A0A3Q0KJB4_SCHMA Loading...

Putative abc transporter

AlphaFold DB , UniProt , Accession A0A3Q0KJB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,400 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.2Very low54.4Low154 Ų15488.4 Ų88.476%0.75950%0.503SS*.  0123.80-66.2176.875.200109.8D830M1-D830 VanDerWaalsContact N-CG 3.28Å; M1-D830 PolarHBondContact N-OD1 2.8Å; M1-D830 PolarHBondContact N-OD2 2.8Å
2S29.1Very low56.2Low107 Ų10788.8 Ų88.875%0.74852%0.516SS*.  trans-104.2162.5-172.547.60000114.6V4S2-V4 PolarHBondContact O-N 3.05Å
3N32Very low57.8Low173 Ų17384.3 Ų84.393%0.92550%0.495SS*.  trans-59.894.1-171.6-72.6-20.6000114.5
4V45.2Very low59Low78 Ų7882.9 Ų82.947%0.47349%0.492SS..  trans-89.6106.6155.5-179.60000107.3S2 M6S2-V4 PolarHBondContact O-N 3.05Å; V4-M6 PolarHBondContact O-N 3.39Å
5G46.3Very low59.9Low58 Ų5878.7 Ų78.760%0.59846%0.464SS*.  trans-56.7134.6-178.700000112.5I7G5-I7 PolarHBondContact O-N 3.37Å
6M52.3Low60.2Low116 Ų11680.4 Ų80.457%0.57147%0.466SS*.  trans-58.8121.5-175.6-177.4179.572.500111.5V4 S8 L128 D130V4-M6 PolarHBondContact O-N 3.39Å; M6-S8 PolarHBondContact O-N 3.01Å; M6-S8 VanDerWaalsContact O-N 3.11Å; M6-L128 HydrophobicContact CG-CB 4.49Å; M6-D130 HydrophobicContact CE-CB 4.01Å; M6-D130 HydrophobicContact CG-CB 4.28Å; M6-D130 HydrophobicContact SD-CB 4.04Å
7I63.6Low59.9Low53 Ų5377.7 Ų77.727%0.27246%0.456SS..EExtended strand (participates in β ladder)trans-86.489-174.4-50.2175.7000109.5G5 M9 I70 L128 D130G5-I7 PolarHBondContact O-N 3.37Å; I7-M9 HydrophobicContact CB-CE 4.18Å; I7-M9 HydrophobicContact CG2-CE 3.75Å; I7-M9 HydrophobicContact CG2-CG 3.99Å; I7-M9 HydrophobicContact CG2-SD 3.84Å; I7-M9 VanDerWaalsContact O-CE 3.32Å; I7-M9 WeakPolarHBondContact O-CE 3.37Å; I7-I70 HydrophobicContact CD1-CB 4.44Å; I7-I70 HydrophobicContact CD1-CG1 4.3Å; I7-I70 HydrophobicContact CD1-CG2 3.77Å; I7-L128 PolarHBondContact N-O 3.26Å; I7-D130 PolarHBondContact O-N 3.45Å
8S68Low59.3Low57 Ų5781.4 Ų81.440%0.39947%0.468SS..EExtended strand (participates in β ladder)trans-74.9131.8175-177.50000112.4M6 D130M6-S8 PolarHBondContact O-N 3.01Å; M6-S8 VanDerWaalsContact O-N 3.11Å; S8-D130 CarbonylContact C-O 3.51Å; S8-D130 WeakPolarHBondContact CA-O 3.22Å; S8-D130 WeakPolarHBondContact CB-OD2 3.47Å; S8-D130 PolarHBondContact OG-OD2 2.99Å
9M76.2Confident58.7Low14 Ų1486.7 Ų86.77%0.06949%0.485CS..EExtended strand (participates in β ladder)trans-154.490.3-169.3-64.7176.2-75.300110.9I7 P68 I70 I129 D130 F131 T132I7-M9 HydrophobicContact CB-CE 4.18Å; I7-M9 HydrophobicContact CG2-CE 3.75Å; I7-M9 HydrophobicContact CG2-CG 3.99Å; I7-M9 HydrophobicContact CG2-SD 3.84Å; I7-M9 VanDerWaalsContact O-CE 3.32Å; I7-M9 WeakPolarHBondContact O-CE 3.37Å; M9-P68 HydrophobicContact CG-CG 4.39Å; M9-P68 HydrophobicContact SD-CB 4.29Å; M9-P68 HydrophobicContact SD-CG 4.07Å; M9-I70 HydrophobicContact CE-CD1 3.92Å; M9-I70 HydrophobicContact CE-CG1 4.26Å; M9-I129 HydrophobicContact CE-CB 4.34Å; M9-I129 HydrophobicContact CE-CG2 4.23Å; M9-D130 PolarHBondContact N-O 3.08Å; M9-F131 HydrophobicContact CB-CD2 4.43Å; M9-F131 HydrophobicContact CE-CB 4.46Å; M9-F131 HydrophobicContact CE-CD2 4.47Å; M9-T132 PolarHBondContact O-N 3.17Å
10K76.3Confident58.2Low131 Ų13188.7 Ų88.757%0.5751%0.505SS*.EExtended strand (participates in β ladder)trans-88.4126.9174-163.5163.1-172.6168.50111.9I1177K10-I1177 HydrophobicContact CD-CD1 3.7Å
11M76Confident58.3Low31 Ų3187.2 Ų87.215%0.15350%0.5CS..EExtended strand (participates in β ladder)trans-132.2160.3-175.6-44.7-155.7-43.400112.2L65 F131 T132 C133 N134M11-L65 HydrophobicContact CB-CD2 4.29Å; M11-L65 HydrophobicContact CE-CB 3.89Å; M11-L65 HydrophobicContact CE-CD2 3.91Å; M11-L65 HydrophobicContact CE-CG 4.41Å; M11-F131 HydrophobicContact CE-CD2 4.5Å; M11-F131 HydrophobicContact CE-CE2 3.34Å; M11-F131 HydrophobicContact CE-CZ 3.57Å; M11-F131 HydrophobicContact CG-CE2 4.35Å; M11-F131 HydrophobicContact SD-CE2 3.92Å; M11-T132 PolarHBondContact N-O 2.81Å; M11-C133 HydrophobicContact CB-CB 4.14Å; M11-C133 VanDerWaalsContact O-CA 3.29Å; M11-C133 WeakPolarHBondContact O-CA 3.27Å; M11-N134 PolarHBondContact O-N 2.97Å
12S76.6Confident59.8Low94 Ų9485.4 Ų85.466%0.65750%0.502SS*.EExtended strand (participates in β ladder)trans-152.6148.9172.758.30000112N134S12-N134 CarbonylContact C-O 3.6Å; S12-N134 VanDerWaalsContact CA-O 3.28Å; S12-N134 WeakPolarHBondContact CA-O 3.46Å
13A77Confident62Low30 Ų3084.7 Ų84.725%0.24849%0.49CS..EExtended strand (participates in β ladder)trans-146.7155.4167.700000111.9L65 N134 I135 Q136A13-L65 HydrophobicContact CB-CD1 3.91Å; A13-L65 HydrophobicContact CB-CD2 3.91Å; A13-L65 HydrophobicContact CB-CG 3.87Å; A13-N134 PolarHBondContact N-O 2.91Å; A13-I135 WeakPolarHBondContact O-CA 3.42Å; A13-Q136 PolarHBondContact O-N 2.85Å; A13-Q136 VanDerWaalsContact O-N 3.12Å
14S73.7Confident64.3Low64 Ų6477.4 Ų77.445%0.44845%0.454SS..EExtended strand (participates in β ladder)trans-106.5127.9161.6-178.60000110.2E16 Q136S14-E16 WeakPolarHBondContact OG-CG 3.34Å; S14-Q136 VanDerWaalsContact OG-CD 3.25Å; S14-Q136 PolarHBondContact OG-OE1 3.48Å
15W72.2Confident66.2Low20 Ų2077.5 Ų77.58%0.07645%0.451CS..EExtended strand (participates in β ladder)trans-121.441.2176.5-56.7-17000110.4A17 V55 R56 M57 R63 L65 I135 Q136 L148W15-A17 PolarHBondContact O-N 2.91Å; W15-V55 HydrophobicContact CH2-CG1 4.36Å; W15-V55 VanDerWaalsContact CH2-O 3.32Å; W15-V55 WeakPolarHBondContact CH2-O 3.11Å; W15-R56 VanDerWaalsContact CH2-CA 3.42Å; W15-M57 HydrophobicContact CE3-CG 3.84Å; W15-M57 HydrophobicContact CZ3-CG 3.92Å; W15-R63 HydrophobicContact CD2-CB 4.17Å; W15-R63 HydrophobicContact CG-CB 3.94Å; W15-R63 PolarHBondContact O-NH1 3.47Å; W15-L65 HydrophobicContact CH2-CD1 4.47Å; W15-L65 HydrophobicContact CZ2-CB 4.16Å; W15-L65 HydrophobicContact CZ2-CD1 3.88Å; W15-L65 HydrophobicContact CZ2-CG 3.88Å; W15-I135 HydrophobicContact CD2-CG2 3.75Å; W15-I135 HydrophobicContact CE3-CG2 3.32Å; W15-I135 HydrophobicContact CG-CG2 4.42Å; W15-I135 HydrophobicContact CH2-CD1 3.59Å; W15-I135 HydrophobicContact CH2-CG1 4.05Å; W15-I135 HydrophobicContact CH2-CG2 3.99Å; W15-I135 HydrophobicContact CZ2-CD1 4.28Å; W15-I135 HydrophobicContact CZ2-CG1 4.33Å; W15-I135 HydrophobicContact CZ2-CG2 4.39Å; W15-I135 HydrophobicContact CZ3-CD1 3.93Å; W15-I135 HydrophobicContact CZ3-CG1 4.34Å; W15-I135 HydrophobicContact CZ3-CG2 3.46Å; W15-I135 VanDerWaalsContact CZ3-CG2 3.46Å; W15-Q136 CarbonylContact C-O 3.55Å; W15-Q136 WeakPolarHBondContact CA-O 3.49Å; W15-Q136 WeakPolarHBondContact CB-O 3.48Å; W15-Q136 PolarHBondContact N-O 2.82Å; W15-L148 HydrophobicContact CZ3-CD1 4.41Å
16E65.2Low68.2Low106 Ų10676.8 Ų76.850%0.49544%0.436SS..  trans-47.1121.9169.3-75.6172.4170.100112.1S14 R63 Q136S14-E16 WeakPolarHBondContact OG-CG 3.34Å; E16-R63 VanDerWaalsContact C-NH1 3.28Å; E16-R63 VanDerWaalsContact O-CZ 3.26Å; E16-R63 PolarHBondContact O-NH1 2.74Å; E16-R63 PolarHBondContact O-NH2 2.97Å; E16-Q136 HydrophobicContact CG-CG 4.1Å; E16-Q136 VanDerWaalsContact CG-NE2 3.32Å; E16-Q136 PolarHBondContact OE1-NE2 2.99Å
17A55.5Low70.1Confident35 Ų3573.1 Ų73.129%0.28942%0.416SS..  trans-58.4142.2-178.600000112.4W15 K19 S138 F140W15-A17 PolarHBondContact O-N 2.91Å; A17-K19 PolarHBondContact O-N 2.96Å; A17-K19 VanDerWaalsContact O-N 3.16Å; A17-S138 VanDerWaalsContact CB-OG 3.25Å; A17-S138 WeakPolarHBondContact CB-OG 3.17Å; A17-S138 PolarHBondContact N-OG 3.21Å; A17-S138 VanDerWaalsContact N-OG 3.14Å; A17-F140 HydrophobicContact CB-CZ 4.44Å
18E48.2Very low71.4Confident144 Ų14473.3 Ų73.367%0.67342%0.417SS*.SBendtrans-68.5110.2176.4-83.7149.6-136.600110.1R63E18-R63 IonicContact OE1-CZ 2.78Å; E18-R63 IonicContact OE1-NE 3.8Å; E18-R63 IonicContact OE1-NH2 3.21Å; E18-R63 PolarHBondContact OE1-NH2 3.3Å
19K48.6Very low72.6Confident183 Ų18370.6 Ų70.680%0.79640%0.398SS*.SBendtrans64129.6-172-58-174.5178.6-174.60113.3A17 S21A17-K19 PolarHBondContact O-N 2.96Å; A17-K19 VanDerWaalsContact O-N 3.16Å; K19-S21 PolarHBondContact O-N 3.48Å; K19-S21 VanDerWaalsContact O-N 3.07Å
20S48.4Very low73.5Confident125 Ų12570.5 Ų70.587%0.87440%0.399SS*.  trans-73.396.8-175.951.90000112
21S60Low74.4Confident58 Ų5864.3 Ų64.341%0.40637%0.372SS..  trans-72.4143.316559.40000110.6K19 N23 A24K19-S21 PolarHBondContact O-N 3.48Å; K19-S21 VanDerWaalsContact O-N 3.07Å; S21-N23 PolarHBondContact O-N 3.06Å; S21-N23 VanDerWaalsContact O-N 3.16Å; S21-A24 PolarHBondContact O-N 2.84Å
22S65.8Low75.3Confident116 Ų11663 Ų6381%0.81137%0.366SS*.THydrogen-bonded Turntrans-56.8-30.3-178.546.30000113.5A24S22-A24 VanDerWaalsContact C-N 3.27Å; S22-A24 PolarHBondContact O-N 3.1Å
23N74.9Confident76.1Confident92 Ų9258.5 Ų58.549%0.49234%0.335SS..THydrogen-bonded Turntrans-84.918.5-177.2-66.6-13.9000114.1S21 F140 L141S21-N23 PolarHBondContact O-N 3.06Å; S21-N23 VanDerWaalsContact O-N 3.16Å; N23-F140 CarbonylContact O-C 3.48Å; N23-F140 VanDerWaalsContact O-CA 3.23Å; N23-F140 WeakPolarHBondContact O-CA 3.5Å; N23-L141 PolarHBondContact O-N 2.98Å
24A80.4Confident76.8Confident21 Ų2159.1 Ų59.117%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-135.4121.2-173.600000114S21 S22 H139 F140S21-A24 PolarHBondContact O-N 2.84Å; S22-A24 VanDerWaalsContact C-N 3.27Å; S22-A24 PolarHBondContact O-N 3.1Å; A24-H139 WeakPolarHBondContact CA-O 3.06Å; A24-F140 HydrophobicContact CB-CD1 3.64Å; A24-F140 HydrophobicContact CB-CE1 3.69Å; A24-F140 HydrophobicContact CB-CG 4.29Å; A24-F140 HydrophobicContact CB-CZ 4.37Å
25I85.6Confident77.6Confident79 Ų7958 Ų5841%0.40532%0.323SS..EExtended strand (participates in β ladder)trans-102.1126.9-176.5-57.3175.9000110.1R27 H139 L141I25-R27 HydrophobicContact CG2-CG 4.38Å; I25-R27 PolarHBondContact O-N 3.39Å; I25-H139 PolarHBondContact N-O 2.94Å; I25-H139 PolarHBondContact O-N 3.07Å; I25-L141 HydrophobicContact CD1-CD2 4.31Å
26P87.5Confident78.5Confident43 Ų4357 Ų5728%0.27932%0.319SS..EExtended strand (participates in β ladder)trans-68126.917529.4-34.2000111.1I216P26-I216 HydrophobicContact CB-CB 4.41Å; P26-I216 PolarHBondContact O-N 3.18Å
27R92.1Very high79.7Confident39 Ų3954 Ų5415%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-137.9148.6-176.6-79.5-178.2148.1-85.2-0.2111.5I25 Q136 Y137 H139 L181 S213 L214I25-R27 HydrophobicContact CG2-CG 4.38Å; I25-R27 PolarHBondContact O-N 3.39Å; R27-Q136 CarbonylContact O-C 3.56Å; R27-Q136 WeakPolarHBondContact O-CA 2.92Å; R27-Y137 HydrophobicContact CB-CD1 4.14Å; R27-Y137 HydrophobicContact CB-CE1 3.51Å; R27-Y137 PolarHBondContact N-O 3.21Å; R27-Y137 VanDerWaalsContact O-CD1 3.25Å; R27-Y137 WeakPolarHBondContact O-CD1 3.25Å; R27-Y137 PolarHBondContact O-N 3.49Å; R27-Y137 VanDerWaalsContact O-O 3.1Å; R27-H139 HydrophobicContact CB-CB 4.48Å; R27-H139 HydrophobicContact CG-CB 4.29Å; R27-L181 VanDerWaalsContact NH1-CD2 3.35Å; R27-S213 PolarHBondContact NH1-O 3.09Å; R27-S213 PolarHBondContact NH1-OG 3.1Å; R27-L214 CarbonylContact C-O 3.41Å; R27-L214 WeakPolarHBondContact CA-O 3.17Å; R27-L214 VanDerWaalsContact CB-O 3.3Å; R27-L214 WeakPolarHBondContact CB-O 3.42Å; R27-L214 WeakPolarHBondContact CG-O 3.41Å; R27-L214 VanDerWaalsContact NH1-C 3.31Å
28L91.5Very high81.4Confident57 Ų5752.4 Ų52.430%0.29829%0.292SS..EExtended strand (participates in β ladder)trans-101.5105.9173.1-177.562000108.8N134 Q136 S213 L214 I216L28-N134 HydrophobicContact CD1-CB 4.32Å; L28-Q136 HydrophobicContact CD1-CB 4.49Å; L28-S213 WeakPolarHBondContact O-CA 3.29Å; L28-L214 PolarHBondContact N-O 3.16Å; L28-L214 PolarHBondContact O-N 3.03Å; L28-I216 HydrophobicContact CB-CD1 4.11Å; L28-I216 HydrophobicContact CB-CG1 3.93Å
29C93.8Very high83Confident0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-80.1130.2167.3174.40000108.8I135 Y137 L211 S212C29-I135 HydrophobicContact CB-CB 4.16Å; C29-I135 WeakPolarHBondContact CB-O 3.48Å; C29-I135 PolarHBondContact N-O 2.82Å; C29-I135 PolarHBondContact O-N 3.09Å; C29-Y137 HydrophobicContact CB-CD1 3.72Å; C29-Y137 HydrophobicContact CB-CE1 3.61Å; C29-L211 VanDerWaalsContact SG-CD1 3.53Å; C29-S212 CarbonylContact C-O 3.38Å; C29-S212 WeakPolarHBondContact CA-O 3.49Å
30S94.6Very high84.3Confident13 Ų1346 Ų469%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-127.1121.6176.7-540000108.9L211 S212S30-L211 WeakPolarHBondContact O-CA 3.41Å; S30-S212 PolarHBondContact N-O 3.43Å; S30-S212 PolarHBondContact O-N 3.08Å
31L95.4Very high85.2Confident0 Ų043.4 Ų43.40%024%0.241CC..EExtended strand (participates in β ladder)trans-122.8138.7-173.4175.363.4000110.2L33 V55 F131 T132 C133 L148 I150 V208 Y210 L211L31-L33 HydrophobicContact CD1-CD2 3.75Å; L31-L33 HydrophobicContact CD1-CG 4.33Å; L31-L33 HydrophobicContact CD2-CD1 4.39Å; L31-L33 HydrophobicContact CD2-CD2 4.46Å; L31-L33 HydrophobicContact CD2-CG 4.46Å; L31-L33 HydrophobicContact CG-CD2 4.17Å; L31-L33 HydrophobicContact CG-CG 4.22Å; L31-V55 HydrophobicContact CD2-CG1 4.42Å; L31-V55 HydrophobicContact CD2-CG2 4.22Å; L31-F131 HydrophobicContact CD2-CE1 4.43Å; L31-T132 CarbonylContact O-C 3.6Å; L31-T132 WeakPolarHBondContact O-CA 3.37Å; L31-C133 PolarHBondContact N-O 3.14Å; L31-C133 PolarHBondContact O-N 2.97Å; L31-L148 HydrophobicContact CD2-CD2 4.43Å; L31-I150 HydrophobicContact CD1-CD1 4.3Å; L31-I150 HydrophobicContact CD2-CD1 3.81Å; L31-I150 HydrophobicContact CD2-CG1 4.12Å; L31-V208 HydrophobicContact CD1-CG1 4.12Å; L31-Y210 CarbonylContact C-O 3.56Å; L31-Y210 WeakPolarHBondContact CA-O 3.31Å; L31-L211 HydrophobicContact CB-CD1 4.16Å; L31-L211 HydrophobicContact CD1-CB 3.81Å; L31-L211 HydrophobicContact CD1-CD1 4.09Å; L31-L211 HydrophobicContact CD1-CD2 4.14Å; L31-L211 HydrophobicContact CD1-CG 4.22Å
32S94.5Very high85.5Confident4 Ų442.6 Ų42.63%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-138.5132.4171.4-161.50000111.1F131 V208 L209 Y210S32-F131 CarbonylContact C-O 3.58Å; S32-F131 VanDerWaalsContact CA-O 3.3Å; S32-F131 WeakPolarHBondContact CA-O 3.2Å; S32-V208 CarbonylContact O-C 3.53Å; S32-V208 WeakPolarHBondContact O-CA 3.35Å; S32-L209 PolarHBondContact O-N 3.33Å; S32-Y210 PolarHBondContact N-O 2.74Å; S32-Y210 PolarHBondContact O-N 2.99Å
33L94.4Very high85.4Confident0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-126.1137-174.9-50171.2000110.3L31 V53 I129 F131 I150 I206 E207 V208L31-L33 HydrophobicContact CD1-CD2 3.75Å; L31-L33 HydrophobicContact CD1-CG 4.33Å; L31-L33 HydrophobicContact CD2-CD1 4.39Å; L31-L33 HydrophobicContact CD2-CD2 4.46Å; L31-L33 HydrophobicContact CD2-CG 4.46Å; L31-L33 HydrophobicContact CG-CD2 4.17Å; L31-L33 HydrophobicContact CG-CG 4.22Å; L33-V53 HydrophobicContact CD1-CG1 4.16Å; L33-I129 HydrophobicContact CB-CD1 3.87Å; L33-F131 HydrophobicContact CB-CB 4.24Å; L33-F131 HydrophobicContact CB-CD1 4.44Å; L33-F131 HydrophobicContact CD1-CB 4.48Å; L33-F131 HydrophobicContact CD1-CD1 3.52Å; L33-F131 HydrophobicContact CD1-CE1 4.04Å; L33-F131 HydrophobicContact CD1-CG 4.24Å; L33-F131 HydrophobicContact CG-CD1 3.96Å; L33-F131 PolarHBondContact N-O 2.74Å; L33-F131 PolarHBondContact O-N 3.07Å; L33-F131 VanDerWaalsContact O-N 3.07Å; L33-I150 HydrophobicContact CD2-CD1 4.37Å; L33-I206 HydrophobicContact CD1-CD1 3.79Å; L33-I206 HydrophobicContact CD2-CD1 4.32Å; L33-I206 HydrophobicContact CD2-CG1 4.29Å; L33-E207 VanDerWaalsContact CA-O 3.26Å; L33-E207 WeakPolarHBondContact CA-O 2.95Å; L33-V208 HydrophobicContact CD2-CB 4.38Å; L33-V208 HydrophobicContact CD2-CG2 3.75Å
34V89.7Confident84.4Confident43 Ų4340.7 Ų40.726%0.26122%0.217SC..EExtended strand (participates in β ladder)trans-111.8-36.3-173.4-164.30000113.2I129 E207 L209V34-I129 CarbonylContact C-O 3.51Å; V34-I129 VanDerWaalsContact C-O 3.3Å; V34-I129 WeakPolarHBondContact CA-O 3.49Å; V34-I129 PolarHBondContact O-N 3.32Å; V34-E207 HydrophobicContact CB-CB 4.48Å; V34-E207 HydrophobicContact CB-CG 4.39Å; V34-E207 PolarHBondContact N-O 3.29Å; V34-L209 HydrophobicContact CG2-CB 3.61Å; V34-L209 HydrophobicContact CG2-CD1 4.25Å; V34-L209 HydrophobicContact CG2-CG 4.37Å
35Q91.2Very high83Confident40 Ų4048.1 Ų48.119%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-146.2142.4-172.4-164.8175.341.700111.1I37 S126 V127 L128 I206 E207Q35-I37 HydrophobicContact CG-CG1 3.97Å; Q35-S126 PolarHBondContact NE2-OG 3.01Å; Q35-V127 WeakPolarHBondContact CA-O 3.35Å; Q35-L128 HydrophobicContact CB-CD2 4.32Å; Q35-L128 HydrophobicContact CG-CD2 4.06Å; Q35-I206 WeakPolarHBondContact O-CA 3.48Å; Q35-E207 HydrophobicContact CB-CB 3.9Å; Q35-E207 WeakPolarHBondContact CB-OE2 3.05Å; Q35-E207 PolarHBondContact O-N 3.36Å
36I91.7Very high81.3Confident0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-115123.7163.9-64.7166.8000107L38 F51 V53 S126 V127 I129 L152 L192 I206I36-L38 HydrophobicContact CG2-CD2 3.98Å; I36-L38 HydrophobicContact CG2-CG 4.07Å; I36-F51 HydrophobicContact CD1-CE2 3.66Å; I36-F51 HydrophobicContact CD1-CZ 3.96Å; I36-V53 HydrophobicContact CD1-CG2 3.69Å; I36-S126 CarbonylContact O-C 3.49Å; I36-S126 WeakPolarHBondContact O-CA 3.47Å; I36-V127 PolarHBondContact N-O 3.34Å; I36-V127 PolarHBondContact O-N 3.33Å; I36-I129 HydrophobicContact CD1-CD1 3.86Å; I36-I129 HydrophobicContact CG1-CD1 3.97Å; I36-L152 HydrophobicContact CD1-CD2 3.93Å; I36-L152 HydrophobicContact CG2-CD1 4.21Å; I36-L192 HydrophobicContact CG2-CD1 4.38Å; I36-I206 HydrophobicContact CD1-CD1 4.12Å; I36-I206 HydrophobicContact CG1-CD1 3.68Å; I36-I206 HydrophobicContact CG1-CG1 3.79Å
37I90.8Very high79.6Confident41 Ų4148.3 Ų48.321%0.2126%0.255CS..EExtended strand (participates in β ladder)trans-111.9125.7173.3-54.7179.2000107Q35 F189 G204 R205Q35-I37 HydrophobicContact CG-CG1 3.97Å; I37-F189 HydrophobicContact CD1-CE1 3.66Å; I37-F189 HydrophobicContact CD1-CZ 4.21Å; I37-F189 HydrophobicContact CG1-CE1 4.32Å; I37-G204 CarbonylContact O-C 3.54Å; I37-G204 WeakPolarHBondContact O-CA 3.42Å; I37-R205 PolarHBondContact N-O 3.26Å; I37-R205 PolarHBondContact O-N 2.8Å; I37-R205 VanDerWaalsContact O-O 3.11Å
38L89.8Confident77.7Confident2 Ų252.9 Ų52.91%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-111.2108175-60.3175000107.6I36 R40 I42 L72 G124 V125 L152 L192I36-L38 HydrophobicContact CG2-CD2 3.98Å; I36-L38 HydrophobicContact CG2-CG 4.07Å; L38-R40 PolarHBondContact O-N 2.87Å; L38-R40 VanDerWaalsContact O-N 3.15Å; L38-I42 HydrophobicContact CD1-CD1 3.72Å; L38-I42 HydrophobicContact CD1-CG1 4.07Å; L38-I42 HydrophobicContact CD2-CD1 3.87Å; L38-I42 HydrophobicContact CD2-CG1 4.32Å; L38-I42 HydrophobicContact CG-CD1 4.41Å; L38-L72 HydrophobicContact CD1-CD1 4.36Å; L38-G124 CarbonylContact O-C 3.45Å; L38-G124 WeakPolarHBondContact O-CA 3.15Å; L38-V125 PolarHBondContact N-O 2.89Å; L38-V125 PolarHBondContact O-N 2.99Å; L38-L152 HydrophobicContact CD2-CD1 3.96Å; L38-L192 HydrophobicContact CD2-CD1 4.24Å
39D82.8Confident76.4Confident52 Ų5251.8 Ų51.828%0.27828%0.278SS..SBendtrans-66.1-15.8-177.3-64.4-73.2000111.8I203 G204 R205D39-I203 PolarHBondContact N-O 3.15Å; D39-I203 VanDerWaalsContact N-O 3.12Å; D39-G204 WeakPolarHBondContact OD2-CA 3.16Å; D39-R205 IonicContact OD1-CZ 3.16Å; D39-R205 IonicContact OD1-NE 2.93Å; D39-R205 PolarHBondContact OD1-NE 3.02Å; D39-R205 IonicContact OD1-NH2 2.68Å; D39-R205 PolarHBondContact OD1-NH2 2.96Å; D39-R205 IonicContact OD2-CZ 2.68Å; D39-R205 IonicContact OD2-NE 3.33Å; D39-R205 PolarHBondContact OD2-NE 3Å; D39-R205 IonicContact OD2-NH2 3.37Å
40R74.9Confident75.7Confident142 Ų14251.9 Ų51.954%0.53628%0.279SS..SBendtrans-143.6149.6173.4-52.3179.6-154.7-154.70.8110.6L38 I42L38-R40 PolarHBondContact O-N 2.87Å; L38-R40 VanDerWaalsContact O-N 3.15Å; R40-I42 PolarHBondContact O-N 2.94Å
41P67.2Low75.4Confident70 Ų7051.5 Ų51.546%0.45528%0.276SS..  trans-63123.6170.126.6-34000110.4E43P41-E43 PolarHBondContact O-N 2.83Å
42I66.2Low75.3Confident41 Ų4152.4 Ų52.421%0.2128%0.279CS..SBendtrans-65.7-36.1-169.2-57.5173000113L38 R40 L152 L170 I203L38-I42 HydrophobicContact CD1-CD1 3.72Å; L38-I42 HydrophobicContact CD1-CG1 4.07Å; L38-I42 HydrophobicContact CD2-CD1 3.87Å; L38-I42 HydrophobicContact CD2-CG1 4.32Å; L38-I42 HydrophobicContact CG-CD1 4.41Å; R40-I42 PolarHBondContact O-N 2.94Å; I42-L152 HydrophobicContact CD1-CD1 4.29Å; I42-L170 HydrophobicContact CD1-CB 4.15Å; I42-L170 HydrophobicContact CD1-CD1 4.23Å; I42-L170 HydrophobicContact CG2-CB 4.02Å; I42-L170 HydrophobicContact CG2-CD1 4.5Å; I42-L170 HydrophobicContact CG2-CD2 4.09Å; I42-L170 HydrophobicContact CG2-CG 4.42Å; I42-I203 HydrophobicContact CB-CD1 4.35Å; I42-I203 HydrophobicContact CG1-CD1 4.11Å; I42-I203 HydrophobicContact CG1-CG1 4.43Å; I42-I203 HydrophobicContact CG2-CD1 4.07Å
43E65.2Low75.2Confident55 Ų5552.2 Ų52.226%0.25728%0.278SS..  trans-141.7117.9171.6-66.2-178131.600108P41 E45 R154 K168P41-E43 PolarHBondContact O-N 2.83Å; E43-E45 VanDerWaalsContact C-N 3.33Å; E43-E45 PolarHBondContact O-N 3.14Å; E43-R154 IonicContact OE1-NH2 2.82Å; E43-R154 IonicContact OE2-CZ 3.9Å; E43-R154 IonicContact OE2-NE 3.65Å; E43-R154 PolarHBondContact OE2-NE 2.93Å; E43-R154 IonicContact OE2-NH1 2.71Å; E43-R154 IonicContact OE2-NH2 3.69Å; E43-R154 PolarHBondContact OE2-NH2 3.23Å; E43-K168 IonicContact OE1-NZ 3.69Å; E43-K168 PolarHBondContact OE1-NZ 2.93Å
44P53.7Low75.2Confident113 Ų11352.2 Ų52.273%0.73428%0.278SS*.THydrogen-bonded Turntrans-71.7-24.9-176.227.4-34.3000113.5C46P44-C46 VanDerWaalsContact C-N 3.25Å; P44-C46 PolarHBondContact O-N 3.06Å; P44-C46 VanDerWaalsContact O-N 3.16Å
45E50Low75.4Confident177 Ų17750.2 Ų50.283%0.82727%0.265SS*.THydrogen-bonded Turntrans-75.50.3-170.5-61-176.4-172.500115.5E43E43-E45 VanDerWaalsContact C-N 3.33Å; E43-E45 PolarHBondContact O-N 3.14Å
46C51Low75.4Confident45 Ų4550.9 Ų50.930%0.30427%0.266SS..  trans-141.469.3-171.7-79.60000113.4P44 N48 T49 R154P44-C46 VanDerWaalsContact C-N 3.25Å; P44-C46 PolarHBondContact O-N 3.06Å; P44-C46 VanDerWaalsContact O-N 3.16Å; C46-N48 PolarHBondContact O-N 3.3Å; C46-T49 HydrophobicContact CB-CG2 4.14Å; C46-T49 WeakPolarHBondContact CB-OG1 3.43Å; C46-T49 PolarHBondContact O-N 3.31Å; C46-T49 PolarHBondContact O-OG1 3.09Å; C46-R154 PolarHBondContact SG-NH1 2.94Å
47P51.3Low75.3Confident81 Ų8151.6 Ų51.653%0.52627%0.27SS..THydrogen-bonded Turntrans-61.1-18.3-173.623.5-34.8000115.3
48N51.9Low75.1Confident135 Ų13555.2 Ų55.272%0.72228%0.281SS*.THydrogen-bonded Turntrans-114.122.6-176.4-66.523.5000113.8C46C46-N48 PolarHBondContact O-N 3.3Å
49T64.1Low74.5Confident34 Ų3458.6 Ų58.621%0.20932%0.316CS..  trans-101.9123.117653.40000113.9C46 R154C46-T49 HydrophobicContact CB-CG2 4.14Å; C46-T49 WeakPolarHBondContact CB-OG1 3.43Å; C46-T49 PolarHBondContact O-N 3.31Å; C46-T49 PolarHBondContact O-OG1 3.09Å; T49-R154 VanDerWaalsContact OG1-CD 3.29Å; T49-R154 WeakPolarHBondContact OG1-CD 3.32Å; T49-R154 PolarHBondContact OG1-NH1 3.32Å
50G79.5Confident74.2Confident1 Ų158.4 Ų58.41%0.0132%0.317CS..  trans-74.5164172.700000113.7I70G50-I70 CarbonylContact C-O 3.55Å; G50-I70 WeakPolarHBondContact CA-O 3.49Å
51F88.8Confident73.9Confident5 Ų555.6 Ų55.62%0.02232%0.324CS..BIsolated β-bridgetrans-122.3165.3177.270.7-82000110.8I36 V53 I70 L72 V127 L152 Q153 L170I36-F51 HydrophobicContact CD1-CE2 3.66Å; I36-F51 HydrophobicContact CD1-CZ 3.96Å; F51-V53 HydrophobicContact CE2-CG2 3.95Å; F51-I70 HydrophobicContact CD1-CB 4.22Å; F51-I70 HydrophobicContact CD1-CG2 4.27Å; F51-I70 WeakPolarHBondContact CD1-O 3.36Å; F51-I70 HydrophobicContact CE1-CB 3.82Å; F51-I70 HydrophobicContact CE1-CG2 3.46Å; F51-I70 VanDerWaalsContact CE1-CG2 3.46Å; F51-I70 HydrophobicContact CE2-CB 4.26Å; F51-I70 HydrophobicContact CE2-CD1 3.78Å; F51-I70 HydrophobicContact CE2-CG2 4.43Å; F51-I70 HydrophobicContact CZ-CB 3.86Å; F51-I70 HydrophobicContact CZ-CD1 3.86Å; F51-I70 HydrophobicContact CZ-CG1 4.5Å; F51-I70 HydrophobicContact CZ-CG2 3.57Å; F51-I70 PolarHBondContact N-O 3.44Å; F51-I70 PolarHBondContact O-N 3.17Å; F51-L72 HydrophobicContact CD1-CD1 4.24Å; F51-L72 HydrophobicContact CD1-CD2 4.2Å; F51-L72 HydrophobicContact CD1-CG 3.89Å; F51-L72 HydrophobicContact CE1-CD1 4.4Å; F51-L72 HydrophobicContact CE1-CD2 3.59Å; F51-L72 HydrophobicContact CE1-CG 3.81Å; F51-V127 HydrophobicContact CE1-CG2 4.39Å; F51-V127 HydrophobicContact CZ-CG2 4.42Å; F51-L152 HydrophobicContact CD2-CB 4.44Å; F51-L152 HydrophobicContact CD2-CD2 3.96Å; F51-L152 HydrophobicContact CE2-CD2 3.93Å; F51-Q153 CarbonylContact C-O 3.54Å; F51-Q153 WeakPolarHBondContact CA-O 3.39Å; F51-L170 HydrophobicContact CB-CD1 4.23Å
52Y91.9Very high74.1Confident20 Ų2062.9 Ų62.98%0.07834%0.342CS..EExtended strand (participates in β ladder)trans-119.7130.5-179.9-63.6-116.2000106.7S67 E69 Q153 R155 Y167Y52-S67 WeakPolarHBondContact CD1-O 3.38Å; Y52-E69 HydrophobicContact CD2-CB 4.4Å; Y52-E69 HydrophobicContact CD2-CG 4.17Å; Y52-E69 HydrophobicContact CE1-CB 4.12Å; Y52-E69 HydrophobicContact CE2-CB 3.8Å; Y52-E69 HydrophobicContact CE2-CG 3.56Å; Y52-E69 WeakPolarHBondContact CE2-OE2 3.38Å; Y52-E69 PolarHBondContact OH-OE2 3.27Å; Y52-Q153 WeakPolarHBondContact CD2-O 3.49Å; Y52-Q153 PolarHBondContact N-O 2.79Å; Y52-Q153 PolarHBondContact O-N 2.67Å; Y52-R155 HydrophobicContact CE2-CB 4.04Å; Y52-Y167 HydrophobicContact CD1-CE1 4.32Å; Y52-Y167 HydrophobicContact CD2-CE1 4.27Å; Y52-Y167 HydrophobicContact CE1-CE1 4.22Å; Y52-Y167 HydrophobicContact CE2-CE1 4.22Å; Y52-Y167 HydrophobicContact CG-CE1 4.36Å
53V93.7Very high74.8Confident0 Ų063.7 Ų63.70%034%0.343CS..EExtended strand (participates in β ladder)trans-78.9125.5164.9178.40000107.4L33 I36 F51 S67 I70 F131 I150 L152L33-V53 HydrophobicContact CD1-CG1 4.16Å; I36-V53 HydrophobicContact CD1-CG2 3.69Å; F51-V53 HydrophobicContact CE2-CG2 3.95Å; V53-S67 PolarHBondContact N-OG 3.37Å; V53-S67 PolarHBondContact O-N 2.88Å; V53-S67 PolarHBondContact O-OG 3Å; V53-I70 HydrophobicContact CG2-CD1 3.8Å; V53-F131 HydrophobicContact CB-CD2 4.49Å; V53-F131 HydrophobicContact CB-CE2 4.37Å; V53-F131 HydrophobicContact CG1-CD2 4.32Å; V53-F131 HydrophobicContact CG1-CE1 4.33Å; V53-F131 HydrophobicContact CG1-CE2 4.11Å; V53-F131 HydrophobicContact CG1-CZ 4.12Å; V53-I150 HydrophobicContact CG1-CG2 4.43Å; V53-L152 HydrophobicContact CG2-CD2 4.16Å
54V93.7Very high75.9Confident0 Ų063.2 Ų63.20%034%0.343CS..EExtended strand (participates in β ladder)trans-129.2132.5-169.7179.50000109V64 L65 R66 I150 L151 Q153V54-V64 HydrophobicContact CG1-CG1 3.26Å; V54-L65 CarbonylContact C-O 3.52Å; V54-L65 VanDerWaalsContact CA-O 3.31Å; V54-L65 WeakPolarHBondContact CA-O 3.42Å; V54-L65 WeakPolarHBondContact CG1-O 3.46Å; V54-R66 HydrophobicContact CG1-CG 4.26Å; V54-R66 HydrophobicContact CG2-CG 4.11Å; V54-I150 CarbonylContact O-C 3.3Å; V54-I150 WeakPolarHBondContact O-CA 3.47Å; V54-L151 HydrophobicContact CB-CB 4.24Å; V54-L151 HydrophobicContact CB-CD1 4.48Å; V54-L151 WeakPolarHBondContact CB-O 3.2Å; V54-L151 HydrophobicContact CG1-CD1 4.23Å; V54-L151 PolarHBondContact N-O 3.21Å; V54-L151 PolarHBondContact O-N 3.48Å; V54-Q153 HydrophobicContact CB-CG 4.21Å; V54-Q153 HydrophobicContact CG2-CB 3.95Å; V54-Q153 HydrophobicContact CG2-CG 3.76Å
55V94.3Very high77.7Confident0 Ų058.8 Ų58.80%031%0.314CS..EExtended strand (participates in β ladder)trans-127.4132.3-179.2-1700000109.8W15 L31 L65 F131 I135 L148 Q149 I150W15-V55 HydrophobicContact CH2-CG1 4.36Å; W15-V55 VanDerWaalsContact CH2-O 3.32Å; W15-V55 WeakPolarHBondContact CH2-O 3.11Å; L31-V55 HydrophobicContact CD2-CG1 4.42Å; L31-V55 HydrophobicContact CD2-CG2 4.22Å; V55-L65 HydrophobicContact CB-CB 4.37Å; V55-L65 PolarHBondContact N-O 3.27Å; V55-L65 PolarHBondContact O-N 3.14Å; V55-F131 HydrophobicContact CG2-CE1 3.9Å; V55-F131 HydrophobicContact CG2-CZ 3.83Å; V55-I135 HydrophobicContact CB-CD1 4.41Å; V55-I135 HydrophobicContact CG1-CD1 3.62Å; V55-L148 HydrophobicContact CG1-CD1 3.74Å; V55-L148 HydrophobicContact CG1-CD2 4.19Å; V55-L148 HydrophobicContact CG1-CG 4.06Å; V55-Q149 WeakPolarHBondContact CA-O 3.12Å; V55-I150 HydrophobicContact CG2-CG1 4.46Å
56R91.5Very high79.7Confident54 Ų5454.3 Ų54.320%0.20429%0.289CS..EExtended strand (participates in β ladder)trans-154161178.770.8-174.7-163.9122.9-4.3111.7W15 T60 R63 V64 Q149 L151W15-R56 VanDerWaalsContact CH2-CA 3.42Å; R56-T60 PolarHBondContact NH1-O 3.33Å; R56-R63 WeakPolarHBondContact CB-O 3.37Å; R56-V64 HydrophobicContact CB-CB 4.48Å; R56-V64 HydrophobicContact CB-CG1 4.47Å; R56-V64 HydrophobicContact CB-CG2 4.06Å; R56-Q149 HydrophobicContact CG-CB 4.11Å; R56-Q149 PolarHBondContact N-O 3.26Å; R56-Q149 VanDerWaalsContact NE-OE1 3.09Å; R56-Q149 PolarHBondContact O-N 3.44Å; R56-L151 HydrophobicContact CG-CD1 3.89Å
57M88.4Confident81.5Confident15 Ų1552.5 Ų52.57%0.07428%0.277CS..EExtended strand (participates in β ladder)trans-75.6142.8163-68.9-61.1-7200110.8W15 T60 Y137 L148 L177W15-M57 HydrophobicContact CE3-CG 3.84Å; W15-M57 HydrophobicContact CZ3-CG 3.92Å; M57-T60 WeakPolarHBondContact O-CB 3.37Å; M57-T60 PolarHBondContact O-N 3.32Å; M57-T60 VanDerWaalsContact O-N 3.07Å; M57-Y137 HydrophobicContact CE-CD2 4.06Å; M57-Y137 HydrophobicContact CE-CE2 4.41Å; M57-Y137 HydrophobicContact SD-CD2 4.27Å; M57-L148 HydrophobicContact SD-CD1 4.06Å; M57-L177 HydrophobicContact CE-CD1 4.08Å; M57-L177 HydrophobicContact SD-CD1 3.78Å
58R86.3Confident83.2Confident118 Ų11852.4 Ų52.445%0.44528%0.276SS..THydrogen-bonded Turntrans-56.2145.3171.4-173174.1180148.80.3110T60 T147 Q149R58-T60 PolarHBondContact O-N 3.11Å; R58-T147 HydrophobicContact CB-CG2 4.13Å; R58-T147 WeakPolarHBondContact CB-O 3.16Å; R58-T147 PolarHBondContact N-O 3.41Å; R58-Q149 HydrophobicContact CB-CG 4.13Å
59G78.8Confident84.8Confident73 Ų7349.5 Ų49.575%0.75326%0.258SS*.THydrogen-bonded Turntrans72-25.7-171.400000114.9A61G59-A61 PolarHBondContact O-N 3.42Å
60T75.2Confident85.8Confident48 Ų4848 Ų4829%0.29425%0.249SC..  trans-84.7110-177.4-47.70000110.8R56 M57 R58 R63R56-T60 PolarHBondContact NH1-O 3.33Å; M57-T60 WeakPolarHBondContact O-CB 3.37Å; M57-T60 PolarHBondContact O-N 3.32Å; M57-T60 VanDerWaalsContact O-N 3.07Å; R58-T60 PolarHBondContact O-N 3.11Å; T60-R63 HydrophobicContact CG2-CB 3.78Å; T60-R63 HydrophobicContact CG2-CG 4.07Å
61A69.2Low85.6Confident82 Ų8251 Ų5168%0.67827%0.267SS*.SBendtrans-93.9-26177.900000113.7G59G59-A61 PolarHBondContact O-N 3.42Å
62R70.9Confident84.5Confident223 Ų22352.4 Ų52.484%0.84228%0.275SS*.SBendtrans-82.4-21.3-175.3-66.9-174.9176.8-167.7-1114.5
63R81.2Confident82.5Confident58 Ų5857.7 Ų57.722%0.21930%0.303CS..  trans-121.4105.9-171.5-57.7179.7-175.7-175.8-7.8109.1W15 E16 E18 R56 T60W15-R63 HydrophobicContact CD2-CB 4.17Å; W15-R63 HydrophobicContact CG-CB 3.94Å; W15-R63 PolarHBondContact O-NH1 3.47Å; E16-R63 VanDerWaalsContact C-NH1 3.28Å; E16-R63 VanDerWaalsContact O-CZ 3.26Å; E16-R63 PolarHBondContact O-NH1 2.74Å; E16-R63 PolarHBondContact O-NH2 2.97Å; E18-R63 IonicContact OE1-CZ 2.78Å; E18-R63 IonicContact OE1-NE 3.8Å; E18-R63 IonicContact OE1-NH2 3.21Å; E18-R63 PolarHBondContact OE1-NH2 3.3Å; R56-R63 WeakPolarHBondContact CB-O 3.37Å; T60-R63 HydrophobicContact CG2-CB 3.78Å; T60-R63 HydrophobicContact CG2-CG 4.07Å
64V88.6Confident80.1Confident45 Ų4560.3 Ų60.327%0.27332%0.321SS..  trans-147.4117.7-168.5-177.30000108.4V54 R56 R66V54-V64 HydrophobicContact CG1-CG1 3.26Å; R56-V64 HydrophobicContact CB-CB 4.48Å; R56-V64 HydrophobicContact CB-CG1 4.47Å; R56-V64 HydrophobicContact CB-CG2 4.06Å; V64-R66 HydrophobicContact CG1-CG 4.06Å
65L91.7Very high77.2Confident21 Ų2165.8 Ų65.811%0.1136%0.356CS..EExtended strand (participates in β ladder)trans-79.8142.1166-85.3164000108.9M11 A13 W15 V54 V55 C133 I135M11-L65 HydrophobicContact CB-CD2 4.29Å; M11-L65 HydrophobicContact CE-CB 3.89Å; M11-L65 HydrophobicContact CE-CD2 3.91Å; M11-L65 HydrophobicContact CE-CG 4.41Å; A13-L65 HydrophobicContact CB-CD1 3.91Å; A13-L65 HydrophobicContact CB-CD2 3.91Å; A13-L65 HydrophobicContact CB-CG 3.87Å; W15-L65 HydrophobicContact CH2-CD1 4.47Å; W15-L65 HydrophobicContact CZ2-CB 4.16Å; W15-L65 HydrophobicContact CZ2-CD1 3.88Å; W15-L65 HydrophobicContact CZ2-CG 3.88Å; V54-L65 CarbonylContact C-O 3.52Å; V54-L65 VanDerWaalsContact CA-O 3.31Å; V54-L65 WeakPolarHBondContact CA-O 3.42Å; V54-L65 WeakPolarHBondContact CG1-O 3.46Å; V55-L65 HydrophobicContact CB-CB 4.37Å; V55-L65 PolarHBondContact N-O 3.27Å; V55-L65 PolarHBondContact O-N 3.14Å; L65-C133 HydrophobicContact CD1-CB 4.19Å; L65-I135 HydrophobicContact CD1-CD1 3.99Å; L65-I135 HydrophobicContact CD1-CG1 3.58Å
66R91Very high74.2Confident83 Ų8377 Ų7731%0.31340%0.399SS..EExtended strand (participates in β ladder)trans-138.9130.4179.2-61.6179.2168.4-80.1-8.8108.9V54 V64 Q153V54-R66 HydrophobicContact CG1-CG 4.26Å; V54-R66 HydrophobicContact CG2-CG 4.11Å; V64-R66 HydrophobicContact CG1-CG 4.06Å; R66-Q153 VanDerWaalsContact CZ-OE1 3.26Å
67S90.3Very high71.3Confident6 Ų678.9 Ų78.94%0.04243%0.426CS..  trans-66.2166.3169.470.10000111.6Y52 V53Y52-S67 WeakPolarHBondContact CD1-O 3.38Å; V53-S67 PolarHBondContact N-OG 3.37Å; V53-S67 PolarHBondContact O-N 2.88Å; V53-S67 PolarHBondContact O-OG 3Å
68P85.9Confident68.4Low79 Ų7983.6 Ų83.651%0.51346%0.46SS..  trans-45.2160.1148.4-28.435.4000113.7M9 I70M9-P68 HydrophobicContact CG-CG 4.39Å; M9-P68 HydrophobicContact SD-CB 4.29Å; M9-P68 HydrophobicContact SD-CG 4.07Å; P68-I70 PolarHBondContact O-N 2.83Å
69E86.2Confident65.6Low74 Ų7486.4 Ų86.435%0.34648%0.478SS..  trans-76.5114.9176.1-171.1169.1150.700110.5Y52Y52-E69 HydrophobicContact CD2-CB 4.4Å; Y52-E69 HydrophobicContact CD2-CG 4.17Å; Y52-E69 HydrophobicContact CE1-CB 4.12Å; Y52-E69 HydrophobicContact CE2-CB 3.8Å; Y52-E69 HydrophobicContact CE2-CG 3.56Å; Y52-E69 WeakPolarHBondContact CE2-OE2 3.38Å; Y52-E69 PolarHBondContact OH-OE2 3.27Å
70I85.2Confident63.2Low3 Ų388.2 Ų88.22%0.01548%0.477CS..BIsolated β-bridgetrans-86.3114.6176.1-61167.2000108.1I7 M9 G50 F51 V53 P68 V127 I129I7-I70 HydrophobicContact CD1-CB 4.44Å; I7-I70 HydrophobicContact CD1-CG1 4.3Å; I7-I70 HydrophobicContact CD1-CG2 3.77Å; M9-I70 HydrophobicContact CE-CD1 3.92Å; M9-I70 HydrophobicContact CE-CG1 4.26Å; G50-I70 CarbonylContact C-O 3.55Å; G50-I70 WeakPolarHBondContact CA-O 3.49Å; F51-I70 HydrophobicContact CD1-CB 4.22Å; F51-I70 HydrophobicContact CD1-CG2 4.27Å; F51-I70 WeakPolarHBondContact CD1-O 3.36Å; F51-I70 HydrophobicContact CE1-CB 3.82Å; F51-I70 HydrophobicContact CE1-CG2 3.46Å; F51-I70 VanDerWaalsContact CE1-CG2 3.46Å; F51-I70 HydrophobicContact CE2-CB 4.26Å; F51-I70 HydrophobicContact CE2-CD1 3.78Å; F51-I70 HydrophobicContact CE2-CG2 4.43Å; F51-I70 HydrophobicContact CZ-CB 3.86Å; F51-I70 HydrophobicContact CZ-CD1 3.86Å; F51-I70 HydrophobicContact CZ-CG1 4.5Å; F51-I70 HydrophobicContact CZ-CG2 3.57Å; F51-I70 PolarHBondContact N-O 3.44Å; F51-I70 PolarHBondContact O-N 3.17Å; V53-I70 HydrophobicContact CG2-CD1 3.8Å; P68-I70 PolarHBondContact O-N 2.83Å; I70-V127 HydrophobicContact CG2-CG1 3.98Å; I70-I129 HydrophobicContact CD1-CG2 4.07Å
71T75.3Confident61.1Low64 Ų6495.2 Ų95.239%0.39351%0.506SS..  trans-84.5120.1177.3-56.90000110.3I73T71-I73 HydrophobicContact CG2-CG1 4.5Å; T71-I73 PolarHBondContact O-N 3.25Å
72L65.7Low59.2Low35 Ų3598.1 Ų98.118%0.18351%0.511CS..  trans-72.4122.8165.2-65.9177.4000108.9L38 F51 V125 V127L38-L72 HydrophobicContact CD1-CD1 4.36Å; F51-L72 HydrophobicContact CD1-CD1 4.24Å; F51-L72 HydrophobicContact CD1-CD2 4.2Å; F51-L72 HydrophobicContact CD1-CG 3.89Å; F51-L72 HydrophobicContact CE1-CD1 4.4Å; F51-L72 HydrophobicContact CE1-CD2 3.59Å; F51-L72 HydrophobicContact CE1-CG 3.81Å; L72-V125 HydrophobicContact CD2-CG1 3.89Å; L72-V127 HydrophobicContact CD2-CG2 3.35Å
73I48.8Very low57.5Low131 Ų13191.2 Ų91.267%0.67251%0.509SS*.  trans-103.290.7166.7-56.2177.5000106.3T71 P75T71-I73 HydrophobicContact CG2-CG1 4.5Å; T71-I73 PolarHBondContact O-N 3.25Å; I73-P75 WeakPolarHBondContact O-CD 3.44Å
74C43Very low55.3Low54 Ų5494.5 Ų94.537%0.36554%0.535SS..PPolyproline II helixtrans-67.9128.6168.5-67.60000108.7R76C74-R76 PolarHBondContact O-N 3.2Å
75P33.8Very low52.6Low116 Ų11697 Ų9775%0.75356%0.56SS**PPolyproline II helixtrans-57.8124.6166.9-20.732.6000108.8I73 A77I73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-A77 PolarHBondContact O-N 2.78Å
76R30.5Very low49.7Very low235 Ų235101.6 Ų101.689%0.88759%0.585SS**PPolyproline II helixtrans-67.2118.7166.4-105.1-174.2171.1129.9-5.5107.3C74 S78C74-R76 PolarHBondContact O-N 3.2Å; R76-S78 PolarHBondContact O-N 3.07Å
77A31.7Very low46.8Very low94 Ų94107.4 Ų107.478%0.77761%0.613SS**PPolyproline II helixtrans-57.6125.1160.300000108P75 Q79P75-A77 PolarHBondContact O-N 2.78Å; A77-Q79 PolarHBondContact O-N 2.92Å
78S26.4Very low43.9Very low114 Ų114114 Ų11480%0.79764%0.643SS**  trans-68.1109.9175.648.40000109.2R76R76-S78 PolarHBondContact O-N 3.07Å
79Q27.6Very low41.2Very low176 Ų176114.4 Ų114.482%0.82265%0.647SS**  trans-60.9135165.7-72.4-179-83.300108.9A77 Q81A77-Q79 PolarHBondContact O-N 2.92Å; Q79-Q81 PolarHBondContact O-N 3.1Å
80P28.8Very low38.6Very low112 Ų112118 Ų11873%0.72767%0.669SS**  trans-67115.316927.9-32.3000109.1N82P80-N82 PolarHBondContact O-N 2.79Å; P80-N82 VanDerWaalsContact O-N 3.1Å
81Q31.5Very low36Very low194 Ų194124 Ų12491%0.90770%0.701SS**  trans-78.886.3170.4-75.7-171-38.300109.7Q79 G83Q79-Q81 PolarHBondContact O-N 3.1Å; Q81-G83 PolarHBondContact O-N 3.33Å
82N29.7Very low34Very low144 Ų144126.2 Ų126.277%0.7771%0.714SS**  trans-71105.8167-78.80.6000109.7P80P80-N82 PolarHBondContact O-N 2.79Å; P80-N82 VanDerWaalsContact O-N 3.1Å
83G33.9Very low32.3Very low78 Ų78131.4 Ų131.480%0.80474%0.737SS**  trans-74.7150.7162.700000111.3Q81Q81-G83 PolarHBondContact O-N 3.33Å
84V35.3Very low31.5Very low127 Ų127133.4 Ų133.477%0.7774%0.744SS**  trans-127.6126-168177.80000112.1
85A33.3Very low30.8Very low96 Ų96137.6 Ų137.679%0.79376%0.762SS**  trans-168.4125148.500000107.5
86N29.2Very low31.1Very low119 Ų119137 Ų13764%0.63676%0.758SS**  cis78.582.244.6-79.519.9000116.7H88N86-H88 PolarHBondContact O-ND1 3.21Å
87F30.8Very low31Very low205 Ų205131.5 Ų131.590%0.89975%0.751SS**  trans-102.9125.1134.3-65.8-88.7000106.2
88H28.8Very low31.1Very low145 Ų145134.9 Ų134.967%0.67175%0.751SS**  cis66124.743.4-61.1111.9000112.8N86N86-H88 PolarHBondContact O-ND1 3.21Å
89S30.7Very low31.4Very low86 Ų86136.7 Ų136.760%0.60175%0.75SS**  cis-170.5170.7-5.2-142.10000112.9
90N31.2Very low31.5Very low149 Ų149131.8 Ų131.880%0.79775%0.746SS**  trans73.5151.4147.8-64.50.3000118.7
91N30.2Very low31.5Very low130 Ų130133.2 Ų133.270%0.69576%0.757SS**  cis-168.4154.8-15.2-178.532.6000107.5
92V33.1Very low31.5Very low110 Ų110127.7 Ų127.767%0.66775%0.753SS**  167.7148103.7156.90000109.4
93Q29.2Very low31.6Very low144 Ų144128.6 Ų128.667%0.67376%0.758SS**  trans9.1140.1163.9-90.572.5-13.100120.3
94H33.4Very low31.5Very low174 Ų174129.2 Ų129.281%0.80675%0.75SS**  -160.4164.354.8-120-75.4000114.7
95N28.7Very low31.3Very low141 Ų141130 Ų13075%0.75476%0.755SS**  trans-143.3170.1155.7-131.2-6.9000105.8
96P38.5Very low31.2Very low103 Ų103128.9 Ų128.967%0.66975%0.753SS**  cis-145.7-175.332.646.7-27.2000117.4
97T28.9Very low31.3Very low121 Ų121133 Ų13374%0.74277%0.768SS**  trans49117150-42.90000121.2
98E33.1Very low31.3Very low165 Ų165127.1 Ų127.177%0.77177%0.766SS**  -172.1140.9108.8-99.6-166.9177.100115
99I33.6Very low31.2Very low152 Ų152123.8 Ų123.878%0.77977%0.771SS**  trans40.2122.4142.5-54.2167.7000120.6
100G29.3Very low31Very low72 Ų72125.3 Ų125.374%0.74278%0.78SS**  trans168.4111.2158.600000114.5
101C29.7Very low31.2Very low142 Ų142124.5 Ų124.596%0.95978%0.783SS**  trans-123.3150.2178.6-56.70000110.7
102G31.9Very low31.2Very low79 Ų79126.5 Ų126.581%0.81479%0.793SS**  trans161.5105.8167.700000118.2
103D30.8Very low30.9Very low162 Ų162126.9 Ų126.987%0.86680%0.8SS**  trans-50.1164.7153.3-73.6-53.1000114.5
104S32.8Very low30.8Very low92 Ų92127.8 Ų127.864%0.64381%0.809SS**  cis-173.4167.4-8.751.40000112.7
105T31.1Very low30.4Very low142 Ų142126.7 Ų126.787%0.87181%0.809SS**  trans59.9133.6158.155.50000121.3
106G31Very low30.2Very low73 Ų73125.8 Ų125.875%0.75381%0.809SS**  trans-175.217.9177.100000123.1
107Q30.3Very low29.5Very low205 Ų205129.3 Ų129.396%0.95882%0.821SS**  trans61.1161.7174.3-60.6-172.9-0.800118.4
108G31.7Very low29.4Very low83 Ų83127.2 Ų127.286%0.85682%0.823SS**  trans90118175.500000114.5
109G26.4Very low29.1Very low75 Ų75124.7 Ų124.777%0.77382%0.824SS**  cis142.321.6-3.600000116.6
110C27.4Very low28.9Very low118 Ų118125.3 Ų125.380%0.79783%0.828SS**  trans-166.7127.9165.7-95.30000109.5
111P34.4Very low29.1Very low132 Ų132128.3 Ų128.386%0.85783%0.832SS**PPolyproline II helixtrans-73.8135.8167.130.9-32.1000110.1
112L31.3Very low29.4Very low172 Ų172124 Ų12490%0.90181%0.811SS**PPolyproline II helixtrans-70.8143.5-178.5-72168.1000112.3L114L112-L114 PolarHBondContact O-N 3.43Å
113S25.1Very low30Very low117 Ų117123.1 Ų123.182%0.81880%0.802SS**PPolyproline II helixtrans-60124.2174.9-53.60000112
114L28.5Very low31.4Very low163 Ų163117.6 Ų117.685%0.85378%0.783SS**  trans-125.376.5163.2-163.170.8000111L112 T116L112-L114 PolarHBondContact O-N 3.43Å; L114-T116 PolarHBondContact O-N 2.75Å
115N23.5Very low33.4Very low152 Ų152114.4 Ų114.481%0.81376%0.76SS**  trans-66.7112.5157.3-82.5-23.6000108.3
116T25.5Very low35.8Very low122 Ų122109.6 Ų109.675%0.74873%0.732SS**  trans162.2146.1142.8-740000111.5L114L114-T116 PolarHBondContact O-N 2.75Å
117L24.4Very low38.4Very low176 Ų176106.6 Ų106.692%0.92170%0.699SS**  trans67.7104170.7-118.367.6000118.1
118G26.8Very low41Very low77 Ų77100.7 Ų100.779%0.79467%0.674SS**  trans-164.318170.600000114.6L120G118-L120 PolarHBondContact O-N 3.33Å
119S25.4Very low43.7Very low113 Ų11396.7 Ų96.779%0.7963%0.633SS**  trans-7695.9-176.1-170.90000111.3
120L30.8Very low46.6Very low164 Ų16495.5 Ų95.586%0.85961%0.609SS**  trans-11979.7168.4-160.778.2000109.4G118 G122G118-L120 PolarHBondContact O-N 3.33Å; L120-G122 PolarHBondContact O-N 3.13Å
121V33.6Very low49.6Very low136 Ų13689.9 Ų89.982%0.82457%0.571SS**  trans-63.696.2174.3179.90000108.6G123V121-G123 PolarHBondContact O-N 2.91Å
122G36Very low52.4Low50 Ų5084.2 Ų84.252%0.51553%0.534SS..  trans-62.5129.4-172.300000112.4L120 G124L120-G122 PolarHBondContact O-N 3.13Å; G122-G124 PolarHBondContact O-N 3.48Å
123G43.3Very low55.3Low61 Ų6176 Ų7663%0.62949%0.491SS*.  trans-6596.1-179.700000112.7V121V121-G123 PolarHBondContact O-N 2.91Å
124G60.2Low58.5Low46 Ų4673.1 Ų73.147%0.47447%0.466SS..  trans-64.9148.2167.200000111.6L38 G122L38-G124 CarbonylContact O-C 3.45Å; L38-G124 WeakPolarHBondContact O-CA 3.15Å; G122-G124 PolarHBondContact O-N 3.48Å
125V75.4Confident61.5Low25 Ų2565.4 Ų65.415%0.15243%0.426CS..EExtended strand (participates in β ladder)trans-114.3123.3-174.7-172.50000110.1L38 L72L38-V125 PolarHBondContact N-O 2.89Å; L38-V125 PolarHBondContact O-N 2.99Å; L72-V125 HydrophobicContact CD2-CG1 3.89Å
126S82Confident64.7Low42 Ų4260.1 Ų60.129%0.29440%0.396SS..EExtended strand (participates in β ladder)trans-105.5139.7175.9179.50000110.9Q35 I36Q35-S126 PolarHBondContact NE2-OG 3.01Å; I36-S126 CarbonylContact O-C 3.49Å; I36-S126 WeakPolarHBondContact O-CA 3.47Å
127V85.4Confident67.7Low9 Ų954.4 Ų54.46%0.05536%0.361CS..EExtended strand (participates in β ladder)trans-132.2123177.2-169.30000109.3Q35 I36 F51 I70 L72 I129Q35-V127 WeakPolarHBondContact CA-O 3.35Å; I36-V127 PolarHBondContact N-O 3.34Å; I36-V127 PolarHBondContact O-N 3.33Å; F51-V127 HydrophobicContact CE1-CG2 4.39Å; F51-V127 HydrophobicContact CZ-CG2 4.42Å; I70-V127 HydrophobicContact CG2-CG1 3.98Å; L72-V127 HydrophobicContact CD2-CG2 3.35Å; V127-I129 HydrophobicContact CG1-CG2 4.08Å
128L84.6Confident70.7Confident81 Ų8147 Ų4742%0.42432%0.324SS..EExtended strand (participates in β ladder)trans-84131.5169.6-66.1171.7000110.2M6 I7 Q35M6-L128 HydrophobicContact CG-CB 4.49Å; I7-L128 PolarHBondContact N-O 3.26Å; Q35-L128 HydrophobicContact CB-CD2 4.32Å; Q35-L128 HydrophobicContact CG-CD2 4.06Å
129I88.4Confident73.6Confident0 Ų044 Ų440%029%0.289CS..EExtended strand (participates in β ladder)trans-135.8155.4-179.657171.9000108.8M9 L33 V34 I36 I70 V127 F131M9-I129 HydrophobicContact CE-CB 4.34Å; M9-I129 HydrophobicContact CE-CG2 4.23Å; L33-I129 HydrophobicContact CB-CD1 3.87Å; V34-I129 CarbonylContact C-O 3.51Å; V34-I129 VanDerWaalsContact C-O 3.3Å; V34-I129 WeakPolarHBondContact CA-O 3.49Å; V34-I129 PolarHBondContact O-N 3.32Å; I36-I129 HydrophobicContact CD1-CD1 3.86Å; I36-I129 HydrophobicContact CG1-CD1 3.97Å; I70-I129 HydrophobicContact CD1-CG2 4.07Å; V127-I129 HydrophobicContact CG1-CG2 4.08Å; I129-F131 HydrophobicContact CD1-CB 4.11Å
130D86.8Confident76.6Confident49 Ų4941.9 Ų41.926%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-123.778.5162.2161.141000107M6 I7 S8 M9M6-D130 HydrophobicContact CE-CB 4.01Å; M6-D130 HydrophobicContact CG-CB 4.28Å; M6-D130 HydrophobicContact SD-CB 4.04Å; I7-D130 PolarHBondContact O-N 3.45Å; S8-D130 CarbonylContact C-O 3.51Å; S8-D130 WeakPolarHBondContact CA-O 3.22Å; S8-D130 WeakPolarHBondContact CB-OD2 3.47Å; S8-D130 PolarHBondContact OG-OD2 2.99Å; M9-D130 PolarHBondContact N-O 3.08Å
131F91Very high78.9Confident0 Ų039.7 Ų39.70%025%0.254CS..EExtended strand (participates in β ladder)trans-97.1105.7-179176.2-85.2000109M9 M11 L31 S32 L33 V53 V55 I129 C133M9-F131 HydrophobicContact CB-CD2 4.43Å; M9-F131 HydrophobicContact CE-CB 4.46Å; M9-F131 HydrophobicContact CE-CD2 4.47Å; M11-F131 HydrophobicContact CE-CD2 4.5Å; M11-F131 HydrophobicContact CE-CE2 3.34Å; M11-F131 HydrophobicContact CE-CZ 3.57Å; M11-F131 HydrophobicContact CG-CE2 4.35Å; M11-F131 HydrophobicContact SD-CE2 3.92Å; L31-F131 HydrophobicContact CD2-CE1 4.43Å; S32-F131 CarbonylContact C-O 3.58Å; S32-F131 VanDerWaalsContact CA-O 3.3Å; S32-F131 WeakPolarHBondContact CA-O 3.2Å; L33-F131 HydrophobicContact CB-CB 4.24Å; L33-F131 HydrophobicContact CB-CD1 4.44Å; L33-F131 HydrophobicContact CD1-CB 4.48Å; L33-F131 HydrophobicContact CD1-CD1 3.52Å; L33-F131 HydrophobicContact CD1-CE1 4.04Å; L33-F131 HydrophobicContact CD1-CG 4.24Å; L33-F131 HydrophobicContact CG-CD1 3.96Å; L33-F131 PolarHBondContact N-O 2.74Å; L33-F131 PolarHBondContact O-N 3.07Å; L33-F131 VanDerWaalsContact O-N 3.07Å; V53-F131 HydrophobicContact CB-CD2 4.49Å; V53-F131 HydrophobicContact CB-CE2 4.37Å; V53-F131 HydrophobicContact CG1-CD2 4.32Å; V53-F131 HydrophobicContact CG1-CE1 4.33Å; V53-F131 HydrophobicContact CG1-CE2 4.11Å; V53-F131 HydrophobicContact CG1-CZ 4.12Å; V55-F131 HydrophobicContact CG2-CE1 3.9Å; V55-F131 HydrophobicContact CG2-CZ 3.83Å; I129-F131 HydrophobicContact CD1-CB 4.11Å; F131-C133 HydrophobicContact CE1-CB 3.84Å; F131-C133 HydrophobicContact CZ-CB 4Å
132T91.7Very high80.9Confident14 Ų1437.1 Ų37.19%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-102134.1166.9-9.10000109.9M9 M11 L31 Y210M9-T132 PolarHBondContact O-N 3.17Å; M11-T132 PolarHBondContact N-O 2.81Å; L31-T132 CarbonylContact O-C 3.6Å; L31-T132 WeakPolarHBondContact O-CA 3.37Å; T132-Y210 WeakPolarHBondContact CG2-OH 3.23Å
133C92.1Very high82Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-138135165.882.20000114.6M11 L31 L65 F131M11-C133 HydrophobicContact CB-CB 4.14Å; M11-C133 VanDerWaalsContact O-CA 3.29Å; M11-C133 WeakPolarHBondContact O-CA 3.27Å; L31-C133 PolarHBondContact N-O 3.14Å; L31-C133 PolarHBondContact O-N 2.97Å; L65-C133 HydrophobicContact CD1-CB 4.19Å; F131-C133 HydrophobicContact CE1-CB 3.84Å; F131-C133 HydrophobicContact CZ-CB 4Å
134N92.3Very high83.3Confident56 Ų5648.7 Ų48.730%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-105.8128.8174.2-714.8000109.9M11 S12 A13 L28M11-N134 PolarHBondContact O-N 2.97Å; S12-N134 CarbonylContact C-O 3.6Å; S12-N134 VanDerWaalsContact CA-O 3.28Å; S12-N134 WeakPolarHBondContact CA-O 3.46Å; A13-N134 PolarHBondContact N-O 2.91Å; L28-N134 HydrophobicContact CD1-CB 4.32Å
135I91.5Very high84Confident0 Ų048.4 Ų48.40%025%0.25CC..EExtended strand (participates in β ladder)trans-130.8104.7-172.7-64.2164.7000108.5A13 W15 C29 V55 L65 L148A13-I135 WeakPolarHBondContact O-CA 3.42Å; W15-I135 HydrophobicContact CD2-CG2 3.75Å; W15-I135 HydrophobicContact CE3-CG2 3.32Å; W15-I135 HydrophobicContact CG-CG2 4.42Å; W15-I135 HydrophobicContact CH2-CD1 3.59Å; W15-I135 HydrophobicContact CH2-CG1 4.05Å; W15-I135 HydrophobicContact CH2-CG2 3.99Å; W15-I135 HydrophobicContact CZ2-CD1 4.28Å; W15-I135 HydrophobicContact CZ2-CG1 4.33Å; W15-I135 HydrophobicContact CZ2-CG2 4.39Å; W15-I135 HydrophobicContact CZ3-CD1 3.93Å; W15-I135 HydrophobicContact CZ3-CG1 4.34Å; W15-I135 HydrophobicContact CZ3-CG2 3.46Å; W15-I135 VanDerWaalsContact CZ3-CG2 3.46Å; C29-I135 HydrophobicContact CB-CB 4.16Å; C29-I135 WeakPolarHBondContact CB-O 3.48Å; C29-I135 PolarHBondContact N-O 2.82Å; C29-I135 PolarHBondContact O-N 3.09Å; V55-I135 HydrophobicContact CB-CD1 4.41Å; V55-I135 HydrophobicContact CG1-CD1 3.62Å; L65-I135 HydrophobicContact CD1-CD1 3.99Å; L65-I135 HydrophobicContact CD1-CG1 3.58Å; I135-L148 HydrophobicContact CD1-CD1 4.23Å
