very low116 Ų116145 Ų14571%0.71276%0.762SS**  trans-101.4157.8177.2470000112.2
517I29.6Very low26.2Very low146 Ų146145.3 Ų145.375%0.74976%0.763SS**  178.3121.7123-92.8156.5000113.2
518N25.8Very low26.3Very low130 Ų130145.8 Ų145.870%0.69577%0.772SS**  trans48.6139.8141.7-54.3-1.1000125.5
519N26.6Very low26.3Very low132 Ų132144.2 Ų144.271%0.70677%0.774SS**  trans70.2147.4148.6-67.425.4000118.6
520E28.9Very low26.5Very low146 Ų146144.7 Ų144.768%0.68278%0.778SS**  cis-148-162.92-134.5168.6-89.800114.2
521K25.8Very low26.4Very low178 Ų178143.7 Ų143.777%0.77478%0.78SS**  trans-54.2165.2179.3-61.8155.4-173.1152.40113.7
522S28.3Very low26.4Very low109 Ų109141.6 Ų141.676%0.76278%0.777SS**  cis-157.3170.812.625.50000112.4
523D24Very low26.7Very low145 Ų145140.3 Ų140.378%0.77578%0.777SS**  trans-26.2125.3173.7-55.6-82.7000119.5
524L28Very low26.8Very low164 Ų164138.9 Ų138.986%0.85977%0.774SS**  trans-158.389.3145-117.4170.9000110.8S526L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 2.81Å
525H26.2Very low27.3Very low181 Ų181141.1 Ų141.184%0.83877%0.772SS**  trans-81.266.2-175-100.5-47.8000113.9
526S29.3Very low28.1Very low96 Ų96145 Ų14567%0.67177%0.773SS**  trans-79.1118.3164.953.20000110.7L524 L528L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 2.81Å; S526-L528 PolarHBondContact O-N 3.32Å
527R24.2Very low29.6Very low235 Ų235144.4 Ų144.489%0.88777%0.765SS**  trans-84.476.1-175-66.7-171.7-177.3-163.42.3112.8
528L25Very low31.2Very low163 Ų163142.7 Ų142.785%0.85375%0.752SS**  trans-126.667.4161.8-77.497.7000111.1S526S526-L528 PolarHBondContact O-N 3.32Å
529S27.4Very low33.6Very low120 Ų120138 Ų13884%0.83973%0.729SS**  trans-81.8113.1168.5-55.10000109.8
530S24.7Very low36.4Very low109 Ų109131.8 Ų131.876%0.76270%0.695SS**PPolyproline II helixtrans-64.9139.6172.9450000111.2S532S530-S532 PolarHBondContact O-N 3.16Å
531P27.9Very low39.1Very low112 Ų112124.9 Ų124.973%0.72766%0.663SS**PPolyproline II helixtrans-76.7116.1178.529.8-32.8000110.3
532S25.7Very low42.1Very low99 Ų99116.6 Ų116.669%0.69263%0.627SS**PPolyproline II helixtrans-68.9125.2169.242.40000109.9S530 L534S530-S532 PolarHBondContact O-N 3.16Å; S532-L534 PolarHBondContact O-N 3.2Å
533P31.4Very low45Very low126 Ų126111.4 Ų111.482%0.81859%0.591SS**SBendtrans-81.255.4-168.133.1-37.4000113.5
534L32.1Very low48.1Very low155 Ų155104.8 Ų104.881%0.81256%0.556SS**  trans-122.954.4163-76.7174.5000109.8S532 Y536S532-L534 PolarHBondContact O-N 3.2Å; L534-Y536 PolarHBondContact O-N 2.99Å
535H33.7Very low51Low158 Ų15897 Ų9773%0.73152%0.515SS*.  trans-51.7134.6161.4-99.5-100.7000109.2L537H535-L537 VanDerWaalsContact C-N 3.33Å; H535-L537 PolarHBondContact O-N 2.94Å
536Y43.2Very low54Low224 Ų22491.2 Ų91.288%0.87849%0.486SS*.  trans-63.190.3-177.5-74-96.9000111L534 K538L534-Y536 PolarHBondContact O-N 2.99Å; Y536-K538 PolarHBondContact O-N 3.18Å; Y536-K538 VanDerWaalsContact O-N 3.13Å
537L54.1Low56.7Low104 Ų10487.6 Ų87.655%0.54546%0.459SS..PPolyproline II helixtrans-52.3116.4-178.2-66.2-172.6000110.2H535 I559 H890H535-L537 VanDerWaalsContact C-N 3.33Å; H535-L537 PolarHBondContact O-N 2.94Å; L537-I559 HydrophobicContact CB-CD1 3.77Å; L537-I559 HydrophobicContact CD1-CD1 4.46Å; L537-H890 WeakPolarHBondContact CA-NE2 3.46Å; L537-H890 VanDerWaalsContact CB-NE2 3.31Å; L537-H890 WeakPolarHBondContact CB-NE2 3.37Å; L537-H890 WeakPolarHBondContact CD2-NE2 3.4Å
538K63.8Low59.4Low110 Ų11078.3 Ų78.348%0.47843%0.429SS..PPolyproline II helixtrans-62.3136.8-175.9-70.8-177.1-176173.40109.6Y536 I559 N887 E889 H890Y536-K538 PolarHBondContact O-N 3.18Å; Y536-K538 VanDerWaalsContact O-N 3.13Å; K538-I559 WeakPolarHBondContact O-CD1 3.24Å; K538-N887 WeakPolarHBondContact CB-ND2 3.49Å; K538-E889 IonicContact NZ-OE2 2.63Å; K538-E889 PolarHBondContact NZ-OE2 3.19Å; K538-H890 PolarHBondContact N-CD2 2.93Å; K538-H890 PolarHBondContact N-NE2 3.18Å; K538-H890 PolarHBondContact O-CD2 2.91Å
539P75.8Confident62.1Low33 Ų3376.9 Ų76.921%0.21442%0.418CS..PPolyproline II helixtrans-53.9143175.216.8-29.1000113.9W556 Y557 N887P539-W556 HydrophobicContact CB-CB 3.71Å; P539-W556 HydrophobicContact CB-CE3 3.99Å; P539-W556 HydrophobicContact CB-CG 4.49Å; P539-W556 HydrophobicContact CG-CB 3.39Å; P539-W556 HydrophobicContact CG-CD2 3.86Å; P539-W556 HydrophobicContact CG-CE3 3.62Å; P539-W556 HydrophobicContact CG-CG 3.85Å; P539-Y557 CarbonylContact C-O 3.32Å; P539-Y557 WeakPolarHBondContact CA-O 3.23Å; P539-Y557 WeakPolarHBondContact CB-O 3.48Å; P539-N887 WeakPolarHBondContact O-CB 3.31Å; P539-N887 PolarHBondContact O-ND2 3.38Å
540W84.8Confident64.5Low1 Ų174.6 Ų74.60%0.00439%0.394CS..SBendtrans-76.7-26.7-173.473.8-96.4000113.6Y557 I559 N561 L718 L720 V726 I886 N887W540-Y557 PolarHBondContact N-O 2.98Å; W540-I559 HydrophobicContact CB-CG1 4.41Å; W540-N561 PolarHBondContact NE1-O 2.84Å; W540-L718 HydrophobicContact CH2-CB 4.47Å; W540-L720 HydrophobicContact CB-CD2 4.28Å; W540-L720 HydrophobicContact CD2-CB 4.46Å; W540-L720 HydrophobicContact CD2-CD2 3.77Å; W540-L720 HydrophobicContact CE3-CD2 4.13Å; W540-L720 HydrophobicContact CG-CD2 3.85Å; W540-L720 HydrophobicContact CH2-CB 4.11Å; W540-L720 HydrophobicContact CZ2-CB 4.01Å; W540-L720 HydrophobicContact CZ3-CB 4.37Å; W540-V726 HydrophobicContact CH2-CG1 4.06Å; W540-V726 HydrophobicContact CH2-CG2 4.42Å; W540-V726 HydrophobicContact CZ3-CG1 4.12Å; W540-V726 HydrophobicContact CZ3-CG2 3.79Å; W540-I886 HydrophobicContact CE3-CD1 4.33Å; W540-I886 HydrophobicContact CZ3-CD1 3.96Å; W540-N887 WeakPolarHBondContact O-CB 3.47Å; W540-N887 PolarHBondContact O-N 2.84Å
541A86.4Confident67.3Low0 Ų072 Ų720%037%0.37CS..EExtended strand (participates in β ladder)trans-133.4144.4175.900000111.9W556 Y557 V884 W885A541-W556 CarbonylContact O-C 3.55Å; A541-W556 VanDerWaalsContact O-CA 3.27Å; A541-W556 WeakPolarHBondContact O-CA 3.29Å; A541-Y557 PolarHBondContact O-N 3.03Å; A541-V884 HydrophobicContact CB-CG1 4.24Å; A541-W885 WeakPolarHBondContact CA-O 3.36Å
542N87.2Confident69.9Low5 Ų566.8 Ų66.83%0.02734%0.336CS..EExtended strand (participates in β ladder)trans-109.1132158.7-171.122.4000108.4R555 W556 V884 W885N542-R555 PolarHBondContact OD1-O 3.31Å; N542-W556 HydrophobicContact CB-CD2 3.47Å; N542-W556 VanDerWaalsContact CB-CD2 3.47Å; N542-W556 HydrophobicContact CB-CE3 3.57Å; N542-W556 HydrophobicContact CB-CG 4.09Å; N542-W556 HydrophobicContact CB-CH2 3.91Å; N542-W556 HydrophobicContact CB-CZ2 3.81Å; N542-W556 HydrophobicContact CB-CZ3 3.79Å; N542-V884 WeakPolarHBondContact O-CA 3.32Å; N542-W885 HydrophobicContact CB-CB 4.15Å; N542-W885 PolarHBondContact N-O 2.75Å; N542-W885 PolarHBondContact O-N 2.63Å
543I89.6Confident72.4Confident0 Ų062 Ų620%030%0.303CS..EExtended strand (participates in β ladder)trans-114.1117.1173-57.1-163.9000109R554 R555 Y557 L564 I566 L615 L718 L882 E883 V884I543-R554 CarbonylContact O-C 3.51Å; I543-R554 WeakPolarHBondContact O-CA 3.45Å; I543-R554 WeakPolarHBondContact O-CB 3.33Å; I543-R555 PolarHBondContact N-O 3.1Å; I543-R555 PolarHBondContact O-N 3.3Å; I543-Y557 HydrophobicContact CB-CE2 4.25Å; I543-Y557 HydrophobicContact CD1-CE2 4.41Å; I543-Y557 HydrophobicContact CG1-CD2 4.37Å; I543-Y557 HydrophobicContact CG1-CE2 4.12Å; I543-L564 HydrophobicContact CD1-CD2 3.49Å; I543-L564 VanDerWaalsContact CD1-CD2 3.49Å; I543-L564 HydrophobicContact CD1-CG 4.39Å; I543-L564 HydrophobicContact CG1-CD2 4.3Å; I543-I566 HydrophobicContact CD1-CD1 3.48Å; I543-I566 VanDerWaalsContact CD1-CD1 3.48Å; I543-I566 HydrophobicContact CD1-CG1 4.37Å; I543-L615 HydrophobicContact CG2-CD2 4.38Å; I543-L718 HydrophobicContact CD1-CD1 3.77Å; I543-L882 HydrophobicContact CG2-CD2 3.8Å; I543-E883 WeakPolarHBondContact CA-O 3.46Å; I543-V884 HydrophobicContact CD1-CG1 4.5Å; I543-V884 HydrophobicContact CD1-CG2 4.08Å; I543-V884 HydrophobicContact CG1-CG1 4.26Å; I543-V884 HydrophobicContact CG1-CG2 4.17Å
544S89.3Confident74.9Confident6 Ų663.3 Ų63.34%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-92.1140.4163-79.60000109.7H551 G553 R554 L882 E883S544-H551 WeakPolarHBondContact CA-NE2 3.19Å; S544-H551 WeakPolarHBondContact CB-NE2 3.38Å; S544-H551 PolarHBondContact OG-NE2 3.11Å; S544-G553 WeakPolarHBondContact CA-O 3.48Å; S544-R554 WeakPolarHBondContact OG-CB 3.13Å; S544-L882 WeakPolarHBondContact O-CA 3.06Å; S544-E883 PolarHBondContact N-O 3.45Å; S544-E883 PolarHBondContact O-N 3.28Å
545Y90.3Very high77.3Confident0 Ų061.1 Ų61.10%027%0.272CS..EExtended strand (participates in β ladder)trans-115.4138.6169.4173.1-120.4000110.2V552 G553 L617 L620 Y621 C708 A880 R881 L882Y545-V552 HydrophobicContact CD1-CB 3.52Å; Y545-V552 HydrophobicContact CD1-CG1 3.53Å; Y545-V552 HydrophobicContact CD1-CG2 4Å; Y545-V552 HydrophobicContact CE1-CB 3.79Å; Y545-V552 HydrophobicContact CE1-CG1 3.73Å; Y545-V552 HydrophobicContact CE1-CG2 3.77Å; Y545-V552 HydrophobicContact CG-CB 4.43Å; Y545-V552 PolarHBondContact O-N 3.48Å; Y545-G553 PolarHBondContact N-O 2.92Å; Y545-L617 HydrophobicContact CD1-CD2 4.31Å; Y545-L617 HydrophobicContact CD2-CD2 4.14Å; Y545-L617 HydrophobicContact CG-CD2 4.01Å; Y545-L620 HydrophobicContact CG-CD1 4.42Å; Y545-Y621 HydrophobicContact CD1-CE2 4.46Å; Y545-Y621 HydrophobicContact CE1-CD2 4.42Å; Y545-Y621 AromaticContact CE1-CE2 3.59Å; Y545-Y621 HydrophobicContact CE1-CE2 3.59Å; Y545-Y621 AromaticContact CE1-CZ 3.66Å; Y545-Y621 WeakPolarHBondContact CE1-OH 3.4Å; Y545-Y621 PolarHBondContact OH-OH 3.04Å; Y545-C708 PolarHBondContact OH-SG 2.79Å; Y545-A880 HydrophobicContact CE2-CB 4.19Å; Y545-R881 VanDerWaalsContact CD2-O 3.29Å; Y545-R881 WeakPolarHBondContact CD2-O 3.41Å; Y545-L882 HydrophobicContact CD2-CD2 3.71Å; Y545-L882 HydrophobicContact CD2-CG 4.22Å; Y545-L882 HydrophobicContact CG-CD2 4.05Å
546W88.8Confident79.5Confident60 Ų6059 Ų5923%0.22726%0.258CS..EExtended strand (participates in β ladder)trans-132.4140.9-177.7-6282.9000111H550 H551 R881 E883W546-H550 CarbonylContact C-O 3.59Å; W546-H550 VanDerWaalsContact CA-O 3.26Å; W546-H550 WeakPolarHBondContact CA-O 3.24Å; W546-H551 HydrophobicContact CD2-CB 4.06Å; W546-H551 AromaticContact CD2-CD2 3.89Å; W546-H551 AromaticContact CE2-CD2 3.59Å; W546-H551 HydrophobicContact CE3-CB 3.79Å; W546-H551 HydrophobicContact CH2-CB 4.03Å; W546-H551 HydrophobicContact CZ2-CB 4.29Å; W546-H551 AromaticContact CZ2-CD2 3.97Å; W546-H551 HydrophobicContact CZ3-CB 3.77Å; W546-H551 AromaticContact NE1-CD2 3.75Å; W546-R881 HydrophobicContact CB-CG 3.66Å; W546-R881 HydrophobicContact CG-CG 4.37Å; W546-R881 PolarHBondContact N-O 3.03Å; W546-R881 PolarHBondContact O-N 3.11Å; W546-E883 PolarHBondContact NE1-OE1 3.09Å; W546-E883 PolarHBondContact NE1-OE2 3.28Å
547E85.4Confident81Confident20 Ų2048.6 Ų48.69%0.09322%0.217CC..EExtended strand (participates in β ladder)trans-112.5105.4169.7-173.2170.1-166.400108.3H549 H550 V552 Y621 S697 S702 P879E547-H549 PolarHBondContact O-N 2.91Å; E547-H549 VanDerWaalsContact O-N 3.14Å; E547-H550 PolarHBondContact N-O 2.71Å; E547-H550 PolarHBondContact O-N 2.77Å; E547-V552 HydrophobicContact CB-CG2 3.83Å; E547-Y621 VanDerWaalsContact CD-OH 3.28Å; E547-Y621 WeakPolarHBondContact OE2-CE1 3.48Å; E547-Y621 PolarHBondContact OE2-OH 3.21Å; E547-S697 WeakPolarHBondContact OE2-CB 3.38Å; E547-S702 PolarHBondContact OE1-OG 2.83Å; E547-P879 CarbonylContact C-O 3.54Å; E547-P879 WeakPolarHBondContact CA-O 3.17Å
548S81.8Confident81.5Confident39 Ų3948.2 Ų48.227%0.27321%0.212SC..THydrogen-bonded Turntrans50.2-114.7-166.1-480000111.4P879 R881S548-P879 PolarHBondContact N-O 2.99Å; S548-R881 PolarHBondContact O-NE 3.46Å
549H80.4Confident81.2Confident133 Ų13344.4 Ų44.462%0.61620%0.197SC*.THydrogen-bonded Turntrans-89.1-4.2179-49.8-67000114.3E547E547-H549 PolarHBondContact O-N 2.91Å; E547-H549 VanDerWaalsContact O-N 3.14Å
550H79.1Confident80.5Confident72 Ų7247.3 Ų47.333%0.33321%0.214SC..EExtended strand (participates in β ladder)trans-96129-176.8-179.574.1000112.4W546 E547 V552 H695W546-H550 CarbonylContact C-O 3.59Å; W546-H550 VanDerWaalsContact CA-O 3.26Å; W546-H550 WeakPolarHBondContact CA-O 3.24Å; E547-H550 PolarHBondContact N-O 2.71Å; E547-H550 PolarHBondContact O-N 2.77Å; H550-V552 PolarHBondContact O-N 3.45Å; H550-H695 AromaticContact CD2-ND1 4Å; H550-H695 AromaticContact CE1-CD2 3.86Å; H550-H695 AromaticContact CE1-CE1 3.35Å; H550-H695 PolarHBondContact CE1-CE1 3.49Å; H550-H695 AromaticContact CE1-ND1 3.89Å; H550-H695 AromaticContact CE1-NE2 3.32Å; H550-H695 PolarHBondContact CE1-NE2 3.18Å; H550-H695 VanDerWaalsContact CE1-NE2 3.32Å; H550-H695 AromaticContact CG-CE1 3.81Å; H550-H695 AromaticContact ND1-CE1 3.37Å; H550-H695 PolarHBondContact ND1-CE1 3.48Å; H550-H695 AromaticContact ND1-NE2 3.72Å; H550-H695 AromaticContact NE2-CE1 3.78Å; H550-H695 AromaticContact NE2-ND1 3.86Å; H550-H695 AromaticContact NE2-NE2 3.92Å
551H83.6Confident79.5Confident56 Ų5648 Ų4826%0.25922%0.218SC..EExtended strand (participates in β ladder)trans-82.4106.3174.9-175.5-114.4000110.6S544 W546 G553 R554 N624S544-H551 WeakPolarHBondContact CA-NE2 3.19Å; S544-H551 WeakPolarHBondContact CB-NE2 3.38Å; S544-H551 PolarHBondContact OG-NE2 3.11Å; W546-H551 HydrophobicContact CD2-CB 4.06Å; W546-H551 AromaticContact CD2-CD2 3.89Å; W546-H551 AromaticContact CE2-CD2 3.59Å; W546-H551 HydrophobicContact CE3-CB 3.79Å; W546-H551 HydrophobicContact CH2-CB 4.03Å; W546-H551 HydrophobicContact CZ2-CB 4.29Å; W546-H551 AromaticContact CZ2-CD2 3.97Å; W546-H551 HydrophobicContact CZ3-CB 3.77Å; W546-H551 AromaticContact NE1-CD2 3.75Å; H551-G553 PolarHBondContact NE2-O 3.21Å; H551-R554 WeakPolarHBondContact CE1-CB 3.48Å; H551-R554 WeakPolarHBondContact CE1-CD 3.26Å; H551-R554 WeakPolarHBondContact CE1-CG 3.36Å; H551-R554 PolarHBondContact CE1-N 3.19Å; H551-R554 VanDerWaalsContact CE1-N 3.32Å; H551-R554 VanDerWaalsContact NE2-CB 3.25Å; H551-R554 WeakPolarHBondContact NE2-CB 3.5Å; H551-N624 PolarHBondContact O-ND2 3.12Å
552V81.5Confident79.1Confident1 Ų153.7 Ų53.71%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-78.9-26.6-173.3172.20000112.4Y545 E547 H550 Y621 N624Y545-V552 HydrophobicContact CD1-CB 3.52Å; Y545-V552 HydrophobicContact CD1-CG1 3.53Å; Y545-V552 HydrophobicContact CD1-CG2 4Å; Y545-V552 HydrophobicContact CE1-CB 3.79Å; Y545-V552 HydrophobicContact CE1-CG1 3.73Å; Y545-V552 HydrophobicContact CE1-CG2 3.77Å; Y545-V552 HydrophobicContact CG-CB 4.43Å; Y545-V552 PolarHBondContact O-N 3.48Å; E547-V552 HydrophobicContact CB-CG2 3.83Å; H550-V552 PolarHBondContact O-N 3.45Å; V552-Y621 HydrophobicContact CB-CD1 4.39Å; V552-Y621 HydrophobicContact CB-CE1 4.25Å; V552-Y621 HydrophobicContact CG1-CD1 3.3Å; V552-Y621 HydrophobicContact CG1-CD2 3.78Å; V552-Y621 HydrophobicContact CG1-CE1 3.5Å; V552-Y621 HydrophobicContact CG1-CE2 3.98Å; V552-Y621 HydrophobicContact CG1-CG 3.43Å; V552-Y621 VanDerWaalsContact CG1-CG 3.43Å; V552-Y621 HydrophobicContact CG2-CD1 4.21Å; V552-Y621 HydrophobicContact CG2-CE1 3.64Å; V552-N624 VanDerWaalsContact C-ND2 3.32Å; V552-N624 WeakPolarHBondContact O-CB 3.29Å; V552-N624 PolarHBondContact O-ND2 2.83Å
553G78.7Confident78.9Confident0 Ų054.5 Ų54.50%024%0.243CC..EExtended strand (participates in β ladder)trans160168.3178.500000112.7S544 Y545 H551S544-G553 WeakPolarHBondContact CA-O 3.48Å; Y545-G553 PolarHBondContact N-O 2.92Å; H551-G553 PolarHBondContact NE2-O 3.21Å
554R84.2Confident78.8Confident153 Ų15354.6 Ų54.658%0.57724%0.243SC*.EExtended strand (participates in β ladder)trans-145.2149.517570.5-174.5-175.9178.50113.5I543 S544 H551I543-R554 CarbonylContact O-C 3.51Å; I543-R554 WeakPolarHBondContact O-CA 3.45Å; I543-R554 WeakPolarHBondContact O-CB 3.33Å; S544-R554 WeakPolarHBondContact OG-CB 3.13Å; H551-R554 WeakPolarHBondContact CE1-CB 3.48Å; H551-R554 WeakPolarHBondContact CE1-CD 3.26Å; H551-R554 WeakPolarHBondContact CE1-CG 3.36Å; H551-R554 PolarHBondContact CE1-N 3.19Å; H551-R554 VanDerWaalsContact CE1-N 3.32Å; H551-R554 VanDerWaalsContact NE2-CB 3.25Å; H551-R554 WeakPolarHBondContact NE2-CB 3.5Å
555R82Confident78.6Confident109 Ų10954.6 Ų54.641%0.41124%0.243SC..EExtended strand (participates in β ladder)trans-147.2145179.8-174.4165.7-180166.33.5112.1N542 I543 Y557 L620N542-R555 PolarHBondContact OD1-O 3.31Å; I543-R555 PolarHBondContact N-O 3.1Å; I543-R555 PolarHBondContact O-N 3.3Å; R555-Y557 HydrophobicContact CB-CE2 4.11Å; R555-Y557 WeakPolarHBondContact CD-OH 3.37Å; R555-Y557 HydrophobicContact CG-CE1 4.21Å; R555-Y557 HydrophobicContact CG-CE2 4.13Å; R555-Y557 WeakPolarHBondContact O-CE2 3.09Å; R555-L620 HydrophobicContact CB-CD2 4.14Å
556W78.9Confident78.6Confident114 Ų11454.6 Ų54.643%0.43224%0.243SC..EExtended strand (participates in β ladder)trans-102.7154.9177.7-69.188.6000113.1P539 A541 N542 N887P539-W556 HydrophobicContact CB-CB 3.71Å; P539-W556 HydrophobicContact CB-CE3 3.99Å; P539-W556 HydrophobicContact CB-CG 4.49Å; P539-W556 HydrophobicContact CG-CB 3.39Å; P539-W556 HydrophobicContact CG-CD2 3.86Å; P539-W556 HydrophobicContact CG-CE3 3.62Å; P539-W556 HydrophobicContact CG-CG 3.85Å; A541-W556 CarbonylContact O-C 3.55Å; A541-W556 VanDerWaalsContact O-CA 3.27Å; A541-W556 WeakPolarHBondContact O-CA 3.29Å; N542-W556 HydrophobicContact CB-CD2 3.47Å; N542-W556 VanDerWaalsContact CB-CD2 3.47Å; N542-W556 HydrophobicContact CB-CE3 3.57Å; N542-W556 HydrophobicContact CB-CG 4.09Å; N542-W556 HydrophobicContact CB-CH2 3.91Å; N542-W556 HydrophobicContact CB-CZ2 3.81Å; N542-W556 HydrophobicContact CB-CZ3 3.79Å; W556-N887 HydrophobicContact CZ3-CB 4.26Å
557Y75.9Confident78.5Confident4 Ų451.9 Ų51.92%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-135.6129.1-172.8-60.3-81.6000114.3P539 W540 A541 I543 R555 L564 I613 L615P539-Y557 CarbonylContact C-O 3.32Å; P539-Y557 WeakPolarHBondContact CA-O 3.23Å; P539-Y557 WeakPolarHBondContact CB-O 3.48Å; W540-Y557 PolarHBondContact N-O 2.98Å; A541-Y557 PolarHBondContact O-N 3.03Å; I543-Y557 HydrophobicContact CB-CE2 4.25Å; I543-Y557 HydrophobicContact CD1-CE2 4.41Å; I543-Y557 HydrophobicContact CG1-CD2 4.37Å; I543-Y557 HydrophobicContact CG1-CE2 4.12Å; R555-Y557 HydrophobicContact CB-CE2 4.11Å; R555-Y557 WeakPolarHBondContact CD-OH 3.37Å; R555-Y557 HydrophobicContact CG-CE1 4.21Å; R555-Y557 HydrophobicContact CG-CE2 4.13Å; R555-Y557 WeakPolarHBondContact O-CE2 3.09Å; Y557-L564 HydrophobicContact CD1-CD1 3.78Å; Y557-L564 HydrophobicContact CD1-CD2 4.07Å; Y557-L564 HydrophobicContact CD2-CD1 4.48Å; Y557-L564 HydrophobicContact CD2-CD2 3.43Å; Y557-L564 VanDerWaalsContact CD2-CD2 3.43Å; Y557-L564 HydrophobicContact CE1-CD1 3.65Å; Y557-L564 HydrophobicContact CE1-CD2 4.35Å; Y557-L564 HydrophobicContact CE2-CD1 4.38Å; Y557-L564 HydrophobicContact CE2-CD2 3.76Å; Y557-L564 HydrophobicContact CG-CD1 4.2Å; Y557-L564 HydrophobicContact CG-CD2 3.61Å; Y557-I613 HydrophobicContact CD1-CB 4.43Å; Y557-I613 HydrophobicContact CD1-CD1 4.03Å; Y557-I613 HydrophobicContact CD1-CG2 3.79Å; Y557-I613 HydrophobicContact CE1-CG2 3.63Å; Y557-L615 VanDerWaalsContact OH-CD1 3.26Å; Y557-L615 WeakPolarHBondContact OH-CD1 3.43Å; Y557-L615 WeakPolarHBondContact OH-CD2 3.46Å
558Q65.1Low78.4Confident96 Ų9651.8 Ų51.845%0.44923%0.232SC..  trans-78.4157.2-174-70.3177-53.600113.8T560 N561Q558-T560 VanDerWaalsContact C-N 3.3Å; Q558-T560 PolarHBondContact O-N 3.29Å; Q558-N561 PolarHBondContact N-ND2 3.38Å; Q558-N561 WeakPolarHBondContact O-CB 3.13Å; Q558-N561 PolarHBondContact O-N 2.57Å; Q558-N561 PolarHBondContact O-ND2 3.35Å
