A0A087X9Y4_POEFO Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB (A0A3B3W1X6), UniProt , Accession A0A087X9Y4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 414 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
1M50.9Low88.1Confident246 Ų24677.2 Ų77.2100%1.21241%0.405SS*.  0138.80-61.3-173-145.600107.2
2S64.3Low88.9Confident107 Ų10770.8 Ų70.875%0.74837%0.371SS*.PPolyproline II helixtrans-61.7144.9169.748.40000109.4K4S2-K4 PolarHBondContact O-N 3.46Å
3Q84.9Confident89.7Confident176 Ų17665.4 Ų65.482%0.82234%0.343SS*.PPolyproline II helixtrans-63.5131.9174.6-170.4170.2300109.1
4K94.4Very high90.3Very high96 Ų9663 Ų6342%0.41733%0.329SS..PPolyproline II helixtrans-73.1149.2176-65.2-172.2-174.6-176.80110.1S2 K6 F32 Y34 E36S2-K4 PolarHBondContact O-N 3.46Å; K4-K6 PolarHBondContact O-N 3.26Å; K4-F32 WeakPolarHBondContact CE-O 3.34Å; K4-F32 PolarHBondContact NZ-O 3.04Å; K4-Y34 CarbonylContact C-O 3.57Å; K4-Y34 WeakPolarHBondContact CA-O 3.24Å; K4-Y34 WeakPolarHBondContact CB-O 3.45Å; K4-E36 HydrophobicContact CB-CB 4.21Å
5I95.6Very high90.8Very high31 Ų3158.8 Ų58.816%0.15931%0.307CS..EExtended strand (participates in β ladder)trans-73.5124.3175.5-57.2166.1000107.8Y34 L35 E36 E350 L351 F354I5-Y34 PolarHBondContact N-O 2.83Å; I5-L35 HydrophobicContact CB-CD2 3.68Å; I5-L35 HydrophobicContact CD1-CD2 3.99Å; I5-L35 HydrophobicContact CG1-CD2 4.31Å; I5-L35 HydrophobicContact CG2-CD2 4.23Å; I5-L35 WeakPolarHBondContact O-CA 3.3Å; I5-E36 PolarHBondContact O-N 2.78Å; I5-E350 HydrophobicContact CD1-CB 4.39Å; I5-E350 HydrophobicContact CG1-CB 4.37Å; I5-E350 HydrophobicContact CG2-CB 3.87Å; I5-L351 HydrophobicContact CG2-CB 4.26Å; I5-F354 HydrophobicContact CD1-CB 3.74Å; I5-F354 HydrophobicContact CD1-CD2 4.47Å; I5-F354 HydrophobicContact CD1-CG 4.26Å
6K96.1Very high91.2Very high131 Ų13155.9 Ų55.957%0.5729%0.292SS*.EExtended strand (participates in β ladder)trans-78.7133.7174.2-66.6-171.4174.5-1670110K4 E36 N348K4-K6 PolarHBondContact O-N 3.26Å; K6-E36 WeakPolarHBondContact CA-O 3.11Å; K6-E36 VanDerWaalsContact CE-OE2 3.25Å; K6-E36 WeakPolarHBondContact CE-OE2 3.41Å; K6-E36 HydrophobicContact CG-CB 4.41Å; K6-N348 PolarHBondContact O-ND2 3.42Å
7A94.5Very high91.7Very high13 Ų1353.2 Ų53.211%0.10728%0.278CS..EExtended strand (participates in β ladder)trans-123.3152.3173.200000111.1E36 L37 L351A7-E36 PolarHBondContact N-O 2.84Å; A7-L37 HydrophobicContact CB-CD2 3.37Å; A7-L351 HydrophobicContact CB-CD1 4.2Å; A7-L351 HydrophobicContact CB-CD2 3.65Å
8G93.8Very high92Very high22 Ų2250.3 Ų50.323%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-70.3-175.1172.900000113.5V10 D346G8-V10 PolarHBondContact O-N 2.89Å; G8-D346 WeakPolarHBondContact CA-OD2 3.46Å; G8-D346 PolarHBondContact N-OD2 3.24Å
9S97.7Very high92.3Very high27 Ų2747.7 Ų47.719%0.18925%0.249CC..EExtended strand (participates in β ladder)trans-61.5131.7-173.7-43.40000113.2D38 R342S9-D38 VanDerWaalsContact CA-O 3.28Å; S9-D38 WeakPolarHBondContact CA-O 3.45Å; S9-D38 WeakPolarHBondContact CB-OD2 3.41Å; S9-D38 PolarHBondContact OG-OD2 3.02Å; S9-R342 VanDerWaalsContact O-CD 3.24Å; S9-R342 WeakPolarHBondContact O-CD 3.45Å; S9-R342 PolarHBondContact O-NH1 2.98Å
10V97.9Very high92.6Very high0 Ų049 Ų490%025%0.25CS..EExtended strand (participates in β ladder)trans-134.3136175.4174.80000109G8 D38 L39 H40 V69 I71 L339 R342G8-V10 PolarHBondContact O-N 2.89Å; V10-D38 PolarHBondContact N-O 3.31Å; V10-L39 HydrophobicContact CB-CD1 4.22Å; V10-L39 HydrophobicContact CG1-CD1 4.21Å; V10-L39 WeakPolarHBondContact O-CA 3.39Å; V10-H40 PolarHBondContact O-N 3.37Å; V10-V69 HydrophobicContact CG1-CG1 4.27Å; V10-V69 HydrophobicContact CG2-CB 4.48Å; V10-V69 HydrophobicContact CG2-CG1 4.3Å; V10-I71 HydrophobicContact CG1-CD1 3.46Å; V10-I71 VanDerWaalsContact CG1-CD1 3.46Å; V10-I71 HydrophobicContact CG1-CG1 3.66Å; V10-L339 HydrophobicContact CG2-CD2 4.46Å; V10-R342 HydrophobicContact CG2-CB 4.3Å; V10-R342 HydrophobicContact CG2-CG 4.04Å
11V98.8Very high92.9Very high0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-90.9121.6173.3-1800000109.4M13 H40 F42 A63 V64 Y67 V69 G70 I71V11-M13 HydrophobicContact CG1-CE 4.45Å; V11-M13 HydrophobicContact CG1-CG 4.41Å; V11-H40 CarbonylContact C-O 3.55Å; V11-H40 WeakPolarHBondContact CA-O 3.4Å; V11-H40 HydrophobicContact CG2-CB 4.29Å; V11-F42 HydrophobicContact CG1-CD2 3.67Å; V11-F42 HydrophobicContact CG1-CE2 3.81Å; V11-A63 HydrophobicContact CG1-CB 4.24Å; V11-A63 HydrophobicContact CG2-CB 3.82Å; V11-V64 HydrophobicContact CB-CG2 3.85Å; V11-V64 HydrophobicContact CG1-CG2 3.83Å; V11-V64 HydrophobicContact CG2-CG2 4.23Å; V11-Y67 HydrophobicContact CG2-CD2 3.78Å; V11-Y67 HydrophobicContact CG2-CG 4.41Å; V11-V69 WeakPolarHBondContact CB-O 3.45Å; V11-V69 PolarHBondContact N-O 2.61Å; V11-G70 CarbonylContact O-C 3.51Å; V11-G70 WeakPolarHBondContact O-CA 3.48Å; V11-I71 PolarHBondContact O-N 2.82Å
12E98.4Very high95.1Very high1 Ų136.7 Ų36.71%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-97.2129.2171.5179.6-164-162.800109.3Q14 W23 K27 L39 H40 S41 F42 W335E12-Q14 HydrophobicContact CG-CG 4.28Å; E12-W23 HydrophobicContact CG-CZ2 4.38Å; E12-W23 PolarHBondContact OE1-NE1 3.12Å; E12-K27 VanDerWaalsContact OE1-CD 3.27Å; E12-K27 WeakPolarHBondContact OE1-CD 3.39Å; E12-K27 VanDerWaalsContact OE1-CE 3.32Å; E12-K27 WeakPolarHBondContact OE1-CE 3.41Å; E12-K27 IonicContact OE1-NZ 2.85Å; E12-K27 PolarHBondContact OE1-NZ 3.41Å; E12-K27 IonicContact OE2-NZ 3.62Å; E12-L39 HydrophobicContact CB-CD1 3.9Å; E12-L39 HydrophobicContact CB-CD2 4.14Å; E12-L39 HydrophobicContact CB-CG 3.97Å; E12-L39 WeakPolarHBondContact OE2-CD2 3.44Å; E12-H40 PolarHBondContact N-O 3.05Å; E12-S41 CarbonylContact O-C 3.56Å; E12-S41 WeakPolarHBondContact O-CA 3.4Å; E12-S41 WeakPolarHBondContact OE2-CB 3.46Å; E12-S41 PolarHBondContact OE2-OG 3.39Å; E12-F42 PolarHBondContact O-N 3.02Å; E12-W335 HydrophobicContact CG-CH2 4.39Å; E12-W335 HydrophobicContact CG-CZ2 4.32Å
13M98.7Very high96.8Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-113.2102.7170.7-73.8168.8-88.100109.2V11 F42 L44 A60 V64 I71 K72 C73 I99 E303V11-M13 HydrophobicContact CG1-CE 4.45Å; V11-M13 HydrophobicContact CG1-CG 4.41Å; M13-F42 WeakPolarHBondContact CA-O 3.47Å; M13-L44 HydrophobicContact CB-CD1 3.76Å; M13-L44 HydrophobicContact CB-CG 4.1Å; M13-L44 HydrophobicContact CG-CD1 3.77Å; M13-L44 HydrophobicContact CG-CG 4.23Å; M13-L44 HydrophobicContact SD-CD1 3.93Å; M13-A60 HydrophobicContact CG-CB 3.8Å; M13-A60 HydrophobicContact SD-CB 3.95Å; M13-V64 HydrophobicContact CE-CG2 3.48Å; M13-V64 VanDerWaalsContact CE-CG2 3.48Å; M13-V64 HydrophobicContact SD-CG2 4.48Å; M13-I71 PolarHBondContact N-O 3.27Å; M13-K72 HydrophobicContact CB-CB 3.97Å; M13-K72 HydrophobicContact CB-CD 4.49Å; M13-K72 HydrophobicContact CB-CG 3.83Å; M13-K72 HydrophobicContact CE-CB 4.06Å; M13-K72 HydrophobicContact SD-CB 4.37Å; M13-K72 HydrophobicContact SD-CD 4.14Å; M13-K72 HydrophobicContact SD-CG 4.37Å; M13-C73 WeakPolarHBondContact O-CB 3.5Å; M13-C73 PolarHBondContact O-N 2.72Å; M13-I99 HydrophobicContact SD-CD1 3.64Å; M13-E303 HydrophobicContact CE-CG 3.88Å
14Q97.8Very high97.4Very high32 Ų3226.2 Ų26.215%0.1513%0.131CC..EExtended strand (participates in β ladder)trans-71.3156.5176-58.5-18013.500110.4E12 F42 L44E12-Q14 HydrophobicContact CG-CG 4.28Å; Q14-F42 PolarHBondContact N-O 2.9Å; Q14-L44 CarbonylContact O-C 3.51Å; Q14-L44 WeakPolarHBondContact O-CA 3.44Å; Q14-L44 WeakPolarHBondContact O-CB 3.35Å; Q14-L44 PolarHBondContact O-N 2.99Å
15G97.5Very high97.6Very high0 Ų023.1 Ų23.10%012%0.118CC..  trans-134.3-146.1-17400000112.5R20 A74G15-R20 VanDerWaalsContact O-CD 3.25Å; G15-R20 WeakPolarHBondContact O-CD 3.35Å; G15-R20 WeakPolarHBondContact O-CG 3.41Å; G15-R20 PolarHBondContact O-NH1 2.95Å; G15-A74 VanDerWaalsContact CA-O 3.29Å; G15-A74 WeakPolarHBondContact CA-O 3.48Å
16D98.4Very high97.7Very high13 Ų1321.6 Ų21.67%0.0711%0.111CC..  trans-123.4166.5-165.8-64.7-68.3000113.8T19 R20 G45 M46 A74 T75 I76 T310D16-T19 PolarHBondContact O-N 3.46Å; D16-T19 PolarHBondContact O-OG1 3.13Å; D16-R20 PolarHBondContact O-N 2.92Å; D16-G45 WeakPolarHBondContact OD1-CA 3.5Å; D16-M46 PolarHBondContact OD1-N 3.36Å; D16-A74 PolarHBondContact N-O 3.07Å; D16-T75 WeakPolarHBondContact OD2-CA 3.1Å; D16-I76 HydrophobicContact CB-CD1 3.88Å; D16-I76 HydrophobicContact CB-CG1 3.73Å; D16-I76 PolarHBondContact OD2-N 3.26Å; D16-T310 HydrophobicContact CB-CG2 4.03Å
17E98.3Very high97.8Very high10 Ų1015.8 Ų15.85%0.0479%0.085CC..Hα-helixtrans50.6-135.7166-56.1-176143.800114.5T19 R20 V21 I76 R82 T310 T312 Y315E17-T19 VanDerWaalsContact C-N 3.26Å; E17-T19 PolarHBondContact O-N 3.05Å; E17-R20 PolarHBondContact O-N 3.13Å; E17-V21 PolarHBondContact O-N 2.92Å; E17-I76 HydrophobicContact CG-CD1 3.88Å; E17-I76 HydrophobicContact CG-CG1 4.3Å; E17-R82 IonicContact OE1-CZ 3.7Å; E17-R82 VanDerWaalsContact OE1-CZ 3.28Å; E17-R82 IonicContact OE1-NH1 3.68Å; E17-R82 PolarHBondContact OE1-NH1 2.9Å; E17-R82 IonicContact OE1-NH2 2.7Å; E17-R82 PolarHBondContact OE1-NH2 3.33Å; E17-R82 IonicContact OE2-NH2 2.79Å; E17-T310 WeakPolarHBondContact OE2-CB 3.47Å; E17-T310 PolarHBondContact OE2-OG1 3.4Å; E17-T312 WeakPolarHBondContact OE1-CG2 3.29Å; E17-T312 PolarHBondContact OE1-OG1 3.01Å; E17-T312 VanDerWaalsContact OE2-CA 3.26Å; E17-T312 WeakPolarHBondContact OE2-CA 3.23Å; E17-T312 VanDerWaalsContact OE2-CB 3.32Å; E17-T312 WeakPolarHBondContact OE2-CB 3.46Å; E17-T312 PolarHBondContact OE2-OG1 3.03Å; E17-Y315 HydrophobicContact CB-CD1 3.61Å; E17-Y315 HydrophobicContact CB-CD2 3.94Å; E17-Y315 HydrophobicContact CB-CE1 4.14Å; E17-Y315 HydrophobicContact CB-CE2 4.43Å; E17-Y315 HydrophobicContact CB-CG 3.49Å; E17-Y315 VanDerWaalsContact CB-CG 3.49Å; E17-Y315 HydrophobicContact CG-CD1 3.64Å; E17-Y315 HydrophobicContact CG-CE1 4.02Å; E17-Y315 HydrophobicContact CG-CG 4.08Å
18M98.2Very high98Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-65.5-34.5-172.9-168.168.5-144.600111.2V21 I22 T310 V311 H314 Y315 H318 T326 T393M18-V21 HydrophobicContact CE-CG1 4.46Å; M18-V21 PolarHBondContact O-N 2.85Å; M18-I22 HydrophobicContact CE-CD1 4.26Å; M18-I22 HydrophobicContact CE-CG1 4.17Å; M18-I22 HydrophobicContact CG-CD1 4.14Å; M18-I22 WeakPolarHBondContact O-CG1 3.48Å; M18-I22 PolarHBondContact O-N 3.39Å; M18-T310 PolarHBondContact N-O 3.46Å; M18-V311 HydrophobicContact CB-CB 4.22Å; M18-H314 HydrophobicContact CG-CB 4.15Å; M18-H314 HydrophobicContact SD-CB 4.4Å; M18-Y315 HydrophobicContact CB-CD2 4.47Å; M18-Y315 VanDerWaalsContact N-CD2 3.33Å; M18-H318 HydrophobicContact SD-CB 4.1Å; M18-T326 HydrophobicContact CG-CG2 4.1Å; M18-T326 WeakPolarHBondContact CG-OG1 3.25Å; M18-T393 HydrophobicContact CE-CG2 4.04Å
19T97.4Very high98.2Very high1 Ų122 Ų221%0.00611%0.108CC..Hα-helixtrans-66.1-36.6176.940.70000112.1D16 E17 V21 I22 W23 C73 A74 T310 V311D16-T19 PolarHBondContact O-N 3.46Å; D16-T19 PolarHBondContact O-OG1 3.13Å; E17-T19 VanDerWaalsContact C-N 3.26Å; E17-T19 PolarHBondContact O-N 3.05Å; T19-V21 PolarHBondContact O-N 3.4Å; T19-I22 PolarHBondContact O-N 2.89Å; T19-W23 WeakPolarHBondContact O-CB 3.31Å; T19-W23 PolarHBondContact O-N 3.45Å; T19-C73 VanDerWaalsContact C-SG 3.59Å; T19-A74 HydrophobicContact CG2-CB 3.98Å; T19-T310 WeakPolarHBondContact OG1-CA 3.37Å; T19-V311 HydrophobicContact CG2-CG2 4.36Å
20R98.4Very high98.2Very high74 Ų7420.7 Ų20.728%0.27910%0.099SC..Hα-helixtrans-61.5-42.8173.4-168-174.8-174.4104.9-6.9111.8G15 D16 E17 I22 W23 E24 D43G15-R20 VanDerWaalsContact O-CD 3.25Å; G15-R20 WeakPolarHBondContact O-CD 3.35Å; G15-R20 WeakPolarHBondContact O-CG 3.41Å; G15-R20 PolarHBondContact O-NH1 2.95Å; D16-R20 PolarHBondContact O-N 2.92Å; E17-R20 PolarHBondContact O-N 3.13Å; R20-I22 PolarHBondContact O-N 3.11Å; R20-W23 WeakPolarHBondContact O-CB 3.38Å; R20-W23 PolarHBondContact O-N 3.16Å; R20-E24 PolarHBondContact O-N 3.15Å; R20-D43 IonicContact CZ-OD1 2.77Å; R20-D43 IonicContact CZ-OD2 3.68Å; R20-D43 IonicContact NH1-OD1 2.79Å; R20-D43 PolarHBondContact NH1-OD1 3.18Å; R20-D43 IonicContact NH1-OD2 3.2Å; R20-D43 PolarHBondContact NH1-OD2 3.3Å; R20-D43 IonicContact NH2-OD1 3.24Å; R20-D43 IonicContact NH2-OD2 3.75Å; R20-D43 PolarHBondContact NH2-OD2 2.94Å
21V98.4Very high98.2Very high36 Ų3620.7 Ų20.722%0.21810%0.099CC..Hα-helixtrans-60.4-47.2176.3178.10000111.1E17 M18 T19 W23 L25 Y315 F394E17-V21 PolarHBondContact O-N 2.92Å; M18-V21 HydrophobicContact CE-CG1 4.46Å; M18-V21 PolarHBondContact O-N 2.85Å; T19-V21 PolarHBondContact O-N 3.4Å; V21-W23 VanDerWaalsContact C-N 3.31Å; V21-W23 PolarHBondContact O-N 3.17Å; V21-L25 HydrophobicContact CG1-CD1 4.47Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.43Å; V21-Y315 HydrophobicContact CG2-CE2 4.4Å; V21-F394 HydrophobicContact CG1-CE1 4.28Å; V21-F394 HydrophobicContact CG1-CZ 4.3Å
22I98.3Very high98.1Very high1 Ų123.9 Ų23.91%0.00511%0.113CC..Hα-helixtrans-64.8-38177.8-69.1167.1000111.2M18 T19 R20 E24 L25 I26 T326 P328 T393 L397M18-I22 HydrophobicContact CE-CD1 4.26Å; M18-I22 HydrophobicContact CE-CG1 4.17Å; M18-I22 HydrophobicContact CG-CD1 4.14Å; M18-I22 WeakPolarHBondContact O-CG1 3.48Å; M18-I22 PolarHBondContact O-N 3.39Å; T19-I22 PolarHBondContact O-N 2.89Å; R20-I22 PolarHBondContact O-N 3.11Å; I22-E24 PolarHBondContact O-N 2.89Å; I22-L25 PolarHBondContact O-N 2.68Å; I22-I26 HydrophobicContact CG2-CD1 3.61Å; I22-I26 HydrophobicContact CG2-CG1 4.12Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.46Å; I22-I26 PolarHBondContact O-N 3.22Å; I22-T326 HydrophobicContact CD1-CG2 3.55Å; I22-P328 HydrophobicContact CG2-CB 3.61Å; I22-T393 HydrophobicContact CD1-CG2 3.8Å; I22-T393 HydrophobicContact CG1-CG2 3.64Å; I22-L397 HydrophobicContact CG2-CD1 4.48Å
23W98.4Very high98.1Very high1 Ų126.6 Ų26.60%0.00413%0.131CC..Hα-helixtrans-60.1-46.6-178.3-165.2-102.8000112.4E12 T19 R20 V21 I26 K27 I71 C73 A334 W335E12-W23 HydrophobicContact CG-CZ2 4.38Å; E12-W23 PolarHBondContact OE1-NE1 3.12Å; T19-W23 WeakPolarHBondContact O-CB 3.31Å; T19-W23 PolarHBondContact O-N 3.45Å; R20-W23 WeakPolarHBondContact O-CB 3.38Å; R20-W23 PolarHBondContact O-N 3.16Å; V21-W23 VanDerWaalsContact C-N 3.31Å; V21-W23 PolarHBondContact O-N 3.17Å; W23-I26 PolarHBondContact O-N 2.89Å; W23-K27 PolarHBondContact O-N 2.72Å; W23-K27 VanDerWaalsContact O-N 3.07Å; W23-I71 HydrophobicContact CH2-CB 4.45Å; W23-I71 HydrophobicContact CH2-CG2 3.54Å; W23-I71 HydrophobicContact CZ2-CG2 3.98Å; W23-C73 HydrophobicContact CD2-CB 3.73Å; W23-C73 HydrophobicContact CE3-CB 3.85Å; W23-C73 HydrophobicContact CG-CB 4.07Å; W23-C73 HydrophobicContact CH2-CB 4.46Å; W23-C73 HydrophobicContact CZ2-CB 4.4Å; W23-C73 HydrophobicContact CZ3-CB 4.23Å; W23-A334 HydrophobicContact CZ3-CB 4.49Å; W23-W335 AromaticContact CD2-NE1 3.58Å; W23-W335 AromaticContact CE2-CE2 3.77Å; W23-W335 AromaticContact CE2-CZ2 3.71Å; W23-W335 AromaticContact CE2-NE1 3.33Å; W23-W335 VanDerWaalsContact CE2-NE1 3.33Å; W23-W335 AromaticContact CE3-NE1 3.61Å; W23-W335 AromaticContact CH2-CD1 3.67Å; W23-W335 AromaticContact CH2-CE2 3.92Å; W23-W335 HydrophobicContact CH2-CZ2 4.47Å; W23-W335 AromaticContact CH2-NE1 3.25Å; W23-W335 AromaticContact CZ2-CE2 3.5Å; W23-W335 VanDerWaalsContact CZ2-CE2 3.5Å; W23-W335 AromaticContact CZ2-CZ2 3.62Å; W23-W335 HydrophobicContact CZ2-CZ2 3.62Å; W23-W335 AromaticContact CZ2-NE1 3.17Å; W23-W335 AromaticContact CZ3-CD1 3.69Å; W23-W335 AromaticContact CZ3-NE1 3.45Å; W23-W335 AromaticContact NE1-CZ2 3.75Å