136Q90.7Very high84.6Confident41 Ų4147.3 Ų47.319%0.19224%0.243CC..EExtended strand (participates in β ladder)trans-72127.2163.1168.1179.223.600108.5A13 S14 W15 E16 R27 L28 I216A13-Q136 PolarHBondContact O-N 2.85Å; A13-Q136 VanDerWaalsContact O-N 3.12Å; S14-Q136 VanDerWaalsContact OG-CD 3.25Å; S14-Q136 PolarHBondContact OG-OE1 3.48Å; W15-Q136 CarbonylContact C-O 3.55Å; W15-Q136 WeakPolarHBondContact CA-O 3.49Å; W15-Q136 WeakPolarHBondContact CB-O 3.48Å; W15-Q136 PolarHBondContact N-O 2.82Å; E16-Q136 HydrophobicContact CG-CG 4.1Å; E16-Q136 VanDerWaalsContact CG-NE2 3.32Å; E16-Q136 PolarHBondContact OE1-NE2 2.99Å; R27-Q136 CarbonylContact O-C 3.56Å; R27-Q136 WeakPolarHBondContact O-CA 2.92Å; L28-Q136 HydrophobicContact CD1-CB 4.49Å; Q136-I216 HydrophobicContact CB-CD1 4.07Å; Q136-I216 HydrophobicContact CG-CD1 3.53Å
137Y88.8Confident85.1Confident3 Ų346 Ų461%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-144.1163.5-17976.9-71000111.1R27 C29 M57 H139 L177 S213R27-Y137 HydrophobicContact CB-CD1 4.14Å; R27-Y137 HydrophobicContact CB-CE1 3.51Å; R27-Y137 PolarHBondContact N-O 3.21Å; R27-Y137 VanDerWaalsContact O-CD1 3.25Å; R27-Y137 WeakPolarHBondContact O-CD1 3.25Å; R27-Y137 PolarHBondContact O-N 3.49Å; R27-Y137 VanDerWaalsContact O-O 3.1Å; C29-Y137 HydrophobicContact CB-CD1 3.72Å; C29-Y137 HydrophobicContact CB-CE1 3.61Å; M57-Y137 HydrophobicContact CE-CD2 4.06Å; M57-Y137 HydrophobicContact CE-CE2 4.41Å; M57-Y137 HydrophobicContact SD-CD2 4.27Å; Y137-H139 HydrophobicContact CD2-CB 4.38Å; Y137-H139 HydrophobicContact CE2-CB 3.55Å; Y137-H139 AromaticContact CE2-CG 3.98Å; Y137-H139 AromaticContact CE2-ND1 3.59Å; Y137-H139 AromaticContact CZ-ND1 3.87Å; Y137-H139 PolarHBondContact OH-ND1 3.01Å; Y137-L177 HydrophobicContact CD2-CD1 4.14Å; Y137-L177 HydrophobicContact CE1-CD1 4.12Å; Y137-L177 HydrophobicContact CE2-CD1 3.59Å; Y137-S213 PolarHBondContact OH-OG 3.21Å
138S87.3Confident85.5Confident20 Ų2045.6 Ų45.614%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-95.8118.1170.7-56.30000109.2A17A17-S138 VanDerWaalsContact CB-OG 3.25Å; A17-S138 WeakPolarHBondContact CB-OG 3.17Å; A17-S138 PolarHBondContact N-OG 3.21Å; A17-S138 VanDerWaalsContact N-OG 3.14Å
139H89Confident85.9Confident14 Ų1442 Ų427%0.06521%0.212CC..EExtended strand (participates in β ladder)trans-90.1114.6176.3-169.577.4000109.3A24 I25 R27 Y137 N146 L181A24-H139 WeakPolarHBondContact CA-O 3.06Å; I25-H139 PolarHBondContact N-O 2.94Å; I25-H139 PolarHBondContact O-N 3.07Å; R27-H139 HydrophobicContact CB-CB 4.48Å; R27-H139 HydrophobicContact CG-CB 4.29Å; Y137-H139 HydrophobicContact CD2-CB 4.38Å; Y137-H139 HydrophobicContact CE2-CB 3.55Å; Y137-H139 AromaticContact CE2-CG 3.98Å; Y137-H139 AromaticContact CE2-ND1 3.59Å; Y137-H139 AromaticContact CZ-ND1 3.87Å; Y137-H139 PolarHBondContact OH-ND1 3.01Å; H139-N146 WeakPolarHBondContact CA-OD1 3.46Å; H139-N146 PolarHBondContact CE1-OD1 2.91Å; H139-N146 VanDerWaalsContact ND1-CG 3.26Å; H139-N146 PolarHBondContact ND1-OD1 3.3Å; H139-L181 WeakPolarHBondContact NE2-CD1 3.21Å
140F87.1Confident86.2Confident68 Ų6842 Ų4230%0.29821%0.212SC..EExtended strand (participates in β ladder)trans-82.6155.5-177.9-63-91.6000110.9A17 N23 A24 T142 S145 N146A17-F140 HydrophobicContact CB-CZ 4.44Å; N23-F140 CarbonylContact O-C 3.48Å; N23-F140 VanDerWaalsContact O-CA 3.23Å; N23-F140 WeakPolarHBondContact O-CA 3.5Å; A24-F140 HydrophobicContact CB-CD1 3.64Å; A24-F140 HydrophobicContact CB-CE1 3.69Å; A24-F140 HydrophobicContact CB-CG 4.29Å; A24-F140 HydrophobicContact CB-CZ 4.37Å; F140-T142 PolarHBondContact O-N 3.38Å; F140-S145 WeakPolarHBondContact CB-OG 3.26Å; F140-N146 PolarHBondContact N-OD1 2.95Å; F140-N146 PolarHBondContact O-ND2 3.24Å
141L80.8Confident86.6Confident118 Ų11839.7 Ų39.762%0.61820%0.199SC*.SBendtrans-74.7-8.8175.2-62.6175.9000113.5N23 I25N23-L141 PolarHBondContact O-N 2.98Å; I25-L141 HydrophobicContact CD1-CD2 4.31Å
142T74.3Confident86.7Confident82 Ų8239.8 Ų39.850%0.50320%0.2SC..SBendtrans-82.1128.1175.156.20000111.2F140 D144 S145 N146F140-T142 PolarHBondContact O-N 3.38Å; T142-D144 VanDerWaalsContact C-N 3.35Å; T142-D144 PolarHBondContact O-N 3.1Å; T142-S145 PolarHBondContact O-OG 3.21Å; T142-S145 PolarHBondContact OG1-OG 3.29Å; T142-N146 PolarHBondContact O-ND2 2.94Å
143R59.9Low86.8Confident215 Ų21540 Ų4081%0.81120%0.2SC*.G310 helixtrans-57.3-42-171.7-76.2-176.7169.5179.4-3.3113.8S145R143-S145 PolarHBondContact O-N 2.93Å
144D69.3Low86.5Confident139 Ų13942.3 Ų42.374%0.74321%0.208SC*.G310 helixtrans-81.2-19.8-165.5-48.5-34.3000114.5T142T142-D144 VanDerWaalsContact C-N 3.35Å; T142-D144 PolarHBondContact O-N 3.1Å
145S75Confident86.1Confident41 Ų4144.5 Ų44.529%0.28721%0.213SC..G310 helixtrans-78.5-21.6-174.660.90000113.3F140 T142 R143 T147F140-S145 WeakPolarHBondContact CB-OG 3.26Å; T142-S145 PolarHBondContact O-OG 3.21Å; T142-S145 PolarHBondContact OG1-OG 3.29Å; R143-S145 PolarHBondContact O-N 2.93Å; S145-T147 VanDerWaalsContact C-N 3.27Å; S145-T147 PolarHBondContact O-N 2.87Å; S145-T147 VanDerWaalsContact O-N 3.16Å
146N89.8Confident85.6Confident1 Ų148.5 Ų48.51%0.00523%0.23CC..  trans-87.328.9-171.5-66.3-66.6000114.8H139 F140 T142 L177H139-N146 WeakPolarHBondContact CA-OD1 3.46Å; H139-N146 PolarHBondContact CE1-OD1 2.91Å; H139-N146 VanDerWaalsContact ND1-CG 3.26Å; H139-N146 PolarHBondContact ND1-OD1 3.3Å; F140-N146 PolarHBondContact N-OD1 2.95Å; F140-N146 PolarHBondContact O-ND2 3.24Å; T142-N146 PolarHBondContact O-ND2 2.94Å; N146-L177 HydrophobicContact CB-CB 4.48Å; N146-L177 VanDerWaalsContact O-CB 3.3Å; N146-L177 WeakPolarHBondContact O-CB 3.46Å; N146-L177 PolarHBondContact O-N 2.86Å
147T91.7Very high84.4Confident16 Ų1654.6 Ų54.610%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-84.5118.4177.5-56.20000110.7R58 S145 Q149 N174 V175R58-T147 HydrophobicContact CB-CG2 4.13Å; R58-T147 WeakPolarHBondContact CB-O 3.16Å; R58-T147 PolarHBondContact N-O 3.41Å; S145-T147 VanDerWaalsContact C-N 3.27Å; S145-T147 PolarHBondContact O-N 2.87Å; S145-T147 VanDerWaalsContact O-N 3.16Å; T147-Q149 HydrophobicContact CG2-CG 4.39Å; T147-N174 HydrophobicContact CG2-CB 4.01Å; T147-V175 CarbonylContact C-O 3.55Å; T147-V175 WeakPolarHBondContact CA-O 3.33Å
148L93.5Very high82.9Confident0 Ų061.1 Ų61.10%028%0.281CS..EExtended strand (participates in β ladder)trans-76137.3161.7-168.170.7000108.7W15 L31 V55 M57 I135 V175 L177 L211W15-L148 HydrophobicContact CZ3-CD1 4.41Å; L31-L148 HydrophobicContact CD2-CD2 4.43Å; V55-L148 HydrophobicContact CG1-CD1 3.74Å; V55-L148 HydrophobicContact CG1-CD2 4.19Å; V55-L148 HydrophobicContact CG1-CG 4.06Å; M57-L148 HydrophobicContact SD-CD1 4.06Å; I135-L148 HydrophobicContact CD1-CD1 4.23Å; L148-V175 PolarHBondContact N-O 3.06Å; L148-V175 PolarHBondContact O-N 3.29Å; L148-L177 HydrophobicContact CB-CD1 4.14Å; L148-L177 HydrophobicContact CB-CD2 3.95Å; L148-L177 HydrophobicContact CB-CG 3.93Å; L148-L177 HydrophobicContact CD2-CD2 4.3Å; L148-L211 HydrophobicContact CD2-CD1 4.33Å; L148-L211 HydrophobicContact CD2-CD2 4.34Å
149Q93.4Very high81.3Confident5 Ų570.1 Ų70.12%0.02332%0.318CS..EExtended strand (participates in β ladder)trans-114.3122.9170.2-59.4-159.6-59.600109.4V55 R56 R58 T147 L151 C173 N174V55-Q149 WeakPolarHBondContact CA-O 3.12Å; R56-Q149 HydrophobicContact CG-CB 4.11Å; R56-Q149 PolarHBondContact N-O 3.26Å; R56-Q149 VanDerWaalsContact NE-OE1 3.09Å; R56-Q149 PolarHBondContact O-N 3.44Å; R58-Q149 HydrophobicContact CB-CG 4.13Å; T147-Q149 HydrophobicContact CG2-CG 4.39Å; Q149-L151 HydrophobicContact CB-CD1 3.76Å; Q149-L151 HydrophobicContact CB-CG 4.33Å; Q149-L151 WeakPolarHBondContact O-CD1 3.14Å; Q149-C173 WeakPolarHBondContact CA-O 3.24Å; Q149-N174 WeakPolarHBondContact CG-OD1 3.44Å; Q149-N174 PolarHBondContact NE2-OD1 3.2Å
150I95.4Very high79.5Confident0 Ų075.2 Ų75.20%036%0.355CS..EExtended strand (participates in β ladder)trans-98.1131.7163.3-55.9167.7000105.9L31 L33 V53 V54 V55 C173 I206L31-I150 HydrophobicContact CD1-CD1 4.3Å; L31-I150 HydrophobicContact CD2-CD1 3.81Å; L31-I150 HydrophobicContact CD2-CG1 4.12Å; L33-I150 HydrophobicContact CD2-CD1 4.37Å; V53-I150 HydrophobicContact CG1-CG2 4.43Å; V54-I150 CarbonylContact O-C 3.3Å; V54-I150 WeakPolarHBondContact O-CA 3.47Å; V55-I150 HydrophobicContact CG2-CG1 4.46Å; I150-C173 HydrophobicContact CB-CB 4.28Å; I150-C173 PolarHBondContact N-O 2.9Å; I150-C173 PolarHBondContact O-N 3.43Å; I150-I206 HydrophobicContact CG2-CD1 4.22Å
151L94.1Very high77.7Confident1 Ų179.7 Ų79.71%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-134.9141-175.2-46.687000109.9V54 R56 Q149 Q153 T169 A171 Y172V54-L151 HydrophobicContact CB-CB 4.24Å; V54-L151 HydrophobicContact CB-CD1 4.48Å; V54-L151 WeakPolarHBondContact CB-O 3.2Å; V54-L151 HydrophobicContact CG1-CD1 4.23Å; V54-L151 PolarHBondContact N-O 3.21Å; V54-L151 PolarHBondContact O-N 3.48Å; R56-L151 HydrophobicContact CG-CD1 3.89Å; Q149-L151 HydrophobicContact CB-CD1 3.76Å; Q149-L151 HydrophobicContact CB-CG 4.33Å; Q149-L151 WeakPolarHBondContact O-CD1 3.14Å; L151-Q153 HydrophobicContact CB-CG 4.22Å; L151-T169 HydrophobicContact CB-CG2 4.14Å; L151-T169 HydrophobicContact CD2-CG2 4.03Å; L151-A171 VanDerWaalsContact CA-O 3.29Å; L151-A171 WeakPolarHBondContact CA-O 3.09Å; L151-Y172 HydrophobicContact CD2-CD1 3.6Å; L151-Y172 HydrophobicContact CD2-CE1 3.51Å; L151-Y172 HydrophobicContact CG-CD1 4.06Å; L151-Y172 HydrophobicContact CG-CE1 4.45Å
152L94Very high76.4Confident1 Ų178.8 Ų78.81%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-91.6128.6163.5-54.3-173.6000107.7I36 L38 I42 F51 V53 T169 L170 A171 L192I36-L152 HydrophobicContact CD1-CD2 3.93Å; I36-L152 HydrophobicContact CG2-CD1 4.21Å; L38-L152 HydrophobicContact CD2-CD1 3.96Å; I42-L152 HydrophobicContact CD1-CD1 4.29Å; F51-L152 HydrophobicContact CD2-CB 4.44Å; F51-L152 HydrophobicContact CD2-CD2 3.96Å; F51-L152 HydrophobicContact CE2-CD2 3.93Å; V53-L152 HydrophobicContact CG2-CD2 4.16Å; L152-T169 WeakPolarHBondContact O-CG2 3.44Å; L152-L170 HydrophobicContact CB-CB 4.16Å; L152-L170 WeakPolarHBondContact O-CB 3.34Å; L152-L170 PolarHBondContact O-N 3.22Å; L152-A171 HydrophobicContact CB-CB 4.36Å; L152-A171 HydrophobicContact CD1-CB 4.33Å; L152-A171 HydrophobicContact CG-CB 4.35Å; L152-A171 PolarHBondContact N-O 3.19Å; L152-A171 PolarHBondContact O-N 3.21Å; L152-L192 HydrophobicContact CD1-CD1 3.99Å; L152-L192 HydrophobicContact CG-CD2 4.46Å
153Q92.2Very high75.2Confident19 Ų1980 Ų809%0.08939%0.391CS..EExtended strand (participates in β ladder)trans-131142.1-179.8-60.6-156.1-33.600112.9F51 Y52 V54 R66 L151 Y167 K168 T169F51-Q153 CarbonylContact C-O 3.54Å; F51-Q153 WeakPolarHBondContact CA-O 3.39Å; Y52-Q153 WeakPolarHBondContact CD2-O 3.49Å; Y52-Q153 PolarHBondContact N-O 2.79Å; Y52-Q153 PolarHBondContact O-N 2.67Å; V54-Q153 HydrophobicContact CB-CG 4.21Å; V54-Q153 HydrophobicContact CG2-CB 3.95Å; V54-Q153 HydrophobicContact CG2-CG 3.76Å; R66-Q153 VanDerWaalsContact CZ-OE1 3.26Å; L151-Q153 HydrophobicContact CB-CG 4.22Å; Q153-Y167 HydrophobicContact CB-CD1 4.45Å; Q153-K168 CarbonylContact C-O 3.42Å; Q153-K168 VanDerWaalsContact CA-O 3.32Å; Q153-K168 WeakPolarHBondContact CA-O 3.46Å; Q153-T169 HydrophobicContact CG-CG2 4.44Å; Q153-T169 PolarHBondContact NE2-OG1 2.72Å
154R87.2Confident74.8Confident48 Ų4876.3 Ų76.318%0.18139%0.387CS..EExtended strand (participates in β ladder)trans-104.2143.8170.5-171.8158.177.4127.33.1110.4E43 C46 T49 Y167 K168 L170E43-R154 IonicContact OE1-NH2 2.82Å; E43-R154 IonicContact OE2-CZ 3.9Å; E43-R154 IonicContact OE2-NE 3.65Å; E43-R154 PolarHBondContact OE2-NE 2.93Å; E43-R154 IonicContact OE2-NH1 2.71Å; E43-R154 IonicContact OE2-NH2 3.69Å; E43-R154 PolarHBondContact OE2-NH2 3.23Å; C46-R154 PolarHBondContact SG-NH1 2.94Å; T49-R154 VanDerWaalsContact OG1-CD 3.29Å; T49-R154 WeakPolarHBondContact OG1-CD 3.32Å; T49-R154 PolarHBondContact OG1-NH1 3.32Å; R154-Y167 CarbonylContact O-C 3.53Å; R154-Y167 VanDerWaalsContact O-CA 3.29Å; R154-Y167 WeakPolarHBondContact O-CA 3.23Å; R154-K168 PolarHBondContact N-O 3.24Å; R154-K168 PolarHBondContact O-N 3.24Å; R154-L170 HydrophobicContact CB-CD1 4.06Å; R154-L170 HydrophobicContact CB-CD2 4.13Å; R154-L170 HydrophobicContact CB-CG 4.12Å
155R83.1Confident74.7Confident103 Ų10374.3 Ų74.339%0.38938%0.376SS..EExtended strand (participates in β ladder)trans-77.2126.3173.4-166172.9-170.2158.8-0.3109.7Y52 K157 Y167Y52-R155 HydrophobicContact CE2-CB 4.04Å; R155-K157 PolarHBondContact O-N 3.15Å; R155-Y167 HydrophobicContact CB-CD1 4.25Å; R155-Y167 HydrophobicContact CB-CE1 4.08Å; R155-Y167 HydrophobicContact CG-CE1 4.17Å
156K80.7Confident74.9Confident84 Ų8473.8 Ų73.837%0.36538%0.377SS..  trans-71.4124.4177.6-65.7-173177.5-175.10109.6Y158 G166 Y167 K168K156-Y158 HydrophobicContact CB-CD2 4.45Å; K156-Y158 HydrophobicContact CB-CE2 3.95Å; K156-Y158 HydrophobicContact CD-CE2 4.29Å; K156-G166 WeakPolarHBondContact CB-O 3.22Å; K156-G166 PolarHBondContact N-O 2.9Å; K156-Y167 WeakPolarHBondContact CE-O 3.48Å; K156-K168 HydrophobicContact CG-CB 4.28Å
157K66.4Low74.8Confident169 Ų16977 Ų7774%0.73539%0.39SS*.  trans-99.4114.9169.5-65-178.9-178.8178.20108.1R155R155-K157 PolarHBondContact O-N 3.15Å
158Y57.7Low74.7Confident140 Ų14080.9 Ų80.955%0.54941%0.405SS..  trans-95.5125.6173.2-71.9-79.5000109.8K156 S160K156-Y158 HydrophobicContact CB-CD2 4.45Å; K156-Y158 HydrophobicContact CB-CE2 3.95Å; K156-Y158 HydrophobicContact CD-CE2 4.29Å; Y158-S160 PolarHBondContact O-N 3.15Å
159K53.3Low74.6Confident209 Ų20982.5 Ų82.591%0.90942%0.415SS*.THydrogen-bonded Turntrans-67.2121.6172.7-154.8172.1-176.9-179.90107.7
160S50.1Low74.5Confident121 Ų12183.1 Ų83.185%0.84642%0.418SS*.THydrogen-bonded Turntrans808.8173.480.90000122.2Y158Y158-S160 PolarHBondContact O-N 3.15Å
161K50.7Low74.4Confident162 Ų16283.1 Ų83.170%0.70442%0.418SS*.  trans-148.7127.1168.4-117.3158.8-170.61680115V163K161-V163 PolarHBondContact O-N 2.94Å; K161-V163 VanDerWaalsContact O-N 3.16Å
162A51.9Low74.4Confident98 Ų9885.2 Ų85.281%0.8143%0.426SS*.  trans-80.616.7-17500000115
163V50.6Low74.4Confident108 Ų10885.4 Ų85.466%0.65543%0.428SS*.SBendtrans-113.1124.8-171-173.90000109.7K161K161-V163 PolarHBondContact O-N 2.94Å; K161-V163 VanDerWaalsContact O-N 3.16Å
164N51.5Low74.4Confident138 Ų13887.1 Ų87.174%0.73844%0.437SS*.  trans65.671.9-177.7-61.4-26.3000116G166N164-G166 PolarHBondContact O-N 3.47Å
165L66Low74.7Confident97 Ų9785.3 Ų85.351%0.50843%0.432SS..  trans-67.375.4165.2-72.4143.7000111.6
166G79.2Confident75.2Confident29 Ų2981.8 Ų81.830%0.29942%0.423SS..  trans-71.1177.4174.900000113.8K156 N164K156-G166 WeakPolarHBondContact CB-O 3.22Å; K156-G166 PolarHBondContact N-O 2.9Å; N164-G166 PolarHBondContact O-N 3.47Å
167Y88.9Confident75.7Confident70 Ų7077.8 Ų77.828%0.27541%0.406SS..EExtended strand (participates in β ladder)trans-118.6150.6175.5-65.9-94.8000110.7Y52 Q153 R154 R155 K156Y52-Y167 HydrophobicContact CD1-CE1 4.32Å; Y52-Y167 HydrophobicContact CD2-CE1 4.27Å; Y52-Y167 HydrophobicContact CE1-CE1 4.22Å; Y52-Y167 HydrophobicContact CE2-CE1 4.22Å; Y52-Y167 HydrophobicContact CG-CE1 4.36Å; Q153-Y167 HydrophobicContact CB-CD1 4.45Å; R154-Y167 CarbonylContact O-C 3.53Å; R154-Y167 VanDerWaalsContact O-CA 3.29Å; R154-Y167 WeakPolarHBondContact O-CA 3.23Å; R155-Y167 HydrophobicContact CB-CD1 4.25Å; R155-Y167 HydrophobicContact CB-CE1 4.08Å; R155-Y167 HydrophobicContact CG-CE1 4.17Å; K156-Y167 WeakPolarHBondContact CE-O 3.48Å
168K89.3Confident76.9Confident97 Ų9771.1 Ų71.142%0.42238%0.382SS..EExtended strand (participates in β ladder)trans-105.2127.3165.5-179177.1178.8-178.30107E43 Q153 R154 K156E43-K168 IonicContact OE1-NZ 3.69Å; E43-K168 PolarHBondContact OE1-NZ 2.93Å; Q153-K168 CarbonylContact C-O 3.42Å; Q153-K168 VanDerWaalsContact CA-O 3.32Å; Q153-K168 WeakPolarHBondContact CA-O 3.46Å; R154-K168 PolarHBondContact N-O 3.24Å; R154-K168 PolarHBondContact O-N 3.24Å; K156-K168 HydrophobicContact CG-CB 4.28Å
169T91.8Very high78.4Confident33 Ų3370.4 Ų70.420%0.20238%0.384CS..EExtended strand (participates in β ladder)trans-72.9137.9166.4-52.10000109L151 L152 Q153 A171 Y172L151-T169 HydrophobicContact CB-CG2 4.14Å; L151-T169 HydrophobicContact CD2-CG2 4.03Å; L152-T169 WeakPolarHBondContact O-CG2 3.44Å; Q153-T169 HydrophobicContact CG-CG2 4.44Å; Q153-T169 PolarHBondContact NE2-OG1 2.72Å; T169-A171 WeakPolarHBondContact CG2-O 3.31Å; T169-Y172 WeakPolarHBondContact CB-OH 3.44Å; T169-Y172 HydrophobicContact CG2-CD1 4.2Å; T169-Y172 HydrophobicContact CG2-CD2 3.86Å; T169-Y172 HydrophobicContact CG2-CE1 3.82Å; T169-Y172 HydrophobicContact CG2-CE2 3.43Å; T169-Y172 VanDerWaalsContact CG2-CE2 3.43Å; T169-Y172 HydrophobicContact CG2-CG 4.22Å; T169-Y172 VanDerWaalsContact CG2-CZ 3.41Å; T169-Y172 PolarHBondContact OG1-OH 3.28Å
170L90.6Very high80.3Confident19 Ų1960.8 Ų60.810%0.09934%0.342CS..EExtended strand (participates in β ladder)trans-102.3-43.4179-68-171.1000111.4I42 F51 L152 R154I42-L170 HydrophobicContact CD1-CB 4.15Å; I42-L170 HydrophobicContact CD1-CD1 4.23Å; I42-L170 HydrophobicContact CG2-CB 4.02Å; I42-L170 HydrophobicContact CG2-CD1 4.5Å; I42-L170 HydrophobicContact CG2-CD2 4.09Å; I42-L170 HydrophobicContact CG2-CG 4.42Å; F51-L170 HydrophobicContact CB-CD1 4.23Å; L152-L170 HydrophobicContact CB-CB 4.16Å; L152-L170 WeakPolarHBondContact O-CB 3.34Å; L152-L170 PolarHBondContact O-N 3.22Å; R154-L170 HydrophobicContact CB-CD1 4.06Å; R154-L170 HydrophobicContact CB-CD2 4.13Å; R154-L170 HydrophobicContact CB-CG 4.12Å
171A92.6Very high82.2Confident0 Ų058 Ų580%032%0.317CS..EExtended strand (participates in β ladder)trans-151.4160.8176.700000111.8L151 L152 T169 L192 Y193 I203L151-A171 VanDerWaalsContact CA-O 3.29Å; L151-A171 WeakPolarHBondContact CA-O 3.09Å; L152-A171 HydrophobicContact CB-CB 4.36Å; L152-A171 HydrophobicContact CD1-CB 4.33Å; L152-A171 HydrophobicContact CG-CB 4.35Å; L152-A171 PolarHBondContact N-O 3.19Å; L152-A171 PolarHBondContact O-N 3.21Å; T169-A171 WeakPolarHBondContact CG2-O 3.31Å; A171-L192 HydrophobicContact CB-CB 4.12Å; A171-L192 HydrophobicContact CB-CD2 4.18Å; A171-Y193 CarbonylContact C-O 3.48Å; A171-Y193 VanDerWaalsContact CA-O 3.28Å; A171-Y193 WeakPolarHBondContact CA-O 3.35Å; A171-I203 HydrophobicContact CB-CG2 4.01Å
172Y93.9Very high83.8Confident45 Ų4558.4 Ų58.418%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-129.4136.1180-60.1-100.4000110L151 T169 Y193 T194 P196L151-Y172 HydrophobicContact CD2-CD1 3.6Å; L151-Y172 HydrophobicContact CD2-CE1 3.51Å; L151-Y172 HydrophobicContact CG-CD1 4.06Å; L151-Y172 HydrophobicContact CG-CE1 4.45Å; T169-Y172 WeakPolarHBondContact CB-OH 3.44Å; T169-Y172 HydrophobicContact CG2-CD1 4.2Å; T169-Y172 HydrophobicContact CG2-CD2 3.86Å; T169-Y172 HydrophobicContact CG2-CE1 3.82Å; T169-Y172 HydrophobicContact CG2-CE2 3.43Å; T169-Y172 VanDerWaalsContact CG2-CE2 3.43Å; T169-Y172 HydrophobicContact CG2-CG 4.22Å; T169-Y172 VanDerWaalsContact CG2-CZ 3.41Å; T169-Y172 PolarHBondContact OG1-OH 3.28Å; Y172-Y193 PolarHBondContact N-O 2.85Å; Y172-Y193 PolarHBondContact O-N 3.35Å; Y172-T194 WeakPolarHBondContact CD2-O 3.21Å; Y172-T194 WeakPolarHBondContact CE2-O 3.46Å; Y172-P196 HydrophobicContact CD1-CB 3.94Å; Y172-P196 HydrophobicContact CD1-CG 4.23Å; Y172-P196 HydrophobicContact CE1-CB 4.31Å; Y172-P196 HydrophobicContact CE1-CG 4.1Å; Y172-P196 HydrophobicContact CG-CB 4.12Å
173C94.4Very high85.4Confident4 Ų463.8 Ų63.83%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-120.8125160.7178.70000107.5Q149 I150 L190 D191 L192Q149-C173 WeakPolarHBondContact CA-O 3.24Å; I150-C173 HydrophobicContact CB-CB 4.28Å; I150-C173 PolarHBondContact N-O 2.9Å; I150-C173 PolarHBondContact O-N 3.43Å; C173-L190 VanDerWaalsContact SG-CB 3.59Å; C173-D191 WeakPolarHBondContact CB-O 3.37Å; C173-D191 PolarHBondContact SG-O 2.79Å; C173-L192 HydrophobicContact CB-CD2 3.86Å
174N93.4Very high87.2Confident55 Ų5565.5 Ų65.529%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-107.5125.5-178.5-68-47.8000109.2T147 Q149 P196T147-N174 HydrophobicContact CG2-CB 4.01Å; Q149-N174 WeakPolarHBondContact CG-OD1 3.44Å; Q149-N174 PolarHBondContact NE2-OD1 3.2Å; N174-P196 PolarHBondContact ND2-O 3.22Å; N174-P196 VanDerWaalsContact ND2-O 3.09Å
175V93.6Very high89Confident10 Ų1060.3 Ų60.36%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-122.8125.3177.4-169.10000110.3T147 L148 L177 V180 I185 L190 L211T147-V175 CarbonylContact C-O 3.55Å; T147-V175 WeakPolarHBondContact CA-O 3.33Å; L148-V175 PolarHBondContact N-O 3.06Å; L148-V175 PolarHBondContact O-N 3.29Å; V175-L177 PolarHBondContact O-N 2.9Å; V175-V180 HydrophobicContact CG1-CG2 3.78Å; V175-I185 HydrophobicContact CG1-CD1 3.81Å; V175-L190 HydrophobicContact CG2-CD1 3.63Å; V175-L211 HydrophobicContact CB-CD2 4.22Å; V175-L211 HydrophobicContact CG1-CD2 3.79Å; V175-L211 HydrophobicContact CG2-CD2 4.26Å
176S92.2Very high90.2Very high30 Ų3059 Ų5921%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-75.8109.6172.3-177.80000109.9A178 Q179 V180S176-A178 PolarHBondContact O-N 2.92Å; S176-A178 VanDerWaalsContact O-N 3.17Å; S176-Q179 WeakPolarHBondContact O-CB 3.3Å; S176-Q179 PolarHBondContact O-N 3.01Å; S176-V180 PolarHBondContact O-N 3.24Å
177L92.8Very high90.7Very high0 Ų060.5 Ų60.50%028%0.28CS..Hα-helixtrans-65.1-18.1175.7-62.8178.6000112M57 Y137 N146 L148 V175 V180 L181 L211M57-L177 HydrophobicContact CE-CD1 4.08Å; M57-L177 HydrophobicContact SD-CD1 3.78Å; Y137-L177 HydrophobicContact CD2-CD1 4.14Å; Y137-L177 HydrophobicContact CE1-CD1 4.12Å; Y137-L177 HydrophobicContact CE2-CD1 3.59Å; N146-L177 HydrophobicContact CB-CB 4.48Å; N146-L177 VanDerWaalsContact O-CB 3.3Å; N146-L177 WeakPolarHBondContact O-CB 3.46Å; N146-L177 PolarHBondContact O-N 2.86Å; L148-L177 HydrophobicContact CB-CD1 4.14Å; L148-L177 HydrophobicContact CB-CD2 3.95Å; L148-L177 HydrophobicContact CB-CG 3.93Å; L148-L177 HydrophobicContact CD2-CD2 4.3Å; V175-L177 PolarHBondContact O-N 2.9Å; L177-V180 HydrophobicContact CD2-CB 4.45Å; L177-V180 HydrophobicContact CD2-CG2 4.31Å; L177-V180 PolarHBondContact O-N 2.95Å; L177-L181 VanDerWaalsContact O-CD2 3.31Å; L177-L181 WeakPolarHBondContact O-CD2 3.44Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.13Å; L177-L181 PolarHBondContact O-N 3.08Å; L177-L181 VanDerWaalsContact O-N 3.07Å; L177-L211 HydrophobicContact CD2-CD1 4.35Å
178A90.3Very high90.8Very high28 Ų2865 Ų6523%0.23130%0.297CS..Hα-helixtrans-67.7-36.3171.800000112.2S176 L181S176-A178 PolarHBondContact O-N 2.92Å; S176-A178 VanDerWaalsContact O-N 3.17Å; A178-L181 PolarHBondContact O-N 3.38Å
179Q89.1Confident91Very high126 Ų12664.2 Ų64.259%0.58929%0.293SS*.Hα-helixtrans-71-39.5171.7-68.9171.2-3300110.9S176 L181 Q182 R183S176-Q179 WeakPolarHBondContact O-CB 3.3Å; S176-Q179 PolarHBondContact O-N 3.01Å; Q179-L181 PolarHBondContact O-N 3.31Å; Q179-Q182 WeakPolarHBondContact O-CB 3.35Å; Q179-Q182 PolarHBondContact O-N 2.97Å; Q179-R183 PolarHBondContact O-N 3.31Å; Q179-R183 VanDerWaalsContact O-N 3.07Å
180V92.6Very high91.1Very high6 Ų663.9 Ų63.94%0.03629%0.29CS..Hα-helixtrans-60.5-26.2175177.40000112.4V175 S176 L177 Q182 R183 I185 L211V175-V180 HydrophobicContact CG1-CG2 3.78Å; S176-V180 PolarHBondContact O-N 3.24Å; L177-V180 HydrophobicContact CD2-CB 4.45Å; L177-V180 HydrophobicContact CD2-CG2 4.31Å; L177-V180 PolarHBondContact O-N 2.95Å; V180-Q182 VanDerWaalsContact C-N 3.34Å; V180-R183 WeakPolarHBondContact CA-O 3.48Å; V180-R183 CarbonylContact O-C 3.5Å; V180-I185 HydrophobicContact CG2-CD1 3.96Å; V180-I185 HydrophobicContact CG2-CG1 4.34Å; V180-L211 HydrophobicContact CG1-CG 4.21Å; V180-L211 WeakPolarHBondContact CG1-O 3.3Å; V180-L211 HydrophobicContact CG2-CD2 4.21Å; V180-L211 HydrophobicContact CG2-CG 4.18Å
181L90Very high91.3Very high63 Ų6366.1 Ų66.133%0.3330%0.303SS..Hα-helixtrans-67.7-33.5172.9-60.6-150.2000112.9R27 H139 L177 A178 Q179 S213R27-L181 VanDerWaalsContact NH1-CD2 3.35Å; H139-L181 WeakPolarHBondContact NE2-CD1 3.21Å; L177-L181 VanDerWaalsContact O-CD2 3.31Å; L177-L181 WeakPolarHBondContact O-CD2 3.44Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.13Å; L177-L181 PolarHBondContact O-N 3.08Å; L177-L181 VanDerWaalsContact O-N 3.07Å; A178-L181 PolarHBondContact O-N 3.38Å; Q179-L181 PolarHBondContact O-N 3.31Å; L181-S213 WeakPolarHBondContact CD2-OG 3.35Å
182Q85Confident91.4Very high170 Ų17066.1 Ų66.179%0.79430%0.303SS*.Hα-helixtrans-82.1-38-178.7-61.2177.7-49.300111.3Q179 V180Q179-Q182 WeakPolarHBondContact O-CB 3.35Å; Q179-Q182 PolarHBondContact O-N 2.97Å; V180-Q182 VanDerWaalsContact C-N 3.34Å
183R84.7Confident91.3Very high211 Ų21166.9 Ų66.980%0.79631%0.305SS*.SBendtrans-148.4117175.1-172.9170.5-179.1164.30.7109.6Q179 V180Q179-R183 PolarHBondContact O-N 3.31Å; Q179-R183 VanDerWaalsContact O-N 3.07Å; V180-R183 WeakPolarHBondContact CA-O 3.48Å; V180-R183 CarbonylContact O-C 3.5Å
184R88.9Confident91.1Very high144 Ų14470.6 Ų70.654%0.54333%0.328SS..  trans-55.6140.9169.267.4-175.7-166.9-172.113.7109.7E186R184-E186 HydrophobicContact CG-CG 4.2Å; R184-E186 VanDerWaalsContact CZ-CD 3.46Å; R184-E186 IonicContact CZ-OE1 3.91Å; R184-E186 IonicContact CZ-OE2 2.88Å; R184-E186 IonicContact NE-OE1 2.64Å; R184-E186 PolarHBondContact NE-OE1 2.74Å; R184-E186 IonicContact NE-OE2 3.7Å; R184-E186 PolarHBondContact NE-OE2 3.03Å; R184-E186 IonicContact NH2-OE1 2.65Å; R184-E186 PolarHBondContact NH2-OE1 3.12Å; R184-E186 IonicContact NH2-OE2 2.81Å; R184-E186 PolarHBondContact NH2-OE2 3.19Å
185I90.5Very high90.7Very high30 Ų3071.2 Ų71.215%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-86.5131.9174.1-62.6171000106.7V175 V180 R188 V208 Y210 L211V175-I185 HydrophobicContact CG1-CD1 3.81Å; V180-I185 HydrophobicContact CG2-CD1 3.96Å; V180-I185 HydrophobicContact CG2-CG1 4.34Å; I185-R188 HydrophobicContact CG2-CB 3.85Å; I185-R188 HydrophobicContact CG2-CG 4.46Å; I185-V208 HydrophobicContact CG2-CB 4.28Å; I185-V208 HydrophobicContact CG2-CG1 4.11Å; I185-Y210 CarbonylContact O-C 3.52Å; I185-Y210 VanDerWaalsContact O-CA 3.24Å; I185-Y210 WeakPolarHBondContact O-CA 3.39Å; I185-L211 HydrophobicContact CB-CB 4.26Å; I185-L211 HydrophobicContact CD1-CD2 4.41Å; I185-L211 PolarHBondContact N-O 3.05Å; I185-L211 PolarHBondContact O-N 2.89Å
186E91Very high90.1Very high70 Ų7072.3 Ų72.333%0.32734%0.339SS..EExtended strand (participates in β ladder)trans-141.7148175.7-69.2-178.8125.100109.3R184 R188 L209R184-E186 HydrophobicContact CG-CG 4.2Å; R184-E186 VanDerWaalsContact CZ-CD 3.46Å; R184-E186 IonicContact CZ-OE1 3.91Å; R184-E186 IonicContact CZ-OE2 2.88Å; R184-E186 IonicContact NE-OE1 2.64Å; R184-E186 PolarHBondContact NE-OE1 2.74Å; R184-E186 IonicContact NE-OE2 3.7Å; R184-E186 PolarHBondContact NE-OE2 3.03Å; R184-E186 IonicContact NH2-OE1 2.65Å; R184-E186 PolarHBondContact NH2-OE1 3.12Å; R184-E186 IonicContact NH2-OE2 2.81Å; R184-E186 PolarHBondContact NH2-OE2 3.19Å; E186-R188 VanDerWaalsContact C-N 3.28Å; E186-R188 WeakPolarHBondContact O-CB 3.31Å; E186-R188 PolarHBondContact O-N 3.48Å; E186-R188 VanDerWaalsContact O-N 3.15Å; E186-L209 VanDerWaalsContact CA-O 3.26Å; E186-L209 WeakPolarHBondContact CA-O 2.96Å
187N89.7Confident89.5Confident60 Ų6079.7 Ų79.732%0.32137%0.367SS..EExtended strand (participates in β ladder)trans40.949.4177.7-56.7-6.1000113.8V208 L209 S659 E662N187-V208 WeakPolarHBondContact CA-O 3.29Å; N187-V208 PolarHBondContact N-O 3.11Å; N187-V208 VanDerWaalsContact N-O 3.09Å; N187-L209 PolarHBondContact N-O 2.92Å; N187-L209 PolarHBondContact OD1-O 3.36Å; N187-S659 VanDerWaalsContact ND2-CB 3.26Å; N187-S659 WeakPolarHBondContact ND2-CB 3.36Å; N187-S659 PolarHBondContact ND2-OG 3.37Å; N187-E662 PolarHBondContact ND2-OE1 3.03Å
188R90.2Very high88.2Confident163 Ų16382.4 Ų82.462%0.61539%0.386SS*.EExtended strand (participates in β ladder)trans-134.4130.4-169.9-175.3167.8-175.8149.64.8113I185 E186 L190 V208I185-R188 HydrophobicContact CG2-CB 3.85Å; I185-R188 HydrophobicContact CG2-CG 4.46Å; E186-R188 VanDerWaalsContact C-N 3.28Å; E186-R188 WeakPolarHBondContact O-CB 3.31Å; E186-R188 PolarHBondContact O-N 3.48Å; E186-R188 VanDerWaalsContact O-N 3.15Å; R188-L190 HydrophobicContact CG-CD2 4.38Å; R188-V208 PolarHBondContact N-O 3.36Å; R188-V208 WeakPolarHBondContact O-CB 3.35Å; R188-V208 PolarHBondContact O-N 3.11Å
189F93.6Very high87.2Confident81 Ų8186.2 Ų86.236%0.35541%0.411SS..EExtended strand (participates in β ladder)trans-70.5132.4165.7-71.2-87.6000110.9I37 R205 I206 E207I37-F189 HydrophobicContact CD1-CE1 3.66Å; I37-F189 HydrophobicContact CD1-CZ 4.21Å; I37-F189 HydrophobicContact CG1-CE1 4.32Å; F189-R205 HydrophobicContact CD1-CB 3.93Å; F189-I206 CarbonylContact C-O 3.55Å; F189-I206 WeakPolarHBondContact CA-O 3.08Å; F189-E207 HydrophobicContact CD1-CB 4.04Å; F189-E207 HydrophobicContact CE1-CB 3.63Å; F189-E207 HydrophobicContact CE1-CG 4.19Å; F189-E207 HydrophobicContact CE2-CB 4.48Å; F189-E207 HydrophobicContact CE2-CG 4.15Å; F189-E207 HydrophobicContact CZ-CB 3.86Å; F189-E207 HydrophobicContact CZ-CG 3.92Å
190L94.7Very high86.3Confident26 Ų2684.8 Ų84.814%0.13641%0.411CS..EExtended strand (participates in β ladder)trans-115.3141.1168.8-57.1-177.8000109.5C173 V175 R188 R205 I206 V208C173-L190 VanDerWaalsContact SG-CB 3.59Å; V175-L190 HydrophobicContact CG2-CD1 3.63Å; R188-L190 HydrophobicContact CG-CD2 4.38Å; L190-R205 CarbonylContact O-C 3.53Å; L190-R205 WeakPolarHBondContact O-CA 3.49Å; L190-I206 HydrophobicContact CB-CG2 4.17Å; L190-I206 PolarHBondContact N-O 3.11Å; L190-I206 PolarHBondContact O-N 2.81Å; L190-V208 HydrophobicContact CD1-CG2 3.61Å; L190-V208 HydrophobicContact CG-CG2 3.86Å
191D94.5Very high85.8Confident67 Ų6792.1 Ų92.136%0.35844%0.444SS..EExtended strand (participates in β ladder)trans-76.2149.9-176.3-65.8-32.6000112.9C173 Y193 P202C173-D191 WeakPolarHBondContact CB-O 3.37Å; C173-D191 PolarHBondContact SG-O 2.79Å; D191-Y193 HydrophobicContact CB-CE1 4.34Å; D191-Y193 HydrophobicContact CB-CE2 3.74Å; D191-Y193 WeakPolarHBondContact CB-OH 3.4Å; D191-Y193 PolarHBondContact OD2-OH 2.96Å; D191-P202 HydrophobicContact CB-CB 4.08Å
192L93.7Very high85.8Confident0 Ų091.1 Ų91.10%044%0.441CS..EExtended strand (participates in β ladder)trans-110.3128.4174.4-71164.8000109.6I36 L38 L152 A171 C173 P202 I203 G204 I206I36-L192 HydrophobicContact CG2-CD1 4.38Å; L38-L192 HydrophobicContact CD2-CD1 4.24Å; L152-L192 HydrophobicContact CD1-CD1 3.99Å; L152-L192 HydrophobicContact CG-CD2 4.46Å; A171-L192 HydrophobicContact CB-CB 4.12Å; A171-L192 HydrophobicContact CB-CD2 4.18Å; C173-L192 HydrophobicContact CB-CD2 3.86Å; L192-P202 WeakPolarHBondContact O-CA 3.32Å; L192-I203 HydrophobicContact CB-CG2 4.27Å; L192-I203 WeakPolarHBondContact O-CG2 3.11Å; L192-I203 PolarHBondContact O-N 3.06Å; L192-G204 WeakPolarHBondContact CB-O 3.37Å; L192-G204 PolarHBondContact N-O 2.97Å; L192-I206 HydrophobicContact CD1-CB 4.33Å
193Y92.5Very high86Confident60 Ų6084.1 Ų84.124%0.23541%0.409CS..BIsolated β-bridgetrans-119.5154.4179.5-54.1-82000111.3A171 Y172 D191 C198 T200 P202A171-Y193 CarbonylContact C-O 3.48Å; A171-Y193 VanDerWaalsContact CA-O 3.28Å; A171-Y193 WeakPolarHBondContact CA-O 3.35Å; Y172-Y193 PolarHBondContact N-O 2.85Å; Y172-Y193 PolarHBondContact O-N 3.35Å; D191-Y193 HydrophobicContact CB-CE1 4.34Å; D191-Y193 HydrophobicContact CB-CE2 3.74Å; D191-Y193 WeakPolarHBondContact CB-OH 3.4Å; D191-Y193 PolarHBondContact OD2-OH 2.96Å; Y193-C198 WeakPolarHBondContact CD1-O 3.42Å; Y193-T200 WeakPolarHBondContact CD1-O 3.4Å; Y193-T200 VanDerWaalsContact CE1-O 3.3Å; Y193-T200 WeakPolarHBondContact CE1-O 3.16Å; Y193-P202 HydrophobicContact CD1-CB 4.48Å; Y193-P202 HydrophobicContact CE1-CB 4.19Å
194T89.1Confident86.3Confident82 Ų8274.1 Ų74.150%0.50337%0.371SS..SBendtrans-74.7-28.2-178.548.30000113.7Y172 I203Y172-T194 WeakPolarHBondContact CD2-O 3.21Å; Y172-T194 WeakPolarHBondContact CE2-O 3.46Å; T194-I203 HydrophobicContact CG2-CB 4.29Å; T194-I203 HydrophobicContact CG2-CD1 3.73Å; T194-I203 HydrophobicContact CG2-CG2 4.31Å
195D85.8Confident86.6Confident68 Ų6872.3 Ų72.336%0.36437%0.365SS..SBendtrans-128.2142.5176.2-174.9-77.4000110.3K197 C198D195-K197 PolarHBondContact O-N 3.47Å; D195-K197 VanDerWaalsContact O-N 3.11Å; D195-K197 WeakPolarHBondContact OD1-CB 3.23Å; D195-K197 PolarHBondContact OD1-N 3.02Å; D195-C198 HydrophobicContact CB-CB 4.15Å; D195-C198 PolarHBondContact O-N 3.37Å
196P80.4Confident86.7Confident34 Ų3470.9 Ų70.922%0.22136%0.357CS..THydrogen-bonded Turntrans-69.5-1.9-179.131.3-39000115.3Y172 N174Y172-P196 HydrophobicContact CD1-CB 3.94Å; Y172-P196 HydrophobicContact CD1-CG 4.23Å; Y172-P196 HydrophobicContact CE1-CB 4.31Å; Y172-P196 HydrophobicContact CE1-CG 4.1Å; Y172-P196 HydrophobicContact CG-CB 4.12Å; N174-P196 PolarHBondContact ND2-O 3.22Å; N174-P196 VanDerWaalsContact ND2-O 3.09Å
197K79.5Confident86.9Confident185 Ų18569.8 Ų69.880%0.80435%0.352SS*.THydrogen-bonded Turntrans-109.5-23.8172.9-61.2-179.2177.9-1790113.8D195 S199D195-K197 PolarHBondContact O-N 3.47Å; D195-K197 VanDerWaalsContact O-N 3.11Å; D195-K197 WeakPolarHBondContact OD1-CB 3.23Å; D195-K197 PolarHBondContact OD1-N 3.02Å; K197-S199 PolarHBondContact O-N 3.41Å
198C65.5Low87.1Confident57 Ų5767 Ų6739%0.38534%0.337SS..  trans-80.4118.9-177.8-690000111Y193 D195 T200Y193-C198 WeakPolarHBondContact CD1-O 3.42Å; D195-C198 HydrophobicContact CB-CB 4.15Å; D195-C198 PolarHBondContact O-N 3.37Å; C198-T200 VanDerWaalsContact C-N 3.32Å
199S69.6Low87.2Confident108 Ų10862.5 Ų62.576%0.75533%0.325SS*.  trans-97.526.5167.964.50000112.3K197K197-S199 PolarHBondContact O-N 3.41Å
200T71.6Confident87.2Confident96 Ų9662.1 Ų62.159%0.58932%0.322SS*.SBendtrans-74-178.8172.650.20000110.5Y193 C198Y193-T200 WeakPolarHBondContact CD1-O 3.4Å; Y193-T200 VanDerWaalsContact CE1-O 3.3Å; Y193-T200 WeakPolarHBondContact CE1-O 3.16Å; C198-T200 VanDerWaalsContact C-N 3.32Å
201H80.6Confident87.3Confident160 Ų16060.9 Ų60.974%0.74132%0.315SS*.SBendtrans-41.1124.2-176.7-103.180.3000113.2
202P89.8Confident87.3Confident41 Ų4158.8 Ų58.827%0.26631%0.306SS..  trans-64.6147.8178.727.4-34.2000111D191 L192 Y193D191-P202 HydrophobicContact CB-CB 4.08Å; L192-P202 WeakPolarHBondContact O-CA 3.32Å; Y193-P202 HydrophobicContact CD1-CB 4.48Å; Y193-P202 HydrophobicContact CE1-CB 4.19Å
203I89.2Confident87.3Confident24 Ų2459.3 Ų59.312%0.12331%0.309CS..SBendtrans-89.8-12175-165.4163.6000112D39 I42 A171 L192 T194D39-I203 PolarHBondContact N-O 3.15Å; D39-I203 VanDerWaalsContact N-O 3.12Å; I42-I203 HydrophobicContact CB-CD1 4.35Å; I42-I203 HydrophobicContact CG1-CD1 4.11Å; I42-I203 HydrophobicContact CG1-CG1 4.43Å; I42-I203 HydrophobicContact CG2-CD1 4.07Å; A171-I203 HydrophobicContact CB-CG2 4.01Å; L192-I203 HydrophobicContact CB-CG2 4.27Å; L192-I203 WeakPolarHBondContact O-CG2 3.11Å; L192-I203 PolarHBondContact O-N 3.06Å; T194-I203 HydrophobicContact CG2-CB 4.29Å; T194-I203 HydrophobicContact CG2-CD1 3.73Å; T194-I203 HydrophobicContact CG2-CG2 4.31Å
204G91.9Very high87.2Confident0 Ų061.2 Ų61.20%032%0.323CS..EExtended strand (participates in β ladder)trans176.8-173.5-178.700000111.8I37 D39 L192I37-G204 CarbonylContact O-C 3.54Å; I37-G204 WeakPolarHBondContact O-CA 3.42Å; D39-G204 WeakPolarHBondContact OD2-CA 3.16Å; L192-G204 WeakPolarHBondContact CB-O 3.37Å; L192-G204 PolarHBondContact N-O 2.97Å
205R94.3Very high87.2Confident107 Ų10761 Ų6140%0.40432%0.323SS..EExtended strand (participates in β ladder)trans-141.2147.8-174.7-47.7175.2-131.7-171.35.7108.7I37 D39 F189 L190I37-R205 PolarHBondContact N-O 3.26Å; I37-R205 PolarHBondContact O-N 2.8Å; I37-R205 VanDerWaalsContact O-O 3.11Å; D39-R205 IonicContact OD1-CZ 3.16Å; D39-R205 IonicContact OD1-NE 2.93Å; D39-R205 PolarHBondContact OD1-NE 3.02Å; D39-R205 IonicContact OD1-NH2 2.68Å; D39-R205 PolarHBondContact OD1-NH2 2.96Å; D39-R205 IonicContact OD2-CZ 2.68Å; D39-R205 IonicContact OD2-NE 3.33Å; D39-R205 PolarHBondContact OD2-NE 3Å; D39-R205 IonicContact OD2-NH2 3.37Å; F189-R205 HydrophobicContact CD1-CB 3.93Å; L190-R205 CarbonylContact O-C 3.53Å; L190-R205 WeakPolarHBondContact O-CA 3.49Å
206I94.3Very high86.9Confident0 Ų059.8 Ų59.80%032%0.316CS..EExtended strand (participates in β ladder)trans-127126.7176-166.2163.7000110.5L33 Q35 I36 I150 F189 L190 L192L33-I206 HydrophobicContact CD1-CD1 3.79Å; L33-I206 HydrophobicContact CD2-CD1 4.32Å; L33-I206 HydrophobicContact CD2-CG1 4.29Å; Q35-I206 WeakPolarHBondContact O-CA 3.48Å; I36-I206 HydrophobicContact CD1-CD1 4.12Å; I36-I206 HydrophobicContact CG1-CD1 3.68Å; I36-I206 HydrophobicContact CG1-CG1 3.79Å; I150-I206 HydrophobicContact CG2-CD1 4.22Å; F189-I206 CarbonylContact C-O 3.55Å; F189-I206 WeakPolarHBondContact CA-O 3.08Å; L190-I206 HydrophobicContact CB-CG2 4.17Å; L190-I206 PolarHBondContact N-O 3.11Å; L190-I206 PolarHBondContact O-N 2.81Å; L192-I206 HydrophobicContact CD1-CB 4.33Å
207E94.4Very high86.3Confident47 Ų4765.2 Ų65.222%0.2234%0.339CS..EExtended strand (participates in β ladder)trans-82.9117.6-179.1-169.7173.2-15100110.6L33 V34 Q35 F189L33-E207 VanDerWaalsContact CA-O 3.26Å; L33-E207 WeakPolarHBondContact CA-O 2.95Å; V34-E207 HydrophobicContact CB-CB 4.48Å; V34-E207 HydrophobicContact CB-CG 4.39Å; V34-E207 PolarHBondContact N-O 3.29Å; Q35-E207 HydrophobicContact CB-CB 3.9Å; Q35-E207 WeakPolarHBondContact CB-OE2 3.05Å; Q35-E207 PolarHBondContact O-N 3.36Å; F189-E207 HydrophobicContact CD1-CB 4.04Å; F189-E207 HydrophobicContact CE1-CB 3.63Å; F189-E207 HydrophobicContact CE1-CG 4.19Å; F189-E207 HydrophobicContact CE2-CB 4.48Å; F189-E207 HydrophobicContact CE2-CG 4.15Å; F189-E207 HydrophobicContact CZ-CB 3.86Å; F189-E207 HydrophobicContact CZ-CG 3.92Å
208V94.9Very high85.3Confident0 Ų063.5 Ų63.50%033%0.331CS..EExtended strand (participates in β ladder)trans-97.5110.7174.3-178.40000108.7L31 S32 L33 I185 N187 R188 L190 Y210 L211L31-V208 HydrophobicContact CD1-CG1 4.12Å; S32-V208 CarbonylContact O-C 3.53Å; S32-V208 WeakPolarHBondContact O-CA 3.35Å; L33-V208 HydrophobicContact CD2-CB 4.38Å; L33-V208 HydrophobicContact CD2-CG2 3.75Å; I185-V208 HydrophobicContact CG2-CB 4.28Å; I185-V208 HydrophobicContact CG2-CG1 4.11Å; N187-V208 WeakPolarHBondContact CA-O 3.29Å; N187-V208 PolarHBondContact N-O 3.11Å; N187-V208 VanDerWaalsContact N-O 3.09Å; R188-V208 PolarHBondContact N-O 3.36Å; R188-V208 WeakPolarHBondContact O-CB 3.35Å; R188-V208 PolarHBondContact O-N 3.11Å; L190-V208 HydrophobicContact CD1-CG2 3.61Å; L190-V208 HydrophobicContact CG-CG2 3.86Å; V208-Y210 WeakPolarHBondContact CG1-O 3.48Å; V208-L211 HydrophobicContact CG1-CB 3.75Å
209L91.3Very high84.4Confident69 Ų6966.9 Ų66.936%0.36135%0.345SS..EExtended strand (participates in β ladder)trans-63.4-50171.2-176.768.6000109.8S32 V34 E186 N187S32-L209 PolarHBondContact O-N 3.33Å; V34-L209 HydrophobicContact CG2-CB 3.61Å; V34-L209 HydrophobicContact CG2-CD1 4.25Å; V34-L209 HydrophobicContact CG2-CG 4.37Å; E186-L209 VanDerWaalsContact CA-O 3.26Å; E186-L209 WeakPolarHBondContact CA-O 2.96Å; N187-L209 PolarHBondContact N-O 2.92Å; N187-L209 PolarHBondContact OD1-O 3.36Å
210Y94.1Very high83.4Confident73 Ų7369.7 Ų69.729%0.28635%0.351SS..EExtended strand (participates in β ladder)trans-152.8148.2168.269.6-93.6000112L31 S32 T132 I185 V208L31-Y210 CarbonylContact C-O 3.56Å; L31-Y210 WeakPolarHBondContact CA-O 3.31Å; S32-Y210 PolarHBondContact N-O 2.74Å; S32-Y210 PolarHBondContact O-N 2.99Å; T132-Y210 WeakPolarHBondContact CG2-OH 3.23Å; I185-Y210 CarbonylContact O-C 3.52Å; I185-Y210 VanDerWaalsContact O-CA 3.24Å; I185-Y210 WeakPolarHBondContact O-CA 3.39Å; V208-Y210 WeakPolarHBondContact CG1-O 3.48Å
211L96.2Very high82.2Confident0 Ų071.4 Ų71.40%036%0.356CS..EExtended strand (participates in β ladder)trans-139.4115.6164.8168.554.4000108.2C29 S30 L31 L148 V175 L177 V180 I185 V208C29-L211 VanDerWaalsContact SG-CD1 3.53Å; S30-L211 WeakPolarHBondContact O-CA 3.41Å; L31-L211 HydrophobicContact CB-CD1 4.16Å; L31-L211 HydrophobicContact CD1-CB 3.81Å; L31-L211 HydrophobicContact CD1-CD1 4.09Å; L31-L211 HydrophobicContact CD1-CD2 4.14Å; L31-L211 HydrophobicContact CD1-CG 4.22Å; L148-L211 HydrophobicContact CD2-CD1 4.33Å; L148-L211 HydrophobicContact CD2-CD2 4.34Å; V175-L211 HydrophobicContact CB-CD2 4.22Å; V175-L211 HydrophobicContact CG1-CD2 3.79Å; V175-L211 HydrophobicContact CG2-CD2 4.26Å; L177-L211 HydrophobicContact CD2-CD1 4.35Å; V180-L211 HydrophobicContact CG1-CG 4.21Å; V180-L211 WeakPolarHBondContact CG1-O 3.3Å; V180-L211 HydrophobicContact CG2-CD2 4.21Å; V180-L211 HydrophobicContact CG2-CG 4.18Å; I185-L211 HydrophobicContact CB-CB 4.26Å; I185-L211 HydrophobicContact CD1-CD2 4.41Å; I185-L211 PolarHBondContact N-O 3.05Å; I185-L211 PolarHBondContact O-N 2.89Å; V208-L211 HydrophobicContact CG1-CB 3.75Å
212S94.6Very high80.1Confident23 Ų2370.1 Ų70.116%0.16136%0.355CS..EExtended strand (participates in β ladder)trans-129.3161.7-179.364.50000111.3C29 S30C29-S212 CarbonylContact C-O 3.38Å; C29-S212 WeakPolarHBondContact CA-O 3.49Å; S30-S212 PolarHBondContact N-O 3.43Å; S30-S212 PolarHBondContact O-N 3.08Å
213S94Very high77.3Confident11 Ų1171.8 Ų71.88%0.07738%0.379CS..EExtended strand (participates in β ladder)trans-137.1125.7168.3172.70000109.4R27 L28 Y137 L181R27-S213 PolarHBondContact NH1-O 3.09Å; R27-S213 PolarHBondContact NH1-OG 3.1Å; L28-S213 WeakPolarHBondContact O-CA 3.29Å; Y137-S213 PolarHBondContact OH-OG 3.21Å; L181-S213 WeakPolarHBondContact CD2-OG 3.35Å
214L90.8Very high74.6Confident101 Ų10179.2 Ų79.253%0.52941%0.411SS..EExtended strand (participates in β ladder)trans-114.6148.7179.8-61.7176000110.4R27 L28R27-L214 CarbonylContact C-O 3.41Å; R27-L214 WeakPolarHBondContact CA-O 3.17Å; R27-L214 VanDerWaalsContact CB-O 3.3Å; R27-L214 WeakPolarHBondContact CB-O 3.42Å; R27-L214 WeakPolarHBondContact CG-O 3.41Å; R27-L214 VanDerWaalsContact NH1-C 3.31Å; L28-L214 PolarHBondContact N-O 3.16Å; L28-L214 PolarHBondContact O-N 3.03Å
215P88.3Confident71.7Confident77 Ų7790.2 Ų90.250%0.545%0.452SS..EExtended strand (participates in β ladder)trans-59.6149.7166.229.6-34.7000110.4
216I80.6Confident68.7Low43 Ų4393.9 Ų93.922%0.22147%0.471CS..  trans-98.8111.9167.7-65.7170.5000107.7P26 L28 Q136P26-I216 HydrophobicContact CB-CB 4.41Å; P26-I216 PolarHBondContact O-N 3.18Å; L28-I216 HydrophobicContact CB-CD1 4.11Å; L28-I216 HydrophobicContact CB-CG1 3.93Å; Q136-I216 HydrophobicContact CB-CD1 4.07Å; Q136-I216 HydrophobicContact CG-CD1 3.53Å
217E67.3Low65.6Low148 Ų148100.2 Ų100.269%0.69251%0.509SS*.  trans-61.5134.9171.2-69.7162.6-167.500109.5D219E217-D219 VanDerWaalsContact C-N 3.31Å
218K58.1Low62.8Low148 Ų148102.1 Ų102.164%0.64352%0.524SS*.SBendtrans-82.4-14.5-170.7-72.4-179.6176.6175.30112.8L220 L221 N222K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 2.96Å; K218-L221 PolarHBondContact O-N 2.95Å; K218-L221 VanDerWaalsContact O-N 3.11Å; K218-N222 PolarHBondContact O-N 3.45Å
219D46.5Very low59.9Low128 Ų128107.6 Ų107.668%0.68455%0.553SS**THydrogen-bonded Turntrans-79-19.4-157.3-51.3-67.6000112.9E217 L221E217-D219 VanDerWaalsContact C-N 3.31Å; D219-L221 VanDerWaalsContact C-N 3.34Å
220L47.7Very low57.1Low167 Ų167113.4 Ų113.487%0.87458%0.578SS**THydrogen-bonded Turntrans-78.8-10.7171.4-64.8176.4000114.4K218K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 2.96Å
221L46.9Very low54.3Low133 Ų133117.7 Ų117.770%0.69661%0.607SS**THydrogen-bonded Turntrans-101.2-21.1176.4-76.4162.8000113K218 D219 G223K218-L221 PolarHBondContact O-N 2.95Å; K218-L221 VanDerWaalsContact O-N 3.11Å; D219-L221 VanDerWaalsContact C-N 3.34Å; L221-G223 PolarHBondContact O-N 3.26Å; L221-G223 VanDerWaalsContact O-N 3.12Å
222N36.4Very low51.3Low133 Ų133125.8 Ų125.871%0.71164%0.644SS**  trans-85.445.7173.2-93.112.2000112.9K218 K224K218-N222 PolarHBondContact O-N 3.45Å; N222-K224 PolarHBondContact O-N 2.68Å
223G32.4Very low48.4Very low76 Ų76131.9 Ų131.978%0.78468%0.675SS**  trans-68.650.9175.600000114.9L221L221-G223 PolarHBondContact O-N 3.26Å; L221-G223 VanDerWaalsContact O-N 3.12Å
224K30.8Very low45.7Very low179 Ų179140.4 Ų140.478%0.77871%0.707SS**SBendtrans-142.480.1178-80.6-166.5174.2-178.20112.2N222N222-K224 PolarHBondContact O-N 2.68Å
225R31.3Very low43Very low232 Ų232141.6 Ų141.688%0.87572%0.72SS**  trans70.2126.2177.7-48.8165.6-70-178.31.6110.6
226K31.3Very low40.6Very low184 Ų184144 Ų14480%0.873%0.728SS**  cis-101.8127.135.9-70178.6166.7-167.20114.9V228K226-V228 HydrophobicContact CB-CB 4.34Å; K226-V228 HydrophobicContact CB-CG2 3.97Å; K226-V228 HydrophobicContact CD-CB 4.35Å; K226-V228 HydrophobicContact CD-CG2 3.7Å; K226-V228 HydrophobicContact CG-CG2 3.91Å
227V30.9Very low38.8Very low132 Ų132146.7 Ų146.780%0.875%0.748SS**  -83.9118.9124.3174.80000103.9
228V35.4Very low37.1Very low87 Ų87146.6 Ų146.653%0.52775%0.752SS.*  trans-135.7104.2155.2168.9000099.4K226K226-V228 HydrophobicContact CB-CB 4.34Å; K226-V228 HydrophobicContact CB-CG2 3.97Å; K226-V228 HydrophobicContact CD-CB 4.35Å; K226-V228 HydrophobicContact CD-CG2 3.7Å; K226-V228 HydrophobicContact CG-CG2 3.91Å
229D33.5Very low35.9Very low116 Ų116144.4 Ų144.462%0.6275%0.751SS**  55.6102.5100.9-41.4-40.4000107.2D231D229-D231 VanDerWaalsContact C-N 3.28Å
230E32.4Very low35.7Very low190 Ų190148.5 Ų148.589%0.88876%0.759SS**  39.660.853-86-172.4-143.900110.3
231D34.4Very low35.1Very low164 Ų164144.5 Ų144.588%0.87774%0.744SS**  -157.5170.2120.1-94.3-31.7000111D229D229-D231 VanDerWaalsContact C-N 3.28Å
232E34.5Very low34.5Very low169 Ų169145.9 Ų145.979%0.7975%0.747SS**  trans-82.1174.6-168.7-74.5-77.1-167.500115.3
233D33.3Very low34.3Very low151 Ų151146.2 Ų146.281%0.80775%0.745SS**  trans66.9120.8156-76.6-42.9000121.2
234Y36Very low34.6Very low191 Ų191150.2 Ų150.275%0.74975%0.748SS**  trans-63.9151.8149.4-103-118000109.6I236Y234-I236 HydrophobicContact CD1-CD1 4.44Å; Y234-I236 HydrophobicContact CD1-CG1 3.94Å; Y234-I236 HydrophobicContact CE1-CD1 3.73Å; Y234-I236 HydrophobicContact CE1-CG1 3.74Å
235P36.2Very low34.8Very low125 Ų125148.2 Ų148.281%0.81275%0.746SS**  -143.2176.956.837.3-17.4000117.1
236I37.3Very low35.2Very low127 Ų127142.7 Ų142.765%0.65174%0.743SS**  trans-107.3173.6174.2-21178.7000108.7Y234Y234-I236 HydrophobicContact CD1-CD1 4.44Å; Y234-I236 HydrophobicContact CD1-CG1 3.94Å; Y234-I236 HydrophobicContact CE1-CD1 3.73Å; Y234-I236 HydrophobicContact CE1-CG1 3.74Å
237P42.4Very low35.2Very low101 Ų101141 Ų14166%0.65674%0.743SS**  -106.4-171.3-96.741.6-28.1000112.9
238D31.5Very low35.6Very low145 Ų145142.8 Ų142.878%0.77574%0.742SS**  -165.2120.8124.9-96.5-20.1000108.6
239V33.9Very low36.2Very low102 Ų102144 Ų14462%0.61875%0.749SS**  87144.692.7170.20000112.9
240Y42Very low36.2Very low215 Ų215146.4 Ų146.484%0.84376%0.757SS**  trans69.8144.9-166.1-56-75.1000115.6
241S34.7Very low36.1Very low82 Ų82144.9 Ų144.957%0.57375%0.749SS**  cis-169.1150.6-36.6-116.40000107.6
242E33.3Very low36.3Very low162 Ų162142.8 Ų142.876%0.75775%0.748SS**  trans42.3118.1152.1-75130.8-84.100121.7
243Q33.7Very low36.5Very low141 Ų141141.3 Ų141.366%0.65975%0.745SS**  62.7113.4106.8-154.681.933.100118.4D245Q243-D245 PolarHBondContact NE2-OD2 2.76Å
244D37.8Very low37.2Very low160 Ų160142.2 Ų142.286%0.85675%0.75SS**  -167.1152.4116.7-101.5-14.1000111.6
245D35Very low37.4Very low137 Ų137138.3 Ų138.373%0.73374%0.742SS**  trans-95.7150.9-170.9-58.9-82.2000112.6Q243Q243-D245 PolarHBondContact NE2-OD2 2.76Å
246S38.7Very low37.7Very low115 Ų115141.3 Ų141.380%0.80475%0.745SS**  trans-160.8106149.5-169.50000111.2
247D33.1Very low37.6Very low149 Ų149141.6 Ų141.680%0.79775%0.747SS**  trans-67.1154.2155.4-68.5-57.5000110.3
248H39.2Very low37.4Very low169 Ų169141.6 Ų141.678%0.78276%0.755SS**  trans-168.4110134.4-112.4-67.7000113.1
249V47.5Very low37.5Very low112 Ų112143.6 Ų143.668%0.67976%0.76SS**  trans47.9119.9144-57.60000121.1