559I56.1Low77.9Confident30 Ų3052.9 Ų52.915%0.15424%0.235CC..THydrogen-bonded Turntrans-61.5-31.2-173.6-46.990.5000113.5L537 K538 W540 N561 H890 V894L537-I559 HydrophobicContact CB-CD1 3.77Å; L537-I559 HydrophobicContact CD1-CD1 4.46Å; K538-I559 WeakPolarHBondContact O-CD1 3.24Å; W540-I559 HydrophobicContact CB-CG1 4.41Å; I559-N561 PolarHBondContact O-N 3.45Å; I559-H890 VanDerWaalsContact CD1-CE1 3.4Å; I559-H890 WeakPolarHBondContact CD1-CE1 3.35Å; I559-H890 WeakPolarHBondContact CG1-ND1 3.48Å; I559-V894 HydrophobicContact CG2-CG2 4.01Å
560T62.3Low76.8Confident95 Ų9550.3 Ų50.358%0.58323%0.225SC*.THydrogen-bonded Turntrans-55.9-22.6172.559.60000112.4Q558 R562 D611Q558-T560 VanDerWaalsContact C-N 3.3Å; Q558-T560 PolarHBondContact O-N 3.29Å; T560-R562 PolarHBondContact O-N 3.29Å; T560-D611 WeakPolarHBondContact O-CA 3.09Å; T560-D611 VanDerWaalsContact O-CB 3.24Å; T560-D611 WeakPolarHBondContact O-CB 3.42Å
561N63.9Low75.3Confident14 Ų1451.3 Ų51.38%0.07524%0.236CC..  trans-98.878.9-179.6-37-79.3000107.5W540 Q558 I559 K563 D611 I613W540-N561 PolarHBondContact NE1-O 2.84Å; Q558-N561 PolarHBondContact N-ND2 3.38Å; Q558-N561 WeakPolarHBondContact O-CB 3.13Å; Q558-N561 PolarHBondContact O-N 2.57Å; Q558-N561 PolarHBondContact O-ND2 3.35Å; I559-N561 PolarHBondContact O-N 3.45Å; N561-K563 PolarHBondContact O-N 3.44Å; N561-D611 CarbonylContact C-O 3.46Å; N561-D611 VanDerWaalsContact CA-O 3.23Å; N561-D611 WeakPolarHBondContact CA-O 3.42Å; N561-I613 HydrophobicContact CB-CB 4.42Å; N561-I613 HydrophobicContact CB-CD1 3.79Å; N561-I613 HydrophobicContact CB-CG1 3.85Å; N561-I613 WeakPolarHBondContact ND2-CD1 3.32Å; N561-I613 VanDerWaalsContact OD1-CD1 3.29Å; N561-I613 WeakPolarHBondContact OD1-CD1 3.44Å; N561-I613 WeakPolarHBondContact OD1-CG1 3.46Å
562R77.9Confident72.9Confident120 Ų12054.3 Ų54.345%0.45325%0.254SS..  trans-59.3-19.3173.6-65.9-175.8176.2-169.8-3112.1T560 D611 T719 L720T560-R562 PolarHBondContact O-N 3.29Å; R562-D611 HydrophobicContact CB-CB 4.06Å; R562-D611 VanDerWaalsContact CD-OD2 3.3Å; R562-D611 WeakPolarHBondContact CD-OD2 3.37Å; R562-D611 HydrophobicContact CG-CB 4.41Å; R562-D611 WeakPolarHBondContact CG-OD2 3.36Å; R562-D611 PolarHBondContact N-O 2.89Å; R562-D611 IonicContact NE-OD2 2.75Å; R562-T719 CarbonylContact O-C 3.36Å; R562-T719 WeakPolarHBondContact O-CA 3.25Å; R562-L720 PolarHBondContact O-N 3.27Å
563K82.2Confident70.5Confident23 Ų2360.6 Ų60.610%0.129%0.286CS..EExtended strand (participates in β ladder)trans-131.3135.5-179.6-170.5167.6166.2-154.70112.9I259 N561 N565 D611 D612 I613 S717 L718I259-K563 PolarHBondContact O-NZ 3.19Å; N561-K563 PolarHBondContact O-N 3.44Å; K563-N565 WeakPolarHBondContact CE-OD1 3.37Å; K563-D611 PolarHBondContact N-O 2.85Å; K563-D611 VanDerWaalsContact O-O 3.12Å; K563-D612 WeakPolarHBondContact CD-OD1 3.01Å; K563-D612 IonicContact NZ-OD2 3.97Å; K563-I613 PolarHBondContact O-N 3.01Å; K563-S717 WeakPolarHBondContact CE-OG 3.33Å; K563-S717 WeakPolarHBondContact CG-OG 3.42Å; K563-L718 WeakPolarHBondContact CA-O 3.1Å
564L86.7Confident68.1Low1 Ų166.5 Ų66.51%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-132.3106.4-176.7175.654.4000110.2I543 Y557 I566 I613 L615 S717 L718I543-L564 HydrophobicContact CD1-CD2 3.49Å; I543-L564 VanDerWaalsContact CD1-CD2 3.49Å; I543-L564 HydrophobicContact CD1-CG 4.39Å; I543-L564 HydrophobicContact CG1-CD2 4.3Å; Y557-L564 HydrophobicContact CD1-CD1 3.78Å; Y557-L564 HydrophobicContact CD1-CD2 4.07Å; Y557-L564 HydrophobicContact CD2-CD1 4.48Å; Y557-L564 HydrophobicContact CD2-CD2 3.43Å; Y557-L564 VanDerWaalsContact CD2-CD2 3.43Å; Y557-L564 HydrophobicContact CE1-CD1 3.65Å; Y557-L564 HydrophobicContact CE1-CD2 4.35Å; Y557-L564 HydrophobicContact CE2-CD1 4.38Å; Y557-L564 HydrophobicContact CE2-CD2 3.76Å; Y557-L564 HydrophobicContact CG-CD1 4.2Å; Y557-L564 HydrophobicContact CG-CD2 3.61Å; L564-I566 HydrophobicContact CG-CG1 4.35Å; L564-I613 HydrophobicContact CD1-CB 4.11Å; L564-I613 HydrophobicContact CD1-CG2 3.73Å; L564-L615 HydrophobicContact CD1-CB 4.21Å; L564-S717 WeakPolarHBondContact O-CA 3.48Å; L564-L718 HydrophobicContact CB-CB 4.45Å; L564-L718 PolarHBondContact N-O 2.93Å; L564-L718 PolarHBondContact O-N 2.93Å
565N86.4Confident65.3Low6 Ų664.1 Ų64.13%0.03232%0.317CS..EExtended strand (participates in β ladder)trans-92.4117.9179.8-52.5-63.1000109.5K563 D612 I613 Y614 L615 S717K563-N565 WeakPolarHBondContact CE-OD1 3.37Å; N565-D612 PolarHBondContact ND2-OD2 3.28Å; N565-I613 PolarHBondContact N-O 3.06Å; N565-Y614 HydrophobicContact CB-CD1 3.84Å; N565-Y614 HydrophobicContact CB-CE1 3.89Å; N565-Y614 HydrophobicContact CB-CG 4.37Å; N565-Y614 VanDerWaalsContact ND2-CZ 3.32Å; N565-Y614 CarbonylContact O-C 3.58Å; N565-Y614 WeakPolarHBondContact O-CA 3.32Å; N565-L615 PolarHBondContact O-N 3.17Å; N565-S717 PolarHBondContact OD1-OG 2.83Å
566I89.4Confident62.6Low0 Ų065.8 Ų65.80%033%0.334CS..EExtended strand (participates in β ladder)trans-106.2112.2-177.9-49.5176.6000108.9I543 L564 L615 L617 G715 I716 L718 L882I543-I566 HydrophobicContact CD1-CD1 3.48Å; I543-I566 VanDerWaalsContact CD1-CD1 3.48Å; I543-I566 HydrophobicContact CD1-CG1 4.37Å; L564-I566 HydrophobicContact CG-CG1 4.35Å; I566-L615 HydrophobicContact CG1-CD2 4.18Å; I566-L615 HydrophobicContact CG2-CD2 3.96Å; I566-L615 HydrophobicContact CG2-CG 4.27Å; I566-L617 HydrophobicContact CG2-CD2 3.86Å; I566-L617 HydrophobicContact CG2-CG 4.33Å; I566-G715 CarbonylContact O-C 3.56Å; I566-G715 WeakPolarHBondContact O-CA 3.2Å; I566-I716 HydrophobicContact CB-CG1 3.91Å; I566-I716 HydrophobicContact CD1-CD1 4.24Å; I566-I716 HydrophobicContact CD1-CG1 4.18Å; I566-I716 HydrophobicContact CG1-CG1 4.37Å; I566-I716 PolarHBondContact N-O 2.83Å; I566-I716 PolarHBondContact O-N 2.58Å; I566-L718 HydrophobicContact CD1-CD1 3.98Å; I566-L882 HydrophobicContact CD1-CD1 4.19Å; I566-L882 HydrophobicContact CG2-CD1 4.12Å
567V87.7Confident60.1Low4 Ų467 Ų672%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-129.2163.8-166.8-57.40000111.9L615 S616 L617 S713V567-L615 WeakPolarHBondContact CG2-O 3.5Å; V567-L615 PolarHBondContact N-O 2.67Å; V567-S616 CarbonylContact O-C 3.57Å; V567-S616 WeakPolarHBondContact O-CA 3.25Å; V567-L617 PolarHBondContact O-N 3.09Å; V567-S713 VanDerWaalsContact CG1-O 3.24Å; V567-S713 WeakPolarHBondContact CG1-O 3.37Å
568Y83.3Confident57.9Low18 Ų1876 Ų767%0.07139%0.39CS..  trans-117112.5166.4-172.5-85.3000109.9D570 L617 W705 C708 C709 G712 S713Y568-D570 HydrophobicContact CE1-CB 4.26Å; Y568-L617 HydrophobicContact CD2-CB 4.22Å; Y568-W705 PolarHBondContact OH-NE1 3.23Å; Y568-C708 WeakPolarHBondContact CB-O 3.43Å; Y568-C708 HydrophobicContact CD2-CB 3.67Å; Y568-C708 HydrophobicContact CE2-CB 4.01Å; Y568-C708 HydrophobicContact CG-CB 4.39Å; Y568-C708 VanDerWaalsContact CG-O 3.27Å; Y568-C709 HydrophobicContact CE1-CB 4.38Å; Y568-C709 WeakPolarHBondContact CE1-SG 3.35Å; Y568-C709 VanDerWaalsContact CZ-SG 3.56Å; Y568-G712 PolarHBondContact N-O 3Å; Y568-G712 CarbonylContact O-C 3.49Å; Y568-G712 WeakPolarHBondContact O-CA 3.28Å; Y568-S713 PolarHBondContact O-N 2.79Å
569N71Confident56Low62 Ų6278.4 Ų78.433%0.33241%0.406SS..  trans-118121.8171.7-72.5-19.9000108.8L618 S713N569-L618 VanDerWaalsContact O-CD2 3.31Å; N569-L618 WeakPolarHBondContact O-CD2 3.43Å; N569-S713 WeakPolarHBondContact OD1-CA 3.45Å; N569-S713 WeakPolarHBondContact OD1-CB 3.46Å; N569-S713 PolarHBondContact OD1-OG 3.26Å
570D56.4Low54.6Low78 Ų7884.5 Ų84.542%0.41744%0.44SS..  trans-80.5115169.1-157.8-11.9000107.8Y568Y568-D570 HydrophobicContact CE1-CB 4.26Å
571V47.4Very low52.9Low94 Ų9487 Ų8757%0.5745%0.45SS*.  trans-94-6.5-167.1177.80000112.3I573 L618V571-I573 VanDerWaalsContact C-N 3.27Å; V571-I573 PolarHBondContact O-N 2.95Å; V571-L618 HydrophobicContact CB-CD2 4.19Å; V571-L618 HydrophobicContact CG2-CD2 4.07Å
572N34.3Very low51.2Low118 Ų11894.1 Ų94.163%0.63149%0.487SS*.  trans-79.267.5-176.5-73.5-3.1000113.1
573I31.5Very low48.9Very low133 Ų13395.1 Ų95.168%0.68251%0.506SS*.  trans-102.583.8153.4-55.7-179.8000107.2V571 D575V571-I573 VanDerWaalsContact C-N 3.27Å; V571-I573 PolarHBondContact O-N 2.95Å; I573-D575 PolarHBondContact O-N 2.88Å
574N27.6Very low46.2Very low125 Ų125102.8 Ų102.867%0.66854%0.54SS*.  trans-7899.8169.2-79.2-8.4000108.6N576N574-N576 PolarHBondContact O-N 3.34Å
575D25.2Very low43.3Very low102 Ų102110 Ų11055%0.54558%0.578SS.*  trans-7341.9168.9-61.9-52.2000111.7I573 K598I573-D575 PolarHBondContact O-N 2.88Å; D575-K598 WeakPolarHBondContact OD2-CE 3.26Å; D575-K598 IonicContact OD2-NZ 3.91Å; D575-K598 PolarHBondContact OD2-NZ 3.08Å
576N26.2Very low40.4Very low144 Ų144119.1 Ų119.177%0.7762%0.618SS**  trans-131.530.5-167.6-99.213.3000113.2N574N574-N576 PolarHBondContact O-N 3.34Å
577D26.7Very low37.3Very low139 Ų139126.7 Ų126.774%0.74366%0.657SS**  trans-128.551.3170.2-85.9-55.1000111.7N579D577-N579 PolarHBondContact O-N 3.25Å; D577-N579 VanDerWaalsContact O-N 3.11Å
578H27.7Very low34.5Very low193 Ų193134.7 Ų134.789%0.89469%0.688SS**  trans-80.266.3160.6-92.5-12000110.5
579N26.2Very low31.6Very low147 Ų147140 Ų14079%0.78673%0.728SS**SBendtrans178.983152.4-92.9-22.1000111.1D577D577-N579 PolarHBondContact O-N 3.25Å; D577-N579 VanDerWaalsContact O-N 3.11Å
580N27.8Very low29.5Very low159 Ų159141.9 Ų141.985%0.8575%0.746SS**  trans-172.891.9148.4-96.2-31.4000110.1D582N580-D582 PolarHBondContact O-N 2.74Å
581N25.7Very low28.2Very low148 Ų148144.3 Ų144.379%0.79177%0.766SS**  trans-8295.6164.1-67-49.8000107.6
582D28.7Very low27.1Very low163 Ų163149.4 Ų149.487%0.87278%0.781SS**  trans-175.724.5152.7-95.7-15.7000115.8N580N580-D582 PolarHBondContact O-N 2.74Å
583V29.7Very low26.7Very low140 Ų140151.4 Ų151.485%0.84879%0.786SS**  trans-131.178.2163.6-1680000110.6
584K25.3Very low26.4Very low185 Ų185149.5 Ų149.580%0.80479%0.79SS**  trans-129.374.7168.7-81.5-177.9-179.9161.80111
585D26.1Very low26.2Very low152 Ų152152 Ų15281%0.81380%0.798SS**SBendtrans-166.2157.5139.5-103.2-28.7000110.7
586K24.1Very low26.3Very low197 Ų197154.2 Ų154.286%0.85781%0.808SS**SBendtrans65.781.6-179.4-52.3170.5-175172.70115.7
587L25.3Very low26.3Very low159 Ų159156 Ų15683%0.83281%0.811SS**SBend178.3122.3127.5-93.3161.4000111.7
588Y28.4Very low26.2Very low172 Ų172157.1 Ų157.168%0.67581%0.809SS**  trans42.9113.2164.2-72.7-83.1000122S590Y588-S590 PolarHBondContact O-N 3.26Å
589S22.5Very low26.1Very low131 Ų131156.3 Ų156.392%0.91680%0.803SS**  trans-42.9116.4155.6-53.80000112.8
590S26.9Very low26.1Very low100 Ų100156.2 Ų156.270%0.69980%0.803SS**  trans-126136.8170.8-62.60000109.5Y588Y588-S590 PolarHBondContact O-N 3.26Å
591P29.2Very low26.4Very low130 Ų130155.1 Ų155.184%0.84479%0.792SS**  trans-69.7137.7-170.226.5-34000112.7Q593P591-Q593 PolarHBondContact O-N 3.37Å
592K24.5Very low26.4Very low200 Ų200153.1 Ų153.187%0.8779%0.79SS**  trans-71.9121.2-174.1-67-179.5179.1178.20112.6
593Q26.1Very low26.3Very low161 Ų161151.8 Ų151.875%0.75278%0.783SS**  trans3888.9145.7-67.9174.5-3200117.3P591P591-Q593 PolarHBondContact O-N 3.37Å
594A24.8Very low26.5Very low92 Ų92152.8 Ų152.876%0.7677%0.772SS**  trans-80.5108.4149.600000108.9I596A594-I596 PolarHBondContact O-N 3.23Å
595H23.3Very low26.6Very low179 Ų179154.1 Ų154.183%0.82977%0.772SS**  trans-64.399.2175.5-93.4-57.9000111.2
596I27.7Very low26.9Very low147 Ų147151 Ų15175%0.75476%0.763SS**  trans-90.5125.7161-60.7178.4000107A594 K598A594-I596 PolarHBondContact O-N 3.23Å; I596-K598 PolarHBondContact O-N 3.11Å
597H25.2Very low27Very low182 Ų182151.7 Ų151.784%0.84377%0.765SS**  trans-57.7123.8178.2-90.1-90.7000111K599H597-K599 PolarHBondContact O-N 2.97Å
598K24.7Very low27.3Very low162 Ų162148 Ų14870%0.70475%0.753SS**  trans-62.6101.1166.9-69.6-177.7179.7178.40109.1D575 I596D575-K598 WeakPolarHBondContact OD2-CE 3.26Å; D575-K598 IonicContact OD2-NZ 3.91Å; D575-K598 PolarHBondContact OD2-NZ 3.08Å; I596-K598 PolarHBondContact O-N 3.11Å
599K26.4Very low27.7Very low176 Ų176146.9 Ų146.977%0.76575%0.754SS**  trans-95.7137.1151.4-81.4-168.1172.9-174.20107.7H597 H601H597-K599 PolarHBondContact O-N 2.97Å; K599-H601 PolarHBondContact O-CD2 3Å; K599-H601 PolarHBondContact O-N 2.64Å; K599-H601 VanDerWaalsContact O-N 3.1Å
600N25.5Very low29Very low145 Ų145145.4 Ų145.478%0.77574%0.736SS**  trans-67.8110.4-171-63.5-14.5000110.6S602N600-S602 VanDerWaalsContact C-N 3.28Å; N600-S602 PolarHBondContact O-N 3.03Å
601H33.4Very low30.8Very low137 Ų137144 Ų14463%0.63472%0.72SS**  trans-87.118.6-172.2-88.4-71.9000114.9K599 N603 Y604K599-H601 PolarHBondContact O-CD2 3Å; K599-H601 PolarHBondContact O-N 2.64Å; K599-H601 VanDerWaalsContact O-N 3.1Å; H601-N603 PolarHBondContact O-N 3.34Å; H601-Y604 HydrophobicContact CB-CE2 4.43Å; H601-Y604 AromaticContact ND1-CE2 3.62Å
602S27.6Very low32.4Very low105 Ų105139.7 Ų139.773%0.73469%0.69SS**SBendtrans-7631.4174.350.50000114N600N600-S602 VanDerWaalsContact C-N 3.28Å; N600-S602 PolarHBondContact O-N 3.03Å
603N26Very low34.7Very low136 Ų136132 Ų13273%0.72766%0.658SS**  trans-159.375.5174-107.3-47.3000111.9H601 R605H601-N603 PolarHBondContact O-N 3.34Å; N603-R605 PolarHBondContact O-N 3.47Å
604Y33.4Very low37.1Very low160 Ų160129.6 Ų129.663%0.62764%0.643SS**  trans-78.547.9171.5-104.7-83000112.6H601H601-Y604 HydrophobicContact CB-CE2 4.43Å; H601-Y604 AromaticContact ND1-CE2 3.62Å
605R27.7Very low39.7Very low214 Ų214125.3 Ų125.381%0.80861%0.608SS**  trans-97.9124.9168.5-170174-175.8176.81.2108.1N603 K607N603-R605 PolarHBondContact O-N 3.47Å; R605-K607 PolarHBondContact O-N 3.05Å
606S32.4Very low42.4Very low87 Ų87117.5 Ų117.561%0.60857%0.573SS**  trans-62.6105.9-172.131.30000112.9
607K26.1Very low44.8Very low210 Ų210110.5 Ų110.591%0.91354%0.537SS*.  trans-136.974.3162.3-81.1-162.5172.1-169.30109.9R605R605-K607 PolarHBondContact O-N 3.05Å
608S31.7Very low46.9Very low83 Ų83102.6 Ų102.658%0.5850%0.501SS*.  trans-138.5133.2166.248.10000108.2N610S608-N610 PolarHBondContact O-N 2.94Å
609Q37.7Very low49.1Very low148 Ų14897.6 Ų97.669%0.69248%0.484SS*.SBendtrans-82.937.6-179.4-66.5168.8-59.700111.6F507F507-Q609 HydrophobicContact CE1-CB 4.2Å; F507-Q609 HydrophobicContact CE1-CG 4.34Å
610N49.3Very low51.1Low99 Ų9989.4 Ų89.453%0.52945%0.448SS..SBendtrans-134.7128.7-174.2-62.670.1000108S608 D612S608-N610 PolarHBondContact O-N 2.94Å; N610-D612 PolarHBondContact O-N 3Å
611D63.3Low52.9Low71 Ų7183.8 Ų83.838%0.3842%0.417SS..SBendtrans-69.316-173.7-61.816.6000115T560 N561 R562 K563T560-D611 WeakPolarHBondContact O-CA 3.09Å; T560-D611 VanDerWaalsContact O-CB 3.24Å; T560-D611 WeakPolarHBondContact O-CB 3.42Å; N561-D611 CarbonylContact C-O 3.46Å; N561-D611 VanDerWaalsContact CA-O 3.23Å; N561-D611 WeakPolarHBondContact CA-O 3.42Å; R562-D611 HydrophobicContact CB-CB 4.06Å; R562-D611 VanDerWaalsContact CD-OD2 3.3Å; R562-D611 WeakPolarHBondContact CD-OD2 3.37Å; R562-D611 HydrophobicContact CG-CB 4.41Å; R562-D611 WeakPolarHBondContact CG-OD2 3.36Å; R562-D611 PolarHBondContact N-O 2.89Å; R562-D611 IonicContact NE-OD2 2.75Å; K563-D611 PolarHBondContact N-O 2.85Å; K563-D611 VanDerWaalsContact O-O 3.12Å
612D64.4Low54.2Low40 Ų4082.1 Ų82.121%0.21441%0.409CS..EExtended strand (participates in β ladder)trans-103.1111.1-174.6-102.357000110.9K563 N565 N610 Y614K563-D612 WeakPolarHBondContact CD-OD1 3.01Å; K563-D612 IonicContact NZ-OD2 3.97Å; N565-D612 PolarHBondContact ND2-OD2 3.28Å; N610-D612 PolarHBondContact O-N 3Å; D612-Y614 HydrophobicContact CB-CE2 4.17Å; D612-Y614 PolarHBondContact OD2-OH 2.89Å
613I72.4Confident55.4Low37 Ų3779.6 Ų79.619%0.1939%0.392CS..EExtended strand (participates in β ladder)trans-99.7143.1165-74.8-177.7000111.2Y557 N561 K563 L564 N565Y557-I613 HydrophobicContact CD1-CB 4.43Å; Y557-I613 HydrophobicContact CD1-CD1 4.03Å; Y557-I613 HydrophobicContact CD1-CG2 3.79Å; Y557-I613 HydrophobicContact CE1-CG2 3.63Å; N561-I613 HydrophobicContact CB-CB 4.42Å; N561-I613 HydrophobicContact CB-CD1 3.79Å; N561-I613 HydrophobicContact CB-CG1 3.85Å; N561-I613 WeakPolarHBondContact ND2-CD1 3.32Å; N561-I613 VanDerWaalsContact OD1-CD1 3.29Å; N561-I613 WeakPolarHBondContact OD1-CD1 3.44Å; N561-I613 WeakPolarHBondContact OD1-CG1 3.46Å; K563-I613 PolarHBondContact O-N 3.01Å; L564-I613 HydrophobicContact CD1-CB 4.11Å; L564-I613 HydrophobicContact CD1-CG2 3.73Å; N565-I613 PolarHBondContact N-O 3.06Å
614Y75.9Confident56.5Low111 Ų11175.7 Ų75.744%0.43537%0.371SS..EExtended strand (participates in β ladder)trans-109.1125171.6-68.4-101.5000110.5N565 D612N565-Y614 HydrophobicContact CB-CD1 3.84Å; N565-Y614 HydrophobicContact CB-CE1 3.89Å; N565-Y614 HydrophobicContact CB-CG 4.37Å; N565-Y614 VanDerWaalsContact ND2-CZ 3.32Å; N565-Y614 CarbonylContact O-C 3.58Å; N565-Y614 WeakPolarHBondContact O-CA 3.32Å; D612-Y614 HydrophobicContact CB-CE2 4.17Å; D612-Y614 PolarHBondContact OD2-OH 2.89Å
615L79Confident56.9Low3 Ų371.1 Ų71.12%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-107.3113.4172.3170.457.7000108.8I543 Y557 L564 N565 I566 V567 L620I543-L615 HydrophobicContact CG2-CD2 4.38Å; Y557-L615 VanDerWaalsContact OH-CD1 3.26Å; Y557-L615 WeakPolarHBondContact OH-CD1 3.43Å; Y557-L615 WeakPolarHBondContact OH-CD2 3.46Å; L564-L615 HydrophobicContact CD1-CB 4.21Å; N565-L615 PolarHBondContact O-N 3.17Å; I566-L615 HydrophobicContact CG1-CD2 4.18Å; I566-L615 HydrophobicContact CG2-CD2 3.96Å; I566-L615 HydrophobicContact CG2-CG 4.27Å; V567-L615 WeakPolarHBondContact CG2-O 3.5Å; V567-L615 PolarHBondContact N-O 2.67Å; L615-L620 HydrophobicContact CD1-CD1 4.06Å; L615-L620 HydrophobicContact CD1-CD2 4.03Å; L615-L620 HydrophobicContact CD1-CG 3.8Å; L615-L620 HydrophobicContact CD2-CD1 4.22Å
616S80.2Confident57.2Low15 Ų1566.6 Ų66.611%0.10535%0.351CS..EExtended strand (participates in β ladder)trans-85.4127.8165.6-176.50000109.6V567 L618 T619V567-S616 CarbonylContact O-C 3.57Å; V567-S616 WeakPolarHBondContact O-CA 3.25Å; S616-L618 PolarHBondContact O-N 2.81Å; S616-L618 PolarHBondContact OG-N 2.88Å; S616-T619 PolarHBondContact O-N 3.04Å; S616-T619 VanDerWaalsContact O-N 3.09Å; S616-T619 PolarHBondContact O-OG1 3.09Å
617L77.9Confident57.1Low0 Ų070.8 Ų70.80%036%0.358CS..Hα-helixtrans-58.9-31.3172.8-63.9178.8000111.6Y545 I566 V567 Y568 T619 L620 Y621 C708 L711 L862 L882Y545-L617 HydrophobicContact CD1-CD2 4.31Å; Y545-L617 HydrophobicContact CD2-CD2 4.14Å; Y545-L617 HydrophobicContact CG-CD2 4.01Å; I566-L617 HydrophobicContact CG2-CD2 3.86Å; I566-L617 HydrophobicContact CG2-CG 4.33Å; V567-L617 PolarHBondContact O-N 3.09Å; Y568-L617 HydrophobicContact CD2-CB 4.22Å; L617-T619 VanDerWaalsContact C-N 3.3Å; L617-T619 PolarHBondContact O-N 2.99Å; L617-L620 HydrophobicContact CD2-CD1 4.34Å; L617-L620 WeakPolarHBondContact O-CB 2.99Å; L617-L620 PolarHBondContact O-N 3.06Å; L617-L620 VanDerWaalsContact O-N 3.16Å; L617-Y621 WeakPolarHBondContact O-CD2 3.3Å; L617-Y621 PolarHBondContact O-N 3.18Å; L617-C708 HydrophobicContact CD1-CB 4.18Å; L617-L711 HydrophobicContact CD1-CD2 3.73Å; L617-L862 HydrophobicContact CD1-CD1 4.14Å; L617-L882 HydrophobicContact CD2-CD2 4.04Å
618L71.1Confident57.2Low15 Ų1570.7 Ų70.78%0.07935%0.353CS..Hα-helixtrans-62.5-33.9176.3-170.865.4000112.6N569 V571 S616 L620 Y621 Q622N569-L618 VanDerWaalsContact O-CD2 3.31Å; N569-L618 WeakPolarHBondContact O-CD2 3.43Å; V571-L618 HydrophobicContact CB-CD2 4.19Å; V571-L618 HydrophobicContact CG2-CD2 4.07Å; S616-L618 PolarHBondContact O-N 2.81Å; S616-L618 PolarHBondContact OG-N 2.88Å; L618-L620 VanDerWaalsContact C-N 3.34Å; L618-Y621 PolarHBondContact O-N 2.9Å; L618-Q622 WeakPolarHBondContact O-CG 3.43Å; L618-Q622 PolarHBondContact O-N 2.82Å
619T69.5Low57.1Low57 Ų5774 Ų7435%0.3536%0.364SS..Hα-helixtrans-79.6-16.2178.160.60000113S616 L617 S623S616-T619 PolarHBondContact O-N 3.04Å; S616-T619 VanDerWaalsContact O-N 3.09Å; S616-T619 PolarHBondContact O-OG1 3.09Å; L617-T619 VanDerWaalsContact C-N 3.3Å; L617-T619 PolarHBondContact O-N 2.99Å; T619-S623 WeakPolarHBondContact O-CB 3.46Å; T619-S623 PolarHBondContact O-N 2.87Å; T619-S623 VanDerWaalsContact O-N 3.11Å