24E98.1Very high98Very high62 Ų6228.9 Ų28.929%0.2914%0.14SC..Hα-helixtrans-62.5-43175-63.8-50.9129.700111.5R20 I22 I26 K27 D28R20-E24 PolarHBondContact O-N 3.15Å; I22-E24 PolarHBondContact O-N 2.89Å; E24-I26 PolarHBondContact O-N 3.44Å; E24-K27 VanDerWaalsContact CD-CE 3.4Å; E24-K27 WeakPolarHBondContact O-CB 3.49Å; E24-K27 PolarHBondContact O-N 2.97Å; E24-K27 VanDerWaalsContact OE1-CE 3.26Å; E24-K27 WeakPolarHBondContact OE1-CE 3.41Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 3.42Å; E24-K27 WeakPolarHBondContact OE2-CE 3.45Å; E24-K27 IonicContact OE2-NZ 2.76Å; E24-K27 PolarHBondContact OE2-NZ 3.26Å; E24-D28 WeakPolarHBondContact O-CB 3.33Å; E24-D28 PolarHBondContact O-N 3.28Å
25L98.1Very high97.9Very high30 Ų3027.5 Ų27.516%0.15713%0.133CC..Hα-helixtrans-64-38.3177.7-66170.5000113V21 I22 K29 F394 L397V21-L25 HydrophobicContact CG1-CD1 4.47Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 3.43Å; I22-L25 PolarHBondContact O-N 2.68Å; L25-K29 VanDerWaalsContact O-CB 3.24Å; L25-K29 WeakPolarHBondContact O-CB 3.3Å; L25-K29 WeakPolarHBondContact O-CG 3.42Å; L25-K29 PolarHBondContact O-N 3.3Å; L25-F394 HydrophobicContact CD1-CD1 3.57Å; L25-F394 HydrophobicContact CD1-CE1 3.66Å; L25-L397 HydrophobicContact CB-CD1 3.74Å; L25-L397 HydrophobicContact CD1-CD1 3.73Å; L25-L397 HydrophobicContact CG-CD1 4.41Å
26I98.6Very high97.9Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-61.3-48.2174.5-70.2166.7000109.4I22 W23 E24 D28 L30 I31 I332 W335 L397I22-I26 HydrophobicContact CG2-CD1 3.61Å; I22-I26 HydrophobicContact CG2-CG1 4.12Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.46Å; I22-I26 PolarHBondContact O-N 3.22Å; W23-I26 PolarHBondContact O-N 2.89Å; E24-I26 PolarHBondContact O-N 3.44Å; I26-D28 PolarHBondContact O-N 3.42Å; I26-L30 HydrophobicContact CG1-CD1 4.42Å; I26-L30 HydrophobicContact CG2-CB 4.5Å; I26-L30 HydrophobicContact CG2-CD1 4.46Å; I26-L30 WeakPolarHBondContact O-CA 3.02Å; I26-L30 VanDerWaalsContact O-CB 3.29Å; I26-L30 WeakPolarHBondContact O-CB 3.45Å; I26-L30 PolarHBondContact O-N 3.09Å; I26-I31 HydrophobicContact CG2-CD1 4.42Å; I26-I31 HydrophobicContact CG2-CG1 3.96Å; I26-I31 PolarHBondContact O-N 3.06Å; I26-I31 VanDerWaalsContact O-N 3.16Å; I26-I332 HydrophobicContact CD1-CG1 3.59Å; I26-I332 HydrophobicContact CG1-CD1 4.5Å; I26-I332 HydrophobicContact CG1-CG1 3.71Å; I26-I332 HydrophobicContact CG2-CG1 4.29Å; I26-W335 HydrophobicContact CG2-CG 4.26Å; I26-L397 HydrophobicContact CG1-CD2 4.02Å
27K98Very high97.7Very high8 Ų833.2 Ų33.24%0.03516%0.16CC..Iπ-helixtrans-57.6-52177.8-76.2-171.8-62.3-174.40111.8E12 W23 E24 I31 F32 W335E12-K27 VanDerWaalsContact OE1-CD 3.27Å; E12-K27 WeakPolarHBondContact OE1-CD 3.39Å; E12-K27 VanDerWaalsContact OE1-CE 3.32Å; E12-K27 WeakPolarHBondContact OE1-CE 3.41Å; E12-K27 IonicContact OE1-NZ 2.85Å; E12-K27 PolarHBondContact OE1-NZ 3.41Å; E12-K27 IonicContact OE2-NZ 3.62Å; W23-K27 PolarHBondContact O-N 2.72Å; W23-K27 VanDerWaalsContact O-N 3.07Å; E24-K27 VanDerWaalsContact CD-CE 3.4Å; E24-K27 WeakPolarHBondContact O-CB 3.49Å; E24-K27 PolarHBondContact O-N 2.97Å; E24-K27 VanDerWaalsContact OE1-CE 3.26Å; E24-K27 WeakPolarHBondContact OE1-CE 3.41Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 3.42Å; E24-K27 WeakPolarHBondContact OE2-CE 3.45Å; E24-K27 IonicContact OE2-NZ 2.76Å; E24-K27 PolarHBondContact OE2-NZ 3.26Å; K27-I31 PolarHBondContact O-N 2.98Å; K27-F32 HydrophobicContact CB-CD2 3.9Å; K27-F32 HydrophobicContact CB-CE2 3.68Å; K27-F32 HydrophobicContact CB-CZ 4.18Å; K27-F32 HydrophobicContact CD-CE2 3.84Å; K27-F32 HydrophobicContact CD-CZ 3.76Å; K27-F32 HydrophobicContact CG-CE2 4.14Å; K27-F32 HydrophobicContact CG-CZ 4.16Å; K27-F32 WeakPolarHBondContact O-CB 3.38Å; K27-F32 PolarHBondContact O-N 2.6Å; K27-W335 HydrophobicContact CD-CH2 4.15Å; K27-W335 HydrophobicContact CD-CZ2 3.77Å; K27-W335 HydrophobicContact CG-CH2 4.06Å; K27-W335 HydrophobicContact CG-CZ2 3.53Å
28D97.9Very high97.6Very high99 Ų9936.4 Ų36.453%0.52918%0.178SC..Iπ-helixtrans-68.9-38.1-174-73.1-13.8000113.4E24 I26 P33E24-D28 WeakPolarHBondContact O-CB 3.33Å; E24-D28 PolarHBondContact O-N 3.28Å; I26-D28 PolarHBondContact O-N 3.42Å; D28-P33 VanDerWaalsContact O-CD 3.24Å; D28-P33 WeakPolarHBondContact O-CD 3.43Å; D28-P33 WeakPolarHBondContact O-CG 3.35Å
29K98.3Very high97.5Very high67 Ų6738.3 Ų38.329%0.29119%0.188SC..Iπ-helixtrans-97.5-32.7-172.9-62.7177.8179.7-78.40113.6L25 D398 A401L25-K29 VanDerWaalsContact O-CB 3.24Å; L25-K29 WeakPolarHBondContact O-CB 3.3Å; L25-K29 WeakPolarHBondContact O-CG 3.42Å; L25-K29 PolarHBondContact O-N 3.3Å; K29-D398 VanDerWaalsContact CE-OD1 3.24Å; K29-D398 WeakPolarHBondContact CE-OD1 3.5Å; K29-D398 IonicContact NZ-OD1 3.7Å; K29-D398 PolarHBondContact NZ-OD1 3.13Å; K29-A401 HydrophobicContact CB-CB 4.17Å
30L98.4Very high97.6Very high0 Ų040.3 Ų40.30%020%0.197CC..Iπ-helixtrans-115.2-26.5-167.7-53.6177.6000113.3I26 Y34 I332 F354 L358 L397 L400 A401 L404I26-L30 HydrophobicContact CG1-CD1 4.42Å; I26-L30 HydrophobicContact CG2-CB 4.5Å; I26-L30 HydrophobicContact CG2-CD1 4.46Å; I26-L30 WeakPolarHBondContact O-CA 3.02Å; I26-L30 VanDerWaalsContact O-CB 3.29Å; I26-L30 WeakPolarHBondContact O-CB 3.45Å; I26-L30 PolarHBondContact O-N 3.09Å; L30-Y34 VanDerWaalsContact O-CD2 3.32Å; L30-Y34 WeakPolarHBondContact O-CD2 3.21Å; L30-I332 HydrophobicContact CD1-CD1 3.64Å; L30-I332 HydrophobicContact CD1-CG1 3.92Å; L30-F354 WeakPolarHBondContact O-CZ 3.43Å; L30-L358 HydrophobicContact CB-CD2 4.39Å; L30-L358 HydrophobicContact CD1-CD1 4.45Å; L30-L397 HydrophobicContact CD1-CD2 4.01Å; L30-L400 HydrophobicContact CD2-CB 4.32Å; L30-A401 HydrophobicContact CD2-CB 3.77Å; L30-L404 HydrophobicContact CD2-CD2 4.21Å
31I98.1Very high97.5Very high0 Ų039.8 Ų39.80%021%0.205CC..Iπ-helixtrans-107-67-174-52.1-58.4000112I26 K27 Y34 L35 L37 W335 L339 F354 L358I26-I31 HydrophobicContact CG2-CD1 4.42Å; I26-I31 HydrophobicContact CG2-CG1 3.96Å; I26-I31 PolarHBondContact O-N 3.06Å; I26-I31 VanDerWaalsContact O-N 3.16Å; K27-I31 PolarHBondContact O-N 2.98Å; I31-Y34 PolarHBondContact O-N 2.91Å; I31-L35 HydrophobicContact CG2-CD1 4.01Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 PolarHBondContact O-N 3.21Å; I31-L37 HydrophobicContact CG2-CD1 3.84Å; I31-W335 HydrophobicContact CD1-CB 4.11Å; I31-W335 HydrophobicContact CD1-CD2 4.44Å; I31-W335 HydrophobicContact CD1-CE3 4.48Å; I31-W335 HydrophobicContact CD1-CG 4.31Å; I31-W335 HydrophobicContact CG1-CD2 4.17Å; I31-W335 HydrophobicContact CG1-CE3 4.25Å; I31-W335 HydrophobicContact CG1-CG 4.36Å; I31-W335 HydrophobicContact CG2-CE3 4.25Å; I31-W335 HydrophobicContact CG2-CZ3 4.27Å; I31-L339 HydrophobicContact CD1-CD1 4.32Å; I31-F354 HydrophobicContact CD1-CE1 4.48Å; I31-L358 HydrophobicContact CD1-CD2 3.96Å
32F96.8Very high97.6Very high67 Ų6740 Ų4029%0.29420%0.203SC..THydrogen-bonded Turntrans-64.4-24.6-173-64.7-27.7000116K4 K27 Y34 L37 L39K4-F32 WeakPolarHBondContact CE-O 3.34Å; K4-F32 PolarHBondContact NZ-O 3.04Å; K27-F32 HydrophobicContact CB-CD2 3.9Å; K27-F32 HydrophobicContact CB-CE2 3.68Å; K27-F32 HydrophobicContact CB-CZ 4.18Å; K27-F32 HydrophobicContact CD-CE2 3.84Å; K27-F32 HydrophobicContact CD-CZ 3.76Å; K27-F32 HydrophobicContact CG-CE2 4.14Å; K27-F32 HydrophobicContact CG-CZ 4.16Å; K27-F32 WeakPolarHBondContact O-CB 3.38Å; K27-F32 PolarHBondContact O-N 2.6Å; F32-Y34 PolarHBondContact O-N 2.88Å; F32-L37 HydrophobicContact CE1-CD1 4.25Å; F32-L39 HydrophobicContact CE1-CD2 4.22Å; F32-L39 HydrophobicContact CZ-CD2 3.93Å
33P97.1Very high97.6Very high58 Ų5842.1 Ų42.138%0.37721%0.214SC..THydrogen-bonded Turntrans-62.5-26.4171.1-26.637.2000113.3D28D28-P33 VanDerWaalsContact O-CD 3.24Å; D28-P33 WeakPolarHBondContact O-CD 3.43Å; D28-P33 WeakPolarHBondContact O-CG 3.35Å
34Y97.3Very high97.6Very high48 Ų4842.1 Ų42.119%0.18821%0.214CC..THydrogen-bonded Turntrans-112.1-27.5-171.5-53.3-79.4000113.3K4 I5 L30 I31 F32 F354 L404 L408K4-Y34 CarbonylContact C-O 3.57Å; K4-Y34 WeakPolarHBondContact CA-O 3.24Å; K4-Y34 WeakPolarHBondContact CB-O 3.45Å; I5-Y34 PolarHBondContact N-O 2.83Å; L30-Y34 VanDerWaalsContact O-CD2 3.32Å; L30-Y34 WeakPolarHBondContact O-CD2 3.21Å; I31-Y34 PolarHBondContact O-N 2.91Å; F32-Y34 PolarHBondContact O-N 2.88Å; Y34-F354 VanDerWaalsContact CB-CE2 3.48Å; Y34-F354 AromaticContact CD2-CE2 3.84Å; Y34-F354 HydrophobicContact CD2-CE2 3.84Å; Y34-F354 HydrophobicContact CD2-CZ 4.33Å; Y34-F354 HydrophobicContact CG-CD2 4.47Å; Y34-F354 AromaticContact CG-CE2 3.72Å; Y34-F354 HydrophobicContact CG-CE2 3.72Å; Y34-L404 HydrophobicContact CD2-CD2 4.06Å; Y34-L404 HydrophobicContact CE2-CD2 3.53Å; Y34-L404 HydrophobicContact CE2-CG 4.27Å; Y34-L408 HydrophobicContact CD1-CD1 3.56Å; Y34-L408 HydrophobicContact CE1-CD1 3.62Å; Y34-L408 HydrophobicContact CG-CD1 4.1Å
35L97.1Very high97.6Very high2 Ų239.3 Ų39.31%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-115.4145.1-173.2-53.4-170.3000113.5I5 I31 L37 L339 L351 F354I5-L35 HydrophobicContact CB-CD2 3.68Å; I5-L35 HydrophobicContact CD1-CD2 3.99Å; I5-L35 HydrophobicContact CG1-CD2 4.31Å; I5-L35 HydrophobicContact CG2-CD2 4.23Å; I5-L35 WeakPolarHBondContact O-CA 3.3Å; I31-L35 HydrophobicContact CG2-CD1 4.01Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 PolarHBondContact O-N 3.21Å; L35-L37 HydrophobicContact CB-CD2 3.86Å; L35-L37 HydrophobicContact CB-CG 4.06Å; L35-L37 HydrophobicContact CD1-CD2 3.83Å; L35-L339 HydrophobicContact CD1-CD1 3.62Å; L35-L339 HydrophobicContact CD1-CD2 4.17Å; L35-L351 HydrophobicContact CD1-CD1 3.77Å; L35-L351 HydrophobicContact CD2-CD1 3.95Å; L35-F354 HydrophobicContact CD1-CD1 3.89Å; L35-F354 HydrophobicContact CD1-CE1 3.58Å; L35-F354 HydrophobicContact CD1-CZ 4.29Å; L35-F354 HydrophobicContact CD2-CD1 3.77Å; L35-F354 HydrophobicContact CD2-CD2 4.35Å; L35-F354 HydrophobicContact CD2-CE1 4.01Å; L35-F354 HydrophobicContact CD2-CG 3.96Å; L35-F354 HydrophobicContact CD2-CZ 4.37Å; L35-F354 HydrophobicContact CG-CD1 4.15Å; L35-F354 HydrophobicContact CG-CE1 3.87Å; L35-F354 HydrophobicContact CG-CZ 4.15Å
36E96.3Very high97.6Very high104 Ų10437.9 Ų37.949%0.48620%0.195SC..EExtended strand (participates in β ladder)trans-109.1103164.2-174.9-177.2176.300107.4K4 I5 K6 A7K4-E36 HydrophobicContact CB-CB 4.21Å; I5-E36 PolarHBondContact O-N 2.78Å; K6-E36 WeakPolarHBondContact CA-O 3.11Å; K6-E36 VanDerWaalsContact CE-OE2 3.25Å; K6-E36 WeakPolarHBondContact CE-OE2 3.41Å; K6-E36 HydrophobicContact CG-CB 4.41Å; A7-E36 PolarHBondContact N-O 2.84Å
37L94.2Very high97.6Very high29 Ų2945.2 Ų45.215%0.15223%0.229CC..EExtended strand (participates in β ladder)trans-103.8137.6-174.1-57.9-177.5000111.1A7 I31 F32 L35 L39 W335 L339A7-L37 HydrophobicContact CB-CD2 3.37Å; I31-L37 HydrophobicContact CG2-CD1 3.84Å; F32-L37 HydrophobicContact CE1-CD1 4.25Å; L35-L37 HydrophobicContact CB-CD2 3.86Å; L35-L37 HydrophobicContact CB-CG 4.06Å; L35-L37 HydrophobicContact CD1-CD2 3.83Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 HydrophobicContact CB-CB 4.33Å; L37-L39 HydrophobicContact CD1-CD1 4.2Å; L37-L39 PolarHBondContact O-N 3.03Å; L37-L39 VanDerWaalsContact O-N 3.14Å; L37-W335 HydrophobicContact CD1-CZ3 3.89Å; L37-L339 HydrophobicContact CD2-CD2 3.98Å
38D96.1Very high97.6Very high78 Ų7847.3 Ų47.342%0.41724%0.241SC..EExtended strand (participates in β ladder)trans-78.185.4159179.930.2000108.9S9 V10 H40S9-D38 VanDerWaalsContact CA-O 3.28Å; S9-D38 WeakPolarHBondContact CA-O 3.45Å; S9-D38 WeakPolarHBondContact CB-OD2 3.41Å; S9-D38 PolarHBondContact OG-OD2 3.02Å; V10-D38 PolarHBondContact N-O 3.31Å; D38-H40 IonicContact OD1-CE1 3.04Å; D38-H40 IonicContact OD1-NE2 4Å; D38-H40 IonicContact OD2-NE2 2.77Å
39L97Very high97.6Very high40 Ų4042.6 Ų42.621%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-97.1119.7-170.3-160.770.3000111.4V10 E12 F32 L37 W335V10-L39 HydrophobicContact CB-CD1 4.22Å; V10-L39 HydrophobicContact CG1-CD1 4.21Å; V10-L39 WeakPolarHBondContact O-CA 3.39Å; E12-L39 HydrophobicContact CB-CD1 3.9Å; E12-L39 HydrophobicContact CB-CD2 4.14Å; E12-L39 HydrophobicContact CB-CG 3.97Å; E12-L39 WeakPolarHBondContact OE2-CD2 3.44Å; F32-L39 HydrophobicContact CE1-CD2 4.22Å; F32-L39 HydrophobicContact CZ-CD2 3.93Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 HydrophobicContact CB-CB 4.33Å; L37-L39 HydrophobicContact CD1-CD1 4.2Å; L37-L39 PolarHBondContact O-N 3.03Å; L37-L39 VanDerWaalsContact O-N 3.14Å; L39-W335 HydrophobicContact CD1-CH2 4.13Å; L39-W335 HydrophobicContact CD1-CZ3 4.31Å; L39-W335 HydrophobicContact CD2-CH2 4.46Å
40H98.3Very high97.6Very high43 Ų4340.4 Ų40.420%0.19921%0.207CC..EExtended strand (participates in β ladder)trans-98.396.4171.6-55.7-67.1000109.5V10 V11 E12 D38 F42 Y67V10-H40 PolarHBondContact O-N 3.37Å; V11-H40 CarbonylContact C-O 3.55Å; V11-H40 WeakPolarHBondContact CA-O 3.4Å; V11-H40 HydrophobicContact CG2-CB 4.29Å; E12-H40 PolarHBondContact N-O 3.05Å; D38-H40 IonicContact OD1-CE1 3.04Å; D38-H40 IonicContact OD1-NE2 4Å; D38-H40 IonicContact OD2-NE2 2.77Å; H40-F42 HydrophobicContact CB-CE2 4.11Å; H40-F42 WeakPolarHBondContact O-CD2 3.35Å; H40-Y67 HydrophobicContact CB-CE2 4.48Å; H40-Y67 AromaticContact CD2-CD2 3.4Å; H40-Y67 WeakPolarHBondContact CD2-CD2 3.33Å; H40-Y67 AromaticContact CD2-CE2 3.34Å; H40-Y67 WeakPolarHBondContact CD2-CE2 3.42Å; H40-Y67 AromaticContact CD2-CG 3.78Å; H40-Y67 AromaticContact CD2-CZ 3.68Å; H40-Y67 AromaticContact CE1-CE2 3.92Å; H40-Y67 AromaticContact CE1-CZ 3.6Å; H40-Y67 AromaticContact CG-CE2 3.71Å; H40-Y67 AromaticContact NE2-CD1 3.76Å; H40-Y67 AromaticContact NE2-CD2 3.82Å; H40-Y67 AromaticContact NE2-CE1 3.41Å; H40-Y67 WeakPolarHBondContact NE2-CE1 3.44Å; H40-Y67 AromaticContact NE2-CE2 3.45Å; H40-Y67 WeakPolarHBondContact NE2-CE2 3.48Å; H40-Y67 AromaticContact NE2-CG 3.95Å; H40-Y67 AromaticContact NE2-CZ 3.23Å
41S98Very high97.6Very high63 Ų6343.6 Ų43.644%0.44123%0.233SC..EExtended strand (participates in β ladder)trans-90.7131.8-174-58.30000113.1E12E12-S41 CarbonylContact O-C 3.56Å; E12-S41 WeakPolarHBondContact O-CA 3.4Å; E12-S41 WeakPolarHBondContact OE2-CB 3.46Å; E12-S41 PolarHBondContact OE2-OG 3.39Å
42F98.8Very high97.6Very high39 Ų3945.9 Ų45.917%0.17125%0.247CC..EExtended strand (participates in β ladder)trans-125.1127.1174.2-64.2-95.9000109.3V11 E12 M13 Q14 H40 L44 V56 E59 A60 A63V11-F42 HydrophobicContact CG1-CD2 3.67Å; V11-F42 HydrophobicContact CG1-CE2 3.81Å; E12-F42 PolarHBondContact O-N 3.02Å; M13-F42 WeakPolarHBondContact CA-O 3.47Å; Q14-F42 PolarHBondContact N-O 2.9Å; H40-F42 HydrophobicContact CB-CE2 4.11Å; H40-F42 WeakPolarHBondContact O-CD2 3.35Å; F42-L44 HydrophobicContact CB-CD2 4.4Å; F42-L44 PolarHBondContact O-N 3.03Å; F42-V56 HydrophobicContact CB-CG2 4.2Å; F42-V56 HydrophobicContact CD1-CG2 4.24Å; F42-E59 HydrophobicContact CD1-CB 4.3Å; F42-E59 HydrophobicContact CE1-CB 3.9Å; F42-A60 HydrophobicContact CB-CB 3.76Å; F42-A60 HydrophobicContact CD1-CB 4.01Å; F42-A60 HydrophobicContact CD2-CB 4.1Å; F42-A60 HydrophobicContact CG-CB 3.68Å; F42-A63 HydrophobicContact CE2-CB 3.47Å; F42-A63 VanDerWaalsContact CE2-CB 3.47Å; F42-A63 HydrophobicContact CZ-CB 3.47Å; F42-A63 VanDerWaalsContact CZ-CB 3.47Å
43D98.6Very high97.7Very high47 Ų4747.1 Ų47.125%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-87.2101.7177.6-168.9-8.5000110.6R20 G45 N48R20-D43 IonicContact CZ-OD1 2.77Å; R20-D43 IonicContact CZ-OD2 3.68Å; R20-D43 IonicContact NH1-OD1 2.79Å; R20-D43 PolarHBondContact NH1-OD1 3.18Å; R20-D43 IonicContact NH1-OD2 3.2Å; R20-D43 PolarHBondContact NH1-OD2 3.3Å; R20-D43 IonicContact NH2-OD1 3.24Å; R20-D43 IonicContact NH2-OD2 3.75Å; R20-D43 PolarHBondContact NH2-OD2 2.94Å; D43-G45 VanDerWaalsContact C-N 3.26Å; D43-G45 WeakPolarHBondContact OD1-CA 3.43Å; D43-G45 PolarHBondContact OD1-N 2.93Å; D43-N48 HydrophobicContact CB-CB 4.31Å; D43-N48 PolarHBondContact O-ND2 3.07Å