250E33.1Very low37.4Very low167 Ų167144.7 Ų144.778%0.7877%0.771SS**  32.5140.589.7-51.7-59172.300116.3
251E31Very low36.7Very low158 Ų158143 Ų14374%0.73877%0.771SS**  cis-164.7165.67.1175.5171.4-12200107.5
252S39.1Very low36.8Very low120 Ų120146.6 Ų146.684%0.83978%0.782SS**  trans-161.375.9166.21800000111.6
253D37.8Very low36.9Very low139 Ų139145.6 Ų145.674%0.74379%0.786SS**  trans-78.1160.7167.7-92.5-21.3000112.4
254D47.6Very low36.6Very low169 Ų169141.9 Ų141.990%0.90479%0.786SS**  trans-144106.4175.2-147.2-11.4000107.9
255D39.5Very low36.3Very low109 Ų109143.5 Ų143.558%0.58379%0.788SS**  trans-100.8151.5-155-148.7-21.4000113.7I257D255-I257 PolarHBondContact OD1-N 2.74Å
256Q43.2Very low36Very low189 Ų189142.2 Ų142.288%0.88379%0.79SS**  trans-166.666155.2-115.1152109.100113.1
257I36.3Very low35.5Very low132 Ų132148 Ų14868%0.67779%0.794SS**  trans13.8120.1130.8-45.3176.8000116.5D255D255-I257 PolarHBondContact OD1-N 2.74Å
258A37.5Very low35.4Very low101 Ų101150 Ų15084%0.83580%0.798SS**  trans-143.8122.9143.500000108.3
259E33.4Very low35Very low187 Ų187152.1 Ų152.187%0.87481%0.805SS**  trans-65.1142.2-161.4-56.9160.6128.100114.5
260C32Very low34.5Very low125 Ų125156 Ų15685%0.84581%0.813SS**  -167.1103.1115.8-163.70000109.7
261E26.6Very low34.4Very low180 Ų180156.6 Ų156.684%0.84182%0.821SS**  trans-72.2149.3162.7-69.6-163.3110.100110.7
262I38Very low34.4Very low158 Ų158154.4 Ų154.481%0.8182%0.818SS**  -173.5120.9124.9-97156.8000108.8
263V35.2Very low34.1Very low140 Ų140158.5 Ų158.585%0.84882%0.82SS**  trans40.993.8158.2-172.60000116.2
264G28.1Very low33.7Very low63 Ų63156.4 Ų156.465%0.64982%0.822SS**  trans-79.5163176.400000114.7
265H29.6Very low32.8Very low194 Ų194157.5 Ų157.590%0.89882%0.824SS**  trans-157.4151.9143.7-111.670.2000111
266S29.1Very low32.7Very low110 Ų110156.2 Ų156.277%0.76982%0.824SS**  trans62.294.1168.1-163.70000118.6
267R29.2Very low32.4Very low237 Ų237154.5 Ų154.589%0.89483%0.826SS**  trans-165.7104132.6-109.9159.6-174.2-108.31.8113.4
268Q30.3Very low32.4Very low191 Ų191150.6 Ų150.689%0.89382%0.818SS**  trans15085.9134.2-79.9-177.232.500112.8
269K32Very low32.9Very low214 Ų214152.9 Ų152.993%0.9381%0.812SS**  trans-127156.1148.4-78.3-177.1177.2173.90108.7
270K35.8Very low33.7Very low192 Ų192153 Ų15384%0.83581%0.81SS**  trans78.583.9167.3-130.6163.4-167.8169.20118V272K270-V272 HydrophobicContact CG-CG2 4.09Å; K270-V272 PolarHBondContact O-N 3.09Å
271L30.9Very low34.6Very low181 Ų181152.8 Ų152.895%0.94880%0.796SS**  trans-63.469.1158.7-177.382.8000112.1
272V32.3Very low36.2Very low112 Ų112150 Ų15068%0.67979%0.785SS**  trans-143.375.8173.4-168.40000111.8K270K270-V272 HydrophobicContact CG-CG2 4.09Å; K270-V272 PolarHBondContact O-N 3.09Å
273K31.3Very low36.9Very low205 Ų205146.8 Ų146.889%0.89177%0.766SS**  trans-15247.8169.8-145.976.3173.8-170.30115.6
274A29.5Very low38.4Very low95 Ų95147.2 Ų147.279%0.78576%0.758SS**  trans-97.315215600000109.3
275M29.3Very low40Very low192 Ų192150.1 Ų150.195%0.94675%0.753SS**  trans71.963-176.3-55.317564.700116.5
276S36.9Very low41.7Very low83 Ų83145 Ų14558%0.5873%0.732SS**  trans-138.880.7142.9-170.30000111.1
277V38Very low43.6Very low153 Ų153143.2 Ų143.293%0.92771%0.713SS**  trans-128.270.4175.7-171.20000108.3
278G35.4Very low45.4Very low49 Ų49133.6 Ų133.651%0.50569%0.688SS.*SBendtrans-154.6-47.4-17800000114.7K280 Q281G278-K280 VanDerWaalsContact C-N 3.33Å; G278-K280 PolarHBondContact O-N 3.14Å; G278-Q281 PolarHBondContact O-N 3.37Å
279Q47.9Very low46.8Very low149 Ų149129.7 Ų129.770%0.69667%0.672SS**Hα-helixtrans-61.8-32.2-171.4-74.5172.9-4500114.4Q281 I282Q279-Q281 VanDerWaalsContact C-N 3.3Å; Q279-Q281 PolarHBondContact O-N 2.85Å; Q279-I282 WeakPolarHBondContact O-CG2 3.49Å; Q279-I282 PolarHBondContact O-N 3.14Å; Q279-I282 VanDerWaalsContact O-N 3.12Å
280K50.8Low47.9Very low191 Ų191124.5 Ų124.583%0.8365%0.654SS**Hα-helixtrans-64.7-28.4-178.9-68.1-166.5176.9-172.90114.1G278G278-K280 VanDerWaalsContact C-N 3.33Å; G278-K280 PolarHBondContact O-N 3.14Å
281Q51.5Low49.3Very low119 Ų119123.5 Ų123.556%0.55665%0.65SS**Hα-helixtrans-76.7-21.6175.5-71-165.115.100113.4G278 Q279 K285G278-Q281 PolarHBondContact O-N 3.37Å; Q279-Q281 VanDerWaalsContact C-N 3.3Å; Q279-Q281 PolarHBondContact O-N 2.85Å; Q281-K285 WeakPolarHBondContact O-CB 3.45Å; Q281-K285 WeakPolarHBondContact O-CG 3.45Å; Q281-K285 PolarHBondContact O-N 3.34Å
282I58.5Low50.3Low121 Ų121123.6 Ų123.662%0.62164%0.643SS**Hα-helixtrans-74.5-42.3-177.4-137.172.5000111.3Q279 Q284 K285 L286Q279-I282 WeakPolarHBondContact O-CG2 3.49Å; Q279-I282 PolarHBondContact O-N 3.14Å; Q279-I282 VanDerWaalsContact O-N 3.12Å; I282-Q284 PolarHBondContact O-N 3.49Å; I282-K285 PolarHBondContact O-N 3.02Å; I282-L286 WeakPolarHBondContact O-CB 3.5Å; I282-L286 PolarHBondContact O-N 2.94Å
283K54.4Low50.5Low92 Ų92124.5 Ų124.540%0.464%0.643SS.*Hα-helixtrans-60.7-44.8177.7-145.2164.7-175.4172.30109.6L286 I287 D316K283-L286 PolarHBondContact O-N 3.2Å; K283-I287 VanDerWaalsContact O-CD1 3.25Å; K283-I287 WeakPolarHBondContact O-CD1 3.49Å; K283-I287 PolarHBondContact O-N 3Å; K283-D316 IonicContact NZ-OD2 3.14Å; K283-D316 PolarHBondContact NZ-OD2 2.79Å
284Q66.7Low51.1Low148 Ų148123.2 Ų123.269%0.69264%0.637SS**Hα-helixtrans-65.6-42.7175.1-72.2-176.5-19.800114.3I282 L286 I287 G288I282-Q284 PolarHBondContact O-N 3.49Å; Q284-L286 VanDerWaalsContact C-N 3.33Å; Q284-L286 PolarHBondContact O-N 2.9Å; Q284-I287 PolarHBondContact O-N 3.46Å; Q284-G288 PolarHBondContact O-N 3.12Å
285K60.2Low51.6Low124 Ų124126 Ų12654%0.53964%0.637SS.*Hα-helixtrans-66.4-34.7177.8-77.2167.4176163.10112.2Q281 I282 G288 L289Q281-K285 WeakPolarHBondContact O-CB 3.45Å; Q281-K285 WeakPolarHBondContact O-CG 3.45Å; Q281-K285 PolarHBondContact O-N 3.34Å; I282-K285 PolarHBondContact O-N 3.02Å; K285-G288 PolarHBondContact O-N 3.39Å; K285-L289 WeakPolarHBondContact O-CG 3.46Å; K285-L289 PolarHBondContact O-N 3.43Å
286L65.3Low51.8Low88 Ų88122.3 Ų122.346%0.46163%0.631SS.*Hα-helixtrans-67.3-46.5173.4-170.368.4000111.7I282 K283 Q284 G288 L289 L290I282-L286 WeakPolarHBondContact O-CB 3.5Å; I282-L286 PolarHBondContact O-N 2.94Å; K283-L286 PolarHBondContact O-N 3.2Å; Q284-L286 VanDerWaalsContact C-N 3.33Å; Q284-L286 PolarHBondContact O-N 2.9Å; L286-G288 VanDerWaalsContact C-N 3.29Å; L286-G288 PolarHBondContact O-N 2.83Å; L286-L289 PolarHBondContact O-N 2.95Å; L286-L290 HydrophobicContact CG-CD1 4.22Å; L286-L290 WeakPolarHBondContact O-CG 3.43Å; L286-L290 PolarHBondContact O-N 2.88Å
287I68.7Low51.8Low72 Ų72125.5 Ų125.537%0.36964%0.641SS.*Hα-helixtrans-60.3-39.1174.5-90.767.4000111.1K283 Q284 L290 K291K283-I287 VanDerWaalsContact O-CD1 3.25Å; K283-I287 WeakPolarHBondContact O-CD1 3.49Å; K283-I287 PolarHBondContact O-N 3Å; Q284-I287 PolarHBondContact O-N 3.46Å; I287-L290 PolarHBondContact O-N 3.37Å; I287-K291 WeakPolarHBondContact O-CB 3.35Å; I287-K291 WeakPolarHBondContact O-CG 3.39Å; I287-K291 PolarHBondContact O-N 2.85Å
288G67.9Low51.9Low35 Ų35123.5 Ų123.536%0.36163%0.632SS.*Hα-helixtrans-65.5-35.2175.800000113.9Q284 K285 L286 K292Q284-G288 PolarHBondContact O-N 3.12Å; K285-G288 PolarHBondContact O-N 3.39Å; L286-G288 VanDerWaalsContact C-N 3.29Å; L286-G288 PolarHBondContact O-N 2.83Å; G288-K292 WeakPolarHBondContact O-CG 3.39Å; G288-K292 PolarHBondContact O-N 2.84Å
289L59.6Low52Low108 Ų108128.7 Ų128.757%0.56565%0.648SS**Hα-helixtrans-72.3-41.3173.4-77165.1000112K285 L286 K292 L293K285-L289 WeakPolarHBondContact O-CG 3.46Å; K285-L289 PolarHBondContact O-N 3.43Å; L286-L289 PolarHBondContact O-N 2.95Å; L289-K292 CarbonylContact O-C 3.56Å; L289-K292 PolarHBondContact O-N 2.91Å; L289-K292 VanDerWaalsContact O-N 3.1Å; L289-L293 PolarHBondContact O-N 3.04Å; L289-L293 VanDerWaalsContact O-N 3.11Å
290L55.5Low51.7Low105 Ų105130.6 Ų130.655%0.5566%0.656SS.*Hα-helixtrans-62.3-43.5175.1-71.9165.6000111.6L286 I287 K292 L293L286-L290 HydrophobicContact CG-CD1 4.22Å; L286-L290 WeakPolarHBondContact O-CG 3.43Å; L286-L290 PolarHBondContact O-N 2.88Å; I287-L290 PolarHBondContact O-N 3.37Å; L290-K292 PolarHBondContact O-N 2.91Å; L290-L293 PolarHBondContact O-N 2.69Å; L290-L293 VanDerWaalsContact O-N 3.08Å
291K64.3Low51.5Low172 Ų172128 Ų12875%0.74866%0.656SS**Hα-helixtrans-63.6-25.6172.9-74.9-168.5175.1-166.80113.5I287I287-K291 WeakPolarHBondContact O-CB 3.35Å; I287-K291 WeakPolarHBondContact O-CG 3.39Å; I287-K291 PolarHBondContact O-N 2.85Å
292K52Low50.9Low183 Ų183129.8 Ų129.880%0.79667%0.67SS**THydrogen-bonded Turntrans-86.8-3.1173.7-79.8-168.3170-164.90114.6G288 L289 L290G288-K292 WeakPolarHBondContact O-CG 3.39Å; G288-K292 PolarHBondContact O-N 2.84Å; L289-K292 CarbonylContact O-C 3.56Å; L289-K292 PolarHBondContact O-N 2.91Å; L289-K292 VanDerWaalsContact O-N 3.1Å; L290-K292 PolarHBondContact O-N 2.91Å
293L37.1Very low50.2Low131 Ų131130.6 Ų130.669%0.68668%0.675SS**  trans-108.310.2178.8-89.7163.6000113.7L289 L290 I295L289-L293 PolarHBondContact O-N 3.04Å; L289-L293 VanDerWaalsContact O-N 3.11Å; L290-L293 PolarHBondContact O-N 2.69Å; L290-L293 VanDerWaalsContact O-N 3.08Å; L293-I295 VanDerWaalsContact C-N 3.32Å; L293-I295 PolarHBondContact O-N 3.41Å
294K43.5Very low50.1Low177 Ų177131 Ų13177%0.7768%0.681SS**  trans-68.392.9159.9-85.5-158.8169.9-163.60109.3
295I39.9Very low49.5Very low154 Ų154129 Ų12979%0.7968%0.679SS**  trans-62.1135.3150.1-62.7173.4000106.1L293L293-I295 VanDerWaalsContact C-N 3.32Å; L293-I295 PolarHBondContact O-N 3.41Å
296S33.2Very low49.1Very low115 Ų115125.8 Ų125.880%0.80468%0.675SS**  trans-79.3121.3178.9-59.70000109.4
297D36.8Very low48.7Very low149 Ų149125.1 Ų125.180%0.79768%0.675SS**  trans-132.3112.3167.1-148.5-18.3000107.5N299D297-N299 PolarHBondContact O-N 3.02Å
298P40.7Very low48.2Very low112 Ų112124.4 Ų124.473%0.72767%0.674SS**  trans-93.570.1-165.836.7-35.2000112
299N38.2Very low47.6Very low158 Ų158125.4 Ų125.485%0.84568%0.676SS**  trans177.1102.4152.1-91.7-25.2000111.1D297D297-N299 PolarHBondContact O-N 3.02Å
300E41.1Very low47.6Very low188 Ų188127.5 Ų127.588%0.87968%0.68SS**SBendtrans174.2138.9131.4-98.5178.2-170.600111.5
301V45.8Very low47.8Very low137 Ų137127.4 Ų127.483%0.8368%0.679SS**  trans9.2121.8167.6-166.90000118.7L303V301-L303 PolarHBondContact O-N 2.85Å
302D39.7Very low47.5Very low156 Ų156124.2 Ų124.283%0.83466%0.663SS**  trans-56.3124.5172.3-99.4-48.3000113D304D302-D304 PolarHBondContact O-N 2.8Å
303L44.6Very low48.5Very low139 Ų139119.6 Ų119.673%0.72865%0.647SS**  trans-83.8108.2174.2-175.965.6000110.3V301 V305V301-L303 PolarHBondContact O-N 2.85Å; L303-V305 PolarHBondContact O-N 3.16Å
304D52Low50.2Low99 Ų99118.4 Ų118.453%0.52964%0.638SS.*  trans-55.4129.1-168.8-165.2-12.5000114.4D302 A306 T307D302-D304 PolarHBondContact O-N 2.8Å; D304-A306 PolarHBondContact O-N 2.9Å; D304-A306 PolarHBondContact OD1-N 3.09Å; D304-T307 PolarHBondContact O-N 3.14Å; D304-T307 PolarHBondContact O-OG1 2.83Å
305V53.3Low51.5Low108 Ų108114.2 Ų114.266%0.65562%0.623SS**Hα-helixtrans-62.7-27.7179.6-178.30000111.3L303 T308 S309L303-V305 PolarHBondContact O-N 3.16Å; V305-T308 PolarHBondContact O-OG1 2.86Å; V305-T308 VanDerWaalsContact O-OG1 3.06Å; V305-S309 PolarHBondContact O-N 3.12Å; V305-S309 PolarHBondContact O-OG 3.02Å
306A53.1Low52.8Low55 Ų55110.7 Ų110.746%0.45561%0.605SS.*Hα-helixtrans-65.5-40178.600000113.5D304 S309 K310D304-A306 PolarHBondContact O-N 2.9Å; D304-A306 PolarHBondContact OD1-N 3.09Å; A306-S309 PolarHBondContact O-N 3Å; A306-K310 PolarHBondContact O-N 3.37Å
307T55.7Low54.5Low75 Ų75112.7 Ų112.746%0.4660%0.595SS.*Hα-helixtrans-74-37.9-178.351.10000112.2D304 S309 K310 L311D304-T307 PolarHBondContact O-N 3.14Å; D304-T307 PolarHBondContact O-OG1 2.83Å; T307-S309 PolarHBondContact O-N 3.29Å; T307-K310 PolarHBondContact O-N 3.09Å; T307-L311 PolarHBondContact O-N 2.79Å
308T57.7Low55.7Low57 Ų57110.9 Ų110.935%0.3559%0.585SS.*Hα-helixtrans-64.2-30.5173.867.50000112.5V305V305-T308 PolarHBondContact O-OG1 2.86Å; V305-T308 VanDerWaalsContact O-OG1 3.06Å
309S55.7Low56.3Low56 Ų56108.6 Ų108.639%0.39258%0.575SS.*Hα-helixtrans-69-47.8177.4-58.30000111.9V305 A306 T307 L311 W312 D313V305-S309 PolarHBondContact O-N 3.12Å; V305-S309 PolarHBondContact O-OG 3.02Å; A306-S309 PolarHBondContact O-N 3Å; T307-S309 PolarHBondContact O-N 3.29Å; S309-L311 VanDerWaalsContact C-N 3.25Å; S309-L311 PolarHBondContact O-N 3.34Å; S309-W312 PolarHBondContact O-N 3.3Å; S309-D313 PolarHBondContact O-N 3.22Å
310K59.1Low57.3Low152 Ų152105.6 Ų105.666%0.66156%0.563SS**Hα-helixtrans-56-36.5177.9-77.7-176.4175.1178.10113.5A306 T307 W312 D313 E314A306-K310 PolarHBondContact O-N 3.37Å; T307-K310 PolarHBondContact O-N 3.09Å; K310-W312 VanDerWaalsContact C-N 3.34Å; K310-W312 PolarHBondContact O-N 3.07Å; K310-D313 PolarHBondContact O-N 2.8Å; K310-E314 PolarHBondContact O-N 3.49Å
311L61.2Low57.7Low102 Ų102100.3 Ų100.353%0.53455%0.551SS.*Hα-helixtrans-65.4-33.2176.4-82.9165.5000113T307 S309 I315T307-L311 PolarHBondContact O-N 2.79Å; S309-L311 VanDerWaalsContact C-N 3.25Å; S309-L311 PolarHBondContact O-N 3.34Å; L311-I315 WeakPolarHBondContact O-CD1 3.43Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.28Å; L311-I315 PolarHBondContact O-N 2.74Å; L311-I315 VanDerWaalsContact O-N 3.09Å
312W57.7Low57.6Low106 Ų10698.5 Ų98.540%0.40255%0.545SS..Hα-helixtrans-72.4-38.2173.2-70.1110.3000111.9S309 K310 E314 I315 D316S309-W312 PolarHBondContact O-N 3.3Å; K310-W312 VanDerWaalsContact C-N 3.34Å; K310-W312 PolarHBondContact O-N 3.07Å; W312-E314 VanDerWaalsContact C-N 3.25Å; W312-E314 PolarHBondContact O-N 3.06Å; W312-I315 HydrophobicContact CE3-CD1 4.11Å; W312-I315 HydrophobicContact CZ3-CD1 4.22Å; W312-I315 PolarHBondContact O-N 2.82Å; W312-D316 WeakPolarHBondContact O-CB 3.29Å; W312-D316 PolarHBondContact O-N 2.73Å
313D71.7Confident57.6Low86 Ų8697.8 Ų97.846%0.4654%0.541SS..Hα-helixtrans-66.4-28.4174.7-57.8-33.8000112.2S309 K310 R317S309-D313 PolarHBondContact O-N 3.22Å; K310-D313 PolarHBondContact O-N 2.8Å; D313-R317 VanDerWaalsContact CB-NH2 3.33Å; D313-R317 WeakPolarHBondContact O-CB 3.25Å; D313-R317 WeakPolarHBondContact O-CG 3.5Å; D313-R317 PolarHBondContact O-N 3.25Å; D313-R317 PolarHBondContact O-NE 3.1Å
314E72.6Confident57.7Low106 Ų10697.3 Ų97.350%0.49554%0.538SS..Hα-helixtrans-72.4-44.4172.5-171.6173.8-169.700111.5K310 W312 R317 I318K310-E314 PolarHBondContact O-N 3.49Å; W312-E314 VanDerWaalsContact C-N 3.25Å; W312-E314 PolarHBondContact O-N 3.06Å; E314-R317 PolarHBondContact O-N 2.78Å; E314-I318 HydrophobicContact CG-CD1 4.2Å; E314-I318 WeakPolarHBondContact O-CG1 3.44Å; E314-I318 PolarHBondContact O-N 3.5Å
315I70.9Confident57Low88 Ų88101.3 Ų101.345%0.45155%0.553SS.*Hα-helixtrans-63.9-45.9175.9-69.8164.7000111.6L311 W312 R317 I318 A319L311-I315 WeakPolarHBondContact O-CD1 3.43Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.28Å; L311-I315 PolarHBondContact O-N 2.74Å; L311-I315 VanDerWaalsContact O-N 3.09Å; W312-I315 HydrophobicContact CE3-CD1 4.11Å; W312-I315 HydrophobicContact CZ3-CD1 4.22Å; W312-I315 PolarHBondContact O-N 2.82Å; I315-R317 VanDerWaalsContact C-N 3.28Å; I315-R317 PolarHBondContact O-N 2.71Å; I315-I318 PolarHBondContact O-N 3.1Å; I315-A319 PolarHBondContact O-N 3.17Å
316D68Low56.2Low80 Ų80105.1 Ų105.143%0.42856%0.564SS.*Hα-helixtrans-66.8-30.2178.6-75-33.2000110.6K283 W312 A319 T320K283-D316 IonicContact NZ-OD2 3.14Å; K283-D316 PolarHBondContact NZ-OD2 2.79Å; W312-D316 WeakPolarHBondContact O-CB 3.29Å; W312-D316 PolarHBondContact O-N 2.73Å; D316-A319 PolarHBondContact O-N 2.75Å; D316-T320 PolarHBondContact O-N 2.79Å; D316-T320 PolarHBondContact O-OG1 3.31Å
317R68.1Low55.2Low157 Ų157109.3 Ų109.359%0.59258%0.578SS**Hα-helixtrans-68.3-42.4169.3-87.9176.4-76.8-157.3-3.3113.8D313 E314 I315 A319 T320 A321D313-R317 VanDerWaalsContact CB-NH2 3.33Å; D313-R317 WeakPolarHBondContact O-CB 3.25Å; D313-R317 WeakPolarHBondContact O-CG 3.5Å; D313-R317 PolarHBondContact O-N 3.25Å; D313-R317 PolarHBondContact O-NE 3.1Å; E314-R317 PolarHBondContact O-N 2.78Å; I315-R317 VanDerWaalsContact C-N 3.28Å; I315-R317 PolarHBondContact O-N 2.71Å; R317-A319 VanDerWaalsContact C-N 3.26Å; R317-A319 PolarHBondContact O-N 3.4Å; R317-T320 WeakPolarHBondContact CA-OG1 3.21Å; R317-T320 PolarHBondContact O-N 3.02Å; R317-T320 PolarHBondContact O-OG1 3.48Å; R317-A321 WeakPolarHBondContact O-CB 3.3Å; R317-A321 PolarHBondContact O-N 2.82Å
318I63.7Low54.1Low112 Ų112110.6 Ų110.657%0.57459%0.591SS**Hα-helixtrans-63.7-35.3175.4-69164000110.7E314 I315 A321E314-I318 HydrophobicContact CG-CD1 4.2Å; E314-I318 WeakPolarHBondContact O-CG1 3.44Å; E314-I318 PolarHBondContact O-N 3.5Å; I315-I318 PolarHBondContact O-N 3.1Å; I318-A321 PolarHBondContact O-N 2.86Å
319A52.8Low53Low63 Ų63115 Ų11552%0.52161%0.612SS.*Hα-helixtrans-64-40.6173.700000112.4I315 D316 R317I315-A319 PolarHBondContact O-N 3.17Å; D316-A319 PolarHBondContact O-N 2.75Å; R317-A319 VanDerWaalsContact C-N 3.26Å; R317-A319 PolarHBondContact O-N 3.4Å
320T57.8Low52.3Low96 Ų96118.1 Ų118.159%0.58963%0.629SS**Hα-helixtrans-72.2-29.4174.649.30000113.9D316 R317 S322D316-T320 PolarHBondContact O-N 2.79Å; D316-T320 PolarHBondContact O-OG1 3.31Å; R317-T320 WeakPolarHBondContact CA-OG1 3.21Å; R317-T320 PolarHBondContact O-N 3.02Å; R317-T320 PolarHBondContact O-OG1 3.48Å; T320-S322 PolarHBondContact O-N 3.42Å
321A50.4Low51.3Low77 Ų77119.5 Ų119.564%0.63664%0.637SS**THydrogen-bonded Turntrans-76.43.8-178.900000114.4R317 I318R317-A321 WeakPolarHBondContact O-CB 3.3Å; R317-A321 PolarHBondContact O-N 2.82Å; I318-A321 PolarHBondContact O-N 2.86Å
322S43.6Very low50.2Low99 Ų99118.6 Ų118.669%0.69264%0.639SS**THydrogen-bonded Turntrans-112.84179.8-169.50000114.1T320T320-S322 PolarHBondContact O-N 3.42Å
323D39.9Very low49.2Very low141 Ų141122.9 Ų122.975%0.75466%0.657SS**SBendtrans-119.420.2-179.4-93.4-6.9000112
324I46.1Very low47.5Very low129 Ų129126 Ų12666%0.66267%0.674SS**  trans-106.4115.5169.9-63.1176000108.5E326I324-E326 HydrophobicContact CG2-CG 4.27Å
325E38Very low45.6Very low182 Ų182129.6 Ų129.685%0.8570%0.695SS**  trans-89118.3164.2-69.2171.9154.100107.2D327E325-D327 PolarHBondContact O-N 3.35Å
326E35.4Very low44Very low189 Ų189132 Ų13288%0.88371%0.714SS**  trans-87.591.1172.1-70.2179.1147.400108.7I324I324-E326 HydrophobicContact CG2-CG 4.27Å
327D32.5Very low42.3Very low142 Ų142133.1 Ų133.176%0.75973%0.728SS**  trans-99.5151.2165.4-96.1-25.6000110.1E325E325-D327 PolarHBondContact O-N 3.35Å
328S33.2Very low40.6Very low103 Ų103132.5 Ų132.572%0.7274%0.735SS**  trans63.7145.4-179.667.40000117.2
329D35Very low38.9Very low148 Ų148134.9 Ų134.979%0.79174%0.744SS**  cis-154.4164-25.4-90.2-37.6000105.5
330V41.2Very low37.6Very low123 Ų123136.8 Ų136.875%0.74575%0.753SS**  173.5124.778.6159.80000104
331E37.5Very low36.5Very low180 Ų180138.8 Ų138.884%0.84177%0.765SS**  163.5151.596.7-125.9166.4-12600104.5
332S38Very low35.6Very low83 Ų83140.9 Ų140.958%0.5877%0.773SS**  cis-158.8163.6-0.1-154.40000110.1
333Y36Very low35.1Very low196 Ų196147.3 Ų147.377%0.76978%0.782SS**  trans32.7113.1171.358.6-93000120.3
334N37.7Very low34.5Very low153 Ų153146.8 Ų146.882%0.81879%0.786SS**  -168.9119.9109.8-100.3-30.1000111.8
335L31.1Very low34Very low180 Ų180147 Ų14794%0.94279%0.794SS**  trans-90.6107.1175.8-83.8157.4000110.2
336V38.3Very low33.6Very low140 Ų140146.4 Ų146.485%0.84880%0.795SS**  trans-132.9117.2157.1178.60000108.3
337S31.1Very low33.9Very low103 Ų103147.8 Ų147.872%0.7279%0.792SS**  trans-88.1-178.2171.9-173.70000110.3
338I32.7Very low34Very low143 Ų143146.3 Ų146.373%0.73379%0.791SS**  trans100.8143161.1-56.8165.5000117.3
339Q28.9Very low34.1Very low163 Ų163149.1 Ų149.176%0.76279%0.79SS**  trans65106172.2-115.977.843.200120.5
340S26Very low33.9Very low103 Ų103152.9 Ų152.972%0.7280%0.8SS**PPolyproline II helixtrans-47.5137.8155.152.40000114.4
341T33.9Very low33.4Very low137 Ų137150.6 Ų150.684%0.8479%0.794SS**PPolyproline II helixtrans-85.1144.7163.845.40000111.7
342P31.1Very low33.1Very low122 Ų122148.6 Ų148.679%0.79279%0.794SS**PPolyproline II helixtrans-93170.8-159.7-7.728.8000115.2
343R32.8Very low32.7Very low233 Ų233150 Ų15088%0.87981%0.81SS**PPolyproline II helixtrans-54.9136.6172.2-73.9177.5169.2176.8-3.7111.6T345R343-T345 PolarHBondContact O-N 3.47Å
344P29.1Very low32.3Very low131 Ų131144.4 Ų144.485%0.85181%0.813SS**  trans-72.7107.7171.529.5-33.2000110.6
345T34.4Very low31.9Very low133 Ų133142.4 Ų142.482%0.81681%0.811SS**  trans-78.8120.6174.2490000111.1R343R343-T345 PolarHBondContact O-N 3.47Å
346L30.9Very low32Very low169 Ų169138.5 Ų138.589%0.88580%0.799SS**  trans-66.1132165.9-75.1165000109.4P348L346-P348 WeakPolarHBondContact O-CD 3.36Å
347R39.7Very low31.4Very low218 Ų218139.3 Ų139.382%0.82380%0.798SS**  trans-95.6111.1173.3-173.5-165-76.2-165.5-3.5109.2F349R347-F349 HydrophobicContact CG-CD2 3.73Å; R347-F349 HydrophobicContact CG-CE2 3.8Å
348P36.2Very low31.5Very low112 Ų112140.8 Ų140.873%0.72780%0.798SS**  trans-91.5123.917834-29.8000110.9L346L346-P348 WeakPolarHBondContact O-CD 3.36Å
349F34Very low31.6Very low161 Ų161140.8 Ų140.871%0.70681%0.805SS**  trans-145.3102.6167.6-84-73.3000112.3R347R347-F349 HydrophobicContact CG-CD2 3.73Å; R347-F349 HydrophobicContact CG-CE2 3.8Å
350F30.8Very low31.9Very low227 Ų227141.3 Ų141.3100%0.99681%0.812SS**  trans-120.3100.9146.2-86.6-71.1000107.2
351A30.9Very low32.4Very low76 Ų76140.8 Ų140.863%0.62881%0.809SS**  trans-150.9101.1171.200000109.8
352T30.9Very low32.5Very low138 Ų138139 Ų13985%0.84781%0.807SS**  trans39.4107.7152.248.20000121.1
353A30.5Very low33.2Very low111 Ų111137.1 Ų137.192%0.91779%0.791SS**  trans61.1107.3130.700000120.6
354G28.1Very low33.8Very low79 Ų79129.4 Ų129.481%0.81478%0.777SS**  trans-171.6140.5164.800000112.4
355S29.6Very low35Very low112 Ų112125.5 Ų125.578%0.78376%0.76SS**  trans-42.5151.2-170-154.20000120.8
356S31.2Very low36.5Very low98 Ų98121.5 Ų121.569%0.68574%0.74SS**  trans36113.1140.462.80000122.4
357D26.8Very low38.1Very low157 Ų157119.7 Ų119.784%0.8473%0.726SS**  trans63.8160131.9-110.8-40.8000124
358D32.4Very low39.4Very low133 Ų133114.5 Ų114.571%0.71171%0.714SS**  trans52.6116169.2-92.3-39.7000121.1
359T35.7Very low40.9Very low144 Ų144114.9 Ų114.988%0.88371%0.709SS**  -174.162.1124.622.90000113S361T359-S361 PolarHBondContact O-N 3.46Å
360L35.7Very low42.7Very low173 Ų173113.8 Ų113.891%0.90670%0.704SS**SBendtrans-8678.9165.3-81177.7000111.8A362L360-A362 PolarHBondContact O-N 3.31Å
361S36.3Very low44.4Very low93 Ų93110.3 Ų110.365%0.6568%0.684SS**  trans24.684.5161.6-165.40000117T359 D363 A364T359-S361 PolarHBondContact O-N 3.46Å; S361-D363 PolarHBondContact O-N 3.3Å; S361-A364 PolarHBondContact O-N 3.5Å
362A36Very low46Very low98 Ų98110.8 Ų110.881%0.8168%0.675SS**THydrogen-bonded Turntrans-62.5-12.4-173.100000116.4L360L360-A362 PolarHBondContact O-N 3.31Å
363D45Very low47.7Very low83 Ų83109.8 Ų109.844%0.44466%0.661SS.*Hα-helixtrans-81.1-19.8-174.8178.449.5000113.8S361 K367S361-D363 PolarHBondContact O-N 3.3Å; D363-K367 PolarHBondContact O-N 2.97Å; D363-K367 WeakPolarHBondContact OD1-CD 3.48Å; D363-K367 WeakPolarHBondContact OD1-CE 3.35Å; D363-K367 IonicContact OD1-NZ 3.97Å; D363-K367 PolarHBondContact OD1-NZ 3.1Å; D363-K367 VanDerWaalsContact OD2-CE 3.25Å; D363-K367 WeakPolarHBondContact OD2-CE 3.44Å; D363-K367 IonicContact OD2-NZ 2.69Å; D363-K367 PolarHBondContact OD2-NZ 2.87Å
364A46.4Very low49.5Very low72 Ų72113.5 Ų113.560%0.59565%0.652SS**Hα-helixtrans-64.9-42.8-179.700000112.9S361 L368S361-A364 PolarHBondContact O-N 3.5Å; A364-L368 PolarHBondContact O-N 3.01Å
365G52.9Low50.9Low48 Ų48113.3 Ų113.350%0.49563%0.63SS.*Hα-helixtrans-68.9-44.6179.500000112.7K367 L368 L369G365-K367 VanDerWaalsContact C-N 3.32Å; G365-K367 PolarHBondContact O-N 3.37Å; G365-L368 PolarHBondContact O-N 3.07Å; G365-L369 PolarHBondContact O-N 2.71Å
366A66.5Low51.6Low49 Ų49114.5 Ų114.541%0.40563%0.626SS.*Hα-helixtrans-62.8-36.5-179.200000112.8K370A366-K370 WeakPolarHBondContact O-CB 3.19Å; A366-K370 PolarHBondContact O-N 3.18Å
367K64.2Low52.6Low132 Ų132116 Ų11657%0.57463%0.626SS**Hα-helixtrans-71.9-34.3175.5-76.4172.9175.2166.70112.9D363 G365 R371D363-K367 PolarHBondContact O-N 2.97Å; D363-K367 WeakPolarHBondContact OD1-CD 3.48Å; D363-K367 WeakPolarHBondContact OD1-CE 3.35Å; D363-K367 IonicContact OD1-NZ 3.97Å; D363-K367 PolarHBondContact OD1-NZ 3.1Å; D363-K367 VanDerWaalsContact OD2-CE 3.25Å; D363-K367 WeakPolarHBondContact OD2-CE 3.44Å; D363-K367 IonicContact OD2-NZ 2.69Å; D363-K367 PolarHBondContact OD2-NZ 2.87Å; G365-K367 VanDerWaalsContact C-N 3.32Å; G365-K367 PolarHBondContact O-N 3.37Å; K367-R371 WeakPolarHBondContact O-CB 3.33Å; K367-R371 PolarHBondContact O-N 3.05Å
368L67.8Low53.8Low109 Ų109112.4 Ų112.457%0.57162%0.618SS**Hα-helixtrans-66.3-45.7171.6-16872.5000111.1A364 G365 R371 L372A364-L368 PolarHBondContact O-N 3.01Å; G365-L368 PolarHBondContact O-N 3.07Å; L368-R371 PolarHBondContact O-N 3.29Å; L368-R371 VanDerWaalsContact O-N 3.16Å; L368-L372 HydrophobicContact CG-CD1 4.23Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 2.62Å
369L68.2Low54.2Low120 Ų120113.7 Ų113.763%0.62862%0.62SS**Hα-helixtrans-61.3-48.3177.8-128.375.8000111.8G365 R371 L372 Q373G365-L369 PolarHBondContact O-N 2.71Å; L369-R371 PolarHBondContact O-N 3.36Å; L369-L372 PolarHBondContact O-N 2.87Å; L369-Q373 VanDerWaalsContact O-CB 3.26Å; L369-Q373 WeakPolarHBondContact O-CB 3.32Å; L369-Q373 PolarHBondContact O-N 3.37Å
370K70.9Confident54.2Low137 Ų137111.4 Ų111.460%0.59661%0.61SS**Hα-helixtrans-64-25.8175.6-77.5-178.1175.2177.60113.3A366 R374A366-K370 WeakPolarHBondContact O-CB 3.19Å; A366-K370 PolarHBondContact O-N 3.18Å; K370-R374 WeakPolarHBondContact O-CG 3.34Å; K370-R374 PolarHBondContact O-N 3.01Å
371R66.6Low54.1Low155 Ų155111.6 Ų111.659%0.58561%0.606SS**Hα-helixtrans-73.4-50.6171.9-176.4175.8178.8110.115.8111.3K367 L368 L369 Q373 R374 E375K367-R371 WeakPolarHBondContact O-CB 3.33Å; K367-R371 PolarHBondContact O-N 3.05Å; L368-R371 PolarHBondContact O-N 3.29Å; L368-R371 VanDerWaalsContact O-N 3.16Å; L369-R371 PolarHBondContact O-N 3.36Å; R371-Q373 VanDerWaalsContact C-N 3.29Å; R371-Q373 PolarHBondContact O-N 2.85Å; R371-R374 PolarHBondContact O-N 2.98Å; R371-R374 VanDerWaalsContact O-N 3.09Å; R371-E375 HydrophobicContact CG-CG 4.47Å; R371-E375 IonicContact CZ-OE1 3.16Å; R371-E375 IonicContact NE-OE1 2.78Å; R371-E375 PolarHBondContact NE-OE1 2.69Å; R371-E375 IonicContact NE-OE2 2.74Å; R371-E375 IonicContact NH2-OE1 2.68Å; R371-E375 PolarHBondContact NH2-OE1 3.38Å; R371-E375 PolarHBondContact O-N 3.31Å
372L64.7Low54.1Low85 Ų85113.6 Ų113.645%0.44561%0.614SS.*Hα-helixtrans-61.1-38.5177.8-69.7169.7000111.7L368 L369 R374 E375 L376L368-L372 HydrophobicContact CG-CD1 4.23Å; L368-L372 WeakPolarHBondContact O-CG 3.49Å; L368-L372 PolarHBondContact O-N 2.62Å; L369-L372 PolarHBondContact O-N 2.87Å; L372-R374 VanDerWaalsContact C-N 3.32Å; L372-R374 PolarHBondContact O-N 3.41Å; L372-E375 PolarHBondContact O-N 2.9Å; L372-L376 WeakPolarHBondContact O-CB 3.23Å; L372-L376 WeakPolarHBondContact O-CG 3.34Å; L372-L376 PolarHBondContact O-N 3.43Å
373Q67.1Low54.1Low118 Ų118116.5 Ų116.555%0.55162%0.617SS**Hα-helixtrans-65.6-32.6175.4-166.2173.312.900112.5L369 R371 L377L369-Q373 VanDerWaalsContact O-CB 3.26Å; L369-Q373 WeakPolarHBondContact O-CB 3.32Å; L369-Q373 PolarHBondContact O-N 3.37Å; R371-Q373 VanDerWaalsContact C-N 3.29Å; R371-Q373 PolarHBondContact O-N 2.85Å; Q373-L377 HydrophobicContact CG-CD1 4.46Å; Q373-L377 WeakPolarHBondContact O-CB 3.37Å; Q373-L377 WeakPolarHBondContact O-CD1 3.35Å; Q373-L377 VanDerWaalsContact O-CG 3.28Å; Q373-L377 WeakPolarHBondContact O-CG 3.4Å; Q373-L377 PolarHBondContact O-N 3.11Å; Q373-L377 VanDerWaalsContact O-N 3.13Å
374R67.9Low53.6Low189 Ų189119.6 Ų119.671%0.71364%0.638SS**Hα-helixtrans-74.5-39.6169.6-77.3-178.6-175150-0.7112.9K370 R371 L372 L376 L377 A378K370-R374 WeakPolarHBondContact O-CG 3.34Å; K370-R374 PolarHBondContact O-N 3.01Å; R371-R374 PolarHBondContact O-N 2.98Å; R371-R374 VanDerWaalsContact O-N 3.09Å; L372-R374 VanDerWaalsContact C-N 3.32Å; L372-R374 PolarHBondContact O-N 3.41Å; R374-L376 PolarHBondContact O-N 2.87Å; R374-L377 CarbonylContact O-C 3.56Å; R374-L377 PolarHBondContact O-N 2.93Å; R374-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 PolarHBondContact O-N 3.04Å
375E56.7Low53Low75 Ų75121.5 Ų121.535%0.3565%0.648SS.*Hα-helixtrans-69-23.8178.1-73.917316700112.3R371 L372 Q379R371-E375 HydrophobicContact CG-CG 4.47Å; R371-E375 IonicContact CZ-OE1 3.16Å; R371-E375 IonicContact NE-OE1 2.78Å; R371-E375 PolarHBondContact NE-OE1 2.69Å; R371-E375 IonicContact NE-OE2 2.74Å; R371-E375 IonicContact NH2-OE1 2.68Å; R371-E375 PolarHBondContact NH2-OE1 3.38Å; R371-E375 PolarHBondContact O-N 3.31Å; L372-E375 PolarHBondContact O-N 2.9Å; E375-Q379 PolarHBondContact O-NE2 3.3Å
376L45.1Very low52.3Low136 Ų136125.2 Ų125.271%0.71266%0.663SS**Hα-helixtrans-77.7-38.8167.4-78.4164000113.1L372 R374 A378L372-L376 WeakPolarHBondContact O-CB 3.23Å; L372-L376 WeakPolarHBondContact O-CG 3.34Å; L372-L376 PolarHBondContact O-N 3.43Å; R374-L376 PolarHBondContact O-N 2.87Å; L376-A378 VanDerWaalsContact C-N 3.27Å; L376-A378 PolarHBondContact O-N 3.34Å
377L50.9Low50.6Low130 Ų130130.3 Ų130.368%0.68168%0.684SS**Hα-helixtrans-77.4-8.6176-73.7168.2000113.9Q373 R374Q373-L377 HydrophobicContact CG-CD1 4.46Å; Q373-L377 WeakPolarHBondContact O-CB 3.37Å; Q373-L377 WeakPolarHBondContact O-CD1 3.35Å; Q373-L377 VanDerWaalsContact O-CG 3.28Å; Q373-L377 WeakPolarHBondContact O-CG 3.4Å; Q373-L377 PolarHBondContact O-N 3.11Å; Q373-L377 VanDerWaalsContact O-N 3.13Å; R374-L377 CarbonylContact O-C 3.56Å; R374-L377 PolarHBondContact O-N 2.93Å
378A53.2Low49.4Very low82 Ų82128.8 Ų128.868%0.67869%0.685SS**THydrogen-bonded Turntrans-104.813.8177.900000113.4R374 L376R374-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 PolarHBondContact O-N 3.04Å; L376-A378 VanDerWaalsContact C-N 3.27Å; L376-A378 PolarHBondContact O-N 3.34Å
379Q39.8Very low47.8Very low160 Ų160127.8 Ų127.875%0.74869%0.692SS**  trans-125.342.7176-72.1178.963.100111E375E375-Q379 PolarHBondContact O-NE2 3.3Å
380S37Very low46.4Very low96 Ų96130.2 Ų130.267%0.67170%0.7SS**  trans-125.235.617868.40000113
381E32.7Very low44.8Very low176 Ų176129.9 Ų129.982%0.82270%0.704SS**SBendtrans-130.8141.7162.4-69.1-170.9163.500108.7
382T37.6Very low43.3Very low135 Ų135132.5 Ų132.583%0.82871%0.714SS**SBendtrans71.3133.8-172.263.70000117.9
383D35.4Very low42Very low160 Ų160133.3 Ų133.386%0.85673%0.727SS**  trans65.9114.4160.5-57.2-6000121.2
384T34Very low40.6Very low147 Ų147135.1 Ų135.190%0.90274%0.738SS**  trans-98.9128.4-177.151.30000113.2
385S33.2Very low39Very low113 Ų113133.8 Ų133.879%0.7974%0.744SS**  trans-151.8130.4157.8-166.80000110.7
386P38.7Very low37.7Very low126 Ų126134.7 Ų134.782%0.81876%0.764SS**  trans-101.593.4-167.636.7-32.3000113.7
387D31.5Very low37.1Very low156 Ų156133.4 Ų133.483%0.83477%0.766SS**  trans-143.530.9172.7-135.9-10.8000114.6
388T37.6Very low36.3Very low100 Ų100134.1 Ų134.161%0.61378%0.775SS**  trans-127.243.6-179.363.60000113.5
389A34.7Very low35.3Very low87 Ų87133.4 Ų133.472%0.71978%0.776SS**SBendtrans-74.9-43.5171.400000112.1L391 R392A389-L391 PolarHBondContact O-N 3.25Å; A389-R392 PolarHBondContact O-N 2.92Å
390H38.9Very low35Very low171 Ų171135.9 Ų135.979%0.79279%0.785SS**G310 helixtrans-67.6-27.6-168.2-112.6-68.7000115.4R392H390-R392 VanDerWaalsContact C-N 3.34Å; H390-R392 PolarHBondContact O-N 3.3Å
391L37.5Very low34.7Very low130 Ų130136.9 Ų136.968%0.68179%0.792SS**G310 helixtrans-78.5-11.5-176.1-67.2178.2000114.5A389 S393A389-L391 PolarHBondContact O-N 3.25Å; L391-S393 VanDerWaalsContact C-N 3.34Å
392R35.1Very low34.6Very low210 Ų210135 Ų13579%0.79279%0.791SS**G310 helixtrans-76.5-19175.4-74.7-176177.3148.91.9113.6A389 H390 M394A389-R392 PolarHBondContact O-N 2.92Å; H390-R392 VanDerWaalsContact C-N 3.34Å; H390-R392 PolarHBondContact O-N 3.3Å; R392-M394 PolarHBondContact O-N 2.89Å
393S37.9Very low34.2Very low102 Ų102134 Ų13471%0.71379%0.79SS**G310 helixtrans-80.6-12.4-174.2-165.30000115.1L391L391-S393 VanDerWaalsContact C-N 3.34Å
394M36.8Very low33.9Very low157 Ų157135.9 Ų135.977%0.77379%0.791SS**G310 helixtrans-102-1.3-172-72.1-172.865.800115.2R392R392-M394 PolarHBondContact O-N 2.89Å
395L35.1Very low33.8Very low161 Ų161137.2 Ų137.284%0.84379%0.787SS**SBendtrans-110.915.6-172.7-75.1167.6000114.2
396A30.1Very low33.5Very low93 Ų93138.5 Ų138.577%0.76979%0.785SS**  trans-123.347.7-169.900000113.9
397S30.8Very low33.6Very low109 Ų109136.3 Ų136.376%0.76277%0.771SS**  trans-147.618.8-179.460.40000116.8
398V33.8Very low33.6Very low145 Ų145138.5 Ų138.588%0.87977%0.773SS**SBendtrans-132.2106.8172.2-176.80000112.3
399G33.1Very low33.2Very low67 Ų67136.8 Ų136.869%0.69178%0.776SS**  trans83.389.8149.700000118.7
400K33.3Very low32.8Very low213 Ų213142.9 Ų142.993%0.92679%0.786SS**  177.9131.996.8-96.1171.1180-178.40113.3
401S30.1Very low32.5Very low117 Ų117140.8 Ų140.882%0.81879%0.79SS**  trans-104.4108.5158.640.20000109.5
402V30.8Very low32.1Very low135 Ų135140.3 Ų140.382%0.81880%0.798SS**  trans-162113.3141.5174.80000106.4
403S30Very low31.9Very low114 Ų114133.5 Ų133.580%0.79779%0.793SS**  trans-154.2123.2164.557.20000109
404F29.7Very low31.7Very low201 Ų201138.5 Ų138.588%0.88280%0.802SS**  trans-68.4154.7170.2-83.7-98.3000110.9
405Q30.1Very low31.3Very low175 Ų175135.5 Ų135.582%0.81880%0.796SS**  trans-64.5143.1168.8-88.4133.7-54.500110.7
406N28.2Very low31.1Very low140 Ų140134.3 Ų134.375%0.74979%0.791SS**  72.3152.753.5-14734.5000111
407P40.6Very low31.2Very low80 Ų80136.9 Ų136.952%0.51979%0.791SS.*  cis-137.4-171.8-6.119.98000115.7
408F31.7Very low31Very low202 Ų202138.7 Ų138.789%0.88679%0.791SS**  trans71153.8160.7-58.5-69.7000120.2
409G28.5Very low31.2Very low64 Ų64137.7 Ų137.766%0.6679%0.788SS**  cis156.7102.2-17.200000118.4
410K27.2Very low30.9Very low215 Ų215141.7 Ų141.794%0.93579%0.793SS**  trans53.9127.1152.5-56.1176.9-178.7176.90121.3
411S31.5Very low30.6Very low126 Ų126137 Ų13788%0.88177%0.774SS**  trans-161.7-177.7139.5670000111.6
412S28.7Very low30.3Very low120 Ų120140 Ų14084%0.83977%0.767SS**  trans-162.8150.8-15458.50000117.3
413G31.6Very low30.2Very low67 Ų67142 Ų14269%0.69177%0.765SS**  trans-161.8132.7157.900000109.6
414K33.4Very low30Very low207 Ų207142 Ų14290%0.977%0.765SS**  79.9138.656-79.9-168169.1-1730113.3
415S29.6Very low30.1Very low94 Ų94136.8 Ų136.866%0.65776%0.759SS**  cis-161.1-175.8-13.861.70000108.1
416D29.7Very low30.1Very low136 Ų136136.6 Ų136.673%0.72776%0.763SS**  cis-147.7-156.711.6-124.3-55.2000107.7
417L32.4Very low30.4Very low147 Ų147136 Ų13677%0.7777%0.766SS**  cis-150.2-169.67.3-137.1-178.2000108.4
418L28Very low30Very low148 Ų148135.6 Ų135.678%0.77578%0.777SS**  trans-137.1170.5177.3-63.1172.2000110.9
419P36.1Very low29.7Very low124 Ų124131.4 Ų131.481%0.80577%0.773SS**  -147.8173.998.233.3-14.6000114.6
420L27Very low29.9Very low151 Ų151133 Ų13379%0.79177%0.774SS**  cis-177.7143.5-27.3173.260.6000108.7
421E26.8Very low29.9Very low113 Ų113128.7 Ų128.753%0.52877%0.766SS.*  trans58.7138.6176.6-67.4-73.891.900115.8
422R23.8Very low29.9Very low181 Ų181128.4 Ų128.468%0.68376%0.759SS**  cis94.4143.335.1-161.5-158.8-84.1154.4-14.4112.7
423F29.1Very low29.9Very low177 Ų177128.6 Ų128.678%0.77676%0.755SS**  trans91143.2172.5-63.2-71.4000118.3
424S25.6Very low29.8Very low115 Ų115135.5 Ų135.580%0.80477%0.766SS**  trans-107.3144.7-172.251.50000111.3
425A33Very low29.7Very low90 Ų90131.5 Ų131.574%0.74476%0.76SS**  trans-139.6129.317300000112.9
426L30.8Very low29.7Very low171 Ų171134.2 Ų134.290%0.89577%0.767SS**  trans68.8152.2168.5-79.673.1000119
427P32.7Very low29.8Very low127 Ų127133.4 Ų133.483%0.82577%0.772SS**  trans-137.9-169.8-150.842.3-22.1000114.8
428G32.7Very low29.9Very low72 Ų72129.6 Ų129.674%0.74277%0.768SS**  trans114.5111143.900000116.8
429S26.7Very low30.6Very low115 Ų115128.2 Ų128.280%0.80477%0.768SS**  trans-56.2159.2152-139.20000109.7
430S31.2Very low30.3Very low98 Ų98129.9 Ų129.969%0.68577%0.769SS**  cis-168.8143.538.726.60000115.4
431T28.8Very low30.7Very low123 Ų123130.9 Ų130.976%0.75577%0.769SS**  trans66.9158.9136.1-43.10000120.7
432T31.1Very low31Very low121 Ų121130 Ų13074%0.74278%0.776SS**  trans83.899.5171.565.20000118.8
433T27.2Very low31.6Very low124 Ų124127.4 Ų127.476%0.76178%0.78SS**  trans5.3133.8133.251.50000119.2
434F29.7Very low31.8Very low211 Ų211125.6 Ų125.693%0.92578%0.779SS**  trans-146.8150.7136.1-110.9-74.3000112.5
435T32.3Very low32.4Very low123 Ų123125.1 Ų125.176%0.75578%0.776SS**  trans-93.2136.7173.648.20000111.7
436D29.3Very low32.3Very low152 Ų152126.2 Ų126.281%0.81378%0.777SS**  trans12.6127.8147.1-16819.5000120.2
437S32.4Very low32.2Very low119 Ų119125.5 Ų125.583%0.83277%0.774SS**  trans-164.7125.1155.5-76.40000111.3
438G32.9Very low32.2Very low66 Ų66126.5 Ų126.568%0.6877%0.771SS**  trans-89.8-178.9175.300000114.8
439P43.1Very low32.2Very low119 Ų119130.4 Ų130.477%0.77377%0.77SS**  -128.5149.71036.116.3000112.5
440L30.4Very low32.3Very low159 Ų159135.9 Ų135.983%0.83277%0.773SS**  62.6135.966.9-61.4169.9000112.7
441Q35Very low32.2Very low172 Ų172135.4 Ų135.480%0.80478%0.784SS**  cis-146.5164.124.5-119.2154.433.600110.6
442S32.9Very low32.3Very low94 Ų94133.4 Ų133.466%0.65779%0.788SS**  -177.6148.97235.70000113.2
443T37.2Very low32.3Very low127 Ų127131 Ų13178%0.77979%0.787SS**  trans52132.2155.553.30000120.1
444D33.6Very low32.5Very low140 Ų140133.3 Ų133.375%0.74979%0.789SS**  cis-167.5174.6-6.6-139.1-120.3000107.7
445S36.6Very low32.7Very low105 Ų105129.5 Ų129.573%0.73478%0.776SS**  cis-133.3-143.16.3-58.30000111
446S31.7Very low32.7Very low112 Ų112131.6 Ų131.678%0.78378%0.779SS**  trans-149.4-177.5-172.2700000116.4
447L28.1Very low32.6Very low157 Ų157129.3 Ų129.382%0.82277%0.774SS**  trans-49.9162-174.3-68.568.6000115.9
448L33.1Very low32.3Very low147 Ų147131.5 Ų131.577%0.7778%0.776SS**  -170140.1118.5-99.8167.4000114.9
449Q32.4Very low32.2Very low155 Ų155133.3 Ų133.372%0.72478%0.784SS**  trans47.3137.4146.3-77.3173.516.700125.6
450R29.7Very low31.5Very low229 Ų229131.4 Ų131.486%0.86479%0.786SS**  trans53.796.6138.3-70.6178.8158.7-173.4-5.5120.8
451G29.2Very low31.4Very low89 Ų89127.4 Ų127.492%0.91878%0.784SS**  71.3144.298.400000121.7
452G30Very low31.4Very low81 Ų81131.2 Ų131.284%0.83579%0.791SS**  trans138.3137.1164.600000115
453G31.8Very low31Very low69 Ų69136.2 Ų136.271%0.71180%0.801SS**  trans84.4130.5176.900000114.3
454H32.1Very low30.6Very low173 Ų173134.6 Ų134.680%0.80180%0.801SS**  cis68137.442.7-64.325000113.7
455M32.1Very low30.7Very low132 Ų132138.1 Ų138.165%0.6581%0.809SS**  cis-163.9164.8-15.2-108.5-152.8-147.700107.8
456M32.5Very low30.2Very low167 Ų167144.7 Ų144.782%0.82382%0.818SS**  trans42.8116.1156.2-63.7-171.1-173.700119.8
457S27.8Very low30.2Very low103 Ų103149.7 Ų149.772%0.7283%0.826SS**  87.2134.470.9-164.10000115.5
458L27Very low30.4Very low166 Ų166146.1 Ų146.187%0.86982%0.819SS**  trans77142.3163.7-70.7163.4000122.6
459A29.1Very low30.3Very low103 Ų103146.6 Ų146.685%0.85182%0.817SS**  trans95.6145.314900000121.4
460G28.6Very low30.3Very low79 Ų79144.7 Ų144.781%0.81481%0.811SS**  trans83.1134.4-178.600000113.5
461G28.4Very low30.5Very low76 Ų76144.1 Ų144.178%0.78481%0.809SS**  cis103.3125.124.300000108.6
462R35.3Very low30.8Very low251 Ų251151.1 Ų151.195%0.94781%0.807SS**  cis-149.1163.638.8-58.3178.9-177.5-139-3.5113.2
463F25.1Very low30.7Very low199 Ų199158.1 Ų158.187%0.87381%0.808SS**  trans-82.8159.9161.4-112.5-107.2000111.3
464A28.4Very low30.7Very low93 Ų93159.1 Ų159.177%0.76980%0.804SS**  trans66.4129153.500000120.8
465K35.9Very low30.6Very low214 Ų214158.1 Ų158.193%0.9381%0.805SS**  -132.4147125.6-106.6176.3-180176.80109.4
466R26.8Very low30.7Very low243 Ų243156.4 Ų156.492%0.91781%0.806SS**  trans-110.8168.8177.3-112.6-175.8-179.91790.7109.5
467F31.7Very low30.8Very low217 Ų217158 Ų15895%0.95281%0.808SS**  trans-51.8137.5177.3-79-93.6000114.9
468A31.1Very low30.9Very low82 Ų82161.3 Ų161.368%0.67881%0.812SS**  trans-157.7150.3156.400000105.4
469H31.4Very low31.1Very low157 Ų157159.9 Ų159.973%0.72780%0.804SS**  cis-155.7161.9-2.8-122.6-28.6000108.3
470I33.1Very low31.4Very low115 Ų115164 Ų16459%0.5980%0.803SS**  47.8132.2108-82.5177.7000114.8
471R34Very low31.5Very low218 Ų218163.3 Ų163.382%0.82380%0.796SS**  cis-160.1176.818-136.8174-159.2123.71.1114.8
472R33.8Very low32Very low236 Ų236167 Ų16789%0.89180%0.795SS**  trans-60.4173.2156.4-62.9173.6-177.1173.6-1.8111.9
473R29.5Very low31.9Very low227 Ų227162.9 Ų162.986%0.85779%0.786SS**  cis172.3135.9-27.4-173-170.1-164.2-168.86.4107
474S31.6Very low32.3Very low90 Ų90162.4 Ų162.463%0.62978%0.784SS**  trans72.7131.3156-78.70000125.1
475N30.1Very low32.8Very low152 Ų152163.2 Ų163.281%0.81378%0.781SS**  trans73.6125.7133.4-58.811.1000123.3
476S33.4Very low32.6Very low96 Ų96158 Ų15867%0.67177%0.771SS**  172114.9100.3175.20000115.8
477K34Very low32.9Very low201 Ų201156.1 Ų156.187%0.87477%0.77SS**  trans56.9163.5145.8-57.9171.5-172.4175.90120.7
478H30.7Very low32.7Very low173 Ų173150.3 Ų150.380%0.80176%0.756SS**  cis-168.2179.4-45.8-161.6-106.4000108.5
479I32Very low32.6Very low135 Ų135152.7 Ų152.769%0.69276%0.757SS**  trans79.1137169.6-60.5172.4000113
480F33.9Very low32.5Very low189 Ų189154.2 Ų154.283%0.82976%0.758SS**  cis-138.7135.43-139.9-35.3000111.8
481G32.2Very low32.3Very low65 Ų65154.9 Ų154.967%0.6776%0.763SS**  trans73.8-171.9150.500000117.6
482M38.2Very low32.2Very low155 Ų155151.9 Ų151.976%0.76476%0.758SS**  cis-157.7143.7-17.9-122.9-53.3176.800111
483H33.9Very low31.9Very low163 Ų163148 Ų14876%0.75575%0.751SS**  trans57.9167.7-178.4-73.84.8000114.9
484K33.5Very low32Very low190 Ų190142.1 Ų142.183%0.82674%0.744SS**  cis-126.9142.7-20.9-138.7179-176.1-176.70107.2
485P39Very low31.9Very low110 Ų110146 Ų14671%0.71475%0.752SS**  trans-124.8-178.4-143.643-31.7000116.6
486S30.9Very low32Very low104 Ų104144.9 Ų144.973%0.72775%0.751SS**  trans86147.615084.90000117.5
487K32.6Very low31.8Very low203 Ų203146 Ų14688%0.88375%0.753SS**  cis-155.7178.4-8.6-126.9171.9-174.4-177.40111.3
488S27.7Very low31.5Very low96 Ų96143.4 Ų143.467%0.67175%0.749SS**  trans-140.1170-176.259.50000112.3
489N29.6Very low31.6Very low131 Ų131144.9 Ų144.970%0.70176%0.756SS**  trans129.2126.6140.7-72.40.4000119
490Y30.1Very low31.7Very low189 Ų189141.5 Ų141.574%0.74176%0.755SS**  trans58.8126.2134-74.7-109000123.2
491N28.2Very low31.6Very low130 Ų130139.1 Ų139.170%0.69576%0.755SS**  37.1146.1128.8-45.55.8000119.9
492Q31.1Very low31.6Very low155 Ų155143.6 Ų143.672%0.72476%0.759SS**  cis-167155.833.7-162.8160.7-30.900113.1
493E28.4Very low31.1Very low155 Ų155141 Ų14172%0.72476%0.756SS**  trans27.1124.5157.4-68.3169.7121.400125.3
494S31.8Very low31Very low102 Ų102139.8 Ų139.871%0.71375%0.754SS**  81.5109.2126.4-56.40000125.5
495E29.6Very low30.8Very low172 Ų172137.2 Ų137.280%0.80475%0.749SS**  71.9136.9129.2-76.2-169.6149.900126.1
496T31.1Very low30.5Very low128 Ų128137.4 Ų137.479%0.78574%0.743SS**  trans70.9152.1151.253.80000121.7
497V29.2Very low30.5Very low119 Ų119140.8 Ų140.872%0.72175%0.747SS**  cis-172.1161.6-35.5115.10000111.5
498N28.6Very low30.4Very low147 Ų147135.3 Ų135.379%0.78673%0.734SS**  trans71.1135.7160.3-81.5-9.8000124.7
499Q33Very low30.5Very low204 Ų204138.8 Ų138.895%0.95374%0.74SS**  163.4145.1127.3-89.4175.713.600109.7
500G33.9Very low30.5Very low64 Ų64137.7 Ų137.766%0.6674%0.742SS**  cis-154.6160.2-8.600000109.1
501V31.1Very low30.3Very low139 Ų139133.2 Ų133.284%0.84274%0.739SS**  76.6136.654.9175.80000111.8
502E32.6Very low30.5Very low159 Ų159134.5 Ų134.574%0.74375%0.746SS**  cis-107.7178.86.7-63.3-175.191.500112.7
503S27Very low30.6Very low102 Ų102133.7 Ų133.771%0.71375%0.747SS**  cis90.4136.19.2-46.50000118.4
504I32.7Very low30.9Very low136 Ų136133.2 Ų133.270%0.69774%0.744SS**  trans167.2130154.9-92.8160.1000113.6
505N29.2Very low30.9Very low137 Ų137132.1 Ų132.173%0.73374%0.737SS**  trans58.5155.7154.9-68.94.1000122.1
506I32.7Very low31.5Very low114 Ų114128.9 Ų128.959%0.58573%0.73SS**  cis-163.1163-11.8-112170.5000109.9
507E30.6Very low31.7Very low174 Ų174128.7 Ų128.781%0.81373%0.729SS**  trans61.5169.2164.4-83.8146.4-14500118.6
508S31.2Very low32Very low88 Ų88130.5 Ų130.562%0.61574%0.735SS**  cis-167.1163.2-43.3-103.30000111.1
509E28.5Very low32.3Very low170 Ų170127 Ų12779%0.79473%0.734SS**  trans37.4153.8142.3-62.5170.8116.800124.8
510S30.2Very low32.3Very low107 Ų107120.8 Ų120.875%0.74872%0.724SS**  trans66.9135.7152.946.30000119.2
511S26.8Very low32.4Very low96 Ų96126.2 Ų126.267%0.67174%0.737SS**  cis88.1129.338-58.90000114.2
512D31.9Very low32.3Very low157 Ų157127.3 Ų127.384%0.8474%0.739SS**  trans63.3154.1159.7-38.8-36000116.1
513D31.9Very low32.9Very low138 Ų138124.8 Ų124.874%0.73874%0.736SS**  cis-153.7173.7-10-14911.4000106.1
514H35.8Very low32.9Very low144 Ų144124.8 Ų124.867%0.66774%0.736SS**  cis-151.1177.65.6-165.660.6000111.6
515S31.1Very low32.6Very low80 Ų80123.3 Ų123.356%0.55974%0.736SS**  trans-81.6179171.471.60000114.2
516P42.3Very low32.4Very low103 Ų103124.3 Ų124.367%0.66974%0.741SS**  -148.615093.639.1-23000116.8
517T36.7Very low32.1Very low124 Ų124123.7 Ų123.776%0.76175%0.746SS**  trans57139.614957.30000120
518D34.5Very low31.9Very low157 Ų157123.2 Ų123.284%0.8475%0.749SS**  cis-154.5151.611.3-148.5-17.2000112.6
519G35.2Very low31.7Very low75 Ų75123.8 Ų123.877%0.77375%0.753SS**  trans53.6122.2165.600000121.4
520G33Very low31.7Very low73 Ų73127.8 Ų127.875%0.75376%0.761SS**  cis165.8149-8.800000115.3
521L36.3Very low31.5Very low178 Ų178125.6 Ų125.693%0.93276%0.755SS**  trans72.769.5156.4-52.2-175.5000121
522D28.6Very low31.6Very low162 Ų162129.1 Ų129.187%0.86676%0.761SS**  10.6165.2113.3-98.15.5000123.5
523P44.8Very low31.5Very low105 Ų105127.6 Ų127.668%0.68275%0.753SS**  trans-140.2-163.6-140.242.8-21.8000116.9
524S27.9Very low31.5Very low102 Ų102128.2 Ų128.271%0.71375%0.754SS**  trans96.4145143.781.60000122.2
525C25.8Very low31.2Very low105 Ų105127.4 Ų127.471%0.70976%0.76SS**  trans68.5113.7152.277.20000123.1
526L24.8Very low31.1Very low159 Ų159127.8 Ų127.883%0.83276%0.762SS**  trans73.1117.1132.5-64172.4000122.3
527S25.9Very low30.2Very low100 Ų100129.2 Ų129.270%0.69976%0.764SS**  trans87.2145.4138-59.40000120.5
528L27.9Very low29.9Very low164 Ų164133.2 Ų133.286%0.85977%0.767SS**  trans67.8157.4175.1-61.8118.3000116.6
529S26.6Very low29.4Very low101 Ų101130.8 Ų130.871%0.70676%0.762SS**  cis177.9127.7-41.1-99.80000108.3
530R27.1Very low29.1Very low254 Ų254131.3 Ų131.396%0.95876%0.759SS**  trans61.9150.9-175.9-68.5172.5152.6129.9-7.8114.4
531G27.5Very low28.7Very low61 Ų61134.7 Ų134.763%0.62976%0.759SS**  cis152.9164.1-7.100000111.8
532Q29.1Very low28.5Very low169 Ų169133.4 Ų133.479%0.7975%0.748SS**  trans69.4143.9170.7-65.4-173.5-10800115.9
533D28.1Very low28.5Very low125 Ų125132.1 Ų132.167%0.66874%0.741SS**  cis-136.3170.2-7.3-86.1-36.7000107.5
534I31.9Very low27.9Very low151 Ų151132.3 Ų132.377%0.77475%0.745SS**  -165.5124.665.1-80.4175000110.4
535V30.1Very low28Very low128 Ų128132.9 Ų132.978%0.77675%0.749SS**  trans44.8137.6133.3-174.80000120
536S29.1Very low28.2Very low88 Ų88131.4 Ų131.462%0.61575%0.751SS**  cis-173.5149.7-20.5-103.40000110.1
537D24.2Very low28.5Very low133 Ų133131.7 Ų131.771%0.71175%0.753SS**  trans44.3164.5138.6-55.3-61000124.7
538Y28.8Very low28.7Very low208 Ų208135.8 Ų135.882%0.81676%0.759SS**  trans79.792.1164.7-64.7-78000120.4
539S25.2Very low28.7Very low106 Ų106132.6 Ų132.674%0.74175%0.75SS**  60.5141.1107.9-59.10000123
540A28.2Very low29.1Very low85 Ų85137.4 Ų137.470%0.70276%0.762SS**  trans84.7131148.600000120
541L25.4Very low29.2Very low145 Ų145129.6 Ų129.676%0.75975%0.751SS**  trans39.5116136.3-52.7169.7000117
542H30.6Very low29.5Very low150 Ų150134.7 Ų134.769%0.69476%0.762SS**  -174.9160.175.7-99.3-74.4000113.1
543N29.5Very low29.4Very low136 Ų136132.9 Ų132.973%0.72776%0.758SS**  trans18.9141.1130.9-53.1-1000118.9
544S31.5Very low29.8Very low109 Ų109132.1 Ų132.176%0.76276%0.76SS**  cis-166176.89.434.20000112.4
545S29.9Very low29.7Very low114 Ų114129.7 Ų129.780%0.79775%0.752SS**  trans-35.6148.9162.350.10000115.5
546G30.5Very low29.7Very low73 Ų73131 Ų13175%0.75375%0.754SS**  cis131.61604.300000111.4