620L68.9Low56.6Low4 Ų471.3 Ų71.32%0.02136%0.361CS..Hα-helixtrans-69-49.4166.2-69.3179.8000111.1Y545 R555 L615 L617 L618 Q622 S623 N624Y545-L620 HydrophobicContact CG-CD1 4.42Å; R555-L620 HydrophobicContact CB-CD2 4.14Å; L615-L620 HydrophobicContact CD1-CD1 4.06Å; L615-L620 HydrophobicContact CD1-CD2 4.03Å; L615-L620 HydrophobicContact CD1-CG 3.8Å; L615-L620 HydrophobicContact CD2-CD1 4.22Å; L617-L620 HydrophobicContact CD2-CD1 4.34Å; L617-L620 WeakPolarHBondContact O-CB 2.99Å; L617-L620 PolarHBondContact O-N 3.06Å; L617-L620 VanDerWaalsContact O-N 3.16Å; L618-L620 VanDerWaalsContact C-N 3.34Å; L620-Q622 VanDerWaalsContact C-N 3.31Å; L620-Q622 PolarHBondContact O-N 2.79Å; L620-S623 PolarHBondContact O-N 2.7Å; L620-S623 PolarHBondContact O-OG 3.01Å; L620-N624 PolarHBondContact O-N 3.29Å
621Y64.2Low55.6Low27 Ų2775.7 Ų75.711%0.10638%0.376CS..Hα-helixtrans-51.4-51.2174-75.9-82.8000111.2Y545 E547 V552 L617 L618 S623 N624 H625 S697Y545-Y621 HydrophobicContact CD1-CE2 4.46Å; Y545-Y621 HydrophobicContact CE1-CD2 4.42Å; Y545-Y621 AromaticContact CE1-CE2 3.59Å; Y545-Y621 HydrophobicContact CE1-CE2 3.59Å; Y545-Y621 AromaticContact CE1-CZ 3.66Å; Y545-Y621 WeakPolarHBondContact CE1-OH 3.4Å; Y545-Y621 PolarHBondContact OH-OH 3.04Å; E547-Y621 VanDerWaalsContact CD-OH 3.28Å; E547-Y621 WeakPolarHBondContact OE2-CE1 3.48Å; E547-Y621 PolarHBondContact OE2-OH 3.21Å; V552-Y621 HydrophobicContact CB-CD1 4.39Å; V552-Y621 HydrophobicContact CB-CE1 4.25Å; V552-Y621 HydrophobicContact CG1-CD1 3.3Å; V552-Y621 HydrophobicContact CG1-CD2 3.78Å; V552-Y621 HydrophobicContact CG1-CE1 3.5Å; V552-Y621 HydrophobicContact CG1-CE2 3.98Å; V552-Y621 HydrophobicContact CG1-CG 3.43Å; V552-Y621 VanDerWaalsContact CG1-CG 3.43Å; V552-Y621 HydrophobicContact CG2-CD1 4.21Å; V552-Y621 HydrophobicContact CG2-CE1 3.64Å; L617-Y621 WeakPolarHBondContact O-CD2 3.3Å; L617-Y621 PolarHBondContact O-N 3.18Å; L618-Y621 PolarHBondContact O-N 2.9Å; Y621-S623 VanDerWaalsContact C-N 3.28Å; Y621-S623 PolarHBondContact O-N 2.81Å; Y621-N624 PolarHBondContact O-N 2.88Å; Y621-H625 PolarHBondContact O-CD2 2.81Å; Y621-S697 VanDerWaalsContact CE1-OG 3.3Å; Y621-S697 WeakPolarHBondContact CE1-OG 3.43Å
622Q59.4Low54.1Low103 Ų10376 Ų7648%0.48138%0.383SS..Hα-helixtrans-59.9-35.9179-69.4172.5-17.600112.7L618 L620 N624 H625 V626L618-Q622 WeakPolarHBondContact O-CG 3.43Å; L618-Q622 PolarHBondContact O-N 2.82Å; L620-Q622 VanDerWaalsContact C-N 3.31Å; L620-Q622 PolarHBondContact O-N 2.79Å; Q622-N624 VanDerWaalsContact C-N 3.34Å; Q622-N624 PolarHBondContact O-N 2.97Å; Q622-H625 PolarHBondContact O-N 2.8Å; Q622-V626 PolarHBondContact O-N 3.13Å
623S53.9Low52.3Low52 Ų5281 Ų8136%0.36441%0.41SS..Hα-helixtrans-68-27.2-177.674.80000114.6T619 L620 Y621T619-S623 WeakPolarHBondContact O-CB 3.46Å; T619-S623 PolarHBondContact O-N 2.87Å; T619-S623 VanDerWaalsContact O-N 3.11Å; L620-S623 PolarHBondContact O-N 2.7Å; L620-S623 PolarHBondContact O-OG 3.01Å; Y621-S623 VanDerWaalsContact C-N 3.28Å; Y621-S623 PolarHBondContact O-N 2.81Å
624N47.5Very low50.2Low53 Ų5384.1 Ų84.128%0.28343%0.434SS..Hα-helixtrans-80.4-38.9176.2-93.615.6000112.1H551 V552 L620 Y621 Q622 V626 K627H551-N624 PolarHBondContact O-ND2 3.12Å; V552-N624 VanDerWaalsContact C-ND2 3.32Å; V552-N624 WeakPolarHBondContact O-CB 3.29Å; V552-N624 PolarHBondContact O-ND2 2.83Å; L620-N624 PolarHBondContact O-N 3.29Å; Y621-N624 PolarHBondContact O-N 2.88Å; Q622-N624 VanDerWaalsContact C-N 3.34Å; Q622-N624 PolarHBondContact O-N 2.97Å; N624-V626 VanDerWaalsContact C-N 3.26Å; N624-V626 PolarHBondContact O-N 3.35Å; N624-K627 PolarHBondContact O-N 3.03Å
625H42.3Very low47.9Very low64 Ų6486.6 Ų86.630%0.29645%0.454SS..Hα-helixtrans-63.8-28.1179.4-76.8-70.8000113.6Y621 Q622 K627 I693Y621-H625 PolarHBondContact O-CD2 2.81Å; Q622-H625 PolarHBondContact O-N 2.8Å; H625-K627 PolarHBondContact O-N 3.22Å; H625-I693 PolarHBondContact CE1-O 2.98Å; H625-I693 PolarHBondContact ND1-O 3.08Å
626V35.2Very low45.4Very low119 Ų11997 Ų9772%0.72149%0.494SS*.THydrogen-bonded Turntrans-71.7-13.4175.5177.90000113Q622 N624Q622-V626 PolarHBondContact O-N 3.13Å; N624-V626 VanDerWaalsContact C-N 3.26Å; N624-V626 PolarHBondContact O-N 3.35Å
627K30.4Very low42.9Very low175 Ų175102 Ų10276%0.76153%0.529SS*.THydrogen-bonded Turntrans-92.1-4.7-179.1-81.4-173.6172-1790115.8N624 H625 N629N624-K627 PolarHBondContact O-N 3.03Å; H625-K627 PolarHBondContact O-N 3.22Å; K627-N629 PolarHBondContact O-N 2.78Å
628Y28.2Very low40.5Very low209 Ų209107.3 Ų107.382%0.8257%0.565SS**  trans-8533.2168.9-81.2-82.3000113.5C630Y628-C630 PolarHBondContact O-N 3.18Å
629N27.7Very low38.3Very low152 Ų152114.6 Ų114.681%0.81360%0.604SS**  trans-71.777.2157.4-131.75.4000107.9K627 K631K627-N629 PolarHBondContact O-N 2.78Å; N629-K631 PolarHBondContact O-N 3.46Å
630C28Very low36.5Very low92 Ų92121.4 Ų121.462%0.62263%0.629SS**  trans-59.2111.5174.6-174.60000107.9Y628 S632Y628-C630 PolarHBondContact O-N 3.18Å; C630-S632 PolarHBondContact O-N 3.42Å
631K28.3Very low34.6Very low191 Ų191127.6 Ų127.683%0.8366%0.662SS**  trans-6585.9149.9-81.3-170.5173-173.50106.3N629 D633N629-K631 PolarHBondContact O-N 3.46Å; K631-D633 PolarHBondContact O-N 2.8Å; K631-D633 VanDerWaalsContact O-N 3.09Å
632S31.1Very low33Very low77 Ų77135.8 Ų135.854%0.53870%0.698SS.*  trans-69.5101.7169.740.20000107.1C630 C634C630-S632 PolarHBondContact O-N 3.42Å; S632-C634 PolarHBondContact O-N 2.88Å
633D27.2Very low31.5Very low144 Ų144139.4 Ų139.477%0.7771%0.712SS**  trans-69.549.9166.8-78.6-60.3000110.6K631K631-D633 PolarHBondContact O-N 2.8Å; K631-D633 VanDerWaalsContact O-N 3.09Å
634C27.6Very low30.4Very low104 Ų104143.4 Ų143.470%0.70373%0.73SS**  trans-111.229.4-175.7-57.40000110.9S632S632-C634 PolarHBondContact O-N 2.88Å
635N28.3Very low29.5Very low162 Ų162147.4 Ų147.487%0.86675%0.751SS**SBendtrans-136.232.5176.7-105.8-23.4000111.4
636R26.7Very low28.6Very low223 Ų223149.4 Ų149.484%0.84277%0.773SS**  trans-139.941.4-174.1-153.4-179.1-179.8175.70.5114.8
637S26.8Very low28.4Very low120 Ų120150 Ų15084%0.83978%0.776SS**SBendtrans-149.645176.357.10000115.1
638S27.5Very low28.4Very low110 Ų110147.7 Ų147.777%0.76978%0.777SS**  trans-145.651177.547.50000113.3
639N25.4Very low28.8Very low168 Ų168142.9 Ų142.990%0.89877%0.772SS**  trans-147.873.1174.7-120.8-30.1000112.9
640K32.3Very low28.7Very low200 Ų200140.6 Ų140.687%0.8777%0.768SS**  trans172132.1166.4-99.8168.6-176.2-177.80104.9
641L27.6Very low28.5Very low135 Ų135143.1 Ų143.171%0.70777%0.773SS**  cis-157.5138.90.9-175.582.4000107.3
642F31.2Very low28.3Very low199 Ų199139.7 Ų139.787%0.87377%0.768SS**  trans177168.6131.7-100.8-67.9000111.3
643K27.7Very low27.9Very low178 Ų178140.9 Ų140.977%0.77478%0.776SS**  trans-116.5159.4-168.6-65.2-179.4173.3-179.30111.9
644N32Very low28Very low137 Ų137142.9 Ų142.973%0.73378%0.78SS**  trans70.2145.7162.5-51.6-14.7000116.2
645N27.4Very low28Very low136 Ų136143.4 Ų143.473%0.72778%0.78SS**  cis-163.2156.9-21.5-105.1-10000108.4
646S24.8Very low27.9Very low107 Ų107143.6 Ų143.675%0.74878%0.781SS**  trans43.9122.315856.60000119
647T31.2Very low27.9Very low131 Ų131144 Ų14480%0.80478%0.783SS**  -171.5172.467.3-56.50000110.7
648T28.9Very low28Very low127 Ų127146.2 Ų146.278%0.77978%0.783SS**  trans-98.2-165.9-176.750.20000113
649P38.1Very low27.9Very low108 Ų108146.3 Ų146.370%0.70178%0.784SS**  -134.6-171.1-72.941.9-25.9000115.1
650S24.2Very low28Very low104 Ų104141.9 Ų141.973%0.72778%0.778SS**  trans79.8161.1152.590.60000118.2
651I25Very low27.8Very low145 Ų145139.6 Ų139.674%0.74478%0.776SS**  cis-163.8164.1-22.2-114171.2000110.4
652T24Very low27.9Very low118 Ų118140.8 Ų140.872%0.72478%0.783SS**  trans65.7122.6164.143.10000124.1
653C22.7Very low27.7Very low102 Ų102136.8 Ų136.869%0.68978%0.779SS**  50.1129.2123.8-54.80000123.3
654H27.9Very low27.8Very low186 Ų186133.4 Ų133.486%0.86178%0.778SS**  -166.3161.394.6-111-80000114
655T27.4Very low27.6Very low115 Ų115133.7 Ų133.771%0.70679%0.785SS**  trans-102.9145.8176.151.40000112.3
656N28.1Very low27.9Very low167 Ų167134 Ų13489%0.89378%0.784SS**  trans-169163.2134.9-103.4-27.6000114.4
657R25.4Very low27.9Very low231 Ų231140.5 Ų140.587%0.87279%0.793SS**  trans-88.6157.5171.7-62.5171.1171.4166.7-4.8110.9
658I28.4Very low27.9Very low166 Ų166138.9 Ų138.985%0.85179%0.787SS**  -175.5165.3122.1-96.1159000110.7
659S25.7Very low27.9Very low113 Ų113137.6 Ų137.679%0.7978%0.783SS**  trans-74.5156.7-169.253.10000116.7
660G28.5Very low27.5Very low75 Ų75138.5 Ų138.577%0.77379%0.792SS**  trans-171121.9158.800000112.7
661N26.7Very low28Very low152 Ų152142.9 Ų142.981%0.81380%0.798SS**  trans-80.9145.8172.1-67.4-19.9000110.3
662N29.7Very low28.3Very low160 Ų160143.5 Ų143.586%0.85680%0.798SS**  180159.4111.1-90.4-21.4000113.2
663S27.2Very low28.6Very low115 Ų115142 Ų14280%0.80479%0.791SS**  trans-77.7143.1-179.3520000113.4
664S31Very low29.2Very low107 Ų107146.4 Ų146.475%0.74880%0.798SS**  trans-144.9140.7148.959.90000110.5
665V28.3Very low29.5Very low143 Ų143147 Ų14787%0.86780%0.799SS**  trans-96116.5-179.4174.10000108.8
666I31.7Very low29.7Very low141 Ų141146 Ų14672%0.72380%0.795SS**  trans-126.4115.8171.2-61.2-177.2000109.5
667R26.1Very low29.6Very low244 Ų244148.7 Ų148.792%0.92179%0.794SS**  trans-75.5129165.8-75.2171.7162.2169.5-6.9109
668S30.9Very low29.8Very low98 Ų98145.4 Ų145.469%0.68579%0.794SS**  trans-146.292.6171.256.80000113.8
669S29.3Very low29.7Very low99 Ų99147.1 Ų147.169%0.69279%0.791SS**  trans34.6100.2148.462.20000118.8K671S669-K671 PolarHBondContact O-N 2.87Å
670S30.3Very low29.7Very low127 Ų127148.1 Ų148.189%0.88879%0.792SS**  trans-65.9112.4161.641.40000111
671K33.5Very low29.6Very low197 Ų197151 Ų15186%0.85779%0.79SS**  trans-82122.9173.5-75.2-175178.6177.20110.6S669S669-K671 PolarHBondContact O-N 2.87Å
672Q30.8Very low29.6Very low158 Ų158147.7 Ų147.774%0.73878%0.779SS**  trans-75.2120.5-168.9-165.7-179.14000112.8K674Q672-K674 PolarHBondContact O-N 3.1Å
673C31.1Very low29.4Very low86 Ų86148.7 Ų148.758%0.58178%0.776SS**  trans-80.7104.1172.9-176.10000111K675 C676C673-K675 PolarHBondContact O-N 2.86Å; C673-C676 PolarHBondContact O-N 3.27Å
674K34.2Very low29.4Very low194 Ų194150 Ų15084%0.84377%0.774SS**THydrogen-bonded Turntrans-65.112.5-176.1-87.6-170.9173.3-176.60116.8Q672Q672-K674 PolarHBondContact O-N 3.1Å
675K35Very low29.2Very low200 Ų200151.7 Ų151.787%0.8777%0.774SS**THydrogen-bonded Turntrans-135.7-6.8178.6-71.5-168.1175-175.70116C673C673-K675 PolarHBondContact O-N 2.86Å
676C31.4Very low29.1Very low93 Ų93151.1 Ų151.163%0.62877%0.771SS**  trans-135.499.5-174.2-54.90000111C673 N678C673-C676 PolarHBondContact O-N 3.27Å; C676-N678 PolarHBondContact O-N 3.5Å
677Y27.4Very low28.9Very low223 Ų223149.5 Ų149.588%0.87577%0.772SS**  trans-81.1105.8166-88.3-86.9000109.7
678N29.6Very low29Very low163 Ų163146.4 Ų146.487%0.87277%0.773SS**  trans-168.9156.1135.5-98.6-28.1000111.6C676C676-N678 PolarHBondContact O-N 3.5Å
679Y24.9Very low28.9Very low202 Ų202148.7 Ų148.779%0.79278%0.776SS**  trans-75.6152.7-175.2-126.1-109.8000112.3
680V25.6Very low28.9Very low133 Ų133149.1 Ų149.181%0.80678%0.777SS**  trans-138.2109.1167.8-179.70000108.1
681D27.6Very low28.7Very low137 Ų137150.3 Ų150.373%0.73377%0.773SS**  trans-94.9156.8162.2-74.1-57.5000109.6
682S26.1Very low28.4Very low82 Ų82146.7 Ų146.757%0.57376%0.763SS**  trans-118.5165.6-152.451.70000115.9
683F25.8Very low28.4Very low181 Ų181145.8 Ų145.879%0.79476%0.761SS**  trans83.7143.1169.5-51.1-63.7000116.2
684N27.9Very low28.3Very low143 Ų143145.2 Ų145.277%0.76576%0.755SS**  cis-144.2169.84.1-116.4-16.4000111.9
685D25.3Very low28.3Very low141 Ų141139.5 Ų139.575%0.75473%0.731SS**  trans-62.8141.8-172.1-69.2-74.3000116.9
686T26.8Very low28.3Very low132 Ų132134.7 Ų134.781%0.8172%0.722SS**  -179.1155.210228.10000113.5
687S28.1Very low28.9Very low106 Ų106130.8 Ų130.874%0.74170%0.696SS**SBendtrans72.781.9170.569.80000120.5I689S687-I689 PolarHBondContact O-N 3.23Å
688L27.2Very low29.5Very low180 Ų180125.7 Ų125.794%0.94268%0.682SS**SBend47.241.1127.2-71.6170.3000121.2
689I29.3Very low30.3Very low145 Ų145126.3 Ų126.374%0.74467%0.673SS**  trans-133.9107.4152.7-53.8-179.9000110.4S687S687-I689 PolarHBondContact O-N 3.23Å
690P29Very low31.8Very low109 Ų109123.2 Ų123.271%0.70866%0.664SS**  trans-78.5130.1175.630.3-32.3000112.2
691N26.9Very low33.3Very low151 Ų151120.5 Ų120.581%0.80765%0.651SS**  trans65.443.9154.7-55.2-24.9000118.5I693N691-I693 PolarHBondContact O-N 3.06Å; N691-I693 VanDerWaalsContact O-N 3.15Å
692L27.8Very low35.6Very low122 Ų122115.1 Ų115.164%0.63962%0.624SS**  trans-78.389.7154.8-152.579.6000109.4V694L692-V694 HydrophobicContact CD2-CG2 3.88Å; L692-V694 HydrophobicContact CG-CG2 4.24Å; L692-V694 PolarHBondContact O-N 3.11Å
693I29Very low38.2Very low139 Ų139114.3 Ų114.371%0.71362%0.618SS**  trans-69.589.1168.7-58.4178.5000107.6H625 N691 H695H625-I693 PolarHBondContact CE1-O 2.98Å; H625-I693 PolarHBondContact ND1-O 3.08Å; N691-I693 PolarHBondContact O-N 3.06Å; N691-I693 VanDerWaalsContact O-N 3.15Å; I693-H695 PolarHBondContact O-N 2.96Å
694V29.6Very low40.8Very low73 Ų73105.7 Ų105.744%0.44258%0.581SS.*  trans-69.7119.3172.1179.10000107.7L692 M698L692-V694 HydrophobicContact CD2-CG2 3.88Å; L692-V694 HydrophobicContact CG-CG2 4.24Å; L692-V694 PolarHBondContact O-N 3.11Å; V694-M698 HydrophobicContact CG1-CB 3.81Å; V694-M698 HydrophobicContact CG1-CG 3.6Å; V694-M698 HydrophobicContact CG1-SD 4.34Å
695H34.7Very low43.3Very low75 Ų75101.2 Ų101.235%0.34755%0.553SS.*  trans-63.3145.7175.5-121.8-97.5000109.5H550 I693 S697 M698H550-H695 AromaticContact CD2-ND1 4Å; H550-H695 AromaticContact CE1-CD2 3.86Å; H550-H695 AromaticContact CE1-CE1 3.35Å; H550-H695 PolarHBondContact CE1-CE1 3.49Å; H550-H695 AromaticContact CE1-ND1 3.89Å; H550-H695 AromaticContact CE1-NE2 3.32Å; H550-H695 PolarHBondContact CE1-NE2 3.18Å; H550-H695 VanDerWaalsContact CE1-NE2 3.32Å; H550-H695 AromaticContact CG-CE1 3.81Å; H550-H695 AromaticContact ND1-CE1 3.37Å; H550-H695 PolarHBondContact ND1-CE1 3.48Å; H550-H695 AromaticContact ND1-NE2 3.72Å; H550-H695 AromaticContact NE2-CE1 3.78Å; H550-H695 AromaticContact NE2-ND1 3.86Å; H550-H695 AromaticContact NE2-NE2 3.92Å; I693-H695 PolarHBondContact O-N 2.96Å; H695-S697 PolarHBondContact O-N 2.88Å; H695-M698 PolarHBondContact O-N 2.91Å
696S35.4Very low46.1Very low98 Ų9899.4 Ų99.469%0.68554%0.538SS*.G310 helixtrans-63.81-169.345.20000116M698S696-M698 VanDerWaalsContact C-N 3.33Å; S696-M698 PolarHBondContact O-N 3.4Å
697S43.3Very low49Very low11 Ų1194 Ų948%0.07750%0.504CS..G310 helixtrans-72.1-16.3175.361.70000115E547 Y621 H695 Y699E547-S697 WeakPolarHBondContact OE2-CB 3.38Å; Y621-S697 VanDerWaalsContact CE1-OG 3.3Å; Y621-S697 WeakPolarHBondContact CE1-OG 3.43Å; H695-S697 PolarHBondContact O-N 2.88Å; S697-Y699 PolarHBondContact O-N 3Å
698M39.3Very low51.7Low116 Ų11689 Ų8957%0.57147%0.469SS*.G310 helixtrans-73.3-12.1176.5-72.3-121.369.400113.7V694 H695 S696 K700V694-M698 HydrophobicContact CG1-CB 3.81Å; V694-M698 HydrophobicContact CG1-CG 3.6Å; V694-M698 HydrophobicContact CG1-SD 4.34Å; H695-M698 PolarHBondContact O-N 2.91Å; S696-M698 VanDerWaalsContact C-N 3.33Å; S696-M698 PolarHBondContact O-N 3.4Å; M698-K700 PolarHBondContact O-N 3.31Å
699Y47.3Very low54.3Low176 Ų17682.3 Ų82.369%0.6944%0.437SS*.SBendtrans-72.1123.1163.3-85.9-82000110.5S697 S701 S702S697-Y699 PolarHBondContact O-N 3Å; Y699-S701 PolarHBondContact O-N 2.57Å; Y699-S702 PolarHBondContact O-N 2.88Å
700K55.6Low57Low137 Ų13779.4 Ų79.460%0.59642%0.416SS*.THydrogen-bonded Turntrans-6210.4176.7-58.4-166.9174.7-171.60114.8M698 W705M698-K700 PolarHBondContact O-N 3.31Å; K700-W705 HydrophobicContact CB-CD2 4.34Å; K700-W705 HydrophobicContact CB-CE3 4.22Å; K700-W705 HydrophobicContact CB-CH2 3.63Å; K700-W705 HydrophobicContact CB-CZ2 3.7Å; K700-W705 HydrophobicContact CB-CZ3 3.88Å; K700-W705 HydrophobicContact CD-CH2 3.97Å; K700-W705 HydrophobicContact CD-CZ2 3.7Å; K700-W705 HydrophobicContact CG-CH2 3.88Å; K700-W705 HydrophobicContact CG-CZ2 3.47Å; K700-W705 VanDerWaalsContact CG-CZ2 3.47Å; K700-W705 VanDerWaalsContact O-CE3 3.25Å; K700-W705 WeakPolarHBondContact O-CZ3 3.43Å
701S58.3Low59.7Low77 Ų7774.2 Ų74.254%0.53838%0.383SS..THydrogen-bonded Turntrans-96.7-21.3178.758.50000113.6Y699 K706Y699-S701 PolarHBondContact O-N 2.57Å; S701-K706 VanDerWaalsContact O-CE 3.29Å; S701-K706 WeakPolarHBondContact O-CE 3.15Å; S701-K706 PolarHBondContact O-NZ 3.38Å
702S74.9Confident62.1Low24 Ų2467.9 Ų67.917%0.16835%0.353CS..  trans-52.8140.7-177.2154.50000112.7E547 Y699 G704 W705 K706E547-S702 PolarHBondContact OE1-OG 2.83Å; Y699-S702 PolarHBondContact O-N 2.88Å; S702-G704 VanDerWaalsContact C-N 3.31Å; S702-G704 PolarHBondContact OG-N 2.57Å; S702-W705 PolarHBondContact OG-N 3.17Å; S702-W705 VanDerWaalsContact OG-N 3.1Å; S702-K706 WeakPolarHBondContact O-CB 3.18Å; S702-K706 WeakPolarHBondContact O-CD 2.94Å; S702-K706 VanDerWaalsContact O-CG 3.22Å; S702-K706 WeakPolarHBondContact O-CG 3.01Å; S702-K706 PolarHBondContact O-N 2.95Å
703S80.3Confident64.4Low65 Ų6564.7 Ų64.746%0.45534%0.341SS..Hα-helixtrans-68.3-29.3175.259.40000112.9P879S703-P879 WeakPolarHBondContact OG-CB 3.18Å
704G82.1Confident66.6Low0 Ų058.4 Ų58.40%031%0.309CS..Hα-helixtrans-76.1-51.7175.500000111.4S702 K706 Q707 C708 P879S702-G704 VanDerWaalsContact C-N 3.31Å; S702-G704 PolarHBondContact OG-N 2.57Å; G704-K706 PolarHBondContact O-N 2.7Å; G704-Q707 PolarHBondContact O-N 3.33Å; G704-C708 PolarHBondContact O-N 3.05Å; G704-C708 PolarHBondContact O-SG 2.77Å; G704-P879 WeakPolarHBondContact CA-O 3.29Å
705W79.8Confident69.4Low48 Ų4855 Ų5518%0.18229%0.287CS..Hα-helixtrans-47.7-46.5171.3-17894.1000111.4Y568 K700 S702 Q707 C708 C709Y568-W705 PolarHBondContact OH-NE1 3.23Å; K700-W705 HydrophobicContact CB-CD2 4.34Å; K700-W705 HydrophobicContact CB-CE3 4.22Å; K700-W705 HydrophobicContact CB-CH2 3.63Å; K700-W705 HydrophobicContact CB-CZ2 3.7Å; K700-W705 HydrophobicContact CB-CZ3 3.88Å; K700-W705 HydrophobicContact CD-CH2 3.97Å; K700-W705 HydrophobicContact CD-CZ2 3.7Å; K700-W705 HydrophobicContact CG-CH2 3.88Å; K700-W705 HydrophobicContact CG-CZ2 3.47Å; K700-W705 VanDerWaalsContact CG-CZ2 3.47Å; K700-W705 VanDerWaalsContact O-CE3 3.25Å; K700-W705 WeakPolarHBondContact O-CZ3 3.43Å; S702-W705 PolarHBondContact OG-N 3.17Å; S702-W705 VanDerWaalsContact OG-N 3.1Å; W705-Q707 VanDerWaalsContact C-N 3.34Å; W705-Q707 PolarHBondContact O-N 3.28Å; W705-C708 PolarHBondContact O-N 3.16Å; W705-C708 VanDerWaalsContact O-N 3.13Å; W705-C709 VanDerWaalsContact CD2-SG 3.5Å; W705-C709 HydrophobicContact CH2-CB 4.4Å; W705-C709 WeakPolarHBondContact CZ2-SG 3.22Å; W705-C709 HydrophobicContact CZ3-CB 4.48Å; W705-C709 PolarHBondContact O-N 2.91Å; W705-C709 PolarHBondContact O-SG 2.88Å; W705-C709 VanDerWaalsContact O-SG 3.35Å
706K83.6Confident72.1Confident103 Ų10351.4 Ų51.445%0.44827%0.271SS..Hα-helixtrans-57.9-36.4177.4-78.9166.2179.7160.10114.2S701 S702 G704 R710S701-K706 VanDerWaalsContact O-CE 3.29Å; S701-K706 WeakPolarHBondContact O-CE 3.15Å; S701-K706 PolarHBondContact O-NZ 3.38Å; S702-K706 WeakPolarHBondContact O-CB 3.18Å; S702-K706 WeakPolarHBondContact O-CD 2.94Å; S702-K706 VanDerWaalsContact O-CG 3.22Å; S702-K706 WeakPolarHBondContact O-CG 3.01Å; S702-K706 PolarHBondContact O-N 2.95Å; G704-K706 PolarHBondContact O-N 2.7Å; K706-R710 VanDerWaalsContact O-CG 3.29Å; K706-R710 WeakPolarHBondContact O-CG 3.41Å; K706-R710 PolarHBondContact O-N 2.85Å