44L98.6Very high97.7Very high0 Ų045.1 Ų45.10%024%0.243CC..  trans-91.815.3175.4-50.4-170000112.6M13 Q14 F42 R49 V56 A60 T75 I99M13-L44 HydrophobicContact CB-CD1 3.76Å; M13-L44 HydrophobicContact CB-CG 4.1Å; M13-L44 HydrophobicContact CG-CD1 3.77Å; M13-L44 HydrophobicContact CG-CG 4.23Å; M13-L44 HydrophobicContact SD-CD1 3.93Å; Q14-L44 CarbonylContact O-C 3.51Å; Q14-L44 WeakPolarHBondContact O-CA 3.44Å; Q14-L44 WeakPolarHBondContact O-CB 3.35Å; Q14-L44 PolarHBondContact O-N 2.99Å; F42-L44 HydrophobicContact CB-CD2 4.4Å; F42-L44 PolarHBondContact O-N 3.03Å; L44-R49 VanDerWaalsContact O-CD 3.31Å; L44-R49 WeakPolarHBondContact O-CD 3.24Å; L44-R49 PolarHBondContact O-NE 3.5Å; L44-V56 HydrophobicContact CD2-CB 4.37Å; L44-V56 HydrophobicContact CD2-CG1 3.87Å; L44-V56 HydrophobicContact CD2-CG2 3.97Å; L44-A60 HydrophobicContact CD2-CB 4.11Å; L44-T75 HydrophobicContact CB-CG2 3.75Å; L44-I99 HydrophobicContact CD1-CD1 3.99Å
45G98.2Very high97.7Very high4 Ų447.3 Ų47.34%0.04126%0.255CS..  trans-55.5146170.500000111.6D16 D43 E47 N48 R49D16-G45 WeakPolarHBondContact OD1-CA 3.5Å; D43-G45 VanDerWaalsContact C-N 3.26Å; D43-G45 WeakPolarHBondContact OD1-CA 3.43Å; D43-G45 PolarHBondContact OD1-N 2.93Å; G45-E47 VanDerWaalsContact C-N 3.29Å; G45-E47 PolarHBondContact O-N 2.98Å; G45-N48 PolarHBondContact O-N 3.35Å; G45-N48 VanDerWaalsContact O-N 3.09Å; G45-R49 PolarHBondContact O-N 3.46Å
46M98.2Very high97.8Very high0 Ų047.7 Ų47.70%026%0.257CS..Hα-helixtrans-53.1-44.5-173-179.95873.200112.7D16 R49 D50 I76 P78 F86 L88D16-M46 PolarHBondContact OD1-N 3.36Å; M46-R49 PolarHBondContact O-N 3.39Å; M46-D50 PolarHBondContact O-N 2.94Å; M46-I76 HydrophobicContact CB-CD1 4.44Å; M46-I76 HydrophobicContact CE-CB 3.58Å; M46-I76 HydrophobicContact CE-CG2 3.32Å; M46-I76 WeakPolarHBondContact CE-O 3.03Å; M46-P78 HydrophobicContact CE-CB 3.66Å; M46-P78 HydrophobicContact CE-CG 3.85Å; M46-P78 HydrophobicContact SD-CB 4.35Å; M46-P78 HydrophobicContact SD-CG 4.36Å; M46-F86 HydrophobicContact CB-CD1 4.14Å; M46-F86 HydrophobicContact CB-CE1 4.07Å; M46-F86 HydrophobicContact CB-CZ 4.42Å; M46-F86 HydrophobicContact CG-CB 4.19Å; M46-F86 HydrophobicContact CG-CD1 3.82Å; M46-F86 HydrophobicContact CG-CD2 4.11Å; M46-F86 HydrophobicContact CG-CE1 4.19Å; M46-F86 HydrophobicContact CG-CE2 4.46Å; M46-F86 HydrophobicContact CG-CG 3.78Å; M46-L88 HydrophobicContact CE-CD1 4.43Å; M46-L88 HydrophobicContact CG-CD1 4.45Å; M46-L88 HydrophobicContact CG-CD2 3.83Å; M46-L88 HydrophobicContact SD-CD1 3.71Å; M46-L88 HydrophobicContact SD-CD2 3.76Å; M46-L88 HydrophobicContact SD-CG 4.42Å
47E97.8Very high97.9Very high153 Ų15342.7 Ų42.772%0.71523%0.234SC*.Hα-helixtrans-64.4-41.7179.9-64.3178.7121.600112G45 D50 A51 F86G45-E47 VanDerWaalsContact C-N 3.29Å; G45-E47 PolarHBondContact O-N 2.98Å; E47-D50 PolarHBondContact O-N 3.19Å; E47-A51 VanDerWaalsContact O-CB 3.32Å; E47-A51 WeakPolarHBondContact O-CB 3.48Å; E47-A51 PolarHBondContact O-N 2.98Å; E47-F86 HydrophobicContact CG-CD1 4.03Å; E47-F86 HydrophobicContact CG-CE1 4.4Å
48N98.6Very high98.1Very high53 Ų5343.6 Ų43.628%0.28324%0.24SC..Hα-helixtrans-73-34.9179-16953.8000112.1D43 G45 A51 T52D43-N48 HydrophobicContact CB-CB 4.31Å; D43-N48 PolarHBondContact O-ND2 3.07Å; G45-N48 PolarHBondContact O-N 3.35Å; G45-N48 VanDerWaalsContact O-N 3.09Å; N48-A51 PolarHBondContact O-N 3.32Å; N48-T52 WeakPolarHBondContact O-CB 3.32Å; N48-T52 WeakPolarHBondContact O-CG2 3.38Å; N48-T52 PolarHBondContact O-N 2.84Å; N48-T52 PolarHBondContact O-OG1 3.33Å
49R98.5Very high98.2Very high0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-63.4-43.5171.5-72.3-169.5-60.8119.12111.4L44 G45 M46 T52 D53 D54 V56 T57 I76 P95L44-R49 VanDerWaalsContact O-CD 3.31Å; L44-R49 WeakPolarHBondContact O-CD 3.24Å; L44-R49 PolarHBondContact O-NE 3.5Å; G45-R49 PolarHBondContact O-N 3.46Å; M46-R49 PolarHBondContact O-N 3.39Å; R49-T52 PolarHBondContact O-N 2.96Å; R49-T52 PolarHBondContact O-OG1 2.91Å; R49-D53 PolarHBondContact O-N 3.44Å; R49-D54 WeakPolarHBondContact CD-OD1 3.38Å; R49-D54 IonicContact NH1-OD1 2.75Å; R49-D54 WeakPolarHBondContact O-CA 3.36Å; R49-D54 PolarHBondContact O-N 3.3Å; R49-V56 HydrophobicContact CG-CG1 3.71Å; R49-T57 WeakPolarHBondContact CD-OG1 3.28Å; R49-I76 PolarHBondContact NH2-O 3.12Å; R49-P95 VanDerWaalsContact CZ-CG 3.43Å; R49-P95 VanDerWaalsContact NH1-CG 3.33Å
50D98.4Very high98.2Very high21 Ų2142.4 Ų42.411%0.11223%0.231CC..Hα-helixtrans-64.3-42.3174.7-169.479.4000112.3M46 E47 T52 D53 L88 K89 W92M46-D50 PolarHBondContact O-N 2.94Å; E47-D50 PolarHBondContact O-N 3.19Å; D50-T52 VanDerWaalsContact C-N 3.32Å; D50-T52 PolarHBondContact O-N 2.97Å; D50-D53 PolarHBondContact O-N 3.46Å; D50-L88 HydrophobicContact CB-CD2 3.82Å; D50-L88 WeakPolarHBondContact OD1-CA 3.49Å; D50-K89 WeakPolarHBondContact O-CE 3.45Å; D50-K89 PolarHBondContact O-NZ 3.23Å; D50-K89 PolarHBondContact OD1-N 2.87Å; D50-W92 PolarHBondContact OD1-NE1 3.43Å
51A98.5Very high98.2Very high66 Ų6640.4 Ų40.455%0.54522%0.222SC..Hα-helixtrans-60.5-40.1178.100000112.8E47 N48E47-A51 VanDerWaalsContact O-CB 3.32Å; E47-A51 WeakPolarHBondContact O-CB 3.48Å; E47-A51 PolarHBondContact O-N 2.98Å; N48-A51 PolarHBondContact O-N 3.32Å
52T98.4Very high98.2Very high49 Ų4940.4 Ų40.430%0.30122%0.215SC..THydrogen-bonded Turntrans-92.39.4-177.6600000114.1N48 R49 D50 D54 Q55 V56N48-T52 WeakPolarHBondContact O-CB 3.32Å; N48-T52 WeakPolarHBondContact O-CG2 3.38Å; N48-T52 PolarHBondContact O-N 2.84Å; N48-T52 PolarHBondContact O-OG1 3.33Å; R49-T52 PolarHBondContact O-N 2.96Å; R49-T52 PolarHBondContact O-OG1 2.91Å; D50-T52 VanDerWaalsContact C-N 3.32Å; D50-T52 PolarHBondContact O-N 2.97Å; T52-D54 PolarHBondContact O-N 3.42Å; T52-Q55 WeakPolarHBondContact O-CB 3.46Å; T52-Q55 PolarHBondContact O-N 2.96Å; T52-V56 HydrophobicContact CG2-CB 4.4Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.45Å
53D97.8Very high98.2Very high93 Ų9339 Ų3950%0.49721%0.21SC..THydrogen-bonded Turntrans53.137.3-174.2-63.1-46.5000113.7R49 D50 Q55 K89 W92R49-D53 PolarHBondContact O-N 3.44Å; D50-D53 PolarHBondContact O-N 3.46Å; D53-Q55 PolarHBondContact O-N 3.16Å; D53-K89 WeakPolarHBondContact OD1-CD 3.46Å; D53-K89 IonicContact OD1-NZ 2.74Å; D53-K89 PolarHBondContact OD1-NZ 2.99Å; D53-K89 IonicContact OD2-NZ 3.89Å; D53-W92 VanDerWaalsContact C-CH2 3.43Å; D53-W92 HydrophobicContact CB-CH2 3.63Å; D53-W92 HydrophobicContact CB-CZ2 4.44Å; D53-W92 HydrophobicContact CB-CZ3 4.27Å; D53-W92 VanDerWaalsContact O-CZ3 3.24Å; D53-W92 WeakPolarHBondContact O-CZ3 3.49Å; D53-W92 WeakPolarHBondContact OD1-CH2 3.48Å
54D96.5Very high98.2Very high16 Ų1636.7 Ų36.79%0.08620%0.198CC..THydrogen-bonded Turntrans63.712.1-176.1-157.738000114.6R49 T52 V56 T57 W92R49-D54 WeakPolarHBondContact CD-OD1 3.38Å; R49-D54 IonicContact NH1-OD1 2.75Å; R49-D54 WeakPolarHBondContact O-CA 3.36Å; R49-D54 PolarHBondContact O-N 3.3Å; T52-D54 PolarHBondContact O-N 3.42Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3.05Å; D54-T57 WeakPolarHBondContact O-CB 3.25Å; D54-T57 PolarHBondContact O-N 3.44Å; D54-T57 WeakPolarHBondContact OD1-CB 3.41Å; D54-T57 PolarHBondContact OD1-OG1 3.03Å; D54-W92 HydrophobicContact CB-CD2 4.13Å; D54-W92 HydrophobicContact CB-CE3 3.5Å; D54-W92 HydrophobicContact CB-CZ3 3.82Å
55Q98.3Very high98.1Very high94 Ų9443.2 Ų43.244%0.43922%0.223SC..Hα-helixtrans-64.8-34.5178.9-17258.737.700112.2T52 D53 T57 V58 E59T52-Q55 WeakPolarHBondContact O-CB 3.46Å; T52-Q55 PolarHBondContact O-N 2.96Å; D53-Q55 PolarHBondContact O-N 3.16Å; Q55-T57 PolarHBondContact O-N 3.47Å; Q55-V58 WeakPolarHBondContact O-CB 3.42Å; Q55-V58 PolarHBondContact O-N 3.45Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.23Å; Q55-E59 WeakPolarHBondContact O-CG 3.19Å; Q55-E59 PolarHBondContact O-N 3.22Å
56V98.6Very high98.1Very high9 Ų951.5 Ų51.56%0.05525%0.253CS..Hα-helixtrans-57.9-32.6176.968.20000112.5F42 L44 R49 T52 D54 A60F42-V56 HydrophobicContact CB-CG2 4.2Å; F42-V56 HydrophobicContact CD1-CG2 4.24Å; L44-V56 HydrophobicContact CD2-CB 4.37Å; L44-V56 HydrophobicContact CD2-CG1 3.87Å; L44-V56 HydrophobicContact CD2-CG2 3.97Å; R49-V56 HydrophobicContact CG-CG1 3.71Å; T52-V56 HydrophobicContact CG2-CB 4.4Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.45Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3.05Å; V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.21Å; V56-A60 PolarHBondContact O-N 3.36Å
57T98.3Very high98.1Very high0 Ų054.3 Ų54.30%026%0.264CS..Hα-helixtrans-66.6-41.2176.9-58.50000111.4R49 D54 Q55 A61 P95 T98 I99R49-T57 WeakPolarHBondContact CD-OG1 3.28Å; D54-T57 WeakPolarHBondContact O-CB 3.25Å; D54-T57 PolarHBondContact O-N 3.44Å; D54-T57 WeakPolarHBondContact OD1-CB 3.41Å; D54-T57 PolarHBondContact OD1-OG1 3.03Å; Q55-T57 PolarHBondContact O-N 3.47Å; T57-A61 PolarHBondContact O-N 2.83Å; T57-P95 HydrophobicContact CG2-CB 3.93Å; T57-T98 HydrophobicContact CG2-CG2 3.78Å; T57-I99 HydrophobicContact CG2-CD1 4.48Å; T57-I99 HydrophobicContact CG2-CG1 4.18Å
58V97.9Very high98.1Very high47 Ų4747.8 Ų47.829%0.28523%0.234SC..Hα-helixtrans-68.9-45.2177.6177.60000110.3Q55 A60 A61 E62 T98 I102Q55-V58 WeakPolarHBondContact O-CB 3.42Å; Q55-V58 PolarHBondContact O-N 3.45Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 2.87Å; V58-A61 PolarHBondContact O-N 3.2Å; V58-E62 WeakPolarHBondContact O-CG 3.31Å; V58-E62 PolarHBondContact O-N 3.18Å; V58-T98 HydrophobicContact CG2-CG2 4.04Å; V58-I102 HydrophobicContact CB-CD1 4.24Å; V58-I102 HydrophobicContact CG1-CD1 3.93Å; V58-I102 HydrophobicContact CG2-CD1 4.24Å
59E98.6Very high98.1Very high94 Ų9445.2 Ų45.244%0.43922%0.22SC..Hα-helixtrans-61.4-40.8178.3-69.7174.4179.500112.3F42 Q55 E62 A63F42-E59 HydrophobicContact CD1-CB 4.3Å; F42-E59 HydrophobicContact CE1-CB 3.9Å; Q55-E59 HydrophobicContact CG-CG 4.3Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.23Å; Q55-E59 WeakPolarHBondContact O-CG 3.19Å; Q55-E59 PolarHBondContact O-N 3.22Å; E59-E62 PolarHBondContact O-N 3.39Å; E59-A63 WeakPolarHBondContact O-CB 3.45Å; E59-A63 PolarHBondContact O-N 2.98Å
60A98.6Very high98.1Very high0 Ų045.2 Ų45.20%022%0.22CC..Hα-helixtrans-62-45.6175.100000111.8M13 F42 L44 V56 V58 E62 A63 V64M13-A60 HydrophobicContact CG-CB 3.8Å; M13-A60 HydrophobicContact SD-CB 3.95Å; F42-A60 HydrophobicContact CB-CB 3.76Å; F42-A60 HydrophobicContact CD1-CB 4.01Å; F42-A60 HydrophobicContact CD2-CB 4.1Å; F42-A60 HydrophobicContact CG-CB 3.68Å; L44-A60 HydrophobicContact CD2-CB 4.11Å; V56-A60 VanDerWaalsContact O-CB 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.21Å; V56-A60 PolarHBondContact O-N 3.36Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 2.87Å; A60-E62 VanDerWaalsContact C-N 3.32Å; A60-E62 PolarHBondContact O-N 2.7Å; A60-A63 WeakPolarHBondContact O-CB 3.34Å; A60-A63 PolarHBondContact O-N 2.81Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 2.83Å
61A97.7Very high98.1Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-61-42.3176.800000111.9T57 V58 A63 V64 R65 I99 I102 L103T57-A61 PolarHBondContact O-N 2.83Å; V58-A61 PolarHBondContact O-N 3.2Å; A61-A63 VanDerWaalsContact C-N 3.34Å; A61-A63 PolarHBondContact O-N 2.65Å; A61-V64 PolarHBondContact O-N 3.23Å; A61-R65 PolarHBondContact O-N 3.38Å; A61-I99 HydrophobicContact CB-CB 4.31Å; A61-I99 HydrophobicContact CB-CG1 4.03Å; A61-I99 HydrophobicContact CB-CG2 4.3Å; A61-I102 HydrophobicContact CB-CB 3.9Å; A61-I102 HydrophobicContact CB-CD1 3.67Å; A61-I102 HydrophobicContact CB-CG1 4.4Å; A61-I102 HydrophobicContact CB-CG2 3.8Å; A61-L103 WeakPolarHBondContact O-CD2 3.4Å
62E98.3Very high98.1Very high63 Ų6341.1 Ų41.129%0.29419%0.189SC..Hα-helixtrans-65.2-36.9176.2-75.1-64.1167.200112.9V58 E59 A60 R65 R66V58-E62 WeakPolarHBondContact O-CG 3.31Å; V58-E62 PolarHBondContact O-N 3.18Å; E59-E62 PolarHBondContact O-N 3.39Å; A60-E62 VanDerWaalsContact C-N 3.32Å; A60-E62 PolarHBondContact O-N 2.7Å; E62-R65 PolarHBondContact O-N 3.36Å; E62-R65 IonicContact OE1-CZ 3.36Å; E62-R65 VanDerWaalsContact OE1-CZ 3.31Å; E62-R65 IonicContact OE1-NE 2.68Å; E62-R65 IonicContact OE1-NH1 3.75Å; E62-R65 IonicContact OE1-NH2 2.89Å; E62-R65 PolarHBondContact OE1-NH2 3.13Å; E62-R65 IonicContact OE2-CZ 2.85Å; E62-R65 IonicContact OE2-NE 3.71Å; E62-R65 PolarHBondContact OE2-NE 3.48Å; E62-R65 IonicContact OE2-NH2 3.22Å; E62-R65 PolarHBondContact OE2-NH2 2.96Å; E62-R66 PolarHBondContact O-N 3.35Å
63A98.5Very high98.1Very high9 Ų938.8 Ų38.87%0.07418%0.175CC..Hα-helixtrans-65-42171.900000111.4V11 F42 E59 A60 A61 R65 R66 Y67V11-A63 HydrophobicContact CG1-CB 4.24Å; V11-A63 HydrophobicContact CG2-CB 3.82Å; F42-A63 HydrophobicContact CE2-CB 3.47Å; F42-A63 VanDerWaalsContact CE2-CB 3.47Å; F42-A63 HydrophobicContact CZ-CB 3.47Å; F42-A63 VanDerWaalsContact CZ-CB 3.47Å; E59-A63 WeakPolarHBondContact O-CB 3.45Å; E59-A63 PolarHBondContact O-N 2.98Å; A60-A63 WeakPolarHBondContact O-CB 3.34Å; A60-A63 PolarHBondContact O-N 2.81Å; A61-A63 VanDerWaalsContact C-N 3.34Å; A61-A63 PolarHBondContact O-N 2.65Å; A63-R65 VanDerWaalsContact C-N 3.31Å; A63-R65 PolarHBondContact O-N 3.45Å; A63-R66 WeakPolarHBondContact O-CB 3.19Å; A63-R66 PolarHBondContact O-N 3.4Å; A63-R66 VanDerWaalsContact O-N 3.09Å; A63-Y67 HydrophobicContact CB-CD2 4.29Å; A63-Y67 HydrophobicContact CB-CE2 4.45Å; A63-Y67 WeakPolarHBondContact O-CD2 3.45Å; A63-Y67 PolarHBondContact O-N 2.99Å
64V98.4Very high98Very high0 Ų034.8 Ų34.80%016%0.155CC..Hα-helixtrans-60.1-44.2175.4173.90000110.3V11 M13 A60 A61 R66 Y67 N68 L103 T301V11-V64 HydrophobicContact CB-CG2 3.85Å; V11-V64 HydrophobicContact CG1-CG2 3.83Å; V11-V64 HydrophobicContact CG2-CG2 4.23Å; M13-V64 HydrophobicContact CE-CG2 3.48Å; M13-V64 VanDerWaalsContact CE-CG2 3.48Å; M13-V64 HydrophobicContact SD-CG2 4.48Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 2.83Å; A61-V64 PolarHBondContact O-N 3.23Å; V64-R66 PolarHBondContact O-N 3.07Å; V64-Y67 PolarHBondContact O-N 3.25Å; V64-N68 WeakPolarHBondContact O-CA 3.42Å; V64-N68 PolarHBondContact O-N 3.33Å; V64-L103 HydrophobicContact CB-CD1 4.1Å; V64-L103 HydrophobicContact CB-CD2 4.21Å; V64-L103 HydrophobicContact CG1-CD1 3.63Å; V64-L103 HydrophobicContact CG1-CD2 4.12Å; V64-T301 HydrophobicContact CG1-CG2 3.87Å
65R96.3Very high98Very high136 Ų13634.7 Ų34.751%0.51316%0.155SC..Hα-helixtrans-58.5-36.6175.3-171.3168.868.8167.55.3112.5A61 E62 A63 L103A61-R65 PolarHBondContact O-N 3.38Å; E62-R65 PolarHBondContact O-N 3.36Å; E62-R65 IonicContact OE1-CZ 3.36Å; E62-R65 VanDerWaalsContact OE1-CZ 3.31Å; E62-R65 IonicContact OE1-NE 2.68Å; E62-R65 IonicContact OE1-NH1 3.75Å; E62-R65 IonicContact OE1-NH2 2.89Å; E62-R65 PolarHBondContact OE1-NH2 3.13Å; E62-R65 IonicContact OE2-CZ 2.85Å; E62-R65 IonicContact OE2-NE 3.71Å; E62-R65 PolarHBondContact OE2-NE 3.48Å; E62-R65 IonicContact OE2-NH2 3.22Å; E62-R65 PolarHBondContact OE2-NH2 2.96Å; A63-R65 VanDerWaalsContact C-N 3.31Å; A63-R65 PolarHBondContact O-N 3.45Å; R65-L103 HydrophobicContact CB-CD2 3.83Å
66R97.7Very high97.9Very high178 Ų17830.6 Ų30.667%0.67214%0.136SC*.Hα-helixtrans-73.4-47.6178.3-174-179.7-61.4170.24112.7E62 A63 V64 N68E62-R66 PolarHBondContact O-N 3.35Å; A63-R66 WeakPolarHBondContact O-CB 3.19Å; A63-R66 PolarHBondContact O-N 3.4Å; A63-R66 VanDerWaalsContact O-N 3.09Å; V64-R66 PolarHBondContact O-N 3.07Å; R66-N68 PolarHBondContact O-ND2 3.35Å