547D32Very low29.5Very low165 Ų165132.1 Ų132.188%0.88276%0.761SS**  trans-159.8175.3166.7-137.5-32.7000114.5
548F29.8Very low29.6Very low186 Ų186131 Ų13182%0.81676%0.763SS**  trans-97135.9-157.7-101.3-118.1000118
549S28.1Very low29.5Very low97 Ų97127.1 Ų127.168%0.67876%0.761SS**  trans49.6118.1132.1-58.50000122.5
550Q34.1Very low29.9Very low203 Ų203128 Ų12895%0.94977%0.765SS**  -150.6169.8120.1-114.5177.138.400112.1
551A29.5Very low30Very low89 Ų89133 Ų13374%0.73677%0.774SS**  trans-68.9160.2-166.700000113.7
552I32.8Very low30.4Very low168 Ų168130.6 Ų130.686%0.86278%0.775SS**  -147.8143.969.9-78.8159.5000112.3
553N28.1Very low30.2Very low131 Ų131131.3 Ų131.370%0.70178%0.784SS**  trans-107.1166.2170-116.5-44000109.2T555N553-T555 PolarHBondContact OD1-OG1 3.42Å
554P36.8Very low30.2Very low109 Ų109135.1 Ų135.171%0.70879%0.788SS**  cis-131.2165.236.940.3-22.2000115.2
555T29.6Very low29.8Very low100 Ų100135 Ų13561%0.61379%0.787SS**  54.2138.861.912.40000114.5N553N553-T555 PolarHBondContact OD1-OG1 3.42Å
556L29.2Very low29.9Very low156 Ų156139.1 Ų139.182%0.81779%0.786SS**  cis-132.1165.611.3-68.494.5000110.1
557C26Very low29.8Very low112 Ų112142.8 Ų142.876%0.75779%0.787SS**  cis84.7110.527.1-167.30000117.1
558S25.9Very low29.8Very low108 Ų108142.3 Ų142.376%0.75578%0.784SS**  trans168.9151.216336.10000110
559T27.4Very low29.6Very low127 Ų127136.1 Ų136.178%0.77977%0.773SS**  cis-167.8151.9-11.3240000109.1
560P32.6Very low29.7Very low125 Ų125138.6 Ų138.681%0.81278%0.778SS**  trans-99.7-178.3161.937.6-31.4000113.3
561E30.6Very low29.5Very low190 Ų190138.8 Ų138.889%0.88877%0.77SS**  trans-111.6163.6-146.4-66.3171.498.200119.6
562A33.7Very low29.4Very low95 Ų95141.9 Ų141.979%0.78577%0.774SS**  trans-2.5149.1157.300000123.7
563N26.8Very low29.3Very low165 Ų165141.7 Ų141.788%0.88277%0.773SS**  trans-61.6150.4167.7-63.7-84.1000114.6
564R29.6Very low29.4Very low215 Ų215140.2 Ų140.281%0.81177%0.772SS**  trans-146.8152.6144.7-133.8176.5-171.6178.74.8111.9
565S23.3Very low29Very low107 Ų107143.3 Ų143.375%0.74878%0.782SS**  trans-134.1143.8178.250.70000111
566Y31.5Very low29.1Very low200 Ų200141.3 Ų141.378%0.78478%0.781SS**  trans-144.7170.4169.6-83.6-66.4000109.7
567I29.1Very low29.2Very low150 Ų150140.8 Ų140.877%0.76978%0.779SS**  trans-138.5152.7-159.3-75.2175.2000110.4
568L30.8Very low29.5Very low156 Ų156142.3 Ų142.382%0.81778%0.778SS**  trans65.1142.5-175.2-93.280.2000114.9
569G25.6Very low29.6Very low56 Ų56141.3 Ų141.358%0.57777%0.768SS**  cis110.1108.9-17.500000116.3
570D30.6Very low29.7Very low149 Ų149145.5 Ų145.580%0.79777%0.771SS**  trans-149.1-173.9164.4-137.9-35.8000113.3
571R30.6Very low29.6Very low206 Ų206147.4 Ų147.478%0.77777%0.774SS**  trans-88.4162.9-158.4-79178.1159.3-169.6-6.1118.5
572L26.7Very low29.4Very low155 Ų155145 Ų14581%0.81276%0.763SS**  trans-58.8140.7162.6-75.8157.6000113.2
573I30.7Very low29.3Very low164 Ų164149.6 Ų149.684%0.84177%0.765SS**  trans-136.5138.7142.9-61.2-178.6000106.6
574C30.3Very low29.3Very low100 Ų100149.9 Ų149.968%0.67676%0.762SS**  trans-124.9137.8165.7-58.70000107.5
575D29.3Very low29.5Very low173 Ų173147.2 Ų147.293%0.92576%0.762SS**  trans-171.7149.8144.6-109-31.4000113.3
576G30.7Very low29.9Very low58 Ų58149.2 Ų149.260%0.59876%0.759SS**  trans87.1139.2169.100000117
577N30.6Very low29.7Very low145 Ų145146 Ų14678%0.77575%0.751SS**  cis-166.5145.1-5.1-118.8-13.7000112.7
578I32.3Very low29.8Very low144 Ų144147 Ų14774%0.73875%0.75SS**  trans66.3143.9139.1-69.7165.1000120.9
579T29.4Very low29.7Very low87 Ų87146.1 Ų146.153%0.53475%0.751SS.*  cis-165159.3-47.7-20.30000110
580Y29Very low30.2Very low216 Ų216148.8 Ų148.885%0.84776%0.758SS**  trans65.2151164.3-52-53.9000116.8
581D31Very low30.1Very low164 Ų164147.9 Ų147.988%0.87776%0.758SS**  cis-145.9-17939-161.22.5000113.8
582E26.6Very low29.9Very low140 Ų140144.9 Ų144.965%0.65476%0.758SS**  trans-128.3124.4-165.6-177.6-150.9139.400113.7
583K31.2Very low29.7Very low191 Ų191142.3 Ų142.383%0.8375%0.751SS**  trans-175.3165.5136.5-103.2145.6-162.3146.20116.8
584Q26.7Very low29.4Very low172 Ų172141.4 Ų141.480%0.80475%0.748SS**  trans-86.1163.1-169.4-53.7161.84.800113.5
585I33.3Very low29.2Very low158 Ų158142.2 Ų142.281%0.8175%0.75SS**  -167.7135.1124.2-102.9158.7000112.8
586H32.3Very low29Very low150 Ų150139.8 Ų139.869%0.69474%0.737SS**  trans54.6120.6163.4-87.2-104.7000123.5
587E28Very low28.8Very low132 Ų132145.9 Ų145.962%0.61775%0.748SS**  53.5143.6127.3-67.2-167.4117.600122
588K30.8Very low28.6Very low170 Ų170143.9 Ų143.974%0.73975%0.745SS**  cis-151.1161.616.7-128.6161.9-175.3104.90110.9
589T28.7Very low28.3Very low139 Ų139141.8 Ų141.885%0.85375%0.749SS**  trans-85.5160.9-175.124.60000115
590P34.9Very low28.3Very low111 Ų111141.1 Ų141.172%0.72176%0.759SS**  trans-103.8170.1-172.140-35.9000115.1
591T28.5Very low28.3Very low131 Ų131139.1 Ų139.180%0.80476%0.758SS**  trans-175.7148.2139.716.90000115.6
592N27.1Very low28.1Very low143 Ų143137.4 Ų137.477%0.76575%0.749SS**  trans63.6108145-78.54.6000125.4
593C23.4Very low28.3Very low100 Ų100140.2 Ų140.268%0.67676%0.759SS**  45.5129.9126.672.30000124.7
594N24Very low28.1Very low146 Ų146136.1 Ų136.178%0.78175%0.754SS**  36.2140.8127-58.323.3000120.6
595T26.6Very low28.1Very low116 Ų116137 Ų13771%0.71276%0.756SS**  cis-177.7169.11.725.50000106.1
596D24.7Very low27.6Very low123 Ų123137.2 Ų137.266%0.65875%0.753SS**  cis-161.9-164.37.7-141.6-73.9000110.4
597F25.9Very low27.4Very low186 Ų186135.2 Ų135.282%0.81676%0.763SS**  trans75.5142.8156.6-70.4-58000119.4
598S25.7Very low27Very low102 Ų102134.4 Ų134.471%0.71377%0.772SS**  cis-165.3166.7-8.7-161.80000114.2
599A27Very low26.8Very low100 Ų100132.3 Ų132.383%0.82677%0.773SS**  trans77.7137.5148.200000122.1
600G28.9Very low26.8Very low73 Ų73132.7 Ų132.775%0.75377%0.769SS**  trans165.349.1171.900000119.3
601E29.5Very low26.3Very low174 Ų174133 Ų13381%0.81377%0.774SS**  trans40.8151.1146.9-58.6-151.611000123.3
602N25.5Very low26.1Very low128 Ų128136 Ų13668%0.68478%0.777SS**  cis-171172.6-20.2-109.3-33.7000109.6
603K31Very low26.1Very low200 Ų200132.5 Ų132.587%0.8778%0.775SS**  trans87.8140.9174.6-56.8171.9-176.8173.50116.6
604S28Very low26.3Very low105 Ų105133 Ų13373%0.73478%0.775SS**  cis-167.7145.2-11.3490000114.9
605F25.5Very low26.6Very low190 Ų190131.3 Ų131.383%0.83377%0.774SS**  trans78.6163.5148.9-116.3-102.1000122.2
606E23.7Very low27.4Very low163 Ų163127.1 Ų127.176%0.76275%0.752SS**  trans-89151.4-150.1-53.1171.9117.900116.7
607A27.4Very low28.5Very low107 Ų107129.7 Ų129.788%0.88476%0.76SS**  -158.5138.2125.600000110
608S21.2Very low30.1Very low116 Ų116122.2 Ų122.281%0.81173%0.728SS**  trans-123.8122.9-177.7177.50000112.1
609V26.2Very low31.9Very low126 Ų126122.3 Ų122.376%0.76472%0.72SS**  trans-148125160.4178.60000110.5
610N27.2Very low33.6Very low146 Ų146122.4 Ų122.478%0.78171%0.713SS**  trans51.496.3159.3-59.4-11.8000120.3
611S25.2Very low35.4Very low118 Ų118121.8 Ų121.883%0.82570%0.697SS**  trans-86103.9153.8-177.10000111
612F24.6Very low37.4Very low193 Ų193114.4 Ų114.485%0.84666%0.663SS**  trans-151.160.2165.6-96.1-69.8000110.8T614F612-T614 PolarHBondContact O-N 3.47Å
613G27.7Very low39.4Very low71 Ų71111.2 Ų111.273%0.73265%0.645SS**  trans-75.785.5-179.900000113.5S615G613-S615 VanDerWaalsContact C-N 3.32Å; G613-S615 PolarHBondContact O-N 2.86Å; G613-S615 VanDerWaalsContact O-N 3.13Å
614T27.8Very low41.2Very low111 Ų111109 Ų10968%0.68164%0.638SS**  trans-84.169.5173.343.70000111.8F612 A616F612-T614 PolarHBondContact O-N 3.47Å; T614-A616 VanDerWaalsContact C-N 3.28Å; T614-A616 PolarHBondContact O-N 2.83Å
615S30Very low43.3Very low109 Ų109108.8 Ų108.876%0.76262%0.624SS**  trans-71.478.8176-59.50000111.9G613 E617G613-S615 VanDerWaalsContact C-N 3.32Å; G613-S615 PolarHBondContact O-N 2.86Å; G613-S615 VanDerWaalsContact O-N 3.13Å; S615-E617 PolarHBondContact O-N 2.89Å; S615-E617 VanDerWaalsContact O-N 3.12Å
616A43.5Very low45.7Very low29 Ų2999.8 Ų99.824%0.2459%0.585CS.*  trans-8135.8171.200000112.4T614 L841T614-A616 VanDerWaalsContact C-N 3.28Å; T614-A616 PolarHBondContact O-N 2.83Å; A616-L841 HydrophobicContact CB-CD2 4.17Å
617E47Very low48.1Very low176 Ų17695.1 Ų95.182%0.82257%0.574SS**  trans-79.7144.3176.7-166.7161.9-160.600110S615S615-E617 PolarHBondContact O-N 2.89Å; S615-E617 VanDerWaalsContact O-N 3.12Å
618I60.1Low50.4Low30 Ų3096.7 Ų96.715%0.15457%0.568CS.*  trans-93.5119-173.9-63.6172.2000108.3L650 R844 V848I618-L650 HydrophobicContact CD1-CD1 4.5Å; I618-L650 HydrophobicContact CD1-CD2 4.24Å; I618-R844 HydrophobicContact CD1-CG 4.25Å; I618-V848 HydrophobicContact CD1-CG2 4.35Å; I618-V848 HydrophobicContact CG2-CG1 4.08Å
619D62.3Low53.4Low103 Ų10391.2 Ų91.255%0.55153%0.529SS*.  trans-45121.4177.5-79.6-44.4000111.8S621 N622D619-S621 PolarHBondContact O-N 2.85Å; D619-N622 HydrophobicContact CB-CB 4.43Å; D619-N622 WeakPolarHBondContact O-CB 3.35Å; D619-N622 PolarHBondContact O-N 2.9Å
620P62.4Low56.4Low103 Ų10385.5 Ų85.567%0.66950%0.495SS*.Hα-helixtrans-62.3-30.9-176.422.3-32.4000112.4N622 L623 E624P620-N622 PolarHBondContact O-N 3.07Å; P620-N622 VanDerWaalsContact O-N 3.11Å; P620-L623 WeakPolarHBondContact O-CB 3.21Å; P620-L623 PolarHBondContact O-N 3Å; P620-E624 PolarHBondContact O-N 3.34Å
621S68.5Low59.5Low59 Ų5978.6 Ų78.641%0.41346%0.458SS..Hα-helixtrans-62-16.8174.475.60000114D619 K625D619-S621 PolarHBondContact O-N 2.85Å; S621-K625 WeakPolarHBondContact O-CD 3.4Å; S621-K625 WeakPolarHBondContact O-CE 3.36Å; S621-K625 WeakPolarHBondContact O-CG 3.44Å; S621-K625 PolarHBondContact O-NZ 3.08Å
622N69.8Low62.6Low19 Ų1973 Ų7310%0.10242%0.419CS..Hα-helixtrans-86.5-22.8173.8-73.5-28.8000112.7D619 P620 K625 V852D619-N622 HydrophobicContact CB-CB 4.43Å; D619-N622 WeakPolarHBondContact O-CB 3.35Å; D619-N622 PolarHBondContact O-N 2.9Å; P620-N622 PolarHBondContact O-N 3.07Å; P620-N622 VanDerWaalsContact O-N 3.11Å; N622-K625 PolarHBondContact OD1-NZ 3.19Å; N622-V852 HydrophobicContact CB-CG2 4.18Å
623L69.2Low65.7Low61 Ų6163.8 Ų63.832%0.31938%0.378SS..Hα-helixtrans-76.9-39.8178-169.167000112P620 K625 L626 A627 L650 L652P620-L623 WeakPolarHBondContact O-CB 3.21Å; P620-L623 PolarHBondContact O-N 3Å; L623-K625 VanDerWaalsContact C-N 3.26Å; L623-K625 PolarHBondContact O-N 3.35Å; L623-L626 WeakPolarHBondContact O-CB 3.44Å; L623-L626 PolarHBondContact O-N 2.84Å; L623-A627 PolarHBondContact O-N 2.68Å; L623-L650 HydrophobicContact CD1-CB 4.31Å; L623-L652 HydrophobicContact CD1-CD2 3.75Å; L623-L652 HydrophobicContact CD1-CG 4.15Å
624E69Low68.4Low154 Ų15460.5 Ų60.572%0.7234%0.344SS*.Hα-helixtrans-57.2-39.4176.4-65-173.8135.600112.4P620 L626 A627P620-E624 PolarHBondContact O-N 3.34Å; E624-L626 PolarHBondContact O-N 2.79Å; E624-L626 VanDerWaalsContact O-N 3.07Å; E624-A627 WeakPolarHBondContact O-CB 3.26Å; E624-A627 PolarHBondContact O-N 2.93Å; E624-A627 VanDerWaalsContact O-N 3.1Å
625K70.2Confident70.9Confident100 Ų10055.7 Ų55.744%0.43532%0.315SS..Hα-helixtrans-60.2-19176.5-63167.7-166.1150.60113.1S621 N622 L623 V852 T856S621-K625 WeakPolarHBondContact O-CD 3.4Å; S621-K625 WeakPolarHBondContact O-CE 3.36Å; S621-K625 WeakPolarHBondContact O-CG 3.44Å; S621-K625 PolarHBondContact O-NZ 3.08Å; N622-K625 PolarHBondContact OD1-NZ 3.19Å; L623-K625 VanDerWaalsContact C-N 3.26Å; L623-K625 PolarHBondContact O-N 3.35Å; K625-V852 HydrophobicContact CD-CG1 4.04Å; K625-T856 HydrophobicContact CD-CG2 4.18Å
626L77.8Confident73.1Confident2 Ų254 Ų541%0.0129%0.294CS..Hα-helixtrans-102-10.9-179.8-55.3-174.9000113.7L623 E624 N628 V629 F631 L652 V848 I851 V852 L855L623-L626 WeakPolarHBondContact O-CB 3.44Å; L623-L626 PolarHBondContact O-N 2.84Å; E624-L626 PolarHBondContact O-N 2.79Å; E624-L626 VanDerWaalsContact O-N 3.07Å; L626-N628 VanDerWaalsContact C-N 3.25Å; L626-N628 PolarHBondContact O-N 3.06Å; L626-V629 WeakPolarHBondContact O-CB 3.2Å; L626-V629 PolarHBondContact O-N 2.99Å; L626-F631 HydrophobicContact CB-CE2 4.26Å; L626-F631 HydrophobicContact CB-CZ 4.3Å; L626-F631 HydrophobicContact CD1-CZ 4.29Å; L626-F631 HydrophobicContact CD2-CZ 4.22Å; L626-L652 HydrophobicContact CB-CD2 3.67Å; L626-L652 HydrophobicContact CD1-CD1 4.41Å; L626-L652 HydrophobicContact CD1-CD2 4.41Å; L626-V848 HydrophobicContact CD1-CG1 4.42Å; L626-I851 HydrophobicContact CD1-CG2 4.35Å; L626-I851 HydrophobicContact CD2-CG2 4.05Å; L626-V852 HydrophobicContact CD1-CG2 3.97Å; L626-V852 HydrophobicContact CD2-CG2 3.83Å; L626-V852 HydrophobicContact CG-CG2 4Å; L626-L855 HydrophobicContact CD2-CD1 3.52Å
627A73.1Confident74.4Confident65 Ų6554.7 Ų54.754%0.53729%0.292SS..Hα-helixtrans-59-35.2-175.900000113.1L623 E624 V629L623-A627 PolarHBondContact O-N 2.68Å; E624-A627 WeakPolarHBondContact O-CB 3.26Å; E624-A627 PolarHBondContact O-N 2.93Å; E624-A627 VanDerWaalsContact O-N 3.1Å; A627-V629 VanDerWaalsContact C-N 3.27Å; A627-V629 PolarHBondContact O-N 2.99Å
628N75.6Confident75.4Confident140 Ų14051.2 Ų51.275%0.74927%0.274SS*.THydrogen-bonded Turntrans-87.215.4178.3-66.1-6.4000113.5L626L626-N628 VanDerWaalsContact C-N 3.25Å; L626-N628 PolarHBondContact O-N 3.06Å
629V84.3Confident76.2Confident1 Ų150 Ų501%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-115.5126.9-177.5-174.60000110.5L626 A627 F631 K688 C690 L855L626-V629 WeakPolarHBondContact O-CB 3.2Å; L626-V629 PolarHBondContact O-N 2.99Å; A627-V629 VanDerWaalsContact C-N 3.27Å; A627-V629 PolarHBondContact O-N 2.99Å; V629-F631 HydrophobicContact CB-CD2 4.44Å; V629-F631 HydrophobicContact CB-CE2 3.77Å; V629-F631 HydrophobicContact CB-CZ 4.08Å; V629-F631 HydrophobicContact CG1-CD2 4.24Å; V629-F631 HydrophobicContact CG1-CE1 4.25Å; V629-F631 HydrophobicContact CG1-CE2 3.78Å; V629-F631 HydrophobicContact CG1-CZ 3.79Å; V629-F631 WeakPolarHBondContact O-CD2 3.22Å; V629-K688 HydrophobicContact CB-CB 4.46Å; V629-K688 HydrophobicContact CG1-CB 4.29Å; V629-K688 HydrophobicContact CG2-CB 4.05Å; V629-K688 HydrophobicContact CG2-CD 4.05Å; V629-C690 HydrophobicContact CG1-CB 3.8Å; V629-L855 HydrophobicContact CG1-CD1 4.3Å; V629-L855 HydrophobicContact CG2-CD1 4.26Å
630T88.5Confident77.1Confident6 Ų645.1 Ų45.14%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-89.5119.7173.5-60.20000109.9F655 L670 K688 I689 C690T630-F655 HydrophobicContact CG2-CD2 3.69Å; T630-F655 HydrophobicContact CG2-CE2 3.64Å; T630-L670 HydrophobicContact CG2-CD1 4.2Å; T630-L670 HydrophobicContact CG2-CD2 4.32Å; T630-K688 PolarHBondContact N-O 3.28Å; T630-I689 CarbonylContact O-C 3.44Å; T630-I689 WeakPolarHBondContact O-CA 3.49Å; T630-C690 PolarHBondContact O-N 3.22Å
631F91.9Very high78.1Confident1 Ų146.4 Ų46.40%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-98.8136.1180-67.5-91.4000111.3L626 V629 L652 R653 L654 F655 C690 L692 I851 L855L626-F631 HydrophobicContact CB-CE2 4.26Å; L626-F631 HydrophobicContact CB-CZ 4.3Å; L626-F631 HydrophobicContact CD1-CZ 4.29Å; L626-F631 HydrophobicContact CD2-CZ 4.22Å; V629-F631 HydrophobicContact CB-CD2 4.44Å; V629-F631 HydrophobicContact CB-CE2 3.77Å; V629-F631 HydrophobicContact CB-CZ 4.08Å; V629-F631 HydrophobicContact CG1-CD2 4.24Å; V629-F631 HydrophobicContact CG1-CE1 4.25Å; V629-F631 HydrophobicContact CG1-CE2 3.78Å; V629-F631 HydrophobicContact CG1-CZ 3.79Å; V629-F631 WeakPolarHBondContact O-CD2 3.22Å; F631-L652 HydrophobicContact CD2-CB 4.41Å; F631-L652 HydrophobicContact CE2-CD1 4.19Å; F631-L652 HydrophobicContact CE2-CD2 4.3Å; F631-R653 PolarHBondContact N-O 3.2Å; F631-L654 HydrophobicContact CB-CD1 3.51Å; F631-L654 HydrophobicContact CG-CD1 4.47Å; F631-F655 PolarHBondContact O-N 3.25Å; F631-C690 CarbonylContact C-O 3.5Å; F631-C690 WeakPolarHBondContact CA-O 3.37Å; F631-C690 HydrophobicContact CD1-CB 3.56Å; F631-C690 HydrophobicContact CE1-CB 3.72Å; F631-C690 HydrophobicContact CG-CB 4.29Å; F631-L692 HydrophobicContact CD1-CD1 3.81Å; F631-I851 HydrophobicContact CE1-CG2 3.89Å; F631-I851 HydrophobicContact CZ-CG2 4.12Å; F631-L855 HydrophobicContact CZ-CD1 4.4Å
632I91.9Very high78.7Confident0 Ų046 Ų460%023%0.23CC..EExtended strand (participates in β ladder)trans-123.4115.1176.8-56.8168.9000107.8F655 V657 M663 I689 C690 L692 L697 V701I632-F655 WeakPolarHBondContact CA-O 3.49Å; I632-V657 HydrophobicContact CG2-CB 4.34Å; I632-V657 HydrophobicContact CG2-CG2 3.74Å; I632-M663 HydrophobicContact CD1-CE 3.6Å; I632-M663 HydrophobicContact CD1-SD 4.25Å; I632-M663 HydrophobicContact CG1-CE 4.48Å; I632-M663 HydrophobicContact CG2-SD 3.97Å; I632-I689 HydrophobicContact CD1-CG2 3.41Å; I632-I689 VanDerWaalsContact CD1-CG2 3.41Å; I632-I689 HydrophobicContact CG1-CG2 4.13Å; I632-C690 PolarHBondContact N-O 3.38Å; I632-L692 PolarHBondContact O-N 2.84Å; I632-L697 HydrophobicContact CG2-CD1 4.15Å; I632-L697 HydrophobicContact CG2-CD2 4.36Å; I632-V701 HydrophobicContact CD1-CG2 4.43Å; I632-V701 HydrophobicContact CG2-CG2 4.38Å
633V90.2Very high79.5Confident0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-111.1134.6176.4-1750000110.1G640 V643 F644 L654 F655 N656 V657 L692V633-G640 VanDerWaalsContact CG1-O 3.26Å; V633-G640 WeakPolarHBondContact CG1-O 3.44Å; V633-V643 HydrophobicContact CG1-CG1 4.43Å; V633-V643 HydrophobicContact CG2-CG1 4.32Å; V633-F644 HydrophobicContact CB-CB 4.4Å; V633-F644 HydrophobicContact CB-CD2 4.42Å; V633-F644 HydrophobicContact CG1-CB 4.02Å; V633-L654 HydrophobicContact CG2-CD1 3.63Å; V633-F655 PolarHBondContact N-O 3.31Å; V633-N656 WeakPolarHBondContact O-CA 3.49Å; V633-V657 PolarHBondContact O-N 3.26Å; V633-L692 WeakPolarHBondContact CA-O 3.43Å; V633-L692 HydrophobicContact CG2-CB 3.9Å; V633-L692 HydrophobicContact CG2-CD1 3.79Å
634G83.8Confident80.4Confident1 Ų145.2 Ų45.21%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-99.5112.6176.100000112F636 V657 L692G634-F636 PolarHBondContact O-N 3.22Å; G634-F636 VanDerWaalsContact O-N 3.12Å; G634-V657 WeakPolarHBondContact CA-O 3.34Å; G634-L692 PolarHBondContact N-O 2.75Å
635S80.4Confident81.1Confident10 Ų1040.7 Ų40.77%0.0721%0.209CC..THydrogen-bonded Turntrans-81.519.8178.3-60.90000114.2E637 K641 N656 N658S635-E637 VanDerWaalsContact C-N 3.27Å; S635-E637 PolarHBondContact O-N 2.74Å; S635-K641 WeakPolarHBondContact O-CE 3Å; S635-N656 WeakPolarHBondContact CB-OD1 3.17Å; S635-N656 VanDerWaalsContact OG-CG 3.24Å; S635-N656 PolarHBondContact OG-ND2 3.17Å; S635-N656 PolarHBondContact OG-OD1 3.4Å; S635-N658 VanDerWaalsContact CB-OD1 3.29Å; S635-N658 WeakPolarHBondContact CB-OD1 3.1Å
636F75.3Confident81.8Confident75 Ų7536 Ų3633%0.32919%0.188SC..THydrogen-bonded Turntrans-61.6-36.1170.6-56.2-73000112.2G634 V657 N658 L696 L697 L700G634-F636 PolarHBondContact O-N 3.22Å; G634-F636 VanDerWaalsContact O-N 3.12Å; F636-V657 WeakPolarHBondContact CE2-O 3.39Å; F636-N658 WeakPolarHBondContact CE1-O 3.46Å; F636-N658 WeakPolarHBondContact CZ-O 3.27Å; F636-L696 HydrophobicContact CB-CD2 3.91Å; F636-L696 HydrophobicContact CD1-CD2 3.73Å; F636-L696 HydrophobicContact CD1-CG 4.5Å; F636-L696 HydrophobicContact CD2-CD2 4.27Å; F636-L696 HydrophobicContact CD2-CG 4.4Å; F636-L696 HydrophobicContact CE1-CD2 4.35Å; F636-L696 HydrophobicContact CG-CD2 3.7Å; F636-L696 HydrophobicContact CG-CG 4.31Å; F636-L697 HydrophobicContact CE2-CD1 4.17Å; F636-L700 HydrophobicContact CE2-CD2 4.14Å; F636-L700 HydrophobicContact CZ-CD1 4.26Å; F636-L700 HydrophobicContact CZ-CD2 3.59Å
637E70.3Confident82.2Confident42 Ų4236 Ų3620%0.19619%0.188CC..SBendtrans-102.8155-176.4-66.1157.4-138.700111.1S635 S639 G640 G694S635-E637 VanDerWaalsContact C-N 3.27Å; S635-E637 PolarHBondContact O-N 2.74Å; E637-S639 VanDerWaalsContact C-N 3.28Å; E637-S639 WeakPolarHBondContact CB-OG 3.46Å; E637-S639 PolarHBondContact O-N 3.2Å; E637-S639 PolarHBondContact OE2-OG 3.16Å; E637-G640 PolarHBondContact O-N 3.09Å; E637-G694 WeakPolarHBondContact OE1-CA 3.38Å; E637-G694 PolarHBondContact OE1-N 2.81Å
638K69.6Low82.7Confident104 Ų10436 Ų3645%0.45219%0.185SC..Hα-helixtrans-60-40.3175.7-71.2-172.6177.5-175.50111.4K641 D830K638-K641 PolarHBondContact O-N 3.26Å; K638-D830 IonicContact NZ-OD1 2.89Å
639S75.6Confident83Confident5 Ų534.3 Ų34.34%0.03517%0.172CC..Hα-helixtrans-57-45.6174.245.10000112.6E637 K641 I642 V643 I727E637-S639 VanDerWaalsContact C-N 3.28Å; E637-S639 WeakPolarHBondContact CB-OG 3.46Å; E637-S639 PolarHBondContact O-N 3.2Å; E637-S639 PolarHBondContact OE2-OG 3.16Å; S639-K641 VanDerWaalsContact C-N 3.27Å; S639-K641 PolarHBondContact O-N 2.92Å; S639-I642 PolarHBondContact O-N 3.42Å; S639-I642 VanDerWaalsContact O-N 3.1Å; S639-V643 WeakPolarHBondContact O-CG2 3.37Å; S639-V643 PolarHBondContact O-N 2.92Å; S639-I727 WeakPolarHBondContact CB-O 3.47Å; S639-I727 PolarHBondContact OG-O 3.31Å
640G82.5Confident82.6Confident0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-58.1-35.4179.700000114V633 E637 F644 I727V633-G640 VanDerWaalsContact CG1-O 3.26Å; V633-G640 WeakPolarHBondContact CG1-O 3.44Å; E637-G640 PolarHBondContact O-N 3.09Å; G640-F644 VanDerWaalsContact O-CB 3.24Å; G640-F644 WeakPolarHBondContact O-CB 3.44Å; G640-F644 PolarHBondContact O-N 3.49Å; G640-I727 VanDerWaalsContact CA-CD1 3.47Å
641K82.4Confident82.2Confident129 Ų12942.9 Ų42.956%0.56122%0.218SC*.Hα-helixtrans-69.4-39.5176.3-65.5-179.7-174.3-178.30112.3S635 K638 S639 S645S635-K641 WeakPolarHBondContact O-CE 3Å; K638-K641 PolarHBondContact O-N 3.26Å; S639-K641 VanDerWaalsContact C-N 3.27Å; S639-K641 PolarHBondContact O-N 2.92Å; K641-S645 PolarHBondContact O-N 2.8Å; K641-S645 VanDerWaalsContact O-N 3.13Å
642I82Confident81.8Confident52 Ų5244.1 Ų44.127%0.26722%0.224SC..Hα-helixtrans-66.9-49.9176.5-59.4167.9000109.7S639 F644 S645 L646 I734 L840S639-I642 PolarHBondContact O-N 3.42Å; S639-I642 VanDerWaalsContact O-N 3.1Å; I642-F644 VanDerWaalsContact C-N 3.33Å; I642-F644 PolarHBondContact O-N 2.92Å; I642-S645 WeakPolarHBondContact O-CB 3.32Å; I642-S645 PolarHBondContact O-N 3.05Å; I642-L646 HydrophobicContact CG2-CD1 4.07Å; I642-L646 HydrophobicContact CG2-CG 4.47Å; I642-L646 WeakPolarHBondContact O-CG 3.49Å; I642-L646 PolarHBondContact O-N 3.43Å; I642-I734 HydrophobicContact CD1-CD1 4.25Å; I642-L840 HydrophobicContact CG2-CD1 4.07Å
643V85.3Confident81.5Confident3 Ų348.1 Ų48.12%0.01824%0.24CC..Hα-helixtrans-60.8-40.1178.1171.60000111.8V633 S639 L646 L647 L692 I727 L730 L847V633-V643 HydrophobicContact CG1-CG1 4.43Å; V633-V643 HydrophobicContact CG2-CG1 4.32Å; S639-V643 WeakPolarHBondContact O-CG2 3.37Å; S639-V643 PolarHBondContact O-N 2.92Å; V643-L646 PolarHBondContact O-N 2.97Å; V643-L647 HydrophobicContact CG1-CD1 3.78Å; V643-L647 HydrophobicContact CG1-CG 4.37Å; V643-L647 WeakPolarHBondContact O-CB 3.23Å; V643-L647 WeakPolarHBondContact O-CG 3.38Å; V643-L647 PolarHBondContact O-N 3.32Å; V643-L692 HydrophobicContact CG1-CD1 4.26Å; V643-L692 HydrophobicContact CG1-CD2 4.37Å; V643-I727 HydrophobicContact CG2-CG2 4.24Å; V643-L730 HydrophobicContact CG2-CD1 3.58Å; V643-L847 HydrophobicContact CG1-CD2 4.2Å; V643-L847 HydrophobicContact CG2-CD2 4.16Å
644F87.9Confident81.5Confident60 Ų6049.7 Ų49.726%0.26325%0.248SC..Hα-helixtrans-63.1-44.1175.4-179.8-102.4000112V633 G640 I642 L647 S648 L654 N656V633-F644 HydrophobicContact CB-CB 4.4Å; V633-F644 HydrophobicContact CB-CD2 4.42Å; V633-F644 HydrophobicContact CG1-CB 4.02Å; G640-F644 VanDerWaalsContact O-CB 3.24Å; G640-F644 WeakPolarHBondContact O-CB 3.44Å; G640-F644 PolarHBondContact O-N 3.49Å; I642-F644 VanDerWaalsContact C-N 3.33Å; I642-F644 PolarHBondContact O-N 2.92Å; F644-L647 PolarHBondContact O-N 2.98Å; F644-S648 VanDerWaalsContact O-CB 3.23Å; F644-S648 WeakPolarHBondContact O-CB 3.36Å; F644-S648 PolarHBondContact O-N 3.48Å; F644-S648 PolarHBondContact O-OG 3.5Å; F644-L654 HydrophobicContact CD2-CD2 3.57Å; F644-L654 HydrophobicContact CD2-CG 3.9Å; F644-L654 HydrophobicContact CE2-CD2 3.57Å; F644-L654 HydrophobicContact CE2-CG 3.79Å; F644-N656 WeakPolarHBondContact CD1-ND2 3.45Å; F644-N656 HydrophobicContact CD2-CB 3.82Å; F644-N656 HydrophobicContact CE1-CB 4.44Å; F644-N656 HydrophobicContact CE2-CB 3.61Å; F644-N656 HydrophobicContact CG-CB 4.36Å; F644-N656 WeakPolarHBondContact CG-ND2 3.01Å; F644-N656 HydrophobicContact CZ-CB 3.94Å
645S83.6Confident81.8Confident58 Ų5851.3 Ų51.341%0.40625%0.254SS..Hα-helixtrans-58.3-54.2175.7-159.80000110.9K641 I642 L647 S648 E649K641-S645 PolarHBondContact O-N 2.8Å; K641-S645 VanDerWaalsContact O-N 3.13Å; I642-S645 WeakPolarHBondContact O-CB 3.32Å; I642-S645 PolarHBondContact O-N 3.05Å; S645-L647 VanDerWaalsContact C-N 3.31Å; S645-L647 PolarHBondContact O-N 2.97Å; S645-S648 PolarHBondContact O-N 3.19Å; S645-S648 PolarHBondContact O-OG 2.98Å; S645-E649 PolarHBondContact O-N 3.26Å
646L84.9Confident82.3Confident1 Ų153.1 Ų53.11%0.00526%0.264CS..Hα-helixtrans-56.3-38.6-178.9-77.1179.7000114.5I642 V643 L840 L843 R844I642-L646 HydrophobicContact CG2-CD1 4.07Å; I642-L646 HydrophobicContact CG2-CG 4.47Å; I642-L646 WeakPolarHBondContact O-CG 3.49Å; I642-L646 PolarHBondContact O-N 3.43Å; V643-L646 PolarHBondContact O-N 2.97Å; L646-L840 HydrophobicContact CD1-CD1 4.05Å; L646-L840 HydrophobicContact CD2-CD1 3.51Å; L646-L840 HydrophobicContact CD2-CD2 4.48Å; L646-L840 HydrophobicContact CD2-CG 3.56Å; L646-L840 WeakPolarHBondContact CD2-O 3.12Å; L646-L840 HydrophobicContact CG-CD1 3.87Å; L646-L840 HydrophobicContact CG-CG 4.45Å; L646-L843 HydrophobicContact CD1-CB 4.5Å; L646-L843 HydrophobicContact CD1-CD2 4Å; L646-L843 HydrophobicContact CD1-CG 4.39Å; L646-R844 HydrophobicContact CB-CG 4.3Å; L646-R844 HydrophobicContact CD2-CB 3.86Å; L646-R844 HydrophobicContact CD2-CG 4.04Å; L646-R844 WeakPolarHBondContact O-CD 3.31Å
647L86.1Confident82.9Confident2 Ų249.6 Ų49.61%0.0125%0.248CC..Hα-helixtrans-87.8-15.4179.6-64.1178.3000112.9V643 F644 S645 E649 L650 L652 L654 L692 V848 I851V643-L647 HydrophobicContact CG1-CD1 3.78Å; V643-L647 HydrophobicContact CG1-CG 4.37Å; V643-L647 WeakPolarHBondContact O-CB 3.23Å; V643-L647 WeakPolarHBondContact O-CG 3.38Å; V643-L647 PolarHBondContact O-N 3.32Å; F644-L647 PolarHBondContact O-N 2.98Å; S645-L647 VanDerWaalsContact C-N 3.31Å; S645-L647 PolarHBondContact O-N 2.97Å; L647-E649 VanDerWaalsContact C-N 3.35Å; L647-L650 HydrophobicContact CD2-CD1 4.08Å; L647-L650 PolarHBondContact O-N 3.14Å; L647-L652 HydrophobicContact CD2-CD1 4.5Å; L647-L654 HydrophobicContact CB-CD1 4.18Å; L647-L654 HydrophobicContact CB-CD2 3.77Å; L647-L654 HydrophobicContact CD1-CD1 4.4Å; L647-L692 HydrophobicContact CD1-CD1 3.44Å; L647-L692 VanDerWaalsContact CD1-CD1 3.44Å; L647-V848 HydrophobicContact CD2-CG2 4.24Å; L647-I851 HydrophobicContact CD1-CD1 4.49Å; L647-I851 HydrophobicContact CD2-CD1 4.48Å
648S84.9Confident83.7Confident67 Ų6751.3 Ų51.347%0.46926%0.258SS..Hα-helixtrans-77.8-19.7176.170.60000113.7F644 S645F644-S648 VanDerWaalsContact O-CB 3.23Å; F644-S648 WeakPolarHBondContact O-CB 3.36Å; F644-S648 PolarHBondContact O-N 3.48Å; F644-S648 PolarHBondContact O-OG 3.5Å; S645-S648 PolarHBondContact O-N 3.19Å; S645-S648 PolarHBondContact O-OG 2.98Å
649E81.4Confident84.5Confident103 Ų10347 Ų4748%0.48124%0.242SC..THydrogen-bonded Turntrans-71.9-20.4168.7-66.2163.5-158.100112.4S645 L647 R844S645-E649 PolarHBondContact O-N 3.26Å; L647-E649 VanDerWaalsContact C-N 3.35Å; E649-R844 WeakPolarHBondContact OE2-CD 3.25Å; E649-R844 IonicContact OE2-CZ 3.63Å; E649-R844 IonicContact OE2-NE 2.85Å; E649-R844 IonicContact OE2-NH1 3.8Å; E649-R844 PolarHBondContact OE2-NH1 2.83Å
650L76Confident85Confident22 Ų2248.8 Ų48.812%0.11525%0.251CS..THydrogen-bonded Turntrans-96137.1175.7-53.4178000107.9I618 L623 L647 L652 V848I618-L650 HydrophobicContact CD1-CD1 4.5Å; I618-L650 HydrophobicContact CD1-CD2 4.24Å; L623-L650 HydrophobicContact CD1-CB 4.31Å; L647-L650 HydrophobicContact CD2-CD1 4.08Å; L647-L650 PolarHBondContact O-N 3.14Å; L650-L652 HydrophobicContact CB-CD1 3.89Å; L650-L652 HydrophobicContact CB-CG 3.96Å; L650-L652 HydrophobicContact CD1-CD1 4.32Å; L650-L652 PolarHBondContact O-N 3.21Å; L650-V848 HydrophobicContact CD1-CG2 3.54Å
651N79.6Confident85.1Confident166 Ų16652.1 Ų52.189%0.88827%0.268SS*.THydrogen-bonded Turntrans-79.555.7-169.1-150.64.6000112.3
652L83.4Confident85.5Confident26 Ų2648.7 Ų48.714%0.13625%0.254CS..  trans-102.4160.2-169.2-67.7176.1000112.1L623 L626 F631 L647 L650 L654L623-L652 HydrophobicContact CD1-CD2 3.75Å; L623-L652 HydrophobicContact CD1-CG 4.15Å; L626-L652 HydrophobicContact CB-CD2 3.67Å; L626-L652 HydrophobicContact CD1-CD1 4.41Å; L626-L652 HydrophobicContact CD1-CD2 4.41Å; F631-L652 HydrophobicContact CD2-CB 4.41Å; F631-L652 HydrophobicContact CE2-CD1 4.19Å; F631-L652 HydrophobicContact CE2-CD2 4.3Å; L647-L652 HydrophobicContact CD2-CD1 4.5Å; L650-L652 HydrophobicContact CB-CD1 3.89Å; L650-L652 HydrophobicContact CB-CG 3.96Å; L650-L652 HydrophobicContact CD1-CD1 4.32Å; L650-L652 PolarHBondContact O-N 3.21Å; L652-L654 PolarHBondContact O-N 3.03Å
653R86.7Confident86Confident85 Ų8546.2 Ų46.232%0.32124%0.241SC..EExtended strand (participates in β ladder)trans-78.469.3177-165.1174.9-172.9158.39.9112.1F631 F655 E673F631-R653 PolarHBondContact N-O 3.2Å; R653-F655 HydrophobicContact CG-CE2 4.26Å; R653-E673 IonicContact CZ-OE1 3.99Å; R653-E673 IonicContact CZ-OE2 2.97Å; R653-E673 IonicContact NH1-OE1 3.79Å; R653-E673 PolarHBondContact NH1-OE1 2.83Å; R653-E673 IonicContact NH1-OE2 2.73Å; R653-E673 IonicContact NH2-OE1 2.66Å; R653-E673 PolarHBondContact NH2-OE1 3.21Å; R653-E673 IonicContact NH2-OE2 3.8Å; R653-E673 PolarHBondContact NH2-OE2 3.49Å
654L89.3Confident86.2Confident32 Ų3249.8 Ų49.817%0.16826%0.255CS..EExtended strand (participates in β ladder)trans-97.7127.6-170.5-168.166.6000112.9F631 V633 F644 L647 L652F631-L654 HydrophobicContact CB-CD1 3.51Å; F631-L654 HydrophobicContact CG-CD1 4.47Å; V633-L654 HydrophobicContact CG2-CD1 3.63Å; F644-L654 HydrophobicContact CD2-CD2 3.57Å; F644-L654 HydrophobicContact CD2-CG 3.9Å; F644-L654 HydrophobicContact CE2-CD2 3.57Å; F644-L654 HydrophobicContact CE2-CG 3.79Å; L647-L654 HydrophobicContact CB-CD1 4.18Å; L647-L654 HydrophobicContact CB-CD2 3.77Å; L647-L654 HydrophobicContact CD1-CD1 4.4Å; L652-L654 PolarHBondContact O-N 3.03Å
655F90.7Very high86.4Confident35 Ų3551.5 Ų51.515%0.15427%0.27CS..EExtended strand (participates in β ladder)trans-115.7126.9173-68.4-79.2000111.1T630 F631 I632 V633 R653 I666T630-F655 HydrophobicContact CG2-CD2 3.69Å; T630-F655 HydrophobicContact CG2-CE2 3.64Å; F631-F655 PolarHBondContact O-N 3.25Å; I632-F655 WeakPolarHBondContact CA-O 3.49Å; V633-F655 PolarHBondContact N-O 3.31Å; R653-F655 HydrophobicContact CG-CE2 4.26Å; F655-I666 HydrophobicContact CB-CD1 3.95Å; F655-I666 HydrophobicContact CD1-CD1 3.97Å; F655-I666 HydrophobicContact CD1-CG1 3.93Å; F655-I666 HydrophobicContact CD1-CG2 4.5Å; F655-I666 HydrophobicContact CD2-CG2 4.28Å; F655-I666 HydrophobicContact CE1-CG1 4.28Å; F655-I666 HydrophobicContact CE2-CG2 4.41Å; F655-I666 HydrophobicContact CG-CD1 4.1Å; F655-I666 HydrophobicContact CG-CG1 4.35Å; F655-I666 HydrophobicContact CG-CG2 4.32Å
656N90Very high86.7Confident49 Ų4949.6 Ų49.626%0.26226%0.255SS..EExtended strand (participates in β ladder)trans-89.6131.7167.5-160.6-29.1000109.4V633 S635 F644 N658V633-N656 WeakPolarHBondContact O-CA 3.49Å; S635-N656 WeakPolarHBondContact CB-OD1 3.17Å; S635-N656 VanDerWaalsContact OG-CG 3.24Å; S635-N656 PolarHBondContact OG-ND2 3.17Å; S635-N656 PolarHBondContact OG-OD1 3.4Å; F644-N656 WeakPolarHBondContact CD1-ND2 3.45Å; F644-N656 HydrophobicContact CD2-CB 3.82Å; F644-N656 HydrophobicContact CE1-CB 4.44Å; F644-N656 HydrophobicContact CE2-CB 3.61Å; F644-N656 HydrophobicContact CG-CB 4.36Å; F644-N656 WeakPolarHBondContact CG-ND2 3.01Å; F644-N656 HydrophobicContact CZ-CB 3.94Å; N656-N658 PolarHBondContact OD1-ND2 3.2Å
657V88.8Confident87Confident0 Ų049.5 Ų49.50%026%0.255CS..EExtended strand (participates in β ladder)trans-129.6121.8-175.7178.40000110.8I632 V633 G634 F636 E662 M663 I666 L697 L700I632-V657 HydrophobicContact CG2-CB 4.34Å; I632-V657 HydrophobicContact CG2-CG2 3.74Å; V633-V657 PolarHBondContact O-N 3.26Å; G634-V657 WeakPolarHBondContact CA-O 3.34Å; F636-V657 WeakPolarHBondContact CE2-O 3.39Å; V657-E662 HydrophobicContact CG1-CB 4.49Å; V657-M663 HydrophobicContact CG1-CB 3.89Å; V657-M663 HydrophobicContact CG1-CG 4.44Å; V657-M663 HydrophobicContact CG1-SD 4.03Å; V657-M663 HydrophobicContact CG2-SD 3.94Å; V657-I666 HydrophobicContact CG2-CD1 3.47Å; V657-I666 VanDerWaalsContact CG2-CD1 3.47Å; V657-L697 HydrophobicContact CB-CD1 4.25Å; V657-L697 HydrophobicContact CG1-CD1 4.34Å; V657-L700 HydrophobicContact CG1-CD2 4.3Å
658N86.3Confident87.1Confident78 Ų7851.5 Ų51.542%0.41727%0.267SS..  trans-122-8.4179.4-61-71.8000112.5S635 F636 N656 E662S635-N658 VanDerWaalsContact CB-OD1 3.29Å; S635-N658 WeakPolarHBondContact CB-OD1 3.1Å; F636-N658 WeakPolarHBondContact CE1-O 3.46Å; F636-N658 WeakPolarHBondContact CZ-O 3.27Å; N656-N658 PolarHBondContact OD1-ND2 3.2Å; N658-E662 WeakPolarHBondContact CA-OE2 3.13Å; N658-E662 PolarHBondContact N-OE2 2.96Å
659S86.5Confident87.3Confident14 Ų1455.5 Ų55.510%0.09827%0.272CS..SBendtrans-144.1158.517678.50000114.7N187 N661 E662 M663N187-S659 VanDerWaalsContact ND2-CB 3.26Å; N187-S659 WeakPolarHBondContact ND2-CB 3.36Å; N187-S659 PolarHBondContact ND2-OG 3.37Å; S659-N661 PolarHBondContact O-N 3.13Å; S659-N661 PolarHBondContact OG-N 3.49Å; S659-E662 WeakPolarHBondContact CB-OE1 3.24Å; S659-E662 PolarHBondContact N-OE2 3.23Å; S659-E662 VanDerWaalsContact N-OE2 3.11Å; S659-E662 PolarHBondContact O-N 3.3Å; S659-E662 PolarHBondContact OG-N 3.02Å; S659-E662 VanDerWaalsContact OG-N 3.15Å; S659-E662 PolarHBondContact OG-OE1 3.22Å; S659-M663 PolarHBondContact O-N 2.94Å; S659-M663 VanDerWaalsContact O-N 3.07Å
660L85.6Confident87.7Confident43 Ų4351 Ų5123%0.22525%0.251CS..Hα-helixtrans-61.3-30.2173.5-176.561000112.4R664 R703 A704L660-R664 WeakPolarHBondContact O-CB 3.1Å; L660-R664 VanDerWaalsContact O-CG 3.23Å; L660-R664 WeakPolarHBondContact O-CG 3.4Å; L660-R664 PolarHBondContact O-N 3.39Å; L660-R703 HydrophobicContact CD1-CB 3.96Å; L660-R703 HydrophobicContact CD1-CG 4.06Å; L660-R703 HydrophobicContact CD2-CG 4.32Å; L660-A704 HydrophobicContact CD1-CB 4.1Å
661N85.9Confident88.1Confident70 Ų7049.9 Ų49.937%0.37425%0.245SC..Hα-helixtrans-75.6-36.2178.7-80.60.7000112.2S659 R664 T665S659-N661 PolarHBondContact O-N 3.13Å; S659-N661 PolarHBondContact OG-N 3.49Å; N661-R664 PolarHBondContact OD1-NH1 3.33Å; N661-T665 WeakPolarHBondContact O-CB 3.31Å; N661-T665 PolarHBondContact O-N 2.97Å; N661-T665 PolarHBondContact O-OG1 3.37Å
662E90.5Very high88.5Confident56 Ų5646 Ų4626%0.26223%0.225SC..Hα-helixtrans-60.3-49.7167.6-75137.7-123.700110.5N187 V657 N658 S659 R664 T665 I666N187-E662 PolarHBondContact ND2-OE1 3.03Å; V657-E662 HydrophobicContact CG1-CB 4.49Å; N658-E662 WeakPolarHBondContact CA-OE2 3.13Å; N658-E662 PolarHBondContact N-OE2 2.96Å; S659-E662 WeakPolarHBondContact CB-OE1 3.24Å; S659-E662 PolarHBondContact N-OE2 3.23Å; S659-E662 VanDerWaalsContact N-OE2 3.11Å; S659-E662 PolarHBondContact O-N 3.3Å; S659-E662 PolarHBondContact OG-N 3.02Å; S659-E662 VanDerWaalsContact OG-N 3.15Å; S659-E662 PolarHBondContact OG-OE1 3.22Å; E662-R664 VanDerWaalsContact C-N 3.34Å; E662-R664 PolarHBondContact O-N 3.04Å; E662-T665 WeakPolarHBondContact O-CB 3.23Å; E662-T665 PolarHBondContact O-N 3.19Å; E662-T665 VanDerWaalsContact O-N 3.09Å; E662-I666 WeakPolarHBondContact O-CG1 3.39Å; E662-I666 PolarHBondContact O-N 3.2Å
663M91.7Very high88.5Confident0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-61.3-41-179.2-162.662.1-113.600112.5I632 V657 S659 I666 F667 V701 A704I632-M663 HydrophobicContact CD1-CE 3.6Å; I632-M663 HydrophobicContact CD1-SD 4.25Å; I632-M663 HydrophobicContact CG1-CE 4.48Å; I632-M663 HydrophobicContact CG2-SD 3.97Å; V657-M663 HydrophobicContact CG1-CB 3.89Å; V657-M663 HydrophobicContact CG1-CG 4.44Å; V657-M663 HydrophobicContact CG1-SD 4.03Å; V657-M663 HydrophobicContact CG2-SD 3.94Å; S659-M663 PolarHBondContact O-N 2.94Å; S659-M663 VanDerWaalsContact O-N 3.07Å; M663-I666 HydrophobicContact CE-CB 4.07Å; M663-I666 HydrophobicContact CE-CG2 3.85Å; M663-I666 PolarHBondContact O-N 3.36Å; M663-F667 HydrophobicContact CE-CD2 3.58Å; M663-F667 HydrophobicContact CE-CE2 3.52Å; M663-F667 HydrophobicContact CE-CG 4.34Å; M663-F667 HydrophobicContact CE-CZ 4.22Å; M663-F667 HydrophobicContact CG-CD2 4.29Å; M663-F667 HydrophobicContact CG-CE2 4.31Å; M663-F667 WeakPolarHBondContact O-CD2 3.47Å; M663-F667 PolarHBondContact O-N 3.17Å; M663-V701 HydrophobicContact CG-CG2 4.34Å; M663-V701 HydrophobicContact SD-CG2 3.76Å; M663-A704 HydrophobicContact CB-CB 3.8Å; M663-A704 HydrophobicContact CG-CB 3.5Å; M663-A704 VanDerWaalsContact CG-CB 3.5Å
664R90.4Very high88.1Confident79 Ų7943.4 Ų43.430%0.29822%0.216SC..Hα-helixtrans-59.3-49.8171.6-76.9166.4172.7177.4-10.1111L660 N661 E662 I666 F667 T668 A704 D707 Q708L660-R664 WeakPolarHBondContact O-CB 3.1Å; L660-R664 VanDerWaalsContact O-CG 3.23Å; L660-R664 WeakPolarHBondContact O-CG 3.4Å; L660-R664 PolarHBondContact O-N 3.39Å; N661-R664 PolarHBondContact OD1-NH1 3.33Å; E662-R664 VanDerWaalsContact C-N 3.34Å; E662-R664 PolarHBondContact O-N 3.04Å; R664-I666 VanDerWaalsContact C-N 3.31Å; R664-I666 PolarHBondContact O-N 3.19Å; R664-F667 CarbonylContact O-C 3.57Å; R664-F667 PolarHBondContact O-N 3.38Å; R664-F667 VanDerWaalsContact O-N 3.1Å; R664-T668 PolarHBondContact O-N 3.29Å; R664-T668 PolarHBondContact O-OG1 3.31Å; R664-A704 HydrophobicContact CG-CB 3.98Å; R664-D707 HydrophobicContact CG-CB 4.44Å; R664-D707 IonicContact CZ-OD2 2.91Å; R664-D707 IonicContact NE-OD2 3.51Å; R664-D707 PolarHBondContact NE-OD2 2.96Å; R664-D707 IonicContact NH2-OD2 3.18Å; R664-D707 PolarHBondContact NH2-OD2 3.25Å; R664-Q708 HydrophobicContact CB-CG 3.97Å; R664-Q708 HydrophobicContact CG-CG 4.02Å
665T92Very high87.5Confident95 Ų9546.9 Ų46.958%0.58323%0.232SC*.Hα-helixtrans-60.5-39.6-179.4-53.80000112.2N661 E662 T668 R669N661-T665 WeakPolarHBondContact O-CB 3.31Å; N661-T665 PolarHBondContact O-N 2.97Å; N661-T665 PolarHBondContact O-OG1 3.37Å; E662-T665 WeakPolarHBondContact O-CB 3.23Å; E662-T665 PolarHBondContact O-N 3.19Å; E662-T665 VanDerWaalsContact O-N 3.09Å; T665-T668 PolarHBondContact O-N 2.92Å; T665-R669 PolarHBondContact O-N 3Å
666I91Very high86.5Confident18 Ų1848.9 Ų48.99%0.09225%0.25CC..Hα-helixtrans-62.8-46.5174-69.2160.4000110.2F655 V657 E662 M663 R664 R669 L670F655-I666 HydrophobicContact CB-CD1 3.95Å; F655-I666 HydrophobicContact CD1-CD1 3.97Å; F655-I666 HydrophobicContact CD1-CG1 3.93Å; F655-I666 HydrophobicContact CD1-CG2 4.5Å; F655-I666 HydrophobicContact CD2-CG2 4.28Å; F655-I666 HydrophobicContact CE1-CG1 4.28Å; F655-I666 HydrophobicContact CE2-CG2 4.41Å; F655-I666 HydrophobicContact CG-CD1 4.1Å; F655-I666 HydrophobicContact CG-CG1 4.35Å; F655-I666 HydrophobicContact CG-CG2 4.32Å; V657-I666 HydrophobicContact CG2-CD1 3.47Å; V657-I666 VanDerWaalsContact CG2-CD1 3.47Å; E662-I666 WeakPolarHBondContact O-CG1 3.39Å; E662-I666 PolarHBondContact O-N 3.2Å; M663-I666 HydrophobicContact CE-CB 4.07Å; M663-I666 HydrophobicContact CE-CG2 3.85Å; M663-I666 PolarHBondContact O-N 3.36Å; R664-I666 VanDerWaalsContact C-N 3.31Å; R664-I666 PolarHBondContact O-N 3.19Å; I666-R669 PolarHBondContact O-N 3.48Å; I666-L670 HydrophobicContact CG2-CD1 3.77Å; I666-L670 HydrophobicContact CG2-CG 4.31Å; I666-L670 WeakPolarHBondContact O-CB 3.46Å; I666-L670 WeakPolarHBondContact O-CG 3.32Å; I666-L670 PolarHBondContact O-N 2.84Å
667F90.1Very high85.1Confident0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-63.9-38.3174-88.1-60.8000113.3M663 R664 R669 L670 A671 I689 V701 A704 Y705 Q708 L709 F722M663-F667 HydrophobicContact CE-CD2 3.58Å; M663-F667 HydrophobicContact CE-CE2 3.52Å; M663-F667 HydrophobicContact CE-CG 4.34Å; M663-F667 HydrophobicContact CE-CZ 4.22Å; M663-F667 HydrophobicContact CG-CD2 4.29Å; M663-F667 HydrophobicContact CG-CE2 4.31Å; M663-F667 WeakPolarHBondContact O-CD2 3.47Å; M663-F667 PolarHBondContact O-N 3.17Å; R664-F667 CarbonylContact O-C 3.57Å; R664-F667 PolarHBondContact O-N 3.38Å; R664-F667 VanDerWaalsContact O-N 3.1Å; F667-R669 VanDerWaalsContact C-N 3.3Å; F667-R669 PolarHBondContact O-N 3.14Å; F667-L670 PolarHBondContact O-N 2.98Å; F667-A671 WeakPolarHBondContact O-CB 3.47Å; F667-A671 PolarHBondContact O-N 3.32Å; F667-I689 HydrophobicContact CE1-CD1 4.17Å; F667-V701 HydrophobicContact CE2-CG1 3.88Å; F667-V701 WeakPolarHBondContact CE2-O 3.41Å; F667-V701 HydrophobicContact CZ-CG1 3.81Å; F667-A704 HydrophobicContact CD2-CB 3.64Å; F667-A704 HydrophobicContact CE2-CB 4.05Å; F667-Y705 AromaticContact CE1-CD2 3.75Å; F667-Y705 HydrophobicContact CE1-CD2 3.75Å; F667-Y705 AromaticContact CZ-CD2 3.82Å; F667-Y705 HydrophobicContact CZ-CD2 3.82Å; F667-Y705 HydrophobicContact CZ-CG 4.36Å; F667-Q708 HydrophobicContact CB-CB 3.91Å; F667-Q708 HydrophobicContact CB-CG 4.15Å; F667-L709 HydrophobicContact CD1-CD1 3.69Å; F667-L709 HydrophobicContact CE1-CD1 3.91Å; F667-F722 HydrophobicContact CE1-CE1 4.11Å; F667-F722 AromaticContact CE1-CZ 3.98Å; F667-F722 HydrophobicContact CE1-CZ 3.98Å; F667-F722 AromaticContact CZ-CE1 3.87Å; F667-F722 HydrophobicContact CZ-CE1 3.87Å; F667-F722 HydrophobicContact CZ-CZ 4.03Å
668T89.3Confident83.4Confident44 Ų4455.7 Ų55.727%0.2728%0.278SS..Hα-helixtrans-60.6-42.8174.6-31.70000110.9R664 T665 N672 Q708R664-T668 PolarHBondContact O-N 3.29Å; R664-T668 PolarHBondContact O-OG1 3.31Å; T665-T668 PolarHBondContact O-N 2.92Å; T668-N672 WeakPolarHBondContact O-CB 3.48Å; T668-N672 PolarHBondContact O-N 2.81Å; T668-N672 PolarHBondContact O-ND2 3.27Å; T668-N672 PolarHBondContact O-OD1 3.06Å; T668-Q708 PolarHBondContact OG1-OE1 2.89Å
669R89.2Confident81.6Confident151 Ų15162.3 Ų62.357%0.5730%0.297SS*.Hα-helixtrans-64.3-53.2177-178177.6177.4174.30.4111.4T665 I666 F667 A671 N672 E673T665-R669 PolarHBondContact O-N 3Å; I666-R669 PolarHBondContact O-N 3.48Å; F667-R669 VanDerWaalsContact C-N 3.3Å; F667-R669 PolarHBondContact O-N 3.14Å; R669-A671 VanDerWaalsContact C-N 3.31Å; R669-A671 PolarHBondContact O-N 3.38Å; R669-N672 PolarHBondContact O-N 2.72Å; R669-E673 VanDerWaalsContact O-CB 3.3Å; R669-E673 WeakPolarHBondContact O-CB 3.34Å; R669-E673 PolarHBondContact O-N 2.96Å
670L88.6Confident79.7Confident7 Ų770.8 Ų70.84%0.03733%0.327CS..Hα-helixtrans-61.2-37.7179.6-69.3172.4000112T630 I666 F667 A674 I689 F720T630-L670 HydrophobicContact CG2-CD1 4.2Å; T630-L670 HydrophobicContact CG2-CD2 4.32Å; I666-L670 HydrophobicContact CG2-CD1 3.77Å; I666-L670 HydrophobicContact CG2-CG 4.31Å; I666-L670 WeakPolarHBondContact O-CB 3.46Å; I666-L670 WeakPolarHBondContact O-CG 3.32Å; I666-L670 PolarHBondContact O-N 2.84Å; F667-L670 PolarHBondContact O-N 2.98Å; L670-A674 WeakPolarHBondContact O-CB 3.41Å; L670-A674 PolarHBondContact O-N 3.17Å; L670-I689 HydrophobicContact CD1-CD1 4.01Å; L670-F720 HydrophobicContact CB-CE1 4.23Å; L670-F720 HydrophobicContact CB-CZ 4.37Å
671A85.6Confident78.1Confident0 Ų072.3 Ų72.30%034%0.335CS..Hα-helixtrans-66.2-44.9175.900000112.3F667 R669 E673 Q675 L709 L716F667-A671 WeakPolarHBondContact O-CB 3.47Å; F667-A671 PolarHBondContact O-N 3.32Å; R669-A671 VanDerWaalsContact C-N 3.31Å; R669-A671 PolarHBondContact O-N 3.38Å; A671-E673 VanDerWaalsContact C-N 3.34Å; A671-Q675 VanDerWaalsContact O-CB 3.24Å; A671-Q675 WeakPolarHBondContact O-CB 3.46Å; A671-Q675 PolarHBondContact O-N 3Å; A671-L709 HydrophobicContact CB-CD2 3.72Å; A671-L716 HydrophobicContact CB-CD2 4.22Å
672N86.2Confident75.9Confident85 Ų8573.7 Ų73.746%0.45535%0.35SS..Hα-helixtrans-67.7-36.3178.9-68.8-8.2000111.9T668 R669 Q675 S676 R712T668-N672 WeakPolarHBondContact O-CB 3.48Å; T668-N672 PolarHBondContact O-N 2.81Å; T668-N672 PolarHBondContact O-ND2 3.27Å; T668-N672 PolarHBondContact O-OD1 3.06Å; R669-N672 PolarHBondContact O-N 2.72Å; N672-Q675 PolarHBondContact O-N 2.85Å; N672-S676 PolarHBondContact O-N 3.31Å; N672-R712 PolarHBondContact OD1-NH1 3.01Å; N672-R712 PolarHBondContact OD1-NH2 3.12Å
673E84.1Confident73.6Confident51 Ų5179.3 Ų79.324%0.23838%0.382CS..Hα-helixtrans-68.1-50174-176.2175.7167.700111.5R653 R669 A671 Q675 S676 Y677R653-E673 IonicContact CZ-OE1 3.99Å; R653-E673 IonicContact CZ-OE2 2.97Å; R653-E673 IonicContact NH1-OE1 3.79Å; R653-E673 PolarHBondContact NH1-OE1 2.83Å; R653-E673 IonicContact NH1-OE2 2.73Å; R653-E673 IonicContact NH2-OE1 2.66Å; R653-E673 PolarHBondContact NH2-OE1 3.21Å; R653-E673 IonicContact NH2-OE2 3.8Å; R653-E673 PolarHBondContact NH2-OE2 3.49Å; R669-E673 VanDerWaalsContact O-CB 3.3Å; R669-E673 WeakPolarHBondContact O-CB 3.34Å; R669-E673 PolarHBondContact O-N 2.96Å; A671-E673 VanDerWaalsContact C-N 3.34Å; E673-Q675 PolarHBondContact O-N 3.14Å; E673-S676 PolarHBondContact O-N 2.89Å; E673-S676 PolarHBondContact O-OG 2.93Å; E673-Y677 HydrophobicContact CG-CD2 4.25Å; E673-Y677 HydrophobicContact CG-CE2 4.13Å; E673-Y677 WeakPolarHBondContact O-CD2 3.42Å; E673-Y677 PolarHBondContact O-N 3.39Å; E673-Y677 VanDerWaalsContact O-N 3.14Å
674A78.7Confident71.8Confident5 Ų581.7 Ų81.74%0.04141%0.406CS..Hα-helixtrans-53.8-38.7172.400000112.2L670 S676 Y677 T678 I687 L716 F720L670-A674 WeakPolarHBondContact O-CB 3.41Å; L670-A674 PolarHBondContact O-N 3.17Å; A674-S676 VanDerWaalsContact C-N 3.29Å; A674-S676 PolarHBondContact O-N 3.38Å; A674-Y677 CarbonylContact O-C 3.6Å; A674-Y677 PolarHBondContact O-N 2.83Å; A674-T678 PolarHBondContact O-N 2.82Å; A674-T678 PolarHBondContact O-OG1 3.01Å; A674-I687 HydrophobicContact CB-CD1 3.36Å; A674-L716 HydrophobicContact CB-CD1 3.62Å; A674-L716 HydrophobicContact CB-CG 4.4Å; A674-F720 HydrophobicContact CB-CZ 4.17Å
675Q77Confident70.4Confident105 Ų10584 Ų8449%0.49142%0.424SS..Hα-helixtrans-69.8-22179.6-167.3168.10.200113.2A671 N672 E673 L716A671-Q675 VanDerWaalsContact O-CB 3.24Å; A671-Q675 WeakPolarHBondContact O-CB 3.46Å; A671-Q675 PolarHBondContact O-N 3Å; N672-Q675 PolarHBondContact O-N 2.85Å; E673-Q675 PolarHBondContact O-N 3.14Å; Q675-L716 HydrophobicContact CB-CD1 3.87Å
676S68.8Low69.5Low76 Ų7684.2 Ų84.253%0.53142%0.415SS..Hα-helixtrans-81.1-35168.573.10000112.2N672 E673 A674N672-S676 PolarHBondContact O-N 3.31Å; E673-S676 PolarHBondContact O-N 2.89Å; E673-S676 PolarHBondContact O-OG 2.93Å; A674-S676 VanDerWaalsContact C-N 3.29Å; A674-S676 PolarHBondContact O-N 3.38Å
677Y61.2Low68.9Low147 Ų14785.5 Ų85.558%0.57642%0.421SS*.Hα-helixtrans-71-27.5172.7-81.4-82.4000114.1E673 A674 R679 R680E673-Y677 HydrophobicContact CG-CD2 4.25Å; E673-Y677 HydrophobicContact CG-CE2 4.13Å; E673-Y677 WeakPolarHBondContact O-CD2 3.42Å; E673-Y677 PolarHBondContact O-N 3.39Å; E673-Y677 VanDerWaalsContact O-N 3.14Å; A674-Y677 CarbonylContact O-C 3.6Å; A674-Y677 PolarHBondContact O-N 2.83Å; Y677-R679 PolarHBondContact O-N 3.37Å; Y677-R680 PolarHBondContact O-N 3.46Å
678T52.9Low68.5Low46 Ų4689 Ų8928%0.28244%0.437SS..G310 helixtrans-54.2-28-176.1-59.40000112.8A674 R680 I681A674-T678 PolarHBondContact O-N 2.82Å; A674-T678 PolarHBondContact O-OG1 3.01Å; T678-R680 PolarHBondContact O-N 3.35Å; T678-R680 VanDerWaalsContact O-N 3.1Å; T678-I681 PolarHBondContact O-N 3.1Å
679R49.1Very low68.4Low216 Ų21686.9 Ų86.982%0.81542%0.424SS*.G310 helixtrans-70.71176.3-145.9-179.8-62.7-136.30.8114.6Y677Y677-R679 PolarHBondContact O-N 3.37Å
680R46.6Very low68.3Low193 Ų19379.7 Ų79.773%0.72840%0.397SS*.G310 helixtrans-128.44.5176.3-59.2-168-172.8-165.42.9114.6Y677 T678 S682Y677-R680 PolarHBondContact O-N 3.46Å; T678-R680 PolarHBondContact O-N 3.35Å; T678-R680 VanDerWaalsContact O-N 3.1Å; R680-S682 PolarHBondContact O-N 2.87Å
681I50.8Low68.3Low75 Ų7579.6 Ų79.639%0.38540%0.396SS..  trans-76.488.5-176.9-58.2176.3000109.8T678T678-I681 PolarHBondContact O-N 3.1Å
682S40.2Very low68.5Low99 Ų9979.6 Ų79.669%0.69240%0.396SS*.  trans-86.7123.7162.451.40000109.6R680R680-S682 PolarHBondContact O-N 2.87Å
683D43Very low68.3Low174 Ų17475.6 Ų75.693%0.9338%0.375SS*.SBendtrans24.889.3171.9-71.4-29.6000118.2
684G52.6Low67.9Low49 Ų4973.1 Ų73.151%0.50536%0.363SS..SBendtrans1054.7151.700000117.4Y686G684-Y686 WeakPolarHBondContact O-CD2 3.26Å; G684-Y686 WeakPolarHBondContact O-CE2 3.46Å
685D61.7Low67.7Low128 Ų12874.7 Ų74.768%0.68437%0.371SS*.  trans-77.2124.7176-125.1-11.5000111.8