707Q87.2Confident74.8Confident20 Ų2046.8 Ų46.89%0.09324%0.239CC..Hα-helixtrans-79.6-34.1175.7-50.9-49.3-36.300111.8G704 W705 R710 L711 L862 P879 A880G704-Q707 PolarHBondContact O-N 3.33Å; W705-Q707 VanDerWaalsContact C-N 3.34Å; W705-Q707 PolarHBondContact O-N 3.28Å; Q707-R710 PolarHBondContact O-N 2.86Å; Q707-L711 PolarHBondContact O-N 3.24Å; Q707-L862 HydrophobicContact CB-CB 3.88Å; Q707-L862 WeakPolarHBondContact CB-O 3.38Å; Q707-L862 VanDerWaalsContact CG-O 3.3Å; Q707-L862 WeakPolarHBondContact CG-O 3.35Å; Q707-P879 HydrophobicContact CG-CG 4.31Å; Q707-A880 HydrophobicContact CB-CB 4.35Å
708C85.3Confident77.1Confident0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-65-43.7174.6-68.10000112.1Y545 Y568 L617 G704 W705 R710 L711Y545-C708 PolarHBondContact OH-SG 2.79Å; Y568-C708 WeakPolarHBondContact CB-O 3.43Å; Y568-C708 HydrophobicContact CD2-CB 3.67Å; Y568-C708 HydrophobicContact CE2-CB 4.01Å; Y568-C708 HydrophobicContact CG-CB 4.39Å; Y568-C708 VanDerWaalsContact CG-O 3.27Å; L617-C708 HydrophobicContact CD1-CB 4.18Å; G704-C708 PolarHBondContact O-N 3.05Å; G704-C708 PolarHBondContact O-SG 2.77Å; W705-C708 PolarHBondContact O-N 3.16Å; W705-C708 VanDerWaalsContact O-N 3.13Å; C708-R710 VanDerWaalsContact C-N 3.27Å; C708-R710 PolarHBondContact O-N 3.34Å; C708-L711 WeakPolarHBondContact O-CB 3.18Å; C708-L711 PolarHBondContact O-N 3.16Å
709C82.4Confident79.4Confident39 Ų3941.6 Ų41.626%0.26421%0.213SC..Hα-helixtrans-63.9-33.6173.9-64.50000112.6Y568 W705 L711 G712Y568-C709 HydrophobicContact CE1-CB 4.38Å; Y568-C709 WeakPolarHBondContact CE1-SG 3.35Å; Y568-C709 VanDerWaalsContact CZ-SG 3.56Å; W705-C709 VanDerWaalsContact CD2-SG 3.5Å; W705-C709 HydrophobicContact CH2-CB 4.4Å; W705-C709 WeakPolarHBondContact CZ2-SG 3.22Å; W705-C709 HydrophobicContact CZ3-CB 4.48Å; W705-C709 PolarHBondContact O-N 2.91Å; W705-C709 PolarHBondContact O-SG 2.88Å; W705-C709 VanDerWaalsContact O-SG 3.35Å; C709-L711 VanDerWaalsContact C-N 3.28Å; C709-L711 PolarHBondContact O-N 3.25Å; C709-G712 PolarHBondContact O-N 3.04Å
710R86.5Confident81.3Confident84 Ų8433.6 Ų33.632%0.31718%0.182SC..Hα-helixtrans-66.7-26.9171.6-72.5176.970.9-152.24.6113K706 Q707 C708 G712 T735 L737K706-R710 VanDerWaalsContact O-CG 3.29Å; K706-R710 WeakPolarHBondContact O-CG 3.41Å; K706-R710 PolarHBondContact O-N 2.85Å; Q707-R710 PolarHBondContact O-N 2.86Å; C708-R710 VanDerWaalsContact C-N 3.27Å; C708-R710 PolarHBondContact O-N 3.34Å; R710-G712 VanDerWaalsContact C-N 3.26Å; R710-G712 PolarHBondContact O-N 2.98Å; R710-T735 HydrophobicContact CB-CG2 4.42Å; R710-T735 PolarHBondContact NH2-O 3.11Å; R710-T735 VanDerWaalsContact O-CB 3.31Å; R710-T735 WeakPolarHBondContact O-CB 3.39Å; R710-T735 WeakPolarHBondContact O-CG2 3.48Å; R710-T735 PolarHBondContact O-OG1 3.35Å; R710-L737 HydrophobicContact CB-CD1 3.97Å; R710-L737 HydrophobicContact CB-CD2 4.22Å; R710-L737 HydrophobicContact CB-CG 4.49Å
711L84.4Confident82.5Confident1 Ų127.7 Ų27.71%0.00516%0.158CC..Hα-helixtrans-63.9-36.3175.4-174.264.6000111.3L617 Q707 C708 C709 G715 I716 A732 L737 I739 L862L617-L711 HydrophobicContact CD1-CD2 3.73Å; Q707-L711 PolarHBondContact O-N 3.24Å; C708-L711 WeakPolarHBondContact O-CB 3.18Å; C708-L711 PolarHBondContact O-N 3.16Å; C709-L711 VanDerWaalsContact C-N 3.28Å; C709-L711 PolarHBondContact O-N 3.25Å; L711-G715 PolarHBondContact O-N 2.99Å; L711-G715 VanDerWaalsContact O-N 3.17Å; L711-I716 HydrophobicContact CD1-CG2 4.09Å; L711-A732 HydrophobicContact CD1-CB 4.48Å; L711-L737 HydrophobicContact CB-CD2 4.04Å; L711-L737 HydrophobicContact CD1-CD2 4.13Å; L711-I739 HydrophobicContact CD1-CD1 4.47Å; L711-L862 HydrophobicContact CD1-CD2 4.45Å; L711-L862 HydrophobicContact CD2-CD1 4.1Å; L711-L862 HydrophobicContact CD2-CD2 4.47Å
712G78.5Confident83.3Confident18 Ų1825.7 Ų25.719%0.18614%0.142CC..THydrogen-bonded Turntrans55.4-165.3175.400000114Y568 C709 R710 Q714Y568-G712 PolarHBondContact N-O 3Å; Y568-G712 CarbonylContact O-C 3.49Å; Y568-G712 WeakPolarHBondContact O-CA 3.28Å; C709-G712 PolarHBondContact O-N 3.04Å; R710-G712 VanDerWaalsContact C-N 3.26Å; R710-G712 PolarHBondContact O-N 2.98Å; G712-Q714 PolarHBondContact O-N 3.1Å
713S75.8Confident83.3Confident54 Ų5429.3 Ų29.338%0.37815%0.153SC..THydrogen-bonded Turntrans-72.7-8.4179.5-28.40000113.8Y143 V567 Y568 N569Y143-S713 VanDerWaalsContact CE1-C 3.48Å; Y143-S713 VanDerWaalsContact OH-C 3.28Å; Y143-S713 VanDerWaalsContact OH-CA 3.32Å; Y143-S713 WeakPolarHBondContact OH-CA 3.4Å; Y143-S713 WeakPolarHBondContact OH-CB 3.31Å; Y143-S713 PolarHBondContact OH-N 2.83Å; V567-S713 VanDerWaalsContact CG1-O 3.24Å; V567-S713 WeakPolarHBondContact CG1-O 3.37Å; Y568-S713 PolarHBondContact O-N 2.79Å; N569-S713 WeakPolarHBondContact OD1-CA 3.45Å; N569-S713 WeakPolarHBondContact OD1-CB 3.46Å; N569-S713 PolarHBondContact OD1-OG 3.26Å
714Q74.8Confident83.4Confident8 Ų826.3 Ų26.34%0.03713%0.133CC..THydrogen-bonded Turntrans-80.4-48.3-178.9-53.8-171-40.500110.9R139 Y142 Y143 G712 Q731R139-Q714 PolarHBondContact O-NE2 3.49Å; Y142-Q714 HydrophobicContact CD1-CG 4.3Å; Y143-Q714 HydrophobicContact CE1-CB 4.31Å; Y143-Q714 HydrophobicContact CE1-CG 3.59Å; Y143-Q714 HydrophobicContact CE2-CG 4.08Å; Y143-Q714 WeakPolarHBondContact OH-CG 3.43Å; Y143-Q714 PolarHBondContact OH-N 2.54Å; Y143-Q714 VanDerWaalsContact OH-N 3.08Å; G712-Q714 PolarHBondContact O-N 3.1Å; Q714-Q731 HydrophobicContact CB-CB 4.3Å; Q714-Q731 VanDerWaalsContact CB-O 3.23Å; Q714-Q731 WeakPolarHBondContact CB-O 3.25Å; Q714-Q731 PolarHBondContact OE1-O 3.16Å
715G87.4Confident83.6Confident0 Ų026.7 Ų26.70%014%0.135CC..  trans76.7-166.5170.600000116.6I566 L711 Q731 A732I566-G715 CarbonylContact O-C 3.56Å; I566-G715 WeakPolarHBondContact O-CA 3.2Å; L711-G715 PolarHBondContact O-N 2.99Å; L711-G715 VanDerWaalsContact O-N 3.17Å; G715-Q731 CarbonylContact O-C 3.53Å; G715-Q731 WeakPolarHBondContact O-CA 3.17Å; G715-Q731 WeakPolarHBondContact O-CB 3.47Å; G715-Q731 PolarHBondContact O-N 3.3Å; G715-A732 PolarHBondContact O-N 3.5Å
716I92.8Very high84.1Confident0 Ų024.4 Ų24.40%013%0.127CC..EExtended strand (participates in β ladder)trans-111.6144159.558.8178.6000108.2I566 L711 L728 S729 I739 I860 L882I566-I716 HydrophobicContact CB-CG1 3.91Å; I566-I716 HydrophobicContact CD1-CD1 4.24Å; I566-I716 HydrophobicContact CD1-CG1 4.18Å; I566-I716 HydrophobicContact CG1-CG1 4.37Å; I566-I716 PolarHBondContact N-O 2.83Å; I566-I716 PolarHBondContact O-N 2.58Å; L711-I716 HydrophobicContact CD1-CG2 4.09Å; I716-L728 HydrophobicContact CD1-CD1 4.34Å; I716-S729 WeakPolarHBondContact CA-O 3.31Å; I716-I739 HydrophobicContact CG2-CD1 3.73Å; I716-I739 HydrophobicContact CG2-CG1 3.67Å; I716-I739 HydrophobicContact CG2-CG2 4.43Å; I716-I860 HydrophobicContact CD1-CD1 4.3Å; I716-I860 HydrophobicContact CD1-CG2 4.03Å; I716-L882 HydrophobicContact CD1-CD1 3.87Å
717S90.9Very high84.5Confident1 Ų119.7 Ų19.71%0.00711%0.106CC..EExtended strand (participates in β ladder)trans-111.7128.3175.31790000109.5K563 L564 N565 L728 S729K563-S717 WeakPolarHBondContact CE-OG 3.33Å; K563-S717 WeakPolarHBondContact CG-OG 3.42Å; L564-S717 WeakPolarHBondContact O-CA 3.48Å; N565-S717 PolarHBondContact OD1-OG 2.83Å; S717-L728 CarbonylContact O-C 3.58Å; S717-L728 WeakPolarHBondContact O-CA 3.15Å; S717-S729 PolarHBondContact N-O 3.03Å; S717-S729 PolarHBondContact O-N 2.87Å
718L91.7Very high84.8Confident0 Ų018.8 Ų18.80%010%0.102CC..EExtended strand (participates in β ladder)trans-100.5123.8168-65.6168.7000108.5W540 I543 K563 L564 I566 V726 W727 L728 V785 V884W540-L718 HydrophobicContact CH2-CB 4.47Å; I543-L718 HydrophobicContact CD1-CD1 3.77Å; K563-L718 WeakPolarHBondContact CA-O 3.1Å; L564-L718 HydrophobicContact CB-CB 4.45Å; L564-L718 PolarHBondContact N-O 2.93Å; L564-L718 PolarHBondContact O-N 2.93Å; I566-L718 HydrophobicContact CD1-CD1 3.98Å; L718-V726 HydrophobicContact CB-CG1 4.46Å; L718-V726 HydrophobicContact CD2-CG1 4.3Å; L718-W727 CarbonylContact C-O 3.6Å; L718-W727 WeakPolarHBondContact CA-O 3.36Å; L718-L728 HydrophobicContact CD2-CB 4Å; L718-L728 HydrophobicContact CD2-CD1 4.17Å; L718-L728 HydrophobicContact CD2-CG 4.32Å; L718-V785 HydrophobicContact CD2-CG2 4.39Å; L718-V884 HydrophobicContact CD1-CG1 4.14Å; L718-V884 HydrophobicContact CD1-CG2 3.82Å
719T87.8Confident85.2Confident18 Ų1818.8 Ų18.811%0.1110%0.102CC..EExtended strand (participates in β ladder)trans-122.2118.9-179.5-50.20000110R562 V726 W727R562-T719 CarbonylContact O-C 3.36Å; R562-T719 WeakPolarHBondContact O-CA 3.25Å; T719-V726 WeakPolarHBondContact O-CA 3.49Å; T719-W727 PolarHBondContact N-O 2.99Å; T719-W727 PolarHBondContact O-N 2.9Å
720L86.6Confident85.8Confident8 Ų817 Ų174%0.0429%0.09CC..EExtended strand (participates in β ladder)trans-87.4125.6172.5173.262.2000109.7W540 R562 C725 V726 L891W540-L720 HydrophobicContact CB-CD2 4.28Å; W540-L720 HydrophobicContact CD2-CB 4.46Å; W540-L720 HydrophobicContact CD2-CD2 3.77Å; W540-L720 HydrophobicContact CE3-CD2 4.13Å; W540-L720 HydrophobicContact CG-CD2 3.85Å; W540-L720 HydrophobicContact CH2-CB 4.11Å; W540-L720 HydrophobicContact CZ2-CB 4.01Å; W540-L720 HydrophobicContact CZ3-CB 4.37Å; R562-L720 PolarHBondContact O-N 3.27Å; L720-C725 CarbonylContact C-O 3.49Å; L720-C725 WeakPolarHBondContact CA-O 3.4Å; L720-V726 HydrophobicContact CD1-CG2 4.14Å; L720-L891 HydrophobicContact CD1-CD2 3.74Å; L720-L891 HydrophobicContact CD2-CD2 3.84Å; L720-L891 HydrophobicContact CG-CD2 4.46Å
721T80.9Confident85.8Confident14 Ų1413.5 Ų13.59%0.0868%0.077CC..  trans-86.6165.3173.976.70000111.5Y723 G724 C725T721-Y723 PolarHBondContact O-N 3.38Å; T721-Y723 VanDerWaalsContact O-N 3.16Å; T721-Y723 PolarHBondContact OG1-N 3.39Å; T721-G724 PolarHBondContact O-N 3.19Å; T721-C725 HydrophobicContact CG2-CB 4.2Å; T721-C725 PolarHBondContact N-O 3.24Å; T721-C725 WeakPolarHBondContact OG1-CB 3.42Å; T721-C725 PolarHBondContact OG1-N 3.37Å
722T75.3Confident85.9Confident35 Ų3513.4 Ų13.422%0.2158%0.077CC..THydrogen-bonded Turntrans-58.4-20.7170.738.10000113.9N898T722-N898 PolarHBondContact O-ND2 3.36Å
723Y74.9Confident85.8Confident99 Ų9913.1 Ų13.139%0.3887%0.07SC..THydrogen-bonded Turntrans-96.915.3-177.4-54.6-81.1000113S300 T721 C725S300-Y723 VanDerWaalsContact O-CD2 3.25Å; S300-Y723 WeakPolarHBondContact O-CD2 3.34Å; S300-Y723 WeakPolarHBondContact O-CE2 3.4Å; T721-Y723 PolarHBondContact O-N 3.38Å; T721-Y723 VanDerWaalsContact O-N 3.16Å; T721-Y723 PolarHBondContact OG1-N 3.39Å; Y723-C725 VanDerWaalsContact C-N 3.26Å; Y723-C725 PolarHBondContact O-N 3.48Å
724G82.4Confident85.6Confident3 Ų312.2 Ų12.23%0.0317%0.067CC..SBendtrans77.13.8178.100000115.3T721T721-G724 PolarHBondContact O-N 3.19Å
725C86.4Confident85.9Confident8 Ų814.2 Ų14.25%0.0548%0.079CC..  trans-81.4141.8177.7-58.70000111.6L720 T721 Y723 L784 F786L720-C725 CarbonylContact C-O 3.49Å; L720-C725 WeakPolarHBondContact CA-O 3.4Å; T721-C725 HydrophobicContact CG2-CB 4.2Å; T721-C725 PolarHBondContact N-O 3.24Å; T721-C725 WeakPolarHBondContact OG1-CB 3.42Å; T721-C725 PolarHBondContact OG1-N 3.37Å; Y723-C725 VanDerWaalsContact C-N 3.26Å; Y723-C725 PolarHBondContact O-N 3.48Å; C725-L784 HydrophobicContact CB-CD1 3.83Å; C725-F786 CarbonylContact C-O 3.57Å; C725-F786 VanDerWaalsContact CA-O 3.31Å; C725-F786 WeakPolarHBondContact CA-O 3.47Å
726V90Very high85.8Confident0 Ų018.5 Ų18.50%010%0.102CC..EExtended strand (participates in β ladder)trans-114.6120.5173.5-171.20000110.3W540 L718 T719 L720 V785 F786 I886W540-V726 HydrophobicContact CH2-CG1 4.06Å; W540-V726 HydrophobicContact CH2-CG2 4.42Å; W540-V726 HydrophobicContact CZ3-CG1 4.12Å; W540-V726 HydrophobicContact CZ3-CG2 3.79Å; L718-V726 HydrophobicContact CB-CG1 4.46Å; L718-V726 HydrophobicContact CD2-CG1 4.3Å; T719-V726 WeakPolarHBondContact O-CA 3.49Å; L720-V726 HydrophobicContact CD1-CG2 4.14Å; V726-V785 HydrophobicContact CB-CG2 4.27Å; V726-V785 HydrophobicContact CG1-CG2 4.07Å; V726-V785 WeakPolarHBondContact O-CG2 2.96Å; V726-V785 PolarHBondContact O-N 3.36Å; V726-F786 HydrophobicContact CB-CB 3.91Å; V726-F786 HydrophobicContact CG2-CB 4Å; V726-F786 HydrophobicContact CG2-CD1 4.28Å; V726-F786 PolarHBondContact N-O 3.18Å; V726-F786 PolarHBondContact O-N 3.11Å; V726-F786 VanDerWaalsContact O-N 3.17Å; V726-I886 HydrophobicContact CG2-CD1 4.16Å
727W92Very high85.7Confident4 Ų418.5 Ų18.52%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-98.7127.1174.4-7794.4000111.3V283 Y298 D301 I304 L718 T719 L784V283-W727 HydrophobicContact CG1-CH2 3.84Å; V283-W727 HydrophobicContact CG1-CZ3 3.97Å; V283-W727 HydrophobicContact CG2-CH2 4.34Å; V283-W727 HydrophobicContact CG2-CZ3 4.33Å; Y298-W727 AromaticContact CD1-CH2 3.73Å; Y298-W727 HydrophobicContact CD1-CH2 3.73Å; Y298-W727 AromaticContact CD1-CZ2 3.78Å; Y298-W727 HydrophobicContact CD1-CZ2 3.78Å; Y298-W727 AromaticContact CE1-CH2 3.67Å; Y298-W727 HydrophobicContact CE1-CH2 3.67Å; Y298-W727 HydrophobicContact CE1-CZ2 4.08Å; D301-W727 PolarHBondContact OD2-NE1 3.09Å; I304-W727 HydrophobicContact CD1-CH2 3.7Å; I304-W727 HydrophobicContact CD1-CZ2 3.27Å; L718-W727 CarbonylContact C-O 3.6Å; L718-W727 WeakPolarHBondContact CA-O 3.36Å; T719-W727 PolarHBondContact N-O 2.99Å; T719-W727 PolarHBondContact O-N 2.9Å; W727-L784 HydrophobicContact CD2-CB 4.33Å; W727-L784 HydrophobicContact CD2-CD1 4.39Å; W727-L784 HydrophobicContact CE3-CB 4.19Å; W727-L784 HydrophobicContact CH2-CB 3.82Å; W727-L784 HydrophobicContact CZ2-CB 3.93Å; W727-L784 HydrophobicContact CZ2-CD1 4.27Å; W727-L784 HydrophobicContact CZ2-CG 4.47Å; W727-L784 HydrophobicContact CZ3-CB 3.96Å; W727-L784 VanDerWaalsContact CZ3-N 3.34Å
728L94.5Very high85.9Confident0 Ų019.4 Ų19.40%011%0.108CC..EExtended strand (participates in β ladder)trans-92.4128.3164.2-179.6145.4000108.6I716 S717 L718 I739 V741 V777 S782 L783 V785 I860I716-L728 HydrophobicContact CD1-CD1 4.34Å; S717-L728 CarbonylContact O-C 3.58Å; S717-L728 WeakPolarHBondContact O-CA 3.15Å; L718-L728 HydrophobicContact CD2-CB 4Å; L718-L728 HydrophobicContact CD2-CD1 4.17Å; L718-L728 HydrophobicContact CD2-CG 4.32Å; L728-I739 HydrophobicContact CD1-CG2 4.44Å; L728-I739 HydrophobicContact CD2-CG2 4.43Å; L728-V741 HydrophobicContact CD1-CG2 3.96Å; L728-V741 HydrophobicContact CD2-CG2 4.4Å; L728-V777 HydrophobicContact CD2-CB 4.44Å; L728-V777 HydrophobicContact CD2-CG1 4.13Å; L728-V777 HydrophobicContact CD2-CG2 4.35Å; L728-S782 CarbonylContact O-C 3.58Å; L728-S782 WeakPolarHBondContact O-CA 3.47Å; L728-L783 PolarHBondContact N-O 3.19Å; L728-L783 PolarHBondContact O-N 2.99Å; L728-V785 HydrophobicContact CB-CB 4.38Å; L728-V785 HydrophobicContact CB-CG1 3.54Å; L728-V785 HydrophobicContact CB-CG2 3.89Å; L728-I860 HydrophobicContact CD1-CD1 3.63Å; L728-I860 HydrophobicContact CD1-CG1 4.07Å; L728-I860 HydrophobicContact CD1-CG2 4.34Å
729S93.7Very high86.1Confident1 Ų119.4 Ų19.41%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-120117.5174-55.60000109.4I716 S717 Q731 S782I716-S729 WeakPolarHBondContact CA-O 3.31Å; S717-S729 PolarHBondContact N-O 3.03Å; S717-S729 PolarHBondContact O-N 2.87Å; S729-Q731 PolarHBondContact O-N 2.89Å; S729-S782 VanDerWaalsContact CB-OG 3.26Å; S729-S782 WeakPolarHBondContact CB-OG 3.39Å; S729-S782 PolarHBondContact OG-OG 3.28Å
730N94.1Very high86.5Confident1 Ų119 Ų191%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-82103.5178.1-178.91.6000109.7A732 L737 I739 V777 P778 A779 G780 Y781N730-A732 WeakPolarHBondContact OD1-CB 3.33Å; N730-A732 PolarHBondContact OD1-N 3.13Å; N730-L737 PolarHBondContact ND2-O 3.15Å; N730-I739 HydrophobicContact CB-CG1 4.22Å; N730-I739 WeakPolarHBondContact ND2-CG1 3.25Å; N730-V777 HydrophobicContact CB-CG1 3.94Å; N730-V777 PolarHBondContact ND2-O 3.48Å; N730-P778 WeakPolarHBondContact CB-O 3.37Å; N730-P778 VanDerWaalsContact ND2-C 3.28Å; N730-P778 PolarHBondContact ND2-O 3.16Å; N730-A779 WeakPolarHBondContact ND2-CA 3.29Å; N730-A779 PolarHBondContact ND2-N 3.23Å; N730-G780 WeakPolarHBondContact O-CA 3.47Å; N730-G780 PolarHBondContact O-N 3.11Å; N730-Y781 PolarHBondContact N-O 3.23Å
731Q87.8Confident86.9Confident10 Ų1018.7 Ų18.75%0.04710%0.103CC..  trans-95.1-1.1-176.5-55.8-165.513.300113.2Y142 I259 Q714 G715 S729 L733Y142-Q731 HydrophobicContact CE1-CB 4.36Å; Y142-Q731 PolarHBondContact OH-OE1 2.86Å; I259-Q731 HydrophobicContact CD1-CG 4.5Å; Q714-Q731 HydrophobicContact CB-CB 4.3Å; Q714-Q731 VanDerWaalsContact CB-O 3.23Å; Q714-Q731 WeakPolarHBondContact CB-O 3.25Å; Q714-Q731 PolarHBondContact OE1-O 3.16Å; G715-Q731 CarbonylContact O-C 3.53Å; G715-Q731 WeakPolarHBondContact O-CA 3.17Å; G715-Q731 WeakPolarHBondContact O-CB 3.47Å; G715-Q731 PolarHBondContact O-N 3.3Å; S729-Q731 PolarHBondContact O-N 2.89Å; Q731-L733 PolarHBondContact O-N 3.2Å
732A86Confident87.5Confident0 Ų018.1 Ų18.10%010%0.1CC..  trans-73.351.5-176.600000114L711 G715 N730 A734 N736 L737 A779L711-A732 HydrophobicContact CD1-CB 4.48Å; G715-A732 PolarHBondContact O-N 3.5Å; N730-A732 WeakPolarHBondContact OD1-CB 3.33Å; N730-A732 PolarHBondContact OD1-N 3.13Å; A732-A734 PolarHBondContact O-N 3.22Å; A732-N736 PolarHBondContact O-N 3.06Å; A732-L737 HydrophobicContact CB-CB 3.95Å; A732-L737 PolarHBondContact O-N 3.31Å; A732-A779 WeakPolarHBondContact O-CB 3.44Å
733L76.8Confident88.3Confident11 Ų1116.5 Ų16.56%0.0589%0.09CC..THydrogen-bonded Turntrans-57-44.6175.8-71.1170.9000111.4R139 Y142 Q731 T735 N736 A779R139-L733 HydrophobicContact CB-CB 4.05Å; R139-L733 WeakPolarHBondContact CB-O 3.21Å; R139-L733 VanDerWaalsContact CD-O 3.22Å; R139-L733 WeakPolarHBondContact CD-O 3.05Å; R139-L733 HydrophobicContact CG-CB 4.2Å; R139-L733 WeakPolarHBondContact CG-O 3.4Å; R139-L733 PolarHBondContact NH1-O 3.07Å; Y142-L733 HydrophobicContact CD2-CD1 4.11Å; Y142-L733 HydrophobicContact CE2-CD1 4.27Å; Q731-L733 PolarHBondContact O-N 3.2Å; L733-T735 PolarHBondContact O-N 3.34Å; L733-T735 VanDerWaalsContact O-N 3.13Å; L733-N736 PolarHBondContact O-N 3.38Å; L733-A779 HydrophobicContact CD2-CB 4.26Å
734A71Confident88.8Confident36 Ų3612.5 Ų12.530%0.2988%0.076SC..THydrogen-bonded Turntrans-50-43.6-17500000113E140 A732E140-A734 HydrophobicContact CG-CB 4.27Å; A732-A734 PolarHBondContact O-N 3.22Å
735T80.2Confident88.8Confident50 Ų5012.8 Ų12.831%0.3078%0.077SC..THydrogen-bonded Turntrans-111.56.5-167.362.90000114R710 L733 L737R710-T735 HydrophobicContact CB-CG2 4.42Å; R710-T735 PolarHBondContact NH2-O 3.11Å; R710-T735 VanDerWaalsContact O-CB 3.31Å; R710-T735 WeakPolarHBondContact O-CB 3.39Å; R710-T735 WeakPolarHBondContact O-CG2 3.48Å; R710-T735 PolarHBondContact O-OG1 3.35Å; L733-T735 PolarHBondContact O-N 3.34Å; L733-T735 VanDerWaalsContact O-N 3.13Å; T735-L737 PolarHBondContact O-N 3.09Å; T735-L737 VanDerWaalsContact O-N 3.14Å
736N86.6Confident88.6Confident89 Ų8912.8 Ų12.848%0.4768%0.077SC..THydrogen-bonded Turntrans5129.2-173.5-147.832.3000114R139 A732 L733 P738R139-N736 PolarHBondContact NH1-OD1 3.1Å; R139-N736 PolarHBondContact NH2-OD1 2.82Å; A732-N736 PolarHBondContact O-N 3.06Å; L733-N736 PolarHBondContact O-N 3.38Å; N736-P738 WeakPolarHBondContact O-CD 3.36Å
737L90.5Very high87.6Confident0 Ų016.2 Ų16.20%09%0.092CC..  trans-67.3112.4-171.3-176.168.7000110.6R710 L711 N730 A732 T735 I739 G863R710-L737 HydrophobicContact CB-CD1 3.97Å; R710-L737 HydrophobicContact CB-CD2 4.22Å; R710-L737 HydrophobicContact CB-CG 4.49Å; L711-L737 HydrophobicContact CB-CD2 4.04Å; L711-L737 HydrophobicContact CD1-CD2 4.13Å; N730-L737 PolarHBondContact ND2-O 3.15Å; A732-L737 HydrophobicContact CB-CB 3.95Å; A732-L737 PolarHBondContact O-N 3.31Å; T735-L737 PolarHBondContact O-N 3.09Å; T735-L737 VanDerWaalsContact O-N 3.14Å; L737-I739 HydrophobicContact CD2-CD1 4.11Å; L737-I739 HydrophobicContact CG-CD1 4.31Å; L737-G863 VanDerWaalsContact CD1-CA 3.42Å