67Y98.1Very high97.6Very high60 Ų6033.7 Ų33.724%0.23516%0.155CC..Hα-helixtrans-95.1-8.3-171.6-61-63.6000113.8V11 H40 A63 V64 V69 R342V11-Y67 HydrophobicContact CG2-CD2 3.78Å; V11-Y67 HydrophobicContact CG2-CG 4.41Å; H40-Y67 HydrophobicContact CB-CE2 4.48Å; H40-Y67 AromaticContact CD2-CD2 3.4Å; H40-Y67 WeakPolarHBondContact CD2-CD2 3.33Å; H40-Y67 AromaticContact CD2-CE2 3.34Å; H40-Y67 WeakPolarHBondContact CD2-CE2 3.42Å; H40-Y67 AromaticContact CD2-CG 3.78Å; H40-Y67 AromaticContact CD2-CZ 3.68Å; H40-Y67 AromaticContact CE1-CE2 3.92Å; H40-Y67 AromaticContact CE1-CZ 3.6Å; H40-Y67 AromaticContact CG-CE2 3.71Å; H40-Y67 AromaticContact NE2-CD1 3.76Å; H40-Y67 AromaticContact NE2-CD2 3.82Å; H40-Y67 AromaticContact NE2-CE1 3.41Å; H40-Y67 WeakPolarHBondContact NE2-CE1 3.44Å; H40-Y67 AromaticContact NE2-CE2 3.45Å; H40-Y67 WeakPolarHBondContact NE2-CE2 3.48Å; H40-Y67 AromaticContact NE2-CG 3.95Å; H40-Y67 AromaticContact NE2-CZ 3.23Å; A63-Y67 HydrophobicContact CB-CD2 4.29Å; A63-Y67 HydrophobicContact CB-CE2 4.45Å; A63-Y67 WeakPolarHBondContact O-CD2 3.45Å; A63-Y67 PolarHBondContact O-N 2.99Å; V64-Y67 PolarHBondContact O-N 3.25Å; Y67-V69 PolarHBondContact O-N 3.46Å; Y67-R342 PolarHBondContact O-NH1 2.84Å
68N97.9Very high97.3Very high15 Ų1534 Ų348%0.0816%0.157CC..SBendtrans70.8-4.5176-48.5-93.5000115.8V64 R66 R300 T301 V302 L345V64-N68 WeakPolarHBondContact O-CA 3.42Å; V64-N68 PolarHBondContact O-N 3.33Å; R66-N68 PolarHBondContact O-ND2 3.35Å; N68-R300 HydrophobicContact CB-CG 4.26Å; N68-R300 PolarHBondContact ND2-NE 3.36Å; N68-R300 PolarHBondContact ND2-NH2 3.16Å; N68-R300 VanDerWaalsContact OD1-CD 3.29Å; N68-R300 WeakPolarHBondContact OD1-CD 3.5Å; N68-R300 WeakPolarHBondContact OD1-CG 3.33Å; N68-R300 PolarHBondContact OD1-NE 3.25Å; N68-R300 VanDerWaalsContact OD1-NE 3.11Å; N68-T301 WeakPolarHBondContact O-CA 3.43Å; N68-T301 PolarHBondContact OD1-OG1 3.13Å; N68-V302 PolarHBondContact O-N 3.41Å; N68-L345 HydrophobicContact CB-CD1 3.83Å
69V98.4Very high96.8Very high0 Ų035 Ų350%016%0.161CC..EExtended strand (participates in β ladder)trans-134.7114.3-177.7-169.90000109.9V10 V11 Y67 I71 V302 G338 R342 L345V10-V69 HydrophobicContact CG1-CG1 4.27Å; V10-V69 HydrophobicContact CG2-CB 4.48Å; V10-V69 HydrophobicContact CG2-CG1 4.3Å; V11-V69 WeakPolarHBondContact CB-O 3.45Å; V11-V69 PolarHBondContact N-O 2.61Å; Y67-V69 PolarHBondContact O-N 3.46Å; V69-I71 HydrophobicContact CG1-CG1 4.41Å; V69-V302 HydrophobicContact CG1-CG2 4.47Å; V69-G338 WeakPolarHBondContact CG1-O 3.19Å; V69-R342 HydrophobicContact CG2-CB 4.17Å; V69-L345 HydrophobicContact CG2-CD1 4.08Å
70G98.4Very high96.5Very high0 Ų036.9 Ų36.90%017%0.169CC..EExtended strand (participates in β ladder)trans-110.4138.616900000111.7V11 V302 E303 A304V11-G70 CarbonylContact O-C 3.51Å; V11-G70 WeakPolarHBondContact O-CA 3.48Å; G70-V302 PolarHBondContact N-O 3.43Å; G70-E303 CarbonylContact O-C 3.58Å; G70-E303 WeakPolarHBondContact O-CA 3.5Å; G70-A304 PolarHBondContact O-N 3.03Å
71I98.6Very high96.2Very high0 Ų044.4 Ų44.40%020%0.202CC..EExtended strand (participates in β ladder)trans-128.6117.1173.5-45.4-177.6000107.8V10 V11 M13 W23 V69 A304 A334 W335V10-I71 HydrophobicContact CG1-CD1 3.46Å; V10-I71 VanDerWaalsContact CG1-CD1 3.46Å; V10-I71 HydrophobicContact CG1-CG1 3.66Å; V11-I71 PolarHBondContact O-N 2.82Å; M13-I71 PolarHBondContact N-O 3.27Å; W23-I71 HydrophobicContact CH2-CB 4.45Å; W23-I71 HydrophobicContact CH2-CG2 3.54Å; W23-I71 HydrophobicContact CZ2-CG2 3.98Å; V69-I71 HydrophobicContact CG1-CG1 4.41Å; I71-A304 WeakPolarHBondContact CA-O 3.43Å; I71-A334 HydrophobicContact CG2-CB 4.26Å; I71-A334 WeakPolarHBondContact CG2-O 3.15Å; I71-W335 HydrophobicContact CD1-CD2 4.28Å; I71-W335 HydrophobicContact CD1-CE3 3.67Å; I71-W335 HydrophobicContact CD1-CZ3 4.05Å; I71-W335 HydrophobicContact CG2-CD2 4.1Å; I71-W335 HydrophobicContact CG2-CE3 4.48Å; I71-W335 HydrophobicContact CG2-CG 4.12Å
72K98.6Very high96.1Very high0 Ų045.7 Ų45.70%021%0.207CC..EExtended strand (participates in β ladder)trans-121.3130.4-165.3-178.7174-179.1-61.60112.7M13 T75 N96 I99 E303 A304 E305M13-K72 HydrophobicContact CB-CB 3.97Å; M13-K72 HydrophobicContact CB-CD 4.49Å; M13-K72 HydrophobicContact CB-CG 3.83Å; M13-K72 HydrophobicContact CE-CB 4.06Å; M13-K72 HydrophobicContact SD-CB 4.37Å; M13-K72 HydrophobicContact SD-CD 4.14Å; M13-K72 HydrophobicContact SD-CG 4.37Å; K72-T75 PolarHBondContact NZ-OG1 2.9Å; K72-N96 WeakPolarHBondContact CE-OD1 3.22Å; K72-N96 PolarHBondContact NZ-OD1 2.77Å; K72-I99 HydrophobicContact CD-CD1 3.83Å; K72-E303 WeakPolarHBondContact CB-OE1 3.28Å; K72-A304 PolarHBondContact N-O 2.93Å; K72-E305 HydrophobicContact CB-CB 4.23Å; K72-E305 IonicContact NZ-OE2 3.95Å
73C98.1Very high95.9Very high1 Ų144.4 Ų44.41%0.00720%0.204CC..  trans-77.5152166.2-178.30000110.7M13 T19 W23M13-C73 WeakPolarHBondContact O-CB 3.5Å; M13-C73 PolarHBondContact O-N 2.72Å; T19-C73 VanDerWaalsContact C-SG 3.59Å; W23-C73 HydrophobicContact CD2-CB 3.73Å; W23-C73 HydrophobicContact CE3-CB 3.85Å; W23-C73 HydrophobicContact CG-CB 4.07Å; W23-C73 HydrophobicContact CH2-CB 4.46Å; W23-C73 HydrophobicContact CZ2-CB 4.4Å; W23-C73 HydrophobicContact CZ3-CB 4.23Å
74A95.9Very high95.8Very high8 Ų851.4 Ų51.47%0.06624%0.235CC..  trans-61.9141.3174.700000111.2G15 D16 T19 T310G15-A74 VanDerWaalsContact CA-O 3.29Å; G15-A74 WeakPolarHBondContact CA-O 3.48Å; D16-A74 PolarHBondContact N-O 3.07Å; T19-A74 HydrophobicContact CG2-CB 3.98Å; A74-T310 HydrophobicContact CB-CG2 3.97Å
75T97.3Very high95.8Very high15 Ų1555.4 Ų55.49%0.09225%0.253CS..  trans-126.8144.4-174.547.70000110.3D16 L44 K72 T77 P95 T310D16-T75 WeakPolarHBondContact OD2-CA 3.1Å; L44-T75 HydrophobicContact CB-CG2 3.75Å; K72-T75 PolarHBondContact NZ-OG1 2.9Å; T75-T77 PolarHBondContact O-N 2.91Å; T75-P95 HydrophobicContact CG2-CG 4.44Å; T75-T310 VanDerWaalsContact C-CG2 3.47Å
76I96.3Very high95.8Very high7 Ų751.5 Ų51.54%0.03624%0.24CC..PPolyproline II helixtrans-67.2133.4174.7-64.3168000109.3D16 E17 M46 R49 R82 F86 T310D16-I76 HydrophobicContact CB-CD1 3.88Å; D16-I76 HydrophobicContact CB-CG1 3.73Å; D16-I76 PolarHBondContact OD2-N 3.26Å; E17-I76 HydrophobicContact CG-CD1 3.88Å; E17-I76 HydrophobicContact CG-CG1 4.3Å; M46-I76 HydrophobicContact CB-CD1 4.44Å; M46-I76 HydrophobicContact CE-CB 3.58Å; M46-I76 HydrophobicContact CE-CG2 3.32Å; M46-I76 WeakPolarHBondContact CE-O 3.03Å; R49-I76 PolarHBondContact NH2-O 3.12Å; I76-R82 HydrophobicContact CG2-CG 3.97Å; I76-F86 HydrophobicContact CD1-CE2 3.84Å; I76-F86 HydrophobicContact CD1-CZ 3.66Å; I76-T310 HydrophobicContact CG1-CG2 4.1Å
77T91.8Very high95.8Very high74 Ų7451.9 Ų51.945%0.45425%0.247SC..PPolyproline II helixtrans-98.4118.8159.6-60.10000106.8T75 S94T75-T77 PolarHBondContact O-N 2.91Å; T77-S94 WeakPolarHBondContact OG1-CB 3.49Å; T77-S94 PolarHBondContact OG1-OG 3.25Å
78P92.6Very high95.7Very high7 Ų749.7 Ų49.75%0.04524%0.239CC..PPolyproline II helixtrans-75.5136.5-169.329.2-28.6000111.6M46 R82 L88 M91 W92M46-P78 HydrophobicContact CE-CB 3.66Å; M46-P78 HydrophobicContact CE-CG 3.85Å; M46-P78 HydrophobicContact SD-CB 4.35Å; M46-P78 HydrophobicContact SD-CG 4.36Å; P78-R82 HydrophobicContact CB-CB 3.83Å; P78-L88 HydrophobicContact CB-CD1 3.49Å; P78-L88 VanDerWaalsContact CB-CD1 3.49Å; P78-L88 HydrophobicContact CG-CD1 4.05Å; P78-M91 HydrophobicContact CG-CG 4.37Å; P78-M91 VanDerWaalsContact O-CG 3.22Å; P78-M91 WeakPolarHBondContact O-CG 3.48Å; P78-W92 VanDerWaalsContact CD-O 3.28Å; P78-W92 WeakPolarHBondContact CD-O 3.19Å; P78-W92 HydrophobicContact CG-CB 4.07Å; P78-W92 VanDerWaalsContact CG-O 3.3Å; P78-W92 WeakPolarHBondContact CG-O 3.44Å
79D87.4Confident95.6Very high69 Ų6954.7 Ų54.737%0.36926%0.26SS..  trans-105.8-17416465.212.7000109.6K81 R82 V83D79-K81 PolarHBondContact O-N 3.14Å; D79-K81 WeakPolarHBondContact OD1-CA 3.48Å; D79-K81 WeakPolarHBondContact OD1-CB 3.31Å; D79-K81 PolarHBondContact OD1-N 3.27Å; D79-R82 PolarHBondContact O-N 2.86Å; D79-R82 VanDerWaalsContact O-N 3.11Å; D79-R82 WeakPolarHBondContact OD1-CG 3.31Å; D79-R82 PolarHBondContact OD1-N 2.91Å; D79-V83 WeakPolarHBondContact O-CG2 3.25Å; D79-V83 PolarHBondContact O-N 2.97Å
80E90.9Very high95.3Very high132 Ų13260.4 Ų60.462%0.61729%0.285SS*.Hα-helixtrans-56.3-39.3179.3-63.479.5-175.700112.2V83 E84 M91E80-V83 PolarHBondContact O-N 3.49Å; E80-E84 PolarHBondContact O-N 2.85Å; E80-M91 HydrophobicContact CG-CE 3.86Å
81K94Very high94.9Very high158 Ų15865 Ų6569%0.68731%0.307SS*.Hα-helixtrans-68.7-37.7179-66.5178.4-179.81730111.5D79 E84 E85D79-K81 PolarHBondContact O-N 3.14Å; D79-K81 WeakPolarHBondContact OD1-CA 3.48Å; D79-K81 WeakPolarHBondContact OD1-CB 3.31Å; D79-K81 PolarHBondContact OD1-N 3.27Å; K81-E84 PolarHBondContact O-N 2.96Å; K81-E85 WeakPolarHBondContact O-CB 3.45Å; K81-E85 PolarHBondContact O-N 3.38Å
82R95.1Very high94.7Very high27 Ų2765.8 Ų65.810%0.10231%0.31CS..Hα-helixtrans-69.7-33.9175.6-62.5-49.7-169.4145.813.7112E17 I76 P78 D79 E84 E85 F86 T312E17-R82 IonicContact OE1-CZ 3.7Å; E17-R82 VanDerWaalsContact OE1-CZ 3.28Å; E17-R82 IonicContact OE1-NH1 3.68Å; E17-R82 PolarHBondContact OE1-NH1 2.9Å; E17-R82 IonicContact OE1-NH2 2.7Å; E17-R82 PolarHBondContact OE1-NH2 3.33Å; E17-R82 IonicContact OE2-NH2 2.79Å; I76-R82 HydrophobicContact CG2-CG 3.97Å; P78-R82 HydrophobicContact CB-CB 3.83Å; D79-R82 PolarHBondContact O-N 2.86Å; D79-R82 VanDerWaalsContact O-N 3.11Å; D79-R82 WeakPolarHBondContact OD1-CG 3.31Å; D79-R82 PolarHBondContact OD1-N 2.91Å; R82-E84 VanDerWaalsContact C-N 3.32Å; R82-E85 VanDerWaalsContact CD-OE2 3.27Å; R82-E85 WeakPolarHBondContact CD-OE2 3.37Å; R82-E85 IonicContact CZ-OE2 2.74Å; R82-E85 IonicContact NE-OE2 3.12Å; R82-E85 IonicContact NH1-OE1 3.39Å; R82-E85 IonicContact NH1-OE2 3.89Å; R82-E85 PolarHBondContact NH1-OE2 3.4Å; R82-E85 PolarHBondContact O-N 3.22Å; R82-F86 HydrophobicContact CB-CD2 4.46Å; R82-F86 WeakPolarHBondContact O-CD2 3.31Å; R82-F86 PolarHBondContact O-N 3.43Å; R82-T312 PolarHBondContact NH2-OG1 3.29Å
83V94.4Very high94.1Very high37 Ų3775.3 Ų75.322%0.22435%0.346CS..Hα-helixtrans-59.3-45.4172.4172.30000110.5D79 E80 K87 L88 M91D79-V83 WeakPolarHBondContact O-CG2 3.25Å; D79-V83 PolarHBondContact O-N 2.97Å; E80-V83 PolarHBondContact O-N 3.49Å; V83-K87 CarbonylContact O-C 3.59Å; V83-K87 WeakPolarHBondContact O-CA 3.33Å; V83-K87 PolarHBondContact O-N 3.11Å; V83-L88 HydrophobicContact CB-CB 4.47Å; V83-L88 HydrophobicContact CG1-CB 4.32Å; V83-L88 HydrophobicContact CG2-CB 4.35Å; V83-L88 HydrophobicContact CG2-CD1 4.08Å; V83-L88 PolarHBondContact O-N 3.07Å; V83-M91 HydrophobicContact CG2-CB 3.96Å; V83-M91 HydrophobicContact CG2-CG 4.29Å
84E96.8Very high93.7Very high156 Ų15677.1 Ų77.173%0.72936%0.359SS*.Hα-helixtrans-67.4-46.7175.5-68.1-179.1175.600112.6E80 K81 R82 F86 K87E80-E84 PolarHBondContact O-N 2.85Å; K81-E84 PolarHBondContact O-N 2.96Å; R82-E84 VanDerWaalsContact C-N 3.32Å; E84-F86 PolarHBondContact O-N 2.88Å; E84-K87 PolarHBondContact O-N 3.13Å
85E96.6Very high93.6Very high83 Ų8376.7 Ų76.739%0.38836%0.356SS..Hα-helixtrans-58.3-48-177.6-178.9-175178.200112.1K81 R82 R316K81-E85 WeakPolarHBondContact O-CB 3.45Å; K81-E85 PolarHBondContact O-N 3.38Å; R82-E85 VanDerWaalsContact CD-OE2 3.27Å; R82-E85 WeakPolarHBondContact CD-OE2 3.37Å; R82-E85 IonicContact CZ-OE2 2.74Å; R82-E85 IonicContact NE-OE2 3.12Å; R82-E85 IonicContact NH1-OE1 3.39Å; R82-E85 IonicContact NH1-OE2 3.89Å; R82-E85 PolarHBondContact NH1-OE2 3.4Å; R82-E85 PolarHBondContact O-N 3.22Å; E85-R316 IonicContact OE1-CZ 2.68Å; E85-R316 IonicContact OE1-NH1 3.71Å; E85-R316 PolarHBondContact OE1-NH1 3.25Å; E85-R316 IonicContact OE1-NH2 3.64Å; E85-R316 PolarHBondContact OE1-NH2 3.5Å; E85-R316 IonicContact OE2-NH2 2.75Å; E85-R316 PolarHBondContact OE2-NH2 2.76Å
86F96.8Very high93.3Very high54 Ų5477.7 Ų77.724%0.23736%0.36CS..Hα-helixtrans-96.2-0.5-175.9-70.2-92.3000113.1M46 E47 I76 R82 E84 L88M46-F86 HydrophobicContact CB-CD1 4.14Å; M46-F86 HydrophobicContact CB-CE1 4.07Å; M46-F86 HydrophobicContact CB-CZ 4.42Å; M46-F86 HydrophobicContact CG-CB 4.19Å; M46-F86 HydrophobicContact CG-CD1 3.82Å; M46-F86 HydrophobicContact CG-CD2 4.11Å; M46-F86 HydrophobicContact CG-CE1 4.19Å; M46-F86 HydrophobicContact CG-CE2 4.46Å; M46-F86 HydrophobicContact CG-CG 3.78Å; E47-F86 HydrophobicContact CG-CD1 4.03Å; E47-F86 HydrophobicContact CG-CE1 4.4Å; I76-F86 HydrophobicContact CD1-CE2 3.84Å; I76-F86 HydrophobicContact CD1-CZ 3.66Å; R82-F86 HydrophobicContact CB-CD2 4.46Å; R82-F86 WeakPolarHBondContact O-CD2 3.31Å; R82-F86 PolarHBondContact O-N 3.43Å; E84-F86 PolarHBondContact O-N 2.88Å; F86-L88 VanDerWaalsContact C-N 3.3Å; F86-L88 HydrophobicContact CB-CD2 3.44Å; F86-L88 VanDerWaalsContact CB-CD2 3.44Å; F86-L88 HydrophobicContact CB-CG 3.8Å; F86-L88 HydrophobicContact CG-CD2 4.45Å; F86-L88 PolarHBondContact O-N 3.2Å
87K97.7Very high92.8Very high187 Ų18778.8 Ų78.881%0.81337%0.373SS*.THydrogen-bonded Turntrans5346.7-175.9-55.1178.1-178.2178.70112.3V83 E84V83-K87 CarbonylContact O-C 3.59Å; V83-K87 WeakPolarHBondContact O-CA 3.33Å; V83-K87 PolarHBondContact O-N 3.11Å; E84-K87 PolarHBondContact O-N 3.13Å
88L96.2Very high92.7Very high14 Ų1476.4 Ų76.47%0.07336%0.359CS..  trans-67.1144.7-172.8-55.9179000111.7M46 D50 P78 V83 F86 K90M46-L88 HydrophobicContact CE-CD1 4.43Å; M46-L88 HydrophobicContact CG-CD1 4.45Å; M46-L88 HydrophobicContact CG-CD2 3.83Å; M46-L88 HydrophobicContact SD-CD1 3.71Å; M46-L88 HydrophobicContact SD-CD2 3.76Å; M46-L88 HydrophobicContact SD-CG 4.42Å; D50-L88 HydrophobicContact CB-CD2 3.82Å; D50-L88 WeakPolarHBondContact OD1-CA 3.49Å; P78-L88 HydrophobicContact CB-CD1 3.49Å; P78-L88 VanDerWaalsContact CB-CD1 3.49Å; P78-L88 HydrophobicContact CG-CD1 4.05Å; V83-L88 HydrophobicContact CB-CB 4.47Å; V83-L88 HydrophobicContact CG1-CB 4.32Å; V83-L88 HydrophobicContact CG2-CB 4.35Å; V83-L88 HydrophobicContact CG2-CD1 4.08Å; V83-L88 PolarHBondContact O-N 3.07Å; F86-L88 VanDerWaalsContact C-N 3.3Å; F86-L88 HydrophobicContact CB-CD2 3.44Å; F86-L88 VanDerWaalsContact CB-CD2 3.44Å; F86-L88 HydrophobicContact CB-CG 3.8Å; F86-L88 HydrophobicContact CG-CD2 4.45Å; F86-L88 PolarHBondContact O-N 3.2Å; L88-K90 WeakPolarHBondContact CB-O 3.27Å; L88-K90 PolarHBondContact O-N 3.35Å
89K96.8Very high92.7Very high120 Ų12076.1 Ų76.152%0.52236%0.357SS..SBendtrans-59.9-35.8173.3-61.9176.1-157.4169.10111.6D50 D53 W92D50-K89 WeakPolarHBondContact O-CE 3.45Å; D50-K89 PolarHBondContact O-NZ 3.23Å; D50-K89 PolarHBondContact OD1-N 2.87Å; D53-K89 WeakPolarHBondContact OD1-CD 3.46Å; D53-K89 IonicContact OD1-NZ 2.74Å; D53-K89 PolarHBondContact OD1-NZ 2.99Å; D53-K89 IonicContact OD2-NZ 3.89Å; K89-W92 HydrophobicContact CB-CZ2 4.28Å; K89-W92 HydrophobicContact CD-CZ2 4.46Å
90K91.6Very high92.8Very high120 Ų12074.3 Ų74.352%0.52235%0.345SS..SBendtrans-160.3169.9174.360-172.7168.7-170.50111L88 W92L88-K90 WeakPolarHBondContact CB-O 3.27Å; L88-K90 PolarHBondContact O-N 3.35Å; K90-W92 HydrophobicContact CD-CE3 4.44Å; K90-W92 HydrophobicContact CD-CH2 4.19Å; K90-W92 HydrophobicContact CD-CZ2 4.49Å; K90-W92 HydrophobicContact CD-CZ3 4.2Å; K90-W92 VanDerWaalsContact CE-CE3 3.5Å; K90-W92 HydrophobicContact CG-CD2 4.03Å; K90-W92 HydrophobicContact CG-CE3 4.17Å; K90-W92 HydrophobicContact CG-CH2 4.1Å; K90-W92 HydrophobicContact CG-CZ2 3.91Å; K90-W92 HydrophobicContact CG-CZ3 4.26Å; K90-W92 VanDerWaalsContact O-CD1 3.3Å; K90-W92 PolarHBondContact O-N 2.98Å; K90-W92 PolarHBondContact O-NE1 3.23Å
91M90.1Very high92.5Very high95 Ų9572 Ų7247%0.46834%0.336SS..  trans-73.694.3171.7-166.1-175.1-64.900109.7P78 E80 V83P78-M91 HydrophobicContact CG-CG 4.37Å; P78-M91 VanDerWaalsContact O-CG 3.22Å; P78-M91 WeakPolarHBondContact O-CG 3.48Å; E80-M91 HydrophobicContact CG-CE 3.86Å; V83-M91 HydrophobicContact CG2-CB 3.96Å; V83-M91 HydrophobicContact CG2-CG 4.29Å