686Y72.4Confident67.7Low100 Ų10074.1 Ų74.139%0.39237%0.371SS..  trans-119.5138.1-173.4-63.8-80.3000112.5G684 K688 R721G684-Y686 WeakPolarHBondContact O-CD2 3.26Å; G684-Y686 WeakPolarHBondContact O-CE2 3.46Å; Y686-K688 PolarHBondContact O-N 3.43Å; Y686-K688 VanDerWaalsContact O-N 3.11Å; Y686-R721 HydrophobicContact CD1-CG 3.64Å; Y686-R721 HydrophobicContact CE1-CG 4.39Å; Y686-R721 VanDerWaalsContact CG-CD 3.45Å; Y686-R721 HydrophobicContact CG-CG 3.8Å; Y686-R721 VanDerWaalsContact CG-NE 3.27Å; Y686-R721 PolarHBondContact OH-NH2 3.09Å; Y686-R721 VanDerWaalsContact OH-NH2 3.08Å
687I78.6Confident68.4Low44 Ų4470.5 Ų70.523%0.22635%0.345CS..EExtended strand (participates in β ladder)trans-77.999.6174.3-57.9165.1000108.7A674 I689 A719 F720 R721A674-I687 HydrophobicContact CB-CD1 3.36Å; I687-I689 HydrophobicContact CG2-CG1 4.39Å; I687-I689 PolarHBondContact O-N 3.33Å; I687-A719 HydrophobicContact CD1-CB 4.33Å; I687-A719 PolarHBondContact N-O 2.98Å; I687-F720 HydrophobicContact CB-CD1 3.94Å; I687-F720 HydrophobicContact CB-CE1 4.21Å; I687-F720 HydrophobicContact CD1-CD1 4.33Å; I687-F720 HydrophobicContact CD1-CE1 4Å; I687-F720 HydrophobicContact CD1-CE2 4.46Å; I687-F720 HydrophobicContact CD1-CZ 4.06Å; I687-F720 HydrophobicContact CG2-CD1 3.72Å; I687-F720 HydrophobicContact CG2-CE1 3.71Å; I687-R721 PolarHBondContact O-N 3.46Å
688K82.5Confident69.4Low73 Ų7363.7 Ų63.732%0.31732%0.319SS..EExtended strand (participates in β ladder)trans-77.8117.3179.8-58.2-176.3-175.7-179.90110.4V629 T630 Y686 F723V629-K688 HydrophobicContact CB-CB 4.46Å; V629-K688 HydrophobicContact CG1-CB 4.29Å; V629-K688 HydrophobicContact CG2-CB 4.05Å; V629-K688 HydrophobicContact CG2-CD 4.05Å; T630-K688 PolarHBondContact N-O 3.28Å; Y686-K688 PolarHBondContact O-N 3.43Å; Y686-K688 VanDerWaalsContact O-N 3.11Å; K688-F723 HydrophobicContact CB-CD2 4.47Å; K688-F723 HydrophobicContact CB-CE2 4Å; K688-F723 HydrophobicContact CD-CE2 4.32Å; K688-F723 HydrophobicContact CG-CE2 3.98Å
689I86.6Confident70.6Confident0 Ų063.6 Ų63.60%032%0.317CS..EExtended strand (participates in β ladder)trans-112.8123.2172.3-63.8-178.2000109T630 I632 F667 L670 I687 I691 F720 R721 F722 F723T630-I689 CarbonylContact O-C 3.44Å; T630-I689 WeakPolarHBondContact O-CA 3.49Å; I632-I689 HydrophobicContact CD1-CG2 3.41Å; I632-I689 VanDerWaalsContact CD1-CG2 3.41Å; I632-I689 HydrophobicContact CG1-CG2 4.13Å; F667-I689 HydrophobicContact CE1-CD1 4.17Å; L670-I689 HydrophobicContact CD1-CD1 4.01Å; I687-I689 HydrophobicContact CG2-CG1 4.39Å; I687-I689 PolarHBondContact O-N 3.33Å; I689-I691 HydrophobicContact CG2-CG1 4.39Å; I689-F720 HydrophobicContact CD1-CD1 3.54Å; I689-F720 HydrophobicContact CD1-CE1 3.87Å; I689-F720 HydrophobicContact CG1-CD1 4.32Å; I689-R721 PolarHBondContact N-O 2.99Å; I689-F722 HydrophobicContact CB-CD1 3.77Å; I689-F722 HydrophobicContact CB-CE1 3.83Å; I689-F722 HydrophobicContact CD1-CD1 4.44Å; I689-F722 HydrophobicContact CD1-CE1 3.61Å; I689-F722 HydrophobicContact CD1-CZ 3.99Å; I689-F722 HydrophobicContact CG1-CE1 4.24Å; I689-F722 HydrophobicContact CG2-CD1 3.76Å; I689-F722 HydrophobicContact CG2-CE1 3.82Å; I689-F722 CarbonylContact O-C 3.59Å; I689-F722 WeakPolarHBondContact O-CA 3.24Å; I689-F723 PolarHBondContact O-N 2.68Å
690C87.6Confident72.3Confident0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-104.6118.9175.9-172.30000110.2V629 T630 F631 I632 F723 I725V629-C690 HydrophobicContact CG1-CB 3.8Å; T630-C690 PolarHBondContact O-N 3.22Å; F631-C690 CarbonylContact C-O 3.5Å; F631-C690 WeakPolarHBondContact CA-O 3.37Å; F631-C690 HydrophobicContact CD1-CB 3.56Å; F631-C690 HydrophobicContact CE1-CB 3.72Å; F631-C690 HydrophobicContact CG-CB 4.29Å; I632-C690 PolarHBondContact N-O 3.38Å; C690-F723 CarbonylContact C-O 3.56Å; C690-F723 WeakPolarHBondContact CA-O 3.48Å; C690-I725 WeakPolarHBondContact SG-CD1 3.44Å
691I88.9Confident74.2Confident6 Ų645.2 Ų45.23%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-98.6115.5-179.8-55.1170.4000108.2I689 L697 I698 V701 F722 F723 I724 I725I689-I691 HydrophobicContact CG2-CG1 4.39Å; I691-L697 HydrophobicContact CG2-CD2 3.64Å; I691-L697 HydrophobicContact CG2-CG 3.97Å; I691-I698 HydrophobicContact CG2-CG1 4.32Å; I691-V701 HydrophobicContact CD1-CB 4.16Å; I691-V701 HydrophobicContact CD1-CG1 3.71Å; I691-V701 HydrophobicContact CD1-CG2 4.31Å; I691-V701 HydrophobicContact CG1-CG1 4.32Å; I691-V701 HydrophobicContact CG1-CG2 4.4Å; I691-V701 HydrophobicContact CG2-CG2 4.32Å; I691-F722 HydrophobicContact CD1-CB 4.39Å; I691-F722 HydrophobicContact CD1-CD1 3.97Å; I691-F722 HydrophobicContact CG1-CD1 4.42Å; I691-F723 PolarHBondContact N-O 2.82Å; I691-I724 HydrophobicContact CD1-CG1 4.28Å; I691-I725 PolarHBondContact O-N 2.71Å
692L88Confident75.7Confident0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-108.593.6178-75.1156.9000108.7F631 I632 V633 G634 V643 L647 L697 I725 I727 I851F631-L692 HydrophobicContact CD1-CD1 3.81Å; I632-L692 PolarHBondContact O-N 2.84Å; V633-L692 WeakPolarHBondContact CA-O 3.43Å; V633-L692 HydrophobicContact CG2-CB 3.9Å; V633-L692 HydrophobicContact CG2-CD1 3.79Å; G634-L692 PolarHBondContact N-O 2.75Å; V643-L692 HydrophobicContact CG1-CD1 4.26Å; V643-L692 HydrophobicContact CG1-CD2 4.37Å; L647-L692 HydrophobicContact CD1-CD1 3.44Å; L647-L692 VanDerWaalsContact CD1-CD1 3.44Å; L692-L697 VanDerWaalsContact O-CD2 3.22Å; L692-L697 WeakPolarHBondContact O-CD2 3.3Å; L692-I725 HydrophobicContact CD2-CB 3.76Å; L692-I725 HydrophobicContact CD2-CD1 4.44Å; L692-I725 HydrophobicContact CD2-CG2 3.66Å; L692-I725 HydrophobicContact CG-CB 4.5Å; L692-I727 HydrophobicContact CB-CG2 4.28Å; L692-I727 HydrophobicContact CD2-CG2 4.09Å; L692-I851 HydrophobicContact CD2-CD1 4.47Å
693G82.6Confident77.6Confident0 Ų044.4 Ų44.40%023%0.226CC..SBendtrans172.2156.7-172.900000114.1I725G693-I725 PolarHBondContact N-O 2.59Å
694G75.7Confident79.6Confident0 Ų036.1 Ų36.10%018%0.182CC..  trans-74.7-169.4173.600000114.3E637 L696 L697 I698 D728E637-G694 WeakPolarHBondContact OE1-CA 3.38Å; E637-G694 PolarHBondContact OE1-N 2.81Å; G694-L696 PolarHBondContact O-N 2.87Å; G694-L697 PolarHBondContact O-N 2.99Å; G694-I698 PolarHBondContact O-N 3.1Å; G694-D728 WeakPolarHBondContact CA-OD1 3.28Å; G694-D728 VanDerWaalsContact CA-OD2 3.26Å; G694-D728 WeakPolarHBondContact CA-OD2 3.46Å
695N74.1Confident81.1Confident37 Ų3733.8 Ų33.820%0.19816%0.158CC..Hα-helixtrans-50.7-31.2-176-71.2-72.6000114.5N699 N802N695-N699 WeakPolarHBondContact O-CB 3.33Å; N695-N699 PolarHBondContact O-N 3.36Å; N695-N699 VanDerWaalsContact O-N 3.08Å; N695-N699 PolarHBondContact O-ND2 3.29Å; N695-N802 VanDerWaalsContact ND2-CG 3.31Å; N695-N802 PolarHBondContact ND2-OD1 2.82Å; N695-N802 VanDerWaalsContact ND2-OD1 3.14Å
696L77.5Confident82Confident93 Ų9329.1 Ų29.149%0.48713%0.134SC..Hα-helixtrans-69.6-47.2179.4-177.458.4000112F636 G694 N699 L700F636-L696 HydrophobicContact CB-CD2 3.91Å; F636-L696 HydrophobicContact CD1-CD2 3.73Å; F636-L696 HydrophobicContact CD1-CG 4.5Å; F636-L696 HydrophobicContact CD2-CD2 4.27Å; F636-L696 HydrophobicContact CD2-CG 4.4Å; F636-L696 HydrophobicContact CE1-CD2 4.35Å; F636-L696 HydrophobicContact CG-CD2 3.7Å; F636-L696 HydrophobicContact CG-CG 4.31Å; G694-L696 PolarHBondContact O-N 2.87Å; L696-N699 PolarHBondContact O-N 3.07Å; L696-L700 HydrophobicContact CD1-CD1 3.86Å; L696-L700 HydrophobicContact CG-CD1 4.13Å; L696-L700 WeakPolarHBondContact O-CD1 3.4Å; L696-L700 PolarHBondContact O-N 3.11Å
697L84.2Confident82.3Confident1 Ų127 Ų271%0.00513%0.13CC..Hα-helixtrans-64.9-43.6177.5-178.167.1000110.8I632 F636 V657 I691 L692 G694 N699 L700 V701I632-L697 HydrophobicContact CG2-CD1 4.15Å; I632-L697 HydrophobicContact CG2-CD2 4.36Å; F636-L697 HydrophobicContact CE2-CD1 4.17Å; V657-L697 HydrophobicContact CB-CD1 4.25Å; V657-L697 HydrophobicContact CG1-CD1 4.34Å; I691-L697 HydrophobicContact CG2-CD2 3.64Å; I691-L697 HydrophobicContact CG2-CG 3.97Å; L692-L697 VanDerWaalsContact O-CD2 3.22Å; L692-L697 WeakPolarHBondContact O-CD2 3.3Å; G694-L697 PolarHBondContact O-N 2.99Å; L697-N699 VanDerWaalsContact C-N 3.28Å; L697-N699 PolarHBondContact O-N 2.97Å; L697-L700 WeakPolarHBondContact O-CB 3.44Å; L697-L700 PolarHBondContact O-N 3.43Å; L697-V701 HydrophobicContact CD1-CG2 4.24Å; L697-V701 HydrophobicContact CG-CG2 4.2Å; L697-V701 WeakPolarHBondContact O-CG2 3.41Å; L697-V701 PolarHBondContact O-N 3.26Å
698I81.2Confident82.6Confident4 Ų427 Ų272%0.02113%0.129CC..Hα-helixtrans-56.7-44.5177.7-63166.5000110.1I691 G694 V701 L702 I724 F804I691-I698 HydrophobicContact CG2-CG1 4.32Å; G694-I698 PolarHBondContact O-N 3.1Å; I698-V701 PolarHBondContact O-N 3.12Å; I698-L702 HydrophobicContact CG2-CD1 3.8Å; I698-L702 HydrophobicContact CG2-CG 4.39Å; I698-L702 VanDerWaalsContact O-CB 3.3Å; I698-L702 WeakPolarHBondContact O-CB 3.4Å; I698-L702 WeakPolarHBondContact O-CD1 3.29Å; I698-L702 VanDerWaalsContact O-CG 3.23Å; I698-L702 WeakPolarHBondContact O-CG 3.48Å; I698-L702 PolarHBondContact O-N 3.34Å; I698-I724 HydrophobicContact CD1-CG2 3.72Å; I698-I724 HydrophobicContact CG1-CG2 4.26Å; I698-I724 HydrophobicContact CG2-CD1 4.49Å; I698-F804 HydrophobicContact CD1-CB 4.15Å; I698-F804 HydrophobicContact CD1-CD1 4.24Å; I698-F804 HydrophobicContact CD1-CD2 4.24Å; I698-F804 HydrophobicContact CD1-CG 3.96Å; I698-F804 HydrophobicContact CG2-CD2 4.22Å; I698-F804 HydrophobicContact CG2-CE1 4.19Å; I698-F804 HydrophobicContact CG2-CE2 3.69Å; I698-F804 HydrophobicContact CG2-CZ 3.66Å
699N79.5Confident82.5Confident43 Ų4323.6 Ų23.623%0.2311%0.114CC..Hα-helixtrans-65.3-38.1174.6-86.1-70.7000113.7N695 L696 L697 R703N695-N699 WeakPolarHBondContact O-CB 3.33Å; N695-N699 PolarHBondContact O-N 3.36Å; N695-N699 VanDerWaalsContact O-N 3.08Å; N695-N699 PolarHBondContact O-ND2 3.29Å; L696-N699 PolarHBondContact O-N 3.07Å; L697-N699 VanDerWaalsContact C-N 3.28Å; L697-N699 PolarHBondContact O-N 2.97Å; N699-R703 VanDerWaalsContact O-CB 3.23Å; N699-R703 WeakPolarHBondContact O-CB 3.36Å; N699-R703 PolarHBondContact O-N 3.11Å
700L84.1Confident81.9Confident23 Ų2326.8 Ų26.812%0.1214%0.136CC..Hα-helixtrans-62.8-47.4173.3-97.384.1000112F636 V657 L696 L697 R703 A704F636-L700 HydrophobicContact CE2-CD2 4.14Å; F636-L700 HydrophobicContact CZ-CD1 4.26Å; F636-L700 HydrophobicContact CZ-CD2 3.59Å; V657-L700 HydrophobicContact CG1-CD2 4.3Å; L696-L700 HydrophobicContact CD1-CD1 3.86Å; L696-L700 HydrophobicContact CG-CD1 4.13Å; L696-L700 WeakPolarHBondContact O-CD1 3.4Å; L696-L700 PolarHBondContact O-N 3.11Å; L697-L700 WeakPolarHBondContact O-CB 3.44Å; L697-L700 PolarHBondContact O-N 3.43Å; L700-R703 PolarHBondContact O-N 2.92Å; L700-A704 WeakPolarHBondContact O-CB 3.38Å; L700-A704 PolarHBondContact O-N 3.4Å
701V86.2Confident81.3Confident1 Ų131.5 Ų31.51%0.00617%0.168CC..Hα-helixtrans-62.3-50.2179.21770000109.8I632 M663 F667 I691 L697 I698 R703 A704 Y705 F722I632-V701 HydrophobicContact CD1-CG2 4.43Å; I632-V701 HydrophobicContact CG2-CG2 4.38Å; M663-V701 HydrophobicContact CG-CG2 4.34Å; M663-V701 HydrophobicContact SD-CG2 3.76Å; F667-V701 HydrophobicContact CE2-CG1 3.88Å; F667-V701 WeakPolarHBondContact CE2-O 3.41Å; F667-V701 HydrophobicContact CZ-CG1 3.81Å; I691-V701 HydrophobicContact CD1-CB 4.16Å; I691-V701 HydrophobicContact CD1-CG1 3.71Å; I691-V701 HydrophobicContact CD1-CG2 4.31Å; I691-V701 HydrophobicContact CG1-CG1 4.32Å; I691-V701 HydrophobicContact CG1-CG2 4.4Å; I691-V701 HydrophobicContact CG2-CG2 4.32Å; L697-V701 HydrophobicContact CD1-CG2 4.24Å; L697-V701 HydrophobicContact CG-CG2 4.2Å; L697-V701 WeakPolarHBondContact O-CG2 3.41Å; L697-V701 PolarHBondContact O-N 3.26Å; I698-V701 PolarHBondContact O-N 3.12Å; V701-R703 VanDerWaalsContact C-N 3.27Å; V701-R703 PolarHBondContact O-N 3.18Å; V701-A704 PolarHBondContact O-N 3.24Å; V701-Y705 WeakPolarHBondContact O-CB 3.48Å; V701-Y705 PolarHBondContact O-N 3.5Å; V701-F722 HydrophobicContact CG1-CD1 4.47Å; V701-F722 HydrophobicContact CG1-CE1 4.26Å
702L82.7Confident81Confident9 Ų934.4 Ų34.45%0.04718%0.179CC..Hα-helixtrans-56.4-40.6174.8-75.3167000111.9I698 V706 I866 I942 R946I698-L702 HydrophobicContact CG2-CD1 3.8Å; I698-L702 HydrophobicContact CG2-CG 4.39Å; I698-L702 VanDerWaalsContact O-CB 3.3Å; I698-L702 WeakPolarHBondContact O-CB 3.4Å; I698-L702 WeakPolarHBondContact O-CD1 3.29Å; I698-L702 VanDerWaalsContact O-CG 3.23Å; I698-L702 WeakPolarHBondContact O-CG 3.48Å; I698-L702 PolarHBondContact O-N 3.34Å; L702-V706 VanDerWaalsContact O-CG2 3.29Å; L702-V706 WeakPolarHBondContact O-CG2 3.42Å; L702-V706 PolarHBondContact O-N 3.46Å; L702-I866 HydrophobicContact CD2-CD1 4.04Å; L702-I866 HydrophobicContact CD2-CG1 4.49Å; L702-I866 HydrophobicContact CD2-CG2 4.34Å; L702-I942 HydrophobicContact CD1-CD1 4.39Å; L702-I942 HydrophobicContact CD1-CG2 3.95Å; L702-I942 HydrophobicContact CD2-CD1 4.2Å; L702-I942 HydrophobicContact CD2-CG2 3.87Å; L702-R946 PolarHBondContact O-NH1 2.97Å
703R80.1Confident80.6Confident147 Ų14737.1 Ų37.156%0.55520%0.198SC*.Hα-helixtrans-70.2-49-179-168.2168.7-168.9147.24.5111.5L660 N699 L700 V701 Y705 V706 D707L660-R703 HydrophobicContact CD1-CB 3.96Å; L660-R703 HydrophobicContact CD1-CG 4.06Å; L660-R703 HydrophobicContact CD2-CG 4.32Å; N699-R703 VanDerWaalsContact O-CB 3.23Å; N699-R703 WeakPolarHBondContact O-CB 3.36Å; N699-R703 PolarHBondContact O-N 3.11Å; L700-R703 PolarHBondContact O-N 2.92Å; V701-R703 VanDerWaalsContact C-N 3.27Å; V701-R703 PolarHBondContact O-N 3.18Å; R703-Y705 VanDerWaalsContact C-N 3.33Å; R703-Y705 PolarHBondContact O-N 3.47Å; R703-V706 PolarHBondContact O-N 3.2Å; R703-D707 WeakPolarHBondContact O-CB 3.34Å; R703-D707 PolarHBondContact O-N 3.1Å
704A85.4Confident80Confident0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-63.4-35.4177.800000113.1L660 M663 R664 F667 L700 V701 D707 Q708L660-A704 HydrophobicContact CD1-CB 4.1Å; M663-A704 HydrophobicContact CB-CB 3.8Å; M663-A704 HydrophobicContact CG-CB 3.5Å; M663-A704 VanDerWaalsContact CG-CB 3.5Å; R664-A704 HydrophobicContact CG-CB 3.98Å; F667-A704 HydrophobicContact CD2-CB 3.64Å; F667-A704 HydrophobicContact CE2-CB 4.05Å; L700-A704 WeakPolarHBondContact O-CB 3.38Å; L700-A704 PolarHBondContact O-N 3.4Å; V701-A704 PolarHBondContact O-N 3.24Å; A704-D707 PolarHBondContact O-N 2.9Å; A704-Q708 VanDerWaalsContact O-CB 3.31Å; A704-Q708 WeakPolarHBondContact O-CB 3.43Å; A704-Q708 WeakPolarHBondContact O-CG 3.35Å; A704-Q708 PolarHBondContact O-N 3.21Å
705Y84.5Confident80Confident1 Ų148.1 Ų48.10%0.00426%0.255CS..Hα-helixtrans-57.5-53.7173.6-175.4-79.3000110.6F667 V701 R703 D707 Q708 L709 I717 F720 F722 I866 G867 L870F667-Y705 AromaticContact CE1-CD2 3.75Å; F667-Y705 HydrophobicContact CE1-CD2 3.75Å; F667-Y705 AromaticContact CZ-CD2 3.82Å; F667-Y705 HydrophobicContact CZ-CD2 3.82Å; F667-Y705 HydrophobicContact CZ-CG 4.36Å; V701-Y705 WeakPolarHBondContact O-CB 3.48Å; V701-Y705 PolarHBondContact O-N 3.5Å; R703-Y705 VanDerWaalsContact C-N 3.33Å; R703-Y705 PolarHBondContact O-N 3.47Å; Y705-D707 VanDerWaalsContact C-N 3.33Å; Y705-D707 PolarHBondContact O-N 2.95Å; Y705-Q708 PolarHBondContact O-N 3.14Å; Y705-L709 HydrophobicContact CD1-CB 4.41Å; Y705-L709 HydrophobicContact CD1-CD1 4.49Å; Y705-L709 HydrophobicContact CD2-CD1 3.4Å; Y705-L709 VanDerWaalsContact CD2-CD1 3.4Å; Y705-L709 HydrophobicContact CE1-CB 4.34Å; Y705-L709 HydrophobicContact CE1-CD1 4.48Å; Y705-L709 HydrophobicContact CE2-CD1 3.39Å; Y705-L709 HydrophobicContact CG-CD1 4Å; Y705-L709 WeakPolarHBondContact O-CB 3.21Å; Y705-L709 PolarHBondContact O-N 2.91Å; Y705-I717 HydrophobicContact CE1-CG2 4.06Å; Y705-I717 WeakPolarHBondContact OH-CG2 3.43Å; Y705-I717 PolarHBondContact OH-O 3.43Å; Y705-F720 HydrophobicContact CE2-CB 4.3Å; Y705-F722 HydrophobicContact CD2-CE1 4.45Å; Y705-F722 AromaticContact CD2-CE2 3.82Å; Y705-F722 HydrophobicContact CD2-CE2 3.82Å; Y705-F722 AromaticContact CD2-CZ 3.46Å; Y705-F722 HydrophobicContact CD2-CZ 3.46Å; Y705-F722 VanDerWaalsContact CD2-CZ 3.46Å; Y705-F722 AromaticContact CE2-CE2 3.47Å; Y705-F722 HydrophobicContact CE2-CE2 3.47Å; Y705-F722 VanDerWaalsContact CE2-CE2 3.47Å; Y705-F722 AromaticContact CE2-CZ 3.5Å; Y705-F722 HydrophobicContact CE2-CZ 3.5Å; Y705-F722 VanDerWaalsContact CE2-CZ 3.5Å; Y705-I866 HydrophobicContact CD1-CB 3.8Å; Y705-I866 HydrophobicContact CD1-CG2 3.41Å; Y705-I866 VanDerWaalsContact CD1-CG2 3.41Å; Y705-I866 HydrophobicContact CD2-CD1 4.08Å; Y705-I866 HydrophobicContact CE1-CB 3.44Å; Y705-I866 VanDerWaalsContact CE1-CB 3.44Å; Y705-I866 HydrophobicContact CE1-CG2 3.52Å; Y705-I866 HydrophobicContact CE2-CB 4.21Å; Y705-I866 HydrophobicContact CE2-CD1 4.28Å; Y705-I866 HydrophobicContact CG-CB 4.31Å; Y705-I866 HydrophobicContact CG-CD1 4.2Å; Y705-I866 HydrophobicContact CG-CG2 4.05Å; Y705-G867 PolarHBondContact OH-N 2.97Å; Y705-G867 VanDerWaalsContact OH-N 3.12Å; Y705-L870 HydrophobicContact CD1-CD1 4.43Å
706V79.4Confident80.2Confident30 Ų3046.4 Ų46.418%0.18225%0.246CC..Hα-helixtrans-59.9-46.6178.1-173.50000110.6L702 R703 Q708 S710 L870L702-V706 VanDerWaalsContact O-CG2 3.29Å; L702-V706 WeakPolarHBondContact O-CG2 3.42Å; L702-V706 PolarHBondContact O-N 3.46Å; R703-V706 PolarHBondContact O-N 3.2Å; V706-Q708 PolarHBondContact O-N 2.84Å; V706-S710 WeakPolarHBondContact O-CB 3.33Å; V706-S710 PolarHBondContact O-N 3.26Å; V706-S710 PolarHBondContact O-OG 2.94Å; V706-L870 HydrophobicContact CB-CD1 4.24Å; V706-L870 HydrophobicContact CG1-CD1 4.28Å; V706-L870 HydrophobicContact CG2-CD1 3.31Å; V706-L870 HydrophobicContact CG2-CD2 4.16Å; V706-L870 HydrophobicContact CG2-CG 4.4Å
707D78.9Confident80.1Confident55 Ų5542.1 Ų42.129%0.29422%0.224SC..Hα-helixtrans-64.6-19.4-176.6-66.4-9.9000114.2R664 R703 A704 Y705R664-D707 HydrophobicContact CG-CB 4.44Å; R664-D707 IonicContact CZ-OD2 2.91Å; R664-D707 IonicContact NE-OD2 3.51Å; R664-D707 PolarHBondContact NE-OD2 2.96Å; R664-D707 IonicContact NH2-OD2 3.18Å; R664-D707 PolarHBondContact NH2-OD2 3.25Å; R703-D707 WeakPolarHBondContact O-CB 3.34Å; R703-D707 PolarHBondContact O-N 3.1Å; A704-D707 PolarHBondContact O-N 2.9Å; Y705-D707 VanDerWaalsContact C-N 3.33Å; Y705-D707 PolarHBondContact O-N 2.95Å
708Q84.3Confident79.5Confident45 Ų4544.4 Ų44.421%0.2124%0.243CC..Hα-helixtrans-122.4-27.3-171.7-64.1-62-75.900115.1R664 F667 T668 A704 Y705 V706R664-Q708 HydrophobicContact CB-CG 3.97Å; R664-Q708 HydrophobicContact CG-CG 4.02Å; F667-Q708 HydrophobicContact CB-CB 3.91Å; F667-Q708 HydrophobicContact CB-CG 4.15Å; T668-Q708 PolarHBondContact OG1-OE1 2.89Å; A704-Q708 VanDerWaalsContact O-CB 3.31Å; A704-Q708 WeakPolarHBondContact O-CB 3.43Å; A704-Q708 WeakPolarHBondContact O-CG 3.35Å; A704-Q708 PolarHBondContact O-N 3.21Å; Y705-Q708 PolarHBondContact O-N 3.14Å; V706-Q708 PolarHBondContact O-N 2.84Å
709L80.3Confident79.3Confident0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-105.1-19.9-177.2-74164.5000113F667 A671 Y705 C711 R712 L716 I717 F720F667-L709 HydrophobicContact CD1-CD1 3.69Å; F667-L709 HydrophobicContact CE1-CD1 3.91Å; A671-L709 HydrophobicContact CB-CD2 3.72Å; Y705-L709 HydrophobicContact CD1-CB 4.41Å; Y705-L709 HydrophobicContact CD1-CD1 4.49Å; Y705-L709 HydrophobicContact CD2-CD1 3.4Å; Y705-L709 VanDerWaalsContact CD2-CD1 3.4Å; Y705-L709 HydrophobicContact CE1-CB 4.34Å; Y705-L709 HydrophobicContact CE1-CD1 4.48Å; Y705-L709 HydrophobicContact CE2-CD1 3.39Å; Y705-L709 HydrophobicContact CG-CD1 4Å; Y705-L709 WeakPolarHBondContact O-CB 3.21Å; Y705-L709 PolarHBondContact O-N 2.91Å; L709-C711 PolarHBondContact O-N 3.35Å; L709-C711 VanDerWaalsContact O-N 3.07Å; L709-R712 HydrophobicContact CD2-CG 4.2Å; L709-R712 WeakPolarHBondContact O-CB 3.45Å; L709-R712 PolarHBondContact O-N 3.45Å; L709-L716 HydrophobicContact CD2-CD2 3.95Å; L709-I717 HydrophobicContact CB-CG1 4.33Å; L709-I717 WeakPolarHBondContact O-CD1 3.43Å; L709-I717 WeakPolarHBondContact O-CG1 3.36Å; L709-F720 HydrophobicContact CD1-CD2 4Å; L709-F720 HydrophobicContact CD1-CE2 3.89Å; L709-F720 HydrophobicContact CD1-CZ 4.43Å; L709-F720 HydrophobicContact CD2-CD2 4.41Å; L709-F720 HydrophobicContact CD2-CE2 3.74Å; L709-F720 HydrophobicContact CD2-CZ 4.44Å
710S75.5Confident79.3Confident68 Ų6842.8 Ų42.848%0.47624%0.236SC..THydrogen-bonded Turntrans-60.5-20.2177.460.90000114.6V706V706-S710 WeakPolarHBondContact O-CB 3.33Å; V706-S710 PolarHBondContact O-N 3.26Å; V706-S710 PolarHBondContact O-OG 2.94Å
711C74.5Confident78.8Confident98 Ų9845 Ų4566%0.66224%0.242SC*.THydrogen-bonded Turntrans-9917.6176.667.50000114L709L709-C711 PolarHBondContact O-N 3.35Å; L709-C711 VanDerWaalsContact O-N 3.07Å
712R82.6Confident78.6Confident68 Ų6845.1 Ų45.126%0.25724%0.243SC..SBendtrans-112.2178.3178.6-58-62-175.3126.35.8111.2N672 L709 L716 I717N672-R712 PolarHBondContact OD1-NH1 3.01Å; N672-R712 PolarHBondContact OD1-NH2 3.12Å; L709-R712 HydrophobicContact CD2-CG 4.2Å; L709-R712 WeakPolarHBondContact O-CB 3.45Å; L709-R712 PolarHBondContact O-N 3.45Å; R712-L716 HydrophobicContact CB-CD2 3.67Å; R712-L716 HydrophobicContact CG-CD2 3.9Å; R712-I717 HydrophobicContact CB-CD1 4.44Å; R712-I717 HydrophobicContact CB-CG1 4.23Å; R712-I717 WeakPolarHBondContact O-CD1 3.45Å
713S79.3Confident78.6Confident57 Ų5745.2 Ų45.240%0.39924%0.243SC..  trans-72.1144.9178.860.40000112E715 L716 I717S713-E715 PolarHBondContact O-N 2.9Å; S713-E715 VanDerWaalsContact O-N 3.14Å; S713-L716 PolarHBondContact O-N 3.13Å; S713-L716 VanDerWaalsContact O-N 3.14Å; S713-I717 WeakPolarHBondContact O-CD1 3.22Å; S713-I717 WeakPolarHBondContact O-CG1 3.32Å; S713-I717 PolarHBondContact O-N 3.41Å; S713-I717 VanDerWaalsContact O-N 3.09Å
714T70.7Confident78.7Confident92 Ų9238.6 Ų38.656%0.56422%0.219SC*.Hα-helixtrans-52.9-35178.342.70000113.3I717 A718 L871T714-I717 PolarHBondContact O-N 3.18Å; T714-A718 VanDerWaalsContact O-CB 3.26Å; T714-A718 WeakPolarHBondContact O-CB 3.02Å; T714-A718 PolarHBondContact O-N 2.88Å; T714-L871 HydrophobicContact CG2-CD1 4.14Å
715E74.3Confident78.6Confident138 Ų13838.7 Ų38.765%0.64522%0.219SC*.Hα-helixtrans-64.4-51.5177.5-62.6159.6167.300111.9S713 I717 A718 A719S713-E715 PolarHBondContact O-N 2.9Å; S713-E715 VanDerWaalsContact O-N 3.14Å; E715-I717 VanDerWaalsContact C-N 3.25Å; E715-I717 PolarHBondContact O-N 2.95Å; E715-A718 PolarHBondContact O-N 3.41Å; E715-A719 PolarHBondContact O-N 2.94Å
716L79.3Confident78.3Confident1 Ų138.7 Ų38.71%0.00522%0.219CC..Hα-helixtrans-58.9-41.5177-171.492.5000110.8A671 A674 Q675 L709 R712 S713 A719 F720A671-L716 HydrophobicContact CB-CD2 4.22Å; A674-L716 HydrophobicContact CB-CD1 3.62Å; A674-L716 HydrophobicContact CB-CG 4.4Å; Q675-L716 HydrophobicContact CB-CD1 3.87Å; L709-L716 HydrophobicContact CD2-CD2 3.95Å; R712-L716 HydrophobicContact CB-CD2 3.67Å; R712-L716 HydrophobicContact CG-CD2 3.9Å; S713-L716 PolarHBondContact O-N 3.13Å; S713-L716 VanDerWaalsContact O-N 3.14Å; L716-A719 PolarHBondContact O-N 2.71Å; L716-F720 HydrophobicContact CG-CE2 4.47Å; L716-F720 WeakPolarHBondContact O-CD2 3.29Å; L716-F720 WeakPolarHBondContact O-CE2 3.42Å
717I75.5Confident78.2Confident3 Ų337.3 Ų37.32%0.01521%0.211CC..Hα-helixtrans-67.8-38.9-178.8-60165.8000110.7Y705 L709 R712 S713 T714 E715 L871Y705-I717 HydrophobicContact CE1-CG2 4.06Å; Y705-I717 WeakPolarHBondContact OH-CG2 3.43Å; Y705-I717 PolarHBondContact OH-O 3.43Å; L709-I717 HydrophobicContact CB-CG1 4.33Å; L709-I717 WeakPolarHBondContact O-CD1 3.43Å; L709-I717 WeakPolarHBondContact O-CG1 3.36Å; R712-I717 HydrophobicContact CB-CD1 4.44Å; R712-I717 HydrophobicContact CB-CG1 4.23Å; R712-I717 WeakPolarHBondContact O-CD1 3.45Å; S713-I717 WeakPolarHBondContact O-CD1 3.22Å; S713-I717 WeakPolarHBondContact O-CG1 3.32Å; S713-I717 PolarHBondContact O-N 3.41Å; S713-I717 VanDerWaalsContact O-N 3.09Å; T714-I717 PolarHBondContact O-N 3.18Å; E715-I717 VanDerWaalsContact C-N 3.25Å; E715-I717 PolarHBondContact O-N 2.95Å; I717-L871 HydrophobicContact CD1-CD1 3.93Å
718A72.2Confident77.7Confident50 Ų5036.2 Ų36.241%0.41321%0.205SC..Hα-helixtrans-74.6-20.9177.700000114.2T714 E715 F720T714-A718 VanDerWaalsContact O-CB 3.26Å; T714-A718 WeakPolarHBondContact O-CB 3.02Å; T714-A718 PolarHBondContact O-N 2.88Å; E715-A718 PolarHBondContact O-N 3.41Å; A718-F720 VanDerWaalsContact C-N 3.26Å; A718-F720 PolarHBondContact O-N 2.86Å
719A75Confident76.6Confident11 Ų1134.3 Ų34.39%0.09120%0.198CC..THydrogen-bonded Turntrans-68.7-21176.600000113.6I687 E715 L716I687-A719 HydrophobicContact CD1-CB 4.33Å; I687-A719 PolarHBondContact N-O 2.98Å; E715-A719 PolarHBondContact O-N 2.94Å; L716-A719 PolarHBondContact O-N 2.71Å
720F79.8Confident75.9Confident2 Ų234.9 Ų34.91%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-79.8124.6178.7-71.7-79.5000112.3L670 A674 I687 I689 Y705 L709 L716 A718 F722L670-F720 HydrophobicContact CB-CE1 4.23Å; L670-F720 HydrophobicContact CB-CZ 4.37Å; A674-F720 HydrophobicContact CB-CZ 4.17Å; I687-F720 HydrophobicContact CB-CD1 3.94Å; I687-F720 HydrophobicContact CB-CE1 4.21Å; I687-F720 HydrophobicContact CD1-CD1 4.33Å; I687-F720 HydrophobicContact CD1-CE1 4Å; I687-F720 HydrophobicContact CD1-CE2 4.46Å; I687-F720 HydrophobicContact CD1-CZ 4.06Å; I687-F720 HydrophobicContact CG2-CD1 3.72Å; I687-F720 HydrophobicContact CG2-CE1 3.71Å; I689-F720 HydrophobicContact CD1-CD1 3.54Å; I689-F720 HydrophobicContact CD1-CE1 3.87Å; I689-F720 HydrophobicContact CG1-CD1 4.32Å; Y705-F720 HydrophobicContact CE2-CB 4.3Å; L709-F720 HydrophobicContact CD1-CD2 4Å; L709-F720 HydrophobicContact CD1-CE2 3.89Å; L709-F720 HydrophobicContact CD1-CZ 4.43Å; L709-F720 HydrophobicContact CD2-CD2 4.41Å; L709-F720 HydrophobicContact CD2-CE2 3.74Å; L709-F720 HydrophobicContact CD2-CZ 4.44Å; L716-F720 HydrophobicContact CG-CE2 4.47Å; L716-F720 WeakPolarHBondContact O-CD2 3.29Å; L716-F720 WeakPolarHBondContact O-CE2 3.42Å; A718-F720 VanDerWaalsContact C-N 3.26Å; A718-F720 PolarHBondContact O-N 2.86Å; F720-F722 HydrophobicContact CB-CE2 3.73Å; F720-F722 HydrophobicContact CB-CZ 3.95Å; F720-F722 HydrophobicContact CG-CZ 4.47Å
721R74.8Confident75Confident68 Ų6833.5 Ų33.526%0.25719%0.189SC..EExtended strand (participates in β ladder)trans-115.6126.8170.9-67.8-165.3165.7-144.2-3.8110.7Y686 I687 I689 F723 A863Y686-R721 HydrophobicContact CD1-CG 3.64Å; Y686-R721 HydrophobicContact CE1-CG 4.39Å; Y686-R721 VanDerWaalsContact CG-CD 3.45Å; Y686-R721 HydrophobicContact CG-CG 3.8Å; Y686-R721 VanDerWaalsContact CG-NE 3.27Å; Y686-R721 PolarHBondContact OH-NH2 3.09Å; Y686-R721 VanDerWaalsContact OH-NH2 3.08Å; I687-R721 PolarHBondContact O-N 3.46Å; I689-R721 PolarHBondContact N-O 2.99Å; R721-F723 HydrophobicContact CB-CE2 4.24Å; R721-A863 HydrophobicContact CB-CB 4.19Å; R721-A863 VanDerWaalsContact CD-CB 3.43Å; R721-A863 HydrophobicContact CG-CB 3.66Å
722F81.2Confident74.2Confident5 Ų531.8 Ų31.82%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-103.4133.4179.4-59.3-89.7000111.9F667 I689 I691 V701 Y705 F720 F864 I866F667-F722 HydrophobicContact CE1-CE1 4.11Å; F667-F722 AromaticContact CE1-CZ 3.98Å; F667-F722 HydrophobicContact CE1-CZ 3.98Å; F667-F722 AromaticContact CZ-CE1 3.87Å; F667-F722 HydrophobicContact CZ-CE1 3.87Å; F667-F722 HydrophobicContact CZ-CZ 4.03Å; I689-F722 HydrophobicContact CB-CD1 3.77Å; I689-F722 HydrophobicContact CB-CE1 3.83Å; I689-F722 HydrophobicContact CD1-CD1 4.44Å; I689-F722 HydrophobicContact CD1-CE1 3.61Å; I689-F722 HydrophobicContact CD1-CZ 3.99Å; I689-F722 HydrophobicContact CG1-CE1 4.24Å; I689-F722 HydrophobicContact CG2-CD1 3.76Å; I689-F722 HydrophobicContact CG2-CE1 3.82Å; I689-F722 CarbonylContact O-C 3.59Å; I689-F722 WeakPolarHBondContact O-CA 3.24Å; I691-F722 HydrophobicContact CD1-CB 4.39Å; I691-F722 HydrophobicContact CD1-CD1 3.97Å; I691-F722 HydrophobicContact CG1-CD1 4.42Å; V701-F722 HydrophobicContact CG1-CD1 4.47Å; V701-F722 HydrophobicContact CG1-CE1 4.26Å; Y705-F722 HydrophobicContact CD2-CE1 4.45Å; Y705-F722 AromaticContact CD2-CE2 3.82Å; Y705-F722 HydrophobicContact CD2-CE2 3.82Å; Y705-F722 AromaticContact CD2-CZ 3.46Å; Y705-F722 HydrophobicContact CD2-CZ 3.46Å; Y705-F722 VanDerWaalsContact CD2-CZ 3.46Å; Y705-F722 AromaticContact CE2-CE2 3.47Å; Y705-F722 HydrophobicContact CE2-CE2 3.47Å; Y705-F722 VanDerWaalsContact CE2-CE2 3.47Å; Y705-F722 AromaticContact CE2-CZ 3.5Å; Y705-F722 HydrophobicContact CE2-CZ 3.5Å; Y705-F722 VanDerWaalsContact CE2-CZ 3.5Å; F720-F722 HydrophobicContact CB-CE2 3.73Å; F720-F722 HydrophobicContact CB-CZ 3.95Å; F720-F722 HydrophobicContact CG-CZ 4.47Å; F722-F864 HydrophobicContact CB-CB 4.27Å; F722-F864 HydrophobicContact CD2-CB 4.28Å; F722-I866 HydrophobicContact CD2-CD1 3.49Å; F722-I866 VanDerWaalsContact CD2-CD1 3.49Å; F722-I866 HydrophobicContact CD2-CG1 4.12Å; F722-I866 HydrophobicContact CE2-CD1 3.53Å; F722-I866 HydrophobicContact CE2-CG1 4.23Å; F722-I866 HydrophobicContact CG-CD1 4.09Å; F722-I866 HydrophobicContact CZ-CD1 4.12Å
723F82.1Confident72.9Confident11 Ų1131 Ų315%0.04817%0.169CC..EExtended strand (participates in β ladder)trans-113.8125.4170.5-61.1-91.9000107K688 I689 C690 I691 R721 Y854 L855K688-F723 HydrophobicContact CB-CD2 4.47Å; K688-F723 HydrophobicContact CB-CE2 4Å; K688-F723 HydrophobicContact CD-CE2 4.32Å; K688-F723 HydrophobicContact CG-CE2 3.98Å; I689-F723 PolarHBondContact O-N 2.68Å; C690-F723 CarbonylContact C-O 3.56Å; C690-F723 WeakPolarHBondContact CA-O 3.48Å; I691-F723 PolarHBondContact N-O 2.82Å; R721-F723 HydrophobicContact CB-CE2 4.24Å; F723-Y854 HydrophobicContact CB-CE1 3.95Å; F723-Y854 HydrophobicContact CD1-CE1 4.12Å; F723-L855 HydrophobicContact CB-CD2 4.17Å; F723-L855 HydrophobicContact CD1-CD2 3.81Å; F723-L855 HydrophobicContact CD2-CD2 3.73Å; F723-L855 HydrophobicContact CE1-CD2 4.1Å; F723-L855 HydrophobicContact CE2-CD2 4.04Å; F723-L855 HydrophobicContact CG-CD2 3.62Å; F723-L855 HydrophobicContact CZ-CD2 4.21Å
724I83Confident71.8Confident8 Ų828.8 Ų28.84%0.04115%0.152CC..EExtended strand (participates in β ladder)trans-100.4135.3178.9-62.1173.4000107.6I691 I698 F804 L808 Y815 Y854 F864I691-I724 HydrophobicContact CD1-CG1 4.28Å; I698-I724 HydrophobicContact CD1-CG2 3.72Å; I698-I724 HydrophobicContact CG1-CG2 4.26Å; I698-I724 HydrophobicContact CG2-CD1 4.49Å; I724-F804 HydrophobicContact CD1-CD1 4.07Å; I724-F804 HydrophobicContact CD1-CE1 3.72Å; I724-L808 HydrophobicContact CB-CD1 4.2Å; I724-L808 HydrophobicContact CD1-CD1 4.39Å; I724-L808 HydrophobicContact CG2-CD1 4.25Å; I724-Y815 WeakPolarHBondContact O-CE2 3.35Å; I724-Y854 WeakPolarHBondContact O-CE1 3.39Å; I724-F864 HydrophobicContact CD1-CE2 4Å
725I83.2Confident70.7Confident1 Ų127.8 Ų27.81%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-132.4123.8175-60.3-173.6000108.4C690 I691 L692 G693 F819 I851 Y854C690-I725 WeakPolarHBondContact SG-CD1 3.44Å; I691-I725 PolarHBondContact O-N 2.71Å; L692-I725 HydrophobicContact CD2-CB 3.76Å; L692-I725 HydrophobicContact CD2-CD1 4.44Å; L692-I725 HydrophobicContact CD2-CG2 3.66Å; L692-I725 HydrophobicContact CG-CB 4.5Å; G693-I725 PolarHBondContact N-O 2.59Å; I725-F819 HydrophobicContact CD1-CZ 4.36Å; I725-F819 HydrophobicContact CG1-CZ 4.32Å; I725-F819 HydrophobicContact CG2-CD1 4.49Å; I725-F819 HydrophobicContact CG2-CE1 3.89Å; I725-F819 HydrophobicContact CG2-CZ 4.1Å; I725-I851 HydrophobicContact CD1-CB 4.41Å; I725-I851 HydrophobicContact CD1-CG1 3.71Å; I725-Y854 HydrophobicContact CD1-CD1 4.04Å; I725-Y854 HydrophobicContact CG1-CD1 3.97Å; I725-Y854 HydrophobicContact CG1-CE1 4.11Å
726P77.6Confident69.4Low2 Ų225.7 Ų25.71%0.01313%0.134CC..  trans-80.1144.2-175.836.4-36.2000110.1T805 Y815 F819 L822P726-T805 HydrophobicContact CB-CG2 3.83Å; P726-T805 WeakPolarHBondContact CB-OG1 3.49Å; P726-T805 HydrophobicContact CG-CG2 3.7Å; P726-Y815 WeakPolarHBondContact CD-OH 3.5Å; P726-F819 HydrophobicContact CG-CB 3.88Å; P726-F819 HydrophobicContact CG-CD1 4.44Å; P726-F819 HydrophobicContact CG-CG 4.21Å; P726-L822 HydrophobicContact CG-CB 4.35Å; P726-L822 HydrophobicContact CG-CD1 4.16Å
727I77.5Confident67.7Low0 Ų026.9 Ų26.90%014%0.143CC..  trans-130-8.9178.767.4175.4000112.9S639 G640 V643 L692 G729 L730S639-I727 WeakPolarHBondContact CB-O 3.47Å; S639-I727 PolarHBondContact OG-O 3.31Å; G640-I727 VanDerWaalsContact CA-CD1 3.47Å; V643-I727 HydrophobicContact CG2-CG2 4.24Å; L692-I727 HydrophobicContact CB-CG2 4.28Å; L692-I727 HydrophobicContact CD2-CG2 4.09Å; I727-G729 PolarHBondContact O-N 2.83Å; I727-L730 HydrophobicContact CB-CD1 4.17Å; I727-L730 HydrophobicContact CG2-CD1 4.18Å; I727-L730 WeakPolarHBondContact O-CB 3.46Å; I727-L730 PolarHBondContact O-N 3.32Å
728D68.2Low66.2Low33 Ų3330.2 Ų30.218%0.17617%0.166CC..THydrogen-bonded Turntrans-55-38.1-176.7-37.743.5000110.7G694 N802G694-D728 WeakPolarHBondContact CA-OD1 3.28Å; G694-D728 VanDerWaalsContact CA-OD2 3.26Å; G694-D728 WeakPolarHBondContact CA-OD2 3.46Å; D728-N802 PolarHBondContact OD1-ND2 2.84Å; D728-N802 VanDerWaalsContact OD1-ND2 3.1Å; D728-N802 PolarHBondContact OD2-ND2 3.18Å
729G63.1Low64.4Low5 Ų530.7 Ų30.75%0.05217%0.167CC..THydrogen-bonded Turntrans-87.7-6.6179.200000116.6I727 T731 K732I727-G729 PolarHBondContact O-N 2.83Å; G729-T731 PolarHBondContact O-N 3.07Å; G729-T731 VanDerWaalsContact O-N 3.14Å; G729-K732 WeakPolarHBondContact O-CB 3.26Å; G729-K732 PolarHBondContact O-N 3.15Å
730L65.3Low62.6Low12 Ų1234.7 Ų34.76%0.06319%0.186CC..Hα-helixtrans-61.4-28.5-172.5-104.9164000113.3V643 I727 K732 F733 I734 L822 L843 L847V643-L730 HydrophobicContact CG2-CD1 3.58Å; I727-L730 HydrophobicContact CB-CD1 4.17Å; I727-L730 HydrophobicContact CG2-CD1 4.18Å; I727-L730 WeakPolarHBondContact O-CB 3.46Å; I727-L730 PolarHBondContact O-N 3.32Å; L730-K732 PolarHBondContact O-N 3.46Å; L730-F733 PolarHBondContact O-N 2.87Å; L730-I734 PolarHBondContact O-N 3.1Å; L730-L822 HydrophobicContact CG-CD2 4.19Å; L730-L843 HydrophobicContact CD2-CD1 3.97Å; L730-L843 HydrophobicContact CD2-CD2 4.45Å; L730-L843 HydrophobicContact CD2-CG 4.43Å; L730-L847 HydrophobicContact CD1-CD1 4.41Å
731T56.4Low60.8Low38 Ų3840.6 Ų40.623%0.23321%0.214CC..Hα-helixtrans-65-19.4175.5510000113.9G729G729-T731 PolarHBondContact O-N 3.07Å; G729-T731 VanDerWaalsContact O-N 3.14Å
732K57.5Low58.9Low62 Ų6243.5 Ų43.527%0.2723%0.23SC..Hα-helixtrans-82.8-40.5171.1-78-171167.7-168.90112.6G729 L730 I734 H735 N736 N824 S826G729-K732 WeakPolarHBondContact O-CB 3.26Å; G729-K732 PolarHBondContact O-N 3.15Å; L730-K732 PolarHBondContact O-N 3.46Å; K732-I734 VanDerWaalsContact C-N 3.25Å; K732-I734 PolarHBondContact O-N 3.22Å; K732-H735 PolarHBondContact O-N 3.24Å; K732-N736 PolarHBondContact O-N 2.77Å; K732-N824 VanDerWaalsContact CD-O 3.3Å; K732-N824 WeakPolarHBondContact CD-O 3.2Å; K732-N824 VanDerWaalsContact CE-O 3.29Å; K732-N824 WeakPolarHBondContact CE-O 3.5Å; K732-N824 PolarHBondContact NZ-O 3.31Å; K732-S826 PolarHBondContact NZ-OG 2.63Å
733F55.6Low56.7Low51 Ų5149.7 Ų49.722%0.22426%0.259CS..Hα-helixtrans-57.5-44.5178-168.9-90.3000110.7L730 H735 N736 S737 L822 L843 E846L730-F733 PolarHBondContact O-N 2.87Å; F733-H735 PolarHBondContact O-N 3.07Å; F733-N736 PolarHBondContact O-N 2.89Å; F733-S737 PolarHBondContact O-N 2.87Å; F733-S737 PolarHBondContact O-OG 3.3Å; F733-L822 HydrophobicContact CB-CD2 4.42Å; F733-L843 HydrophobicContact CD1-CD1 3.61Å; F733-L843 HydrophobicContact CE1-CD1 4.07Å; F733-E846 HydrophobicContact CE1-CG 4.33Å; F733-E846 HydrophobicContact CZ-CG 4.13Å
734I55.2Low54.4Low11 Ų1158.2 Ų58.26%0.05629%0.291CS..Hα-helixtrans-47-37.8169.8-83.6168.6000114.5I642 L730 K732 S737 M835 L843I642-I734 HydrophobicContact CD1-CD1 4.25Å; L730-I734 PolarHBondContact O-N 3.1Å; K732-I734 VanDerWaalsContact C-N 3.25Å; K732-I734 PolarHBondContact O-N 3.22Å; I734-S737 PolarHBondContact O-OG 3.31Å; I734-M835 HydrophobicContact CB-CE 4.49Å; I734-M835 HydrophobicContact CB-SD 4.24Å; I734-M835 HydrophobicContact CD1-SD 3.99Å; I734-M835 HydrophobicContact CG1-CE 4.49Å; I734-M835 HydrophobicContact CG1-SD 3.83Å; I734-M835 HydrophobicContact CG2-CE 3.74Å; I734-M835 HydrophobicContact CG2-SD 3.52Å; I734-M835 VanDerWaalsContact CG2-SD 3.52Å; I734-L843 HydrophobicContact CD1-CD2 3.72Å; I734-L843 HydrophobicContact CG1-CD1 4.16Å; I734-L843 HydrophobicContact CG1-CD2 3.65Å
735H49.2Very low52.1Low72 Ų7261.5 Ų61.533%0.33332%0.315SS..Hα-helixtrans-88.4-19-179.4-91.6-74000113.7K732 F733 S738K732-H735 PolarHBondContact O-N 3.24Å; F733-H735 PolarHBondContact O-N 3.07Å; H735-S738 PolarHBondContact O-OG 3.11Å
736N45.3Very low49.7Very low93 Ų9369.4 Ų69.450%0.49734%0.344SS..Hα-helixtrans-93.3-25.6179.9-78.52.7000113.2K732 F733 S738 S739 L740K732-N736 PolarHBondContact O-N 2.77Å; F733-N736 PolarHBondContact O-N 2.89Å; N736-S738 VanDerWaalsContact C-N 3.28Å; N736-S738 PolarHBondContact O-N 2.85Å; N736-S739 PolarHBondContact O-N 2.86Å; N736-S739 PolarHBondContact O-OG 3.38Å; N736-L740 WeakPolarHBondContact O-CB 3.48Å; N736-L740 PolarHBondContact O-N 2.95Å
737S45.1Very low47.7Very low26 Ų2674.9 Ų74.918%0.18237%0.373CS..Hα-helixtrans-60.3-37.4177.148.30000112.4F733 I734F733-S737 PolarHBondContact O-N 2.87Å; F733-S737 PolarHBondContact O-OG 3.3Å; I734-S737 PolarHBondContact O-OG 3.31Å
738S42.7Very low45.7Very low73 Ų7380.8 Ų80.851%0.5141%0.405SS..Hα-helixtrans-74.1-28176.552.90000113.8H735 N736H735-S738 PolarHBondContact O-OG 3.11Å; N736-S738 VanDerWaalsContact C-N 3.28Å; N736-S738 PolarHBondContact O-N 2.85Å
739S35.3Very low44Very low60 Ų6085.1 Ų85.142%0.4243%0.428SS..Hα-helixtrans-80.9-36.1173.559.70000113.2N736 Q741 H742N736-S739 PolarHBondContact O-N 2.86Å; N736-S739 PolarHBondContact O-OG 3.38Å; S739-Q741 VanDerWaalsContact C-N 3.35Å; S739-Q741 PolarHBondContact O-N 2.74Å; S739-H742 PolarHBondContact O-N 2.75Å; S739-H742 VanDerWaalsContact O-N 3.14Å
740L37.2Very low42.6Very low96 Ų9693.5 Ų93.550%0.50347%0.468SS..Hα-helixtrans-66.2-31.5-174.6-91.3161.1000113.7N736 H742 R744N736-L740 WeakPolarHBondContact O-CB 3.48Å; N736-L740 PolarHBondContact O-N 2.95Å; L740-H742 VanDerWaalsContact C-N 3.34Å; L740-H742 PolarHBondContact O-N 2.95Å; L740-R744 PolarHBondContact O-N 3.33Å; L740-R744 VanDerWaalsContact O-N 3.1Å
741Q41.3Very low41.1Very low126 Ų126102.4 Ų102.459%0.58951%0.506SS*.Hα-helixtrans-65.3-35.9173.2-73.8-155.41.600112.4S739 Q743 R744 S745S739-Q741 VanDerWaalsContact C-N 3.35Å; S739-Q741 PolarHBondContact O-N 2.74Å; Q741-Q743 VanDerWaalsContact C-N 3.34Å; Q741-Q743 PolarHBondContact O-N 2.79Å; Q741-R744 PolarHBondContact O-N 2.9Å; Q741-S745 WeakPolarHBondContact O-CB 3.44Å; Q741-S745 PolarHBondContact O-N 2.9Å
742H36.2Very low39.8Very low129 Ų129104.2 Ų104.260%0.59752%0.524SS*.Hα-helixtrans-72.8-24.1-176.6-116.4-16.2000114S739 L740 R746S739-H742 PolarHBondContact O-N 2.75Å; S739-H742 VanDerWaalsContact O-N 3.14Å; L740-H742 VanDerWaalsContact C-N 3.34Å; L740-H742 PolarHBondContact O-N 2.95Å; H742-R746 WeakPolarHBondContact O-CB 3.36Å
743Q33.3Very low38.4Very low134 Ų134108.2 Ų108.263%0.62655%0.549SS*.Hα-helixtrans-85-42.2169.1-77.1-172.4-69.400113.2Q741 S745 R746 N747Q741-Q743 VanDerWaalsContact C-N 3.34Å; Q741-Q743 PolarHBondContact O-N 2.79Å; Q743-S745 PolarHBondContact O-N 3.39Å; Q743-R746 PolarHBondContact O-N 3.2Å; Q743-N747 WeakPolarHBondContact O-CB 3.25Å; Q743-N747 PolarHBondContact O-N 2.97Å
744R33.9Very low37.2Very low191 Ų191114.2 Ų114.272%0.72158%0.578SS**Hα-helixtrans-66.5-35.3176.8-87.2-174.9167.4170.1-2.5113.1L740 Q741 N748L740-R744 PolarHBondContact O-N 3.33Å; L740-R744 VanDerWaalsContact O-N 3.1Å; Q741-R744 PolarHBondContact O-N 2.9Å; R744-N748 PolarHBondContact O-N 2.84Å
745S34.6Very low36.1Very low77 Ų77121.6 Ų121.654%0.53862%0.615SS.*Hα-helixtrans-68.8-42175-179.90000112.2Q741 Q743 L749Q741-S745 WeakPolarHBondContact O-CB 3.44Å; Q741-S745 PolarHBondContact O-N 2.9Å; Q743-S745 PolarHBondContact O-N 3.39Å; S745-L749 WeakPolarHBondContact O-CB 3.45Å; S745-L749 PolarHBondContact O-N 2.89Å
746R33.7Very low35.1Very low167 Ų167123.2 Ų123.263%0.6364%0.635SS**Hα-helixtrans-68.3-41.9177.7-84.7-174.2144.6902.6113.4H742 Q743 N748 L749 M750H742-R746 WeakPolarHBondContact O-CB 3.36Å; Q743-R746 PolarHBondContact O-N 3.2Å; R746-N748 PolarHBondContact O-N 3.5Å; R746-L749 PolarHBondContact O-N 3.13Å; R746-M750 PolarHBondContact O-N 3.28Å
747N34.4Very low34.4Very low116 Ų116127 Ų12762%0.6265%0.65SS**Hα-helixtrans-73.9-25.5-175.5-70.410000113.3Q743Q743-N747 WeakPolarHBondContact O-CB 3.25Å; Q743-N747 PolarHBondContact O-N 2.97Å
748N36.5Very low33.9Very low124 Ų124134.1 Ų134.166%0.66368%0.684SS**Hα-helixtrans-81.9-23.3173.1-72.41.2000113R744 R746R744-N748 PolarHBondContact O-N 2.84Å; R746-N748 PolarHBondContact O-N 3.5Å
749L33.4Very low33.4Very low125 Ų125134.1 Ų134.165%0.65470%0.695SS**Hα-helixtrans-80.1-14.6179.1-169.356.7000113.8S745 R746S745-L749 WeakPolarHBondContact O-CB 3.45Å; S745-L749 PolarHBondContact O-N 2.89Å; R746-L749 PolarHBondContact O-N 3.13Å
750M32.6Very low33Very low181 Ų181136.5 Ų136.589%0.89271%0.712SS**THydrogen-bonded Turntrans-96.81.5173.8-85-172.6157.700114.8R746R746-M750 PolarHBondContact O-N 3.28Å
751K33.6Very low32.9Very low199 Ų199140.5 Ų140.587%0.86573%0.728SS**SBendtrans-119.117.8179.6-139.9175.2-175.1-178.80114.1
752A29.5Very low32.5Very low75 Ų75142.3 Ų142.362%0.6274%0.736SS**SBendtrans-129.414.5-175.200000114.3
753N28.9Very low32.1Very low146 Ų146145.8 Ų145.878%0.78174%0.744SS**SBendtrans-127.936.4-175-102.5-6.8000113.1
754Q29Very low31.8Very low178 Ų178145.3 Ų145.383%0.83274%0.742SS**SBendtrans-138.8138164-72.2-168.4-6.600110.1
755I33.6Very low31.6Very low166 Ų166142.8 Ų142.885%0.85174%0.738SS**  trans66.179173-44.4171.5000114.8
756S27.7Very low31.2Very low106 Ų106149.2 Ų149.274%0.74175%0.751SS**  trans-99.6169.8130.660.50000109
757E30Very low30.8Very low173 Ų173146.7 Ų146.781%0.80875%0.754SS**  trans69.799.4-179.6-51.6-167.1145.100116.3
758I34.4Very low30.3Very low175 Ų175148.7 Ų148.790%0.89776%0.762SS**  -171.3142106.7-93.6159.6000110.2
759G31.9Very low29.7Very low73 Ų73149.2 Ų149.275%0.75376%0.764SS**  trans65.791.8142.600000119.4
760S27.8Very low29.5Very low110 Ų110149.9 Ų149.977%0.76977%0.774SS**  trans-79.9141.5162.249.30000112.6
761Q34.3Very low29.2Very low179 Ų179146 Ų14684%0.83676%0.764SS**  trans-170.6127.6143-107.716056.600116.1
762Q34Very low29.1Very low164 Ų164144.9 Ų144.977%0.76677%0.766SS**  72.777127.9-151.3159.43.400123.7
763R27Very low28.9Very low202 Ų202147.8 Ų147.876%0.76277%0.771SS**  45.7125.8109.6-169.6179.9-156.4-126.719.1121.7
764Q28.1Very low28.8Very low125 Ų125147 Ų14758%0.58477%0.772SS**  trans72154.1155.9-72.1169.7-39.500117.3
765Q28.7Very low28.7Very low137 Ų137141.7 Ų141.764%0.6476%0.764SS**  cis-164.3147.8-6.5-124.4173.2-600111.7
766R26.1Very low28.2Very low213 Ų213144.9 Ų144.980%0.80477%0.766SS**  trans61.3160.9154.4-64.8-174.4-179.3-156.4-0.2117.8
767T26.4Very low28.2Very low113 Ų113145.4 Ų145.469%0.69376%0.76SS**  cis-161.9148.3-24.323.60000110
768M23.9Very low28.2Very low159 Ų159145.6 Ų145.678%0.78376%0.761SS**  trans69.7132.5151.5-67-36.2-136.100123.6
769D24Very low28Very low134 Ų134141.4 Ų141.472%0.71775%0.747SS**  trans88.3131.1132.6-65.5-16.7000126
770T28.8Very low27.7Very low139 Ų139145.4 Ų145.485%0.85375%0.752SS**  trans91.6135.9154.6-32.40000119.3
771S25.6Very low27.8Very low99 Ų99146 Ų14669%0.69275%0.75SS**  trans-97.4158.9179.656.20000113.5
772I31.4Very low27.4Very low176 Ų176144.2 Ų144.290%0.90375%0.746SS**  trans-171.3178135.2-98.9154.5000110
773N24.6Very low27.3Very low137 Ų137143.9 Ų143.973%0.73375%0.75SS**  trans-117170.6-151.6-169.59.2000114.3
774T27Very low27.5Very low130 Ų130139.3 Ų139.380%0.79875%0.749SS**  trans87.1145.1160.172.80000121.8
775G26.8Very low27.4Very low65 Ų65141.6 Ų141.667%0.6777%0.765SS**  trans10189.6167.400000116.5
776W24Very low27.3Very low234 Ų234139.6 Ų139.689%0.88677%0.766SS**  51.1108.972.8-68.449.6000112.6
777N27.7Very low27.4Very low116 Ų116137.3 Ų137.362%0.6277%0.77SS**  -179.1152.151.4-100-14.7000112.9
778H29.3Very low27.4Very low178 Ų178142 Ų14282%0.82478%0.775SS**  trans59.5143.9157.2-67.6-59.8000120.1
779S29.9Very low27.6Very low87 Ų87141.2 Ų141.261%0.60878%0.779SS**  cis-162.4142.6-2.748.80000113.1
780N25.9Very low27.6Very low157 Ų157139.3 Ų139.384%0.8478%0.777SS**  trans64.8147.3163.5-52.9-11.3000115.7
781V31Very low27.4Very low123 Ų123140 Ų14075%0.74577%0.774SS**  cis-131.4159.417.1173.10000110.8
782N26Very low27.4Very low141 Ų141141 Ų14175%0.75478%0.778SS**  trans-21.4142.1160.2-36.5-17.8000114.5
783D30.3Very low27.1Very low156 Ų156137.5 Ų137.583%0.83477%0.769SS**  cis-136.9176.846.5-96.1-42.4000114.9
784S31Very low27.2Very low106 Ų106138.6 Ų138.674%0.74177%0.773SS**  trans-143.387.3175.1-670000112.1S786S784-S786 PolarHBondContact O-N 3.41Å; S784-S786 PolarHBondContact O-OG 3.02Å; S784-S786 VanDerWaalsContact O-OG 3.14Å
785D27.2Very low27.1Very low174 Ų174141.2 Ų141.293%0.9378%0.776SS**  trans-52.7113.3168.9-92.6-41.3000110.1
786S26.3Very low27Very low94 Ų94141.6 Ų141.666%0.65777%0.773SS**  trans-142.942.9179.948.30000110S784 R788S784-S786 PolarHBondContact O-N 3.41Å; S784-S786 PolarHBondContact O-OG 3.02Å; S784-S786 VanDerWaalsContact O-OG 3.14Å; S786-R788 VanDerWaalsContact C-N 3.31Å; S786-R788 PolarHBondContact O-N 3.5Å
787D27.9Very low27.1Very low165 Ų165136.8 Ų136.888%0.88278%0.775SS**  trans-6987.6-177.9-142.816.5000109.8
788R27.8Very low27Very low212 Ų212136.1 Ų136.180%0.878%0.775SS**  trans-65.4140.6-175.9-74.6176.7169.1-162-4.1110.2S786 S790S786-R788 VanDerWaalsContact C-N 3.31Å; S786-R788 PolarHBondContact O-N 3.5Å; R788-S790 PolarHBondContact O-N 2.99Å
789T26.9Very low27.2Very low142 Ų142137.6 Ų137.687%0.87178%0.775SS**  trans-69.658.5162.142.20000111.8L791T789-L791 PolarHBondContact O-N 3.05Å
790S23.2Very low27.6Very low95 Ų95137.4 Ų137.466%0.66476%0.764SS**  trans-78115.2173.147.40000110.7R788R788-S790 PolarHBondContact O-N 2.99Å
791L25.5Very low28.8Very low154 Ų154133.9 Ų133.981%0.80675%0.745SS**PPolyproline II helixtrans-56.1143.6166.3-73.774.2000109.6T789 S793T789-L791 PolarHBondContact O-N 3.05Å; L791-S793 PolarHBondContact O-N 3.26Å; L791-S793 VanDerWaalsContact O-N 3.17Å
792P25.8Very low30.2Very low119 Ų119128.3 Ų128.377%0.77371%0.711SS**PPolyproline II helixtrans-61.9119.9170.926.8-33.4000109.3I794P792-I794 PolarHBondContact O-N 3.47Å
793S24.1Very low32Very low103 Ų103124.7 Ų124.772%0.7269%0.691SS**PPolyproline II helixtrans-63.4122.7-177.756.50000111L791 H795L791-S793 PolarHBondContact O-N 3.26Å; L791-S793 VanDerWaalsContact O-N 3.17Å; S793-H795 PolarHBondContact O-N 2.69Å
794I28Very low33.6Very low159 Ų159117.4 Ų117.482%0.81565%0.652SS**  trans-75.976.7-179.4-52.6178.7000110P792P792-I794 PolarHBondContact O-N 3.47Å
795H24.6Very low35.3Very low185 Ų185112.4 Ų112.486%0.85662%0.617SS**  trans-135.757.1172.3-93.8-69.5000111S793S793-H795 PolarHBondContact O-N 2.69Å
796A24.9Very low37.2Very low74 Ų74105.3 Ų105.361%0.61258%0.581SS**  trans-131.610016900000109.4T798A796-T798 VanDerWaalsContact C-N 3.3Å; A796-T798 PolarHBondContact O-N 2.85Å
797S25.3Very low39Very low132 Ų132101.9 Ų101.992%0.92355%0.554SS**  trans-79.476.7178.757.10000111
798T27Very low41.1Very low102 Ų10294.7 Ų94.763%0.62652%0.516SS*.  trans-123.1140.3179.1-46.90000109.5A796 F800A796-T798 VanDerWaalsContact C-N 3.3Å; A796-T798 PolarHBondContact O-N 2.85Å; T798-F800 PolarHBondContact O-N 3.43Å
799Y31.6Very low43.2Very low210 Ų21086.1 Ų86.182%0.82449%0.488SS*.  trans-57.6118.6-170.6-70.5-98.7000113.2
800F39.5Very low45.2Very low83 Ų8385.4 Ų85.436%0.36448%0.475SS..  trans-90.7117.5169-69.7-82.5000110.1T798 C823 N824T798-F800 PolarHBondContact O-N 3.43Å; F800-C823 HydrophobicContact CD1-CB 4.07Å; F800-C823 HydrophobicContact CE1-CB 4.01Å; F800-N824 WeakPolarHBondContact CE1-OD1 3.42Å
801N50.6Low47.1Very low83 Ų8382.2 Ų82.244%0.44445%0.45SS..SBendtrans-77.4-29.2179.6-72.8-2.4000113.4E825N801-E825 HydrophobicContact CB-CB 4.05Å; N801-E825 VanDerWaalsContact CB-OE2 3.28Å; N801-E825 WeakPolarHBondContact CB-OE2 3.42Å; N801-E825 VanDerWaalsContact ND2-CD 3.27Å; N801-E825 PolarHBondContact ND2-OE2 3.38Å
802N60.1Low49.1Very low5 Ų575.5 Ų75.53%0.02742%0.415CS..  trans-102.389.5174-165.5-28.1000112N695 D728 F804 T805 S806N695-N802 VanDerWaalsContact ND2-CG 3.31Å; N695-N802 PolarHBondContact ND2-OD1 2.82Å; N695-N802 VanDerWaalsContact ND2-OD1 3.14Å; D728-N802 PolarHBondContact OD1-ND2 2.84Å; D728-N802 VanDerWaalsContact OD1-ND2 3.1Å; D728-N802 PolarHBondContact OD2-ND2 3.18Å; N802-F804 VanDerWaalsContact C-N 3.27Å; N802-F804 PolarHBondContact O-N 2.88Å; N802-F804 VanDerWaalsContact OD1-CB 3.3Å; N802-F804 WeakPolarHBondContact OD1-CB 3.28Å; N802-F804 PolarHBondContact OD1-N 3.09Å; N802-T805 PolarHBondContact ND2-OG1 3.18Å; N802-T805 PolarHBondContact O-N 3.15Å; N802-T805 PolarHBondContact OD1-N 3.05Å; N802-T805 VanDerWaalsContact OD1-N 3.11Å; N802-T805 PolarHBondContact OD1-OG1 3.21Å; N802-S806 PolarHBondContact O-N 3.48Å; N802-S806 VanDerWaalsContact O-N 3.11Å