738P94.4Very high85.9Confident20 Ų2018 Ų1813%0.1310%0.101CC..  trans-72.5145.4170.432-33.8000109.5N736 F740 R776 G863N736-P738 WeakPolarHBondContact O-CD 3.36Å; P738-F740 HydrophobicContact CB-CE2 3.99Å; P738-F740 HydrophobicContact CB-CZ 4.21Å; P738-F740 HydrophobicContact CG-CE2 3.81Å; P738-F740 HydrophobicContact CG-CZ 4.17Å; P738-R776 HydrophobicContact CB-CG 4.25Å; P738-G863 VanDerWaalsContact O-CA 3.24Å; P738-G863 WeakPolarHBondContact O-CA 3.41Å; P738-G863 PolarHBondContact O-N 2.98Å
739I96Very high83.6Confident0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-115.3130.1177.6-60.6-69.8000107.4L711 I716 L728 N730 L737 V741 V777 I860 L862L711-I739 HydrophobicContact CD1-CD1 4.47Å; I716-I739 HydrophobicContact CG2-CD1 3.73Å; I716-I739 HydrophobicContact CG2-CG1 3.67Å; I716-I739 HydrophobicContact CG2-CG2 4.43Å; L728-I739 HydrophobicContact CD1-CG2 4.44Å; L728-I739 HydrophobicContact CD2-CG2 4.43Å; N730-I739 HydrophobicContact CB-CG1 4.22Å; N730-I739 WeakPolarHBondContact ND2-CG1 3.25Å; L737-I739 HydrophobicContact CD2-CD1 4.11Å; L737-I739 HydrophobicContact CG-CD1 4.31Å; I739-V741 HydrophobicContact CG2-CG2 3.97Å; I739-V777 PolarHBondContact N-O 3.21Å; I739-V777 PolarHBondContact O-N 3.38Å; I739-I860 HydrophobicContact CG2-CG2 3.43Å; I739-I860 VanDerWaalsContact CG2-CG2 3.43Å; I739-L862 HydrophobicContact CD1-CD2 3.57Å
740F96.5Very high81Confident11 Ų1127.4 Ų27.45%0.04815%0.147CC..EExtended strand (participates in β ladder)trans-106.6128-177.7-63.2-93.8000108.9P738 V774 Y775 R776 I860 S861 K864 G865 W866 Y870P738-F740 HydrophobicContact CB-CE2 3.99Å; P738-F740 HydrophobicContact CB-CZ 4.21Å; P738-F740 HydrophobicContact CG-CE2 3.81Å; P738-F740 HydrophobicContact CG-CZ 4.17Å; F740-V774 HydrophobicContact CB-CG1 4Å; F740-V774 HydrophobicContact CD1-CG1 4.46Å; F740-Y775 WeakPolarHBondContact CA-O 3.39Å; F740-R776 HydrophobicContact CD1-CB 3.96Å; F740-R776 HydrophobicContact CD1-CG 4.23Å; F740-R776 HydrophobicContact CE1-CB 3.76Å; F740-R776 HydrophobicContact CE1-CG 3.68Å; F740-R776 HydrophobicContact CZ-CG 4.05Å; F740-I860 CarbonylContact O-C 3.59Å; F740-I860 WeakPolarHBondContact O-CA 3.5Å; F740-S861 PolarHBondContact N-O 3.41Å; F740-S861 PolarHBondContact O-N 3.45Å; F740-K864 WeakPolarHBondContact CD2-O 3.45Å; F740-K864 VanDerWaalsContact CE2-C 3.48Å; F740-G865 VanDerWaalsContact CD1-CA 3.48Å; F740-G865 VanDerWaalsContact CG-CA 3.48Å; F740-W866 HydrophobicContact CB-CE3 4.22Å; F740-W866 HydrophobicContact CB-CZ3 3.76Å; F740-W866 WeakPolarHBondContact O-CZ3 3.09Å; F740-Y870 AromaticContact CE1-CE1 3.84Å; F740-Y870 HydrophobicContact CE1-CE1 3.84Å; F740-Y870 AromaticContact CE1-CZ 3.85Å; F740-Y870 WeakPolarHBondContact CE1-OH 3.45Å; F740-Y870 HydrophobicContact CZ-CE1 4.44Å
741V95.7Very high78.2Confident0 Ų031.2 Ų31.20%018%0.179CC..EExtended strand (participates in β ladder)trans-130.2139.7-168.8-1720000111L728 I739 F746 V774 Y775 V777 L783 V785 I858 H859 I860L728-V741 HydrophobicContact CD1-CG2 3.96Å; L728-V741 HydrophobicContact CD2-CG2 4.4Å; I739-V741 HydrophobicContact CG2-CG2 3.97Å; V741-F746 HydrophobicContact CG1-CE2 4.24Å; V741-F746 HydrophobicContact CG1-CZ 4.16Å; V741-V774 CarbonylContact O-C 3.5Å; V741-V774 WeakPolarHBondContact O-CA 3.25Å; V741-Y775 PolarHBondContact N-O 2.82Å; V741-Y775 PolarHBondContact O-N 2.82Å; V741-V777 HydrophobicContact CG2-CG2 4.01Å; V741-L783 HydrophobicContact CB-CD2 4.42Å; V741-V785 HydrophobicContact CG1-CG1 3.83Å; V741-I858 HydrophobicContact CG1-CG2 3.78Å; V741-H859 CarbonylContact C-O 3.51Å; V741-H859 WeakPolarHBondContact CA-O 3.33Å; V741-I860 HydrophobicContact CG1-CG1 4.29Å; V741-I860 HydrophobicContact CG2-CG1 4.46Å
742S93.8Very high75.4Confident3 Ų338.4 Ų38.42%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-133.7129.1164.5-170.80000111.6R772 P773 H859S742-R772 PolarHBondContact O-NH2 3.03Å; S742-R772 VanDerWaalsContact O-NH2 3.13Å; S742-R772 WeakPolarHBondContact OG-CB 3.42Å; S742-R772 PolarHBondContact OG-NE 2.61Å; S742-P773 WeakPolarHBondContact CB-O 3.4Å; S742-P773 PolarHBondContact OG-O 3.3Å; S742-H859 PolarHBondContact N-O 3.47Å; S742-H859 PolarHBondContact O-N 3.38Å
743S91.6Very high72.5Confident0 Ų042.4 Ų42.40%025%0.245CC..  trans-123.9152.5-178.3178.40000110.8C745 F746 V785S743-C745 PolarHBondContact O-N 2.74Å; S743-C745 PolarHBondContact OG-N 3.42Å; S743-F746 VanDerWaalsContact N-CD2 3.29Å; S743-F746 VanDerWaalsContact N-CE2 3.29Å; S743-F746 PolarHBondContact O-N 3.13Å; S743-V785 WeakPolarHBondContact CB-O 3.49Å; S743-V785 PolarHBondContact OG-O 3.46Å
744P84.2Confident70.1Confident15 Ų1546 Ų4610%0.09727%0.27CS..G310 helixtrans-57-33.9168.2-22.134.9000112.1F746 H747 F748 Y791 P856 I857P744-F746 PolarHBondContact O-N 2.88Å; P744-H747 PolarHBondContact O-N 2.89Å; P744-F748 VanDerWaalsContact O-CE1 3.25Å; P744-F748 WeakPolarHBondContact O-CE1 3.42Å; P744-F748 WeakPolarHBondContact O-CZ 3.23Å; P744-Y791 HydrophobicContact CB-CD2 4.25Å; P744-Y791 HydrophobicContact CB-CE2 3.8Å; P744-Y791 HydrophobicContact CG-CE2 4.4Å; P744-P856 HydrophobicContact CG-CB 3.82Å; P744-I857 WeakPolarHBondContact CD-O 2.51Å
745C82.5Confident68Low9 Ų950.5 Ų50.56%0.06130%0.3CS..G310 helixtrans-69.62.7-177.8-58.60000115S743 F748 F786S743-C745 PolarHBondContact O-N 2.74Å; S743-C745 PolarHBondContact OG-N 3.42Å; C745-F748 HydrophobicContact CB-CD2 4.36Å; C745-F748 HydrophobicContact CB-CE2 4.15Å; C745-F786 WeakPolarHBondContact SG-CD2 3.26Å
746F83.5Confident65.3Low9 Ų952.8 Ų52.84%0.03932%0.318CS..G310 helixtrans-92.6-23.8-179.5-61-13.2000113.2V741 S743 P744 P773 Y775 L783 V785V741-F746 HydrophobicContact CG1-CE2 4.24Å; V741-F746 HydrophobicContact CG1-CZ 4.16Å; S743-F746 VanDerWaalsContact N-CD2 3.29Å; S743-F746 VanDerWaalsContact N-CE2 3.29Å; S743-F746 PolarHBondContact O-N 3.13Å; P744-F746 PolarHBondContact O-N 2.88Å; F746-P773 HydrophobicContact CB-CG 3.69Å; F746-Y775 HydrophobicContact CB-CE2 4.08Å; F746-Y775 HydrophobicContact CD1-CE2 4.48Å; F746-Y775 AromaticContact CD2-CD2 3.42Å; F746-Y775 HydrophobicContact CD2-CD2 3.42Å; F746-Y775 VanDerWaalsContact CD2-CD2 3.42Å; F746-Y775 AromaticContact CD2-CE2 3.7Å; F746-Y775 HydrophobicContact CD2-CE2 3.7Å; F746-Y775 AromaticContact CE2-CD2 3.52Å; F746-Y775 HydrophobicContact CE2-CD2 3.52Å; F746-Y775 HydrophobicContact CE2-CE2 4.21Å; F746-Y775 HydrophobicContact CE2-CG 4.31Å; F746-Y775 HydrophobicContact CG-CD2 4.03Å; F746-Y775 AromaticContact CG-CE2 3.86Å; F746-Y775 HydrophobicContact CG-CE2 3.86Å; F746-Y775 HydrophobicContact CZ-CD2 4.22Å; F746-L783 HydrophobicContact CZ-CD2 3.84Å; F746-L783 HydrophobicContact CZ-CG 4.44Å; F746-V785 HydrophobicContact CZ-CG1 4.4Å
747H67.5Low62.4Low71 Ų7153.1 Ų53.133%0.32933%0.327SS..G310 helixtrans-73.7-26.8177.5-75.894.9000113.8P744 H749 N750 D771 R772P744-H747 PolarHBondContact O-N 2.89Å; H747-H749 PolarHBondContact O-N 3.31Å; H747-N750 PolarHBondContact O-N 2.77Å; H747-D771 PolarHBondContact CE1-O 2.92Å; H747-D771 PolarHBondContact NE2-O 2.93Å; H747-R772 VanDerWaalsContact CE1-CA 3.48Å; H747-R772 WeakPolarHBondContact CE1-CA 3.24Å
748F56.2Low59.2Low43 Ų4359.4 Ų59.419%0.18937%0.371CS..G310 helixtrans-64.6-11.9-167.1-51.2-20.9000114.1P744 C745 S790 Y791 W794P744-F748 VanDerWaalsContact O-CE1 3.25Å; P744-F748 WeakPolarHBondContact O-CE1 3.42Å; P744-F748 WeakPolarHBondContact O-CZ 3.23Å; C745-F748 HydrophobicContact CB-CD2 4.36Å; C745-F748 HydrophobicContact CB-CE2 4.15Å; F748-S790 WeakPolarHBondContact CD2-O 3.3Å; F748-S790 WeakPolarHBondContact CE2-O 3.43Å; F748-Y791 AromaticContact CE2-CD2 3.97Å; F748-Y791 HydrophobicContact CE2-CD2 3.97Å; F748-Y791 AromaticContact CZ-CD2 3.71Å; F748-Y791 HydrophobicContact CZ-CD2 3.71Å; F748-Y791 HydrophobicContact CZ-CE2 4.26Å; F748-W794 HydrophobicContact CD1-CB 3.86Å; F748-W794 AromaticContact CD1-CD1 3.49Å; F748-W794 VanDerWaalsContact CD1-CD1 3.49Å; F748-W794 HydrophobicContact CD1-CD2 4.25Å; F748-W794 AromaticContact CD1-CG 3.57Å; F748-W794 HydrophobicContact CD1-CG 3.57Å; F748-W794 HydrophobicContact CD2-CB 4.22Å; F748-W794 HydrophobicContact CE1-CB 3.61Å; F748-W794 AromaticContact CE1-CD1 3.42Å; F748-W794 VanDerWaalsContact CE1-CD1 3.42Å; F748-W794 AromaticContact CE1-CD2 3.37Å; F748-W794 HydrophobicContact CE1-CD2 3.37Å; F748-W794 AromaticContact CE1-CE2 3.76Å; F748-W794 HydrophobicContact CE1-CE3 4.04Å; F748-W794 AromaticContact CE1-CG 3.14Å; F748-W794 HydrophobicContact CE1-CG 3.14Å; F748-W794 AromaticContact CE1-NE1 3.74Å; F748-W794 HydrophobicContact CE2-CB 3.96Å; F748-W794 HydrophobicContact CE2-CG 4.36Å; F748-W794 HydrophobicContact CG-CB 4.19Å; F748-W794 HydrophobicContact CG-CG 4.38Å; F748-W794 HydrophobicContact CZ-CB 3.65Å; F748-W794 AromaticContact CZ-CD2 3.71Å; F748-W794 HydrophobicContact CZ-CD2 3.71Å; F748-W794 AromaticContact CZ-CE3 3.94Å; F748-W794 HydrophobicContact CZ-CE3 3.94Å; F748-W794 AromaticContact CZ-CG 3.59Å; F748-W794 HydrophobicContact CZ-CG 3.59Å
749H47.1Very low55.9Low96 Ų9662.6 Ų62.644%0.44439%0.394SS..G310 helixtrans-94.1-19.4174.4-74.6-69.1000114.9V293 K297 H747 A751V293-H749 WeakPolarHBondContact CG1-NE2 3.35Å; K297-H749 PolarHBondContact NZ-CD2 3.22Å; H747-H749 PolarHBondContact O-N 3.31Å; H749-A751 VanDerWaalsContact C-N 3.34Å
750N38.6Very low52.5Low102 Ų10268.3 Ų68.355%0.54543%0.434SS..G310 helixtrans-84.9-5.7-178.4-11612.5000113.7H747 N752 C753H747-N750 PolarHBondContact O-N 2.77Å; N750-N752 PolarHBondContact O-N 2.91Å; N750-N752 VanDerWaalsContact O-N 3.08Å; N750-C753 PolarHBondContact O-N 2.89Å
751A35Very low49.2Very low80 Ų8073.7 Ų73.766%0.66146%0.463SS*.G310 helixtrans-63.4-12.8-178.400000114.7H749 C753H749-A751 VanDerWaalsContact C-N 3.34Å; A751-C753 VanDerWaalsContact C-N 3.31Å
752N29.8Very low45.8Very low162 Ų16282.2 Ų82.287%0.86651%0.508SS*.G310 helixtrans-87.47.8173.9-75-0.9000113.7N750N750-N752 PolarHBondContact O-N 2.91Å; N750-N752 VanDerWaalsContact O-N 3.08Å
753C24.5Very low42.5Very low84 Ų8484.3 Ų84.357%0.56852%0.523SS*.SBendtrans-121141.7174.1-77.40000111.6N750 A751N750-C753 PolarHBondContact O-N 2.89Å; A751-C753 VanDerWaalsContact C-N 3.31Å
754S28Very low39.4Very low85 Ų8588.4 Ų88.459%0.59455%0.551SS**  trans55.381.2175.847.40000116.3S756S754-S756 PolarHBondContact O-N 2.87Å
755S25.2Very low37Very low132 Ų13290.8 Ų90.892%0.92357%0.572SS**  trans-71.358.2159.957.80000111.7
756S24.3Very low34.6Very low98 Ų9896.3 Ų96.369%0.68560%0.597SS**  trans-158.144.1-166.964.90000115.9S754S754-S756 PolarHBondContact O-N 2.87Å
757S25.7Very low32.2Very low95 Ų95100.1 Ų100.166%0.66462%0.618SS**  trans-155.575.6166.161.10000112.9S759S757-S759 PolarHBondContact O-N 3.12Å
758S23.6Very low31Very low133 Ų133103.9 Ų103.993%0.9363%0.634SS**  trans-79.462.6172.358.70000111.7
759S25.3Very low30.6Very low87 Ų87105.8 Ų105.861%0.60865%0.645SS**  trans-83.8113.2173.443.50000110.7S757 L761S757-S759 PolarHBondContact O-N 3.12Å; S759-L761 PolarHBondContact O-N 3.33Å
760S23.5Very low30.7Very low119 Ų119106.5 Ų106.583%0.83266%0.656SS**  trans-66.2111.4178.853.70000111.8
761L27.4Very low31.8Very low125 Ų125108.3 Ų108.365%0.65467%0.666SS**  trans-123.186.2176.6-78.1170000112S759 S763S759-L761 PolarHBondContact O-N 3.33Å; L761-S763 PolarHBondContact O-N 3.37Å; L761-S763 VanDerWaalsContact O-N 3.09Å
762N24.1Very low33.8Very low179 Ų179106.1 Ų106.196%0.95764%0.641SS**  trans-7667150.7-77.2-27.1000108.6
763S24Very low36.6Very low47 Ų47100.7 Ų100.733%0.32961%0.614SS.*  trans-119.2153.8170.878.80000110.9L761 D767L761-S763 PolarHBondContact O-N 3.37Å; L761-S763 VanDerWaalsContact O-N 3.09Å; S763-D767 WeakPolarHBondContact CB-OD2 3.37Å; S763-D767 PolarHBondContact OG-OD2 2.92Å
764S28Very low39.8Very low85 Ų8598 Ų9859%0.59460%0.595SS**  trans-64.7146.9-176.244.90000112.1E766 D767S764-E766 PolarHBondContact O-N 3.33Å; S764-D767 PolarHBondContact O-N 2.96Å
765A32.9Very low42.9Very low66 Ų6695.6 Ų95.655%0.54557%0.573SS.*THydrogen-bonded Turntrans-70.156.7-175.700000114.7K854A765-K854 HydrophobicContact CB-CD 4.45Å; A765-K854 PolarHBondContact O-NZ 3.23Å
766E32.5Very low46.2Very low125 Ų12593.5 Ų93.558%0.58455%0.545SS*.THydrogen-bonded Turntrans-130-33.7174.8-51.4-97.8123.400109.6S764 F768 L769 K854S764-E766 PolarHBondContact O-N 3.33Å; E766-F768 PolarHBondContact O-N 2.89Å; E766-L769 WeakPolarHBondContact O-CG 3.48Å; E766-L769 PolarHBondContact O-N 2.96Å; E766-K854 IonicContact OE1-NZ 2.6Å; E766-K854 PolarHBondContact OE1-NZ 3.14Å
767D32.3Very low49.6Very low89 Ų8988.9 Ų88.948%0.47651%0.512SS..G310 helixtrans-60.8-26.7-179.2-63.8-29.1000113.9S763 S764 L769 V770S763-D767 WeakPolarHBondContact CB-OD2 3.37Å; S763-D767 PolarHBondContact OG-OD2 2.92Å; S764-D767 PolarHBondContact O-N 2.96Å; D767-L769 PolarHBondContact O-N 2.94Å; D767-V770 PolarHBondContact O-N 2.89Å
768F43.8Very low52.9Low150 Ų15085.9 Ų85.966%0.65849%0.491SS*.G310 helixtrans-62.96.6176.3-86.6-84.7000115E766 R772E766-F768 PolarHBondContact O-N 2.89Å; F768-R772 VanDerWaalsContact O-CD 3.27Å; F768-R772 WeakPolarHBondContact O-CD 3.07Å; F768-R772 WeakPolarHBondContact O-CG 3.27Å
769L47.6Very low56.1Low83 Ų8380 Ų8044%0.43545%0.451SS..G310 helixtrans-86.4-21.2173.2-70.8176.3000114.3E766 D767 H859E766-L769 WeakPolarHBondContact O-CG 3.48Å; E766-L769 PolarHBondContact O-N 2.96Å; D767-L769 PolarHBondContact O-N 2.94Å; L769-H859 WeakPolarHBondContact CD2-NE2 3.42Å
770V48.7Very low59.1Low111 Ų11176 Ų7667%0.67342%0.422SS*.THydrogen-bonded Turntrans-74.2-53.4-170.2-1750000111.9D767 R772D767-V770 PolarHBondContact O-N 2.89Å; V770-R772 VanDerWaalsContact C-N 3.3Å; V770-R772 PolarHBondContact O-N 3.04Å
771D61.6Low62.5Low140 Ų14072.1 Ų72.175%0.74939%0.39SS*.THydrogen-bonded Turntrans-90.732.9-174.6-63.9-43.4000113.9H747H747-D771 PolarHBondContact CE1-O 2.92Å; H747-D771 PolarHBondContact NE2-O 2.93Å
772R77.4Confident65.6Low34 Ų3466.1 Ų66.113%0.12836%0.358CS..  trans-90.3127.1178.1-49.3-125.3-54.6-137.42.2112.1S742 H747 F768 V770 V774 I857S742-R772 PolarHBondContact O-NH2 3.03Å; S742-R772 VanDerWaalsContact O-NH2 3.13Å; S742-R772 WeakPolarHBondContact OG-CB 3.42Å; S742-R772 PolarHBondContact OG-NE 2.61Å; H747-R772 VanDerWaalsContact CE1-CA 3.48Å; H747-R772 WeakPolarHBondContact CE1-CA 3.24Å; F768-R772 VanDerWaalsContact O-CD 3.27Å; F768-R772 WeakPolarHBondContact O-CD 3.07Å; F768-R772 WeakPolarHBondContact O-CG 3.27Å; V770-R772 VanDerWaalsContact C-N 3.3Å; V770-R772 PolarHBondContact O-N 3.04Å; R772-V774 WeakPolarHBondContact O-CG2 3.49Å; R772-I857 PolarHBondContact NH2-O 2.97Å
773P88.6Confident68.9Low47 Ų4757.6 Ų57.631%0.30531%0.313SS..  trans-62.9144.5178.527.5-35.2000111S742 F746 Y775S742-P773 WeakPolarHBondContact CB-O 3.4Å; S742-P773 PolarHBondContact OG-O 3.3Å; F746-P773 HydrophobicContact CB-CG 3.69Å; P773-Y775 HydrophobicContact CB-CE2 4.13Å; P773-Y775 HydrophobicContact CG-CE2 4.28Å
774V91.7Very high72.2Confident28 Ų2855.6 Ų55.617%0.1730%0.299CS..  trans-118.8100.6-173.4-175.40000109.5F740 V741 R772 W866F740-V774 HydrophobicContact CB-CG1 4Å; F740-V774 HydrophobicContact CD1-CG1 4.46Å; V741-V774 CarbonylContact O-C 3.5Å; V741-V774 WeakPolarHBondContact O-CA 3.25Å; R772-V774 WeakPolarHBondContact O-CG2 3.49Å; V774-W866 HydrophobicContact CG1-CD2 3.96Å; V774-W866 HydrophobicContact CG1-CE3 3.85Å; V774-W866 HydrophobicContact CG1-CH2 3.93Å; V774-W866 HydrophobicContact CG1-CZ2 4.03Å; V774-W866 HydrophobicContact CG1-CZ3 3.83Å; V774-W866 HydrophobicContact CG2-CD2 3.97Å; V774-W866 VanDerWaalsContact CG2-CE2 3.45Å; V774-W866 HydrophobicContact CG2-CG 4.27Å; V774-W866 HydrophobicContact CG2-CZ2 3.81Å; V774-W866 WeakPolarHBondContact CG2-O 3.26Å
775Y93.4Very high75.2Confident35 Ų3551.6 Ų51.614%0.13727%0.27CS..EExtended strand (participates in β ladder)trans-82.1127.1-179.1-76.3-95.4000111L284 Q286 F740 V741 F746 P773 L783L284-Y775 HydrophobicContact CD2-CD1 4.29Å; Q286-Y775 HydrophobicContact CB-CE1 4Å; Q286-Y775 HydrophobicContact CG-CD1 4.46Å; Q286-Y775 HydrophobicContact CG-CE1 3.9Å; F740-Y775 WeakPolarHBondContact CA-O 3.39Å; V741-Y775 PolarHBondContact N-O 2.82Å; V741-Y775 PolarHBondContact O-N 2.82Å; F746-Y775 HydrophobicContact CB-CE2 4.08Å; F746-Y775 HydrophobicContact CD1-CE2 4.48Å; F746-Y775 AromaticContact CD2-CD2 3.42Å; F746-Y775 HydrophobicContact CD2-CD2 3.42Å; F746-Y775 VanDerWaalsContact CD2-CD2 3.42Å; F746-Y775 AromaticContact CD2-CE2 3.7Å; F746-Y775 HydrophobicContact CD2-CE2 3.7Å; F746-Y775 AromaticContact CE2-CD2 3.52Å; F746-Y775 HydrophobicContact CE2-CD2 3.52Å; F746-Y775 HydrophobicContact CE2-CE2 4.21Å; F746-Y775 HydrophobicContact CE2-CG 4.31Å; F746-Y775 HydrophobicContact CG-CD2 4.03Å; F746-Y775 AromaticContact CG-CE2 3.86Å; F746-Y775 HydrophobicContact CG-CE2 3.86Å; F746-Y775 HydrophobicContact CZ-CD2 4.22Å; P773-Y775 HydrophobicContact CB-CE2 4.13Å; P773-Y775 HydrophobicContact CG-CE2 4.28Å; Y775-L783 HydrophobicContact CG-CD2 4.35Å
776R94.8Very high78Confident88 Ų8848.5 Ų48.533%0.33224%0.244SC..EExtended strand (participates in β ladder)trans-84.9113.7170.7179175.9172.9-113.911.8109.4D336 P738 F740 P778D336-R776 IonicContact OD2-CZ 3.18Å; D336-R776 IonicContact OD2-NH1 3.79Å; D336-R776 PolarHBondContact OD2-NH1 3.21Å; D336-R776 IonicContact OD2-NH2 3.89Å; P738-R776 HydrophobicContact CB-CG 4.25Å; F740-R776 HydrophobicContact CD1-CB 3.96Å; F740-R776 HydrophobicContact CD1-CG 4.23Å; F740-R776 HydrophobicContact CE1-CB 3.76Å; F740-R776 HydrophobicContact CE1-CG 3.68Å; F740-R776 HydrophobicContact CZ-CG 4.05Å; R776-P778 WeakPolarHBondContact O-CD 3.49Å
777V95.4Very high80.6Confident0 Ų043.5 Ų43.50%022%0.222CC..EExtended strand (participates in β ladder)trans-99.9106.6176.4-172.40000109.1L284 L728 N730 I739 V741 L783L284-V777 HydrophobicContact CD2-CG2 4.38Å; L728-V777 HydrophobicContact CD2-CB 4.44Å; L728-V777 HydrophobicContact CD2-CG1 4.13Å; L728-V777 HydrophobicContact CD2-CG2 4.35Å; N730-V777 HydrophobicContact CB-CG1 3.94Å; N730-V777 PolarHBondContact ND2-O 3.48Å; I739-V777 PolarHBondContact N-O 3.21Å; I739-V777 PolarHBondContact O-N 3.38Å; V741-V777 HydrophobicContact CG2-CG2 4.01Å; V777-L783 HydrophobicContact CG2-CB 3.9Å; V777-L783 HydrophobicContact CG2-CD2 3.59Å; V777-L783 HydrophobicContact CG2-CG 4.4Å
778P94.1Very high83Confident33 Ų3339.3 Ų39.321%0.21420%0.2CC..  trans-68165.4178.6-1529.5000112.1N730 R776 G780 Y781N730-P778 WeakPolarHBondContact CB-O 3.37Å; N730-P778 VanDerWaalsContact ND2-C 3.28Å; N730-P778 PolarHBondContact ND2-O 3.16Å; R776-P778 WeakPolarHBondContact O-CD 3.49Å; P778-G780 PolarHBondContact O-N 3.37Å; P778-Y781 HydrophobicContact CB-CD2 3.66Å; P778-Y781 HydrophobicContact CB-CE2 3.96Å; P778-Y781 HydrophobicContact CB-CG 4.41Å; P778-Y781 HydrophobicContact CG-CD2 3.9Å; P778-Y781 HydrophobicContact CG-CE2 4.11Å; P778-Y781 HydrophobicContact CG-CG 4.28Å; P778-Y781 PolarHBondContact O-N 2.95Å
779A90.4Very high84.8Confident10 Ų1034.2 Ų34.28%0.08318%0.183CC..THydrogen-bonded Turntrans-64.6129.6176.400000110.9N730 A732 L733N730-A779 WeakPolarHBondContact ND2-CA 3.29Å; N730-A779 PolarHBondContact ND2-N 3.23Å; A732-A779 WeakPolarHBondContact O-CB 3.44Å; L733-A779 HydrophobicContact CD2-CB 4.26Å
780G89.3Confident86.4Confident1 Ų131.9 Ų31.91%0.0117%0.173CC..THydrogen-bonded Turntrans85.412.1-17400000115.5W247 S281 R282 N730 P778W247-G780 WeakPolarHBondContact CZ2-O 3.17Å; S281-G780 WeakPolarHBondContact CA-O 3.2Å; S281-G780 PolarHBondContact OG-O 2.98Å; S281-G780 VanDerWaalsContact OG-O 3.09Å; R282-G780 PolarHBondContact N-O 3.06Å; R282-G780 VanDerWaalsContact N-O 3.14Å; N730-G780 WeakPolarHBondContact O-CA 3.47Å; N730-G780 PolarHBondContact O-N 3.11Å; P778-G780 PolarHBondContact O-N 3.37Å