92W93.5Very high92.3Very high18 Ų1866.5 Ų66.57%0.06831%0.314CS..PPolyproline II helixtrans-64.7153.1179-59.8107000112.5D50 D53 D54 P78 K89 K90D50-W92 PolarHBondContact OD1-NE1 3.43Å; D53-W92 VanDerWaalsContact C-CH2 3.43Å; D53-W92 HydrophobicContact CB-CH2 3.63Å; D53-W92 HydrophobicContact CB-CZ2 4.44Å; D53-W92 HydrophobicContact CB-CZ3 4.27Å; D53-W92 VanDerWaalsContact O-CZ3 3.24Å; D53-W92 WeakPolarHBondContact O-CZ3 3.49Å; D53-W92 WeakPolarHBondContact OD1-CH2 3.48Å; D54-W92 HydrophobicContact CB-CD2 4.13Å; D54-W92 HydrophobicContact CB-CE3 3.5Å; D54-W92 HydrophobicContact CB-CZ3 3.82Å; P78-W92 VanDerWaalsContact CD-O 3.28Å; P78-W92 WeakPolarHBondContact CD-O 3.19Å; P78-W92 HydrophobicContact CG-CB 4.07Å; P78-W92 VanDerWaalsContact CG-O 3.3Å; P78-W92 WeakPolarHBondContact CG-O 3.44Å; K89-W92 HydrophobicContact CB-CZ2 4.28Å; K89-W92 HydrophobicContact CD-CZ2 4.46Å; K90-W92 HydrophobicContact CD-CE3 4.44Å; K90-W92 HydrophobicContact CD-CH2 4.19Å; K90-W92 HydrophobicContact CD-CZ2 4.49Å; K90-W92 HydrophobicContact CD-CZ3 4.2Å; K90-W92 VanDerWaalsContact CE-CE3 3.5Å; K90-W92 HydrophobicContact CG-CD2 4.03Å; K90-W92 HydrophobicContact CG-CE3 4.17Å; K90-W92 HydrophobicContact CG-CH2 4.1Å; K90-W92 HydrophobicContact CG-CZ2 3.91Å; K90-W92 HydrophobicContact CG-CZ3 4.26Å; K90-W92 VanDerWaalsContact O-CD1 3.3Å; K90-W92 PolarHBondContact O-N 2.98Å; K90-W92 PolarHBondContact O-NE1 3.23Å
93R87.2Confident92.1Very high199 Ų19966.1 Ų66.175%0.75131%0.314SS*.PPolyproline II helixtrans-70.9165.4176.5-67.7-176.9177.6179-0.2110.8P95R93-P95 WeakPolarHBondContact O-CD 3.48Å
94S88.9Confident91.6Very high39 Ų3965.6 Ų65.627%0.27332%0.316SS..PPolyproline II helixtrans-66.1127.3175.2-174.70000111.1T77 N96 G97 T98T77-S94 WeakPolarHBondContact OG1-CB 3.49Å; T77-S94 PolarHBondContact OG1-OG 3.25Å; S94-N96 VanDerWaalsContact C-N 3.25Å; S94-N96 PolarHBondContact O-N 2.63Å; S94-G97 PolarHBondContact O-N 3.43Å; S94-G97 VanDerWaalsContact O-N 3.08Å; S94-T98 PolarHBondContact O-N 2.75Å; S94-T98 PolarHBondContact O-OG1 2.82Å
95P94.3Very high91Very high0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-56.7-39.8175.2-2937.7000113R49 T57 T75 R93 G97 T98 I99R49-P95 VanDerWaalsContact CZ-CG 3.43Å; R49-P95 VanDerWaalsContact NH1-CG 3.33Å; T57-P95 HydrophobicContact CG2-CB 3.93Å; T75-P95 HydrophobicContact CG2-CG 4.44Å; R93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-G97 VanDerWaalsContact C-N 3.31Å; P95-G97 PolarHBondContact O-N 2.96Å; P95-T98 PolarHBondContact O-N 3.45Å; P95-I99 WeakPolarHBondContact O-CB 3.43Å; P95-I99 WeakPolarHBondContact O-CD1 3.26Å; P95-I99 WeakPolarHBondContact O-CG1 3.48Å; P95-I99 PolarHBondContact O-N 2.89Å
96N89.6Confident90.8Very high36 Ų3655 Ų5519%0.19327%0.271CS..Hα-helixtrans-61.3-41.7177.8-70.48.5000111.1K72 S94 R100 E305K72-N96 WeakPolarHBondContact CE-OD1 3.22Å; K72-N96 PolarHBondContact NZ-OD1 2.77Å; S94-N96 VanDerWaalsContact C-N 3.25Å; S94-N96 PolarHBondContact O-N 2.63Å; N96-R100 VanDerWaalsContact O-CB 3.25Å; N96-R100 WeakPolarHBondContact O-CB 3.38Å; N96-R100 VanDerWaalsContact O-CD 3.28Å; N96-R100 WeakPolarHBondContact O-CD 3.28Å; N96-R100 WeakPolarHBondContact O-CG 3.35Å; N96-R100 PolarHBondContact O-N 2.84Å; N96-E305 PolarHBondContact ND2-OE1 3.22Å; N96-E305 PolarHBondContact ND2-OE2 2.65Å; N96-E305 PolarHBondContact OD1-OE2 3.24Å
97G86.1Confident90.6Very high30 Ų3052.4 Ų52.431%0.30926%0.26SS..Hα-helixtrans-63.5-44.8175.300000112.3S94 P95 N101S94-G97 PolarHBondContact O-N 3.43Å; S94-G97 VanDerWaalsContact O-N 3.08Å; P95-G97 VanDerWaalsContact C-N 3.31Å; P95-G97 PolarHBondContact O-N 2.96Å; G97-N101 WeakPolarHBondContact O-CB 3.27Å; G97-N101 PolarHBondContact O-N 3.44Å; G97-N101 PolarHBondContact O-ND2 2.92Å
98T90.1Very high90.5Very high23 Ų2343.8 Ų43.814%0.14122%0.222CC..Hα-helixtrans-62.8-50.9178.3-600000111.8T57 V58 S94 P95 R100 N101 I102T57-T98 HydrophobicContact CG2-CG2 3.78Å; V58-T98 HydrophobicContact CG2-CG2 4.04Å; S94-T98 PolarHBondContact O-N 2.75Å; S94-T98 PolarHBondContact O-OG1 2.82Å; P95-T98 PolarHBondContact O-N 3.45Å; T98-R100 PolarHBondContact O-N 3.05Å; T98-N101 PolarHBondContact O-N 3.48Å; T98-I102 HydrophobicContact CG2-CD1 3.96Å; T98-I102 WeakPolarHBondContact O-CG1 3.16Å; T98-I102 PolarHBondContact O-N 2.96Å; T98-I102 VanDerWaalsContact O-N 3.13Å
99I93.1Very high90.3Very high1 Ų144 Ų441%0.00522%0.222CC..Hα-helixtrans-59.9-48.1179.8-68.7159.8000110.7M13 L44 T57 A61 K72 P95 N101 I102 L103M13-I99 HydrophobicContact SD-CD1 3.64Å; L44-I99 HydrophobicContact CD1-CD1 3.99Å; T57-I99 HydrophobicContact CG2-CD1 4.48Å; T57-I99 HydrophobicContact CG2-CG1 4.18Å; A61-I99 HydrophobicContact CB-CB 4.31Å; A61-I99 HydrophobicContact CB-CG1 4.03Å; A61-I99 HydrophobicContact CB-CG2 4.3Å; K72-I99 HydrophobicContact CD-CD1 3.83Å; P95-I99 WeakPolarHBondContact O-CB 3.43Å; P95-I99 WeakPolarHBondContact O-CD1 3.26Å; P95-I99 WeakPolarHBondContact O-CG1 3.48Å; P95-I99 PolarHBondContact O-N 2.89Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 3.3Å; I99-I102 PolarHBondContact O-N 3.35Å; I99-I102 VanDerWaalsContact O-N 3.11Å; I99-L103 HydrophobicContact CG2-CD1 3.58Å; I99-L103 HydrophobicContact CG2-CG 4.15Å; I99-L103 WeakPolarHBondContact O-CB 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.5Å; I99-L103 PolarHBondContact O-N 3Å
100R88.2Confident90.1Very high31 Ų3139.8 Ų39.812%0.11720%0.204CC..Hα-helixtrans-63.7-33.6179.1-69168.9-169.6175.41.2112.8N96 T98 I102 G104 L294 E305N96-R100 VanDerWaalsContact O-CB 3.25Å; N96-R100 WeakPolarHBondContact O-CB 3.38Å; N96-R100 VanDerWaalsContact O-CD 3.28Å; N96-R100 WeakPolarHBondContact O-CD 3.28Å; N96-R100 WeakPolarHBondContact O-CG 3.35Å; N96-R100 PolarHBondContact O-N 2.84Å; T98-R100 PolarHBondContact O-N 3.05Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-G104 VanDerWaalsContact O-CA 3.23Å; R100-G104 WeakPolarHBondContact O-CA 3.33Å; R100-G104 PolarHBondContact O-N 2.72Å; R100-L294 HydrophobicContact CG-CD1 4.23Å; R100-L294 HydrophobicContact CG-CD2 4.04Å; R100-E305 IonicContact CZ-OE1 3.65Å; R100-E305 IonicContact NH2-OE1 3.39Å; R100-E305 PolarHBondContact NH2-OE1 2.73Å
101N85.3Confident90Very high83 Ų8334.3 Ų34.344%0.44418%0.181SC..Hα-helixtrans-68.4-33.3175.1-75.4-35.9000112.6G97 T98 I99 K140G97-N101 WeakPolarHBondContact O-CB 3.27Å; G97-N101 PolarHBondContact O-N 3.44Å; G97-N101 PolarHBondContact O-ND2 2.92Å; T98-N101 PolarHBondContact O-N 3.48Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 3.3Å; N101-K140 WeakPolarHBondContact OD1-CE 3.41Å; N101-K140 PolarHBondContact OD1-NZ 2.93Å
102I90.4Very high90Very high44 Ų4430.2 Ų30.223%0.22616%0.161CC..Hα-helixtrans-79.9-45.4-179.8-67.9165.6000110.9V58 A61 T98 I99 R100V58-I102 HydrophobicContact CB-CD1 4.24Å; V58-I102 HydrophobicContact CG1-CD1 3.93Å; V58-I102 HydrophobicContact CG2-CD1 4.24Å; A61-I102 HydrophobicContact CB-CB 3.9Å; A61-I102 HydrophobicContact CB-CD1 3.67Å; A61-I102 HydrophobicContact CB-CG1 4.4Å; A61-I102 HydrophobicContact CB-CG2 3.8Å; T98-I102 HydrophobicContact CG2-CD1 3.96Å; T98-I102 WeakPolarHBondContact O-CG1 3.16Å; T98-I102 PolarHBondContact O-N 2.96Å; T98-I102 VanDerWaalsContact O-N 3.13Å; I99-I102 PolarHBondContact O-N 3.35Å; I99-I102 VanDerWaalsContact O-N 3.11Å; R100-I102 VanDerWaalsContact C-N 3.33Å
103L90Very high89.8Confident19 Ų1931.5 Ų31.510%0.09917%0.169CC..Hα-helixtrans-77.9-31.2-178.3-65.7-175.9000112.6A61 V64 R65 I99 L294 T301 E303A61-L103 WeakPolarHBondContact O-CD2 3.4Å; V64-L103 HydrophobicContact CB-CD1 4.1Å; V64-L103 HydrophobicContact CB-CD2 4.21Å; V64-L103 HydrophobicContact CG1-CD1 3.63Å; V64-L103 HydrophobicContact CG1-CD2 4.12Å; R65-L103 HydrophobicContact CB-CD2 3.83Å; I99-L103 HydrophobicContact CG2-CD1 3.58Å; I99-L103 HydrophobicContact CG2-CG 4.15Å; I99-L103 WeakPolarHBondContact O-CB 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.5Å; I99-L103 PolarHBondContact O-N 3Å; L103-L294 HydrophobicContact CB-CD2 4.04Å; L103-L294 HydrophobicContact CD1-CD2 3.91Å; L103-T301 HydrophobicContact CD2-CG2 4.28Å; L103-E303 HydrophobicContact CD1-CB 4.24Å
104G84Confident90Very high26 Ų2622.3 Ų22.327%0.26814%0.135SC..  trans67.2-166.3-165.100000111.8R100R100-G104 VanDerWaalsContact O-CA 3.23Å; R100-G104 WeakPolarHBondContact O-CA 3.33Å; R100-G104 PolarHBondContact O-N 2.72Å
105G85.3Confident90.1Very high15 Ų1528.5 Ų28.516%0.15516%0.157CC..  trans96.8-164.8173.700000115.6I295G105-I295 CarbonylContact C-O 3.49Å; G105-I295 WeakPolarHBondContact CA-O 3.32Å
106T92.1Very high90Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-132.3135.3-170.3-57.60000110.4F108 R132 F191 L294 I295T106-F108 HydrophobicContact CG2-CD2 4.31Å; T106-F108 HydrophobicContact CG2-CE1 4.1Å; T106-F108 HydrophobicContact CG2-CE2 3.72Å; T106-F108 HydrophobicContact CG2-CZ 3.59Å; T106-R132 WeakPolarHBondContact CG2-O 3.18Å; T106-F191 HydrophobicContact CG2-CD2 3.49Å; T106-F191 VanDerWaalsContact CG2-CD2 3.49Å; T106-F191 HydrophobicContact CG2-CE2 3.58Å; T106-F191 WeakPolarHBondContact OG1-CA 3.45Å; T106-F191 WeakPolarHBondContact OG1-CD2 3.4Å; T106-L294 WeakPolarHBondContact O-CA 3.28Å; T106-I295 PolarHBondContact N-O 3.05Å; T106-I295 PolarHBondContact O-N 3.18Å
107V92.6Very high90.2Very high1 Ų129.6 Ų29.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-89.7117.1178.4-179.70000109.2R109 G131 R132 A134 S292 L294V107-R109 HydrophobicContact CG1-CG 4.34Å; V107-G131 CarbonylContact O-C 3.58Å; V107-G131 WeakPolarHBondContact O-CA 3.39Å; V107-R132 HydrophobicContact CB-CB 4.45Å; V107-R132 PolarHBondContact N-O 3.46Å; V107-R132 VanDerWaalsContact N-O 3.1Å; V107-R132 PolarHBondContact O-N 3.21Å; V107-A134 HydrophobicContact CG2-CB 4.07Å; V107-S292 VanDerWaalsContact CG1-OG 3.22Å; V107-S292 WeakPolarHBondContact CG1-OG 3.33Å; V107-L294 HydrophobicContact CG2-CB 4.43Å; V107-L294 HydrophobicContact CG2-CD1 3.81Å
108F94.9Very high90.4Very high5 Ų531.2 Ų31.22%0.02217%0.167CC..EExtended strand (participates in β ladder)trans-99.2122.3173.8-65.3-82.1000110.4T106 I129 I130 S194 M198 I265 S292 V293 I295T106-F108 HydrophobicContact CG2-CD2 4.31Å; T106-F108 HydrophobicContact CG2-CE1 4.1Å; T106-F108 HydrophobicContact CG2-CE2 3.72Å; T106-F108 HydrophobicContact CG2-CZ 3.59Å; F108-I129 HydrophobicContact CB-CG2 4.07Å; F108-I129 HydrophobicContact CD1-CG2 3.89Å; F108-I129 HydrophobicContact CG-CG2 4.45Å; F108-I130 CarbonylContact C-O 3.58Å; F108-I130 VanDerWaalsContact CA-O 3.3Å; F108-I130 WeakPolarHBondContact CA-O 3.39Å; F108-S194 WeakPolarHBondContact CZ-O 3.49Å; F108-M198 HydrophobicContact CB-CE 3.97Å; F108-M198 HydrophobicContact CD1-CB 4.22Å; F108-M198 HydrophobicContact CD1-CE 4.12Å; F108-M198 HydrophobicContact CD1-CG 3.78Å; F108-M198 HydrophobicContact CD2-CE 3.79Å; F108-M198 HydrophobicContact CE1-CB 3.7Å; F108-M198 HydrophobicContact CE1-CG 3.75Å; F108-M198 HydrophobicContact CE2-CB 4.29Å; F108-M198 HydrophobicContact CE2-CE 4.31Å; F108-M198 HydrophobicContact CG-CE 3.67Å; F108-M198 HydrophobicContact CG-CG 4.3Å; F108-M198 HydrophobicContact CZ-CB 3.75Å; F108-M198 HydrophobicContact CZ-CG 4.24Å; F108-I265 HydrophobicContact CE1-CG2 4.2Å; F108-S292 WeakPolarHBondContact O-CA 3.27Å; F108-V293 PolarHBondContact N-O 3.33Å; F108-V293 PolarHBondContact O-N 2.86Å; F108-I295 HydrophobicContact CD2-CB 4.18Å; F108-I295 HydrophobicContact CD2-CD1 3.71Å; F108-I295 HydrophobicContact CD2-CG1 3.94Å; F108-I295 HydrophobicContact CE2-CB 4.07Å; F108-I295 HydrophobicContact CE2-CD1 4.04Å; F108-I295 HydrophobicContact CE2-CG1 4.3Å
109R93.2Very high90.3Very high20 Ų2033.7 Ų33.78%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-108.3125.6175.3-74.6175.1168.9-159.8-6.8110V107 I129 I130 S277 D278 M290 T291 A307V107-R109 HydrophobicContact CG1-CG 4.34Å; R109-I129 CarbonylContact O-C 3.57Å; R109-I129 VanDerWaalsContact O-CA 3.29Å; R109-I129 WeakPolarHBondContact O-CA 3.38Å; R109-I130 PolarHBondContact N-O 3.04Å; R109-I130 PolarHBondContact O-N 3.13Å; R109-S277 WeakPolarHBondContact CD-OG 3.28Å; R109-S277 PolarHBondContact NH1-OG 2.58Å; R109-D278 IonicContact NH1-OD1 3.62Å; R109-D278 PolarHBondContact NH1-OD1 2.95Å; R109-D278 VanDerWaalsContact NH1-OD1 3.09Å; R109-M290 HydrophobicContact CB-CE 4.28Å; R109-M290 HydrophobicContact CB-CG 4.17Å; R109-M290 HydrophobicContact CB-SD 3.86Å; R109-M290 HydrophobicContact CG-CE 4.4Å; R109-T291 VanDerWaalsContact CA-O 3.23Å; R109-T291 WeakPolarHBondContact CA-O 3.29Å; R109-A307 PolarHBondContact NH2-O 3.41Å; R109-A307 VanDerWaalsContact NH2-O 3.13Å
110E91.6Very high90Very high30 Ų3039.6 Ų39.614%0.1421%0.205CC..EExtended strand (participates in β ladder)trans-129.3128.9-176.7-178172.5-166.600109.6P127 I129 K202 M290 T291E110-P127 HydrophobicContact CG-CB 4.31Å; E110-I129 HydrophobicContact CB-CD1 4.33Å; E110-I129 HydrophobicContact CB-CG1 3.86Å; E110-I129 HydrophobicContact CG-CD1 4.04Å; E110-I129 HydrophobicContact CG-CG1 3.73Å; E110-K202 IonicContact OE1-NZ 3.68Å; E110-K202 PolarHBondContact OE1-NZ 3.16Å; E110-K202 IonicContact OE2-NZ 3.85Å; E110-K202 PolarHBondContact OE2-NZ 2.83Å; E110-M290 WeakPolarHBondContact O-CA 3.43Å; E110-M290 WeakPolarHBondContact O-CG 3.39Å; E110-T291 PolarHBondContact N-O 3.38Å; E110-T291 PolarHBondContact O-N 3.09Å; E110-T291 PolarHBondContact O-OG1 3.48Å
111A88.8Confident90Very high5 Ų539.6 Ų39.64%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-71.7139.5176.500000111.7Y284 M289A111-Y284 HydrophobicContact CB-CD1 4.13Å; A111-Y284 HydrophobicContact CB-CD2 3.35Å; A111-Y284 HydrophobicContact CB-CE2 4.02Å; A111-Y284 HydrophobicContact CB-CG 3.44Å; A111-Y284 VanDerWaalsContact CB-CG 3.44Å; A111-M289 CarbonylContact C-O 3.59Å; A111-M289 WeakPolarHBondContact CA-O 3.38Å
112I90.1Very high90.2Very high9 Ų941 Ų415%0.04623%0.225CC..  trans-91.9115.7172.8-55.5169.3000107.1M289 T291 I329 F333 I363I112-M289 HydrophobicContact CB-CB 4.33Å; I112-M289 HydrophobicContact CB-CE 3.99Å; I112-M289 HydrophobicContact CG2-CE 3.72Å; I112-M289 PolarHBondContact N-O 3Å; I112-T291 HydrophobicContact CD1-CG2 3.83Å; I112-T291 HydrophobicContact CG1-CG2 3.88Å; I112-I329 HydrophobicContact CD1-CG2 3.73Å; I112-I329 HydrophobicContact CG2-CG2 4.48Å; I112-F333 HydrophobicContact CD1-CB 4.04Å; I112-F333 HydrophobicContact CD1-CD1 3.65Å; I112-F333 HydrophobicContact CD1-CD2 3.77Å; I112-F333 HydrophobicContact CD1-CE1 3.96Å; I112-F333 HydrophobicContact CD1-CE2 4.07Å; I112-F333 HydrophobicContact CD1-CG 3.53Å; I112-F333 HydrophobicContact CD1-CZ 4.16Å; I112-F333 HydrophobicContact CG1-CD1 3.98Å; I112-F333 HydrophobicContact CG1-CE1 3.99Å; I112-F333 HydrophobicContact CG1-CG 4.37Å; I112-F333 HydrophobicContact CG1-CZ 4.4Å; I112-F333 HydrophobicContact CG2-CE1 4.11Å; I112-F333 HydrophobicContact CG2-CE2 4.32Å; I112-F333 HydrophobicContact CG2-CZ 3.81Å; I112-I363 HydrophobicContact CG2-CG1 4.28Å
113I90.3Very high90.2Very high46 Ų4640.5 Ų40.524%0.23623%0.23CC..  trans-98.6127.2-173.8-58.3-178000110.1P127 Y284I113-P127 HydrophobicContact CD1-CB 4.24Å; I113-P127 HydrophobicContact CD1-CG 3.72Å; I113-P127 HydrophobicContact CG1-CG 4.48Å; I113-Y284 HydrophobicContact CD1-CD1 4.19Å; I113-Y284 HydrophobicContact CD1-CE1 3.87Å; I113-Y284 HydrophobicContact CG1-CD1 4.08Å; I113-Y284 HydrophobicContact CG1-CE1 4.28Å
114C91.3Very high90.3Very high5 Ų540 Ų403%0.03423%0.227CC..  trans-116.4133167.2-64.50000109N116 I117 M289 I366 E367C114-N116 VanDerWaalsContact C-N 3.26Å; C114-N116 PolarHBondContact O-N 2.98Å; C114-I117 HydrophobicContact CB-CB 4.37Å; C114-I117 HydrophobicContact CB-CG1 3.75Å; C114-I117 PolarHBondContact O-N 3.31Å; C114-I117 VanDerWaalsContact O-N 3.17Å; C114-M289 WeakPolarHBondContact SG-CE 3.4Å; C114-I366 HydrophobicContact CB-CG2 3.96Å; C114-E367 HydrophobicContact CB-CG 4.34Å
115K91.8Very high90.7Very high170 Ų17042.9 Ų42.974%0.73924%0.24SC*.THydrogen-bonded Turntrans-61.4-32.1-172.9-69.3165.4-166.91530113.9E367K115-E367 VanDerWaalsContact CB-OE1 3.31Å; K115-E367 WeakPolarHBondContact CB-OE1 3.42Å; K115-E367 WeakPolarHBondContact CD-OE1 3.44Å; K115-E367 WeakPolarHBondContact CG-OE1 3.44Å; K115-E367 PolarHBondContact N-OE1 3.39Å; K115-E367 IonicContact NZ-OE2 3.26Å