803L63.7Low51.2Low66 Ų6674.9 Ų74.935%0.34641%0.411SS..Hα-helixtrans-58.5-35.1175.9-70.8120.6000113.3S806 H807 C950L803-S806 PolarHBondContact O-N 3.24Å; L803-H807 WeakPolarHBondContact O-CB 3.39Å; L803-H807 PolarHBondContact O-N 3.44Å; L803-C950 HydrophobicContact CD1-CB 3.9Å; L803-C950 HydrophobicContact CD2-CB 4.14Å
804F64.4Low53.5Low2 Ų273 Ų731%0.00939%0.392CS..Hα-helixtrans-62.4-48.9178.7-119.6-79.5000111.2I698 I724 N802 H807 L808 F941 I942 V945I698-F804 HydrophobicContact CD1-CB 4.15Å; I698-F804 HydrophobicContact CD1-CD1 4.24Å; I698-F804 HydrophobicContact CD1-CD2 4.24Å; I698-F804 HydrophobicContact CD1-CG 3.96Å; I698-F804 HydrophobicContact CG2-CD2 4.22Å; I698-F804 HydrophobicContact CG2-CE1 4.19Å; I698-F804 HydrophobicContact CG2-CE2 3.69Å; I698-F804 HydrophobicContact CG2-CZ 3.66Å; I724-F804 HydrophobicContact CD1-CD1 4.07Å; I724-F804 HydrophobicContact CD1-CE1 3.72Å; N802-F804 VanDerWaalsContact C-N 3.27Å; N802-F804 PolarHBondContact O-N 2.88Å; N802-F804 VanDerWaalsContact OD1-CB 3.3Å; N802-F804 WeakPolarHBondContact OD1-CB 3.28Å; N802-F804 PolarHBondContact OD1-N 3.09Å; F804-H807 PolarHBondContact O-N 3.14Å; F804-L808 HydrophobicContact CD1-CD1 4.14Å; F804-L808 WeakPolarHBondContact O-CB 3.42Å; F804-L808 WeakPolarHBondContact O-CG 3.36Å; F804-L808 PolarHBondContact O-N 3.5Å; F804-F941 HydrophobicContact CD1-CE1 4.01Å; F804-F941 AromaticContact CD2-CE1 3.96Å; F804-F941 HydrophobicContact CD2-CE1 3.96Å; F804-F941 HydrophobicContact CE1-CE1 4.13Å; F804-F941 HydrophobicContact CE2-CE1 4.08Å; F804-F941 AromaticContact CG-CE1 3.94Å; F804-F941 HydrophobicContact CG-CE1 3.94Å; F804-F941 HydrophobicContact CZ-CD1 4.5Å; F804-F941 HydrophobicContact CZ-CE1 4.17Å; F804-I942 HydrophobicContact CE1-CD1 3.97Å; F804-I942 HydrophobicContact CE1-CG1 4.18Å; F804-I942 HydrophobicContact CZ-CD1 3.59Å; F804-I942 HydrophobicContact CZ-CG1 3.69Å; F804-V945 HydrophobicContact CD2-CB 4.47Å; F804-V945 HydrophobicContact CD2-CG1 4.01Å; F804-V945 HydrophobicContact CD2-CG2 4.1Å; F804-V945 HydrophobicContact CE2-CB 3.97Å; F804-V945 HydrophobicContact CE2-CG1 3.75Å; F804-V945 HydrophobicContact CE2-CG2 3.91Å
805T67.7Low55.9Low2 Ų265.4 Ų65.41%0.01235%0.353CS..Hα-helixtrans-63.4-46.1177.5-41.60000111.1P726 N802 H807 L808 C809 Y815 C823P726-T805 HydrophobicContact CB-CG2 3.83Å; P726-T805 WeakPolarHBondContact CB-OG1 3.49Å; P726-T805 HydrophobicContact CG-CG2 3.7Å; N802-T805 PolarHBondContact ND2-OG1 3.18Å; N802-T805 PolarHBondContact O-N 3.15Å; N802-T805 PolarHBondContact OD1-N 3.05Å; N802-T805 VanDerWaalsContact OD1-N 3.11Å; N802-T805 PolarHBondContact OD1-OG1 3.21Å; T805-H807 VanDerWaalsContact C-N 3.28Å; T805-H807 PolarHBondContact O-N 3.19Å; T805-L808 PolarHBondContact O-N 3.11Å; T805-C809 WeakPolarHBondContact O-CB 3.3Å; T805-C809 PolarHBondContact O-N 3.29Å; T805-C809 PolarHBondContact O-SG 3.26Å; T805-Y815 HydrophobicContact CG2-CE1 3.76Å; T805-C823 WeakPolarHBondContact CG2-SG 3.47Å
806S67.1Low58.3Low24 Ų2457.1 Ų57.117%0.16832%0.318CS..Hα-helixtrans-56.8-41.1179.3-170.50000112.2N802 L803 Q810N802-S806 PolarHBondContact O-N 3.48Å; N802-S806 VanDerWaalsContact O-N 3.11Å; L803-S806 PolarHBondContact O-N 3.24Å; S806-Q810 WeakPolarHBondContact O-CG 3.24Å; S806-Q810 PolarHBondContact O-NE2 3.28Å
807H64.2Low60.8Low22 Ų2257.9 Ų57.910%0.10232%0.319CS..Hα-helixtrans-75.8-40.7177.5-166.639.2000112.9L803 F804 T805 C809 Q810 I811 F941L803-H807 WeakPolarHBondContact O-CB 3.39Å; L803-H807 PolarHBondContact O-N 3.44Å; F804-H807 PolarHBondContact O-N 3.14Å; T805-H807 VanDerWaalsContact C-N 3.28Å; T805-H807 PolarHBondContact O-N 3.19Å; H807-C809 VanDerWaalsContact C-N 3.3Å; H807-C809 PolarHBondContact O-N 3.1Å; H807-Q810 WeakPolarHBondContact O-CA 3.43Å; H807-Q810 WeakPolarHBondContact O-CB 3.48Å; H807-Q810 PolarHBondContact O-N 2.74Å; H807-I811 WeakPolarHBondContact O-CG1 3.46Å; H807-I811 PolarHBondContact O-N 3.12Å; H807-I811 VanDerWaalsContact O-N 3.1Å; H807-F941 HydrophobicContact CB-CE1 4.3Å; H807-F941 HydrophobicContact CB-CE2 3.92Å; H807-F941 HydrophobicContact CB-CZ 3.8Å; H807-F941 AromaticContact CD2-CD1 3.67Å; H807-F941 AromaticContact CD2-CD2 3.37Å; H807-F941 WeakPolarHBondContact CD2-CD2 3.29Å; H807-F941 AromaticContact CD2-CE1 3.94Å; H807-F941 AromaticContact CD2-CE2 3.67Å; H807-F941 AromaticContact CD2-CG 3.37Å; H807-F941 WeakPolarHBondContact CD2-CG 3.49Å; H807-F941 AromaticContact CD2-CZ 3.94Å; H807-F941 AromaticContact CG-CE2 3.98Å; H807-F941 AromaticContact NE2-CD2 3.91Å; H807-F941 AromaticContact NE2-CG 3.89Å
808L70.6Confident63.3Low14 Ų1452.5 Ų52.57%0.07328%0.279CS..Hα-helixtrans-62.1-36.4175.7-74.2172.5000112.3I724 F804 T805 Q810 I811 D812 Y815I724-L808 HydrophobicContact CB-CD1 4.2Å; I724-L808 HydrophobicContact CD1-CD1 4.39Å; I724-L808 HydrophobicContact CG2-CD1 4.25Å; F804-L808 HydrophobicContact CD1-CD1 4.14Å; F804-L808 WeakPolarHBondContact O-CB 3.42Å; F804-L808 WeakPolarHBondContact O-CG 3.36Å; F804-L808 PolarHBondContact O-N 3.5Å; T805-L808 PolarHBondContact O-N 3.11Å; L808-Q810 PolarHBondContact O-N 3.34Å; L808-I811 PolarHBondContact O-N 3.22Å; L808-D812 PolarHBondContact O-N 3.12Å; L808-Y815 HydrophobicContact CB-CD1 3.58Å; L808-Y815 HydrophobicContact CB-CE1 3.3Å; L808-Y815 HydrophobicContact CB-CE2 4.4Å; L808-Y815 HydrophobicContact CB-CG 4.23Å; L808-Y815 HydrophobicContact CD1-CE1 4.21Å; L808-Y815 HydrophobicContact CD1-CE2 4.11Å; L808-Y815 HydrophobicContact CG-CE1 4.4Å
809C73.1Confident65.9Low32 Ų3247.7 Ų47.722%0.21625%0.25CC..Hα-helixtrans-66.4-16.6172.1-67.40000114.2T805 H807 Y815 C823T805-C809 WeakPolarHBondContact O-CB 3.3Å; T805-C809 PolarHBondContact O-N 3.29Å; T805-C809 PolarHBondContact O-SG 3.26Å; H807-C809 VanDerWaalsContact C-N 3.3Å; H807-C809 PolarHBondContact O-N 3.1Å; C809-Y815 HydrophobicContact CB-CD1 4.45Å; C809-Y815 VanDerWaalsContact SG-CD1 3.56Å; C809-C823 VanDerWaalsContact SG-SG 3.69Å
810Q67.3Low67.8Low127 Ų12740.4 Ų40.459%0.59323%0.23SC*.Hα-helixtrans-90.3-27.5172.9-64.3161.716.700112.2S806 H807 L808S806-Q810 WeakPolarHBondContact O-CG 3.24Å; S806-Q810 PolarHBondContact O-NE2 3.28Å; H807-Q810 WeakPolarHBondContact O-CA 3.43Å; H807-Q810 WeakPolarHBondContact O-CB 3.48Å; H807-Q810 PolarHBondContact O-N 2.74Å; L808-Q810 PolarHBondContact O-N 3.34Å
811I64.1Low69Low29 Ų2941.7 Ų41.715%0.14924%0.237CC..Hα-helixtrans-85.3-42.4-178.7-65156.4000111.5H807 L808 Y862 V938H807-I811 WeakPolarHBondContact O-CG1 3.46Å; H807-I811 PolarHBondContact O-N 3.12Å; H807-I811 VanDerWaalsContact O-N 3.1Å; L808-I811 PolarHBondContact O-N 3.22Å; I811-Y862 HydrophobicContact CG2-CD2 4Å; I811-Y862 HydrophobicContact CG2-CE2 3.77Å; I811-V938 HydrophobicContact CD1-CG2 3.79Å
812D68Low69.7Low13 Ų1338.4 Ų38.47%0.0722%0.219CC..  trans-120.7113.3-179173.729.4000112L808 I814 Y815 G816 V861L808-D812 PolarHBondContact O-N 3.12Å; D812-I814 PolarHBondContact O-N 3.46Å; D812-I814 WeakPolarHBondContact OD1-CB 3.26Å; D812-I814 PolarHBondContact OD1-N 3.45Å; D812-Y815 PolarHBondContact O-N 3.05Å; D812-Y815 WeakPolarHBondContact OD2-CB 3.5Å; D812-Y815 PolarHBondContact OD2-N 3.04Å; D812-G816 PolarHBondContact O-N 3.29Å; D812-V861 HydrophobicContact CB-CG1 3.83Å; D812-V861 HydrophobicContact CB-CG2 4.1Å; D812-V861 VanDerWaalsContact OD2-CG2 3.22Å; D812-V861 WeakPolarHBondContact OD2-CG2 3.45Å
813P69.3Low69.4Low106 Ų10638.6 Ų38.669%0.68822%0.221SC*.Hα-helixtrans-59.9-27.3172.8-24.234.8000114.3S817P813-S817 WeakPolarHBondContact O-CB 3.26Å; P813-S817 PolarHBondContact O-N 2.78Å
814I72.8Confident68.8Low62 Ų6239.9 Ų39.932%0.31823%0.228SC..Hα-helixtrans-71.6-52.4179.3-57.4178000109.2D812 G816 S817 L818D812-I814 PolarHBondContact O-N 3.46Å; D812-I814 WeakPolarHBondContact OD1-CB 3.26Å; D812-I814 PolarHBondContact OD1-N 3.45Å; I814-G816 VanDerWaalsContact C-N 3.26Å; I814-G816 PolarHBondContact O-N 2.97Å; I814-S817 PolarHBondContact O-N 2.74Å; I814-S817 PolarHBondContact O-OG 2.94Å; I814-L818 HydrophobicContact CG2-CD1 3.98Å; I814-L818 WeakPolarHBondContact O-CG 3.26Å; I814-L818 PolarHBondContact O-N 2.9Å
815Y79.1Confident68Low1 Ų143.7 Ų43.70%0.00425%0.246CC..Hα-helixtrans-54.7-42170.5-174.4-87.9000112I724 P726 T805 L808 C809 D812 L818 F819 Y854I724-Y815 WeakPolarHBondContact O-CE2 3.35Å; P726-Y815 WeakPolarHBondContact CD-OH 3.5Å; T805-Y815 HydrophobicContact CG2-CE1 3.76Å; L808-Y815 HydrophobicContact CB-CD1 3.58Å; L808-Y815 HydrophobicContact CB-CE1 3.3Å; L808-Y815 HydrophobicContact CB-CE2 4.4Å; L808-Y815 HydrophobicContact CB-CG 4.23Å; L808-Y815 HydrophobicContact CD1-CE1 4.21Å; L808-Y815 HydrophobicContact CD1-CE2 4.11Å; L808-Y815 HydrophobicContact CG-CE1 4.4Å; C809-Y815 HydrophobicContact CB-CD1 4.45Å; C809-Y815 VanDerWaalsContact SG-CD1 3.56Å; D812-Y815 PolarHBondContact O-N 3.05Å; D812-Y815 WeakPolarHBondContact OD2-CB 3.5Å; D812-Y815 PolarHBondContact OD2-N 3.04Å; Y815-L818 PolarHBondContact O-N 3.12Å; Y815-F819 HydrophobicContact CD1-CD2 4.39Å; Y815-F819 AromaticContact CD2-CD2 3.45Å; Y815-F819 HydrophobicContact CD2-CD2 3.45Å; Y815-F819 VanDerWaalsContact CD2-CD2 3.45Å; Y815-F819 AromaticContact CD2-CE2 3.84Å; Y815-F819 HydrophobicContact CD2-CE2 3.84Å; Y815-F819 HydrophobicContact CE1-CB 4.46Å; Y815-F819 AromaticContact CE2-CD2 3.66Å; Y815-F819 HydrophobicContact CE2-CD2 3.66Å; Y815-F819 HydrophobicContact CE2-CE2 4.13Å; Y815-F819 HydrophobicContact CE2-CG 4.49Å; Y815-F819 AromaticContact CG-CD2 3.87Å; Y815-F819 HydrophobicContact CG-CD2 3.87Å; Y815-F819 WeakPolarHBondContact O-CB 3.41Å; Y815-F819 PolarHBondContact O-N 2.78Å; Y815-Y854 HydrophobicContact CD2-CE1 4.42Å; Y815-Y854 AromaticContact CD2-CE2 3.85Å; Y815-Y854 HydrophobicContact CD2-CE2 3.85Å; Y815-Y854 AromaticContact CD2-CZ 3.75Å
816G74.4Confident66.5Low11 Ų1147.1 Ų47.111%0.11327%0.27CS..Hα-helixtrans-50.3-58.1168.100000112D812 I814 L818 F819 S820D812-G816 PolarHBondContact O-N 3.29Å; I814-G816 VanDerWaalsContact C-N 3.26Å; I814-G816 PolarHBondContact O-N 2.97Å; G816-L818 VanDerWaalsContact C-N 3.28Å; G816-L818 PolarHBondContact O-N 2.91Å; G816-F819 PolarHBondContact O-N 3.18Å; G816-S820 WeakPolarHBondContact O-CB 3.38Å; G816-S820 PolarHBondContact O-N 3.41Å; G816-S820 PolarHBondContact O-OG 3.47Å
817S77.8Confident64.9Low90 Ų9050.1 Ų50.163%0.62930%0.297SS*.Hα-helixtrans-63.5-26.9-177.974.10000115P813 I814P813-S817 WeakPolarHBondContact O-CB 3.26Å; P813-S817 PolarHBondContact O-N 2.78Å; I814-S817 PolarHBondContact O-N 2.74Å; I814-S817 PolarHBondContact O-OG 2.94Å
818L77.9Confident63.4Low18 Ų1852.9 Ų52.99%0.09432%0.318CS..Hα-helixtrans-90.4-30.2-178.4-67.9174.8000113.5I814 Y815 G816 R850 K853 Y854I814-L818 HydrophobicContact CG2-CD1 3.98Å; I814-L818 WeakPolarHBondContact O-CG 3.26Å; I814-L818 PolarHBondContact O-N 2.9Å; Y815-L818 PolarHBondContact O-N 3.12Å; G816-L818 VanDerWaalsContact C-N 3.28Å; G816-L818 PolarHBondContact O-N 2.91Å; L818-R850 HydrophobicContact CD2-CG 4.37Å; L818-R850 PolarHBondContact O-NH1 2.7Å; L818-K853 HydrophobicContact CD1-CB 4.33Å; L818-K853 HydrophobicContact CD2-CB 4.26Å; L818-K853 HydrophobicContact CD2-CD 4.29Å; L818-Y854 HydrophobicContact CD1-CD2 4.42Å
819F80.8Confident61.8Low1 Ų156.3 Ų56.30%0.00434%0.34CS..Hα-helixtrans-134.30.3-165.6-51.4-63.5000115.4I725 P726 Y815 G816 E821 L822 R850 Y854I725-F819 HydrophobicContact CD1-CZ 4.36Å; I725-F819 HydrophobicContact CG1-CZ 4.32Å; I725-F819 HydrophobicContact CG2-CD1 4.49Å; I725-F819 HydrophobicContact CG2-CE1 3.89Å; I725-F819 HydrophobicContact CG2-CZ 4.1Å; P726-F819 HydrophobicContact CG-CB 3.88Å; P726-F819 HydrophobicContact CG-CD1 4.44Å; P726-F819 HydrophobicContact CG-CG 4.21Å; Y815-F819 HydrophobicContact CD1-CD2 4.39Å; Y815-F819 AromaticContact CD2-CD2 3.45Å; Y815-F819 HydrophobicContact CD2-CD2 3.45Å; Y815-F819 VanDerWaalsContact CD2-CD2 3.45Å; Y815-F819 AromaticContact CD2-CE2 3.84Å; Y815-F819 HydrophobicContact CD2-CE2 3.84Å; Y815-F819 HydrophobicContact CE1-CB 4.46Å; Y815-F819 AromaticContact CE2-CD2 3.66Å; Y815-F819 HydrophobicContact CE2-CD2 3.66Å; Y815-F819 HydrophobicContact CE2-CE2 4.13Å; Y815-F819 HydrophobicContact CE2-CG 4.49Å; Y815-F819 AromaticContact CG-CD2 3.87Å; Y815-F819 HydrophobicContact CG-CD2 3.87Å; Y815-F819 WeakPolarHBondContact O-CB 3.41Å; Y815-F819 PolarHBondContact O-N 2.78Å; G816-F819 PolarHBondContact O-N 3.18Å; F819-E821 PolarHBondContact O-N 2.9Å; F819-L822 HydrophobicContact CD1-CD1 4.04Å; F819-L822 WeakPolarHBondContact O-CB 3.47Å; F819-L822 PolarHBondContact O-N 2.92Å; F819-R850 HydrophobicContact CE1-CB 4.09Å; F819-R850 HydrophobicContact CZ-CB 4.5Å; F819-Y854 HydrophobicContact CE2-CD1 4.17Å; F819-Y854 HydrophobicContact CE2-CD2 4.24Å; F819-Y854 AromaticContact CE2-CG 3.99Å; F819-Y854 HydrophobicContact CE2-CG 3.99Å; F819-Y854 HydrophobicContact CZ-CD1 4.47Å; F819-Y854 HydrophobicContact CZ-CG 4.38Å
820S70.5Confident60.1Low58 Ų5858.9 Ų58.941%0.40635%0.351SS..G310 helixtrans-57.3-34.3176.659.90000113.2G816 L822 C823G816-S820 WeakPolarHBondContact O-CB 3.38Å; G816-S820 PolarHBondContact O-N 3.41Å; G816-S820 PolarHBondContact O-OG 3.47Å; S820-L822 PolarHBondContact O-N 3.39Å; S820-C823 VanDerWaalsContact O-CB 3.32Å; S820-C823 WeakPolarHBondContact O-CB 3.23Å; S820-C823 PolarHBondContact O-N 3.39Å; S820-C823 VanDerWaalsContact O-N 3.1Å
821E66.1Low59Low110 Ų11054.5 Ų54.551%0.51433%0.333SS..G310 helixtrans-56.9-28.8174.8-59.1-177.612900112.9F819 R850F819-E821 PolarHBondContact O-N 2.9Å; E821-R850 IonicContact OE2-CZ 3.23Å; E821-R850 VanDerWaalsContact OE2-CZ 3.23Å; E821-R850 IonicContact OE2-NH1 2.73Å; E821-R850 PolarHBondContact OE2-NH1 2.81Å; E821-R850 IonicContact OE2-NH2 2.79Å; E821-R850 PolarHBondContact OE2-NH2 2.84Å
822L65.5Low57.8Low14 Ų1460 Ų607%0.07336%0.363CS..G310 helixtrans-88.9-3.7-178-54.9177000113.3P726 L730 F733 F819 S820P726-L822 HydrophobicContact CG-CB 4.35Å; P726-L822 HydrophobicContact CG-CD1 4.16Å; L730-L822 HydrophobicContact CG-CD2 4.19Å; F733-L822 HydrophobicContact CB-CD2 4.42Å; F819-L822 HydrophobicContact CD1-CD1 4.04Å; F819-L822 WeakPolarHBondContact O-CB 3.47Å; F819-L822 PolarHBondContact O-N 2.92Å; S820-L822 PolarHBondContact O-N 3.39Å
823C52.8Low56.7Low8 Ų862.8 Ų62.85%0.05438%0.383CS..SBendtrans-75.7-33.1-178.2-66.60000113.9F800 T805 C809 S820 E825F800-C823 HydrophobicContact CD1-CB 4.07Å; F800-C823 HydrophobicContact CE1-CB 4.01Å; T805-C823 WeakPolarHBondContact CG2-SG 3.47Å; C809-C823 VanDerWaalsContact SG-SG 3.69Å; S820-C823 VanDerWaalsContact O-CB 3.32Å; S820-C823 WeakPolarHBondContact O-CB 3.23Å; S820-C823 PolarHBondContact O-N 3.39Å; S820-C823 VanDerWaalsContact O-N 3.1Å; C823-E825 PolarHBondContact O-N 2.91Å; C823-E825 VanDerWaalsContact O-N 3.09Å
824N51.8Low55.8Low93 Ų9364.1 Ų64.150%0.49739%0.389SS..  trans-85.279.5-169-78.8-27.3000111.7K732 F800K732-N824 VanDerWaalsContact CD-O 3.3Å; K732-N824 WeakPolarHBondContact CD-O 3.2Å; K732-N824 VanDerWaalsContact CE-O 3.29Å; K732-N824 WeakPolarHBondContact CE-O 3.5Å; K732-N824 PolarHBondContact NZ-O 3.31Å; F800-N824 WeakPolarHBondContact CE1-OD1 3.42Å
825E47.9Very low55.3Low82 Ų8264 Ų6438%0.38339%0.388SS..  trans-73.5136.1163.8-153.2-162152.900110.3N801 C823N801-E825 HydrophobicContact CB-CB 4.05Å; N801-E825 VanDerWaalsContact CB-OE2 3.28Å; N801-E825 WeakPolarHBondContact CB-OE2 3.42Å; N801-E825 VanDerWaalsContact ND2-CD 3.27Å; N801-E825 PolarHBondContact ND2-OE2 3.38Å; C823-E825 PolarHBondContact O-N 2.91Å; C823-E825 VanDerWaalsContact O-N 3.09Å
826S35.5Very low54.6Low74 Ų7469.1 Ų69.152%0.51742%0.416SS..  trans-148.4113.4170.168.30000109.8K732K732-S826 PolarHBondContact NZ-OG 2.63Å
827A33.5Very low54.2Low88 Ų8875.1 Ų75.173%0.72745%0.445SS*.SBendtrans39.678.8167.800000116.7V829A827-V829 PolarHBondContact O-N 3.48Å
828S33.1Very low53.8Low80 Ų8076.1 Ų76.156%0.55944%0.443SS*.  trans38.378.5147.864.30000117.5D830S828-D830 PolarHBondContact O-N 3.19Å
829V37.3Very low53.5Low86 Ų8677.3 Ų77.352%0.52145%0.449SS..  trans-73.1111.3158.5-1770000107.6A827 V831A827-V829 PolarHBondContact O-N 3.48Å; V829-V831 VanDerWaalsContact C-N 3.26Å; V829-V831 HydrophobicContact CG1-CG2 4.14Å; V829-V831 PolarHBondContact O-N 3.03Å
830D36.3Very low53.2Low85 Ų8579.2 Ų79.246%0.45546%0.459SS..  trans-76.181.8174.4-93.3-42.9000109.5M1 K638 S828 N832M1-D830 VanDerWaalsContact N-CG 3.28Å; M1-D830 PolarHBondContact N-OD1 2.8Å; M1-D830 PolarHBondContact N-OD2 2.8Å; K638-D830 IonicContact NZ-OD1 2.89Å; S828-D830 PolarHBondContact O-N 3.19Å; D830-N832 PolarHBondContact O-N 2.91Å
831V44.7Very low53.3Low35 Ų3579.2 Ų79.221%0.21246%0.455CS..  trans-61.396.7174.8-172.20000109.6V829V829-V831 VanDerWaalsContact C-N 3.26Å; V829-V831 HydrophobicContact CG1-CG2 4.14Å; V829-V831 PolarHBondContact O-N 3.03Å
832N38Very low53.7Low145 Ų14577.8 Ų77.878%0.77545%0.449SS*.  trans-113.92171.2-77.4-9.2000112.1D830D830-N832 PolarHBondContact O-N 2.91Å
833S45.8Very low54.3Low71 Ų7177.7 Ų77.750%0.49745%0.448SS..SBendtrans-79.8124.3170.549.70000110.3M835S833-M835 PolarHBondContact O-N 3.5Å
834T50.7Low55.7Low134 Ų13479.3 Ų79.382%0.82245%0.453SS*.PPolyproline II helixtrans-60.7128.4165450000109.5
835M60.8Low57Low60 Ų6075.9 Ų75.930%0.29644%0.437SS..PPolyproline II helixtrans-73.9152.7170.9-63.9-139.874.500110.5I734 S833 D839I734-M835 HydrophobicContact CB-CE 4.49Å; I734-M835 HydrophobicContact CB-SD 4.24Å; I734-M835 HydrophobicContact CD1-SD 3.99Å; I734-M835 HydrophobicContact CG1-CE 4.49Å; I734-M835 HydrophobicContact CG1-SD 3.83Å; I734-M835 HydrophobicContact CG2-CE 3.74Å; I734-M835 HydrophobicContact CG2-SD 3.52Å; I734-M835 VanDerWaalsContact CG2-SD 3.52Å; S833-M835 PolarHBondContact O-N 3.5Å; M835-D839 HydrophobicContact CE-CB 3.55Å
836N64.5Low58.5Low108 Ų10875.1 Ų75.158%0.57843%0.433SS*.PPolyproline II helixtrans-81.3150.2169.7-48-68.1000109.7L838 D839 L840N836-L838 PolarHBondContact O-N 3.36Å; N836-L838 VanDerWaalsContact O-N 3.14Å; N836-D839 WeakPolarHBondContact CB-OD2 3.45Å; N836-D839 PolarHBondContact ND2-OD2 3.09Å; N836-D839 PolarHBondContact O-N 2.98Å; N836-D839 VanDerWaalsContact O-N 3.09Å; N836-L840 PolarHBondContact O-N 3.08Å; N836-L840 VanDerWaalsContact O-N 3.15Å
837D67.7Low60.8Low137 Ų13772.2 Ų72.273%0.73341%0.412SS*.Hα-helixtrans-58.5-31.3-178.7-59.6-44.7000112.8L840 L841D837-L840 WeakPolarHBondContact O-CB 3.41Å; D837-L840 PolarHBondContact O-N 3.11Å; D837-L841 WeakPolarHBondContact O-CB 3.37Å; D837-L841 PolarHBondContact O-N 2.91Å
838L69.1Low63.3Low112 Ų11268.1 Ų68.159%0.58638%0.378SS*.Hα-helixtrans-68.5-40.9177.2-173.264.4000112.9N836 L840 L841 M842N836-L838 PolarHBondContact O-N 3.36Å; N836-L838 VanDerWaalsContact O-N 3.14Å; L838-L840 VanDerWaalsContact C-N 3.27Å; L838-L840 PolarHBondContact O-N 2.85Å; L838-L841 PolarHBondContact O-N 2.98Å; L838-M842 WeakPolarHBondContact O-CB 2.99Å; L838-M842 PolarHBondContact O-N 2.9Å
839D71.5Confident65.7Low42 Ų4267 Ų6723%0.22537%0.366CS..Hα-helixtrans-63.1-40.6174.5-64.2-59.3000110.2M835 N836 M842 L843M835-D839 HydrophobicContact CE-CB 3.55Å; N836-D839 WeakPolarHBondContact CB-OD2 3.45Å; N836-D839 PolarHBondContact ND2-OD2 3.09Å; N836-D839 PolarHBondContact O-N 2.98Å; N836-D839 VanDerWaalsContact O-N 3.09Å; D839-M842 PolarHBondContact O-N 2.76Å; D839-L843 WeakPolarHBondContact O-CB 3.43Å; D839-L843 PolarHBondContact O-N 3.02Å
840L74.2Confident67.9Low41 Ų4164.4 Ų64.422%0.21535%0.346CS..Hα-helixtrans-65.9-43.8179.1-169.661.9000111.2I642 L646 N836 D837 L838 L843 R844I642-L840 HydrophobicContact CG2-CD1 4.07Å; L646-L840 HydrophobicContact CD1-CD1 4.05Å; L646-L840 HydrophobicContact CD2-CD1 3.51Å; L646-L840 HydrophobicContact CD2-CD2 4.48Å; L646-L840 HydrophobicContact CD2-CG 3.56Å; L646-L840 WeakPolarHBondContact CD2-O 3.12Å; L646-L840 HydrophobicContact CG-CD1 3.87Å; L646-L840 HydrophobicContact CG-CG 4.45Å; N836-L840 PolarHBondContact O-N 3.08Å; N836-L840 VanDerWaalsContact O-N 3.15Å; D837-L840 WeakPolarHBondContact O-CB 3.41Å; D837-L840 PolarHBondContact O-N 3.11Å; L838-L840 VanDerWaalsContact C-N 3.27Å; L838-L840 PolarHBondContact O-N 2.85Å; L840-L843 PolarHBondContact O-N 2.97Å; L840-R844 PolarHBondContact O-N 3.39Å
841L73.4Confident70.2Confident59 Ų5960.4 Ų60.431%0.30933%0.325SS..Hα-helixtrans-63.6-40.5175.7-154.880.9000112.3A616 D837 L838 R844 S845A616-L841 HydrophobicContact CB-CD2 4.17Å; D837-L841 WeakPolarHBondContact O-CB 3.37Å; D837-L841 PolarHBondContact O-N 2.91Å; L838-L841 PolarHBondContact O-N 2.98Å; L841-R844 VanDerWaalsContact O-CB 3.26Å; L841-R844 WeakPolarHBondContact O-CB 3.49Å; L841-R844 PolarHBondContact O-N 2.86Å; L841-S845 PolarHBondContact O-N 2.83Å; L841-S845 VanDerWaalsContact O-N 3.14Å
842M73.3Confident72Confident79 Ų7959.2 Ų59.239%0.38932%0.318SS..Hα-helixtrans-73-31.1178.5-158.5172.570.500112.1L838 D839 R844 S845 E846L838-M842 WeakPolarHBondContact O-CB 2.99Å; L838-M842 PolarHBondContact O-N 2.9Å; D839-M842 PolarHBondContact O-N 2.76Å; M842-R844 VanDerWaalsContact C-N 3.35Å; M842-S845 PolarHBondContact O-OG 2.57Å; M842-E846 PolarHBondContact O-N 2.78Å
843L77.5Confident74.1Confident13 Ų1357.6 Ų57.67%0.06830%0.304CS..Hα-helixtrans-66.2-37.8168.7-164.373.7000111.5L646 L730 F733 I734 D839 L840 L847L646-L843 HydrophobicContact CD1-CB 4.5Å; L646-L843 HydrophobicContact CD1-CD2 4Å; L646-L843 HydrophobicContact CD1-CG 4.39Å; L730-L843 HydrophobicContact CD2-CD1 3.97Å; L730-L843 HydrophobicContact CD2-CD2 4.45Å; L730-L843 HydrophobicContact CD2-CG 4.43Å; F733-L843 HydrophobicContact CD1-CD1 3.61Å; F733-L843 HydrophobicContact CE1-CD1 4.07Å; I734-L843 HydrophobicContact CD1-CD2 3.72Å; I734-L843 HydrophobicContact CG1-CD1 4.16Å; I734-L843 HydrophobicContact CG1-CD2 3.65Å; D839-L843 WeakPolarHBondContact O-CB 3.43Å; D839-L843 PolarHBondContact O-N 3.02Å; L840-L843 PolarHBondContact O-N 2.97Å; L843-L847 WeakPolarHBondContact O-CB 3.44Å; L843-L847 PolarHBondContact O-N 3.44Å
844R83.9Confident75.7Confident41 Ų4154.5 Ų54.516%0.15528%0.281CS..Hα-helixtrans-60.6-50.3177.1-160.1179.166.3176.15.4111.8I618 L646 E649 L840 L841 M842 V848I618-R844 HydrophobicContact CD1-CG 4.25Å; L646-R844 HydrophobicContact CB-CG 4.3Å; L646-R844 HydrophobicContact CD2-CB 3.86Å; L646-R844 HydrophobicContact CD2-CG 4.04Å; L646-R844 WeakPolarHBondContact O-CD 3.31Å; E649-R844 WeakPolarHBondContact OE2-CD 3.25Å; E649-R844 IonicContact OE2-CZ 3.63Å; E649-R844 IonicContact OE2-NE 2.85Å; E649-R844 IonicContact OE2-NH1 3.8Å; E649-R844 PolarHBondContact OE2-NH1 2.83Å; L840-R844 PolarHBondContact O-N 3.39Å; L841-R844 VanDerWaalsContact O-CB 3.26Å; L841-R844 WeakPolarHBondContact O-CB 3.49Å; L841-R844 PolarHBondContact O-N 2.86Å; M842-R844 VanDerWaalsContact C-N 3.35Å; R844-V848 WeakPolarHBondContact O-CB 3.15Å; R844-V848 VanDerWaalsContact O-CG2 3.28Å; R844-V848 WeakPolarHBondContact O-CG2 3.42Å; R844-V848 PolarHBondContact O-N 3.27Å
845S79.1Confident77Confident22 Ų2248.9 Ų48.915%0.15425%0.246CC..Hα-helixtrans-68.6-41.5-177.459.10000112.5L841 M842 V848 N849L841-S845 PolarHBondContact O-N 2.83Å; L841-S845 VanDerWaalsContact O-N 3.14Å; M842-S845 PolarHBondContact O-OG 2.57Å; S845-V848 PolarHBondContact O-N 2.97Å; S845-N849 WeakPolarHBondContact O-CB 3.3Å; S845-N849 PolarHBondContact O-N 3.28Å; S845-N849 PolarHBondContact O-ND2 3.21Å
846E79.1Confident77.7Confident66 Ų6649.2 Ų49.231%0.30825%0.252SS..Hα-helixtrans-64.5-43.6174.917763.2178.200112F733 M842 N849 R850F733-E846 HydrophobicContact CE1-CG 4.33Å; F733-E846 HydrophobicContact CZ-CG 4.13Å; M842-E846 PolarHBondContact O-N 2.78Å; E846-N849 PolarHBondContact O-N 3.02Å; E846-R850 WeakPolarHBondContact O-CG 3.34Å; E846-R850 PolarHBondContact O-N 2.91Å; E846-R850 IonicContact OE1-CZ 3.19Å; E846-R850 IonicContact OE1-NE 2.75Å; E846-R850 PolarHBondContact OE1-NE 2.74Å; E846-R850 IonicContact OE1-NH2 3.17Å; E846-R850 PolarHBondContact OE1-NH2 2.87Å
847L83.4Confident77.8Confident12 Ų1248.6 Ų48.66%0.06325%0.248CC..Hα-helixtrans-61.8-46.6176.5179.760.3000111.6V643 L730 L843 N849 R850 I851V643-L847 HydrophobicContact CG1-CD2 4.2Å; V643-L847 HydrophobicContact CG2-CD2 4.16Å; L730-L847 HydrophobicContact CD1-CD1 4.41Å; L843-L847 WeakPolarHBondContact O-CB 3.44Å; L843-L847 PolarHBondContact O-N 3.44Å; L847-N849 PolarHBondContact O-N 2.74Å; L847-R850 PolarHBondContact O-N 2.87Å; L847-I851 HydrophobicContact CD1-CD1 4.03Å; L847-I851 HydrophobicContact CD1-CG1 4.33Å; L847-I851 HydrophobicContact CG-CD1 3.83Å; L847-I851 WeakPolarHBondContact O-CB 3.42Å; L847-I851 VanDerWaalsContact O-CG1 3.23Å; L847-I851 WeakPolarHBondContact O-CG1 3.34Å; L847-I851 PolarHBondContact O-N 2.84Å
848V85.5Confident77.3Confident2 Ų242.9 Ų42.91%0.01222%0.222CC..Hα-helixtrans-61.6-43176.21700000111.1I618 L626 L647 L650 R844 S845 R850 I851 V852I618-V848 HydrophobicContact CD1-CG2 4.35Å; I618-V848 HydrophobicContact CG2-CG1 4.08Å; L626-V848 HydrophobicContact CD1-CG1 4.42Å; L647-V848 HydrophobicContact CD2-CG2 4.24Å; L650-V848 HydrophobicContact CD1-CG2 3.54Å; R844-V848 WeakPolarHBondContact O-CB 3.15Å; R844-V848 VanDerWaalsContact O-CG2 3.28Å; R844-V848 WeakPolarHBondContact O-CG2 3.42Å; R844-V848 PolarHBondContact O-N 3.27Å; S845-V848 PolarHBondContact O-N 2.97Å; V848-R850 PolarHBondContact O-N 3.06Å; V848-I851 PolarHBondContact O-N 2.96Å; V848-V852 HydrophobicContact CG1-CG2 4.16Å; V848-V852 WeakPolarHBondContact O-CB 3.42Å; V848-V852 VanDerWaalsContact O-CG2 3.27Å; V848-V852 WeakPolarHBondContact O-CG2 3.46Å; V848-V852 PolarHBondContact O-N 2.77Å
849N83.3Confident76.1Confident58 Ų5846.3 Ų46.331%0.3123%0.232SC..Hα-helixtrans-63.1-38177.5-80.5-33.9000112.8S845 E846 L847 K853S845-N849 WeakPolarHBondContact O-CB 3.3Å; S845-N849 PolarHBondContact O-N 3.28Å; S845-N849 PolarHBondContact O-ND2 3.21Å; E846-N849 PolarHBondContact O-N 3.02Å; L847-N849 PolarHBondContact O-N 2.74Å; N849-K853 WeakPolarHBondContact O-CB 3.45Å; N849-K853 VanDerWaalsContact O-CG 3.25Å; N849-K853 WeakPolarHBondContact O-CG 3.38Å; N849-K853 PolarHBondContact O-N 2.81Å
850R83.2Confident74.7Confident30 Ų3051.2 Ų51.211%0.11326%0.258CS..Hα-helixtrans-68.3-42.9173.1-68.7-177.9-173.1-149.38.7112.1L818 F819 E821 E846 L847 V848 K853 Y854L818-R850 HydrophobicContact CD2-CG 4.37Å; L818-R850 PolarHBondContact O-NH1 2.7Å; F819-R850 HydrophobicContact CE1-CB 4.09Å; F819-R850 HydrophobicContact CZ-CB 4.5Å; E821-R850 IonicContact OE2-CZ 3.23Å; E821-R850 VanDerWaalsContact OE2-CZ 3.23Å; E821-R850 IonicContact OE2-NH1 2.73Å; E821-R850 PolarHBondContact OE2-NH1 2.81Å; E821-R850 IonicContact OE2-NH2 2.79Å; E821-R850 PolarHBondContact OE2-NH2 2.84Å; E846-R850 WeakPolarHBondContact O-CG 3.34Å; E846-R850 PolarHBondContact O-N 2.91Å; E846-R850 IonicContact OE1-CZ 3.19Å; E846-R850 IonicContact OE1-NE 2.75Å; E846-R850 PolarHBondContact OE1-NE 2.74Å; E846-R850 IonicContact OE1-NH2 3.17Å; E846-R850 PolarHBondContact OE1-NH2 2.87Å; L847-R850 PolarHBondContact O-N 2.87Å; V848-R850 PolarHBondContact O-N 3.06Å; R850-K853 PolarHBondContact O-N 2.93Å; R850-Y854 WeakPolarHBondContact O-CB 3.31Å; R850-Y854 PolarHBondContact O-N 2.77Å
851I84.8Confident73Confident2 Ų250 Ų501%0.0125%0.252CS..Hα-helixtrans-57.9-49.9175-73167.9000110.8L626 F631 L647 L692 I725 L847 V848 Y854 L855L626-I851 HydrophobicContact CD1-CG2 4.35Å; L626-I851 HydrophobicContact CD2-CG2 4.05Å; F631-I851 HydrophobicContact CE1-CG2 3.89Å; F631-I851 HydrophobicContact CZ-CG2 4.12Å; L647-I851 HydrophobicContact CD1-CD1 4.49Å; L647-I851 HydrophobicContact CD2-CD1 4.48Å; L692-I851 HydrophobicContact CD2-CD1 4.47Å; I725-I851 HydrophobicContact CD1-CB 4.41Å; I725-I851 HydrophobicContact CD1-CG1 3.71Å; L847-I851 HydrophobicContact CD1-CD1 4.03Å; L847-I851 HydrophobicContact CD1-CG1 4.33Å; L847-I851 HydrophobicContact CG-CD1 3.83Å; L847-I851 WeakPolarHBondContact O-CB 3.42Å; L847-I851 VanDerWaalsContact O-CG1 3.23Å; L847-I851 WeakPolarHBondContact O-CG1 3.34Å; L847-I851 PolarHBondContact O-N 2.84Å; V848-I851 PolarHBondContact O-N 2.96Å; I851-Y854 PolarHBondContact O-N 3.15Å; I851-L855 HydrophobicContact CG2-CD1 3.62Å; I851-L855 WeakPolarHBondContact O-CB 3.4Å; I851-L855 WeakPolarHBondContact O-CG 3.47Å; I851-L855 PolarHBondContact O-N 2.85Å
852V84.1Confident71.5Confident9 Ų949.5 Ų49.56%0.05525%0.247CC..Hα-helixtrans-63.1-49.4-179.5172.30000110.5N622 K625 L626 V848 Y854 L855 T856N622-V852 HydrophobicContact CB-CG2 4.18Å; K625-V852 HydrophobicContact CD-CG1 4.04Å; L626-V852 HydrophobicContact CD1-CG2 3.97Å; L626-V852 HydrophobicContact CD2-CG2 3.83Å; L626-V852 HydrophobicContact CG-CG2 4Å; V848-V852 HydrophobicContact CG1-CG2 4.16Å; V848-V852 WeakPolarHBondContact O-CB 3.42Å; V848-V852 VanDerWaalsContact O-CG2 3.27Å; V848-V852 WeakPolarHBondContact O-CG2 3.46Å; V848-V852 PolarHBondContact O-N 2.77Å; V852-Y854 VanDerWaalsContact C-N 3.28Å; V852-Y854 PolarHBondContact O-N 2.92Å; V852-L855 PolarHBondContact O-N 2.77Å; V852-L855 VanDerWaalsContact O-N 3.12Å; V852-T856 HydrophobicContact CG1-CG2 4.09Å; V852-T856 WeakPolarHBondContact O-CG2 3.32Å; V852-T856 PolarHBondContact O-N 2.84Å; V852-T856 PolarHBondContact O-OG1 2.76Å; V852-T856 VanDerWaalsContact O-OG1 3.09Å
853K80.8Confident70.1Confident111 Ų11146.9 Ų46.948%0.48324%0.238SC..Hα-helixtrans-55.7-41.7177-76.6172-178.7174.60112.4L818 N849 R850 T856 N857L818-K853 HydrophobicContact CD1-CB 4.33Å; L818-K853 HydrophobicContact CD2-CB 4.26Å; L818-K853 HydrophobicContact CD2-CD 4.29Å; N849-K853 WeakPolarHBondContact O-CB 3.45Å; N849-K853 VanDerWaalsContact O-CG 3.25Å; N849-K853 WeakPolarHBondContact O-CG 3.38Å; N849-K853 PolarHBondContact O-N 2.81Å; R850-K853 PolarHBondContact O-N 2.93Å; K853-T856 PolarHBondContact O-OG1 2.96Å; K853-N857 WeakPolarHBondContact O-CB 3.4Å; K853-N857 PolarHBondContact O-N 2.87Å
854Y80.1Confident68.7Low7 Ų747.2 Ų47.23%0.02724%0.238CC..Hα-helixtrans-65.5-44.1177.1-173.4-132.8000111.9F723 I724 I725 Y815 L818 F819 R850 I851 V852 G858 V861F723-Y854 HydrophobicContact CB-CE1 3.95Å; F723-Y854 HydrophobicContact CD1-CE1 4.12Å; I724-Y854 WeakPolarHBondContact O-CE1 3.39Å; I725-Y854 HydrophobicContact CD1-CD1 4.04Å; I725-Y854 HydrophobicContact CG1-CD1 3.97Å; I725-Y854 HydrophobicContact CG1-CE1 4.11Å; Y815-Y854 HydrophobicContact CD2-CE1 4.42Å; Y815-Y854 AromaticContact CD2-CE2 3.85Å; Y815-Y854 HydrophobicContact CD2-CE2 3.85Å; Y815-Y854 AromaticContact CD2-CZ 3.75Å; L818-Y854 HydrophobicContact CD1-CD2 4.42Å; F819-Y854 HydrophobicContact CE2-CD1 4.17Å; F819-Y854 HydrophobicContact CE2-CD2 4.24Å; F819-Y854 AromaticContact CE2-CG 3.99Å; F819-Y854 HydrophobicContact CE2-CG 3.99Å; F819-Y854 HydrophobicContact CZ-CD1 4.47Å; F819-Y854 HydrophobicContact CZ-CG 4.38Å; R850-Y854 WeakPolarHBondContact O-CB 3.31Å; R850-Y854 PolarHBondContact O-N 2.77Å; I851-Y854 PolarHBondContact O-N 3.15Å; V852-Y854 VanDerWaalsContact C-N 3.28Å; V852-Y854 PolarHBondContact O-N 2.92Å; Y854-G858 WeakPolarHBondContact O-CA 3.44Å; Y854-G858 PolarHBondContact O-N 2.81Å; Y854-V861 HydrophobicContact CE2-CG1 4.28Å
855L78Confident66.9Low16 Ų1647.8 Ų47.88%0.08425%0.247CC..Hα-helixtrans-75.4-23.5-178.5-69.9166.1000114.5L626 V629 F631 F723 I851 V852L626-L855 HydrophobicContact CD2-CD1 3.52Å; V629-L855 HydrophobicContact CG1-CD1 4.3Å; V629-L855 HydrophobicContact CG2-CD1 4.26Å; F631-L855 HydrophobicContact CZ-CD1 4.4Å; F723-L855 HydrophobicContact CB-CD2 4.17Å; F723-L855 HydrophobicContact CD1-CD2 3.81Å; F723-L855 HydrophobicContact CD2-CD2 3.73Å; F723-L855 HydrophobicContact CE1-CD2 4.1Å; F723-L855 HydrophobicContact CE2-CD2 4.04Å; F723-L855 HydrophobicContact CG-CD2 3.62Å; F723-L855 HydrophobicContact CZ-CD2 4.21Å; I851-L855 HydrophobicContact CG2-CD1 3.62Å; I851-L855 WeakPolarHBondContact O-CB 3.4Å; I851-L855 WeakPolarHBondContact O-CG 3.47Å; I851-L855 PolarHBondContact O-N 2.85Å; V852-L855 PolarHBondContact O-N 2.77Å; V852-L855 VanDerWaalsContact O-N 3.12Å
856T74.9Confident65.3Low67 Ų6747.4 Ų47.441%0.41124%0.244SC..Hα-helixtrans-87.7-39.6174.157.80000112.7K625 V852 K853K625-T856 HydrophobicContact CD-CG2 4.18Å; V852-T856 HydrophobicContact CG1-CG2 4.09Å; V852-T856 WeakPolarHBondContact O-CG2 3.32Å; V852-T856 PolarHBondContact O-N 2.84Å; V852-T856 PolarHBondContact O-OG1 2.76Å; V852-T856 VanDerWaalsContact O-OG1 3.09Å; K853-T856 PolarHBondContact O-OG1 2.96Å
857N66.9Low63.4Low94 Ų9444.4 Ų44.450%0.50323%0.231SC..Hα-helixtrans-94.8-12.7-171.5-58.810000112.7K853 K859K853-N857 WeakPolarHBondContact O-CB 3.4Å; K853-N857 PolarHBondContact O-N 2.87Å; N857-K859 PolarHBondContact O-N 2.83Å
858G56.5Low61.2Low17 Ų1746.5 Ų46.518%0.17525%0.246CC..  trans-69.356178.300000115Y854Y854-G858 WeakPolarHBondContact O-CA 3.44Å; Y854-G858 PolarHBondContact O-N 2.81Å
859K45.4Very low58.9Low184 Ų18448.3 Ų48.380%0.826%0.259SS*.SBendtrans-72.5-28.3173.2-79.2-170.8172.6-177.10113.5N857N857-K859 PolarHBondContact O-N 2.83Å
860N41.2Very low56.6Low146 Ų14649.1 Ų49.178%0.78126%0.262SS*.SBendtrans-11916.3-169.7-63.6-8.8000114.1
861V39.7Very low54.4Low14 Ų1451.1 Ų51.19%0.08528%0.275CS..SBendtrans-116.481.2-167.2-167.50000110.6D812 Y854 A863D812-V861 HydrophobicContact CB-CG1 3.83Å; D812-V861 HydrophobicContact CB-CG2 4.1Å; D812-V861 VanDerWaalsContact OD2-CG2 3.22Å; D812-V861 WeakPolarHBondContact OD2-CG2 3.45Å; Y854-V861 HydrophobicContact CE2-CG1 4.28Å; V861-A863 PolarHBondContact O-N 2.85Å; V861-A863 VanDerWaalsContact O-N 3.12Å
862Y41.9Very low51.7Low50 Ų5054.5 Ų54.520%0.19631%0.311CS..  trans22.476.5166.4-59.7-76.9000116.1I811 F864 E935I811-Y862 HydrophobicContact CG2-CD2 4Å; I811-Y862 HydrophobicContact CG2-CE2 3.77Å; Y862-F864 VanDerWaalsContact O-CD2 3.22Å; Y862-F864 WeakPolarHBondContact O-CD2 3.38Å; Y862-F864 PolarHBondContact O-N 2.83Å; Y862-E935 HydrophobicContact CE1-CB 3.89Å; Y862-E935 VanDerWaalsContact CE1-CD 3.46Å; Y862-E935 HydrophobicContact CE1-CG 3.98Å; Y862-E935 WeakPolarHBondContact CE1-OE2 3.25Å; Y862-E935 VanDerWaalsContact OH-CA 3.29Å; Y862-E935 WeakPolarHBondContact OH-CA 3.29Å; Y862-E935 VanDerWaalsContact OH-CD 3.24Å; Y862-E935 VanDerWaalsContact OH-CG 3.25Å; Y862-E935 WeakPolarHBondContact OH-CG 3.04Å; Y862-E935 PolarHBondContact OH-N 3.28Å; Y862-E935 PolarHBondContact OH-OE1 3.14Å; Y862-E935 VanDerWaalsContact OH-OE1 3.11Å
863A43.9Very low49.1Very low24 Ų2457.6 Ų57.620%0.19833%0.333CS..  trans-53.379.8155.700000110.9R721 V861 P865R721-A863 HydrophobicContact CB-CB 4.19Å; R721-A863 VanDerWaalsContact CD-CB 3.43Å; R721-A863 HydrophobicContact CG-CB 3.66Å; V861-A863 PolarHBondContact O-N 2.85Å; V861-A863 VanDerWaalsContact O-N 3.12Å; A863-P865 WeakPolarHBondContact O-CD 3.37Å
864F47.4Very low46.8Very low19 Ų1956.8 Ų56.88%0.08334%0.341CS..  trans-49.3106.2-166.9-87.2-83.7000112.2F722 I724 Y862 I866 V938 I942F722-F864 HydrophobicContact CB-CB 4.27Å; F722-F864 HydrophobicContact CD2-CB 4.28Å; I724-F864 HydrophobicContact CD1-CE2 4Å; Y862-F864 VanDerWaalsContact O-CD2 3.22Å; Y862-F864 WeakPolarHBondContact O-CD2 3.38Å; Y862-F864 PolarHBondContact O-N 2.83Å; F864-I866 HydrophobicContact CB-CD1 4.49Å; F864-I866 HydrophobicContact CB-CG1 3.9Å; F864-I866 PolarHBondContact O-N 2.92Å; F864-V938 HydrophobicContact CD1-CG1 4.22Å; F864-V938 HydrophobicContact CE1-CG1 3.23Å; F864-V938 HydrophobicContact CZ-CG1 3.55Å; F864-I942 HydrophobicContact CD1-CD1 3.71Å; F864-I942 HydrophobicContact CE1-CD1 3.16Å; F864-I942 HydrophobicContact CE1-CG1 3.75Å; F864-I942 HydrophobicContact CZ-CD1 3.74Å; F864-I942 HydrophobicContact CZ-CG1 4.35Å
865P45.3Very low44.4Very low53 Ų5365.8 Ų65.834%0.34438%0.38SS..  trans-87.262.2-178.336.3-32000107.6A863 G867 S868 C869A863-P865 WeakPolarHBondContact O-CD 3.37Å; P865-G867 CarbonylContact O-C 3.57Å; P865-G867 PolarHBondContact O-N 2.83Å; P865-S868 PolarHBondContact O-N 3.44Å; P865-C869 PolarHBondContact O-N 3.16Å; P865-C869 PolarHBondContact O-SG 3.4Å
866I47Very low42Very low14 Ų1470.9 Ų70.97%0.07241%0.408CS..Hα-helixtrans-52-33-169.7-54.4170.5000110.2L702 Y705 F722 F864 L870L702-I866 HydrophobicContact CD2-CD1 4.04Å; L702-I866 HydrophobicContact CD2-CG1 4.49Å; L702-I866 HydrophobicContact CD2-CG2 4.34Å; Y705-I866 HydrophobicContact CD1-CB 3.8Å; Y705-I866 HydrophobicContact CD1-CG2 3.41Å; Y705-I866 VanDerWaalsContact CD1-CG2 3.41Å; Y705-I866 HydrophobicContact CD2-CD1 4.08Å; Y705-I866 HydrophobicContact CE1-CB 3.44Å; Y705-I866 VanDerWaalsContact CE1-CB 3.44Å; Y705-I866 HydrophobicContact CE1-CG2 3.52Å; Y705-I866 HydrophobicContact CE2-CB 4.21Å; Y705-I866 HydrophobicContact CE2-CD1 4.28Å; Y705-I866 HydrophobicContact CG-CB 4.31Å; Y705-I866 HydrophobicContact CG-CD1 4.2Å; Y705-I866 HydrophobicContact CG-CG2 4.05Å; F722-I866 HydrophobicContact CD2-CD1 3.49Å; F722-I866 VanDerWaalsContact CD2-CD1 3.49Å; F722-I866 HydrophobicContact CD2-CG1 4.12Å; F722-I866 HydrophobicContact CE2-CD1 3.53Å; F722-I866 HydrophobicContact CE2-CG1 4.23Å; F722-I866 HydrophobicContact CG-CD1 4.09Å; F722-I866 HydrophobicContact CZ-CD1 4.12Å; F864-I866 HydrophobicContact CB-CD1 4.49Å; F864-I866 HydrophobicContact CB-CG1 3.9Å; F864-I866 PolarHBondContact O-N 2.92Å; I866-L870 HydrophobicContact CG2-CD1 3.74Å; I866-L870 WeakPolarHBondContact O-CB 3.32Å; I866-L870 VanDerWaalsContact O-CD1 3.24Å; I866-L870 WeakPolarHBondContact O-CD1 3.29Å; I866-L870 WeakPolarHBondContact O-CG 3.09Å; I866-L870 PolarHBondContact O-N 2.89Å
867G38.3Very low39.8Very low4 Ų473.7 Ų73.74%0.04143%0.43CS..Hα-helixtrans-55.7-59.5167.600000116.3Y705 P865 C869 L870 L871Y705-G867 PolarHBondContact OH-N 2.97Å; Y705-G867 VanDerWaalsContact OH-N 3.12Å; P865-G867 CarbonylContact O-C 3.57Å; P865-G867 PolarHBondContact O-N 2.83Å; G867-C869 PolarHBondContact O-N 2.77Å; G867-L870 PolarHBondContact O-N 3.12Å; G867-L871 WeakPolarHBondContact O-CB 3.4Å; G867-L871 PolarHBondContact O-N 3.15Å
868S36.9Very low37.8Very low56 Ų5673.5 Ų73.539%0.39244%0.436SS..Hα-helixtrans-55.2-37.9-179.3-53.10000111.5P865 L870P865-S868 PolarHBondContact O-N 3.44Å; S868-L870 VanDerWaalsContact C-N 3.31Å; S868-L870 PolarHBondContact O-N 3.21Å
869C36.7Very low36.3Very low40 Ų4078.4 Ų78.427%0.2746%0.463SS..Hα-helixtrans-66.1-27.6176.2-51.90000114P865 G867 I939P865-C869 PolarHBondContact O-N 3.16Å; P865-C869 PolarHBondContact O-SG 3.4Å; G867-C869 PolarHBondContact O-N 2.77Å; C869-I939 HydrophobicContact CB-CD1 4.38Å; C869-I939 HydrophobicContact CB-CG1 4.45Å; C869-I939 HydrophobicContact CB-CG2 3.82Å; C869-I939 WeakPolarHBondContact SG-CD1 3.3Å; C869-I939 VanDerWaalsContact SG-CG1 3.6Å
870L35.9Very low35.3Very low74 Ų7476.8 Ų76.839%0.38746%0.463SS..Hα-helixtrans-100.5-27.7-175.3-70.3167000113.6Y705 V706 I866 G867 S868 G872Y705-L870 HydrophobicContact CD1-CD1 4.43Å; V706-L870 HydrophobicContact CB-CD1 4.24Å; V706-L870 HydrophobicContact CG1-CD1 4.28Å; V706-L870 HydrophobicContact CG2-CD1 3.31Å; V706-L870 HydrophobicContact CG2-CD2 4.16Å; V706-L870 HydrophobicContact CG2-CG 4.4Å; I866-L870 HydrophobicContact CG2-CD1 3.74Å; I866-L870 WeakPolarHBondContact O-CB 3.32Å; I866-L870 VanDerWaalsContact O-CD1 3.24Å; I866-L870 WeakPolarHBondContact O-CD1 3.29Å; I866-L870 WeakPolarHBondContact O-CG 3.09Å; I866-L870 PolarHBondContact O-N 2.89Å; G867-L870 PolarHBondContact O-N 3.12Å; S868-L870 VanDerWaalsContact C-N 3.31Å; S868-L870 PolarHBondContact O-N 3.21Å; L870-G872 VanDerWaalsContact C-N 3.31Å
871L36.5Very low34.5Very low72 Ų7275.9 Ų75.938%0.37746%0.462SS..THydrogen-bonded Turntrans-89.67.6-178.1-75158.6000113.2T714 I717 G867 S873T714-L871 HydrophobicContact CG2-CD1 4.14Å; I717-L871 HydrophobicContact CD1-CD1 3.93Å; G867-L871 WeakPolarHBondContact O-CB 3.4Å; G867-L871 PolarHBondContact O-N 3.15Å; L871-S873 PolarHBondContact O-N 2.87Å; L871-S873 PolarHBondContact O-OG 3.34Å
872G28.1Very low33.8Very low74 Ų7482.7 Ų82.776%0.76350%0.498SS*.THydrogen-bonded Turntrans59.311.8-179.700000114.6L870 S874L870-G872 VanDerWaalsContact C-N 3.31Å; G872-S874 PolarHBondContact O-N 2.73Å
873S30.1Very low32.9Very low73 Ų7389.4 Ų89.451%0.5153%0.529SS..  trans-102.754.7-162.3-670000111.3L871 K875L871-S873 PolarHBondContact O-N 2.87Å; L871-S873 PolarHBondContact O-OG 3.34Å; S873-K875 PolarHBondContact O-N 2.66Å
874S32.2Very low32Very low95 Ų9597.4 Ų97.466%0.66456%0.564SS**  trans-69.1109.7163-170.60000108.5G872 N876G872-S874 PolarHBondContact O-N 2.73Å; S874-N876 PolarHBondContact O-N 3.44Å
875K30.7Very low30.9Very low195 Ų195105.6 Ų105.685%0.84860%0.603SS**  trans-73.4112.4164.4-75.5-174.9177.7179.80106.9S873 S877S873-K875 PolarHBondContact O-N 2.66Å; K875-S877 VanDerWaalsContact C-N 3.33Å; K875-S877 PolarHBondContact O-N 3.16Å
876N27.1Very low30Very low124 Ų124113 Ų11366%0.66363%0.629SS**  trans-61.586179.6-70.4-15.8000112.3S874 S878S874-N876 PolarHBondContact O-N 3.44Å; N876-S878 PolarHBondContact O-N 3.37Å; N876-S878 VanDerWaalsContact O-N 3.08Å
877S27.3Very low29.1Very low125 Ų125117.1 Ų117.187%0.87466%0.66SS**  trans-8248.3165.361.50000111K875K875-S877 VanDerWaalsContact C-N 3.33Å; K875-S877 PolarHBondContact O-N 3.16Å
878S26.2Very low28.6Very low91 Ų91123.9 Ų123.964%0.63669%0.694SS**  trans-129.418.3-175.952.90000112.9N876 N880N876-S878 PolarHBondContact O-N 3.37Å; N876-S878 VanDerWaalsContact O-N 3.08Å; S878-N880 PolarHBondContact O-N 3.3Å; S878-N880 VanDerWaalsContact O-N 3.08Å
879T24.2Very low28.2Very low120 Ų120126.5 Ų126.574%0.73671%0.708SS**  trans-80.276.4170.553.30000111.6
880N24.7Very low27.9Very low149 Ų149130.1 Ų130.180%0.79773%0.729SS**  trans168.786.2137.4-88.7-33.1000112.8S878S878-N880 PolarHBondContact O-N 3.3Å; S878-N880 VanDerWaalsContact O-N 3.08Å
881V24.3Very low27.5Very low127 Ų127133 Ų13377%0.7775%0.745SS**SBendtrans-135.2136.1148.9-171.90000107.4
882N24.9Very low26.9Very low157 Ų157134.4 Ų134.484%0.8476%0.759SS**SBendtrans65.451.4173.3-61.1-20.4000118.5
883K24.4Very low27Very low192 Ų192136.6 Ų136.684%0.83576%0.758SS**  trans-152.488.8145.3-119.4-177.4-174.2-178.60111.6
884M23.2Very low26.9Very low192 Ų192140.5 Ų140.595%0.94677%0.773SS**  trans176.486.9155.3-101.6-60.6-158.700110.4
885Q24.8Very low26.8Very low191 Ų191140.3 Ų140.389%0.89378%0.778SS**  trans-151.7134.6155.1-140.8178.226.800109.5
886K27.5Very low26.7Very low207 Ų207137.5 Ų137.590%0.978%0.777SS**  trans6291.9-173.6-63.6-176.5175.2-179.50116.5
887S26.7Very low26.9Very low102 Ų102135.9 Ų135.971%0.71378%0.775SS**  -159128120.7-169.50000111.7
888L28.5Very low27Very low146 Ų146136.8 Ų136.876%0.76477%0.77SS**  trans11115.5151.1-67.798.8000118.2
889T28.4Very low27.3Very low111 Ų111139.2 Ų139.268%0.68178%0.776SS**  66.112679630000116.2
890T29.5Very low27.5Very low115 Ų115138 Ų13871%0.70677%0.772SS**  trans59.4136148.454.90000119.2
891D27.4Very low27.9Very low136 Ų136135.7 Ų135.773%0.72777%0.767SS**  cis-161.9150.64.4-102.1-22.1000115.1
892C24.6Very low28.3Very low101 Ų101134.9 Ų134.968%0.68276%0.763SS**  trans55.8157.2139.1-61.60000126.8
893T29.7Very low28.5Very low119 Ų119133.9 Ų133.973%0.7376%0.758SS**  trans82.1138.916374.20000118.5
894N29.4Very low28.8Very low155 Ų155130.9 Ų130.983%0.82975%0.749SS**  cis-163.5130.5-18.4-110.2-10.3000111
895A28.9Very low29.2Very low92 Ų92127.8 Ų127.876%0.7674%0.737SS**  trans-175.5115150.600000113
896T28.9Very low29.5Very low135 Ų135125.9 Ų125.983%0.82873%0.732SS**  trans9.1140.3142.649.70000120.4
897S31.7Very low29.6Very low91 Ų91119.9 Ų119.964%0.63672%0.721SS**  cis-166.3149.915.752.80000115.2
898N29.4Very low29.6Very low143 Ų143122.3 Ų122.377%0.76573%0.726SS**  trans65.5140.4144.7-61.1-2.7000119.4
899L31.5Very low29.8Very low143 Ų143124.6 Ų124.675%0.74973%0.733SS**  cis-152.6155-2.6-148.474.7000110.7
900S29.5Very low29.6Very low95 Ų95124.1 Ų124.166%0.66473%0.734SS**  trans21.4140.4151.857.40000122.1
901S31.9Very low29.6Very low100 Ų100124.7 Ų124.770%0.69974%0.738SS**  cis-175.5-168.9-5.955.70000107.9
902T33.1Very low29.6Very low110 Ų110127 Ų12768%0.67574%0.744SS**  cis-161.2148.87.2-80000110.8
903N29Very low29.7Very low136 Ų136126 Ų12673%0.72775%0.751SS**  trans22.7147.1130.8-65.93000122.3
904I31.5Very low29.6Very low129 Ų129128.2 Ų128.266%0.66276%0.755SS**  cis-164.2147.9-6.4-118.8168000112.3
905N30.7Very low29.6Very low127 Ų127126.5 Ų126.568%0.67975%0.75SS**  trans31.6136.5150.9-48.8-14.7000125.6
906N31Very low29.5Very low150 Ų150128 Ų12880%0.80275%0.745SS**  82.6112.6129.9-72.2-0.6000124.4
907A30.5Very low29.6Very low81 Ų81128.4 Ų128.467%0.66974%0.737SS**  79.5108.7118.800000122.5
908N27.1Very low29.3Very low153 Ų153130.8 Ų130.882%0.81874%0.743SS**  48.9102.4128-57.2-7.7000120.3
909Q31.1Very low29.1Very low194 Ų194128.2 Ų128.291%0.90774%0.742SS**  -175.6170.694.7-98.1-177.215.800113.4
910S26.1Very low28.9Very low101 Ų101126.4 Ų126.471%0.70674%0.741SS**  trans-80.6153.7-17151.20000116.2
911V29.5Very low28.7Very low128 Ų128132 Ų13278%0.77675%0.749SS**  -177.4163.8115.61480000111.1
912Q26.3Very low28.5Very low185 Ų185132.1 Ų132.186%0.86475%0.75SS**  trans-64.8155.6-163.7-59.5131.9-79.800117.7
913G27.3Very low28.2Very low79 Ų79135 Ų13581%0.81476%0.761SS**  trans-171.1120.1166.200000113.3
914M28Very low28.1Very low166 Ų166131.6 Ų131.682%0.81876%0.758SS**  trans-67.3156.8-163.3-61.5169.859.800118.7
915T28.6Very low27.8Very low118 Ų118133 Ų13372%0.72477%0.765SS**  trans64.7147.1147.247.20000119.2
916D27.4Very low27.4Very low125 Ų125132 Ų13267%0.66877%0.768SS**  cis-154.6163.88.1-144.78.7000115.4
917Q30.4Very low27Very low142 Ų142130.4 Ų130.466%0.66477%0.768SS**  trans63.7118.1149.4-83.8177.876.100125.3
918N25.2Very low26.6Very low142 Ų142132.3 Ų132.376%0.75978%0.776SS**  100.7140.5125-69.3-23000124.3
919A26.4Very low26.5Very low89 Ų89127.5 Ų127.574%0.73676%0.762SS**  trans85.391.7151.400000122.1
920S25.8Very low26.1Very low105 Ų105125.9 Ų125.973%0.73476%0.76SS**  101.1155.3115.278.20000122.2
921Y26.7Very low26.1Very low213 Ų213129.3 Ų129.384%0.83576%0.763SS**  trans69.187.8168.2-73.2-76.9000121.4
922S28Very low26Very low102 Ų102128.1 Ų128.171%0.71376%0.76SS**  47.1108128.761.30000119.9G924S922-G924 PolarHBondContact O-N 3.16Å; S922-G924 VanDerWaalsContact O-N 3.15Å
923D26.2Very low26.2Very low171 Ų171126.3 Ų126.391%0.91476%0.756SS**  trans-59.9111.3163.9-75.6-62.3000112.5
924G25.8Very low26.8Very low64 Ų64125.6 Ų125.666%0.6673%0.733SS**  trans-83.1117.4166.100000111S922 S926S922-G924 PolarHBondContact O-N 3.16Å; S922-G924 VanDerWaalsContact O-N 3.15Å; G924-S926 PolarHBondContact O-N 3.42Å
925I25.3Very low27.4Very low157 Ų157123.4 Ų123.481%0.80572%0.721SS**  trans-66.4100.8174.8-60.9179.2000109.5C927I925-C927 PolarHBondContact O-N 2.88Å; I925-C927 VanDerWaalsContact O-N 3.1Å
926S22.4Very low27.9Very low107 Ų107125.3 Ų125.375%0.74872%0.722SS**  trans-85.572.4-176.745.60000112.3G924 S928G924-S926 PolarHBondContact O-N 3.42Å; S926-S928 VanDerWaalsContact C-N 3.26Å; S926-S928 PolarHBondContact O-N 3.04Å; S926-S928 PolarHBondContact O-OG 3.32Å
927C24Very low28.6Very low117 Ų117123.6 Ų123.679%0.79171%0.711SS**  trans-7177.3172.6-73.90000112.2I925 G929I925-C927 PolarHBondContact O-N 2.88Å; I925-C927 VanDerWaalsContact O-N 3.1Å; C927-G929 VanDerWaalsContact C-N 3.29Å; C927-G929 PolarHBondContact O-N 2.87Å
928S22.3Very low29.6Very low120 Ų120117.3 Ų117.384%0.83968%0.682SS**  trans-75.472.6174.739.60000111.9S926S926-S928 VanDerWaalsContact C-N 3.26Å; S926-S928 PolarHBondContact O-N 3.04Å; S926-S928 PolarHBondContact O-OG 3.32Å
929G23.6Very low30.6Very low52 Ų52113.4 Ų113.454%0.53666%0.661SS.*  trans-107.6118175.900000112.9C927 F931C927-G929 VanDerWaalsContact C-N 3.29Å; C927-G929 PolarHBondContact O-N 2.87Å; G929-F931 PolarHBondContact O-N 2.88Å
930N23.8Very low31Very low161 Ų161112.2 Ų112.286%0.86165%0.645SS**  trans-69.7112.4-179.5-72.3-20.9000112.4
931F25Very low32.2Very low172 Ų172108.1 Ų108.175%0.75461%0.614SS**  trans-118.952.8174.5-85.1-78.6000112.8G929 L933G929-F931 PolarHBondContact O-N 2.88Å; F931-L933 VanDerWaalsContact C-N 3.33Å; F931-L933 PolarHBondContact O-N 3.16Å
932S27.7Very low33.4Very low104 Ų10498.9 Ų98.973%0.72758%0.579SS**THydrogen-bonded Turntrans-92.539-179.7-53.50000113.9
933L30.3Very low34.1Very low146 Ų14697.5 Ų97.576%0.76456%0.563SS**THydrogen-bonded Turntrans-124.1-4.6-177.9-73.8173.5000114.9F931F931-L933 VanDerWaalsContact C-N 3.33Å; F931-L933 PolarHBondContact O-N 3.16Å