781Y94Very high88Confident38 Ų3827.2 Ų27.215%0.14914%0.143CC..EExtended strand (participates in β ladder)trans-109.9152.4173.7-74.6-107.4000112W247 S281 R282 L284 N730 P778W247-Y781 AromaticContact NE1-CE2 3.81Å; S281-Y781 WeakPolarHBondContact OG-CA 3.29Å; S281-Y781 PolarHBondContact OG-O 3.01Å; R282-Y781 HydrophobicContact CB-CD1 3.86Å; R282-Y781 HydrophobicContact CB-CE1 3.75Å; R282-Y781 HydrophobicContact CB-CG 4.42Å; R282-Y781 HydrophobicContact CG-CD1 4.26Å; R282-Y781 HydrophobicContact CG-CE1 3.81Å; R282-Y781 PolarHBondContact NH1-OH 2.87Å; R282-Y781 CarbonylContact O-C 3.58Å; R282-Y781 VanDerWaalsContact O-CA 3.24Å; R282-Y781 WeakPolarHBondContact O-CA 3.43Å; R282-Y781 WeakPolarHBondContact O-CD1 3.38Å; L284-Y781 HydrophobicContact CB-CD1 4.4Å; L284-Y781 HydrophobicContact CD1-CD1 3.92Å; L284-Y781 HydrophobicContact CD1-CE1 4.41Å; N730-Y781 PolarHBondContact N-O 3.23Å; P778-Y781 HydrophobicContact CB-CD2 3.66Å; P778-Y781 HydrophobicContact CB-CE2 3.96Å; P778-Y781 HydrophobicContact CB-CG 4.41Å; P778-Y781 HydrophobicContact CG-CD2 3.9Å; P778-Y781 HydrophobicContact CG-CE2 4.11Å; P778-Y781 HydrophobicContact CG-CG 4.28Å; P778-Y781 PolarHBondContact O-N 2.95Å
782S94Very high88.7Confident0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-121.1135175.4-66.40000111.2S281 R282 V283 L284 L728 S729S281-S782 WeakPolarHBondContact CB-OG 3.45Å; S281-S782 PolarHBondContact OG-N 3.26Å; S281-S782 VanDerWaalsContact OG-N 3.1Å; S281-S782 PolarHBondContact OG-OG 2.99Å; R282-S782 PolarHBondContact O-N 2.89Å; V283-S782 CarbonylContact C-O 3.54Å; V283-S782 WeakPolarHBondContact CA-O 3.43Å; L284-S782 PolarHBondContact N-O 2.86Å; L728-S782 CarbonylContact O-C 3.58Å; L728-S782 WeakPolarHBondContact O-CA 3.47Å; S729-S782 VanDerWaalsContact CB-OG 3.26Å; S729-S782 WeakPolarHBondContact CB-OG 3.39Å; S729-S782 PolarHBondContact OG-OG 3.28Å
783L93.6Very high88.7Confident0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-121.8136.5180178.959.5000109.7L284 Q286 L728 V741 F746 Y775 V777 V785L284-L783 HydrophobicContact CB-CD1 4.34Å; L284-L783 HydrophobicContact CD2-CD1 4.18Å; L284-L783 HydrophobicContact CD2-CD2 4.45Å; L284-L783 WeakPolarHBondContact O-CD1 3.35Å; Q286-L783 HydrophobicContact CG-CD1 3.8Å; L728-L783 PolarHBondContact N-O 3.19Å; L728-L783 PolarHBondContact O-N 2.99Å; V741-L783 HydrophobicContact CB-CD2 4.42Å; F746-L783 HydrophobicContact CZ-CD2 3.84Å; F746-L783 HydrophobicContact CZ-CG 4.44Å; Y775-L783 HydrophobicContact CG-CD2 4.35Å; V777-L783 HydrophobicContact CG2-CB 3.9Å; V777-L783 HydrophobicContact CG2-CD2 3.59Å; V777-L783 HydrophobicContact CG2-CG 4.4Å; L783-V785 HydrophobicContact CB-CG1 4.19Å; L783-V785 HydrophobicContact CD2-CG1 4.1Å; L783-V785 HydrophobicContact CG-CG1 3.94Å; L783-V785 PolarHBondContact O-N 3.18Å
784L91.9Very high88.2Confident5 Ų524.1 Ų24.13%0.02612%0.122CC..EExtended strand (participates in β ladder)trans-74.2105.5168.9177.959.3000108.1Q286 K297 Y298 C725 W727 F786Q286-L784 PolarHBondContact NE2-O 2.91Å; K297-L784 HydrophobicContact CD-CD2 4.14Å; K297-L784 HydrophobicContact CG-CD2 3.8Å; Y298-L784 HydrophobicContact CE1-CD2 4.22Å; C725-L784 HydrophobicContact CB-CD1 3.83Å; W727-L784 HydrophobicContact CD2-CB 4.33Å; W727-L784 HydrophobicContact CD2-CD1 4.39Å; W727-L784 HydrophobicContact CE3-CB 4.19Å; W727-L784 HydrophobicContact CH2-CB 3.82Å; W727-L784 HydrophobicContact CZ2-CB 3.93Å; W727-L784 HydrophobicContact CZ2-CD1 4.27Å; W727-L784 HydrophobicContact CZ2-CG 4.47Å; W727-L784 HydrophobicContact CZ3-CB 3.96Å; W727-L784 VanDerWaalsContact CZ3-N 3.34Å; L784-F786 VanDerWaalsContact CD1-O 3.25Å; L784-F786 WeakPolarHBondContact CD1-O 3.29Å
785V92.2Very high87.3Confident0 Ų023.9 Ų23.90%012%0.119CC..EExtended strand (participates in β ladder)trans-102.4-11.7-172.4-64.20000113.7L718 V726 L728 V741 S743 F746 L783 I858L718-V785 HydrophobicContact CD2-CG2 4.39Å; V726-V785 HydrophobicContact CB-CG2 4.27Å; V726-V785 HydrophobicContact CG1-CG2 4.07Å; V726-V785 WeakPolarHBondContact O-CG2 2.96Å; V726-V785 PolarHBondContact O-N 3.36Å; L728-V785 HydrophobicContact CB-CB 4.38Å; L728-V785 HydrophobicContact CB-CG1 3.54Å; L728-V785 HydrophobicContact CB-CG2 3.89Å; V741-V785 HydrophobicContact CG1-CG1 3.83Å; S743-V785 WeakPolarHBondContact CB-O 3.49Å; S743-V785 PolarHBondContact OG-O 3.46Å; F746-V785 HydrophobicContact CZ-CG1 4.4Å; L783-V785 HydrophobicContact CB-CG1 4.19Å; L783-V785 HydrophobicContact CD2-CG1 4.1Å; L783-V785 HydrophobicContact CG-CG1 3.94Å; L783-V785 PolarHBondContact O-N 3.18Å; V785-I858 HydrophobicContact CB-CD1 4.2Å; V785-I858 HydrophobicContact CB-CG2 4.27Å; V785-I858 HydrophobicContact CG2-CD1 3.89Å
786F90.5Very high86.2Confident1 Ų126.5 Ų26.50%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-152.4145.1166.9-175.1-97.5000109.8C725 V726 C745 L784 L788 Y791 P856 I858 I886 L888 L891C725-F786 CarbonylContact C-O 3.57Å; C725-F786 VanDerWaalsContact CA-O 3.31Å; C725-F786 WeakPolarHBondContact CA-O 3.47Å; V726-F786 HydrophobicContact CB-CB 3.91Å; V726-F786 HydrophobicContact CG2-CB 4Å; V726-F786 HydrophobicContact CG2-CD1 4.28Å; V726-F786 PolarHBondContact N-O 3.18Å; V726-F786 PolarHBondContact O-N 3.11Å; V726-F786 VanDerWaalsContact O-N 3.17Å; C745-F786 WeakPolarHBondContact SG-CD2 3.26Å; L784-F786 VanDerWaalsContact CD1-O 3.25Å; L784-F786 WeakPolarHBondContact CD1-O 3.29Å; F786-L788 HydrophobicContact CE1-CB 4.02Å; F786-L788 HydrophobicContact CE1-CD1 4.19Å; F786-L788 HydrophobicContact CZ-CD1 4.39Å; F786-Y791 HydrophobicContact CE2-CD1 4.42Å; F786-Y791 AromaticContact CE2-CD2 3.83Å; F786-Y791 HydrophobicContact CE2-CD2 3.83Å; F786-Y791 HydrophobicContact CE2-CE2 4.49Å; F786-Y791 AromaticContact CE2-CG 3.8Å; F786-Y791 HydrophobicContact CE2-CG 3.8Å; F786-Y791 HydrophobicContact CZ-CD1 4.33Å; F786-Y791 HydrophobicContact CZ-CD2 4.47Å; F786-Y791 AromaticContact CZ-CG 3.97Å; F786-Y791 HydrophobicContact CZ-CG 3.97Å; F786-P856 HydrophobicContact CE2-CB 4.21Å; F786-P856 HydrophobicContact CE2-CG 3.73Å; F786-P856 HydrophobicContact CZ-CG 4.24Å; F786-I858 HydrophobicContact CB-CD1 4.11Å; F786-I886 HydrophobicContact CD1-CG2 4.32Å; F786-I886 HydrophobicContact CD2-CG1 4.38Å; F786-I886 HydrophobicContact CE1-CG2 4.05Å; F786-I886 HydrophobicContact CG-CG1 4.39Å; F786-I886 HydrophobicContact CZ-CG2 4.16Å; F786-L888 HydrophobicContact CZ-CD2 3.84Å; F786-L891 HydrophobicContact CD1-CD1 4.38Å; F786-L891 HydrophobicContact CE1-CD1 3.86Å
787D86.6Confident84.9Confident21 Ų2128 Ų2811%0.11214%0.143CC..  trans-138120171.1166.67.9000106.8S789 S790 Y791D787-S789 PolarHBondContact OD1-N 3.04Å; D787-S790 PolarHBondContact OD1-N 3.32Å; D787-S790 VanDerWaalsContact OD2-CB 3.25Å; D787-S790 WeakPolarHBondContact OD2-CB 3.41Å; D787-S790 PolarHBondContact OD2-OG 3.3Å; D787-Y791 WeakPolarHBondContact O-CB 3.37Å; D787-Y791 PolarHBondContact O-N 3.18Å; D787-Y791 VanDerWaalsContact O-N 3.09Å
788L84.2Confident83.4Confident1 Ų131.9 Ų31.91%0.00516%0.161CC..Hα-helixtrans-62.2-46-177.6-178.268.7000111.3F786 Y791 E792 L888 L891 F895F786-L788 HydrophobicContact CE1-CB 4.02Å; F786-L788 HydrophobicContact CE1-CD1 4.19Å; F786-L788 HydrophobicContact CZ-CD1 4.39Å; L788-Y791 CarbonylContact O-C 3.6Å; L788-Y791 WeakPolarHBondContact O-CB 2.96Å; L788-Y791 PolarHBondContact O-N 2.83Å; L788-Y791 VanDerWaalsContact O-N 3.11Å; L788-E792 HydrophobicContact CG-CG 4.4Å; L788-E792 WeakPolarHBondContact CG-OE1 3.35Å; L788-E792 WeakPolarHBondContact O-CG 3.38Å; L788-E792 PolarHBondContact O-N 2.76Å; L788-L888 HydrophobicContact CD1-CD2 4.11Å; L788-L891 HydrophobicContact CD1-CB 4.04Å; L788-L891 HydrophobicContact CD1-CD1 4.45Å; L788-L891 HydrophobicContact CD2-CB 4.1Å; L788-F895 HydrophobicContact CD2-CB 3.63Å; L788-F895 HydrophobicContact CD2-CD1 4.24Å; L788-F895 HydrophobicContact CD2-CD2 4.36Å; L788-F895 HydrophobicContact CD2-CG 3.86Å
789S80.5Confident81.5Confident43 Ų4330.9 Ų30.930%0.30116%0.155SC..Hα-helixtrans-69.6-40.5-175.5-174.20000111.3D787 Y791 E792 N793D787-S789 PolarHBondContact OD1-N 3.04Å; S789-Y791 VanDerWaalsContact C-N 3.26Å; S789-Y791 PolarHBondContact O-N 3.46Å; S789-E792 PolarHBondContact O-N 3.35Å; S789-N793 PolarHBondContact O-N 3.44Å; S789-N793 PolarHBondContact O-ND2 3.3Å; S789-N793 VanDerWaalsContact O-ND2 3.13Å
790S81.4Confident79.4Confident33 Ų3333.5 Ų33.523%0.23117%0.173CC..Hα-helixtrans-60.5-35170.8-69.50000112.6F748 D787 W794F748-S790 WeakPolarHBondContact CD2-O 3.3Å; F748-S790 WeakPolarHBondContact CE2-O 3.43Å; D787-S790 PolarHBondContact OD1-N 3.32Å; D787-S790 VanDerWaalsContact OD2-CB 3.25Å; D787-S790 WeakPolarHBondContact OD2-CB 3.41Å; D787-S790 PolarHBondContact OD2-OG 3.3Å; S790-W794 PolarHBondContact O-N 2.91Å
791Y82.5Confident77.4Confident14 Ų1436.6 Ų36.66%0.05519%0.194CC..Hα-helixtrans-75.8-37.6178.4-167.4-90.6000113.2P744 F748 F786 D787 L788 S789 W794 L795 P856 L888P744-Y791 HydrophobicContact CB-CD2 4.25Å; P744-Y791 HydrophobicContact CB-CE2 3.8Å; P744-Y791 HydrophobicContact CG-CE2 4.4Å; F748-Y791 AromaticContact CE2-CD2 3.97Å; F748-Y791 HydrophobicContact CE2-CD2 3.97Å; F748-Y791 AromaticContact CZ-CD2 3.71Å; F748-Y791 HydrophobicContact CZ-CD2 3.71Å; F748-Y791 HydrophobicContact CZ-CE2 4.26Å; F786-Y791 HydrophobicContact CE2-CD1 4.42Å; F786-Y791 AromaticContact CE2-CD2 3.83Å; F786-Y791 HydrophobicContact CE2-CD2 3.83Å; F786-Y791 HydrophobicContact CE2-CE2 4.49Å; F786-Y791 AromaticContact CE2-CG 3.8Å; F786-Y791 HydrophobicContact CE2-CG 3.8Å; F786-Y791 HydrophobicContact CZ-CD1 4.33Å; F786-Y791 HydrophobicContact CZ-CD2 4.47Å; F786-Y791 AromaticContact CZ-CG 3.97Å; F786-Y791 HydrophobicContact CZ-CG 3.97Å; D787-Y791 WeakPolarHBondContact O-CB 3.37Å; D787-Y791 PolarHBondContact O-N 3.18Å; D787-Y791 VanDerWaalsContact O-N 3.09Å; L788-Y791 CarbonylContact O-C 3.6Å; L788-Y791 WeakPolarHBondContact O-CB 2.96Å; L788-Y791 PolarHBondContact O-N 2.83Å; L788-Y791 VanDerWaalsContact O-N 3.11Å; S789-Y791 VanDerWaalsContact C-N 3.26Å; S789-Y791 PolarHBondContact O-N 3.46Å; Y791-W794 HydrophobicContact CE2-CE3 4.19Å; Y791-W794 HydrophobicContact CE2-CZ3 4.17Å; Y791-W794 PolarHBondContact O-N 2.85Å; Y791-L795 HydrophobicContact CD1-CD1 3.93Å; Y791-L795 HydrophobicContact CD1-CG 4.15Å; Y791-L795 HydrophobicContact CE1-CD1 3.65Å; Y791-L795 HydrophobicContact CE1-CD2 4.23Å; Y791-L795 HydrophobicContact CE1-CG 3.84Å; Y791-L795 PolarHBondContact O-N 3.37Å; Y791-P856 HydrophobicContact CE1-CG 3.99Å; Y791-P856 HydrophobicContact CE2-CB 3.77Å; Y791-P856 HydrophobicContact CE2-CG 3.99Å; Y791-L888 HydrophobicContact CD1-CD1 4.26Å; Y791-L888 HydrophobicContact CD1-CD2 4.24Å; Y791-L888 HydrophobicContact CE1-CD1 3.65Å; Y791-L888 HydrophobicContact CE1-CD2 4.35Å
792E76.2Confident74.9Confident18 Ų1837 Ų378%0.08420%0.203CC..Hα-helixtrans-58.5-50.7171.7-75.7170.1179.100111.5L788 S789 W794 L795 Q796 F892L788-E792 HydrophobicContact CG-CG 4.4Å; L788-E792 WeakPolarHBondContact CG-OE1 3.35Å; L788-E792 WeakPolarHBondContact O-CG 3.38Å; L788-E792 PolarHBondContact O-N 2.76Å; S789-E792 PolarHBondContact O-N 3.35Å; E792-W794 VanDerWaalsContact C-N 3.3Å; E792-W794 PolarHBondContact O-N 3.39Å; E792-L795 PolarHBondContact O-N 2.96Å; E792-Q796 WeakPolarHBondContact O-CG 3.42Å; E792-Q796 PolarHBondContact O-N 3.07Å; E792-Q796 VanDerWaalsContact O-N 3.11Å; E792-F892 HydrophobicContact CG-CE1 3.76Å; E792-F892 HydrophobicContact CG-CZ 4.49Å; E792-F892 VanDerWaalsContact OE1-CD1 3.23Å; E792-F892 WeakPolarHBondContact OE1-CD1 3.36Å; E792-F892 WeakPolarHBondContact OE1-CE1 3.34Å
793N76.9Confident72.4Confident75 Ų7540.4 Ų40.440%0.40123%0.226SC..Hα-helixtrans-59.1-40.7179.5-66.7-25000111.9S789 Q796 Q797S789-N793 PolarHBondContact O-N 3.44Å; S789-N793 PolarHBondContact O-ND2 3.3Å; S789-N793 VanDerWaalsContact O-ND2 3.13Å; N793-Q796 PolarHBondContact O-N 3.4Å; N793-Q797 WeakPolarHBondContact O-CG 3.26Å; N793-Q797 PolarHBondContact O-N 3.01Å
794W77.8Confident69.8Low63 Ų6343.5 Ų43.524%0.23925%0.248CC..Hα-helixtrans-66.5-42.4176174.277.2000112.9F748 S790 Y791 E792 Q796 Q797 H798F748-W794 HydrophobicContact CD1-CB 3.86Å; F748-W794 AromaticContact CD1-CD1 3.49Å; F748-W794 VanDerWaalsContact CD1-CD1 3.49Å; F748-W794 HydrophobicContact CD1-CD2 4.25Å; F748-W794 AromaticContact CD1-CG 3.57Å; F748-W794 HydrophobicContact CD1-CG 3.57Å; F748-W794 HydrophobicContact CD2-CB 4.22Å; F748-W794 HydrophobicContact CE1-CB 3.61Å; F748-W794 AromaticContact CE1-CD1 3.42Å; F748-W794 VanDerWaalsContact CE1-CD1 3.42Å; F748-W794 AromaticContact CE1-CD2 3.37Å; F748-W794 HydrophobicContact CE1-CD2 3.37Å; F748-W794 AromaticContact CE1-CE2 3.76Å; F748-W794 HydrophobicContact CE1-CE3 4.04Å; F748-W794 AromaticContact CE1-CG 3.14Å; F748-W794 HydrophobicContact CE1-CG 3.14Å; F748-W794 AromaticContact CE1-NE1 3.74Å; F748-W794 HydrophobicContact CE2-CB 3.96Å; F748-W794 HydrophobicContact CE2-CG 4.36Å; F748-W794 HydrophobicContact CG-CB 4.19Å; F748-W794 HydrophobicContact CG-CG 4.38Å; F748-W794 HydrophobicContact CZ-CB 3.65Å; F748-W794 AromaticContact CZ-CD2 3.71Å; F748-W794 HydrophobicContact CZ-CD2 3.71Å; F748-W794 AromaticContact CZ-CE3 3.94Å; F748-W794 HydrophobicContact CZ-CE3 3.94Å; F748-W794 AromaticContact CZ-CG 3.59Å; F748-W794 HydrophobicContact CZ-CG 3.59Å; S790-W794 PolarHBondContact O-N 2.91Å; Y791-W794 HydrophobicContact CE2-CE3 4.19Å; Y791-W794 HydrophobicContact CE2-CZ3 4.17Å; Y791-W794 PolarHBondContact O-N 2.85Å; E792-W794 VanDerWaalsContact C-N 3.3Å; E792-W794 PolarHBondContact O-N 3.39Å; W794-Q796 VanDerWaalsContact C-N 3.29Å; W794-Q796 PolarHBondContact O-N 3.28Å; W794-Q797 PolarHBondContact O-N 2.88Å; W794-H798 AromaticContact CD1-CE1 3.78Å; W794-H798 AromaticContact CD1-ND1 3.95Å; W794-H798 AromaticContact CD1-NE2 3.98Å; W794-H798 AromaticContact CE2-CD2 3.42Å; W794-H798 VanDerWaalsContact CE2-CD2 3.42Å; W794-H798 AromaticContact CE2-CG 3.84Å; W794-H798 AromaticContact CE2-NE2 3.62Å; W794-H798 AromaticContact CZ2-CD2 3.34Å; W794-H798 WeakPolarHBondContact CZ2-CD2 3.18Å; W794-H798 AromaticContact CZ2-NE2 3.81Å; W794-H798 AromaticContact NE1-CD2 3.28Å; W794-H798 PolarHBondContact NE1-CD2 3.02Å; W794-H798 VanDerWaalsContact NE1-CD2 3.28Å; W794-H798 AromaticContact NE1-CE1 3.23Å; W794-H798 PolarHBondContact NE1-CE1 3.44Å; W794-H798 AromaticContact NE1-CG 3.65Å; W794-H798 AromaticContact NE1-ND1 3.6Å; W794-H798 AromaticContact NE1-NE2 2.99Å; W794-H798 PolarHBondContact NE1-NE2 3.39Å; W794-H798 PolarHBondContact O-N 3.17Å
795L73.3Confident67.1Low22 Ų2245.6 Ų45.612%0.11527%0.267CS..Hα-helixtrans-57.9-41.9175.9-79.6177.9000111.7Y791 E792 H798 S799Y791-L795 HydrophobicContact CD1-CD1 3.93Å; Y791-L795 HydrophobicContact CD1-CG 4.15Å; Y791-L795 HydrophobicContact CE1-CD1 3.65Å; Y791-L795 HydrophobicContact CE1-CD2 4.23Å; Y791-L795 HydrophobicContact CE1-CG 3.84Å; Y791-L795 PolarHBondContact O-N 3.37Å; E792-L795 PolarHBondContact O-N 2.96Å; L795-H798 PolarHBondContact O-N 3.14Å; L795-S799 VanDerWaalsContact O-CB 3.29Å; L795-S799 WeakPolarHBondContact O-CB 3.42Å; L795-S799 PolarHBondContact O-N 2.94Å; L795-S799 PolarHBondContact O-OG 2.16Å
796Q71.2Confident64.4Low90 Ų9049.4 Ų49.442%0.42129%0.293SS..Hα-helixtrans-65.6-37.6177.6-65.6171.113.400112.6E792 N793 W794 S799 S800E792-Q796 WeakPolarHBondContact O-CG 3.42Å; E792-Q796 PolarHBondContact O-N 3.07Å; E792-Q796 VanDerWaalsContact O-N 3.11Å; N793-Q796 PolarHBondContact O-N 3.4Å; W794-Q796 VanDerWaalsContact C-N 3.29Å; W794-Q796 PolarHBondContact O-N 3.28Å; Q796-S799 PolarHBondContact O-OG 3.23Å; Q796-S800 PolarHBondContact O-N 3.01Å; Q796-S800 PolarHBondContact O-OG 2.83Å
797Q67.7Low61.7Low119 Ų11952.9 Ų52.956%0.55632%0.318SS*.Hα-helixtrans-67.9-42.1176-71.21723.400112.1N793 W794 S800 S801N793-Q797 WeakPolarHBondContact O-CG 3.26Å; N793-Q797 PolarHBondContact O-N 3.01Å; W794-Q797 PolarHBondContact O-N 2.88Å; Q797-S800 PolarHBondContact O-OG 3.31Å; Q797-S801 PolarHBondContact O-N 2.84Å; Q797-S801 PolarHBondContact O-OG 2.86Å
798H62.8Low59.2Low82 Ų8255.3 Ų55.338%0.3834%0.336SS..Hα-helixtrans-81.3-20.4-178.9-76.225.9000113.8W794 L795 S801 S802W794-H798 AromaticContact CD1-CE1 3.78Å; W794-H798 AromaticContact CD1-ND1 3.95Å; W794-H798 AromaticContact CD1-NE2 3.98Å; W794-H798 AromaticContact CE2-CD2 3.42Å; W794-H798 VanDerWaalsContact CE2-CD2 3.42Å; W794-H798 AromaticContact CE2-CG 3.84Å; W794-H798 AromaticContact CE2-NE2 3.62Å; W794-H798 AromaticContact CZ2-CD2 3.34Å; W794-H798 WeakPolarHBondContact CZ2-CD2 3.18Å; W794-H798 AromaticContact CZ2-NE2 3.81Å; W794-H798 AromaticContact NE1-CD2 3.28Å; W794-H798 PolarHBondContact NE1-CD2 3.02Å; W794-H798 VanDerWaalsContact NE1-CD2 3.28Å; W794-H798 AromaticContact NE1-CE1 3.23Å; W794-H798 PolarHBondContact NE1-CE1 3.44Å; W794-H798 AromaticContact NE1-CG 3.65Å; W794-H798 AromaticContact NE1-ND1 3.6Å; W794-H798 AromaticContact NE1-NE2 2.99Å; W794-H798 PolarHBondContact NE1-NE2 3.39Å; W794-H798 PolarHBondContact O-N 3.17Å; L795-H798 PolarHBondContact O-N 3.14Å; H798-S801 WeakPolarHBondContact CA-OG 3.49Å; H798-S801 PolarHBondContact O-OG 3.32Å; H798-S801 VanDerWaalsContact O-OG 3.08Å; H798-S802 PolarHBondContact O-N 2.95Å; H798-S802 PolarHBondContact O-OG 3.31Å
799S53.8Low56.8Low12 Ų1258.3 Ų58.38%0.08436%0.357CS..Hα-helixtrans-78.4-27.7173.270.10000113.1L795 Q796 S802 S803 W846L795-S799 VanDerWaalsContact O-CB 3.29Å; L795-S799 WeakPolarHBondContact O-CB 3.42Å; L795-S799 PolarHBondContact O-N 2.94Å; L795-S799 PolarHBondContact O-OG 2.16Å; Q796-S799 PolarHBondContact O-OG 3.23Å; S799-S802 WeakPolarHBondContact CA-OG 3.43Å; S799-S802 PolarHBondContact O-OG 3.35Å; S799-S803 PolarHBondContact O-N 3.29Å; S799-S803 PolarHBondContact O-OG 3.32Å; S799-W846 VanDerWaalsContact CB-CZ2 3.44Å; S799-W846 WeakPolarHBondContact OG-CH2 3.3Å; S799-W846 WeakPolarHBondContact OG-CZ2 3.34Å
800S47.8Very low54.4Low66 Ų6665.6 Ų65.646%0.46238%0.379SS..Hα-helixtrans-80.1-28.7174.7470000113.4Q796 Q797 S803 S804Q796-S800 PolarHBondContact O-N 3.01Å; Q796-S800 PolarHBondContact O-OG 2.83Å; Q797-S800 PolarHBondContact O-OG 3.31Å; S800-S803 PolarHBondContact O-OG 2.94Å; S800-S803 VanDerWaalsContact O-OG 3.13Å; S800-S804 PolarHBondContact O-OG 3.38Å
801S45.9Very low52Low65 Ų6574.2 Ų74.246%0.45541%0.407SS..Hα-helixtrans-74.5-25.3169.860.20000113.6Q797 H798 S804 A805Q797-S801 PolarHBondContact O-N 2.84Å; Q797-S801 PolarHBondContact O-OG 2.86Å; H798-S801 WeakPolarHBondContact CA-OG 3.49Å; H798-S801 PolarHBondContact O-OG 3.32Å; H798-S801 VanDerWaalsContact O-OG 3.08Å; S801-S804 WeakPolarHBondContact CA-OG 3.44Å; S801-S804 PolarHBondContact O-OG 3.3Å; S801-A805 WeakPolarHBondContact O-CB 3.34Å; S801-A805 PolarHBondContact O-N 3.33Å
802S43Very low49.5Very low47 Ų4781.8 Ų81.833%0.32944%0.443SS..Hα-helixtrans-85.4-28.317943.50000113.8H798 S799 S806H798-S802 PolarHBondContact O-N 2.95Å; H798-S802 PolarHBondContact O-OG 3.31Å; S799-S802 WeakPolarHBondContact CA-OG 3.43Å; S799-S802 PolarHBondContact O-OG 3.35Å; S802-S806 WeakPolarHBondContact O-CB 3.29Å; S802-S806 PolarHBondContact O-N 3.03Å; S802-S806 PolarHBondContact O-OG 3.37Å
803S40.5Very low47.3Very low71 Ų7191.5 Ų91.550%0.49748%0.48SS..Hα-helixtrans-69.7-32.8169.858.40000112.8S799 S800 S807S799-S803 PolarHBondContact O-N 3.29Å; S799-S803 PolarHBondContact O-OG 3.32Å; S800-S803 PolarHBondContact O-OG 2.94Å; S800-S803 VanDerWaalsContact O-OG 3.13Å; S803-S807 PolarHBondContact O-N 3.39Å; S803-S807 PolarHBondContact O-OG 2.7Å