116N92.3Very high91Very high50 Ų5047.3 Ų47.327%0.26725%0.254SS..THydrogen-bonded Turntrans-89.3-1.2-177.168.4-29.5000113.8C114 P118 I366C114-N116 VanDerWaalsContact C-N 3.26Å; C114-N116 PolarHBondContact O-N 2.98Å; N116-P118 WeakPolarHBondContact O-CD 3.46Å; N116-I366 PolarHBondContact ND2-O 3.07Å
117I92.1Very high91.1Very high9 Ų948.4 Ų48.45%0.04626%0.262CS..SBendtrans-94113.9174-56.5-55.3000108.4C114 I366 M371 L375 C378 I379C114-I117 HydrophobicContact CB-CB 4.37Å; C114-I117 HydrophobicContact CB-CG1 3.75Å; C114-I117 PolarHBondContact O-N 3.31Å; C114-I117 VanDerWaalsContact O-N 3.17Å; I117-I366 HydrophobicContact CD1-CG2 3.99Å; I117-I366 HydrophobicContact CG1-CG2 4.03Å; I117-M371 HydrophobicContact CD1-SD 4.17Å; I117-L375 HydrophobicContact CD1-CB 3.9Å; I117-L375 HydrophobicContact CD1-CD2 4.35Å; I117-L375 HydrophobicContact CG1-CD2 4.45Å; I117-C378 HydrophobicContact CG2-CB 4.04Å; I117-I379 HydrophobicContact CD1-CD1 3.93Å; I117-I379 HydrophobicContact CD1-CG1 4.08Å
118P90.1Very high91.2Very high63 Ų6348.4 Ų48.441%0.40926%0.261SS..  trans-67139.1178.828.5-34.2000110.1N116 C378N116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-C378 WeakPolarHBondContact CG-O 3.34Å
119R88.7Confident91.2Very high76 Ų7648.2 Ų48.229%0.28726%0.261SS..  trans-88142.8174.3-68.8160.2-83.2-143.4-7.8109.2V121 W124 V125 G283 Y284R119-V121 VanDerWaalsContact C-N 3.26Å; R119-V121 WeakPolarHBondContact CB-O 3.49Å; R119-W124 WeakPolarHBondContact CD-O 3.36Å; R119-W124 VanDerWaalsContact CZ-O 3.29Å; R119-W124 PolarHBondContact NE-O 3.47Å; R119-W124 PolarHBondContact NH1-O 2.96Å; R119-V125 PolarHBondContact NH1-O 3.2Å; R119-G283 CarbonylContact C-O 3.52Å; R119-G283 WeakPolarHBondContact CA-O 3.22Å; R119-G283 WeakPolarHBondContact CB-O 3.34Å; R119-Y284 HydrophobicContact CG-CD1 4.14Å
120L86.4Confident91.4Very high124 Ų12447.3 Ų47.365%0.64926%0.257SS*.SBendtrans-68.9-32.3174-60.6178.7000111Q282 G283L120-Q282 HydrophobicContact CD1-CG 3.96Å; L120-Q282 VanDerWaalsContact CD1-O 3.32Å; L120-Q282 WeakPolarHBondContact CD1-O 3.33Å; L120-G283 PolarHBondContact N-O 3.18Å
121V89.6Confident91.7Very high32 Ų3245.9 Ų45.919%0.19425%0.251CS..SBendtrans-101.2103172.2-173.10000108.1R119 G123 W124 L258R119-V121 VanDerWaalsContact C-N 3.26Å; R119-V121 WeakPolarHBondContact CB-O 3.49Å; V121-G123 VanDerWaalsContact C-N 3.26Å; V121-G123 PolarHBondContact O-N 3.45Å; V121-W124 HydrophobicContact CB-CD2 3.63Å; V121-W124 HydrophobicContact CB-CE3 3.9Å; V121-W124 HydrophobicContact CB-CG 3.97Å; V121-W124 HydrophobicContact CB-CH2 4.5Å; V121-W124 HydrophobicContact CB-CZ2 4.27Å; V121-W124 HydrophobicContact CB-CZ3 4.34Å; V121-W124 HydrophobicContact CG1-CD2 3.85Å; V121-W124 HydrophobicContact CG1-CG 3.89Å; V121-W124 HydrophobicContact CG1-CZ2 4.28Å; V121-W124 HydrophobicContact CG2-CD2 4.19Å; V121-W124 HydrophobicContact CG2-CE3 4.17Å; V121-W124 HydrophobicContact CG2-CH2 3.99Å; V121-W124 HydrophobicContact CG2-CZ2 4Å; V121-W124 HydrophobicContact CG2-CZ3 4.09Å; V121-W124 PolarHBondContact O-N 3.01Å; V121-L258 HydrophobicContact CG1-CD2 4.45Å; V121-L258 HydrophobicContact CG2-CD2 3.96Å
122S88.8Confident92Very high112 Ų11246.5 Ų46.578%0.78325%0.252SS*.THydrogen-bonded Turntrans-64.3-26.9-170.954.60000114.3W124S122-W124 VanDerWaalsContact C-N 3.3Å; S122-W124 PolarHBondContact O-N 3.27Å
123G90.4Very high92.2Very high33 Ų3346.1 Ų46.134%0.3425%0.25SC..THydrogen-bonded Turntrans-72.9-16179.200000114.6V121 V125 E261V121-G123 VanDerWaalsContact C-N 3.26Å; V121-G123 PolarHBondContact O-N 3.45Å; G123-V125 PolarHBondContact O-N 3.39Å; G123-E261 WeakPolarHBondContact O-CA 3.08Å
124W92.9Very high92Very high10 Ų1044.7 Ų44.74%0.03825%0.245CC..  trans-77.583.7-173.5-73.5-2.9000113R119 V121 S122 I128 A257 L258 V280 Y284R119-W124 WeakPolarHBondContact CD-O 3.36Å; R119-W124 VanDerWaalsContact CZ-O 3.29Å; R119-W124 PolarHBondContact NE-O 3.47Å; R119-W124 PolarHBondContact NH1-O 2.96Å; V121-W124 HydrophobicContact CB-CD2 3.63Å; V121-W124 HydrophobicContact CB-CE3 3.9Å; V121-W124 HydrophobicContact CB-CG 3.97Å; V121-W124 HydrophobicContact CB-CH2 4.5Å; V121-W124 HydrophobicContact CB-CZ2 4.27Å; V121-W124 HydrophobicContact CB-CZ3 4.34Å; V121-W124 HydrophobicContact CG1-CD2 3.85Å; V121-W124 HydrophobicContact CG1-CG 3.89Å; V121-W124 HydrophobicContact CG1-CZ2 4.28Å; V121-W124 HydrophobicContact CG2-CD2 4.19Å; V121-W124 HydrophobicContact CG2-CE3 4.17Å; V121-W124 HydrophobicContact CG2-CH2 3.99Å; V121-W124 HydrophobicContact CG2-CZ2 4Å; V121-W124 HydrophobicContact CG2-CZ3 4.09Å; V121-W124 PolarHBondContact O-N 3.01Å; S122-W124 VanDerWaalsContact C-N 3.3Å; S122-W124 PolarHBondContact O-N 3.27Å; W124-I128 HydrophobicContact CD2-CD1 4.07Å; W124-I128 HydrophobicContact CG-CD1 4.47Å; W124-I128 HydrophobicContact CH2-CD1 4.47Å; W124-I128 HydrophobicContact CZ2-CD1 3.95Å; W124-A257 PolarHBondContact NE1-O 3.03Å; W124-L258 HydrophobicContact CZ2-CD2 4.14Å; W124-V280 HydrophobicContact CH2-CG2 4.16Å; W124-Y284 HydrophobicContact CB-CE1 3.88Å; W124-Y284 WeakPolarHBondContact CB-OH 3.12Å; W124-Y284 HydrophobicContact CD2-CE2 4.22Å; W124-Y284 AromaticContact CE3-CD2 3.9Å; W124-Y284 HydrophobicContact CE3-CD2 3.9Å; W124-Y284 HydrophobicContact CE3-CE1 4.33Å; W124-Y284 AromaticContact CE3-CE2 3.47Å; W124-Y284 HydrophobicContact CE3-CE2 3.47Å; W124-Y284 VanDerWaalsContact CE3-CE2 3.47Å; W124-Y284 HydrophobicContact CE3-CG 4.45Å; W124-Y284 AromaticContact CE3-CZ 3.7Å; W124-Y284 HydrophobicContact CZ3-CD2 4.13Å; W124-Y284 AromaticContact CZ3-CE2 3.91Å; W124-Y284 HydrophobicContact CZ3-CE2 3.91Å
125V90.7Very high91.9Very high86 Ų8646.1 Ų46.152%0.52125%0.251SS..  trans-79.9-41.2-178.7-176.70000112.2R119 G123 E261R119-V125 PolarHBondContact NH1-O 3.2Å; G123-V125 PolarHBondContact O-N 3.39Å; V125-E261 PolarHBondContact N-O 3.46Å
126K92.8Very high91.8Very high107 Ų10738 Ų3847%0.46522%0.216SC..SBendtrans-106.6155.2-178.5-63.7173.4-174.7167.90110.7E261 G262 Y284K126-E261 PolarHBondContact N-O 3.4Å; K126-G262 WeakPolarHBondContact O-CA 3.4Å; K126-Y284 PolarHBondContact O-OH 2.98Å
127P92.8Very high91.9Very high24 Ų2435.6 Ų35.616%0.15620%0.203CC..  trans-61.4152.6179.4-15.226.6000112.8E110 I113 W204 G263E110-P127 HydrophobicContact CG-CB 4.31Å; I113-P127 HydrophobicContact CD1-CB 4.24Å; I113-P127 HydrophobicContact CD1-CG 3.72Å; I113-P127 HydrophobicContact CG1-CG 4.48Å; P127-W204 HydrophobicContact CB-CH2 3.89Å; P127-W204 HydrophobicContact CB-CZ3 4.24Å; P127-W204 HydrophobicContact CG-CH2 3.75Å; P127-G263 WeakPolarHBondContact O-CA 3.07Å; P127-G263 PolarHBondContact O-N 3.36Å
128I95.3Very high91.7Very high0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-108.4130.1163.3-63.9166.9000107W124 I130 F264 W266 V280 Y284W124-I128 HydrophobicContact CD2-CD1 4.07Å; W124-I128 HydrophobicContact CG-CD1 4.47Å; W124-I128 HydrophobicContact CH2-CD1 4.47Å; W124-I128 HydrophobicContact CZ2-CD1 3.95Å; I128-I130 HydrophobicContact CG2-CD1 4.3Å; I128-F264 HydrophobicContact CB-CZ 4.41Å; I128-F264 HydrophobicContact CD1-CE1 4.01Å; I128-F264 HydrophobicContact CD1-CZ 3.75Å; I128-F264 HydrophobicContact CG1-CD1 4.47Å; I128-F264 HydrophobicContact CG1-CE1 3.76Å; I128-F264 HydrophobicContact CG1-CE2 4.38Å; I128-F264 HydrophobicContact CG1-CZ 3.71Å; I128-F264 HydrophobicContact CG2-CD2 4.34Å; I128-F264 HydrophobicContact CG2-CE2 3.7Å; I128-F264 HydrophobicContact CG2-CZ 3.83Å; I128-W266 HydrophobicContact CG2-CE3 4.49Å; I128-V280 HydrophobicContact CB-CG1 4.14Å; I128-V280 HydrophobicContact CG2-CG2 4.49Å; I128-Y284 HydrophobicContact CB-CE2 4.41Å; I128-Y284 PolarHBondContact N-OH 2.79Å
129I96.1Very high91.3Very high1 Ų140.6 Ų40.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-104.3118.8176.1-62.9176000108.9F108 R109 E110 K202 W204 F264 I265 W266F108-I129 HydrophobicContact CB-CG2 4.07Å; F108-I129 HydrophobicContact CD1-CG2 3.89Å; F108-I129 HydrophobicContact CG-CG2 4.45Å; R109-I129 CarbonylContact O-C 3.57Å; R109-I129 VanDerWaalsContact O-CA 3.29Å; R109-I129 WeakPolarHBondContact O-CA 3.38Å; E110-I129 HydrophobicContact CB-CD1 4.33Å; E110-I129 HydrophobicContact CB-CG1 3.86Å; E110-I129 HydrophobicContact CG-CD1 4.04Å; E110-I129 HydrophobicContact CG-CG1 3.73Å; I129-K202 HydrophobicContact CD1-CD 4.05Å; I129-K202 HydrophobicContact CD1-CG 4.07Å; I129-W204 HydrophobicContact CD1-CE3 4.22Å; I129-W204 HydrophobicContact CD1-CH2 4.47Å; I129-W204 HydrophobicContact CD1-CZ3 3.73Å; I129-W204 HydrophobicContact CG1-CZ3 3.93Å; I129-F264 PolarHBondContact N-O 3.04Å; I129-F264 VanDerWaalsContact N-O 3.13Å; I129-I265 HydrophobicContact CB-CD1 3.65Å; I129-I265 HydrophobicContact CD1-CD1 3.62Å; I129-I265 HydrophobicContact CG1-CD1 4.07Å; I129-I265 HydrophobicContact CG2-CD1 4.06Å; I129-I265 HydrophobicContact CG2-CG2 4.46Å; I129-I265 CarbonylContact O-C 3.56Å; I129-I265 WeakPolarHBondContact O-CA 3.26Å; I129-W266 PolarHBondContact O-N 3.1Å
130I96.9Very high91.1Very high1 Ų139.8 Ų39.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-91.5116.9174.4-60.5-70.6000108.7F108 R109 I128 W266 C268 Q276 V280F108-I130 CarbonylContact C-O 3.58Å; F108-I130 VanDerWaalsContact CA-O 3.3Å; F108-I130 WeakPolarHBondContact CA-O 3.39Å; R109-I130 PolarHBondContact N-O 3.04Å; R109-I130 PolarHBondContact O-N 3.13Å; I128-I130 HydrophobicContact CG2-CD1 4.3Å; I130-W266 CarbonylContact C-O 3.54Å; I130-W266 WeakPolarHBondContact CA-O 3.27Å; I130-W266 HydrophobicContact CD1-CB 4.02Å; I130-W266 HydrophobicContact CD1-CD2 3.76Å; I130-W266 HydrophobicContact CD1-CE3 3.43Å; I130-W266 VanDerWaalsContact CD1-CE3 3.43Å; I130-W266 HydrophobicContact CD1-CG 4.05Å; I130-W266 HydrophobicContact CD1-CZ3 4.13Å; I130-C268 HydrophobicContact CG2-CB 4.35Å; I130-Q276 HydrophobicContact CD1-CB 4.26Å; I130-V280 HydrophobicContact CD1-CG2 4.21Å; I130-V280 HydrophobicContact CG1-CG2 4.27Å
131G96.9Very high91.2Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-93.3102.6168.400000110.1V107 F191 W266 A267 C268V107-G131 CarbonylContact O-C 3.58Å; V107-G131 WeakPolarHBondContact O-CA 3.39Å; G131-F191 WeakPolarHBondContact O-CE2 3.33Å; G131-W266 PolarHBondContact N-O 2.81Å; G131-A267 WeakPolarHBondContact O-CA 3.48Å; G131-C268 PolarHBondContact O-N 3.14Å
132R95.4Very high91.2Very high18 Ų1839 Ų397%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-88.7126178.5176.7-173.1171.7172.96110.4T106 V107 A134 Y139 N270 D274T106-R132 WeakPolarHBondContact CG2-O 3.18Å; V107-R132 HydrophobicContact CB-CB 4.45Å; V107-R132 PolarHBondContact N-O 3.46Å; V107-R132 VanDerWaalsContact N-O 3.1Å; V107-R132 PolarHBondContact O-N 3.21Å; R132-A134 VanDerWaalsContact C-N 3.27Å; R132-A134 HydrophobicContact CG-CB 4.35Å; R132-A134 PolarHBondContact O-N 2.97Å; R132-Y139 VanDerWaalsContact NH2-CZ 3.3Å; R132-N270 PolarHBondContact NE-O 3.16Å; R132-N270 PolarHBondContact NE-OD1 3.35Å; R132-N270 PolarHBondContact NH2-OD1 2.77Å; R132-D274 IonicContact CZ-OD1 3.28Å; R132-D274 IonicContact NH1-OD1 3.74Å; R132-D274 PolarHBondContact NH1-OD1 2.89Å; R132-D274 IonicContact NH1-OD2 3.18Å; R132-D274 IonicContact NH2-OD1 2.81Å; R132-D274 IonicContact NH2-OD2 3.6Å
133H93.8Very high91.3Very high1 Ų139.5 Ų39.51%0.00521%0.214CC..  trans-55.4-36.8177.9-175.7-160.5000114.2H135 N183 S187 F191 F222 C268H133-H135 PolarHBondContact O-N 3.42Å; H133-N183 PolarHBondContact CE1-ND2 2.8Å; H133-N183 PolarHBondContact CE1-OD1 3.2Å; H133-N183 VanDerWaalsContact CE1-OD1 3.27Å; H133-N183 PolarHBondContact ND1-ND2 2.85Å; H133-S187 PolarHBondContact NE2-O 3.32Å; H133-S187 VanDerWaalsContact NE2-O 3.12Å; H133-S187 PolarHBondContact NE2-OG 3.04Å; H133-F191 HydrophobicContact CB-CD1 3.82Å; H133-F191 HydrophobicContact CB-CD2 4.25Å; H133-F191 HydrophobicContact CB-CE1 3.85Å; H133-F191 HydrophobicContact CB-CE2 4.28Å; H133-F191 HydrophobicContact CB-CG 4.02Å; H133-F191 HydrophobicContact CB-CZ 4.07Å; H133-F191 VanDerWaalsContact CD2-CB 3.43Å; H133-F191 WeakPolarHBondContact CD2-CB 3.41Å; H133-F191 AromaticContact CD2-CD1 3.83Å; H133-F191 AromaticContact CD2-CG 3.62Å; H133-F191 AromaticContact CG-CD1 3.77Å; H133-F191 AromaticContact CG-CG 3.95Å; H133-F222 AromaticContact CE1-CE1 3.72Å; H133-F222 AromaticContact CE1-CZ 3.75Å; H133-F222 AromaticContact ND1-CE1 3.4Å; H133-F222 WeakPolarHBondContact ND1-CE1 3.42Å; H133-F222 AromaticContact ND1-CZ 3.55Å; H133-C268 PolarHBondContact N-O 2.84Å
134A87.6Confident91.4Very high17 Ų1742.9 Ų42.914%0.1422%0.219CC..  trans56.521.8173.500000116.3V107 R132 N270V107-A134 HydrophobicContact CG2-CB 4.07Å; R132-A134 VanDerWaalsContact C-N 3.27Å; R132-A134 HydrophobicContact CG-CB 4.35Å; R132-A134 PolarHBondContact O-N 2.97Å; A134-N270 WeakPolarHBondContact CA-OD1 3.25Å
135H89.1Confident91.5Very high34 Ų3447.8 Ų47.816%0.15725%0.25CC..SBendtrans-135.6148.3173.9180-91.7000111.9H133 K140 N183 S187 N270H133-H135 PolarHBondContact O-N 3.42Å; H135-K140 PolarHBondContact CD2-NZ 3.14Å; H135-K140 PolarHBondContact NE2-NZ 2.95Å; H135-N183 PolarHBondContact ND1-OD1 2.87Å; H135-N183 PolarHBondContact O-ND2 2.89Å; H135-N183 VanDerWaalsContact O-ND2 3.12Å; H135-S187 WeakPolarHBondContact CB-OG 3.48Å; H135-S187 PolarHBondContact ND1-OG 3.2Å; H135-N270 PolarHBondContact N-ND2 3.36Å; H135-N270 PolarHBondContact O-ND2 3.28Å
136G90.1Very high91.8Very high0 Ų044.1 Ų44.10%023%0.228CC..SBendtrans61.6-148.2170.700000113.9Y139 Y182 N270G136-Y139 PolarHBondContact O-N 2.88Å; G136-Y182 WeakPolarHBondContact CA-O 3.48Å; G136-N270 PolarHBondContact O-ND2 3.47Å
137D94.5Very high92Very high0 Ų044.9 Ų44.90%024%0.244CC..G310 helixtrans53.5-144.9-178.3-56.9-12000111.1Y139 K140 A141 M181 Y182 N183 Y218 K269 N270D137-Y139 PolarHBondContact O-N 3.12Å; D137-K140 PolarHBondContact O-N 2.68Å; D137-A141 PolarHBondContact O-N 2.89Å; D137-M181 HydrophobicContact CB-SD 4.27Å; D137-Y182 PolarHBondContact N-O 3.19Å; D137-N183 PolarHBondContact OD1-ND2 2.94Å; D137-Y218 WeakPolarHBondContact OD1-CE1 3.08Å; D137-Y218 PolarHBondContact OD1-OH 3.31Å; D137-K269 WeakPolarHBondContact OD2-CE 3.45Å; D137-N270 HydrophobicContact CB-CB 4.24Å
138Q87.6Confident92.1Very high85 Ų8544.4 Ų44.440%0.39724%0.243SC..G310 helixtrans-57.4-24.1-179-63.487.5-1700113.3K140 A141 M181Q138-K140 VanDerWaalsContact C-N 3.29Å; Q138-K140 PolarHBondContact O-N 3.06Å; Q138-A141 WeakPolarHBondContact O-CB 3.47Å; Q138-A141 PolarHBondContact O-N 3.47Å; Q138-M181 HydrophobicContact CG-CE 3.72Å; Q138-M181 HydrophobicContact CG-SD 4.46Å
139Y81.3Confident92.2Very high91 Ų9149.4 Ų49.436%0.35728%0.275SS..G310 helixtrans-80.9-8.6-175.2-60.5-97.1000113.4R132 G136 D137 N270 D274R132-Y139 VanDerWaalsContact NH2-CZ 3.3Å; G136-Y139 PolarHBondContact O-N 2.88Å; D137-Y139 PolarHBondContact O-N 3.12Å; Y139-N270 HydrophobicContact CD2-CB 3.88Å; Y139-N270 WeakPolarHBondContact CD2-ND2 3.43Å; Y139-N270 HydrophobicContact CE2-CB 4.04Å; Y139-D274 WeakPolarHBondContact OH-CB 3.34Å; Y139-D274 PolarHBondContact OH-OD2 2.98Å
140K84.8Confident92.3Very high60 Ų6050.6 Ų50.626%0.26129%0.288SS..G310 helixtrans-132.628.5169.5-61.2-171.8-179.9179.20111N101 H135 D137 Q138 Y182N101-K140 WeakPolarHBondContact OD1-CE 3.41Å; N101-K140 PolarHBondContact OD1-NZ 2.93Å; H135-K140 PolarHBondContact CD2-NZ 3.14Å; H135-K140 PolarHBondContact NE2-NZ 2.95Å; D137-K140 PolarHBondContact O-N 2.68Å; Q138-K140 VanDerWaalsContact C-N 3.29Å; Q138-K140 PolarHBondContact O-N 3.06Å; K140-Y182 HydrophobicContact CB-CE1 3.95Å; K140-Y182 WeakPolarHBondContact CD-OH 3.45Å