934N41.1Very low35Very low65 Ų6592.2 Ų92.235%0.34854%0.535SS..SBendtrans-95.2-21.6-176.7-66.2-0.2000113.2E936N934-E936 PolarHBondContact O-N 2.68Å
935E40.7Very low36Very low119 Ų11989.8 Ų89.856%0.55651%0.507SS*.THydrogen-bonded Turntrans-56.4-48.9-176.7-56-99.5150.100112.2Y862Y862-E935 HydrophobicContact CE1-CB 3.89Å; Y862-E935 VanDerWaalsContact CE1-CD 3.46Å; Y862-E935 HydrophobicContact CE1-CG 3.98Å; Y862-E935 WeakPolarHBondContact CE1-OE2 3.25Å; Y862-E935 VanDerWaalsContact OH-CA 3.29Å; Y862-E935 WeakPolarHBondContact OH-CA 3.29Å; Y862-E935 VanDerWaalsContact OH-CD 3.24Å; Y862-E935 VanDerWaalsContact OH-CG 3.25Å; Y862-E935 WeakPolarHBondContact OH-CG 3.04Å; Y862-E935 PolarHBondContact OH-N 3.28Å; Y862-E935 PolarHBondContact OH-OE1 3.14Å; Y862-E935 VanDerWaalsContact OH-OE1 3.11Å
936E37.3Very low36.8Very low159 Ų15986.3 Ų86.374%0.74348%0.484SS*.THydrogen-bonded Turntrans-76.8-29.4-167.5-59.9-169.3145.800113.1N934 V938 I939 P940N934-E936 PolarHBondContact O-N 2.68Å; E936-V938 VanDerWaalsContact C-N 3.32Å; E936-V938 PolarHBondContact O-N 3Å; E936-I939 PolarHBondContact O-N 2.84Å; E936-P940 WeakPolarHBondContact O-CD 3.47Å
937M43.4Very low37.6Very low89 Ų8987.1 Ų87.144%0.43848%0.48SS..THydrogen-bonded Turntrans-74.4-21-174.4-66.8-132.3-70.800114I939 P940 F941M937-I939 PolarHBondContact O-N 2.82Å; M937-P940 WeakPolarHBondContact O-CD 3.5Å; M937-F941 WeakPolarHBondContact O-CB 3.49Å; M937-F941 PolarHBondContact O-N 3.25Å; M937-F941 VanDerWaalsContact O-N 3.09Å
938V51.2Low38.1Very low10 Ų1084.4 Ų84.46%0.06147%0.471CS..Hα-helixtrans-60-34.5175.5171.80000111.7I811 F864 E936 I942I811-V938 HydrophobicContact CD1-CG2 3.79Å; F864-V938 HydrophobicContact CD1-CG1 4.22Å; F864-V938 HydrophobicContact CE1-CG1 3.23Å; F864-V938 HydrophobicContact CZ-CG1 3.55Å; E936-V938 VanDerWaalsContact C-N 3.32Å; E936-V938 PolarHBondContact O-N 3Å; V938-I942 WeakPolarHBondContact O-CG1 3.31Å; V938-I942 PolarHBondContact O-N 3.41Å
939I45.2Very low39Very low60 Ų6082.3 Ų82.331%0.30845%0.451SS..Hα-helixtrans-75-50.9-176-56.8169.2000111.5C869 E936 M937 F941 I942 L943C869-I939 HydrophobicContact CB-CD1 4.38Å; C869-I939 HydrophobicContact CB-CG1 4.45Å; C869-I939 HydrophobicContact CB-CG2 3.82Å; C869-I939 WeakPolarHBondContact SG-CD1 3.3Å; C869-I939 VanDerWaalsContact SG-CG1 3.6Å; E936-I939 PolarHBondContact O-N 2.84Å; M937-I939 PolarHBondContact O-N 2.82Å; I939-F941 VanDerWaalsContact C-N 3.26Å; I939-F941 PolarHBondContact O-N 3Å; I939-I942 PolarHBondContact O-N 2.76Å; I939-L943 HydrophobicContact CG2-CD1 4.12Å; I939-L943 WeakPolarHBondContact O-CG 3.26Å; I939-L943 PolarHBondContact O-N 2.83Å
940P36.1Very low39.5Very low64 Ų6481.5 Ų81.542%0.41644%0.436SS..Hα-helixtrans-55.7-35.3167.8-27.535.7000114.1E936 M937 L943 N944E936-P940 WeakPolarHBondContact O-CD 3.47Å; M937-P940 WeakPolarHBondContact O-CD 3.5Å; P940-L943 PolarHBondContact O-N 2.81Å; P940-N944 WeakPolarHBondContact O-CB 3.47Å; P940-N944 PolarHBondContact O-N 3.2Å; P940-N944 PolarHBondContact O-ND2 2.87Å
941F49.9Very low40Very low18 Ų1878.9 Ų78.98%0.07943%0.43CS..Hα-helixtrans-63.2-52.7175.8177.9-95.2000111.5F804 H807 M937 I939 L943 N944 V945 L953F804-F941 HydrophobicContact CD1-CE1 4.01Å; F804-F941 AromaticContact CD2-CE1 3.96Å; F804-F941 HydrophobicContact CD2-CE1 3.96Å; F804-F941 HydrophobicContact CE1-CE1 4.13Å; F804-F941 HydrophobicContact CE2-CE1 4.08Å; F804-F941 AromaticContact CG-CE1 3.94Å; F804-F941 HydrophobicContact CG-CE1 3.94Å; F804-F941 HydrophobicContact CZ-CD1 4.5Å; F804-F941 HydrophobicContact CZ-CE1 4.17Å; H807-F941 HydrophobicContact CB-CE1 4.3Å; H807-F941 HydrophobicContact CB-CE2 3.92Å; H807-F941 HydrophobicContact CB-CZ 3.8Å; H807-F941 AromaticContact CD2-CD1 3.67Å; H807-F941 AromaticContact CD2-CD2 3.37Å; H807-F941 WeakPolarHBondContact CD2-CD2 3.29Å; H807-F941 AromaticContact CD2-CE1 3.94Å; H807-F941 AromaticContact CD2-CE2 3.67Å; H807-F941 AromaticContact CD2-CG 3.37Å; H807-F941 WeakPolarHBondContact CD2-CG 3.49Å; H807-F941 AromaticContact CD2-CZ 3.94Å; H807-F941 AromaticContact CG-CE2 3.98Å; H807-F941 AromaticContact NE2-CD2 3.91Å; H807-F941 AromaticContact NE2-CG 3.89Å; M937-F941 WeakPolarHBondContact O-CB 3.49Å; M937-F941 PolarHBondContact O-N 3.25Å; M937-F941 VanDerWaalsContact O-N 3.09Å; I939-F941 VanDerWaalsContact C-N 3.26Å; I939-F941 PolarHBondContact O-N 3Å; F941-L943 VanDerWaalsContact C-N 3.28Å; F941-L943 PolarHBondContact O-N 3.21Å; F941-N944 PolarHBondContact O-N 3.07Å; F941-N944 VanDerWaalsContact O-N 3.13Å; F941-V945 HydrophobicContact CD1-CG2 4.15Å; F941-V945 HydrophobicContact CE1-CG2 3.75Å; F941-V945 HydrophobicContact CE2-CG2 4.22Å; F941-V945 HydrophobicContact CZ-CG2 3.79Å; F941-V945 WeakPolarHBondContact O-CG2 3.41Å; F941-V945 PolarHBondContact O-N 3.07Å; F941-L953 HydrophobicContact CD2-CD1 4.3Å
942I51.6Low40.3Very low20 Ų2075 Ų7510%0.10342%0.421CS..Hα-helixtrans-56.8-42.1176.2-73.8-136.6000111.8L702 F804 F864 V938 I939 V945 R946L702-I942 HydrophobicContact CD1-CD1 4.39Å; L702-I942 HydrophobicContact CD1-CG2 3.95Å; L702-I942 HydrophobicContact CD2-CD1 4.2Å; L702-I942 HydrophobicContact CD2-CG2 3.87Å; F804-I942 HydrophobicContact CE1-CD1 3.97Å; F804-I942 HydrophobicContact CE1-CG1 4.18Å; F804-I942 HydrophobicContact CZ-CD1 3.59Å; F804-I942 HydrophobicContact CZ-CG1 3.69Å; F864-I942 HydrophobicContact CD1-CD1 3.71Å; F864-I942 HydrophobicContact CE1-CD1 3.16Å; F864-I942 HydrophobicContact CE1-CG1 3.75Å; F864-I942 HydrophobicContact CZ-CD1 3.74Å; F864-I942 HydrophobicContact CZ-CG1 4.35Å; V938-I942 WeakPolarHBondContact O-CG1 3.31Å; V938-I942 PolarHBondContact O-N 3.41Å; I939-I942 PolarHBondContact O-N 2.76Å; I942-V945 PolarHBondContact O-N 3.4Å; I942-R946 WeakPolarHBondContact O-CB 3.46Å; I942-R946 PolarHBondContact O-N 2.97Å
943L43.6Very low40.3Very low73 Ų7373.9 Ų73.938%0.38241%0.407SS..Hα-helixtrans-65.4-40.4178-70.1170.6000111.9I939 P940 F941 R946 L947I939-L943 HydrophobicContact CG2-CD1 4.12Å; I939-L943 WeakPolarHBondContact O-CG 3.26Å; I939-L943 PolarHBondContact O-N 2.83Å; P940-L943 PolarHBondContact O-N 2.81Å; F941-L943 VanDerWaalsContact C-N 3.28Å; F941-L943 PolarHBondContact O-N 3.21Å; L943-R946 PolarHBondContact O-N 3.45Å; L943-L947 WeakPolarHBondContact O-CB 3.41Å; L943-L947 VanDerWaalsContact O-CG 3.23Å; L943-L947 WeakPolarHBondContact O-CG 3.39Å; L943-L947 PolarHBondContact O-N 3.07Å
944N45.4Very low40.1Very low59 Ų5973 Ų7332%0.31641%0.408SS..Hα-helixtrans-69.5-37.6176.3-82.6-62.6000113.3P940 F941 R946 L947 G948 N949P940-N944 WeakPolarHBondContact O-CB 3.47Å; P940-N944 PolarHBondContact O-N 3.2Å; P940-N944 PolarHBondContact O-ND2 2.87Å; F941-N944 PolarHBondContact O-N 3.07Å; F941-N944 VanDerWaalsContact O-N 3.13Å; N944-R946 VanDerWaalsContact C-N 3.35Å; N944-L947 CarbonylContact O-C 3.43Å; N944-L947 PolarHBondContact O-N 3.23Å; N944-G948 PolarHBondContact O-N 3.35Å; N944-N949 HydrophobicContact CB-CB 4.34Å; N944-N949 PolarHBondContact O-N 2.81Å; N944-N949 PolarHBondContact OD1-ND2 3.46Å; N944-N949 VanDerWaalsContact OD1-ND2 3.14Å
945V46.3Very low39.4Very low13 Ų1376.5 Ų76.58%0.07942%0.417CS..Hα-helixtrans-62.5-43.7171.9177.90000110.5F804 F941 I942 L947 G948F804-V945 HydrophobicContact CD2-CB 4.47Å; F804-V945 HydrophobicContact CD2-CG1 4.01Å; F804-V945 HydrophobicContact CD2-CG2 4.1Å; F804-V945 HydrophobicContact CE2-CB 3.97Å; F804-V945 HydrophobicContact CE2-CG1 3.75Å; F804-V945 HydrophobicContact CE2-CG2 3.91Å; F941-V945 HydrophobicContact CD1-CG2 4.15Å; F941-V945 HydrophobicContact CE1-CG2 3.75Å; F941-V945 HydrophobicContact CE2-CG2 4.22Å; F941-V945 HydrophobicContact CZ-CG2 3.79Å; F941-V945 WeakPolarHBondContact O-CG2 3.41Å; F941-V945 PolarHBondContact O-N 3.07Å; I942-V945 PolarHBondContact O-N 3.4Å; V945-L947 PolarHBondContact O-N 3.25Å; V945-G948 PolarHBondContact O-N 3.41Å; V945-G948 VanDerWaalsContact O-N 3.11Å
946R41.8Very low38.6Very low84 Ų8477 Ų7732%0.31743%0.43SS..Hα-helixtrans-63.9-26.5176.5-172.1-174.6-179.9104.9-6.2113.2L702 I942 L943 N944L702-R946 PolarHBondContact O-NH1 2.97Å; I942-R946 WeakPolarHBondContact O-CB 3.46Å; I942-R946 PolarHBondContact O-N 2.97Å; L943-R946 PolarHBondContact O-N 3.45Å; N944-R946 VanDerWaalsContact C-N 3.35Å
947L39.7Very low38Very low125 Ų12572.9 Ų72.965%0.65443%0.43SS*.Hα-helixtrans-88.7-10.9175.9-70.2168.8000113.6L943 N944 V945L943-L947 WeakPolarHBondContact O-CB 3.41Å; L943-L947 VanDerWaalsContact O-CG 3.23Å; L943-L947 WeakPolarHBondContact O-CG 3.39Å; L943-L947 PolarHBondContact O-N 3.07Å; N944-L947 CarbonylContact O-C 3.43Å; N944-L947 PolarHBondContact O-N 3.23Å; V945-L947 PolarHBondContact O-N 3.25Å
948G34.8Very low37.1Very low60 Ų6076.4 Ų76.462%0.61945%0.45SS*.THydrogen-bonded Turntrans83.513.7-179.900000115.4N944 V945 C950N944-G948 PolarHBondContact O-N 3.35Å; V945-G948 PolarHBondContact O-N 3.41Å; V945-G948 VanDerWaalsContact O-N 3.11Å; G948-C950 VanDerWaalsContact C-N 3.28Å; G948-C950 PolarHBondContact O-N 3.06Å
949N39.8Very low35.8Very low76 Ų7683.3 Ų83.341%0.40649%0.486SS..  trans-8316.3-169-68.3-17.7000115.2N944 S951N944-N949 HydrophobicContact CB-CB 4.34Å; N944-N949 PolarHBondContact O-N 2.81Å; N944-N949 PolarHBondContact OD1-ND2 3.46Å; N944-N949 VanDerWaalsContact OD1-ND2 3.14Å; N949-S951 PolarHBondContact O-N 3.39Å
950C35.7Very low34.9Very low34 Ų3486 Ų8623%0.2351%0.506CS..THydrogen-bonded Turntrans-75.28-163.6-64.40000116.7L803 G948L803-C950 HydrophobicContact CD1-CB 3.9Å; L803-C950 HydrophobicContact CD2-CB 4.14Å; G948-C950 VanDerWaalsContact C-N 3.28Å; G948-C950 PolarHBondContact O-N 3.06Å
951S33.6Very low34.4Very low106 Ų10688.6 Ų88.674%0.74152%0.52SS*.THydrogen-bonded Turntrans-86.8-2.8177.345.80000114.5N949N949-S951 PolarHBondContact O-N 3.39Å
952T31.7Very low33.1Very low90 Ų9093.2 Ų93.255%0.55255%0.55SS*.  trans-133.559.5-175.358.80000113.7
953L27.5Very low31.9Very low82 Ų8298.1 Ų98.143%0.42958%0.583SS.*  trans-130.865.5170.1-79.7176.2000112.4F941 Y955F941-L953 HydrophobicContact CD2-CD1 4.3Å; L953-Y955 HydrophobicContact CD2-CE2 4.15Å
954T26.6Very low31Very low128 Ų128100.1 Ų100.179%0.78560%0.598SS**  trans-95.1102.6159270000108.8P956T954-P956 WeakPolarHBondContact O-CD 3.36Å
955Y24.9Very low30.2Very low138 Ų138105.4 Ų105.454%0.54162%0.621SS.*  trans-76.7121175.8-73.3-78.1000111.2L953L953-Y955 HydrophobicContact CD2-CE2 4.15Å
956P24Very low29.1Very low129 Ų129110.6 Ų110.684%0.83865%0.647SS**  trans-95.2103.5172.134-26000110.3T954T954-P956 WeakPolarHBondContact O-CD 3.36Å
957G25.3Very low28.5Very low72 Ų72115.4 Ų115.474%0.74267%0.67SS**  trans150.858167.700000118.9
958L24.8Very low27.8Very low163 Ų163114.1 Ų114.185%0.85367%0.672SS**  trans-144.386.6155.4-150.980.5000111.4
959L24.4Very low27.5Very low156 Ų156118.4 Ų118.482%0.81768%0.675SS**  trans-120.786.7176.2-122.8171.8000109.3T961L959-T961 HydrophobicContact CD2-CG2 3.9Å; L959-T961 PolarHBondContact O-N 3Å
960T24.8Very low27Very low117 Ų117121.9 Ų121.972%0.71869%0.689SS**  trans-87.680.3179.851.70000110.9V962T960-V962 PolarHBondContact O-N 2.8Å
961T25.6Very low26.7Very low117 Ų117126.1 Ų126.172%0.71871%0.706SS**  trans-89.998.8171.550.10000110.9L959L959-T961 HydrophobicContact CD2-CG2 3.9Å; L959-T961 PolarHBondContact O-N 3Å
962V22.5Very low26.5Very low116 Ų116128.1 Ų128.170%0.70370%0.703SS**  trans-93.4128.2166.8175.30000109.7T960 T964T960-V962 PolarHBondContact O-N 2.8Å; V962-T964 HydrophobicContact CG1-CG2 3.85Å
963P27.8Very low26.2Very low123 Ų123131.9 Ų131.980%0.79971%0.714SS**  trans-111.4112.3157.133.3-23.1000110.7
964T24.1Very low26.2Very low114 Ų114135 Ų13570%0.69974%0.737SS**  trans-104.7112.5175.734.10000112.5V962V962-T964 HydrophobicContact CG1-CG2 3.85Å
965Q28.1Very low26.2Very low171 Ų171133.5 Ų133.580%0.79973%0.732SS**  trans-152.1141.2157.6-82.7-75.9-30.600106.4
966I24.6Very low26.3Very low122 Ų122138.1 Ų138.163%0.62675%0.749SS**  cis160.1143.7-24.9-95.7163.9000104.8
967K27.5Very low26.3Very low184 Ų184136.3 Ų136.380%0.874%0.739SS**  trans90.1116-170.7-61.5176.6179.6179.50113.6
968S25.2Very low26.5Very low99 Ų99142.7 Ų142.769%0.69275%0.746SS**  77.7140.852.781.60000112.4
969Q29.6Very low26.9Very low149 Ų149140.8 Ų140.870%0.69674%0.742SS**  cis-165.2152.722.4-158.2179.6-14.500111.9
970H30Very low27.1Very low149 Ų149137.3 Ų137.369%0.6974%0.736SS**  trans56.4174.3159.2-74.4-38.2000119.6
971Q28.1Very low27.3Very low124 Ų124138.9 Ų138.958%0.57974%0.74SS**  cis-167.8146.3-45.1174.4162.8-3000110.1
972Q29Very low27.5Very low147 Ų147138.6 Ų138.669%0.68774%0.742SS**  trans57.8124.7162.1-80.2161.1-27.200121.5
973Q26.2Very low27.9Very low169 Ų169138 Ų13879%0.7974%0.744SS**  trans18.1120.8132.1-61.1170.7-29.200119
974T28.3Very low28.1Very low148 Ų148140 Ų14091%0.90874%0.742SS**  -173.2173.1103.324.80000112.3
975S25.1Very low28.3Very low97 Ų97139.4 Ų139.468%0.67874%0.742SS**  trans-93.6165-160.857.40000117.1
976R26.8Very low28.4Very low235 Ų235139.1 Ų139.189%0.88774%0.739SS**  trans84.9154.4161.1-62.8179.7-178.9178.2-0.4117.8
977S25.5Very low28.6Very low90 Ų90139.5 Ų139.563%0.62974%0.742SS**  cis171.8125.9-48.549.60000111.3
978F29.6Very low28.4Very low206 Ų206135.2 Ų135.290%0.90473%0.731SS**  trans-176.7157.6165.3-81.7-30.7000107.8
979T31.7Very low28.3Very low123 Ų123140.7 Ų140.776%0.75574%0.738SS**  cis-160.6163.8-10.6160000110.8
980A29.2Very low28.1Very low84 Ų84139.4 Ų139.469%0.69474%0.741SS**  trans18.6143.2139.500000121.7
981D28.4Very low28Very low150 Ų150139.4 Ų139.480%0.80275%0.751SS**  cis-164171.2-3.5-128.9-46.9000114.8
982S30.1Very low27.9Very low110 Ų110140 Ų14077%0.76976%0.762SS**  trans69.5144.1173.279.70000117.2
983S31.5Very low27.9Very low105 Ų105136.5 Ų136.573%0.73476%0.759SS**  cis-137.9160.17.352.60000113.5
984H30.9Very low27.9Very low164 Ų164135.5 Ų135.576%0.75976%0.759SS**  trans-28.8154.6-172.5-47.3-70.5000120.4F986H984-F986 AromaticContact ND1-CE2 3.74Å
985S29Very low28Very low101 Ų101134.4 Ų134.471%0.70675%0.753SS**  cis-149.7134.919.3580000116.1
986F30.1Very low28.1Very low166 Ų166134.1 Ų134.173%0.72875%0.75SS**  trans23152.1135.2-54.8-70.4000122.7H984H984-F986 AromaticContact ND1-CE2 3.74Å
987N28.2Very low28.1Very low129 Ų129128.8 Ų128.869%0.6974%0.744SS**  cis-170.4111.8-34-129.20.2000110.5
988T24.4Very low28.2Very low95 Ų95130 Ų13058%0.58375%0.748SS**  49.8106.1113.6-440000121.7
989Y23.2Very low28.2Very low214 Ų214126.6 Ų126.684%0.83974%0.739SS**  trans59.7162.3143.4-58-31.7000120.1
990T24.3Very low28.4Very low121 Ų121128 Ų12874%0.74274%0.741SS**  cis-164.4152.5-14.6200000108.2
991V28Very low28.4Very low149 Ų149129.3 Ų129.390%0.90374%0.737SS**  trans-158.3162.4148.3132.40000109.2
992V25.7Very low28.5Very low136 Ų136130.4 Ų130.482%0.82474%0.735SS**  trans-118.6159.8-168177.50000111.4
993A29.2Very low28.6Very low75 Ų75134.1 Ų134.162%0.6274%0.737SS**  trans104.2109.3157.500000119.6
994N27.5Very low28.4Very low148 Ų148135.2 Ų135.279%0.79174%0.739SS**  76151127.9-60.2-1.5000123
995T30.4Very low28.6Very low125 Ų125132.8 Ų132.877%0.76774%0.738SS**  trans60.892.4155.442.80000120
996S26.7Very low28.7Very low90 Ų90133.2 Ų133.263%0.62974%0.741SS**  36.2127.6116.760.90000121.4
997T27.2Very low29Very low124 Ų124132.9 Ų132.976%0.76175%0.747SS**  trans61.3139.9138.1580000119.3
998T27.3Very low29.6Very low115 Ų115132.1 Ų132.171%0.70675%0.749SS**  cis-159.1-157.7313.20000109.3
999D29.7Very low29.8Very low135 Ų135136 Ų13672%0.72276%0.761SS**  trans85.2138161-44.8-19.6000114.8
1000L34.5Very low30.2Very low152 Ų152134.4 Ų134.480%0.79676%0.761SS**  cis-119129.717.5-71.2157.2000114.6
1001D29.1Very low30.3Very low112 Ų112132.9 Ų132.960%0.59976%0.755SS**  trans33.3119.8137.7-63.9-58.8000122.4
1002F32.2Very low30.2Very low173 Ų173135.7 Ų135.776%0.75975%0.751SS**  -173.1124.279.8-105.9-71.3000114.3
1003K32.1Very low30.3Very low187 Ų187134.7 Ų134.781%0.81375%0.745SS**  trans36.8116.2150.8-75.7-178.8177.2177.60122.7
1004T26.5Very low30.2Very low129 Ų129139.2 Ų139.279%0.79175%0.751SS**  -82-174.8129.557.70000109.8
1005P36.1Very low30.5Very low113 Ų113143.3 Ų143.373%0.73476%0.755SS**  cis-129.7-161.4-8.439.3-19.5000113.3
1006S31.2Very low30.6Very low109 Ų109142.8 Ų142.876%0.76275%0.748SS**  trans124.4111142.7-59.20000118.3
1007D35.8Very low30.9Very low159 Ų159145.8 Ų145.885%0.8576%0.755SS**  trans-91.4157.8138.8-78.5-59.5000107.3
1008P40.5Very low31Very low114 Ų114144.9 Ų144.974%0.7475%0.754SS**  cis-153.2175.64743.1-21.5000119.5
1009E28.4Very low31.2Very low177 Ų177144.3 Ų144.383%0.82775%0.752SS**  trans39.4150.2147.9-66.7-155.6134.300125.9
1010Q31.4Very low30.9Very low180 Ų180146 Ų14684%0.84176%0.755SS**  trans83.5145.1166.5-51.7-171.424.800118.7
1011S26.3Very low30.4Very low89 Ų89144 Ų14462%0.62275%0.754SS**  cis-163.4167-32.865.10000110.6
1012Y26.6Very low30.5Very low207 Ų207142.5 Ų142.581%0.81276%0.758SS**  trans56.5108162.6-75.8-82000122.3
1013T28.3Very low30.2Very low115 Ų115139.4 Ų139.471%0.70676%0.758SS**  trans78.5128.9131.2520000124.7
1014K26.8Very low30Very low170 Ų170138.2 Ų138.274%0.73976%0.755SS**  trans48.5117.5134.6-65.5-179.8175.8177.40119.4
1015R34.4Very low30Very low234 Ų234138.5 Ų138.588%0.88375%0.751SS**  -129.6128.478.7-64.9-166.3-179.8131.25.3108.3
1016N31.9Very low29.7Very low114 Ų114139.4 Ų139.461%0.6176%0.755SS**  56.8125.387.8-43.9-10000110.1
1017I33.4Very low29.7Very low154 Ų154141.1 Ų141.179%0.7975%0.754SS**  cis-14714331.1-72176.7000107.5
1018S28Very low29.6Very low105 Ų105141 Ų14173%0.73475%0.752SS**  cis51.7108.9-1.4-159.80000116.7
1019P33.3Very low29.1Very low102 Ų102139.4 Ų139.466%0.66275%0.749SS**  -121.6165.7674.620000113.7
1020E22.7Very low29.5Very low170 Ų170135.7 Ų135.779%0.79474%0.739SS**  cis87.4142.941.4-156.6-171.5-176.200114.1
1021S23.5Very low29.3Very low110 Ų110138.5 Ų138.577%0.76974%0.742SS**  trans72.9179.2162.985.20000119.4
1022A32.3Very low29.5Very low82 Ų82141.5 Ų141.568%0.67875%0.75SS**  trans38.997.1166.600000118.4
1023S25.2Very low29.6Very low108 Ų108140.9 Ų140.976%0.75575%0.746SS**  72.8120.167.383.80000117
1024H27.3Very low29.7Very low161 Ų161145 Ų14575%0.74575%0.749SS**  trans69.5106.7151.4-75.6-35.4000124.5
1025N26.8Very low29.6Very low135 Ų135143.2 Ų143.272%0.72275%0.747SS**  6698.3115.2-60.511.9000121.3
1026T29.3Very low29Very low133 Ų133141 Ų14182%0.81674%0.744SS**  trans-145.5162.7134.453.40000109.3
1027I32.5Very low28.6Very low145 Ų145141.1 Ų141.174%0.74475%0.754SS**  cis-149.2124.1-35.9-108.8164.3000105.3
1028I32.7Very low28.1Very low156 Ų156141.4 Ų141.480%0.876%0.756SS**  -175.4119.2111.3-78.9155.5000103.4
1029A31.2Very low27.8Very low81 Ų81140.9 Ų140.967%0.66975%0.753SS**  cis83.8141.540.200000114.1
1030P35.1Very low27.4Very low98 Ų98141.7 Ų141.764%0.63675%0.746SS**  cis-137131.8-3.234-12.5000117.5
1031R27.3Very low27.4Very low239 Ų239142.3 Ų142.390%0.90274%0.741SS**  trans72159.1141.2-54.8165.7-178.9159.8-0.6115.9
1032I30.5Very low27.6Very low152 Ų152140.8 Ų140.878%0.77973%0.73SS**  cis-136.5132.922.8-69.7171.4000112.1
1033R29.2Very low27.3Very low195 Ų195145.4 Ų145.474%0.73674%0.738SS**  trans26.9149.9140.8-56.4177175.8178-1.3120.9
1034R29.7Very low27.6Very low202 Ų202149.5 Ų149.576%0.76274%0.742SS**  cis-166.4176.9-2.5-115.3171.4-172.7163.5-2.6110.9
1035N24.6Very low27.9Very low132 Ų132146.9 Ų146.971%0.70674%0.737SS**  trans-78.9171.5178.3-57-3.5000114.8
1036F23.2Very low28Very low187 Ų187147.4 Ų147.482%0.8274%0.739SS**  trans93.3142.8147.6-73.3-62.8000122.8
1037S23.3Very low28.1Very low117 Ų117147.4 Ų147.482%0.81873%0.734SS**  trans71.9142.8151.647.80000121.6
1038L22Very low28Very low159 Ų159149.2 Ų149.283%0.83274%0.736SS**  trans-64.6158.3172.9-64.6151.7000112.2
1039S23.3Very low27.8Very low94 Ų94153.6 Ų153.666%0.65774%0.743SS**  trans27.5128.7150.660.90000119.3
1040F23.5Very low27.8Very low119 Ų119159.1 Ų159.152%0.52275%0.752SS.*  -148157.152.1-95.7-106.9000109.7N1055F1040-N1055 WeakPolarHBondContact CE2-ND2 3.47Å; F1040-N1055 WeakPolarHBondContact CZ-ND2 3.48Å; F1040-N1055 WeakPolarHBondContact CZ-OD1 3.32Å
1041R24.1Very low27.7Very low183 Ų183158.2 Ų158.269%0.69175%0.747SS**  41.9135.685-102.5-154.1169.5-177.8-3113.4
1042S26.3Very low27.9Very low78 Ų78151 Ų15155%0.54573%0.733SS.*  cis-177.6169-9.251.60000111.3
1043H27.1Very low28Very low179 Ų179153 Ų15383%0.82973%0.731SS**  trans65.8132.1154.2-77.3-152.5000119.5
1044K30.9Very low28.2Very low194 Ų194146.6 Ų146.684%0.84373%0.726SS**  -171.7148.3109.1-95.3-175.8178.7177.80106.4
1045T33.2Very low28.3Very low106 Ų106143.3 Ų143.365%0.6572%0.723SS**  cis-159.4174.5-11.78.30000106.1
1046L30.1Very low28.7Very low146 Ų146140.7 Ų140.776%0.76473%0.728SS**  cis-130.6175.713-65.777.7000107.6
1047L30.9Very low29Very low134 Ų134137 Ų13770%0.70273%0.725SS**  cis-165.2160.8-16.6-133.162.2000104.8
1048K30.2Very low29.3Very low183 Ų183140 Ų14080%0.79672%0.724SS**  cis-139.4160.70.5-63.5162.9-178.3172.40104.4
1049R28.5Very low29.6Very low247 Ų247142.6 Ų142.693%0.93272%0.723SS**  cis-158.9168-6.8-107176.4174-177.7-2.6103.9
1050K30Very low30Very low198 Ų198143 Ų14386%0.86172%0.722SS**  cis-132.7-74.51.6-175.5-169.7179.4-178.50111.3
1051S33.2Very low30.2Very low78 Ų78143.6 Ų143.655%0.54573%0.73SS.*  trans-159-172.5-166.259.70000110.3
1052S33.2Very low30.5Very low87 Ų87140.9 Ų140.961%0.60873%0.729SS**  cis-145.3-165.611.4-53.80000112.2
1053W30.8Very low30.6Very low195 Ų195144 Ų14474%0.73974%0.74SS**  trans-149171.8-178.8-32.6-77.1000109.6
1054G33.7Very low30.8Very low60 Ų60146.5 Ų146.562%0.61974%0.742SS**  cis135.5140.6-7.300000114.5
1055N33.1Very low30.7Very low133 Ų133142 Ų14271%0.71174%0.735SS**  trans79.4165.6177.6-44.4-28.8000115.4F1040F1040-N1055 WeakPolarHBondContact CE2-ND2 3.47Å; F1040-N1055 WeakPolarHBondContact CZ-ND2 3.48Å; F1040-N1055 WeakPolarHBondContact CZ-OD1 3.32Å
1056G31.4Very low30.5Very low77 Ų77142.1 Ų142.179%0.79474%0.74SS**  cis163.9174.5-1.300000109.8
1057S30.2Very low30.4Very low111 Ų111140.2 Ų140.278%0.77675%0.745SS**  cis-169.4-151.2-4.5-1670000109.5
1058F29.9Very low30.3Very low179 Ų179138.4 Ų138.479%0.78574%0.744SS**  trans77.7140.5177.7-65.4-94.8000116
1059R28.9Very low30.3Very low213 Ų213134.6 Ų134.680%0.80474%0.74SS**  cis110.4141.121.1-94.9-162.1171.1-165.9-1.3111.1
1060T29.9Very low30.4Very low104 Ų104127 Ų12764%0.63873%0.725SS**  cis-171.4154-12.913.20000111.5
1061N29.7Very low30.6Very low130 Ų130124.2 Ų124.270%0.69572%0.72SS**  trans75.3113.8148.3-70.315.6000124
1062N30.2Very low30.6Very low127 Ų127128 Ų12868%0.67973%0.732SS**  79.3122.1118.9-64.79.4000124.8
1063N28.1Very low30.6Very low142 Ų142127.5 Ų127.576%0.75973%0.733SS**  trans98134.3130.3-72.5-6.8000122.1
1064R30Very low30.5Very low233 Ų233124.1 Ų124.188%0.87973%0.734SS**  trans72119.4169.7-64.9177.2175169.1-2.8114.8
1065S29.8Very low30.4Very low100 Ų100126.6 Ų126.670%0.69974%0.738SS**  72.8127.651.379.50000113.2
1066S28.5Very low30.2Very low107 Ų107126.9 Ų126.975%0.74874%0.738SS**  cis-176.6148.23.642.40000112.6
1067A28.2Very low30Very low106 Ų106130.7 Ų130.788%0.87674%0.739SS**  trans61.4165.1163.500000116.6
1068S28.3Very low29.9Very low97 Ų97130.4 Ų130.468%0.67874%0.737SS**  cis-137.6154.5-0.661.20000109.1
1069S29.7Very low29.6Very low102 Ų102128.4 Ų128.471%0.71374%0.735SS**  49.7143.680.4122.40000114.2
1070S31.8Very low29.4Very low89 Ų89127.1 Ų127.162%0.62274%0.74SS**  cis-173.4-162.93.740.60000109.6
1071N33.5Very low29.2Very low139 Ų139129.1 Ų129.174%0.74375%0.746SS**  trans128.5152.7146-60.9-11.9000112.9
1072I34.1Very low29.3Very low158 Ų158128.6 Ų128.681%0.8175%0.75SS**  cis-148.6160.17.4-141.3163.4000107
1073A31.9Very low29.1Very low76 Ų76125.3 Ų125.363%0.62875%0.746SS**  cis-155.5-172.94.300000106.1
1074T30.4Very low29Very low123 Ų123124.6 Ų124.676%0.75575%0.752SS**  cis-172.1169.5-30.629.80000104.6
1075T31.4Very low28.9Very low113 Ų113122 Ų12269%0.69375%0.75SS**  cis-135.1140.313.130.50000108.4
1076L28Very low28.7Very low139 Ų139122 Ų12273%0.72875%0.75SS**  52.8133.986.9-53.3179.3000113.4
1077L26.9Very low28.5Very low156 Ų156122.6 Ų122.682%0.81775%0.754SS**  cis-159.1170.64.2-105.7159.3000106.5
1078S28.4Very low28.4Very low105 Ų105122 Ų12273%0.73475%0.75SS**  cis-161.9152.216.843.70000111.8
1079D23.6Very low28.3Very low138 Ų138126 Ų12674%0.73876%0.757SS**  trans-78.6156.3168.6-72.2-74.5000114.1
1080M25.8Very low28Very low185 Ų185132 Ų13291%0.91176%0.764SS**  trans-151.8104.6139.3-91.4-54.4129.700111.6
1081L24.4Very low27.6Very low146 Ų146133.8 Ų133.876%0.76478%0.777SS**  trans-98.7-175.1157.9-91.9164.6000107.7
1082P33.1Very low27.2Very low120 Ų120130.8 Ų130.878%0.77978%0.779SS**  cis-138.71737.942.1-24.4000117.3
1083G24.5Very low26.8Very low58 Ų58133 Ų13360%0.59879%0.786SS**  102.2118.2116.700000120.6
1084S26Very low26.4Very low126 Ų126134.4 Ų134.488%0.88179%0.791SS**  trans-161.6151.5139.1-87.70000111.2
1085H29Very low26.4Very low178 Ų178133.6 Ų133.682%0.82479%0.788SS**  trans-109.3131.4-160.9-77.7-105.5000115.1
1086S24.1Very low26.1Very low100 Ų100134.8 Ų134.870%0.69980%0.795SS**  trans43.3132.8136.566.40000124
1087S24.6Very low26.2Very low120 Ų120135.2 Ų135.284%0.83979%0.791SS**  trans75.297.7135.863.20000122.2
1088A27.6Very low26.3Very low95 Ų95130.9 Ų130.979%0.78578%0.784SS**  trans-140.6123.6136.700000106.4
1089Q24.7Very low26.3Very low179 Ų179131.8 Ų131.884%0.83679%0.79SS**  91.4113.664-167.5177.520.300113.5
1090R23.1Very low26.6Very low228 Ų228130.1 Ų130.186%0.8678%0.781SS**  trans78.9139.8166.2-80.5-178.3166.5-159-2.5121.8
1091S24.8Very low27Very low128 Ų128130 Ų13090%0.89578%0.778SS**  trans79.3147155.475.90000119.5
1092G25.7Very low27.5Very low76 Ų76131 Ų13178%0.78477%0.772SS**  trans94.740.4158.300000120.1S1094G1092-S1094 PolarHBondContact O-N 2.98Å
1093Q25.7Very low27.6Very low203 Ų203130.3 Ų130.395%0.94976%0.761SS**  trans-92.794.5168.2-78.3-167.1-800113.1
1094S23Very low28.3Very low106 Ų106131.1 Ų131.174%0.74175%0.746SS**  trans-73.7140156-710000110G1092 V1096G1092-S1094 PolarHBondContact O-N 2.98Å; S1094-V1096 PolarHBondContact O-N 2.87Å; S1094-V1096 VanDerWaalsContact O-N 3.09Å
1095P29.3Very low28.8Very low106 Ų106128 Ų12869%0.68872%0.72SS**  trans-74.7102.718029.6-33.8000111F1097P1095-F1097 PolarHBondContact O-N 2.91Å
1096V26.6Very low29.5Very low138 Ų138120 Ų12084%0.83668%0.683SS**  trans-58.3124.4168.7178.30000109.1S1094 G1098S1094-V1096 PolarHBondContact O-N 2.87Å; S1094-V1096 VanDerWaalsContact O-N 3.09Å; V1096-G1098 PolarHBondContact O-N 3.32Å; V1096-G1098 VanDerWaalsContact O-N 3.1Å
1097F30.3Very low30.4Very low149 Ų149117.2 Ų117.265%0.65466%0.659SS**  trans-74.2101174.4-91.8-91.9000110P1095P1095-F1097 PolarHBondContact O-N 2.91Å
1098G28.6Very low31.5Very low64 Ų64111.6 Ų111.666%0.6662%0.62SS**  trans-61.4151.2171.300000112.6V1096 D1100V1096-G1098 PolarHBondContact O-N 3.32Å; V1096-G1098 VanDerWaalsContact O-N 3.1Å; G1098-D1100 PolarHBondContact O-N 2.95Å; G1098-D1100 VanDerWaalsContact O-N 3.15Å
1099S27.2Very low32.2Very low124 Ų124108.1 Ų108.187%0.86759%0.587SS**SBendtrans-71.8100-175.753.40000113
1100D30.5Very low33.3Very low104 Ų104101 Ų10156%0.55655%0.552SS**  trans-147.470.5166.9-158.528.4000110.6G1098 R1102G1098-D1100 PolarHBondContact O-N 2.95Å; G1098-D1100 VanDerWaalsContact O-N 3.15Å; D1100-R1102 VanDerWaalsContact C-N 3.3Å; D1100-R1102 PolarHBondContact O-N 2.8Å; D1100-R1102 IonicContact OD1-NE 3.96Å; D1100-R1102 IonicContact OD1-NH2 3.93Å; D1100-R1102 IonicContact OD2-CZ 3.19Å; D1100-R1102 IonicContact OD2-NE 2.74Å; D1100-R1102 PolarHBondContact OD2-NE 3.43Å; D1100-R1102 IonicContact OD2-NH2 2.76Å; D1100-R1102 PolarHBondContact OD2-NH2 2.9Å
1101Q34.8Very low34.2Very low181 Ų18194.7 Ų94.785%0.84653%0.529SS*.  trans-72.378-177.5-71.2-168.410.600112.2L1103Q1101-L1103 PolarHBondContact O-N 3.4Å
1102R34.6Very low35.1Very low167 Ų16790 Ų9063%0.6350%0.496SS*.  trans-75115.8174.1-62.3-175.8-172.6-123.9-9.9110.5D1100 W1104D1100-R1102 VanDerWaalsContact C-N 3.3Å; D1100-R1102 PolarHBondContact O-N 2.8Å; D1100-R1102 IonicContact OD1-NE 3.96Å; D1100-R1102 IonicContact OD1-NH2 3.93Å; D1100-R1102 IonicContact OD2-CZ 3.19Å; D1100-R1102 IonicContact OD2-NE 2.74Å; D1100-R1102 PolarHBondContact OD2-NE 3.43Å; D1100-R1102 IonicContact OD2-NH2 2.76Å; D1100-R1102 PolarHBondContact OD2-NH2 2.9Å; R1102-W1104 PolarHBondContact O-NE1 2.79Å
1103L35.6Very low35.9Very low106 Ų10688.7 Ų88.756%0.55547%0.471SS*.  trans-80.2136.7172.1-64.7171.4000110.6Q1101 I1177 P1179Q1101-L1103 PolarHBondContact O-N 3.4Å; L1103-I1177 HydrophobicContact CB-CG2 3.69Å; L1103-I1177 HydrophobicContact CD1-CG2 4.17Å; L1103-I1177 HydrophobicContact CG-CG2 4.39Å; L1103-P1179 HydrophobicContact CD2-CB 4.42Å
1104W37.5Very low36.8Very low76 Ų7682.2 Ų82.229%0.28845%0.446SS..EExtended strand (participates in β ladder)trans-104.1123.4-177.7-51.795.7000111.1R1102 I1106 I1177 S1178 P1179 V1380R1102-W1104 PolarHBondContact O-NE1 2.79Å; W1104-I1106 HydrophobicContact CB-CD1 4.16Å; W1104-I1106 HydrophobicContact CB-CG1 3.93Å; W1104-I1106 PolarHBondContact O-N 3.44Å; W1104-I1177 WeakPolarHBondContact O-CA 3.23Å; W1104-S1178 PolarHBondContact N-O 2.97Å; W1104-S1178 PolarHBondContact O-N 3.46Å; W1104-P1179 PolarHBondContact NE1-O 3.17Å; W1104-V1380 HydrophobicContact CZ3-CG2 4.4Å
1105D37.3Very low37.5Very low60 Ų6082.4 Ų82.432%0.32144%0.439SS..EExtended strand (participates in β ladder)trans-74.3108.5163.9179.315.2000109K1175 I1177 W1376D1105-K1175 IonicContact OD1-NZ 3.95Å; D1105-K1175 IonicContact OD2-NZ 2.87Å; D1105-K1175 PolarHBondContact OD2-NZ 3.09Å; D1105-I1177 HydrophobicContact CB-CG1 4.47Å; D1105-W1376 HydrophobicContact CB-CZ2 3.86Å; D1105-W1376 PolarHBondContact O-NE1 2.84Å
1106I43.9Very low37.9Very low11 Ų1183.9 Ų83.96%0.05644%0.436CS..EExtended strand (participates in β ladder)trans-112.1123-174-61.3166.3000108.8W1104 I1108 K1175 T1176 S1178 F1383W1104-I1106 HydrophobicContact CB-CD1 4.16Å; W1104-I1106 HydrophobicContact CB-CG1 3.93Å; W1104-I1106 PolarHBondContact O-N 3.44Å; I1106-I1108 HydrophobicContact CG2-CG1 3.92Å; I1106-K1175 WeakPolarHBondContact O-CA 3.44Å; I1106-T1176 HydrophobicContact CB-CG2 3.97Å; I1106-T1176 HydrophobicContact CD1-CG2 4.42Å; I1106-T1176 HydrophobicContact CG2-CG2 4.41Å; I1106-T1176 PolarHBondContact N-O 2.92Å; I1106-T1176 PolarHBondContact O-N 3.43Å; I1106-S1178 WeakPolarHBondContact CD1-OG 3.28Å; I1106-F1383 HydrophobicContact CD1-CE2 3.99Å; I1106-F1383 HydrophobicContact CD1-CZ 3.94Å; I1106-F1383 HydrophobicContact CG1-CE2 4.39Å
1107Q42.6Very low38.1Very low40 Ų4083.6 Ų83.619%0.18744%0.435CS..EExtended strand (participates in β ladder)trans-100.8114.9170.9-174170.3-51.500110.2E1109 T1173 K1175 T1373 V1375Q1107-E1109 HydrophobicContact CG-CG 4.49Å; Q1107-E1109 PolarHBondContact NE2-OE1 2.85Å; Q1107-T1173 HydrophobicContact CG-CG2 3.55Å; Q1107-K1175 HydrophobicContact CB-CG 4.44Å; Q1107-K1175 HydrophobicContact CG-CG 4.4Å; Q1107-K1175 VanDerWaalsContact OE1-CE 3.25Å; Q1107-T1373 PolarHBondContact O-N 3.25Å; Q1107-V1375 HydrophobicContact CB-CG2 4.26Å
1108I47.1Very low38.2Very low3 Ų381.7 Ų81.72%0.01544%0.436CS..EExtended strand (participates in β ladder)trans-99.6134.6178.1-55179.6000108.4I1106 T1173 V1174 T1176 L1181 I1359 F1370I1106-I1108 HydrophobicContact CG2-CG1 3.92Å; I1108-T1173 WeakPolarHBondContact O-CA 3.45Å; I1108-V1174 PolarHBondContact N-O 2.77Å; I1108-V1174 PolarHBondContact O-N 2.9Å; I1108-T1176 HydrophobicContact CD1-CG2 4.41Å; I1108-L1181 HydrophobicContact CD1-CD1 4.31Å; I1108-I1359 HydrophobicContact CD1-CD1 4.39Å; I1108-I1359 HydrophobicContact CD1-CG2 4.01Å; I1108-I1359 HydrophobicContact CG2-CD1 4.38Å; I1108-F1370 HydrophobicContact CG2-CD2 4.35Å; I1108-F1370 HydrophobicContact CG2-CE2 3.72Å
1109E42.3Very low38Very low22 Ų2284.5 Ų84.510%0.10344%0.44CS..EExtended strand (participates in β ladder)trans-126.8130.9176.3-62.4-168.9-176.700111Q1107 R1171 S1172 T1173 Q1371Q1107-E1109 HydrophobicContact CG-CG 4.49Å; Q1107-E1109 PolarHBondContact NE2-OE1 2.85Å; E1109-R1171 IonicContact OE1-CZ 3.44Å; E1109-R1171 IonicContact OE1-NH2 3.21Å; E1109-R1171 PolarHBondContact OE1-NH2 2.65Å; E1109-R1171 IonicContact OE2-CZ 2.82Å; E1109-R1171 IonicContact OE2-NE 2.69Å; E1109-R1171 PolarHBondContact OE2-NE 3.49Å; E1109-R1171 IonicContact OE2-NH2 3.2Å; E1109-R1171 PolarHBondContact OE2-NH2 2.98Å; E1109-S1172 WeakPolarHBondContact CA-O 3.48Å; E1109-T1173 HydrophobicContact CG-CG2 4.08Å; E1109-Q1371 PolarHBondContact N-O 2.86Å; E1109-Q1371 PolarHBondContact O-N 2.68Å
1110Y48.3Very low38.2Very low28 Ų2885.2 Ų85.211%0.1143%0.433CS..EExtended strand (participates in β ladder)trans-141.5161.3-178.365.9-86.5000111.5R1171 S1172 V1174 W1364 L1367 F1369Y1110-R1171 WeakPolarHBondContact O-CA 3.36Å; Y1110-S1172 VanDerWaalsContact CE2-CB 3.49Å; Y1110-S1172 PolarHBondContact N-O 3.07Å; Y1110-S1172 VanDerWaalsContact N-O 3.16Å; Y1110-S1172 PolarHBondContact O-N 3.21Å; Y1110-S1172 VanDerWaalsContact OH-CB 3.31Å; Y1110-S1172 WeakPolarHBondContact OH-CB 3.32Å; Y1110-V1174 HydrophobicContact CE1-CG2 4.02Å; Y1110-W1364 HydrophobicContact CE1-CH2 4.32Å; Y1110-W1364 HydrophobicContact CE1-CZ3 4.13Å; Y1110-W1364 HydrophobicContact CE2-CE3 4.03Å; Y1110-W1364 AromaticContact CE2-CZ3 3.93Å; Y1110-W1364 HydrophobicContact CE2-CZ3 3.93Å; Y1110-W1364 AromaticContact CZ-CE3 3.92Å; Y1110-W1364 AromaticContact CZ-CH2 4Å; Y1110-W1364 AromaticContact CZ-CZ3 3.44Å; Y1110-W1364 VanDerWaalsContact CZ-CZ3 3.44Å; Y1110-W1364 WeakPolarHBondContact OH-CZ3 3.41Å; Y1110-L1367 HydrophobicContact CD2-CD2 3.55Å; Y1110-L1367 HydrophobicContact CE2-CD2 4.32Å; Y1110-L1367 HydrophobicContact CG-CD2 4.21Å; Y1110-F1369 WeakPolarHBondContact CA-O 3.38Å
1111W43Very low38Very low96 Ų9687.1 Ų87.136%0.36444%0.443SS..EExtended strand (participates in β ladder)trans-129.5110.3-178.7-65.683000109.9P1169 R1171 K1368 F1369W1111-P1169 HydrophobicContact CB-CB 4.31Å; W1111-P1169 HydrophobicContact CE3-CB 4.03Å; W1111-P1169 HydrophobicContact CE3-CG 3.84Å; W1111-P1169 HydrophobicContact CZ3-CG 4.36Å; W1111-P1169 WeakPolarHBondContact CZ3-O 3.43Å; W1111-R1171 HydrophobicContact CD2-CB 3.83Å; W1111-R1171 HydrophobicContact CD2-CG 4.38Å; W1111-R1171 HydrophobicContact CE3-CB 3.75Å; W1111-R1171 HydrophobicContact CH2-CB 3.78Å; W1111-R1171 HydrophobicContact CH2-CG 4.46Å; W1111-R1171 HydrophobicContact CZ2-CB 3.82Å; W1111-R1171 HydrophobicContact CZ2-CG 4.04Å; W1111-R1171 HydrophobicContact CZ3-CB 3.73Å; W1111-K1368 PolarHBondContact O-N 3.25Å; W1111-K1368 VanDerWaalsContact O-N 3.07Å; W1111-F1369 HydrophobicContact CB-CD2 4.45Å; W1111-F1369 PolarHBondContact N-O 2.92Å
1112S44.2Very low37.8Very low29 Ų2982.9 Ų82.920%0.20343%0.434CS..EExtended strand (participates in β ladder)trans-110.5159.2173.159.10000111.5P1169 R1170S1112-P1169 CarbonylContact O-C 3.51Å; S1112-P1169 WeakPolarHBondContact O-CA 3.4Å; S1112-P1169 WeakPolarHBondContact O-CB 3.44Å; S1112-R1170 PolarHBondContact O-N 3.4Å
1113I42.3Very low37.6Very low50 Ų5082.5 Ų82.526%0.25644%0.444SS..PPolyproline II helixtrans-102.6135.8171.4-66.5-177.2000108.5N1115 P1169 K1368I1113-N1115 PolarHBondContact O-N 3.16Å; I1113-P1169 HydrophobicContact CG1-CB 4.01Å; I1113-K1368 HydrophobicContact CD1-CD 4.08Å; I1113-K1368 VanDerWaalsContact CD1-CE 3.46Å
1114P43.2Very low37.3Very low67 Ų6784.9 Ų84.944%0.43546%0.457SS..PPolyproline II helixtrans-70.2118.117129-32.9000109.7Q1116 L1167P1114-Q1116 PolarHBondContact O-N 3.28Å; P1114-Q1116 VanDerWaalsContact O-N 3.17Å; P1114-L1167 HydrophobicContact CG-CD1 4.49Å
1115N39.1Very low37Very low109 Ų10990.7 Ų90.758%0.58349%0.488SS*.PPolyproline II helixtrans-59.2118.7177.9-69.8-30.4000110.7I1113 T1117 D1366I1113-N1115 PolarHBondContact O-N 3.16Å; N1115-T1117 PolarHBondContact O-N 2.82Å; N1115-D1366 PolarHBondContact ND2-OD2 2.78Å
1116Q36.1Very low36.7Very low137 Ų13792.7 Ų92.764%0.6451%0.507SS*.  trans-80.4114.6167.7-64.6-171.214.900108.2P1114 T1118P1114-Q1116 PolarHBondContact O-N 3.28Å; P1114-Q1116 VanDerWaalsContact O-N 3.17Å; Q1116-T1118 VanDerWaalsContact C-N 3.3Å; Q1116-T1118 PolarHBondContact O-N 2.84Å
1117T31.2Very low35.9Very low133 Ų13397.3 Ų97.382%0.81654%0.54SS*.  trans-72.188.1165.647.60000109N1115 T1119N1115-T1117 PolarHBondContact O-N 2.82Å; T1117-T1119 PolarHBondContact O-N 3.18Å
1118T32.3Very low35.3Very low108 Ų108104.6 Ų104.666%0.66357%0.574SS**  trans-64.7109164.741.20000108.9Q1116 I1120Q1116-T1118 VanDerWaalsContact C-N 3.3Å; Q1116-T1118 PolarHBondContact O-N 2.84Å; T1118-I1120 PolarHBondContact O-N 3.42Å
1119T25.6Very low34.3Very low123 Ų123111.6 Ų111.676%0.75561%0.61SS**  trans-67.894.3175.7-41.70000109.7T1117 N1121T1117-T1119 PolarHBondContact O-N 3.18Å; T1119-N1121 PolarHBondContact O-N 3.3Å
1120I31.9Very low33.7Very low139 Ų139116.1 Ų116.171%0.71364%0.639SS**  trans-77.2110.1168.9-62.2179.3000107.3T1118 S1122T1118-I1120 PolarHBondContact O-N 3.42Å; I1120-S1122 PolarHBondContact O-N 3.2Å
1121N25.5Very low32.7Very low144 Ų144119.4 Ų119.477%0.7767%0.667SS**  trans-69.6106.9170-81.1-6.4000109.4T1119T1119-N1121 PolarHBondContact O-N 3.3Å
1122S30.8Very low31.9Very low93 Ų93122.8 Ų122.865%0.6569%0.688SS**  trans-123.192.6165.359.30000109.2I1120 N1124I1120-S1122 PolarHBondContact O-N 3.2Å; S1122-N1124 PolarHBondContact O-N 3.5Å
1123N29.9Very low31.1Very low158 Ų158126 Ų12685%0.84571%0.711SS**  trans-66.7119.7173.5-75.7-8.6000109.5
1124N29.2Very low30.4Very low156 Ų156128.7 Ų128.783%0.83473%0.734SS**  trans-78.2126.8163.2-78.6-19.4000109.5S1122S1122-N1124 PolarHBondContact O-N 3.5Å
1125Q32.1Very low29.5Very low198 Ų198129.6 Ų129.693%0.92574%0.742SS**  trans-131.6160.4146.8-76.1-162-10.100108.9
1126S29.2Very low28.9Very low103 Ų103133.8 Ų133.872%0.7276%0.756SS**  trans-130.5151.1-14353.90000114.1
1127S27.6Very low28.4Very low108 Ų108132 Ų13276%0.75576%0.758SS**  trans45.7116.3145.3-49.60000117.4
1128Q30.4Very low28Very low192 Ų192131 Ų13190%0.89776%0.756SS**  -170.8171.281.1-92.4-178.22.500112.9
1129I25.3Very low27.6Very low150 Ų150129.8 Ų129.877%0.76976%0.757SS**  trans-73.3144.6167-68162.2000107.8
1130T30.2Very low27.6Very low117 Ų117131.2 Ų131.272%0.71876%0.76SS**  -171.9139.385.4-34.80000111.9
1131S27Very low27.2Very low98 Ų98129.6 Ų129.669%0.68576%0.76SS**  trans34.1140.2142.972.60000121.9
1132M26.2Very low27.2Very low166 Ų166127.3 Ų127.382%0.81876%0.762SS**  cis-151.5171.319.6-66.7-17479.300112.5
1133S28.3Very low27Very low98 Ų98127.4 Ų127.469%0.68576%0.762SS**  trans54113.7150.947.10000119.8
1134S26.7Very low26.9Very low105 Ų105126.4 Ų126.473%0.73476%0.756SS**  66.8128.266.976.20000114.7
1135S24.7Very low26.8Very low87 Ų87125.2 Ų125.261%0.60875%0.75SS**  cis-167.3168.5-1.9-82.70000110.3
1136F26.7Very low26.8Very low197 Ų197122.1 Ų122.186%0.86474%0.739SS**  trans68.6161.6167.5-46.7-68.2000116.3
1137S24.8Very low26.9Very low100 Ų100122.3 Ų122.370%0.69974%0.736SS**  cis-167.2156.3-32.1-94.70000110.6
1138S23.9Very low27.1Very low110 Ų110123 Ų12377%0.76973%0.731SS**  trans63.3100147.3-175.60000121.8
1139A23.6Very low27.1Very low83 Ų83120.5 Ų120.569%0.68672%0.724SS**  71.6158.6126.200000122.6
1140N25.8Very low27.4Very low153 Ų153118.4 Ų118.482%0.81872%0.722SS**  trans65.7153.7168.5-69.8-14.4000117.6
1141C23.1Very low27.4Very low106 Ų106118.9 Ų118.972%0.71673%0.725SS**  cis-177.5156.9-33.2-1090000106.2
1142A25.1Very low27.5Very low96 Ų96120.9 Ų120.979%0.79373%0.727SS**  trans64.4161.3168.300000116.5
1143S26.9Very low27.8Very low94 Ų94118.5 Ų118.566%0.65773%0.727SS**  cis-169.8166.8-27.5-93.20000108.8
1144N28.6Very low27.8Very low137 Ų137119.4 Ų119.473%0.73373%0.732SS**  trans68.5158.1160-58.6-20.8000115.9
1145N27.3Very low28.2Very low131 Ų131119.9 Ų119.970%0.70173%0.732SS**  cis-158.6-174-25.4-94.4-23.2000104.6
1146I32.1Very low28.4Very low133 Ų133121.7 Ų121.768%0.68274%0.74SS**  cis-167.2135.525-152.2145.4000110.1
1147T31.2Very low28.6Very low108 Ų108117.6 Ų117.666%0.66374%0.736SS**  trans59.2159.2150.360.70000121.1
1148N31Very low29.1Very low121 Ų121118.4 Ų118.465%0.64774%0.739SS**  cis-163153.8-14.1-106.7-9.1000110.4
1149N30.4Very low29.6Very low141 Ų141119.1 Ų119.175%0.75474%0.741SS**  trans47.4146.4141.8-54.6-15.9000120.9
1150S32.1Very low29.9Very low105 Ų105119.8 Ų119.873%0.73474%0.74SS**  cis-175.5-177.1-10.657.70000107.2
1151V30.2Very low30Very low127 Ų127119.4 Ų119.477%0.7774%0.743SS**  cis-155-160.39.482.40000110.7
1152L29.1Very low30.3Very low141 Ų141119.6 Ų119.674%0.73874%0.741SS**  trans-33.6145.9171.7-59.9159.2000116.6
1153S32.6Very low30.5Very low116 Ų116120.4 Ų120.481%0.81174%0.741SS**  -156.5169.351.3-59.40000114.8
1154C27.2Very low30.5Very low117 Ų117122.9 Ų122.979%0.79175%0.747SS**  trans-97.8-173.3-171.7-42.60000113.4
1155P36.2Very low30.7Very low114 Ų114121.6 Ų121.674%0.7475%0.746SS**  cis-136-171.9-9.232.2-9.7000115.5
1156T28Very low31.1Very low125 Ų125121.4 Ų121.477%0.76775%0.75SS**  trans106.286147.7-37.50000119.2
1157S31.3Very low31.3Very low111 Ų111119.7 Ų119.778%0.77674%0.741SS**  177.4138.1122.438.40000111.7
1158P35Very low31.3Very low118 Ų118119.6 Ų119.677%0.76674%0.742SS**  trans-86.6144.9171.733.9-32.6000111.6S1160P1158-S1160 PolarHBondContact O-N 3.21Å
1159P35.2Very low31.7Very low125 Ų125116 Ų11681%0.81273%0.726SS**  trans-70.6124.9175.329-33.5000111T1161P1159-T1161 PolarHBondContact O-N 3.43Å
1160S29.1Very low32Very low96 Ų96116.8 Ų116.867%0.67172%0.718SS**  trans-79.6105.8-177.456.70000112.1P1158 T1162P1158-S1160 PolarHBondContact O-N 3.21Å; S1160-T1162 PolarHBondContact O-N 2.96Å
1161T28.1Very low32.5Very low145 Ų145117.9 Ų117.989%0.8971%0.706SS**  trans-75.269.6167.254.50000110.8P1159 S1163P1159-T1161 PolarHBondContact O-N 3.43Å; T1161-S1163 PolarHBondContact O-N 3.01Å
1162T29.5Very low33Very low110 Ų110112.7 Ų112.768%0.67568%0.676SS**  trans-84.3108.7173.745.40000110.4S1160 D1164S1160-T1162 PolarHBondContact O-N 2.96Å; T1162-D1164 PolarHBondContact O-N 3.43Å
1163S29.1Very low33.7Very low113 Ų113109.1 Ų109.179%0.7966%0.66SS**  trans-62.3121.3162.854.60000109.9T1161T1161-S1163 PolarHBondContact O-N 3.01Å
1164D27.8Very low34.3Very low147 Ų147106.1 Ų106.179%0.78664%0.636SS**  trans-59.9133176.2-93.1-51.3000111.4T1162 V1166T1162-D1164 PolarHBondContact O-N 3.43Å; D1164-V1166 PolarHBondContact O-N 3.29Å; D1164-V1166 VanDerWaalsContact O-N 3.13Å
1165P32.3Very low35Very low109 Ų109105.2 Ų105.271%0.70862%0.619SS**  trans-71.711017629-32.6000109.6L1167P1165-L1167 PolarHBondContact O-N 2.96Å
1166V36.8Very low35.4Very low127 Ų127101.5 Ų101.577%0.7759%0.594SS**PPolyproline II helixtrans-49.4116.1171.9177.50000109.2D1164D1164-V1166 PolarHBondContact O-N 3.29Å; D1164-V1166 VanDerWaalsContact O-N 3.13Å
1167L34.5Very low36Very low98 Ų9899 Ų9951%0.51358%0.575SS.*PPolyproline II helixtrans-56.4127.6-178.8-79.3168.5000109.7P1114 P1165P1114-L1167 HydrophobicContact CG-CD1 4.49Å; P1165-L1167 PolarHBondContact O-N 2.96Å
1168P32.8Very low36.4Very low105 Ų10594.2 Ų94.268%0.68254%0.542SS*.PPolyproline II helixtrans-62.5142.2-179.225.7-34000109.9R1170P1168-R1170 PolarHBondContact O-N 3.29Å
1169P37.7Very low36.3Very low45 Ų4592.8 Ų92.829%0.29253%0.533SS..PPolyproline II helixtrans-57.2142.2-179.122.7-32.7000111.1W1111 S1112 I1113 R1171W1111-P1169 HydrophobicContact CB-CB 4.31Å; W1111-P1169 HydrophobicContact CE3-CB 4.03Å; W1111-P1169 HydrophobicContact CE3-CG 3.84Å; W1111-P1169 HydrophobicContact CZ3-CG 4.36Å; W1111-P1169 WeakPolarHBondContact CZ3-O 3.43Å; S1112-P1169 CarbonylContact O-C 3.51Å; S1112-P1169 WeakPolarHBondContact O-CA 3.4Å; S1112-P1169 WeakPolarHBondContact O-CB 3.44Å; I1113-P1169 HydrophobicContact CG1-CB 4.01Å; P1169-R1171 PolarHBondContact O-N 3.18Å
1170R37.3Very low36.5Very low158 Ų15888 Ų8860%0.59651%0.505SS*.EExtended strand (participates in β ladder)trans-84.496.5-174.2-172.7-178.4-178.9-165.6-0.6109.9S1112 P1168 S1172S1112-R1170 PolarHBondContact O-N 3.4Å; P1168-R1170 PolarHBondContact O-N 3.29Å; R1170-S1172 PolarHBondContact O-N 2.86Å; R1170-S1172 VanDerWaalsContact O-N 3.16Å; R1170-S1172 PolarHBondContact O-OG 3.29Å; R1170-S1172 VanDerWaalsContact O-OG 3.09Å
1171R43Very low37Very low129 Ų12983.6 Ų83.649%0.48747%0.474SS..EExtended strand (participates in β ladder)trans-54.1122.7167.8-177.8170.8170.4-97.713109.4E1109 Y1110 W1111 P1169E1109-R1171 IonicContact OE1-CZ 3.44Å; E1109-R1171 IonicContact OE1-NH2 3.21Å; E1109-R1171 PolarHBondContact OE1-NH2 2.65Å; E1109-R1171 IonicContact OE2-CZ 2.82Å; E1109-R1171 IonicContact OE2-NE 2.69Å; E1109-R1171 PolarHBondContact OE2-NE 3.49Å; E1109-R1171 IonicContact OE2-NH2 3.2Å; E1109-R1171 PolarHBondContact OE2-NH2 2.98Å; Y1110-R1171 WeakPolarHBondContact O-CA 3.36Å; W1111-R1171 HydrophobicContact CD2-CB 3.83Å; W1111-R1171 HydrophobicContact CD2-CG 4.38Å; W1111-R1171 HydrophobicContact CE3-CB 3.75Å; W1111-R1171 HydrophobicContact CH2-CB 3.78Å; W1111-R1171 HydrophobicContact CH2-CG 4.46Å; W1111-R1171 HydrophobicContact CZ2-CB 3.82Å; W1111-R1171 HydrophobicContact CZ2-CG 4.04Å; W1111-R1171 HydrophobicContact CZ3-CB 3.73Å; P1169-R1171 PolarHBondContact O-N 3.18Å
1172S41.5Very low37.5Very low18 Ų1879.7 Ų79.713%0.12645%0.45CS..EExtended strand (participates in β ladder)trans-125.5151.9-179.9-59.80000109.1E1109 Y1110 R1170E1109-S1172 WeakPolarHBondContact CA-O 3.48Å; Y1110-S1172 VanDerWaalsContact CE2-CB 3.49Å; Y1110-S1172 PolarHBondContact N-O 3.07Å; Y1110-S1172 VanDerWaalsContact N-O 3.16Å; Y1110-S1172 PolarHBondContact O-N 3.21Å; Y1110-S1172 VanDerWaalsContact OH-CB 3.31Å; Y1110-S1172 WeakPolarHBondContact OH-CB 3.32Å; R1170-S1172 PolarHBondContact O-N 2.86Å; R1170-S1172 VanDerWaalsContact O-N 3.16Å; R1170-S1172 PolarHBondContact O-OG 3.29Å; R1170-S1172 VanDerWaalsContact O-OG 3.09Å
1173T42.3Very low38Very low66 Ų6674.6 Ų74.641%0.40542%0.419SS..EExtended strand (participates in β ladder)trans-139.8121.3-172.8-56.10000109.3Q1107 I1108 E1109Q1107-T1173 HydrophobicContact CG-CG2 3.55Å; I1108-T1173 WeakPolarHBondContact O-CA 3.45Å; E1109-T1173 HydrophobicContact CG-CG2 4.08Å
1174V44.9Very low38.4Very low52 Ų5270.5 Ų70.532%0.31539%0.389SS..EExtended strand (participates in β ladder)trans-111.4146.5176.6168.50000108.4I1108 Y1110 W1364I1108-V1174 PolarHBondContact N-O 2.77Å; I1108-V1174 PolarHBondContact O-N 2.9Å; Y1110-V1174 HydrophobicContact CE1-CG2 4.02Å; V1174-W1364 HydrophobicContact CG2-CH2 4.44Å
1175K42.4Very low39.1Very low99 Ų9964.7 Ų64.743%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-120.7128.8169.6-74.2-170.9157.2-123.50109.2D1105 I1106 Q1107D1105-K1175 IonicContact OD1-NZ 3.95Å; D1105-K1175 IonicContact OD2-NZ 2.87Å; D1105-K1175 PolarHBondContact OD2-NZ 3.09Å; I1106-K1175 WeakPolarHBondContact O-CA 3.44Å; Q1107-K1175 HydrophobicContact CB-CG 4.44Å; Q1107-K1175 HydrophobicContact CG-CG 4.4Å; Q1107-K1175 VanDerWaalsContact OE1-CE 3.25Å
1176T44.3Very low39.2Very low35 Ų3561.4 Ų61.422%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-126.5155.4174.2-173.40000110I1106 I1108I1106-T1176 HydrophobicContact CB-CG2 3.97Å; I1106-T1176 HydrophobicContact CD1-CG2 4.42Å; I1106-T1176 HydrophobicContact CG2-CG2 4.41Å; I1106-T1176 PolarHBondContact N-O 2.92Å; I1106-T1176 PolarHBondContact O-N 3.43Å; I1108-T1176 HydrophobicContact CD1-CG2 4.41Å
1177I41Very low39.2Very low73 Ų7357.9 Ų57.937%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-121.8101.4173.3-63.3-175.6000107.7K10 L1103 W1104 D1105K10-I1177 HydrophobicContact CD-CD1 3.7Å; L1103-I1177 HydrophobicContact CB-CG2 3.69Å; L1103-I1177 HydrophobicContact CD1-CG2 4.17Å; L1103-I1177 HydrophobicContact CG-CG2 4.39Å; W1104-I1177 WeakPolarHBondContact O-CA 3.23Å; D1105-I1177 HydrophobicContact CB-CG1 4.47Å
1178S38.9Very low39Very low11 Ų1155.9 Ų55.98%0.07731%0.31CS..EExtended strand (participates in β ladder)trans-132.7159.8-174.671.80000111.8W1104 I1106 G1180W1104-S1178 PolarHBondContact N-O 2.97Å; W1104-S1178 PolarHBondContact O-N 3.46Å; I1106-S1178 WeakPolarHBondContact CD1-OG 3.28Å; S1178-G1180 VanDerWaalsContact C-N 3.3Å; S1178-G1180 VanDerWaalsContact CB-O 3.31Å; S1178-G1180 WeakPolarHBondContact CB-O 3.32Å; S1178-G1180 PolarHBondContact OG-O 3.05Å
1179P33.5Very low38.8Very low88 Ų8854.5 Ų54.557%0.57130%0.303SS*.SBendtrans-77.7-13.8172.531.2-34.8000113.4L1103 W1104L1103-P1179 HydrophobicContact CD2-CB 4.42Å; W1104-P1179 PolarHBondContact NE1-O 3.17Å
1180G38.8Very low38.3Very low23 Ų2358.8 Ų58.824%0.23732%0.323CS..SBendtrans-172.9175178.300000110.5S1178S1178-G1180 VanDerWaalsContact C-N 3.3Å; S1178-G1180 VanDerWaalsContact CB-O 3.31Å; S1178-G1180 WeakPolarHBondContact CB-O 3.32Å; S1178-G1180 PolarHBondContact OG-O 3.05Å