804S38.1Very low45Very low65 Ų6592.6 Ų92.646%0.45549%0.494SS..Hα-helixtrans-70.9-42171.239.70000112.4S800 S801 S806 S807 S808S800-S804 PolarHBondContact O-OG 3.38Å; S801-S804 WeakPolarHBondContact CA-OG 3.44Å; S801-S804 PolarHBondContact O-OG 3.3Å; S804-S806 VanDerWaalsContact C-N 3.3Å; S804-S806 PolarHBondContact O-N 3.24Å; S804-S807 WeakPolarHBondContact CA-OG 3.39Å; S804-S807 PolarHBondContact O-N 3.49Å; S804-S807 PolarHBondContact O-OG 2.94Å; S804-S807 VanDerWaalsContact O-OG 3.06Å; S804-S808 PolarHBondContact O-N 3.38Å
805A35.6Very low42.6Very low50 Ų5092.7 Ų92.741%0.41351%0.514SS..Hα-helixtrans-64.5-30.7171.900000113.8S801 S808 S809S801-A805 WeakPolarHBondContact O-CB 3.34Å; S801-A805 PolarHBondContact O-N 3.33Å; A805-S808 WeakPolarHBondContact CA-OG 3.36Å; A805-S808 PolarHBondContact O-OG 2.86Å; A805-S809 PolarHBondContact O-N 3.12Å; A805-S809 PolarHBondContact O-OG 3.15Å
806S36Very low40.5Very low80 Ų8099 Ų9956%0.55955%0.548SS*.Hα-helixtrans-67.4-41.3174.3-600000111.7S802 S804 S809 Y810S802-S806 WeakPolarHBondContact O-CB 3.29Å; S802-S806 PolarHBondContact O-N 3.03Å; S802-S806 PolarHBondContact O-OG 3.37Å; S804-S806 VanDerWaalsContact C-N 3.3Å; S804-S806 PolarHBondContact O-N 3.24Å; S806-S809 PolarHBondContact O-N 3.41Å; S806-Y810 PolarHBondContact O-N 3.4Å
807S33.8Very low38.5Very low74 Ų74102.7 Ų102.752%0.51757%0.571SS.*Hα-helixtrans-77.9-23.7-179.644.90000113.9S803 S804S803-S807 PolarHBondContact O-N 3.39Å; S803-S807 PolarHBondContact O-OG 2.7Å; S804-S807 WeakPolarHBondContact CA-OG 3.39Å; S804-S807 PolarHBondContact O-N 3.49Å; S804-S807 PolarHBondContact O-OG 2.94Å; S804-S807 VanDerWaalsContact O-OG 3.06Å
808S34.3Very low36.6Very low71 Ų71105.3 Ų105.350%0.49758%0.582SS.*Hα-helixtrans-70.3-38.9165.160.30000112.2S804 A805 Y810 R811S804-S808 PolarHBondContact O-N 3.38Å; A805-S808 WeakPolarHBondContact CA-OG 3.36Å; A805-S808 PolarHBondContact O-OG 2.86Å; S808-Y810 VanDerWaalsContact C-N 3.34Å; S808-Y810 PolarHBondContact O-N 3.03Å; S808-R811 PolarHBondContact O-N 3.34Å; S808-R811 VanDerWaalsContact O-N 3.14Å
809S32.7Very low35Very low64 Ų64109 Ų10945%0.44861%0.605SS.*Hα-helixtrans-64.3-36.4-178.8-58.30000112.6A805 S806 R811 Q812A805-S809 PolarHBondContact O-N 3.12Å; A805-S809 PolarHBondContact O-OG 3.15Å; S806-S809 PolarHBondContact O-N 3.41Å; S809-R811 VanDerWaalsContact C-N 3.25Å; S809-R811 PolarHBondContact O-N 3.45Å; S809-Q812 PolarHBondContact O-N 3.49Å
810Y30.9Very low33.7Very low196 Ų196111.8 Ų111.877%0.76964%0.635SS**G310 helixtrans-69.3-20.1176.9-151.7-91.9000113.5S806 S808S806-Y810 PolarHBondContact O-N 3.4Å; S808-Y810 VanDerWaalsContact C-N 3.34Å; S808-Y810 PolarHBondContact O-N 3.03Å
811R30.5Very low32.8Very low215 Ų215116.4 Ų116.481%0.81166%0.655SS**G310 helixtrans-77.4-15.9176.7-74.6-171.6173-164.1-2114.1S808 S809 Y813S808-R811 PolarHBondContact O-N 3.34Å; S808-R811 VanDerWaalsContact O-N 3.14Å; S809-R811 VanDerWaalsContact C-N 3.25Å; S809-R811 PolarHBondContact O-N 3.45Å; R811-Y813 VanDerWaalsContact C-N 3.34Å
812Q30.8Very low31.9Very low173 Ų173120.9 Ų120.981%0.80867%0.674SS**G310 helixtrans-82.5-7.5177.1-75.8-174.9-54.300114.4S809S809-Q812 PolarHBondContact O-N 3.49Å
813Y30.1Very low31.4Very low222 Ų222124.3 Ų124.387%0.87170%0.698SS**G310 helixtrans-114.413175.4-82.7-80.2000114.2R811R811-Y813 VanDerWaalsContact C-N 3.34Å
814S28.8Very low30.7Very low98 Ų98128.6 Ų128.669%0.68572%0.715SS**  trans-106.851.7175.2-1700000111.9
815G26.8Very low30.3Very low65 Ų65133.9 Ų133.967%0.6774%0.737SS**  trans-91.9132.9162.200000109.8
816N29.3Very low29.8Very low154 Ų154137 Ų13782%0.82476%0.756SS**  trans61.895.1-178.5-58.6-9.5000116
817N29Very low29.4Very low167 Ų167137 Ų13789%0.89377%0.769SS**  -161.7154.9106.9-94.6-26.1000111.6
818H28.1Very low29Very low174 Ų174140.2 Ų140.281%0.80678%0.78SS**  trans-101157.1-177.1-86.8-66.9000112.7
819N28.8Very low28.8Very low160 Ų160142.1 Ų142.186%0.85679%0.794SS**  trans71.4140.6163.1-52.4-19000116.9
820G27.9Very low28.5Very low70 Ų70145.9 Ų145.972%0.72281%0.809SS**  trans161.321.7178.900000120.2
821D27.8Very low28.5Very low164 Ų164144.5 Ų144.588%0.87782%0.815SS**  trans55.1162.7158.1-62.1-29000123.2
822N27.8Very low28.3Very low158 Ų158138.7 Ų138.785%0.84581%0.807SS**  trans-81.7152.8-175.5-61.3-71000113.5
823S31Very low28.2Very low120 Ų120137.4 Ų137.484%0.83981%0.806SS**  -161.9146.2124.238.40000112.3
824N26.6Very low28.1Very low161 Ų161135.1 Ų135.186%0.86181%0.808SS**  trans-85.7147.5177.1-62-62.1000110.8
825L29.7Very low28.2Very low175 Ų175137.4 Ų137.492%0.91681%0.812SS**  trans-154104.7149.1-117158.8000111.8
826S24.9Very low28.9Very low116 Ų116139.4 Ų139.481%0.81181%0.807SS**  trans-79.8114.4173.152.10000110.6
827G28.9Very low29.3Very low79 Ų79139 Ų13981%0.81480%0.798SS**  trans-108.499.1173.700000111.2
828N24.7Very low30Very low143 Ų143135.9 Ų135.977%0.76578%0.781SS**  trans-95.4120.8179.9-174.914.2000110.7
829S30.6Very low30.7Very low111 Ų111134.6 Ų134.678%0.77678%0.775SS**  trans-145.191.9171.963.60000112N831S829-N831 PolarHBondContact O-N 3.2Å
830N26.1Very low31.3Very low143 Ų143128.6 Ų128.677%0.76574%0.743SS**  trans-63.6130.6162-65.8-47.5000108.8
831N30.3Very low32.1Very low167 Ų167131.1 Ų131.189%0.89374%0.736SS**  trans-146.9105.3157.2-120-12.2000109.8S829S829-N831 PolarHBondContact O-N 3.2Å
832S27.5Very low32.9Very low93 Ų93129 Ų12965%0.6572%0.719SS**  trans-78165.8173.948.30000111.2
833N27.5Very low33.6Very low146 Ų146122.9 Ų122.978%0.78169%0.688SS**  trans69.972164.1-50.1-21.7000116.6
834N28.3Very low34.3Very low173 Ų173119.4 Ų119.493%0.92566%0.658SS**  trans-138.2142.3141.7-108.6-36.5000109.3
835I31.3Very low35Very low147 Ų147116.5 Ų116.575%0.75464%0.642SS**  trans-105.2118.3-156.9-62.7170.6000112.3F837I835-F837 PolarHBondContact O-N 3.08Å
836D40.5Very low35.6Very low107 Ų107113.3 Ų113.357%0.57262%0.618SS**SBendtrans52-13153.3-148.338.1000121
837F38.5Very low36.4Very low145 Ų145108.8 Ų108.864%0.63659%0.587SS**Hα-helixtrans-85.4-31.2-176.8-89.7-89.9000114.6I835 H841 I896I835-F837 PolarHBondContact O-N 3.08Å; F837-H841 PolarHBondContact O-N 2.77Å; F837-I896 HydrophobicContact CE1-CG2 3.94Å
838D43.3Very low37Very low101 Ų101110.9 Ų110.954%0.5457%0.574SS.*Hα-helixtrans-77.8-25.2-167.5-164.640.6000112.9K842D838-K842 WeakPolarHBondContact O-CB 3.46Å; D838-K842 WeakPolarHBondContact O-CD 3.45Å; D838-K842 VanDerWaalsContact O-CG 3.23Å; D838-K842 WeakPolarHBondContact O-CG 3.32Å; D838-K842 PolarHBondContact O-N 3.37Å; D838-K842 VanDerWaalsContact O-N 3.09Å; D838-K842 WeakPolarHBondContact OD2-CE 3.14Å; D838-K842 IonicContact OD2-NZ 3.98Å; D838-K842 PolarHBondContact OD2-NZ 3.32Å
839E43.5Very low37.8Very low147 Ų147109.9 Ų109.969%0.68757%0.569SS**Hα-helixtrans-78.1-38.4-179.4-168.3159.2-156.100112.8H841 K842 T843E839-H841 VanDerWaalsContact C-N 3.34Å; E839-K842 PolarHBondContact O-N 3.47Å; E839-T843 PolarHBondContact O-N 3.39Å; E839-T843 PolarHBondContact O-OG1 3.17Å; E839-T843 VanDerWaalsContact O-OG1 3.1Å
840L40.4Very low38.2Very low35 Ų35108.6 Ų108.618%0.18355%0.553CS.*Hα-helixtrans-64.3-37.4170.5-93.8163.1000112T843 H844 I896L840-T843 WeakPolarHBondContact CA-OG1 3.23Å; L840-T843 PolarHBondContact O-OG1 2.6Å; L840-H844 PolarHBondContact O-N 2.95Å; L840-H844 VanDerWaalsContact O-N 3.14Å; L840-I896 HydrophobicContact CD1-CG1 4.48Å
841H45Very low38.9Very low122 Ų122109 Ų10957%0.56556%0.555SS**Hα-helixtrans-70.3-35.4176.5-126.3-62.4000112.6F837 E839 L845F837-H841 PolarHBondContact O-N 2.77Å; E839-H841 VanDerWaalsContact C-N 3.34Å; H841-L845 PolarHBondContact O-N 3.46Å; H841-L845 VanDerWaalsContact O-N 3.13Å
842K43.7Very low39.6Very low120 Ų120104.9 Ų104.952%0.52253%0.532SS..Hα-helixtrans-66.1-45.7173.6-77163.6-178.5166.60112.5D838 E839 H844 L845 W846D838-K842 WeakPolarHBondContact O-CB 3.46Å; D838-K842 WeakPolarHBondContact O-CD 3.45Å; D838-K842 VanDerWaalsContact O-CG 3.23Å; D838-K842 WeakPolarHBondContact O-CG 3.32Å; D838-K842 PolarHBondContact O-N 3.37Å; D838-K842 VanDerWaalsContact O-N 3.09Å; D838-K842 WeakPolarHBondContact OD2-CE 3.14Å; D838-K842 IonicContact OD2-NZ 3.98Å; D838-K842 PolarHBondContact OD2-NZ 3.32Å; E839-K842 PolarHBondContact O-N 3.47Å; K842-H844 VanDerWaalsContact C-N 3.35Å; K842-H844 PolarHBondContact O-N 3.02Å; K842-L845 PolarHBondContact O-N 2.82Å; K842-W846 VanDerWaalsContact O-CB 3.25Å; K842-W846 WeakPolarHBondContact O-CB 3.29Å; K842-W846 PolarHBondContact O-N 3.14Å
843T44.1Very low40.7Very low30 Ų30102.5 Ų102.518%0.18452%0.516CS..Hα-helixtrans-62.6-39.2176.748.10000112.3E839 L840 W846 A847E839-T843 PolarHBondContact O-N 3.39Å; E839-T843 PolarHBondContact O-OG1 3.17Å; E839-T843 VanDerWaalsContact O-OG1 3.1Å; L840-T843 WeakPolarHBondContact CA-OG1 3.23Å; L840-T843 PolarHBondContact O-OG1 2.6Å; T843-W846 HydrophobicContact CG2-CE3 4.4Å; T843-W846 PolarHBondContact O-N 3.48Å; T843-A847 WeakPolarHBondContact O-CB 3.5Å; T843-A847 PolarHBondContact O-N 3Å
844H44.9Very low42.3Very low46 Ų46100.8 Ų100.821%0.21350%0.501CS..Hα-helixtrans-66.7-36.7175.5-165.6-40.1000113.2L840 K842 F892L840-H844 PolarHBondContact O-N 2.95Å; L840-H844 VanDerWaalsContact O-N 3.14Å; K842-H844 VanDerWaalsContact C-N 3.35Å; K842-H844 PolarHBondContact O-N 3.02Å; H844-F892 AromaticContact CD2-CD2 3.32Å; H844-F892 WeakPolarHBondContact CD2-CD2 3.32Å; H844-F892 AromaticContact CD2-CG 3.62Å; H844-F892 AromaticContact NE2-CD2 3.46Å; H844-F892 WeakPolarHBondContact NE2-CD2 3.25Å
845L42.1Very low44.6Very low100 Ų10094.4 Ų94.452%0.52447%0.467SS..Hα-helixtrans-70.9-43.4174.4-83.1161.7000111.9H841 K842 K848 N849H841-L845 PolarHBondContact O-N 3.46Å; H841-L845 VanDerWaalsContact O-N 3.13Å; K842-L845 PolarHBondContact O-N 2.82Å; L845-K848 WeakPolarHBondContact O-CB 3.15Å; L845-K848 PolarHBondContact O-N 3.1Å; L845-N849 PolarHBondContact O-N 3.35Å; L845-N849 VanDerWaalsContact O-N 3.15Å
846W41.6Very low47.3Very low109 Ų10987.7 Ų87.741%0.41343%0.433SS..Hα-helixtrans-59.8-50.9176.7172.814.6000112.3S799 K842 T843 K848 N849 N850S799-W846 VanDerWaalsContact CB-CZ2 3.44Å; S799-W846 WeakPolarHBondContact OG-CH2 3.3Å; S799-W846 WeakPolarHBondContact OG-CZ2 3.34Å; K842-W846 VanDerWaalsContact O-CB 3.25Å; K842-W846 WeakPolarHBondContact O-CB 3.29Å; K842-W846 PolarHBondContact O-N 3.14Å; T843-W846 HydrophobicContact CG2-CE3 4.4Å; T843-W846 PolarHBondContact O-N 3.48Å; W846-K848 PolarHBondContact O-N 2.71Å; W846-K848 VanDerWaalsContact O-N 3.11Å; W846-N849 PolarHBondContact O-N 2.88Å; W846-N850 PolarHBondContact NE1-ND2 2.97Å; W846-N850 VanDerWaalsContact NE1-ND2 3.17Å; W846-N850 PolarHBondContact O-N 2.86Å
847A41.4Very low49.7Very low20 Ų2084.4 Ų84.417%0.16542%0.415CS..Hα-helixtrans-63.1-22.5-177.900000113.2T843T843-A847 WeakPolarHBondContact O-CB 3.5Å; T843-A847 PolarHBondContact O-N 3Å
848K41.9Very low52.3Low123 Ų12377.5 Ų77.554%0.53539%0.385SS..Hα-helixtrans-80-34.8173-167.5164.3-175.5152.70113L845 W846 E889L845-K848 WeakPolarHBondContact O-CB 3.15Å; L845-K848 PolarHBondContact O-N 3.1Å; W846-K848 PolarHBondContact O-N 2.71Å; W846-K848 VanDerWaalsContact O-N 3.11Å; K848-E889 IonicContact NZ-OE1 2.75Å; K848-E889 PolarHBondContact NZ-OE1 2.76Å
849N40.8Very low54.8Low123 Ų12373.1 Ų73.166%0.65836%0.361SS*.Hα-helixtrans-76.5-33.3178.5-70.5-8.1000113L845 W846 N851L845-N849 PolarHBondContact O-N 3.35Å; L845-N849 VanDerWaalsContact O-N 3.15Å; W846-N849 PolarHBondContact O-N 2.88Å; N849-N851 PolarHBondContact O-N 2.75Å
850N39.5Very low57.3Low84 Ų8466.1 Ų66.145%0.44933%0.328SS..THydrogen-bonded Turntrans-86.97.6-173.7-79.736000115.1W846 L852W846-N850 PolarHBondContact NE1-ND2 2.97Å; W846-N850 VanDerWaalsContact NE1-ND2 3.17Å; W846-N850 PolarHBondContact O-N 2.86Å; N850-L852 HydrophobicContact CB-CD1 4.48Å; N850-L852 WeakPolarHBondContact O-CD1 3.4Å; N850-L852 PolarHBondContact O-N 3.28Å
851N41.6Very low59.9Low150 Ų15064.4 Ų64.480%0.80232%0.319SS*.SBendtrans56.20.7-174.2-73.6-43.6000116.7N849 C853N849-N851 PolarHBondContact O-N 2.75Å; N851-C853 VanDerWaalsContact C-N 3.26Å; N851-C853 PolarHBondContact O-N 2.75Å
852L43.5Very low62.2Low81 Ų8158.6 Ų58.642%0.42429%0.292SS..  trans-66.8-22.5-178.2-103.267.9000113.7N850 K854N850-L852 HydrophobicContact CB-CD1 4.48Å; N850-L852 WeakPolarHBondContact O-CD1 3.4Å; N850-L852 PolarHBondContact O-N 3.28Å; L852-K854 PolarHBondContact O-N 3.14Å
853C50.7Low64.5Low44 Ų4453.3 Ų53.330%0.29727%0.272SS..  trans-74.656.4176.3-88.30000114.1N851 N855N851-C853 VanDerWaalsContact C-N 3.26Å; N851-C853 PolarHBondContact O-N 2.75Å; C853-N855 PolarHBondContact O-N 3.43Å
854K61.1Low66.9Low110 Ų11055.1 Ų55.148%0.47828%0.277SS..PPolyproline II helixtrans-62.9117.7149.9-86-166.6178.4-174.60107A765 E766 L852A765-K854 HydrophobicContact CB-CD 4.45Å; A765-K854 PolarHBondContact O-NZ 3.23Å; E766-K854 IonicContact OE1-NZ 2.6Å; E766-K854 PolarHBondContact OE1-NZ 3.14Å; L852-K854 PolarHBondContact O-N 3.14Å
855N76.6Confident69.3Low39 Ų3953.2 Ų53.221%0.20927%0.27CS..PPolyproline II helixtrans-52.7122.2178.6-91.1-15.6000111C853 I857 I886 L888C853-N855 PolarHBondContact O-N 3.43Å; N855-I857 WeakPolarHBondContact O-CG1 3.06Å; N855-I857 PolarHBondContact O-N 2.85Å; N855-I886 WeakPolarHBondContact CB-O 3.47Å; N855-I886 PolarHBondContact OD1-O 2.81Å; N855-L888 PolarHBondContact OD1-N 3.14Å
856P88.1Confident71.8Confident5 Ų549 Ų493%0.03225%0.248CC..PPolyproline II helixtrans-63.8134.5-17013.3-20.9000112.3P744 F786 Y791 I886 L888P744-P856 HydrophobicContact CG-CB 3.82Å; F786-P856 HydrophobicContact CE2-CB 4.21Å; F786-P856 HydrophobicContact CE2-CG 3.73Å; F786-P856 HydrophobicContact CZ-CG 4.24Å; Y791-P856 HydrophobicContact CE1-CG 3.99Å; Y791-P856 HydrophobicContact CE2-CB 3.77Å; Y791-P856 HydrophobicContact CE2-CG 3.99Å; P856-I886 HydrophobicContact CG-CB 4.15Å; P856-I886 PolarHBondContact O-N 3.39Å; P856-L888 HydrophobicContact CG-CD1 4.1Å; P856-L888 HydrophobicContact CG-CD2 3.9Å; P856-L888 HydrophobicContact CG-CG 4.05Å
857I90.8Very high74.1Confident38 Ų3844.3 Ų44.320%0.19523%0.232CC..EExtended strand (participates in β ladder)trans-106.7121.2-175.5-47.3175.5000110.1P744 R772 N855 E883 V884 W885P744-I857 WeakPolarHBondContact CD-O 2.51Å; R772-I857 PolarHBondContact NH2-O 2.97Å; N855-I857 WeakPolarHBondContact O-CG1 3.06Å; N855-I857 PolarHBondContact O-N 2.85Å; I857-E883 HydrophobicContact CG2-CB 3.97Å; I857-E883 HydrophobicContact CG2-CG 4.43Å; I857-V884 WeakPolarHBondContact CA-O 3.25Å; I857-W885 HydrophobicContact CD1-CD2 3.84Å; I857-W885 HydrophobicContact CD1-CE3 3.93Å; I857-W885 HydrophobicContact CD1-CH2 3.68Å; I857-W885 HydrophobicContact CD1-CZ2 3.56Å; I857-W885 HydrophobicContact CD1-CZ3 3.86Å; I857-W885 HydrophobicContact CG1-CD2 3.79Å; I857-W885 HydrophobicContact CG1-CE3 3.96Å; I857-W885 HydrophobicContact CG1-CG 4.14Å; I857-W885 HydrophobicContact CG1-CZ2 4.43Å; I857-W885 HydrophobicContact CG1-CZ3 4.36Å
858I93.9Very high76.4Confident0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-92.4121.4167.6-46.5170.3000107.5V741 V785 F786 I860 V884 I886V741-I858 HydrophobicContact CG1-CG2 3.78Å; V785-I858 HydrophobicContact CB-CD1 4.2Å; V785-I858 HydrophobicContact CB-CG2 4.27Å; V785-I858 HydrophobicContact CG2-CD1 3.89Å; F786-I858 HydrophobicContact CB-CD1 4.11Å; I858-I860 HydrophobicContact CG2-CG1 4.24Å; I858-V884 HydrophobicContact CB-CB 4.26Å; I858-V884 PolarHBondContact N-O 3.13Å; I858-V884 PolarHBondContact O-N 3.33Å; I858-I886 HydrophobicContact CD1-CD1 4.11Å; I858-I886 HydrophobicContact CD1-CG1 4.12Å; I858-I886 HydrophobicContact CG1-CG1 4.43Å
859H95Very high78.6Confident9 Ų949.5 Ų49.54%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-96.4132.1176.5-63-89.4000109.6V741 S742 L769 W866 V875V741-H859 CarbonylContact C-O 3.51Å; V741-H859 WeakPolarHBondContact CA-O 3.33Å; S742-H859 PolarHBondContact N-O 3.47Å; S742-H859 PolarHBondContact O-N 3.38Å; L769-H859 WeakPolarHBondContact CD2-NE2 3.42Å; H859-W866 HydrophobicContact CB-CH2 4.32Å; H859-W866 HydrophobicContact CB-CZ2 4.28Å; H859-V875 HydrophobicContact CB-CG1 4.5Å; H859-V875 HydrophobicContact CB-CG2 4.25Å
860I96Very high81Confident0 Ų047.7 Ų47.70%026%0.264CS..EExtended strand (participates in β ladder)trans-132.1125.3-177.2-56.9165.7000108.4I716 L728 I739 F740 V741 I858 R881 L882 V884I716-I860 HydrophobicContact CD1-CD1 4.3Å; I716-I860 HydrophobicContact CD1-CG2 4.03Å; L728-I860 HydrophobicContact CD1-CD1 3.63Å; L728-I860 HydrophobicContact CD1-CG1 4.07Å; L728-I860 HydrophobicContact CD1-CG2 4.34Å; I739-I860 HydrophobicContact CG2-CG2 3.43Å; I739-I860 VanDerWaalsContact CG2-CG2 3.43Å; F740-I860 CarbonylContact O-C 3.59Å; F740-I860 WeakPolarHBondContact O-CA 3.5Å; V741-I860 HydrophobicContact CG1-CG1 4.29Å; V741-I860 HydrophobicContact CG2-CG1 4.46Å; I858-I860 HydrophobicContact CG2-CG1 4.24Å; I860-R881 CarbonylContact O-C 3.58Å; I860-R881 VanDerWaalsContact O-CA 3.25Å; I860-R881 WeakPolarHBondContact O-CA 3.38Å; I860-L882 HydrophobicContact CB-CB 4.24Å; I860-L882 PolarHBondContact N-O 3.23Å; I860-L882 PolarHBondContact O-N 2.97Å; I860-V884 HydrophobicContact CD1-CG2 3.75Å
861S95.7Very high83.5Confident0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-110.6140170.9-173.50000112.2F740 K864 C878 A880F740-S861 PolarHBondContact N-O 3.41Å; F740-S861 PolarHBondContact O-N 3.45Å; S861-K864 WeakPolarHBondContact CB-O 3.4Å; S861-K864 PolarHBondContact OG-O 3.27Å; S861-K864 VanDerWaalsContact OG-O 3.04Å; S861-C878 WeakPolarHBondContact OG-CB 3.46Å; S861-C878 PolarHBondContact OG-SG 2.93Å; S861-C878 VanDerWaalsContact OG-SG 3.38Å; S861-A880 PolarHBondContact OG-O 3.13Å
862L94Very high85.9Confident0 Ų052.5 Ų52.50%027%0.265CS..EExtended strand (participates in β ladder)trans-87.2113.8177.6-51.2-175.9000109.5L617 Q707 L711 I739 K864 A880 L882L617-L862 HydrophobicContact CD1-CD1 4.14Å; Q707-L862 HydrophobicContact CB-CB 3.88Å; Q707-L862 WeakPolarHBondContact CB-O 3.38Å; Q707-L862 VanDerWaalsContact CG-O 3.3Å; Q707-L862 WeakPolarHBondContact CG-O 3.35Å; L711-L862 HydrophobicContact CD1-CD2 4.45Å; L711-L862 HydrophobicContact CD2-CD1 4.1Å; L711-L862 HydrophobicContact CD2-CD2 4.47Å; I739-L862 HydrophobicContact CD1-CD2 3.57Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 3.05Å; L862-K864 VanDerWaalsContact O-N 3.09Å; L862-A880 HydrophobicContact CB-CB 4.28Å; L862-A880 HydrophobicContact CD1-CB 4.14Å; L862-A880 HydrophobicContact CG-CB 4.39Å; L862-A880 PolarHBondContact N-O 2.76Å; L862-A880 VanDerWaalsContact N-O 3.09Å; L862-L882 HydrophobicContact CD2-CD1 4.39Å
863G92Very high88.1Confident9 Ų952.6 Ų52.69%0.09327%0.271CS..SBendtrans74.7-8.1165.800000118.5L737 P738L737-G863 VanDerWaalsContact CD1-CA 3.42Å; P738-G863 VanDerWaalsContact O-CA 3.24Å; P738-G863 WeakPolarHBondContact O-CA 3.41Å; P738-G863 PolarHBondContact O-N 2.98Å
864K94.5Very high90Very high67 Ų6753.2 Ų53.229%0.29127%0.271SS..  trans-138.1133.2176-63.8-70.5-174.9172.10110.6D377 F740 S861 L862 P879D377-K864 IonicContact OD2-NZ 3.1Å; F740-K864 WeakPolarHBondContact CD2-O 3.45Å; F740-K864 VanDerWaalsContact CE2-C 3.48Å; S861-K864 WeakPolarHBondContact CB-O 3.4Å; S861-K864 PolarHBondContact OG-O 3.27Å; S861-K864 VanDerWaalsContact OG-O 3.04Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 3.05Å; L862-K864 VanDerWaalsContact O-N 3.09Å; K864-P879 HydrophobicContact CG-CG 4.26Å
865G93.8Very high91.4Very high7 Ų748.6 Ų48.67%0.07225%0.252CS..  trans-85.6172.4176.300000113.7F740F740-G865 VanDerWaalsContact CD1-CA 3.48Å; F740-G865 VanDerWaalsContact CG-CA 3.48Å