141A87.1Confident92.3Very high29 Ų2955.4 Ų55.424%0.2431%0.309CS..  trans-74.8163.8176.800000111.2D137 Q138 G180 M181D137-A141 PolarHBondContact O-N 2.89Å; Q138-A141 WeakPolarHBondContact O-CB 3.47Å; Q138-A141 PolarHBondContact O-N 3.47Å; A141-G180 CarbonylContact C-O 3.37Å; A141-G180 WeakPolarHBondContact CA-O 3.43Å; A141-G180 WeakPolarHBondContact CB-O 3.39Å; A141-M181 HydrophobicContact CB-CB 4.02Å
142T89.9Confident92.3Very high111 Ų11156.5 Ų56.568%0.68132%0.316SS*.EExtended strand (participates in β ladder)trans-118126.6162.8-59.30000107.5L179 G180T142-L179 CarbonylContact O-C 3.59Å; T142-L179 VanDerWaalsContact O-CA 3.26Å; T142-L179 WeakPolarHBondContact O-CA 3.25Å; T142-G180 PolarHBondContact N-O 3.3Å; T142-G180 PolarHBondContact O-N 2.96Å
143D91.4Very high92.4Very high121 Ų12158.5 Ų58.565%0.64733%0.326SS*.EExtended strand (participates in β ladder)trans-129.9156.5-178.165.6-47.6000111.5A178 L179D143-A178 VanDerWaalsContact CA-O 3.29Å; D143-A178 WeakPolarHBondContact CA-O 3.41Å; D143-L179 HydrophobicContact CB-CB 3.78Å
144F91.8Very high92.6Very high105 Ų10563 Ų6346%0.46135%0.348SS..EExtended strand (participates in β ladder)trans-157.3157.8175.969.2-75.9000111.6V146 V152 A178F144-V146 HydrophobicContact CD2-CG2 4.33Å; F144-V146 HydrophobicContact CE2-CG2 3.7Å; F144-V146 HydrophobicContact CZ-CG2 4.09Å; F144-V152 HydrophobicContact CZ-CG1 4.5Å; F144-V152 HydrophobicContact CZ-CG2 4.01Å; F144-A178 HydrophobicContact CD1-CB 4.35Å; F144-A178 HydrophobicContact CE1-CB 3.72Å; F144-A178 HydrophobicContact CZ-CB 3.95Å; F144-A178 PolarHBondContact N-O 2.93Å; F144-A178 PolarHBondContact O-N 3.22Å; F144-A178 VanDerWaalsContact O-N 3.09Å
145V95.8Very high93.1Very high112 Ų11267 Ų6768%0.67937%0.366SS*.EExtended strand (participates in β ladder)trans-82.8123.3170.3-178.70000108.6P147 V177V145-P147 WeakPolarHBondContact O-CD 3.47Å; V145-V177 HydrophobicContact CG2-CG1 4.44Å
146V97.2Very high93.5Very high9 Ų972.6 Ų72.66%0.05539%0.387CS..EExtended strand (participates in β ladder)trans-78.8117.7173.2-176.80000107.6F144 G148 V152 F171 G175 G176 A178F144-V146 HydrophobicContact CD2-CG2 4.33Å; F144-V146 HydrophobicContact CE2-CG2 3.7Å; F144-V146 HydrophobicContact CZ-CG2 4.09Å; V146-G148 VanDerWaalsContact C-N 3.32Å; V146-G148 WeakPolarHBondContact CG1-O 3.44Å; V146-G148 PolarHBondContact O-N 2.86Å; V146-V152 HydrophobicContact CG2-CG2 4.15Å; V146-F171 HydrophobicContact CB-CD1 4.41Å; V146-F171 HydrophobicContact CB-CE1 4.47Å; V146-F171 HydrophobicContact CG1-CB 4.25Å; V146-F171 HydrophobicContact CG1-CD1 4.28Å; V146-F171 HydrophobicContact CG1-CD2 4.11Å; V146-F171 HydrophobicContact CG1-CG 3.94Å; V146-F171 HydrophobicContact CG2-CD2 4.28Å; V146-F171 HydrophobicContact CG2-CE1 4.17Å; V146-F171 HydrophobicContact CG2-CE2 3.95Å; V146-F171 HydrophobicContact CG2-CZ 3.88Å; V146-G175 CarbonylContact O-C 3.55Å; V146-G175 WeakPolarHBondContact O-CA 3.37Å; V146-G176 PolarHBondContact N-O 3.01Å; V146-G176 PolarHBondContact O-N 3.35Å; V146-A178 HydrophobicContact CG2-CB 4.11Å
147P96.3Very high93.9Very high124 Ų12477 Ų7781%0.80541%0.414SS*.  trans-79.1-9-167.630.6-36.5000114.9V145V145-P147 WeakPolarHBondContact O-CD 3.47Å
148G96.2Very high94Very high14 Ų1478.2 Ų78.214%0.14442%0.422CS..SBendtrans173-163.1-173.900000112.4V146 G150V146-G148 VanDerWaalsContact C-N 3.32Å; V146-G148 WeakPolarHBondContact CG1-O 3.44Å; V146-G148 PolarHBondContact O-N 2.86Å; G148-G150 PolarHBondContact O-N 2.85Å
149P97.4Very high94.4Very high104 Ų10481 Ų8168%0.67544%0.444SS*.SBendtrans-60134.4-179.9-20.432.5000111.5F171 G173P149-F171 WeakPolarHBondContact CA-O 3.49Å; P149-G173 WeakPolarHBondContact CD-O 3.33Å; P149-G173 VanDerWaalsContact CG-O 3.26Å; P149-G173 WeakPolarHBondContact CG-O 3.3Å
150G96.8Very high95Very high27 Ų2783.7 Ų83.728%0.27847%0.465SS..EExtended strand (participates in β ladder)trans173.7171.5-175.700000113.5G148 Q170 F171G148-G150 PolarHBondContact O-N 2.85Å; G150-Q170 PolarHBondContact O-NE2 3.01Å; G150-F171 PolarHBondContact N-O 3.02Å; G150-F171 WeakPolarHBondContact O-CB 3.17Å; G150-F171 PolarHBondContact O-N 3.27Å
151K97Very high95.4Very high102 Ų10283.5 Ų83.544%0.44348%0.481SS..EExtended strand (participates in β ladder)trans-108.9129.8-179.5-169.6176.948161.30110.2E153 V167K151-E153 HydrophobicContact CD-CG 3.89Å; K151-E153 VanDerWaalsContact CE-OE1 3.25Å; K151-E153 WeakPolarHBondContact CE-OE1 3.37Å; K151-E153 WeakPolarHBondContact CE-OE2 3.33Å; K151-E153 HydrophobicContact CG-CG 3.82Å; K151-E153 IonicContact NZ-OE1 3.09Å; K151-E153 PolarHBondContact NZ-OE1 3.04Å; K151-E153 IonicContact NZ-OE2 2.77Å; K151-E153 PolarHBondContact NZ-OE2 3.3Å; K151-V167 HydrophobicContact CD-CG1 4.3Å; K151-V167 HydrophobicContact CD-CG2 4.4Å; K151-V167 HydrophobicContact CG-CG1 4.2Å
152V98Very high95.9Very high23 Ų2390 Ų9014%0.13951%0.506CS..EExtended strand (participates in β ladder)trans-106.6127.1171.3177.30000109.1F144 V146 V168 H169 F171 A178F144-V152 HydrophobicContact CZ-CG1 4.5Å; F144-V152 HydrophobicContact CZ-CG2 4.01Å; V146-V152 HydrophobicContact CG2-CG2 4.15Å; V152-V168 HydrophobicContact CG1-CB 4.16Å; V152-V168 HydrophobicContact CG1-CG2 4.39Å; V152-V168 WeakPolarHBondContact O-CB 3.24Å; V152-V168 PolarHBondContact O-N 2.89Å; V152-H169 PolarHBondContact N-O 2.81Å; V152-H169 PolarHBondContact O-N 3.12Å; V152-F171 HydrophobicContact CB-CD2 4.44Å; V152-F171 HydrophobicContact CB-CE2 3.95Å; V152-F171 HydrophobicContact CG2-CD2 3.78Å; V152-F171 HydrophobicContact CG2-CE2 3.43Å; V152-F171 VanDerWaalsContact CG2-CE2 3.43Å; V152-A178 HydrophobicContact CG1-CB 4.1Å; V152-A178 HydrophobicContact CG2-CB 4.33Å
153E98Very high96.2Very high59 Ų5988 Ų8828%0.27650%0.495SS..EExtended strand (participates in β ladder)trans-130.1148.7-176.7-58.1176.8111.600109.9K151 K165 Y166 V167K151-E153 HydrophobicContact CD-CG 3.89Å; K151-E153 VanDerWaalsContact CE-OE1 3.25Å; K151-E153 WeakPolarHBondContact CE-OE1 3.37Å; K151-E153 WeakPolarHBondContact CE-OE2 3.33Å; K151-E153 HydrophobicContact CG-CG 3.82Å; K151-E153 IonicContact NZ-OE1 3.09Å; K151-E153 PolarHBondContact NZ-OE1 3.04Å; K151-E153 IonicContact NZ-OE2 2.77Å; K151-E153 PolarHBondContact NZ-OE2 3.3Å; E153-K165 HydrophobicContact CB-CG 4.41Å; E153-K165 WeakPolarHBondContact OE1-CD 3.42Å; E153-K165 WeakPolarHBondContact OE1-CE 3.34Å; E153-K165 IonicContact OE1-NZ 2.98Å; E153-K165 PolarHBondContact OE1-NZ 3.17Å; E153-K165 WeakPolarHBondContact OE2-CE 3.11Å; E153-K165 IonicContact OE2-NZ 3.31Å; E153-K165 PolarHBondContact OE2-NZ 3.42Å; E153-Y166 CarbonylContact C-O 3.54Å; E153-Y166 VanDerWaalsContact CA-O 3.27Å; E153-Y166 WeakPolarHBondContact CA-O 3.48Å; E153-V167 HydrophobicContact CG-CG2 4.29Å
154M97.9Very high96.5Very high97 Ų9785.1 Ų85.148%0.47848%0.482SS..EExtended strand (participates in β ladder)trans-109.5128.6172.1-171.1179.3-60.400108.4K165 Y166 V168M154-K165 WeakPolarHBondContact O-CA 3.22Å; M154-Y166 PolarHBondContact N-O 3.14Å; M154-Y166 PolarHBondContact O-N 3.25Å; M154-V168 HydrophobicContact CB-CG2 4.01Å; M154-V168 HydrophobicContact CE-CG2 4.39Å
155I97.8Very high96.7Very high101 Ų10185.2 Ų85.252%0.51848%0.482SS..EExtended strand (participates in β ladder)trans-121.5127.6-178.2-58.3169.2000108.2P163 V164 K165I155-P163 HydrophobicContact CG2-CB 4.18Å; I155-V164 WeakPolarHBondContact CA-O 3.39Å; I155-K165 HydrophobicContact CG1-CG 4.03Å
156Y97.3Very high96.8Very high151 Ų15185.8 Ų85.859%0.59247%0.473SS*.EExtended strand (participates in β ladder)trans-111.5116.7169.4173.6-112.4000108.9P158 P163 V164Y156-P158 HydrophobicContact CE1-CB 3.98Å; Y156-P163 CarbonylContact O-C 3.53Å; Y156-P163 WeakPolarHBondContact O-CA 3.27Å; Y156-V164 PolarHBondContact N-O 2.57Å; Y156-V164 PolarHBondContact O-N 2.89Å
157T97.6Very high96.9Very high91 Ų9189.7 Ų89.756%0.55850%0.497SS*.  trans-104.6106.9176.3-58.10000108.6P163T157-P163 HydrophobicContact CG2-CG 4.01Å
158P96.6Very high96.9Very high26 Ų2687.7 Ų87.717%0.16948%0.482CS..  trans-68.5156.6175.631.1-34.4000110.3Y156 D160 E162Y156-P158 HydrophobicContact CE1-CB 3.98Å; P158-D160 PolarHBondContact O-N 3.44Å; P158-E162 WeakPolarHBondContact CD-O 3.49Å
159T96.2Very high97Very high143 Ų14391.9 Ų91.988%0.87750%0.497SS*.SBendtrans-61.5-39173.2-51.60000111.1
160D94.5Very high97Very high148 Ų14891.5 Ų91.579%0.79149%0.487SS*.SBendtrans-122.8115.7176.1-57.4-55.2000108.8P158P158-D160 PolarHBondContact O-N 3.44Å
161G93.6Very high97Very high57 Ų5791.5 Ų91.559%0.58848%0.479SS*.SBendtrans119.6-179177.300000114.4
162E96.1Very high96.9Very high165 Ų16594.5 Ų94.577%0.77149%0.494SS*.  trans-82.6142.8-175.7-68.2-59139.900112.7P158P158-E162 WeakPolarHBondContact CD-O 3.49Å
163P96.8Very high96.5Very high68 Ų6895.7 Ų95.744%0.44251%0.511SS..  trans-58139.3172.9-21.931000112.8I155 Y156 T157I155-P163 HydrophobicContact CG2-CB 4.18Å; Y156-P163 CarbonylContact O-C 3.53Å; Y156-P163 WeakPolarHBondContact O-CA 3.27Å; T157-P163 HydrophobicContact CG2-CG 4.01Å
164V97.1Very high96.2Very high62 Ų6299.9 Ų99.938%0.37654%0.541SS..EExtended strand (participates in β ladder)trans-105.5135.7172.7-170.30000109.5I155 Y156 Y166I155-V164 WeakPolarHBondContact CA-O 3.39Å; Y156-V164 PolarHBondContact N-O 2.57Å; Y156-V164 PolarHBondContact O-N 2.89Å; V164-Y166 HydrophobicContact CB-CE2 4.22Å; V164-Y166 HydrophobicContact CG1-CD2 4.43Å; V164-Y166 HydrophobicContact CG1-CE1 4.34Å; V164-Y166 HydrophobicContact CG1-CE2 3.61Å; V164-Y166 WeakPolarHBondContact CG1-OH 3.42Å
165K97.6Very high95.9Very high107 Ų10796.2 Ų96.247%0.46553%0.528SS..EExtended strand (participates in β ladder)trans-120.7135.1-176.2-170.8178.7-143.8-158.90111.5E153 M154 I155E153-K165 HydrophobicContact CB-CG 4.41Å; E153-K165 WeakPolarHBondContact OE1-CD 3.42Å; E153-K165 WeakPolarHBondContact OE1-CE 3.34Å; E153-K165 IonicContact OE1-NZ 2.98Å; E153-K165 PolarHBondContact OE1-NZ 3.17Å; E153-K165 WeakPolarHBondContact OE2-CE 3.11Å; E153-K165 IonicContact OE2-NZ 3.31Å; E153-K165 PolarHBondContact OE2-NZ 3.42Å; M154-K165 WeakPolarHBondContact O-CA 3.22Å; I155-K165 HydrophobicContact CG1-CG 4.03Å
166Y97.5Very high95.9Very high123 Ų12392.6 Ų92.648%0.48252%0.516SS..EExtended strand (participates in β ladder)trans-124.9125.1175.9-57.1-86000109.2E153 M154 V164 V168E153-Y166 CarbonylContact C-O 3.54Å; E153-Y166 VanDerWaalsContact CA-O 3.27Å; E153-Y166 WeakPolarHBondContact CA-O 3.48Å; M154-Y166 PolarHBondContact N-O 3.14Å; M154-Y166 PolarHBondContact O-N 3.25Å; V164-Y166 HydrophobicContact CB-CE2 4.22Å; V164-Y166 HydrophobicContact CG1-CD2 4.43Å; V164-Y166 HydrophobicContact CG1-CE1 4.34Å; V164-Y166 HydrophobicContact CG1-CE2 3.61Å; V164-Y166 WeakPolarHBondContact CG1-OH 3.42Å; Y166-V168 PolarHBondContact O-N 2.86Å
167V97.9Very high95.9Very high92 Ų9290.7 Ų90.756%0.55852%0.52SS*.EExtended strand (participates in β ladder)trans-75.7120.8169.6-177.90000107.7K151 E153K151-V167 HydrophobicContact CD-CG1 4.3Å; K151-V167 HydrophobicContact CD-CG2 4.4Å; K151-V167 HydrophobicContact CG-CG1 4.2Å; E153-V167 HydrophobicContact CG-CG2 4.29Å
168V97.3Very high95.9Very high82 Ų8287 Ų8750%0.49750%0.499SS..EExtended strand (participates in β ladder)trans-81.6-52.7177.3179.90000109.1V152 M154 Y166V152-V168 HydrophobicContact CG1-CB 4.16Å; V152-V168 HydrophobicContact CG1-CG2 4.39Å; V152-V168 WeakPolarHBondContact O-CB 3.24Å; V152-V168 PolarHBondContact O-N 2.89Å; M154-V168 HydrophobicContact CB-CG2 4.01Å; M154-V168 HydrophobicContact CE-CG2 4.39Å; Y166-V168 PolarHBondContact O-N 2.86Å
169H97.8Very high95.9Very high101 Ų10190.5 Ų90.547%0.46852%0.516SS..EExtended strand (participates in β ladder)trans-161.5154178.6-167.862.9000111.6V152 F171V152-H169 PolarHBondContact N-O 2.81Å; V152-H169 PolarHBondContact O-N 3.12Å; H169-F171 HydrophobicContact CB-CD2 4.33Å; H169-F171 HydrophobicContact CB-CE2 3.91Å; H169-F171 HydrophobicContact CB-CZ 4.41Å; H169-F171 AromaticContact CD2-CD1 3.9Å; H169-F171 AromaticContact CD2-CD2 3.74Å; H169-F171 AromaticContact CD2-CE1 3.99Å; H169-F171 AromaticContact CD2-CE2 3.82Å; H169-F171 AromaticContact CD2-CG 3.78Å; H169-F171 AromaticContact CD2-CZ 3.96Å
170Q97.4Very high96Very high97 Ų9785.2 Ų85.245%0.45349%0.489SS..EExtended strand (participates in β ladder)trans-106.2103.6167.7-176.467.747.900107.5G150G150-Q170 PolarHBondContact O-NE2 3.01Å
171F97.3Very high96.1Very high27 Ų2781 Ų8112%0.11847%0.466CS..EExtended strand (participates in β ladder)trans-74.6130.6179.1-71.1-95.3000110.5V146 P149 G150 V152 H169 A178V146-F171 HydrophobicContact CB-CD1 4.41Å; V146-F171 HydrophobicContact CB-CE1 4.47Å; V146-F171 HydrophobicContact CG1-CB 4.25Å; V146-F171 HydrophobicContact CG1-CD1 4.28Å; V146-F171 HydrophobicContact CG1-CD2 4.11Å; V146-F171 HydrophobicContact CG1-CG 3.94Å; V146-F171 HydrophobicContact CG2-CD2 4.28Å; V146-F171 HydrophobicContact CG2-CE1 4.17Å; V146-F171 HydrophobicContact CG2-CE2 3.95Å; V146-F171 HydrophobicContact CG2-CZ 3.88Å; P149-F171 WeakPolarHBondContact CA-O 3.49Å; G150-F171 PolarHBondContact N-O 3.02Å; G150-F171 WeakPolarHBondContact O-CB 3.17Å; G150-F171 PolarHBondContact O-N 3.27Å; V152-F171 HydrophobicContact CB-CD2 4.44Å; V152-F171 HydrophobicContact CB-CE2 3.95Å; V152-F171 HydrophobicContact CG2-CD2 3.78Å; V152-F171 HydrophobicContact CG2-CE2 3.43Å; V152-F171 VanDerWaalsContact CG2-CE2 3.43Å; H169-F171 HydrophobicContact CB-CD2 4.33Å; H169-F171 HydrophobicContact CB-CE2 3.91Å; H169-F171 HydrophobicContact CB-CZ 4.41Å; H169-F171 AromaticContact CD2-CD1 3.9Å; H169-F171 AromaticContact CD2-CD2 3.74Å; H169-F171 AromaticContact CD2-CE1 3.99Å; H169-F171 AromaticContact CD2-CE2 3.82Å; H169-F171 AromaticContact CD2-CG 3.78Å; H169-F171 AromaticContact CD2-CZ 3.96Å; F171-A178 HydrophobicContact CZ-CB 4.45Å
172E94.1Very high96.3Very high164 Ų16483.6 Ų83.677%0.76646%0.459SS*.  trans-117.2150.9172.5-61.7179.8177.700109
173G90.4Very high96.3Very high48 Ų4877.2 Ų77.250%0.49543%0.43SS..SBendtrans82.1-142.3177.400000114.8P149 G175P149-G173 WeakPolarHBondContact CD-O 3.33Å; P149-G173 VanDerWaalsContact CG-O 3.26Å; P149-G173 WeakPolarHBondContact CG-O 3.3Å; G173-G175 VanDerWaalsContact C-N 3.27Å; G173-G175 PolarHBondContact O-N 3.46Å
174T90.8Very high96.3Very high147 Ų14776.4 Ų76.490%0.90242%0.423SS*.SBendtrans-82.57.9-164.956.60000115.2
175G93.4Very high96.3Very high20 Ų2076.6 Ų76.621%0.20642%0.423CS..  trans110.6-156.3-179.100000113.8V146 G173V146-G175 CarbonylContact O-C 3.55Å; V146-G175 WeakPolarHBondContact O-CA 3.37Å; G173-G175 VanDerWaalsContact C-N 3.27Å; G173-G175 PolarHBondContact O-N 3.46Å
176G96.5Very high96.2Very high26 Ų2675 Ų7527%0.26843%0.425SS..EExtended strand (participates in β ladder)trans171.8-153.3-175.900000112.6V146V146-G176 PolarHBondContact N-O 3.01Å; V146-G176 PolarHBondContact O-N 3.35Å
177V97.2Very high96Very high110 Ų11070 Ų7067%0.66741%0.408SS*.EExtended strand (participates in β ladder)trans-135.9148.7176-66.40000109.7V145V145-V177 HydrophobicContact CG2-CG1 4.44Å
178A97.6Very high95.9Very high15 Ų1565.9 Ų65.912%0.12438%0.383CS..EExtended strand (participates in β ladder)trans-140.3151.1174.900000110.2D143 F144 V146 V152 F171D143-A178 VanDerWaalsContact CA-O 3.29Å; D143-A178 WeakPolarHBondContact CA-O 3.41Å; F144-A178 HydrophobicContact CD1-CB 4.35Å; F144-A178 HydrophobicContact CE1-CB 3.72Å; F144-A178 HydrophobicContact CZ-CB 3.95Å; F144-A178 PolarHBondContact N-O 2.93Å; F144-A178 PolarHBondContact O-N 3.22Å; F144-A178 VanDerWaalsContact O-N 3.09Å; V146-A178 HydrophobicContact CG2-CB 4.11Å; V152-A178 HydrophobicContact CG1-CB 4.1Å; V152-A178 HydrophobicContact CG2-CB 4.33Å; F171-A178 HydrophobicContact CZ-CB 4.45Å
179L97.3Very high95.9Very high99 Ų9965.2 Ų65.252%0.51837%0.371SS..EExtended strand (participates in β ladder)trans-143.4154174.169.486000111.2T142 D143 M181T142-L179 CarbonylContact O-C 3.59Å; T142-L179 VanDerWaalsContact O-CA 3.26Å; T142-L179 WeakPolarHBondContact O-CA 3.25Å; D143-L179 HydrophobicContact CB-CB 3.78Å; L179-M181 HydrophobicContact CD1-CE 3.41Å; L179-M181 VanDerWaalsContact CD1-CE 3.41Å