1181L41.5Very low37.8Very low4 Ų457.4 Ų57.42%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-128.7128-177.5-17173.4000111.4I1108 V1183 I1359 I1372 F1383 V1386I1108-L1181 HydrophobicContact CD1-CD1 4.31Å; L1181-V1183 HydrophobicContact CD2-CG2 3.77Å; L1181-V1183 HydrophobicContact CG-CG2 3.86Å; L1181-I1359 HydrophobicContact CD1-CG2 4.07Å; L1181-I1372 HydrophobicContact CD2-CD1 3.72Å; L1181-I1372 HydrophobicContact CD2-CG1 4.36Å; L1181-F1383 HydrophobicContact CB-CE1 4.29Å; L1181-F1383 HydrophobicContact CB-CZ 3.91Å; L1181-F1383 HydrophobicContact CD2-CZ 4.45Å; L1181-V1386 PolarHBondContact O-N 2.88Å
1182V38.7Very low37Very low63 Ų6357.2 Ų57.238%0.38235%0.345SS..EExtended strand (participates in β ladder)trans-102131.8172.1-173.80000108.6V1386V1182-V1386 HydrophobicContact CG1-CB 4.36Å; V1182-V1386 HydrophobicContact CG2-CB 4.34Å
1183V40Very low36.3Very low3 Ų359.5 Ų59.52%0.01837%0.372CS..EExtended strand (participates in β ladder)trans-135.9107.7-179.1-172.90000109.9L1181 I1185 V1357 W1358 F1370 V1385 V1386 L1387L1181-V1183 HydrophobicContact CD2-CG2 3.77Å; L1181-V1183 HydrophobicContact CG-CG2 3.86Å; V1183-I1185 HydrophobicContact CG1-CG1 4.06Å; V1183-V1357 HydrophobicContact CG1-CG1 3.64Å; V1183-W1358 WeakPolarHBondContact CA-O 3.39Å; V1183-F1370 HydrophobicContact CG1-CE1 4.09Å; V1183-F1370 HydrophobicContact CG1-CZ 4.14Å; V1183-F1370 HydrophobicContact CG2-CZ 4.21Å; V1183-V1385 HydrophobicContact CG2-CG1 4.49Å; V1183-V1386 PolarHBondContact N-O 3.41Å; V1183-L1387 HydrophobicContact CB-CD2 4Å; V1183-L1387 WeakPolarHBondContact O-CD2 3.22Å
1184T37.4Very low35.5Very low28 Ų2862.2 Ų62.217%0.17239%0.394CS..EExtended strand (participates in β ladder)trans-98123172.6-48.80000108.8V1357 W1358 L1388T1184-V1357 CarbonylContact O-C 3.38Å; T1184-V1357 WeakPolarHBondContact O-CA 3.4Å; T1184-W1358 PolarHBondContact N-O 3.45Å; T1184-W1358 PolarHBondContact O-N 3.29Å; T1184-L1388 HydrophobicContact CG2-CB 4.22Å
1185I40.7Very low34.6Very low25 Ų2565.9 Ų65.913%0.12842%0.416CS..EExtended strand (participates in β ladder)trans-110.1124.2177.8-53.2178000108.1V1183 L1332 L1334 V1357V1183-I1185 HydrophobicContact CG1-CG1 4.06Å; I1185-L1332 HydrophobicContact CD1-CD1 4.21Å; I1185-L1334 HydrophobicContact CG2-CD1 4.33Å; I1185-V1357 HydrophobicContact CG1-CG2 4.41Å
1186D35.8Very low33.7Very low39 Ų3969 Ų6921%0.20944%0.436CS..EExtended strand (participates in β ladder)trans-118.9151.5175-179.744.2000111.1R1356D1186-R1356 HydrophobicContact CB-CB 4.44Å; D1186-R1356 PolarHBondContact N-O 3.19Å; D1186-R1356 PolarHBondContact O-N 2.95Å; D1186-R1356 IonicContact OD2-CZ 3.32Å; D1186-R1356 VanDerWaalsContact OD2-CZ 3.32Å; D1186-R1356 IonicContact OD2-NE 3.24Å; D1186-R1356 PolarHBondContact OD2-NE 3.43Å; D1186-R1356 IonicContact OD2-NH2 2.67Å; D1186-R1356 PolarHBondContact OD2-NH2 3.29Å
1187S35.8Very low32.9Very low54 Ų5472.9 Ų72.938%0.37847%0.465SS..  trans-139.481.9-175.6-72.50000110.9S1189S1187-S1189 PolarHBondContact O-N 3.07Å; S1187-S1189 VanDerWaalsContact O-N 3.14Å
1188S29.8Very low32.2Very low55 Ų5574.6 Ų74.639%0.38548%0.483SS..  trans-70100.1173.8520000111.6N1190S1188-N1190 PolarHBondContact O-N 3.16Å
1189S30Very low31.8Very low77 Ų7779.1 Ų79.154%0.53851%0.512SS..  trans-84.583.5169.856.80000111.2S1187 T1191S1187-S1189 PolarHBondContact O-N 3.07Å; S1187-S1189 VanDerWaalsContact O-N 3.14Å; S1189-T1191 PolarHBondContact O-N 3.34Å; S1189-T1191 PolarHBondContact O-OG1 2.83Å
1190N26Very low31.5Very low135 Ų13581.7 Ų81.772%0.72252%0.517SS*.  trans-65.791.8173.4-83.57.7000110.9S1188 T1192S1188-N1190 PolarHBondContact O-N 3.16Å; N1190-T1192 PolarHBondContact O-N 3.27Å
1191T27.4Very low31Very low129 Ų12990.3 Ų90.379%0.79154%0.542SS*.  trans-90.958.2174.2-44.30000109.7S1189 G1193S1189-T1191 PolarHBondContact O-N 3.34Å; S1189-T1191 PolarHBondContact O-OG1 2.83Å; T1191-G1193 PolarHBondContact O-N 2.87Å
1192T26.1Very low30.2Very low124 Ų12497.4 Ų97.476%0.76158%0.58SS**  trans-7874.9177.651.90000110.3N1190N1190-T1192 PolarHBondContact O-N 3.27Å
1193G26.9Very low29.5Very low66 Ų6699.8 Ų99.868%0.6859%0.594SS**PPolyproline II helixtrans-64129.3166.700000110.1T1191T1191-G1193 PolarHBondContact O-N 2.87Å
1194S26.5Very low28.7Very low123 Ų123106.2 Ų106.286%0.8663%0.629SS**PPolyproline II helixtrans-69.5140.6-176-165.40000112.1
1195V24.1Very low28.2Very low130 Ų130113 Ų11379%0.78866%0.662SS**PPolyproline II helixtrans-75.5132.4174.7177.10000109.9
1196L24.2Very low27.3Very low164 Ų164120.8 Ų120.886%0.85970%0.696SS**  trans-165.988155-114.4168.4000112.9
1197S26.8Very low26.7Very low117 Ų117124.5 Ų124.582%0.81872%0.715SS**  trans173.4128.4136.639.80000111.6
1198S26.9Very low26.2Very low108 Ų108132.3 Ų132.376%0.75574%0.738SS**  trans-124156.8157.6-176.20000106.1
1199P31.3Very low25.8Very low106 Ų106132.7 Ų132.769%0.68875%0.75SS**  -150158.910537.7-21.6000117.2
1200H27.2Very low25.8Very low143 Ų143136.3 Ų136.366%0.66276%0.761SS**  trans93.4115.8135.8-85.55.6000123.3
1201R28.9Very low25.6Very low203 Ų203138 Ų13877%0.76676%0.764SS**  81.493.7129.3-65177.2-172-136.83.8121.1
1202N23.3Very low25.6Very low153 Ų153135.9 Ų135.982%0.81876%0.755SS**  43133.6108.4-76.533.3000123
1203V25.1Very low25.6Very low113 Ų113138.7 Ų138.769%0.68576%0.759SS**  trans87.5104.4138.1171.40000119.4
1204D22Very low25.6Very low139 Ų139140.3 Ų140.374%0.74376%0.76SS**  trans44.2132.5130.8-42.1-22.8000123
1205I27.1Very low25.6Very low171 Ų171142.2 Ų142.288%0.87776%0.76SS**  178.3161.5120.3-91158.7000111
1206F21.5Very low25.7Very low188 Ų188141.6 Ų141.683%0.82576%0.762SS**  trans-107.9153.6-166.7-91.7-98.4000116.4
1207N23Very low25.6Very low117 Ų117141.2 Ų141.263%0.62676%0.76SS**  trans89.5147135.8-99.3-7.1000125.8
1208Y26Very low25.5Very low218 Ų218141.8 Ų141.886%0.85576%0.758SS**  trans63.8144.7165.6-57.5-64.2000119.2
1209G22.8Very low25.3Very low62 Ų62147 Ų14764%0.63976%0.763SS**  cis166.2151.5-9.800000113.7
1210M28.5Very low24.9Very low154 Ų154146.6 Ų146.676%0.75976%0.762SS**  trans69.8117.1178.6-53.2-79.481.100115.6
1211E22.1Very low25.3Very low171 Ų171145.4 Ų145.480%0.79977%0.767SS**  75.2131.774.2-76.3-177-153.400114
1212S27.2Very low24.9Very low84 Ų84142.6 Ų142.659%0.58777%0.767SS**  cis-159.9171.221.251.60000114.2
1213H25.6Very low24.9Very low182 Ų182145 Ų14584%0.84377%0.765SS**  trans57.8124.6165.6-50-61.4000118.4
1214S28.4Very low24.8Very low100 Ų100147.2 Ų147.270%0.69977%0.768SS**  cis-168.6154.132.346.90000112.3
1215N26Very low24.8Very low164 Ų164144.4 Ų144.488%0.87776%0.764SS**  trans54.9121.3169.1-55.8-17.1000117.6
1216S25.3Very low24.6Very low117 Ų117145.2 Ų145.282%0.81876%0.764SS**  cis-148154.610.1-179.80000111.4
1217L23.3Very low24.6Very low155 Ų155141.1 Ų141.181%0.81276%0.757SS**  trans-80.2177167.7-55.799.1000110.2
1218V24.2Very low24.6Very low130 Ų130142.6 Ų142.679%0.78877%0.766SS**  cis-144.8156.914.2-169.40000109.4
1219Y23.5Very low24.4Very low217 Ų217139.6 Ų139.685%0.85176%0.763SS**  trans-127130.1170.2-128-84.1000112.3
1220S21.8Very low24.6Very low97 Ų97143.3 Ų143.368%0.67877%0.769SS**  trans64.1154.8171.1-70.10000118.4
1221P34.8Very low24.5Very low119 Ų119145 Ų14577%0.77378%0.775SS**  cis-136.7172.2-32.437.7-21.7000114.9
1222N21.8Very low24.6Very low143 Ų143142.9 Ų142.977%0.76577%0.773SS**  trans91127.6152.8-145.5-0.4000119.4
1223R22.4Very low24.6Very low203 Ų203146.7 Ų146.777%0.76678%0.782SS**  trans76.6139.4163-60.9-153.2175-155.51.3122.5
1224H23.4Very low24.7Very low160 Ų160143.9 Ų143.974%0.74178%0.777SS**  trans67.886.1157.9-66.1-60.7000121.4
1225A22.4Very low25.3Very low81 Ų81146 Ų14667%0.66978%0.776SS**  84.7133.7117.600000120.8
1226Q22.7Very low25.6Very low187 Ų187144.1 Ų144.187%0.87476%0.762SS**  trans65.9137.9164.7-62.1176.1-4000116
1227C21.5Very low25.9Very low102 Ų102143.3 Ų143.369%0.68975%0.748SS**  cis-156.7157.3-5.5-1190000111.1
1228N22.1Very low26.5Very low149 Ų149138.5 Ų138.580%0.79773%0.731SS**  trans34.5119157.1-67-26.9000120.9
1229L23.4Very low27Very low154 Ų154135.2 Ų135.281%0.80671%0.708SS**  -154.7131.6115.9-142.262.6000114.1
1230N26.9Very low27.4Very low141 Ų141127.3 Ų127.375%0.75469%0.693SS**  trans4777.7155.5-61-5.3000120.1
1231Q24.8Very low27.9Very low189 Ų189126.2 Ų126.288%0.88368%0.679SS**  trans-135.274157.8-163.7173.652.200111.3H1233Q1231-H1233 PolarHBondContact O-N 2.91Å
1232T25.9Very low27.9Very low126 Ų126129.6 Ų129.677%0.77368%0.676SS**  trans-84.772.8-17153.40000113.4
1233H25.9Very low28.6Very low165 Ų165125.7 Ų125.776%0.76466%0.658SS**  trans-101.867.4174-134.3-83.5000111.3Q1231 Q1235Q1231-H1233 PolarHBondContact O-N 2.91Å; H1233-Q1235 PolarHBondContact O-N 2.78Å
1234T27.7Very low29.4Very low122 Ų122123.7 Ų123.775%0.74866%0.655SS**  trans-82.1107.7-170.852.80000113
1235Q41Very low30.1Very low144 Ų144123.2 Ų123.267%0.67365%0.653SS**  trans-108.897.6174.6-70.3-172.2-9.500112.1H1233 Q1271H1233-Q1235 PolarHBondContact O-N 2.78Å; Q1235-Q1271 PolarHBondContact O-NE2 3.09Å
1236H32.8Very low30.8Very low126 Ų126128.7 Ų128.758%0.58366%0.661SS**  trans-146.4134.5170.6-63.6-83.7000112.8G1269 I1270 Q1271H1236-G1269 PolarHBondContact ND1-O 3Å; H1236-I1270 CarbonylContact C-O 3.55Å; H1236-I1270 WeakPolarHBondContact CA-O 3.5Å; H1236-Q1271 PolarHBondContact CE1-NE2 3.31Å
1237L32.1Very low31.5Very low100 Ų100127.1 Ų127.152%0.52465%0.652SS.*EExtended strand (participates in β ladder)trans-85.5174.7162.6-82.8158.2000110.3G1269 I1270L1237-G1269 CarbonylContact O-C 3.6Å; L1237-G1269 PolarHBondContact O-N 2.93Å; L1237-I1270 HydrophobicContact CB-CB 3.8Å; L1237-I1270 HydrophobicContact CB-CD1 4.18Å; L1237-I1270 HydrophobicContact CB-CG1 4.3Å; L1237-I1270 WeakPolarHBondContact CB-O 3.46Å; L1237-I1270 PolarHBondContact N-O 3.27Å; L1237-I1270 PolarHBondContact O-N 3.48Å
1238A35Very low32.1Very low54 Ų54130.9 Ų130.945%0.44666%0.659SS.*EExtended strand (participates in β ladder)trans-140.6141179.700000113.4I1267 T1268 I1270A1238-I1267 CarbonylContact C-O 3.51Å; A1238-I1267 VanDerWaalsContact CA-O 3.27Å; A1238-I1267 WeakPolarHBondContact CA-O 3.41Å; A1238-T1268 HydrophobicContact CB-CG2 3.98Å; A1238-I1270 VanDerWaalsContact C-CD1 3.43Å
1239L34.1Very low32.8Very low60 Ų60131.1 Ų131.131%0.31465%0.653SS.*EExtended strand (participates in β ladder)trans-112.2111.9-179.5-160.864.5000111.4I1267 I1270 L1273L1239-I1267 HydrophobicContact CB-CB 4.16Å; L1239-I1267 PolarHBondContact N-O 2.9Å; L1239-I1267 PolarHBondContact O-N 3.33Å; L1239-I1270 HydrophobicContact CB-CD1 3.62Å; L1239-I1270 HydrophobicContact CB-CG1 3.99Å; L1239-I1270 HydrophobicContact CD1-CD1 4.13Å; L1239-I1270 HydrophobicContact CG-CD1 4.4Å; L1239-L1273 HydrophobicContact CD1-CD1 4.2Å; L1239-L1273 HydrophobicContact CD1-CD2 4.01Å
1240G33.7Very low33.6Very low51 Ų51130.4 Ų130.453%0.52665%0.649SS.*EExtended strand (participates in β ladder)trans-87.8104.4168.200000111
1241L31.1Very low33.8Very low74 Ų74130.8 Ų130.839%0.38765%0.648SS.*EExtended strand (participates in β ladder)trans-94.8123.8178.7-168.673.6000110.6T1243 Y1264 E1265L1241-T1243 HydrophobicContact CD2-CG2 3.83Å; L1241-T1243 HydrophobicContact CG-CG2 4Å; L1241-Y1264 WeakPolarHBondContact O-CA 3.33Å; L1241-E1265 HydrophobicContact CB-CB 4.47Å; L1241-E1265 PolarHBondContact N-O 2.95Å; L1241-E1265 PolarHBondContact O-N 3.25Å
1242W34.5Very low34.5Very low191 Ų191128.7 Ų128.772%0.72364%0.642SS**EExtended strand (participates in β ladder)trans-113.9109.6167.6-92.578.8000109.6Y1264W1242-Y1264 AromaticContact CD1-CD2 3.42Å; W1242-Y1264 VanDerWaalsContact CD1-CD2 3.42Å; W1242-Y1264 AromaticContact CD1-CE2 4Å; W1242-Y1264 AromaticContact CE2-CD2 3.97Å; W1242-Y1264 HydrophobicContact CG-CD2 4.3Å; W1242-Y1264 AromaticContact NE1-CD2 3.16Å; W1242-Y1264 AromaticContact NE1-CE2 3.7Å; W1242-Y1264 AromaticContact NE1-CG 3.78Å
1243T37.8Very low35Very low61 Ų61128.9 Ų128.937%0.37464%0.637SS.*  trans-95.8131.3177.157.40000111.6L1241 C1262 R1263L1241-T1243 HydrophobicContact CD2-CG2 3.83Å; L1241-T1243 HydrophobicContact CG-CG2 4Å; T1243-C1262 WeakPolarHBondContact O-CA 3.41Å; T1243-R1263 PolarHBondContact N-O 2.92Å; T1243-R1263 PolarHBondContact OG1-O 3.29Å
1244K37.7Very low35.6Very low161 Ų161124.4 Ų124.470%0.764%0.636SS**  trans-139.395.1173.3-172.7161.8-169163.90110.2K1246K1244-K1246 PolarHBondContact O-N 3.26Å
1245E39.2Very low35.7Very low149 Ų149130.4 Ų130.470%0.69664%0.644SS**  trans-61126.3174.9-165.3-165.8-159.800109.7K1247E1245-K1247 HydrophobicContact CG-CG 4.44Å; E1245-K1247 WeakPolarHBondContact OE1-CE 3.47Å; E1245-K1247 WeakPolarHBondContact OE2-CE 3.29Å; E1245-K1247 IonicContact OE2-NZ 3.83Å
1246K36.6Very low35.1Very low196 Ų196134 Ų13485%0.85266%0.658SS**  trans-12083178.3-165.5178.6-175.2-1790109.8K1244K1244-K1246 PolarHBondContact O-N 3.26Å
1247K38.4Very low35.1Very low154 Ų154131.4 Ų131.467%0.6767%0.665SS**  trans-55.4144.6172.9-66.6-171.1-178.2-179.10110.5E1245 K1249E1245-K1247 HydrophobicContact CG-CG 4.44Å; E1245-K1247 WeakPolarHBondContact OE1-CE 3.47Å; E1245-K1247 WeakPolarHBondContact OE2-CE 3.29Å; E1245-K1247 IonicContact OE2-NZ 3.83Å; K1247-K1249 PolarHBondContact O-N 2.79Å
1248Q34.3Very low35.1Very low181 Ų181136.7 Ų136.785%0.84668%0.684SS**  trans-64.497-169.8-176.3174.5-5.400111.4I1250Q1248-I1250 PolarHBondContact O-N 3.17Å; Q1248-I1250 VanDerWaalsContact O-N 3.07Å
1249K36.2Very low35.1Very low154 Ų154142.6 Ų142.667%0.6770%0.702SS**  trans-81.788.2-178.7-169.6177.5-178.8-179.50111.3K1247K1247-K1249 PolarHBondContact O-N 2.79Å
1250I40.2Very low35.2Very low139 Ų139146.8 Ų146.871%0.71373%0.725SS**  trans-62137.5147-51.9177.9000106.6Q1248Q1248-I1250 PolarHBondContact O-N 3.17Å; Q1248-I1250 VanDerWaalsContact O-N 3.07Å
1251M30.2Very low35.2Very low149 Ų149149.8 Ų149.873%0.73473%0.728SS**SBendtrans-69.7139.3171.3-75.9158.547.900108.8
1252L39.4Very low35.4Very low146 Ų146148.6 Ų148.676%0.76473%0.726SS**  cis-141.9-167.745.1-152.361.7000112.9
1253I37.8Very low35.4Very low129 Ų129147.6 Ų147.666%0.66272%0.722SS**  trans-97138.6-169.5-72.967.9000111.2
1254G36.8Very low35.2Very low72 Ų72150.9 Ų150.974%0.74273%0.728SS**  trans-152.112.3-172.500000120.3
1255R30.6Very low35.1Very low247 Ų247148.5 Ų148.593%0.93272%0.72SS**  trans68.2148.8174.8-74.4-176.3167.4177.8-3.2120.1
1256K29.4Very low34.9Very low220 Ų220146.2 Ų146.296%0.95771%0.712SS**  trans59.8113165.1-108.6-175.5178.1-175.60119.9
1257G32.3Very low34.9Very low72 Ų72140.5 Ų140.574%0.74269%0.69SS**  trans119.768.7141.500000119.6
1258K32.6Very low34.8Very low211 Ų211138.3 Ų138.392%0.91769%0.689SS**  173.7160.8126.9-93.9163.4-176.8-178.30111.7
1259E33.4Very low34.9Very low177 Ų177131.2 Ų131.283%0.82767%0.665SS**  trans-78.2155.1-164.8-63.9149.415900114N1261E1259-N1261 PolarHBondContact O-N 3.39Å
1260L36.5Very low34.9Very low149 Ų149125.4 Ų125.478%0.7864%0.641SS**  trans-91.481.7169.1-70.4173.7000109.7C1262L1260-C1262 PolarHBondContact O-N 3.19Å
1261N34.3Very low34.4Very low113 Ų113125 Ų12560%0.60464%0.636SS**  trans-79.582.9177.8-156.6-35000110.6E1259E1259-N1261 PolarHBondContact O-N 3.39Å
1262C34.9Very low34.3Very low50 Ų50122.4 Ų122.434%0.33862%0.618SS.*  trans-83.8115.1169.1-80.20000109.5T1243 L1260T1243-C1262 WeakPolarHBondContact O-CA 3.41Å; L1260-C1262 PolarHBondContact O-N 3.19Å
1263R34.5Very low34.1Very low169 Ų169119.2 Ų119.264%0.63860%0.601SS**  trans-96.3128.5173.6-67.2-172.4177.9-168.9-1.6110.8T1243T1243-R1263 PolarHBondContact N-O 2.92Å; T1243-R1263 PolarHBondContact OG1-O 3.29Å
1264Y33.9Very low33.6Very low130 Ų130115 Ų11551%0.5158%0.58SS.*EExtended strand (participates in β ladder)trans-97.1136.6161.9169.9-124000108.5L1241 W1242L1241-Y1264 WeakPolarHBondContact O-CA 3.33Å; W1242-Y1264 AromaticContact CD1-CD2 3.42Å; W1242-Y1264 VanDerWaalsContact CD1-CD2 3.42Å; W1242-Y1264 AromaticContact CD1-CE2 4Å; W1242-Y1264 AromaticContact CE2-CD2 3.97Å; W1242-Y1264 HydrophobicContact CG-CD2 4.3Å; W1242-Y1264 AromaticContact NE1-CD2 3.16Å; W1242-Y1264 AromaticContact NE1-CE2 3.7Å; W1242-Y1264 AromaticContact NE1-CG 3.78Å
1265E36.1Very low33.3Very low112 Ų112115.9 Ų115.952%0.52357%0.574SS.*EExtended strand (participates in β ladder)trans-142.5133.1177.4-167.1166.3-178.900109.3L1241 I1267L1241-E1265 HydrophobicContact CB-CB 4.47Å; L1241-E1265 PolarHBondContact N-O 2.95Å; L1241-E1265 PolarHBondContact O-N 3.25Å; E1265-I1267 HydrophobicContact CG-CG1 4.21Å
1266L33.9Very low33.1Very low100 Ų100105.8 Ų105.852%0.52454%0.54SS..EExtended strand (participates in β ladder)trans-115.2102.6-177.6179.563.8000109.6T1268L1266-T1268 HydrophobicContact CG-CG2 4.47Å; L1266-T1268 PolarHBondContact O-N 3.37Å
1267I38Very low33.1Very low76 Ų7698.2 Ų98.239%0.3952%0.524SS..EExtended strand (participates in β ladder)trans-98.379.3-175.6-47.8174000108.9A1238 L1239 E1265 G1269A1238-I1267 CarbonylContact C-O 3.51Å; A1238-I1267 VanDerWaalsContact CA-O 3.27Å; A1238-I1267 WeakPolarHBondContact CA-O 3.41Å; L1239-I1267 HydrophobicContact CB-CB 4.16Å; L1239-I1267 PolarHBondContact N-O 2.9Å; L1239-I1267 PolarHBondContact O-N 3.33Å; E1265-I1267 HydrophobicContact CG-CG1 4.21Å; I1267-G1269 PolarHBondContact O-N 2.74Å
1268T34.5Very low32.6Very low108 Ų108106.5 Ų106.566%0.66353%0.533SS*.EExtended strand (participates in β ladder)trans-66.2126164.649.20000109.3A1238 L1266A1238-T1268 HydrophobicContact CB-CG2 3.98Å; L1266-T1268 HydrophobicContact CG-CG2 4.47Å; L1266-T1268 PolarHBondContact O-N 3.37Å
1269G37.4Very low32.3Very low33 Ų33101.3 Ų101.334%0.3452%0.522SS..EExtended strand (participates in β ladder)trans136-8.3178.300000116.3H1236 L1237 I1267H1236-G1269 PolarHBondContact ND1-O 3Å; L1237-G1269 CarbonylContact O-C 3.6Å; L1237-G1269 PolarHBondContact O-N 2.93Å; I1267-G1269 PolarHBondContact O-N 2.74Å
1270I35.2Very low31.8Very low31 Ų3198 Ų9816%0.15952%0.517CS..EExtended strand (participates in β ladder)trans-52.5147.8176.1-31.9174000109.6H1236 L1237 A1238 L1239 R1272 L1273H1236-I1270 CarbonylContact C-O 3.55Å; H1236-I1270 WeakPolarHBondContact CA-O 3.5Å; L1237-I1270 HydrophobicContact CB-CB 3.8Å; L1237-I1270 HydrophobicContact CB-CD1 4.18Å; L1237-I1270 HydrophobicContact CB-CG1 4.3Å; L1237-I1270 WeakPolarHBondContact CB-O 3.46Å; L1237-I1270 PolarHBondContact N-O 3.27Å; L1237-I1270 PolarHBondContact O-N 3.48Å; A1238-I1270 VanDerWaalsContact C-CD1 3.43Å; L1239-I1270 HydrophobicContact CB-CD1 3.62Å; L1239-I1270 HydrophobicContact CB-CG1 3.99Å; L1239-I1270 HydrophobicContact CD1-CD1 4.13Å; L1239-I1270 HydrophobicContact CG-CD1 4.4Å; I1270-R1272 WeakPolarHBondContact CG2-O 3.33Å; I1270-L1273 HydrophobicContact CD1-CB 4.45Å; I1270-L1273 HydrophobicContact CD1-CD2 4.23Å
1271Q30.9Very low31.2Very low130 Ų13098 Ų9861%0.60752%0.517SS*.SBendtrans-117.2-14.4167.6-70.2179.7-30.500114.7Q1235 H1236Q1235-Q1271 PolarHBondContact O-NE2 3.09Å; H1236-Q1271 PolarHBondContact CE1-NE2 3.31Å
1272R28.5Very low30.7Very low96 Ų9699.5 Ų99.536%0.36253%0.525SS..  trans-146.2141.5169.7-61.7-176.7-178.4161.44.4111.4I1270 L1387 L1388 N1389I1270-R1272 WeakPolarHBondContact CG2-O 3.33Å; R1272-L1387 HydrophobicContact CB-CD1 4.29Å; R1272-L1388 PolarHBondContact NH1-O 2.77Å; R1272-N1389 PolarHBondContact NH2-OD1 2.92Å
1273L33.8Very low30.3Very low78 Ų78104.7 Ų104.741%0.40854%0.544SS..  trans-147.2146.3176-17767.7000110L1239 I1270 L1332L1239-L1273 HydrophobicContact CD1-CD1 4.2Å; L1239-L1273 HydrophobicContact CD1-CD2 4.01Å; I1270-L1273 HydrophobicContact CD1-CB 4.45Å; I1270-L1273 HydrophobicContact CD1-CD2 4.23Å; L1273-L1332 WeakPolarHBondContact O-CD2 3.3Å; L1273-L1332 WeakPolarHBondContact O-CG 3.43Å
1274L27.3Very low29.8Very low40 Ų40102.5 Ų102.521%0.20955%0.545CS..  trans-120.2133179.3-71139.1000111.1L1330 G1331 L1332L1274-L1330 HydrophobicContact CB-CB 3.76Å; L1274-L1330 WeakPolarHBondContact O-CD2 3.43Å; L1274-G1331 CarbonylContact C-O 3.57Å; L1274-G1331 WeakPolarHBondContact CA-O 3.42Å; L1274-L1332 HydrophobicContact CD2-CB 3.8Å; L1274-L1332 HydrophobicContact CD2-CD1 3.68Å; L1274-L1332 HydrophobicContact CD2-CG 3.61Å; L1274-L1332 HydrophobicContact CG-CD1 3.87Å; L1274-L1332 HydrophobicContact CG-CG 3.86Å
1275C32.2Very low29.5Very low91 Ų91102.2 Ų102.262%0.61556%0.557SS**  trans-145.6141.5171.7-83.30000112.6A1329 G1331C1275-A1329 CarbonylContact C-O 3.55Å; C1275-G1331 PolarHBondContact N-O 3.21Å; C1275-G1331 CarbonylContact O-C 3.52Å; C1275-G1331 WeakPolarHBondContact O-CA 3.41Å; C1275-G1331 PolarHBondContact O-N 3.42Å; C1275-G1331 VanDerWaalsContact O-N 3.17Å
1276T25.8Very low29.1Very low36 Ų36101.1 Ų101.122%0.22156%0.561CS.*BIsolated β-bridgetrans-145149.5-178.11290000111.6S1328 A1329 L1330 Q1371T1276-S1328 WeakPolarHBondContact O-CB 3.33Å; T1276-A1329 PolarHBondContact N-O 3.38Å; T1276-A1329 CarbonylContact O-C 3.44Å; T1276-A1329 PolarHBondContact O-N 3.46Å; T1276-A1329 VanDerWaalsContact O-O 3.1Å; T1276-L1330 VanDerWaalsContact CB-C 3.48Å; T1276-L1330 WeakPolarHBondContact CB-O 3.47Å; T1276-Q1371 HydrophobicContact CG2-CG 4.23Å
1277G28.5Very low28.9Very low60 Ų60101.8 Ų101.862%0.61957%0.574SS**  trans-156.8159.4178.500000114.8
1278R22.3Very low28.7Very low247 Ų247103.1 Ų103.193%0.93259%0.586SS**  trans-82.9141.9158.2-73.1178167.3130.7-4.8108.7
1279C25.6Very low28.3Very low102 Ų102106.4 Ų106.469%0.68960%0.6SS**  -166.3150109.7-130.80000113.9
1280C24.4Very low28Very low107 Ų107109 Ų10972%0.72361%0.613SS**  27.2126.2110.4-13.30000118.4
1281N22.5Very low27.8Very low148 Ų148113.4 Ų113.479%0.79164%0.641SS**  trans-74.9162.6171.6-74.7-8.4000113.7
1282L23.8Very low27.5Very low145 Ų145115.2 Ų115.276%0.75965%0.65SS**  trans69.8152162.1-94.345.7000115.7
1283H26.6Very low27.3Very low160 Ų160120.6 Ų120.674%0.74167%0.67SS**  cis-139.9150.315.5-130.4-69.8000114.7
1284N24.2Very low27.1Very low122 Ų122121.7 Ų121.765%0.65268%0.684SS**  trans-25.5148.1154.5-164.831.8000118.4
1285T28Very low27.2Very low125 Ų125127.3 Ų127.377%0.76771%0.707SS**  trans163.2120.7131.935.80000108.4
1286S27.4Very low27.3Very low88 Ų88131 Ų13162%0.61572%0.72SS**  cis94.5115.832.876.70000114.6
1287S30.7Very low27.5Very low114 Ų114134.3 Ų134.380%0.79774%0.741SS**  trans-166.3153.614947.90000110.5
1288T33.4Very low27.3Very low105 Ų105139.3 Ų139.364%0.64475%0.748SS**  cis-164135.9-40.328.10000106.4
1289N25.2Very low27.6Very low177 Ų177132.8 Ų132.895%0.94774%0.741SS**  trans-118.6118.6141.8-98.5-7.2000106.1
1290S32.2Very low27.6Very low88 Ų88132.1 Ų132.162%0.61574%0.737SS**  trans-92.3166.9-173.6-49.90000110.9
1291T29.6Very low28Very low122 Ų122133.5 Ų133.575%0.74873%0.732SS**  trans9.4137.9150.315.50000118.8
1292E24.7Very low28.3Very low169 Ų169132.8 Ų132.879%0.7972%0.724SS**  cis-168.6147.425.8-165.7160.7-114.500112.1
1293R24.6Very low28.6Very low208 Ų208133.8 Ų133.879%0.78572%0.724SS**  trans-174.4132.3132.4-106.2171.8-176-165.1-2.3110.5H1301R1293-H1301 PolarHBondContact NH2-O 3.11Å; R1293-H1301 VanDerWaalsContact NH2-O 3.07Å
1294S30.3Very low28.6Very low101 Ų101130.7 Ų130.771%0.70672%0.721SS**  trans-114.3143.7168.9-156.70000108.4
1295K28.9Very low28.6Very low158 Ų158129.9 Ų129.969%0.68773%0.725SS**  trans56.5110.6165-62.6178.5-177179.20118T1297K1295-T1297 CarbonylContact O-C 3.53Å
1296D34.4Very low28.5Very low168 Ų168129.2 Ų129.290%0.89873%0.725SS**SBend-70.5126.5105.9-62.8-65.8000106.9
1297T31Very low28.3Very low107 Ų107130.2 Ų130.266%0.65674%0.739SS**SBendcis-75.1134.910.230.10000117.7K1295K1295-T1297 CarbonylContact O-C 3.53Å
1298E24.7Very low28Very low165 Ų165128.2 Ų128.277%0.77174%0.737SS**SBendtrans80.8101.8147.1-64.1-178.914200121.2
1299S27.3Very low27.5Very low110 Ų110130.8 Ų130.877%0.76975%0.745SS**  trans114.299.5133.672.80000121.6
1300S26.6Very low27.4Very low87 Ų87128.7 Ų128.761%0.60873%0.733SS**  trans67.1119.2134.848.80000125
1301H31.4Very low27Very low136 Ų136130.2 Ų130.263%0.6374%0.738SS**  trans62.6166.3139.9-54.1-48.3000120R1293R1293-H1301 PolarHBondContact NH2-O 3.11Å; R1293-H1301 VanDerWaalsContact NH2-O 3.07Å
1302H30.2Very low26.7Very low134 Ų134131 Ų13162%0.6274%0.738SS**  cis-159.6140.6-38-103.4-52.6000111.6
1303H28.5Very low26.8Very low165 Ų165127 Ų12776%0.76473%0.729SS**  trans51.3161.8150.8-58.7-58.9000122.8
1304S26.9Very low26.7Very low96 Ų96124.2 Ų124.267%0.67173%0.73SS**  cis-172.2148.3-3056.20000114.9
1305S25.4Very low26.5Very low105 Ų105125.6 Ų125.673%0.73473%0.734SS**  trans66.6127.6142.759.50000127.5
1306S25.1Very low26.2Very low111 Ų111125.5 Ų125.578%0.77674%0.74SS**  83.1112.2126.366.50000127.9
1307A23.2Very low25.8Very low108 Ų108123 Ų12389%0.89373%0.734SS**  77.2133.211800000127.1
1308G25Very low25.3Very low73 Ų73123.3 Ų123.375%0.75374%0.741SS**  trans98.2159.5153.900000118.7
1309L22.6Very low25.7Very low158 Ų158119.7 Ų119.783%0.82773%0.731SS**  cis-171.7153.1-32.6-112.2168.6000110.5
1310I23.4Very low25.7Very low134 Ų134121.7 Ų121.769%0.68773%0.733SS**  trans78.8114.2151-70.8160.9000123
1311T24.5Very low25.7Very low119 Ų119126 Ų12673%0.7374%0.738SS**  trans52.1155.6144.266.40000123
1312D23Very low25.3Very low138 Ų138128.7 Ų128.774%0.73875%0.748SS**  cis-160.3164.6-6-131.7-59.3000115.1
1313S25.2Very low25.2Very low87 Ų87129.2 Ų129.261%0.60876%0.76SS**  trans57.2109.9146-72.10000126.4
1314N24.4Very low25.1Very low148 Ų148126.7 Ų126.779%0.79176%0.761SS**  trans58.6131.2132.2-61.3-46.6000124.8
1315V24.3Very low25Very low131 Ų131127.6 Ų127.679%0.79477%0.767SS**  161.1125.8114.2160.30000115.3
1316L23.5Very low25.1Very low155 Ų155128.8 Ų128.881%0.81277%0.77SS**  trans66143.6155.6-109.466.5000126.6
1317C25.4Very low25.2Very low115 Ų115131.8 Ų131.878%0.77778%0.776SS**  trans84.4121146.6-81.40000123.3
1318S21Very low25.3Very low114 Ų114130.8 Ų130.880%0.79776%0.763SS**  trans-112.2-163.9167.9-33.90000108.7
1319P33.9Very low25.4Very low89 Ų89128.6 Ų128.658%0.57874%0.737SS**  cis-136.6-175.5-6.343.3-26.8000114.9Y1321P1319-Y1321 HydrophobicContact CG-CE2 4.38Å
1320D26.6Very low25.7Very low152 Ų152125.9 Ų125.981%0.81372%0.723SS**  trans-153.8170.3135.2-133.8-35.8000113.1
1321Y26.2Very low26.2Very low179 Ų179120 Ų12070%0.70270%0.695SS**  trans-111.1159-161.7-47.6-88.7000113.4P1319P1319-Y1321 HydrophobicContact CG-CE2 4.38Å
1322K23.2Very low26.4Very low192 Ų192116.6 Ų116.684%0.83567%0.672SS**  cis-171.2151.749.9-66.7165.5-179.4147.60111.4
1323T27.8Very low26.8Very low144 Ų144113.4 Ų113.488%0.88367%0.665SS**  -171137.1126.412.80000115.1
1324S27.6Very low26.9Very low112 Ų112113.6 Ų113.678%0.78366%0.659SS**  trans31.6132.8149.6-150.80000123.1
1325S23.9Very low27.1Very low115 Ų115113.4 Ų113.480%0.80466%0.663SS**  trans-110.6125170.858.10000112.8
1326T27.9Very low27.3Very low130 Ų130111.1 Ų111.180%0.79867%0.666SS**  trans-139.7141.1167.445.10000110.9
1327I26.6Very low27.6Very low175 Ų175107.2 Ų107.290%0.89766%0.663SS**  trans-85.4134.6179.8-63.9167000109.7
1328S26Very low27.8Very low87 Ų87110.1 Ų110.161%0.60867%0.671SS**  trans-87.5155.2174.2-64.40000111.1T1276T1276-S1328 WeakPolarHBondContact O-CB 3.33Å
1329A27.2Very low28Very low26 Ų26109.1 Ų109.122%0.21567%0.67CS.*BIsolated β-bridgetrans-96.2-158.8-174.400000111.8C1275 T1276C1275-A1329 CarbonylContact C-O 3.55Å; T1276-A1329 PolarHBondContact N-O 3.38Å; T1276-A1329 CarbonylContact O-C 3.44Å; T1276-A1329 PolarHBondContact O-N 3.46Å; T1276-A1329 VanDerWaalsContact O-O 3.1Å
1330L28.9Very low27.8Very low102 Ų102110.2 Ų110.253%0.53468%0.68SS.*EExtended strand (participates in β ladder)trans-127.3144-172.5-47.3178.7000113.8L1274 T1276L1274-L1330 HydrophobicContact CB-CB 3.76Å; L1274-L1330 WeakPolarHBondContact O-CD2 3.43Å; T1276-L1330 VanDerWaalsContact CB-C 3.48Å; T1276-L1330 WeakPolarHBondContact CB-O 3.47Å
1331G33.6Very low27.8Very low9 Ų9110.7 Ų110.79%0.09368%0.682CS.*EExtended strand (participates in β ladder)trans-175.9167.5-177.200000114.2L1274 C1275L1274-G1331 CarbonylContact C-O 3.57Å; L1274-G1331 WeakPolarHBondContact CA-O 3.42Å; C1275-G1331 PolarHBondContact N-O 3.21Å; C1275-G1331 CarbonylContact O-C 3.52Å; C1275-G1331 WeakPolarHBondContact O-CA 3.41Å; C1275-G1331 PolarHBondContact O-N 3.42Å; C1275-G1331 VanDerWaalsContact O-N 3.17Å
1332L28.5Very low27.9Very low48 Ų48108.6 Ų108.625%0.25169%0.692SS.*  trans-135.4155.6-167.4-106.2172.8000113.2I1185 L1273 L1274I1185-L1332 HydrophobicContact CD1-CD1 4.21Å; L1273-L1332 WeakPolarHBondContact O-CD2 3.3Å; L1273-L1332 WeakPolarHBondContact O-CG 3.43Å; L1274-L1332 HydrophobicContact CD2-CB 3.8Å; L1274-L1332 HydrophobicContact CD2-CD1 3.68Å; L1274-L1332 HydrophobicContact CD2-CG 3.61Å; L1274-L1332 HydrophobicContact CG-CD1 3.87Å; L1274-L1332 HydrophobicContact CG-CG 3.86Å
1333A30.6Very low27.9Very low71 Ų71102.8 Ų102.859%0.58769%0.687SS**  trans-144.5146.8163.700000109.6
1334L27.5Very low27.7Very low92 Ų92105.8 Ų105.848%0.48269%0.688SS.*  trans-116.2118-179.3-68.6175.4000110.7I1185 M1355I1185-L1334 HydrophobicContact CG2-CD1 4.33Å; L1334-M1355 HydrophobicContact CD1-CG 4.4Å; L1334-M1355 HydrophobicContact CD1-SD 3.95Å; L1334-M1355 HydrophobicContact CG-SD 4.29Å
1335T28.7Very low27.5Very low143 Ų143105.8 Ų105.888%0.87769%0.688SS**  trans-142.7116.917052.60000109.8
1336G29.3Very low27.5Very low84 Ų84103.5 Ų103.587%0.86668%0.683SS**  trans-111.2159160.900000110.2
1337G28.8Very low27.4Very low73 Ų73107.6 Ų107.675%0.75369%0.69SS**  cis-148.4-163.22.200000112.5
1338N29.1Very low27.3Very low176 Ų176106.2 Ų106.294%0.94169%0.69SS**  trans-69.3156.9-165.9-64.1-8.4000114.6
1339A26.6Very low27.4Very low93 Ų93105.1 Ų105.177%0.76969%0.692SS**  trans-106.8145.7176.800000112.6
1340S28.9Very low27.5Very low112 Ų112110.6 Ų110.678%0.78372%0.718SS**  173.9144.5119.143.50000113.7
1341N27.5Very low27.7Very low162 Ų162112.3 Ų112.387%0.86673%0.728SS**  trans51.279.1155-64.67.7000121
1342C27Very low27.9Very low135 Ų135116.2 Ų116.291%0.91275%0.746SS**  -135.6160.1116.364.80000109.2
1343G23.9Very low28.7Very low70 Ų70119 Ų11972%0.72276%0.758SS**  trans-101.1166.9-155.300000117.8
1344F23Very low29.4Very low206 Ų206119.3 Ų119.390%0.90475%0.748SS**  trans82125.9163.6-80.1-90.2000121.5
1345S23.5Very low30.2Very low112 Ų112115.9 Ų115.978%0.78373%0.73SS**  trans53.185.915156.80000120.4
1346G24.3Very low30.9Very low68 Ų68113 Ų11370%0.70170%0.703SS**  71105.6116.800000120.5
1347F26Very low31.8Very low216 Ų216109 Ų10995%0.94766%0.662SS**  trans-160.1135.7130.2-102.1-68.1000110G1349F1347-G1349 PolarHBondContact O-N 3.35Å
1348T24.6Very low32.5Very low145 Ų145110.1 Ų110.189%0.8964%0.643SS**  trans-9081.2-177.451.30000112.2
1349G27.2Very low33.4Very low64 Ų64102.5 Ų102.566%0.6660%0.602SS**  trans-83.9109.4175.400000113F1347 N1351F1347-G1349 PolarHBondContact O-N 3.35Å; G1349-N1351 PolarHBondContact O-N 3.02Å
1350N29.1Very low34Very low141 Ų141102 Ų10275%0.75459%0.587SS**  trans-92.175.9-176.4-162.66.5000112N1352N1350-N1352 PolarHBondContact O-N 3.46Å; N1350-N1352 PolarHBondContact O-ND2 3.35Å; N1350-N1352 VanDerWaalsContact O-ND2 3.15Å
1351N33.7Very low34.4Very low139 Ų13999.7 Ų99.774%0.74358%0.581SS**  trans-67.993.3-173.9-73.90.3000112.5G1349 H1353G1349-N1351 PolarHBondContact O-N 3.02Å; N1351-H1353 VanDerWaalsContact C-N 3.32Å; N1351-H1353 PolarHBondContact O-N 3.3Å
1352N39.2Very low35Very low90 Ų9095.8 Ų95.848%0.48156%0.562SS.*  trans-7282.2172.1-76.5-89.5000110.7N1350 M1354 K1368N1350-N1352 PolarHBondContact O-N 3.46Å; N1350-N1352 PolarHBondContact O-ND2 3.35Å; N1350-N1352 VanDerWaalsContact O-ND2 3.15Å; N1352-M1354 PolarHBondContact O-N 2.93Å; N1352-K1368 WeakPolarHBondContact OD1-CE 3.41Å; N1352-K1368 PolarHBondContact OD1-NZ 2.95Å
1353H43.6Very low36Very low108 Ų10892.8 Ų92.850%0.554%0.535SS..PPolyproline II helixtrans-61.8118.9170.4-106.4-78.9000110.5N1351N1351-H1353 VanDerWaalsContact C-N 3.32Å; N1351-H1353 PolarHBondContact O-N 3.3Å
1354M45.2Very low37Very low77 Ų7792.9 Ų92.938%0.37951%0.514SS..PPolyproline II helixtrans-95.4127.9175.8-72.2151.663.300108.4N1352 D1366N1352-M1354 PolarHBondContact O-N 2.93Å; M1354-D1366 HydrophobicContact CE-CB 3.65Å; M1354-D1366 WeakPolarHBondContact CE-OD1 3.34Å
1355M44.4Very low38.5Very low19 Ų1986.1 Ų86.19%0.09449%0.489CS..EExtended strand (participates in β ladder)trans-86.7145.8-178.9-66.6-176.8-71.600110.7L1334 V1357 L1367 K1368L1334-M1355 HydrophobicContact CD1-CG 4.4Å; L1334-M1355 HydrophobicContact CD1-SD 3.95Å; L1334-M1355 HydrophobicContact CG-SD 4.29Å; M1355-V1357 HydrophobicContact CB-CG2 4.44Å; M1355-L1367 PolarHBondContact N-O 3.16Å; M1355-L1367 PolarHBondContact O-N 3.04Å; M1355-K1368 WeakPolarHBondContact CE-O 3.33Å
1356R44.6Very low39.9Very low82 Ų8282.8 Ų82.831%0.30946%0.463SS..EExtended strand (participates in β ladder)trans-102.2128.1164.6-56.1-163.7-63.1161.2-14.1108.6D1186 E1363 W1364D1186-R1356 HydrophobicContact CB-CB 4.44Å; D1186-R1356 PolarHBondContact N-O 3.19Å; D1186-R1356 PolarHBondContact O-N 2.95Å; D1186-R1356 IonicContact OD2-CZ 3.32Å; D1186-R1356 VanDerWaalsContact OD2-CZ 3.32Å; D1186-R1356 IonicContact OD2-NE 3.24Å; D1186-R1356 PolarHBondContact OD2-NE 3.43Å; D1186-R1356 IonicContact OD2-NH2 2.67Å; D1186-R1356 PolarHBondContact OD2-NH2 3.29Å; R1356-E1363 WeakPolarHBondContact CD-OE1 3.42Å; R1356-E1363 IonicContact CZ-OE1 3.5Å; R1356-E1363 IonicContact NE-OE1 3.69Å; R1356-E1363 IonicContact NH1-OE1 2.72Å; R1356-E1363 PolarHBondContact NH1-OE1 3.44Å; R1356-W1364 WeakPolarHBondContact CA-O 3.26Å
1357V46.9Very low41.1Very low1 Ų179.7 Ų79.71%0.00643%0.43CS..EExtended strand (participates in β ladder)trans-129.1125.9-178.8-176.60000109.5V1183 T1184 I1185 M1355 I1359 W1364 L1367 F1370V1183-V1357 HydrophobicContact CG1-CG1 3.64Å; T1184-V1357 CarbonylContact O-C 3.38Å; T1184-V1357 WeakPolarHBondContact O-CA 3.4Å; I1185-V1357 HydrophobicContact CG1-CG2 4.41Å; M1355-V1357 HydrophobicContact CB-CG2 4.44Å; V1357-I1359 HydrophobicContact CG1-CD1 4.49Å; V1357-I1359 HydrophobicContact CG1-CG1 4.02Å; V1357-W1364 PolarHBondContact N-O 3.37Å; V1357-W1364 WeakPolarHBondContact O-CA 3.25Å; V1357-W1364 VanDerWaalsContact O-CB 3.31Å; V1357-W1364 WeakPolarHBondContact O-CB 3.08Å; V1357-W1364 PolarHBondContact O-N 3.49Å; V1357-L1367 HydrophobicContact CB-CD1 3.87Å; V1357-L1367 HydrophobicContact CG2-CD1 3.81Å; V1357-F1370 HydrophobicContact CG1-CD2 4.37Å; V1357-F1370 HydrophobicContact CG1-CE2 4.41Å
1358W44.8Very low42Very low96 Ų9672 Ų7236%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-96.9130.9173.2-62.567.9000109.5V1183 T1184 V1362 E1363V1183-W1358 WeakPolarHBondContact CA-O 3.39Å; T1184-W1358 PolarHBondContact N-O 3.45Å; T1184-W1358 PolarHBondContact O-N 3.29Å; W1358-V1362 VanDerWaalsContact CA-O 3.31Å; W1358-V1362 WeakPolarHBondContact CA-O 3.45Å; W1358-E1363 HydrophobicContact CD2-CB 3.88Å; W1358-E1363 HydrophobicContact CD2-CG 4.26Å; W1358-E1363 HydrophobicContact CE3-CB 3.99Å; W1358-E1363 HydrophobicContact CH2-CB 3.83Å; W1358-E1363 HydrophobicContact CH2-CG 4.41Å; W1358-E1363 HydrophobicContact CZ2-CB 3.69Å; W1358-E1363 VanDerWaalsContact CZ2-CD 3.47Å; W1358-E1363 HydrophobicContact CZ2-CG 3.78Å; W1358-E1363 HydrophobicContact CZ3-CB 3.97Å
1359I47.6Very low43.1Very low16 Ų1670.8 Ų70.88%0.08238%0.379CS..EExtended strand (participates in β ladder)trans-130.5119.1179.3-51175.9000107.3I1108 L1181 V1357 G1361 V1362 F1370I1108-I1359 HydrophobicContact CD1-CD1 4.39Å; I1108-I1359 HydrophobicContact CD1-CG2 4.01Å; I1108-I1359 HydrophobicContact CG2-CD1 4.38Å; L1181-I1359 HydrophobicContact CD1-CG2 4.07Å; V1357-I1359 HydrophobicContact CG1-CD1 4.49Å; V1357-I1359 HydrophobicContact CG1-CG1 4.02Å; I1359-G1361 PolarHBondContact O-N 3.37Å; I1359-G1361 VanDerWaalsContact O-N 3.09Å; I1359-V1362 PolarHBondContact N-O 2.64Å; I1359-V1362 WeakPolarHBondContact O-CB 3.48Å; I1359-V1362 PolarHBondContact O-N 3.24Å; I1359-F1370 HydrophobicContact CD1-CD2 4.47Å; I1359-F1370 HydrophobicContact CD1-CE2 3.74Å; I1359-F1370 HydrophobicContact CG1-CE2 4.46Å
1360D39.5Very low43.9Very low84 Ų8468.6 Ų68.645%0.44935%0.351SS..THydrogen-bonded Turntrans46.540.1-178.8-58-20000113.5
1361G36.6Very low44.8Very low63 Ų6364.8 Ų64.865%0.64933%0.329SS*.THydrogen-bonded Turntrans86.4-6.5-179.700000116I1359I1359-G1361 PolarHBondContact O-N 3.37Å; I1359-G1361 VanDerWaalsContact O-N 3.09Å
1362V39.5Very low45.3Very low79 Ų7959.7 Ų59.748%0.47930%0.301SS..EExtended strand (participates in β ladder)trans-92.9123177.9-177.10000110.6W1358 I1359 W1364W1358-V1362 VanDerWaalsContact CA-O 3.31Å; W1358-V1362 WeakPolarHBondContact CA-O 3.45Å; I1359-V1362 PolarHBondContact N-O 2.64Å; I1359-V1362 WeakPolarHBondContact O-CB 3.48Å; I1359-V1362 PolarHBondContact O-N 3.24Å; V1362-W1364 HydrophobicContact CG1-CZ2 4.49Å; V1362-W1364 VanDerWaalsContact O-CD1 3.27Å
1363E48.3Very low45.5Very low72 Ų7257.1 Ų57.134%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-74.6129.9172.1-171.8171.9-154.100111.5R1356 W1358 T1365R1356-E1363 WeakPolarHBondContact CD-OE1 3.42Å; R1356-E1363 IonicContact CZ-OE1 3.5Å; R1356-E1363 IonicContact NE-OE1 3.69Å; R1356-E1363 IonicContact NH1-OE1 2.72Å; R1356-E1363 PolarHBondContact NH1-OE1 3.44Å; W1358-E1363 HydrophobicContact CD2-CB 3.88Å; W1358-E1363 HydrophobicContact CD2-CG 4.26Å; W1358-E1363 HydrophobicContact CE3-CB 3.99Å; W1358-E1363 HydrophobicContact CH2-CB 3.83Å; W1358-E1363 HydrophobicContact CH2-CG 4.41Å; W1358-E1363 HydrophobicContact CZ2-CB 3.69Å; W1358-E1363 VanDerWaalsContact CZ2-CD 3.47Å; W1358-E1363 HydrophobicContact CZ2-CG 3.78Å; W1358-E1363 HydrophobicContact CZ3-CB 3.97Å; E1363-T1365 HydrophobicContact CG-CG2 4.17Å
1364W45.9Very low45.3Very low72 Ų7255.9 Ų55.927%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-115.5106.3170.6-60.583000109.5Y1110 V1174 R1356 V1357 V1362 L1367Y1110-W1364 HydrophobicContact CE1-CH2 4.32Å; Y1110-W1364 HydrophobicContact CE1-CZ3 4.13Å; Y1110-W1364 HydrophobicContact CE2-CE3 4.03Å; Y1110-W1364 AromaticContact CE2-CZ3 3.93Å; Y1110-W1364 HydrophobicContact CE2-CZ3 3.93Å; Y1110-W1364 AromaticContact CZ-CE3 3.92Å; Y1110-W1364 AromaticContact CZ-CH2 4Å; Y1110-W1364 AromaticContact CZ-CZ3 3.44Å; Y1110-W1364 VanDerWaalsContact CZ-CZ3 3.44Å; Y1110-W1364 WeakPolarHBondContact OH-CZ3 3.41Å; V1174-W1364 HydrophobicContact CG2-CH2 4.44Å; R1356-W1364 WeakPolarHBondContact CA-O 3.26Å; V1357-W1364 PolarHBondContact N-O 3.37Å; V1357-W1364 WeakPolarHBondContact O-CA 3.25Å; V1357-W1364 VanDerWaalsContact O-CB 3.31Å; V1357-W1364 WeakPolarHBondContact O-CB 3.08Å; V1357-W1364 PolarHBondContact O-N 3.49Å; V1362-W1364 HydrophobicContact CG1-CZ2 4.49Å; V1362-W1364 VanDerWaalsContact O-CD1 3.27Å; W1364-L1367 HydrophobicContact CB-CD1 3.78Å; W1364-L1367 HydrophobicContact CB-CD2 4.49Å; W1364-L1367 HydrophobicContact CB-CG 4.19Å
1365T54Low45Very low64 Ų6456.8 Ų56.839%0.39330%0.3SS..EExtended strand (participates in β ladder)trans-84.4175172.763.20000111.6E1363 L1367E1363-T1365 HydrophobicContact CG-CG2 4.17Å; T1365-L1367 PolarHBondContact O-N 3.29Å
1366D53Low44.6Very low43 Ų4362.5 Ų62.523%0.2332%0.321CS..EExtended strand (participates in β ladder)trans59.823.6166.6-49.7-20.8000115.2N1115 M1354N1115-D1366 PolarHBondContact ND2-OD2 2.78Å; M1354-D1366 HydrophobicContact CE-CB 3.65Å; M1354-D1366 WeakPolarHBondContact CE-OD1 3.34Å
1367L48.7Very low44Very low2 Ų269.8 Ų69.81%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-84.8128.8179.2-60.5-171.2000111.3Y1110 M1355 V1357 W1364 T1365Y1110-L1367 HydrophobicContact CD2-CD2 3.55Å; Y1110-L1367 HydrophobicContact CE2-CD2 4.32Å; Y1110-L1367 HydrophobicContact CG-CD2 4.21Å; M1355-L1367 PolarHBondContact N-O 3.16Å; M1355-L1367 PolarHBondContact O-N 3.04Å; V1357-L1367 HydrophobicContact CB-CD1 3.87Å; V1357-L1367 HydrophobicContact CG2-CD1 3.81Å; W1364-L1367 HydrophobicContact CB-CD1 3.78Å; W1364-L1367 HydrophobicContact CB-CD2 4.49Å; W1364-L1367 HydrophobicContact CB-CG 4.19Å; T1365-L1367 PolarHBondContact O-N 3.29Å
1368K46.7Very low43.4Very low54 Ų5475.2 Ų75.224%0.23538%0.381CS..EExtended strand (participates in β ladder)trans-90.2-31.8167.3-72.2-164.3173.6-175.90113.2W1111 I1113 N1352 M1355W1111-K1368 PolarHBondContact O-N 3.25Å; W1111-K1368 VanDerWaalsContact O-N 3.07Å; I1113-K1368 HydrophobicContact CD1-CD 4.08Å; I1113-K1368 VanDerWaalsContact CD1-CE 3.46Å; N1352-K1368 WeakPolarHBondContact OD1-CE 3.41Å; N1352-K1368 PolarHBondContact OD1-NZ 2.95Å; M1355-K1368 WeakPolarHBondContact CE-O 3.33Å
1369F46.9Very low43.1Very low121 Ų12178.9 Ų78.953%0.53140%0.402SS..EExtended strand (participates in β ladder)trans-147.6142-176.5-57.2-75.1000111.4Y1110 W1111Y1110-F1369 WeakPolarHBondContact CA-O 3.38Å; W1111-F1369 HydrophobicContact CB-CD2 4.45Å; W1111-F1369 PolarHBondContact N-O 2.92Å
1370F44.6Very low42.6Very low17 Ų1781.4 Ų81.48%0.07542%0.418CS..EExtended strand (participates in β ladder)trans-129.4130.6177.4172.5-101.1000110.1I1108 V1183 V1357 I1359 I1372I1108-F1370 HydrophobicContact CG2-CD2 4.35Å; I1108-F1370 HydrophobicContact CG2-CE2 3.72Å; V1183-F1370 HydrophobicContact CG1-CE1 4.09Å; V1183-F1370 HydrophobicContact CG1-CZ 4.14Å; V1183-F1370 HydrophobicContact CG2-CZ 4.21Å; V1357-F1370 HydrophobicContact CG1-CD2 4.37Å; V1357-F1370 HydrophobicContact CG1-CE2 4.41Å; I1359-F1370 HydrophobicContact CD1-CD2 4.47Å; I1359-F1370 HydrophobicContact CD1-CE2 3.74Å; I1359-F1370 HydrophobicContact CG1-CE2 4.46Å; F1370-I1372 HydrophobicContact CE1-CD1 4.03Å; F1370-I1372 HydrophobicContact CE1-CG1 3.88Å; F1370-I1372 HydrophobicContact CZ-CD1 4.16Å; F1370-I1372 HydrophobicContact CZ-CG1 3.87Å
1371Q47.6Very low42.5Very low62 Ų6286.8 Ų86.829%0.2944%0.438SS..EExtended strand (participates in β ladder)trans-139.9134.2-177.6176174.9-25.100112.4E1109 T1276 T1373E1109-Q1371 PolarHBondContact N-O 2.86Å; E1109-Q1371 PolarHBondContact O-N 2.68Å; T1276-Q1371 HydrophobicContact CG2-CG 4.23Å; Q1371-T1373 PolarHBondContact NE2-OG1 3.09Å
1372I44.8Very low42.5Very low32 Ų3287.1 Ų87.116%0.16443%0.429CS..EExtended strand (participates in β ladder)trans-103.1129.1168.9-56.5171.4000107.9L1181 F1370L1181-I1372 HydrophobicContact CD2-CD1 3.72Å; L1181-I1372 HydrophobicContact CD2-CG1 4.36Å; F1370-I1372 HydrophobicContact CE1-CD1 4.03Å; F1370-I1372 HydrophobicContact CE1-CG1 3.88Å; F1370-I1372 HydrophobicContact CZ-CD1 4.16Å; F1370-I1372 HydrophobicContact CZ-CG1 3.87Å
1373T42Very low42.4Very low35 Ų3586.3 Ų86.322%0.21542%0.419CS..EExtended strand (participates in β ladder)trans-125.6117.3-177.8-53.80000112.1Q1107 Q1371 V1375Q1107-T1373 PolarHBondContact O-N 3.25Å; Q1371-T1373 PolarHBondContact NE2-OG1 3.09Å; T1373-V1375 HydrophobicContact CG2-CG2 4.12Å; T1373-V1375 PolarHBondContact O-N 3.27Å
1374P39.7Very low41.7Very low83 Ų8385 Ų8554%0.53942%0.417SS..  trans-76.693174.930.6-33.4000110.9W1376P1374-W1376 PolarHBondContact O-N 3.39Å
1375V38.1Very low41.2Very low96 Ų9683.3 Ų83.358%0.58241%0.414SS*.  trans-80.750.5176.7-164.40000111.4Q1107 T1373Q1107-V1375 HydrophobicContact CB-CG2 4.26Å; T1373-V1375 HydrophobicContact CG2-CG2 4.12Å; T1373-V1375 PolarHBondContact O-N 3.27Å
1376W36.7Very low40.3Very low139 Ų13983.3 Ų83.353%0.52741%0.414SS..  trans-120.8140.4-169.8-73.782.9000113.2D1105 P1374D1105-W1376 HydrophobicContact CB-CZ2 3.86Å; D1105-W1376 PolarHBondContact O-NE1 2.84Å; P1374-W1376 PolarHBondContact O-N 3.39Å
1377R32.7Very low39.7Very low235 Ų23584.2 Ų84.289%0.88742%0.419SS*.SBendtrans-91.8120168.8-68.9179.2179.3166.50.6108.5
1378T34.4Very low39.1Very low114 Ų11487.3 Ų87.370%0.69944%0.435SS*.SBendtrans75.2133.6174.874.90000117.3V1380T1378-V1380 PolarHBondContact O-N 2.96Å
1379H37.9Very low38.7Very low174 Ų17489 Ų8981%0.80645%0.447SS*.  trans48.556154-52.6-54.6000121.1
1380V37.2Very low38Very low69 Ų6988.3 Ų88.342%0.41845%0.452SS..  trans-89.3134.1147.3-176.90000108.3W1104 T1378 C1382W1104-V1380 HydrophobicContact CZ3-CG2 4.4Å; T1378-V1380 PolarHBondContact O-N 2.96Å; V1380-C1382 WeakPolarHBondContact CG1-O 3.42Å
1381K38.2Very low37.3Very low197 Ų19793.4 Ų93.486%0.85748%0.481SS*.  trans-111.6-37.3176.8-76.6-172.5177.9179.40113.6
1382C35.5Very low36.5Very low69 Ų6999.5 Ų99.547%0.46651%0.509SS..  trans-137.4161.9177.9-58.80000109.6V1380 K1400V1380-C1382 WeakPolarHBondContact CG1-O 3.42Å; C1382-K1400 VanDerWaalsContact CB-C 3.47Å; C1382-K1400 WeakPolarHBondContact CB-O 3.45Å; C1382-K1400 WeakPolarHBondContact CB-OXT 3.28Å; C1382-K1400 PolarHBondContact SG-O 3.13Å
1383F38.2Very low35.8Very low63 Ų63104 Ų10428%0.27654%0.538SS..  trans-151.7120.4176.8176.3-103.6000108.8I1106 L1181 V1385I1106-F1383 HydrophobicContact CD1-CE2 3.99Å; I1106-F1383 HydrophobicContact CD1-CZ 3.94Å; I1106-F1383 HydrophobicContact CG1-CE2 4.39Å; L1181-F1383 HydrophobicContact CB-CE1 4.29Å; L1181-F1383 HydrophobicContact CB-CZ 3.91Å; L1181-F1383 HydrophobicContact CD2-CZ 4.45Å; F1383-V1385 HydrophobicContact CD1-CG2 3.63Å; F1383-V1385 HydrophobicContact CE1-CG2 3.69Å
1384P32.7Very low35.1Very low43 Ų43109.3 Ų109.328%0.27957%0.565SS.*  trans-74.7127.7-176.629.6-34000111V1399P1384-V1399 WeakPolarHBondContact CB-O 3.42Å
1385V36.1Very low34.6Very low37 Ų37111.1 Ų111.122%0.22457%0.574CS.*EExtended strand (participates in β ladder)trans-126122.6171.7-177.10000108.2V1183 F1383 L1387V1183-V1385 HydrophobicContact CG2-CG1 4.49Å; F1383-V1385 HydrophobicContact CD1-CG2 3.63Å; F1383-V1385 HydrophobicContact CE1-CG2 3.69Å; V1385-L1387 HydrophobicContact CG1-CD2 3.68Å; V1385-L1387 HydrophobicContact CG1-CG 4.15Å
1386V34.4Very low34Very low64 Ų64111.4 Ų111.439%0.38859%0.587SS.*EExtended strand (participates in β ladder)trans-97.9121.8171.6-179.10000108.4L1181 V1182 V1183L1181-V1386 PolarHBondContact O-N 2.88Å; V1182-V1386 HydrophobicContact CG1-CB 4.36Å; V1182-V1386 HydrophobicContact CG2-CB 4.34Å; V1183-V1386 PolarHBondContact N-O 3.41Å
1387L40.2Very low33.9Very low63 Ų63110 Ų11033%0.3359%0.593SS.*  trans-111.8114.9174.1-56.1-178.9000108.5V1183 R1272 V1385V1183-L1387 HydrophobicContact CB-CD2 4Å; V1183-L1387 WeakPolarHBondContact O-CD2 3.22Å; R1272-L1387 HydrophobicContact CB-CD1 4.29Å; V1385-L1387 HydrophobicContact CG1-CD2 3.68Å; V1385-L1387 HydrophobicContact CG1-CG 4.15Å
1388L36.1Very low33.8Very low66 Ų66105.2 Ų105.235%0.34659%0.585SS.*  trans-85157170.3-65.5170.6000110.3T1184 R1272T1184-L1388 HydrophobicContact CG2-CB 4.22Å; R1272-L1388 PolarHBondContact NH1-O 2.77Å
1389N38.2Very low33.7Very low90 Ų90104.2 Ų104.248%0.48158%0.578SS.*  trans-130.6138.1174-165.558.8000108.5R1272 N1391R1272-N1389 PolarHBondContact NH2-OD1 2.92Å; N1389-N1391 VanDerWaalsContact C-N 3.3Å; N1389-N1391 PolarHBondContact ND2-O 3.44Å; N1389-N1391 PolarHBondContact O-N 3.28Å
1390T32.2Very low33.3Very low106 Ų106103.8 Ų103.865%0.6557%0.574SS**SBendtrans-79.1-12.9-175.141.30000113.9
1391N29.2Very low33.1Very low125 Ų125105.6 Ų105.667%0.66858%0.582SS**SBendtrans-111.9126.8178.4-69.9-32.5000111.1N1389N1389-N1391 VanDerWaalsContact C-N 3.3Å; N1389-N1391 PolarHBondContact ND2-O 3.44Å; N1389-N1391 PolarHBondContact O-N 3.28Å
1392Q31.5Very low32.8Very low190 Ų190100.7 Ų100.789%0.88857%0.568SS**  trans68123.5-174.7-65-175.1-11.600116.2
1393V31.2Very low32.7Very low127 Ų127102.5 Ų102.577%0.7757%0.573SS**  trans-85.2114.1170.1175.60000107.8
1394D26.9Very low32.4Very low145 Ų145104.8 Ų104.878%0.77559%0.591SS**  trans-179.4153.4137.2-97.7-27.7000112.4
1395T29.2Very low32.3Very low121 Ų121108.7 Ų108.774%0.74261%0.61SS**  trans60.985.1171.762.60000118.7T1397T1395-T1397 PolarHBondContact O-N 3.46Å
1396A26.2Very low32.1Very low102 Ų102113.5 Ų113.584%0.84364%0.636SS**  trans-69.3113158.200000110.4
1397T33.9Very low31.9Very low109 Ų109117 Ų11767%0.66965%0.654SS**  trans-107.6125.6-176.8-570000111.8T1395 V1399T1395-T1397 PolarHBondContact O-N 3.46Å; T1397-V1399 PolarHBondContact O-N 3.22Å
1398L29.2Very low31.3Very low135 Ų135121.2 Ų121.271%0.70768%0.679SS**  trans-88.2107.8-173.7-167.5144.8000111.5
1399V33.9Very low30.9Very low93 Ų93125.8 Ų125.856%0.56471%0.707SS**  trans-85.4133.1179.4-175.20000110.4P1384 T1397P1384-V1399 WeakPolarHBondContact CB-O 3.42Å; T1397-V1399 PolarHBondContact O-N 3.22Å
1400K29.1Very low30.2Very low166 Ų166129 Ų12972%0.72273%0.727SS**  trans-115.80-164.6-171.4171.4-174.8169.20114.8C1382C1382-K1400 VanDerWaalsContact CB-C 3.47Å; C1382-K1400 WeakPolarHBondContact CB-O 3.45Å; C1382-K1400 WeakPolarHBondContact CB-OXT 3.28Å; C1382-K1400 PolarHBondContact SG-O 3.13Å

Retrieved 1,400 of 1,400 residues in 269.4 ms (Link to these results)

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