866W94.6Very high92.1Very high12 Ų1249.2 Ų49.25%0.04526%0.257CS..  trans-146.6170.7176.475.691.9000110.6F740 V774 H859 Y870 R872 D874 V875F740-W866 HydrophobicContact CB-CE3 4.22Å; F740-W866 HydrophobicContact CB-CZ3 3.76Å; F740-W866 WeakPolarHBondContact O-CZ3 3.09Å; V774-W866 HydrophobicContact CG1-CD2 3.96Å; V774-W866 HydrophobicContact CG1-CE3 3.85Å; V774-W866 HydrophobicContact CG1-CH2 3.93Å; V774-W866 HydrophobicContact CG1-CZ2 4.03Å; V774-W866 HydrophobicContact CG1-CZ3 3.83Å; V774-W866 HydrophobicContact CG2-CD2 3.97Å; V774-W866 VanDerWaalsContact CG2-CE2 3.45Å; V774-W866 HydrophobicContact CG2-CG 4.27Å; V774-W866 HydrophobicContact CG2-CZ2 3.81Å; V774-W866 WeakPolarHBondContact CG2-O 3.26Å; H859-W866 HydrophobicContact CB-CH2 4.32Å; H859-W866 HydrophobicContact CB-CZ2 4.28Å; W866-Y870 WeakPolarHBondContact O-CD2 3.21Å; W866-R872 CarbonylContact C-O 3.59Å; W866-R872 WeakPolarHBondContact CA-O 3.14Å; W866-R872 HydrophobicContact CB-CB 3.97Å; W866-R872 WeakPolarHBondContact CB-O 3.27Å; W866-D874 WeakPolarHBondContact CB-O 3.48Å; W866-V875 HydrophobicContact CD2-CB 3.78Å; W866-V875 HydrophobicContact CD2-CG2 3.87Å; W866-V875 HydrophobicContact CE3-CB 4.27Å; W866-V875 HydrophobicContact CE3-CG2 3.83Å; W866-V875 HydrophobicContact CG-CB 4.14Å; W866-V875 HydrophobicContact CH2-CB 4.4Å; W866-V875 HydrophobicContact CH2-CG2 3.77Å; W866-V875 HydrophobicContact CZ2-CB 3.91Å; W866-V875 HydrophobicContact CZ2-CG2 3.79Å; W866-V875 HydrophobicContact CZ3-CG2 3.79Å
867G91.5Very high92.2Very high9 Ų952.7 Ų52.79%0.09327%0.273CS..SBendtrans97.7179.6-173.600000112.4S869 Y870 R872 P873G867-S869 PolarHBondContact O-N 3.02Å; G867-Y870 PolarHBondContact O-N 3.17Å; G867-R872 PolarHBondContact N-O 2.88Å; G867-P873 WeakPolarHBondContact CA-O 3.14Å; G867-P873 PolarHBondContact N-O 3.05Å
868P88.1Confident92.3Very high140 Ų14050.9 Ų50.991%0.90926%0.264SS*.THydrogen-bonded Turntrans-55.1-30.5-167.3-29.936.4000116Y870P868-Y870 PolarHBondContact O-N 3.32Å
869S88.4Confident92.2Very high112 Ų11251.1 Ų51.178%0.78327%0.265SS*.THydrogen-bonded Turntrans-79.13.6177.6-45.40000114.5G867G867-S869 PolarHBondContact O-N 3.02Å
870Y92.1Very high92.1Very high86 Ų8650.7 Ų50.734%0.33726%0.263SS..SBendtrans-135153.7-172.6-58.9-88.7000112F740 W866 G867 P868 R872F740-Y870 AromaticContact CE1-CE1 3.84Å; F740-Y870 HydrophobicContact CE1-CE1 3.84Å; F740-Y870 AromaticContact CE1-CZ 3.85Å; F740-Y870 WeakPolarHBondContact CE1-OH 3.45Å; F740-Y870 HydrophobicContact CZ-CE1 4.44Å; W866-Y870 WeakPolarHBondContact O-CD2 3.21Å; G867-Y870 PolarHBondContact O-N 3.17Å; P868-Y870 PolarHBondContact O-N 3.32Å; Y870-R872 PolarHBondContact O-N 3.01Å
871R91.8Very high91.9Very high253 Ų25351.2 Ų51.296%0.95527%0.265SS*.SBendtrans-61.4-5.3174.3-176.8171.4175.2-165.60.8114.6
872R92.5Very high91.8Very high81 Ų8151.2 Ų51.231%0.30627%0.265SS..  trans-113115.4-178.9-63.6-178.5-168.7-68.2-17.5107.9W866 G867 Y870 H877W866-R872 CarbonylContact C-O 3.59Å; W866-R872 WeakPolarHBondContact CA-O 3.14Å; W866-R872 HydrophobicContact CB-CB 3.97Å; W866-R872 WeakPolarHBondContact CB-O 3.27Å; G867-R872 PolarHBondContact N-O 2.88Å; Y870-R872 PolarHBondContact O-N 3.01Å; R872-H877 HydrophobicContact CB-CB 4Å; R872-H877 WeakPolarHBondContact CD-O 2.99Å; R872-H877 HydrophobicContact CG-CB 4.18Å; R872-H877 PolarHBondContact NH1-O 2.72Å
873P89.1Confident91.8Very high84 Ų8452.1 Ų52.155%0.54527%0.269SS..SBendtrans-65.3-48.5-17524.9-32.3000110.9G867G867-P873 WeakPolarHBondContact CA-O 3.14Å; G867-P873 PolarHBondContact N-O 3.05Å
874D90.6Very high91.8Very high57 Ų5751.7 Ų51.731%0.30527%0.265SS..SBendtrans-123.3173.5-17963.969.4000112.6W866 T876 H877W866-D874 WeakPolarHBondContact CB-O 3.48Å; D874-T876 VanDerWaalsContact C-N 3.31Å; D874-T876 PolarHBondContact O-N 3.06Å; D874-T876 VanDerWaalsContact OD1-CA 3.29Å; D874-T876 WeakPolarHBondContact OD1-CA 3.46Å; D874-T876 WeakPolarHBondContact OD1-CB 3.48Å; D874-T876 WeakPolarHBondContact OD1-CG2 3.37Å; D874-T876 PolarHBondContact OD1-N 3.27Å; D874-T876 PolarHBondContact OD1-OG1 3.39Å; D874-H877 PolarHBondContact O-N 3.09Å; D874-H877 IonicContact OD1-CE1 3.62Å; D874-H877 IonicContact OD1-CG 3.91Å; D874-H877 PolarHBondContact OD1-N 3.32Å; D874-H877 IonicContact OD1-ND1 2.8Å; D874-H877 PolarHBondContact OD1-ND1 3.13Å; D874-H877 IonicContact OD2-CE1 2.61Å; D874-H877 PolarHBondContact OD2-CE1 3.49Å; D874-H877 IonicContact OD2-ND1 3.99Å; D874-H877 PolarHBondContact OD2-ND1 3.47Å
875V90.8Very high91.7Very high13 Ų1352.9 Ų52.98%0.07927%0.268CS..G310 helixtrans-70.7-21.7-179.173.40000113.8H859 W866 H877 C878 R881H859-V875 HydrophobicContact CB-CG1 4.5Å; H859-V875 HydrophobicContact CB-CG2 4.25Å; W866-V875 HydrophobicContact CD2-CB 3.78Å; W866-V875 HydrophobicContact CD2-CG2 3.87Å; W866-V875 HydrophobicContact CE3-CB 4.27Å; W866-V875 HydrophobicContact CE3-CG2 3.83Å; W866-V875 HydrophobicContact CG-CB 4.14Å; W866-V875 HydrophobicContact CH2-CB 4.4Å; W866-V875 HydrophobicContact CH2-CG2 3.77Å; W866-V875 HydrophobicContact CZ2-CB 3.91Å; W866-V875 HydrophobicContact CZ2-CG2 3.79Å; W866-V875 HydrophobicContact CZ3-CG2 3.79Å; V875-H877 PolarHBondContact O-N 3.2Å; V875-C878 VanDerWaalsContact O-CB 3.29Å; V875-C878 WeakPolarHBondContact O-CB 3.13Å; V875-C878 PolarHBondContact O-N 3.17Å; V875-R881 HydrophobicContact CG2-CB 4.5Å; V875-R881 WeakPolarHBondContact O-CD 3.43Å
876T90.6Very high91.5Very high51 Ų5152.6 Ų52.631%0.31326%0.264SS..G310 helixtrans-67.9-28.9179.481.20000111.8D874 C878D874-T876 VanDerWaalsContact C-N 3.31Å; D874-T876 PolarHBondContact O-N 3.06Å; D874-T876 VanDerWaalsContact OD1-CA 3.29Å; D874-T876 WeakPolarHBondContact OD1-CA 3.46Å; D874-T876 WeakPolarHBondContact OD1-CB 3.48Å; D874-T876 WeakPolarHBondContact OD1-CG2 3.37Å; D874-T876 PolarHBondContact OD1-N 3.27Å; D874-T876 PolarHBondContact OD1-OG1 3.39Å; T876-C878 PolarHBondContact O-N 2.6Å
877H90.6Very high91Very high79 Ų7952.1 Ų52.137%0.36626%0.263SS..G310 helixtrans-70.3-8172.4-70.279.5000113.4R872 D874 V875R872-H877 HydrophobicContact CB-CB 4Å; R872-H877 WeakPolarHBondContact CD-O 2.99Å; R872-H877 HydrophobicContact CG-CB 4.18Å; R872-H877 PolarHBondContact NH1-O 2.72Å; D874-H877 PolarHBondContact O-N 3.09Å; D874-H877 IonicContact OD1-CE1 3.62Å; D874-H877 IonicContact OD1-CG 3.91Å; D874-H877 PolarHBondContact OD1-N 3.32Å; D874-H877 IonicContact OD1-ND1 2.8Å; D874-H877 PolarHBondContact OD1-ND1 3.13Å; D874-H877 IonicContact OD2-CE1 2.61Å; D874-H877 PolarHBondContact OD2-CE1 3.49Å; D874-H877 IonicContact OD2-ND1 3.99Å; D874-H877 PolarHBondContact OD2-ND1 3.47Å; V875-H877 PolarHBondContact O-N 3.2Å
878C93.4Very high90.5Very high0 Ų051.9 Ų51.90%026%0.259CS..SBendtrans-76.9135.7178.1-75.80000112.6S861 V875 T876 A880 R881S861-C878 WeakPolarHBondContact OG-CB 3.46Å; S861-C878 PolarHBondContact OG-SG 2.93Å; S861-C878 VanDerWaalsContact OG-SG 3.38Å; V875-C878 VanDerWaalsContact O-CB 3.29Å; V875-C878 WeakPolarHBondContact O-CB 3.13Å; V875-C878 PolarHBondContact O-N 3.17Å; T876-C878 PolarHBondContact O-N 2.6Å; C878-A880 PolarHBondContact O-N 2.88Å; C878-R881 HydrophobicContact CB-CB 4.48Å
879P91.9Very high89.7Confident4 Ų448.3 Ų48.33%0.02623%0.23CC..SBendtrans-70.7-28.9-168.529.2-36.6000113.8E547 S548 S703 G704 Q707 K864E547-P879 CarbonylContact C-O 3.54Å; E547-P879 WeakPolarHBondContact CA-O 3.17Å; S548-P879 PolarHBondContact N-O 2.99Å; S703-P879 WeakPolarHBondContact OG-CB 3.18Å; G704-P879 WeakPolarHBondContact CA-O 3.29Å; Q707-P879 HydrophobicContact CG-CG 4.31Å; K864-P879 HydrophobicContact CG-CG 4.26Å
880A92.1Very high88.8Confident0 Ų044 Ų440%020%0.198CC..EExtended strand (participates in β ladder)trans-139.6125.417100000108.9Y545 Q707 S861 L862 C878Y545-A880 HydrophobicContact CE2-CB 4.19Å; Q707-A880 HydrophobicContact CB-CB 4.35Å; S861-A880 PolarHBondContact OG-O 3.13Å; L862-A880 HydrophobicContact CB-CB 4.28Å; L862-A880 HydrophobicContact CD1-CB 4.14Å; L862-A880 HydrophobicContact CG-CB 4.39Å; L862-A880 PolarHBondContact N-O 2.76Å; L862-A880 VanDerWaalsContact N-O 3.09Å; C878-A880 PolarHBondContact O-N 2.88Å
881R92.6Very high87.7Confident11 Ų1140 Ų404%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-146.9149.2-174.965.6-165.8-176.392.42112.1Y545 W546 S548 I860 V875 C878 E883Y545-R881 VanDerWaalsContact CD2-O 3.29Å; Y545-R881 WeakPolarHBondContact CD2-O 3.41Å; W546-R881 HydrophobicContact CB-CG 3.66Å; W546-R881 HydrophobicContact CG-CG 4.37Å; W546-R881 PolarHBondContact N-O 3.03Å; W546-R881 PolarHBondContact O-N 3.11Å; S548-R881 PolarHBondContact O-NE 3.46Å; I860-R881 CarbonylContact O-C 3.58Å; I860-R881 VanDerWaalsContact O-CA 3.25Å; I860-R881 WeakPolarHBondContact O-CA 3.38Å; V875-R881 HydrophobicContact CG2-CB 4.5Å; V875-R881 WeakPolarHBondContact O-CD 3.43Å; C878-R881 HydrophobicContact CB-CB 4.48Å; R881-E883 IonicContact CZ-OE1 2.84Å; R881-E883 IonicContact NH1-OE1 3.84Å; R881-E883 PolarHBondContact NH1-OE1 2.87Å
882L93.7Very high86.3Confident1 Ų128.7 Ų28.71%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-119.1145.2177.4-65.8160.9000109I543 S544 Y545 I566 L617 I716 I860 L862I543-L882 HydrophobicContact CG2-CD2 3.8Å; S544-L882 WeakPolarHBondContact O-CA 3.06Å; Y545-L882 HydrophobicContact CD2-CD2 3.71Å; Y545-L882 HydrophobicContact CD2-CG 4.22Å; Y545-L882 HydrophobicContact CG-CD2 4.05Å; I566-L882 HydrophobicContact CD1-CD1 4.19Å; I566-L882 HydrophobicContact CG2-CD1 4.12Å; L617-L882 HydrophobicContact CD2-CD2 4.04Å; I716-L882 HydrophobicContact CD1-CD1 3.87Å; I860-L882 HydrophobicContact CB-CB 4.24Å; I860-L882 PolarHBondContact N-O 3.23Å; I860-L882 PolarHBondContact O-N 2.97Å; L862-L882 HydrophobicContact CD2-CD1 4.39Å
883E93Very high84.6Confident19 Ų1928 Ų289%0.08915%0.146CC..EExtended strand (participates in β ladder)trans-123.9114.8173.8-65.9169.8174.300107.9I543 S544 W546 I857 R881I543-E883 WeakPolarHBondContact CA-O 3.46Å; S544-E883 PolarHBondContact N-O 3.45Å; S544-E883 PolarHBondContact O-N 3.28Å; W546-E883 PolarHBondContact NE1-OE1 3.09Å; W546-E883 PolarHBondContact NE1-OE2 3.28Å; I857-E883 HydrophobicContact CG2-CB 3.97Å; I857-E883 HydrophobicContact CG2-CG 4.43Å; R881-E883 IonicContact CZ-OE1 2.84Å; R881-E883 IonicContact NH1-OE1 3.84Å; R881-E883 PolarHBondContact NH1-OE1 2.87Å
884V92.8Very high83Confident0 Ų025.5 Ų25.50%013%0.129CC..EExtended strand (participates in β ladder)trans-103107.8-180-173.30000107.8A541 N542 I543 L718 I857 I858 I860 I886A541-V884 HydrophobicContact CB-CG1 4.24Å; N542-V884 WeakPolarHBondContact O-CA 3.32Å; I543-V884 HydrophobicContact CD1-CG1 4.5Å; I543-V884 HydrophobicContact CD1-CG2 4.08Å; I543-V884 HydrophobicContact CG1-CG1 4.26Å; I543-V884 HydrophobicContact CG1-CG2 4.17Å; L718-V884 HydrophobicContact CD1-CG1 4.14Å; L718-V884 HydrophobicContact CD1-CG2 3.82Å; I857-V884 WeakPolarHBondContact CA-O 3.25Å; I858-V884 HydrophobicContact CB-CB 4.26Å; I858-V884 PolarHBondContact N-O 3.13Å; I858-V884 PolarHBondContact O-N 3.33Å; I860-V884 HydrophobicContact CD1-CG2 3.75Å; V884-I886 HydrophobicContact CG1-CD1 4.05Å
885W91.6Very high81.3Confident92 Ų9224 Ų2435%0.34812%0.12SC..EExtended strand (participates in β ladder)trans-92.3117178-56.753.4000108.1A541 N542 I857A541-W885 WeakPolarHBondContact CA-O 3.36Å; N542-W885 HydrophobicContact CB-CB 4.15Å; N542-W885 PolarHBondContact N-O 2.75Å; N542-W885 PolarHBondContact O-N 2.63Å; I857-W885 HydrophobicContact CD1-CD2 3.84Å; I857-W885 HydrophobicContact CD1-CE3 3.93Å; I857-W885 HydrophobicContact CD1-CH2 3.68Å; I857-W885 HydrophobicContact CD1-CZ2 3.56Å; I857-W885 HydrophobicContact CD1-CZ3 3.86Å; I857-W885 HydrophobicContact CG1-CD2 3.79Å; I857-W885 HydrophobicContact CG1-CE3 3.96Å; I857-W885 HydrophobicContact CG1-CG 4.14Å; I857-W885 HydrophobicContact CG1-CZ2 4.43Å; I857-W885 HydrophobicContact CG1-CZ3 4.36Å
886I89.3Confident79.5Confident0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-85.4128.9-179.7-58.8-58.8000109.7W540 V726 F786 N855 P856 I858 V884 L888 L891W540-I886 HydrophobicContact CE3-CD1 4.33Å; W540-I886 HydrophobicContact CZ3-CD1 3.96Å; V726-I886 HydrophobicContact CG2-CD1 4.16Å; F786-I886 HydrophobicContact CD1-CG2 4.32Å; F786-I886 HydrophobicContact CD2-CG1 4.38Å; F786-I886 HydrophobicContact CE1-CG2 4.05Å; F786-I886 HydrophobicContact CG-CG1 4.39Å; F786-I886 HydrophobicContact CZ-CG2 4.16Å; N855-I886 WeakPolarHBondContact CB-O 3.47Å; N855-I886 PolarHBondContact OD1-O 2.81Å; P856-I886 HydrophobicContact CG-CB 4.15Å; P856-I886 PolarHBondContact O-N 3.39Å; I858-I886 HydrophobicContact CD1-CD1 4.11Å; I858-I886 HydrophobicContact CD1-CG1 4.12Å; I858-I886 HydrophobicContact CG1-CG1 4.43Å; V884-I886 HydrophobicContact CG1-CD1 4.05Å; I886-L888 HydrophobicContact CG2-CD2 4.42Å; I886-L888 PolarHBondContact O-N 3.41Å; I886-L891 HydrophobicContact CG2-CD1 3.41Å; I886-L891 VanDerWaalsContact CG2-CD1 3.41Å; I886-L891 HydrophobicContact CG2-CG 4.44Å
887N85.7Confident77.6Confident3 Ų327.5 Ų27.52%0.01614%0.142CC..  trans-91.793-177.4-174.618.6000111.6K538 P539 W540 W556 E889 H890 L891K538-N887 WeakPolarHBondContact CB-ND2 3.49Å; P539-N887 WeakPolarHBondContact O-CB 3.31Å; P539-N887 PolarHBondContact O-ND2 3.38Å; W540-N887 WeakPolarHBondContact O-CB 3.47Å; W540-N887 PolarHBondContact O-N 2.84Å; W556-N887 HydrophobicContact CZ3-CB 4.26Å; N887-E889 PolarHBondContact O-N 3.05Å; N887-H890 PolarHBondContact O-N 3.19Å; N887-H890 VanDerWaalsContact O-N 3.07Å; N887-L891 PolarHBondContact O-N 3.27Å
888L80.4Confident75.4Confident3 Ų327 Ų272%0.01614%0.142CC..Hα-helixtrans-61.3-41.3-174-64.2176.2000112.9F786 L788 Y791 N855 P856 I886 H890 L891 F892F786-L888 HydrophobicContact CZ-CD2 3.84Å; L788-L888 HydrophobicContact CD1-CD2 4.11Å; Y791-L888 HydrophobicContact CD1-CD1 4.26Å; Y791-L888 HydrophobicContact CD1-CD2 4.24Å; Y791-L888 HydrophobicContact CE1-CD1 3.65Å; Y791-L888 HydrophobicContact CE1-CD2 4.35Å; N855-L888 PolarHBondContact OD1-N 3.14Å; P856-L888 HydrophobicContact CG-CD1 4.1Å; P856-L888 HydrophobicContact CG-CD2 3.9Å; P856-L888 HydrophobicContact CG-CG 4.05Å; I886-L888 HydrophobicContact CG2-CD2 4.42Å; I886-L888 PolarHBondContact O-N 3.41Å; L888-H890 PolarHBondContact O-N 3.34Å; L888-L891 PolarHBondContact O-N 2.94Å; L888-F892 HydrophobicContact CB-CD2 4.43Å; L888-F892 HydrophobicContact CB-CE2 3.87Å; L888-F892 WeakPolarHBondContact O-CD2 3.18Å; L888-F892 PolarHBondContact O-N 3.42Å
889E70.6Confident73.1Confident66 Ų6635.3 Ų35.331%0.30818%0.178SC..Hα-helixtrans-52.1-18.4175.8-69.7-165.8129.100113.3K538 K848 N887K538-E889 IonicContact NZ-OE2 2.63Å; K538-E889 PolarHBondContact NZ-OE2 3.19Å; K848-E889 IonicContact NZ-OE1 2.75Å; K848-E889 PolarHBondContact NZ-OE1 2.76Å; N887-E889 PolarHBondContact O-N 3.05Å
890H69.4Low72.1Confident22 Ų2236.9 Ų36.910%0.10219%0.186CC..Hα-helixtrans-111.4-10.7178.7-139.5-54000115.9L537 K538 I559 N887 L888 V894L537-H890 WeakPolarHBondContact CA-NE2 3.46Å; L537-H890 VanDerWaalsContact CB-NE2 3.31Å; L537-H890 WeakPolarHBondContact CB-NE2 3.37Å; L537-H890 WeakPolarHBondContact CD2-NE2 3.4Å; K538-H890 PolarHBondContact N-CD2 2.93Å; K538-H890 PolarHBondContact N-NE2 3.18Å; K538-H890 PolarHBondContact O-CD2 2.91Å; I559-H890 VanDerWaalsContact CD1-CE1 3.4Å; I559-H890 WeakPolarHBondContact CD1-CE1 3.35Å; I559-H890 WeakPolarHBondContact CG1-ND1 3.48Å; N887-H890 PolarHBondContact O-N 3.19Å; N887-H890 VanDerWaalsContact O-N 3.07Å; L888-H890 PolarHBondContact O-N 3.34Å; H890-V894 WeakPolarHBondContact O-CG2 3.48Å
891L68.4Low71.1Confident2 Ų238.8 Ų38.81%0.0120%0.196CC..Hα-helixtrans-85-38.5173.5-71.5-176.4000111.8L720 F786 L788 I886 N887 L888 V894 F895L720-L891 HydrophobicContact CD1-CD2 3.74Å; L720-L891 HydrophobicContact CD2-CD2 3.84Å; L720-L891 HydrophobicContact CG-CD2 4.46Å; F786-L891 HydrophobicContact CD1-CD1 4.38Å; F786-L891 HydrophobicContact CE1-CD1 3.86Å; L788-L891 HydrophobicContact CD1-CB 4.04Å; L788-L891 HydrophobicContact CD1-CD1 4.45Å; L788-L891 HydrophobicContact CD2-CB 4.1Å; I886-L891 HydrophobicContact CG2-CD1 3.41Å; I886-L891 VanDerWaalsContact CG2-CD1 3.41Å; I886-L891 HydrophobicContact CG2-CG 4.44Å; N887-L891 PolarHBondContact O-N 3.27Å; L888-L891 PolarHBondContact O-N 2.94Å; L891-V894 PolarHBondContact O-N 3.41Å; L891-V894 VanDerWaalsContact O-N 3.14Å; L891-F895 PolarHBondContact O-N 2.87Å
892F64.1Low69.9Low15 Ų1540.3 Ų40.37%0.06620%0.204CC..Hα-helixtrans-52.6-48.4178.2-65.3-71.7000113.6E792 H844 L888 V894 F895 I896E792-F892 HydrophobicContact CG-CE1 3.76Å; E792-F892 HydrophobicContact CG-CZ 4.49Å; E792-F892 VanDerWaalsContact OE1-CD1 3.23Å; E792-F892 WeakPolarHBondContact OE1-CD1 3.36Å; E792-F892 WeakPolarHBondContact OE1-CE1 3.34Å; H844-F892 AromaticContact CD2-CD2 3.32Å; H844-F892 WeakPolarHBondContact CD2-CD2 3.32Å; H844-F892 AromaticContact CD2-CG 3.62Å; H844-F892 AromaticContact NE2-CD2 3.46Å; H844-F892 WeakPolarHBondContact NE2-CD2 3.25Å; L888-F892 HydrophobicContact CB-CD2 4.43Å; L888-F892 HydrophobicContact CB-CE2 3.87Å; L888-F892 WeakPolarHBondContact O-CD2 3.18Å; L888-F892 PolarHBondContact O-N 3.42Å; F892-V894 VanDerWaalsContact C-N 3.29Å; F892-V894 PolarHBondContact O-N 2.85Å; F892-F895 PolarHBondContact O-N 3.09Å; F892-I896 VanDerWaalsContact O-CG1 3.29Å; F892-I896 WeakPolarHBondContact O-CG1 3.5Å; F892-I896 PolarHBondContact O-N 3.15Å
893P56Low68.5Low65 Ų6542.6 Ų42.642%0.42222%0.216SC..Hα-helixtrans-66.4-30.2-178.6-20.734.8000113.4S897P893-S897 WeakPolarHBondContact O-CB 3.23Å; P893-S897 PolarHBondContact O-N 2.75Å; P893-S897 PolarHBondContact O-OG 3.32Å
894V55.3Low67Low33 Ų3344.1 Ų44.120%0.222%0.224CC..Hα-helixtrans-75.9-31.5178.81800000111.1I559 H890 L891 F892 S897 N898I559-V894 HydrophobicContact CG2-CG2 4.01Å; H890-V894 WeakPolarHBondContact O-CG2 3.48Å; L891-V894 PolarHBondContact O-N 3.41Å; L891-V894 VanDerWaalsContact O-N 3.14Å; F892-V894 VanDerWaalsContact C-N 3.29Å; F892-V894 PolarHBondContact O-N 2.85Å; V894-S897 PolarHBondContact O-OG 3.25Å; V894-N898 VanDerWaalsContact O-CG 3.22Å; V894-N898 PolarHBondContact O-ND2 3.34Å
895F54.3Low65.3Low26 Ų2647.1 Ų47.111%0.11424%0.239CC..Hα-helixtrans-72-45.8172.6-172.8-117.4000111.1L788 L891 F892 S897 N898 K899L788-F895 HydrophobicContact CD2-CB 3.63Å; L788-F895 HydrophobicContact CD2-CD1 4.24Å; L788-F895 HydrophobicContact CD2-CD2 4.36Å; L788-F895 HydrophobicContact CD2-CG 3.86Å; L891-F895 PolarHBondContact O-N 2.87Å; F892-F895 PolarHBondContact O-N 3.09Å; F895-S897 VanDerWaalsContact C-N 3.3Å; F895-S897 PolarHBondContact O-N 3.35Å; F895-N898 PolarHBondContact O-N 3.07Å; F895-N898 VanDerWaalsContact O-N 3.12Å; F895-K899 PolarHBondContact O-N 3.34Å
896I53.1Low63.4Low53 Ų5343.9 Ų43.927%0.27223%0.231SC..Hα-helixtrans-62.7-34.4177.7-66.4165.1000111.7F837 L840 F892 N898F837-I896 HydrophobicContact CE1-CG2 3.94Å; L840-I896 HydrophobicContact CD1-CG1 4.48Å; F892-I896 VanDerWaalsContact O-CG1 3.29Å; F892-I896 WeakPolarHBondContact O-CG1 3.5Å; F892-I896 PolarHBondContact O-N 3.15Å; I896-N898 PolarHBondContact O-N 2.98Å
897S50.7Low61.4Low84 Ų8447.2 Ų47.259%0.58725%0.249SC*.THydrogen-bonded Turntrans-76.3-4.3176.976.10000115.1P893 V894 F895P893-S897 WeakPolarHBondContact O-CB 3.23Å; P893-S897 PolarHBondContact O-N 2.75Å; P893-S897 PolarHBondContact O-OG 3.32Å; V894-S897 PolarHBondContact O-OG 3.25Å; F895-S897 VanDerWaalsContact C-N 3.3Å; F895-S897 PolarHBondContact O-N 3.35Å
898N46.1Very low59.4Low67 Ų6750.9 Ų50.936%0.35827%0.268SS..THydrogen-bonded Turntrans-122.66.1-175.4-65.4-24.1000112.9T722 V894 F895 I896T722-N898 PolarHBondContact O-ND2 3.36Å; V894-N898 VanDerWaalsContact O-CG 3.22Å; V894-N898 PolarHBondContact O-ND2 3.34Å; F895-N898 PolarHBondContact O-N 3.07Å; F895-N898 VanDerWaalsContact O-N 3.12Å; I896-N898 PolarHBondContact O-N 2.98Å
899K43.8Very low57.4Low175 Ų17555.3 Ų55.376%0.76129%0.291SS*.  trans-89.90162.1-86.2-172.2167.4-169.20109.3F895F895-K899 PolarHBondContact O-N 3.34Å

Retrieved 899 of 899 residues in 1018.8 ms (Link to these results)

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