180G97.4Very high95.6Very high31 Ų3163.2 Ų63.232%0.3236%0.364SS..EExtended strand (participates in β ladder)trans-126.2139.6167.400000110.1A141 T142A141-G180 CarbonylContact C-O 3.37Å; A141-G180 WeakPolarHBondContact CA-O 3.43Å; A141-G180 WeakPolarHBondContact CB-O 3.39Å; T142-G180 PolarHBondContact N-O 3.3Å; T142-G180 PolarHBondContact O-N 2.96Å
181M97Very high95.6Very high61 Ų6158.7 Ų58.730%0.334%0.343SS..  trans-137.8162.5178.471.3177.976.100111.1D137 Q138 A141 L179 Y218D137-M181 HydrophobicContact CB-SD 4.27Å; Q138-M181 HydrophobicContact CG-CE 3.72Å; Q138-M181 HydrophobicContact CG-SD 4.46Å; A141-M181 HydrophobicContact CB-CB 4.02Å; L179-M181 HydrophobicContact CD1-CE 3.41Å; L179-M181 VanDerWaalsContact CD1-CE 3.41Å; M181-Y218 HydrophobicContact CG-CE2 4.25Å
182Y97.2Very high95.5Very high111 Ų11157.4 Ų57.444%0.43534%0.337SS..  trans-144.8163.4-179.173.8-82.6000111.9G136 D137 K140 T184 Y218G136-Y182 WeakPolarHBondContact CA-O 3.48Å; D137-Y182 PolarHBondContact N-O 3.19Å; K140-Y182 HydrophobicContact CB-CE1 3.95Å; K140-Y182 WeakPolarHBondContact CD-OH 3.45Å; Y182-T184 HydrophobicContact CD2-CG2 4.44Å; Y182-T184 HydrophobicContact CE2-CG2 4.44Å; Y182-Y218 PolarHBondContact O-OH 2.84Å
183N97.2Very high95.5Very high30 Ų3051.4 Ų51.416%0.1631%0.309CS..  trans-141.7172.6161.1-136-51.1000109.7H133 H135 D137 I188 Y218 F222H133-N183 PolarHBondContact CE1-ND2 2.8Å; H133-N183 PolarHBondContact CE1-OD1 3.2Å; H133-N183 VanDerWaalsContact CE1-OD1 3.27Å; H133-N183 PolarHBondContact ND1-ND2 2.85Å; H135-N183 PolarHBondContact ND1-OD1 2.87Å; H135-N183 PolarHBondContact O-ND2 2.89Å; H135-N183 VanDerWaalsContact O-ND2 3.12Å; D137-N183 PolarHBondContact OD1-ND2 2.94Å; N183-I188 HydrophobicContact CB-CD1 4.4Å; N183-Y218 PolarHBondContact N-OH 2.85Å; N183-F222 HydrophobicContact CB-CE2 4.43Å; N183-F222 HydrophobicContact CB-CZ 4.42Å
184T96.5Very high95.7Very high51 Ų5149.2 Ų49.231%0.31329%0.286SS..  trans-122.2143.5179.368.60000110.8Y182 S186 S187 I188Y182-T184 HydrophobicContact CD2-CG2 4.44Å; Y182-T184 HydrophobicContact CE2-CG2 4.44Å; T184-S186 PolarHBondContact O-N 3.05Å; T184-S186 PolarHBondContact OG1-OG 2.79Å; T184-S187 PolarHBondContact O-N 3.41Å; T184-S187 VanDerWaalsContact O-N 3.14Å; T184-S187 VanDerWaalsContact OG1-CB 3.31Å; T184-S187 WeakPolarHBondContact OG1-CB 3.44Å; T184-S187 PolarHBondContact OG1-N 2.89Å; T184-I188 WeakPolarHBondContact O-CG1 3.19Å; T184-I188 PolarHBondContact O-N 3.24Å
185D97.6Very high95.9Very high67 Ų6742.2 Ų42.236%0.35824%0.243SC..Hα-helixtrans-56.1-40.1175.9-76.9-1.8000111.6S187 I188 R189 R221 I225D185-S187 PolarHBondContact O-N 2.77Å; D185-I188 PolarHBondContact O-N 2.95Å; D185-R189 WeakPolarHBondContact O-CB 3.33Å; D185-R189 VanDerWaalsContact O-CG 3.25Å; D185-R189 WeakPolarHBondContact O-CG 3.46Å; D185-R189 PolarHBondContact O-N 3.21Å; D185-R221 WeakPolarHBondContact OD1-CG 3.46Å; D185-R221 IonicContact OD1-CZ 3.42Å; D185-R221 IonicContact OD1-NE 3.38Å; D185-R221 PolarHBondContact OD1-NE 2.86Å; D185-R221 IonicContact OD1-NH2 2.84Å; D185-R221 IonicContact OD2-CZ 2.78Å; D185-R221 IonicContact OD2-NE 2.92Å; D185-R221 PolarHBondContact OD2-NE 2.88Å; D185-R221 IonicContact OD2-NH2 3.83Å; D185-R221 PolarHBondContact OD2-NH2 2.76Å; D185-I225 HydrophobicContact CB-CD1 4.12Å
186S94.6Very high96.1Very high74 Ų7441.2 Ų41.252%0.51723%0.233SC..Hα-helixtrans-55.5-49.6176.152.70000111.9T184 I188 R189 D190T184-S186 PolarHBondContact O-N 3.05Å; T184-S186 PolarHBondContact OG1-OG 2.79Å; S186-I188 VanDerWaalsContact C-N 3.34Å; S186-I188 PolarHBondContact O-N 2.94Å; S186-R189 PolarHBondContact O-N 3.4Å; S186-D190 PolarHBondContact O-N 3.01Å
187S92.9Very high95.9Very high18 Ų1843 Ų4313%0.12623%0.234CC..Hα-helixtrans-66.4-36.2-179.4-174.30000112.5H133 H135 T184 D185 F191H133-S187 PolarHBondContact NE2-O 3.32Å; H133-S187 VanDerWaalsContact NE2-O 3.12Å; H133-S187 PolarHBondContact NE2-OG 3.04Å; H135-S187 WeakPolarHBondContact CB-OG 3.48Å; H135-S187 PolarHBondContact ND1-OG 3.2Å; T184-S187 PolarHBondContact O-N 3.41Å; T184-S187 VanDerWaalsContact O-N 3.14Å; T184-S187 VanDerWaalsContact OG1-CB 3.31Å; T184-S187 WeakPolarHBondContact OG1-CB 3.44Å; T184-S187 PolarHBondContact OG1-N 2.89Å; D185-S187 PolarHBondContact O-N 2.77Å; S187-F191 WeakPolarHBondContact O-CB 3.34Å; S187-F191 PolarHBondContact O-N 3.24Å
188I97.3Very high95.7Very high4 Ų438.7 Ų38.72%0.02121%0.207CC..Hα-helixtrans-68.8-38.6176.9-61.8169.4000110.7N183 T184 D185 S186 F191 A192 R221 F222 I225 F226N183-I188 HydrophobicContact CB-CD1 4.4Å; T184-I188 WeakPolarHBondContact O-CG1 3.19Å; T184-I188 PolarHBondContact O-N 3.24Å; D185-I188 PolarHBondContact O-N 2.95Å; S186-I188 VanDerWaalsContact C-N 3.34Å; S186-I188 PolarHBondContact O-N 2.94Å; I188-F191 WeakPolarHBondContact O-CB 3.5Å; I188-F191 PolarHBondContact O-N 2.76Å; I188-A192 PolarHBondContact O-N 2.76Å; I188-R221 HydrophobicContact CD1-CG 4.44Å; I188-F222 HydrophobicContact CD1-CD1 4.35Å; I188-F222 HydrophobicContact CD1-CD2 3.76Å; I188-F222 HydrophobicContact CD1-CE1 4.2Å; I188-F222 HydrophobicContact CD1-CE2 3.57Å; I188-F222 HydrophobicContact CD1-CG 4.15Å; I188-F222 HydrophobicContact CD1-CZ 3.83Å; I188-F222 HydrophobicContact CG1-CD1 4.1Å; I188-F222 HydrophobicContact CG1-CD2 4.35Å; I188-F222 HydrophobicContact CG1-CE1 3.73Å; I188-F222 HydrophobicContact CG1-CE2 4Å; I188-F222 HydrophobicContact CG1-CG 4.4Å; I188-F222 HydrophobicContact CG1-CZ 3.69Å; I188-F222 HydrophobicContact CG2-CD1 3.83Å; I188-F222 HydrophobicContact CG2-CE1 4.24Å; I188-F222 HydrophobicContact CG2-CG 4.14Å; I188-I225 HydrophobicContact CB-CD1 3.95Å; I188-I225 HydrophobicContact CD1-CD1 4.3Å; I188-I225 HydrophobicContact CG2-CB 3.93Å; I188-I225 HydrophobicContact CG2-CD1 3.79Å; I188-I225 HydrophobicContact CG2-CG1 4.46Å; I188-I225 HydrophobicContact CG2-CG2 3.81Å; I188-F226 HydrophobicContact CG2-CD2 4.47Å; I188-F226 HydrophobicContact CG2-CE2 4.4Å
189R96.1Very high95.6Very high68 Ų6838 Ų3826%0.25720%0.201SC..Hα-helixtrans-64.2-47.1175.9-71.3-175.8-176-67.62.7111.2D185 S186 F191 A192 H193 I225 E228 I229D185-R189 WeakPolarHBondContact O-CB 3.33Å; D185-R189 VanDerWaalsContact O-CG 3.25Å; D185-R189 WeakPolarHBondContact O-CG 3.46Å; D185-R189 PolarHBondContact O-N 3.21Å; S186-R189 PolarHBondContact O-N 3.4Å; R189-F191 VanDerWaalsContact C-N 3.27Å; R189-F191 PolarHBondContact O-N 3.45Å; R189-A192 WeakPolarHBondContact O-CB 3.34Å; R189-A192 PolarHBondContact O-N 3.3Å; R189-A192 VanDerWaalsContact O-N 3.13Å; R189-H193 PolarHBondContact O-CD2 2.9Å; R189-H193 PolarHBondContact O-N 3.4Å; R189-I225 HydrophobicContact CB-CG2 4.41Å; R189-I225 HydrophobicContact CG-CG2 3.58Å; R189-E228 IonicContact CZ-OE2 3.3Å; R189-E228 IonicContact NH1-OE1 3.66Å; R189-E228 IonicContact NH1-OE2 3.91Å; R189-E228 PolarHBondContact NH1-OE2 2.88Å; R189-E228 IonicContact NH2-OE1 2.77Å; R189-E228 IonicContact NH2-OE2 2.73Å; R189-E228 PolarHBondContact NH2-OE2 3.38Å; R189-I229 HydrophobicContact CB-CD1 4.07Å; R189-I229 HydrophobicContact CG-CD1 4Å
190D92.8Very high95.5Very high60 Ų6034.2 Ų34.232%0.32118%0.182SC..Hα-helixtrans-57.3-43.4175.8-69.1-15.7000111.3S186 A192 H193 S194 P297S186-D190 PolarHBondContact O-N 3.01Å; D190-A192 PolarHBondContact O-N 3.27Å; D190-H193 PolarHBondContact O-N 3.43Å; D190-S194 WeakPolarHBondContact O-CB 3.25Å; D190-S194 PolarHBondContact O-N 3.22Å; D190-S194 PolarHBondContact O-OG 2.74Å; D190-P297 HydrophobicContact CB-CB 3.88Å; D190-P297 HydrophobicContact CB-CG 4.04Å
191F95.5Very high95.2Very high1 Ų136.9 Ų36.90%0.00420%0.195CC..Hα-helixtrans-61.6-41.9175.5174-138.3000113.5T106 G131 H133 S187 I188 R189 S195 L208 F222 F226 A267 C268T106-F191 HydrophobicContact CG2-CD2 3.49Å; T106-F191 VanDerWaalsContact CG2-CD2 3.49Å; T106-F191 HydrophobicContact CG2-CE2 3.58Å; T106-F191 WeakPolarHBondContact OG1-CA 3.45Å; T106-F191 WeakPolarHBondContact OG1-CD2 3.4Å; G131-F191 WeakPolarHBondContact O-CE2 3.33Å; H133-F191 HydrophobicContact CB-CD1 3.82Å; H133-F191 HydrophobicContact CB-CD2 4.25Å; H133-F191 HydrophobicContact CB-CE1 3.85Å; H133-F191 HydrophobicContact CB-CE2 4.28Å; H133-F191 HydrophobicContact CB-CG 4.02Å; H133-F191 HydrophobicContact CB-CZ 4.07Å; H133-F191 VanDerWaalsContact CD2-CB 3.43Å; H133-F191 WeakPolarHBondContact CD2-CB 3.41Å; H133-F191 AromaticContact CD2-CD1 3.83Å; H133-F191 AromaticContact CD2-CG 3.62Å; H133-F191 AromaticContact CG-CD1 3.77Å; H133-F191 AromaticContact CG-CG 3.95Å; S187-F191 WeakPolarHBondContact O-CB 3.34Å; S187-F191 PolarHBondContact O-N 3.24Å; I188-F191 WeakPolarHBondContact O-CB 3.5Å; I188-F191 PolarHBondContact O-N 2.76Å; R189-F191 VanDerWaalsContact C-N 3.27Å; R189-F191 PolarHBondContact O-N 3.45Å; F191-S195 WeakPolarHBondContact CE2-OG 3.21Å; F191-S195 VanDerWaalsContact O-CB 3.27Å; F191-S195 WeakPolarHBondContact O-CB 3.05Å; F191-S195 PolarHBondContact O-N 2.85Å; F191-S195 PolarHBondContact O-OG 2.88Å; F191-L208 HydrophobicContact CE1-CD1 4.34Å; F191-F222 HydrophobicContact CD1-CD1 4.47Å; F191-F222 HydrophobicContact CD1-CE1 4.32Å; F191-F226 AromaticContact CD1-CE2 3.59Å; F191-F226 HydrophobicContact CD1-CE2 3.59Å; F191-F226 AromaticContact CD1-CZ 3.52Å; F191-F226 HydrophobicContact CD1-CZ 3.52Å; F191-F226 HydrophobicContact CD2-CZ 4.47Å; F191-F226 AromaticContact CE1-CE2 3.89Å; F191-F226 HydrophobicContact CE1-CE2 3.89Å; F191-F226 AromaticContact CE1-CZ 3.56Å; F191-F226 HydrophobicContact CE1-CZ 3.56Å; F191-F226 HydrophobicContact CG-CE2 4.3Å; F191-F226 HydrophobicContact CG-CZ 4.02Å; F191-F226 HydrophobicContact CZ-CZ 4.1Å; F191-A267 HydrophobicContact CE1-CB 4.38Å; F191-A267 HydrophobicContact CE2-CB 4.12Å; F191-A267 HydrophobicContact CZ-CB 3.63Å; F191-C268 VanDerWaalsContact CZ-O 3.27Å; F191-C268 WeakPolarHBondContact CZ-O 3.44Å
192A96.6Very high95Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-62.9-50.7176.400000111.2I188 R189 D190 S194 S195 F196 F226 I229I188-A192 PolarHBondContact O-N 2.76Å; R189-A192 WeakPolarHBondContact O-CB 3.34Å; R189-A192 PolarHBondContact O-N 3.3Å; R189-A192 VanDerWaalsContact O-N 3.13Å; D190-A192 PolarHBondContact O-N 3.27Å; A192-S194 PolarHBondContact O-N 3.29Å; A192-S195 PolarHBondContact O-N 2.75Å; A192-S195 VanDerWaalsContact O-N 3.16Å; A192-F196 HydrophobicContact CB-CD2 4.38Å; A192-F196 HydrophobicContact CB-CE2 4.05Å; A192-F196 WeakPolarHBondContact O-CD2 3.37Å; A192-F196 PolarHBondContact O-N 2.85Å; A192-F226 VanDerWaalsContact CA-CZ 3.43Å; A192-F226 HydrophobicContact CB-CD1 4.07Å; A192-F226 HydrophobicContact CB-CD2 3.6Å; A192-F226 HydrophobicContact CB-CE1 4.05Å; A192-F226 HydrophobicContact CB-CE2 3.57Å; A192-F226 HydrophobicContact CB-CG 3.86Å; A192-F226 HydrophobicContact CB-CZ 3.81Å; A192-I229 HydrophobicContact CB-CD1 3.68Å
193H94.4Very high95Very high39 Ų3933.9 Ų33.918%0.18119%0.191CC..Hα-helixtrans-57.3-50178-75.5-67.6000112.1R189 D190 S195 F196 Q197 E233 Y234R189-H193 PolarHBondContact O-CD2 2.9Å; R189-H193 PolarHBondContact O-N 3.4Å; D190-H193 PolarHBondContact O-N 3.43Å; H193-S195 VanDerWaalsContact C-N 3.25Å; H193-S195 PolarHBondContact O-N 3.47Å; H193-F196 PolarHBondContact O-N 2.81Å; H193-Q197 WeakPolarHBondContact O-CB 3.3Å; H193-Q197 WeakPolarHBondContact O-CG 3.48Å; H193-Q197 PolarHBondContact O-N 2.84Å; H193-E233 IonicContact CE1-OE2 3.79Å; H193-E233 PolarHBondContact CE1-OE2 2.75Å; H193-E233 VanDerWaalsContact CE1-OE2 3.26Å; H193-E233 IonicContact ND1-OE2 3.82Å; H193-Y234 AromaticContact CE1-CE2 3.99Å; H193-Y234 AromaticContact ND1-CE2 3.44Å; H193-Y234 WeakPolarHBondContact ND1-CE2 3.42Å; H193-Y234 AromaticContact ND1-CZ 3.62Å; H193-Y234 PolarHBondContact ND1-OH 3.29Å
194S93.4Very high95.1Very high1 Ų135 Ų351%0.00719%0.193CC..Hα-helixtrans-58.3-39.8177.9-69.20000111.8F108 D190 A192 M198 I295F108-S194 WeakPolarHBondContact CZ-O 3.49Å; D190-S194 WeakPolarHBondContact O-CB 3.25Å; D190-S194 PolarHBondContact O-N 3.22Å; D190-S194 PolarHBondContact O-OG 2.74Å; A192-S194 PolarHBondContact O-N 3.29Å; S194-M198 WeakPolarHBondContact O-CB 3.47Å; S194-M198 PolarHBondContact O-N 2.75Å; S194-I295 PolarHBondContact OG-O 3.39Å
195S96Very high95.2Very high0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-69.6-43.1-179.9-630000112.7F191 A192 H193 M198 A199F191-S195 WeakPolarHBondContact CE2-OG 3.21Å; F191-S195 VanDerWaalsContact O-CB 3.27Å; F191-S195 WeakPolarHBondContact O-CB 3.05Å; F191-S195 PolarHBondContact O-N 2.85Å; F191-S195 PolarHBondContact O-OG 2.88Å; A192-S195 PolarHBondContact O-N 2.75Å; A192-S195 VanDerWaalsContact O-N 3.16Å; H193-S195 VanDerWaalsContact C-N 3.25Å; H193-S195 PolarHBondContact O-N 3.47Å; S195-M198 PolarHBondContact O-N 3.36Å; S195-A199 WeakPolarHBondContact O-CB 3.19Å; S195-A199 PolarHBondContact O-N 2.84Å; S195-A199 VanDerWaalsContact O-N 3.09Å
196F96.4Very high95.2Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-66.2-41.8174.8-69.1-59.6000112.2A192 H193 A199 L200 L206 F226 I229 Y230 Y234 F238 Y245A192-F196 HydrophobicContact CB-CD2 4.38Å; A192-F196 HydrophobicContact CB-CE2 4.05Å; A192-F196 WeakPolarHBondContact O-CD2 3.37Å; A192-F196 PolarHBondContact O-N 2.85Å; H193-F196 PolarHBondContact O-N 2.81Å; F196-A199 PolarHBondContact O-N 2.71Å; F196-L200 WeakPolarHBondContact O-CG 3.49Å; F196-L200 PolarHBondContact O-N 2.78Å; F196-L206 HydrophobicContact CD1-CD2 3.39Å; F196-L206 HydrophobicContact CE1-CD2 3.51Å; F196-L206 HydrophobicContact CG-CD2 4.1Å; F196-L206 HydrophobicContact CZ-CD2 4.3Å; F196-F226 HydrophobicContact CE2-CD1 4.15Å; F196-F226 HydrophobicContact CZ-CB 4.43Å; F196-F226 AromaticContact CZ-CD1 3.95Å; F196-F226 HydrophobicContact CZ-CD1 3.95Å; F196-F226 WeakPolarHBondContact CZ-O 3.46Å; F196-I229 HydrophobicContact CD2-CG2 3.74Å; F196-I229 HydrophobicContact CE2-CB 4.11Å; F196-I229 HydrophobicContact CE2-CG2 3.67Å; F196-Y230 HydrophobicContact CD1-CD2 4.2Å; F196-Y230 AromaticContact CE1-CD2 3.66Å; F196-Y230 HydrophobicContact CE1-CD2 3.66Å; F196-Y230 HydrophobicContact CE1-CG 4.17Å; F196-Y230 HydrophobicContact CZ-CD2 4.26Å; F196-Y230 HydrophobicContact CZ-CG 4.36Å; F196-Y234 HydrophobicContact CB-CD1 3.59Å; F196-Y234 HydrophobicContact CB-CD2 3.89Å; F196-Y234 HydrophobicContact CB-CE1 3.73Å; F196-Y234 HydrophobicContact CB-CE2 4.02Å; F196-Y234 HydrophobicContact CB-CG 3.66Å; F196-Y234 HydrophobicContact CD1-CG 4.43Å; F196-Y234 AromaticContact CD2-CD2 3.67Å; F196-Y234 HydrophobicContact CD2-CD2 3.67Å; F196-Y234 AromaticContact CD2-CE2 3.92Å; F196-Y234 HydrophobicContact CD2-CE2 3.92Å; F196-Y234 HydrophobicContact CD2-CG 4.18Å; F196-Y234 HydrophobicContact CE2-CD2 4.43Å; F196-Y234 HydrophobicContact CG-CD1 4.31Å; F196-Y234 AromaticContact CG-CD2 3.84Å; F196-Y234 HydrophobicContact CG-CD2 3.84Å; F196-Y234 HydrophobicContact CG-CE2 4.26Å; F196-Y234 AromaticContact CG-CG 3.86Å; F196-Y234 HydrophobicContact CG-CG 3.86Å; F196-F238 HydrophobicContact CB-CE2 4.14Å; F196-F238 HydrophobicContact CB-CZ 4.3Å; F196-F238 HydrophobicContact CD1-CE1 4.39Å; F196-F238 AromaticContact CD1-CE2 3.91Å; F196-F238 HydrophobicContact CD1-CE2 3.91Å; F196-F238 AromaticContact CD1-CZ 3.62Å; F196-F238 HydrophobicContact CD1-CZ 3.62Å; F196-F238 HydrophobicContact CG-CE2 4.47Å; F196-F238 HydrophobicContact CG-CZ 4.45Å; F196-Y245 HydrophobicContact CE1-CD1 4.17Å; F196-Y245 AromaticContact CE1-CD2 3.8Å; F196-Y245 HydrophobicContact CE1-CD2 3.8Å; F196-Y245 HydrophobicContact CE1-CE2 4.45Å; F196-Y245 AromaticContact CE1-CG 3.65Å; F196-Y245 HydrophobicContact CE1-CG 3.65Å; F196-Y245 HydrophobicContact CZ-CD1 4.29Å; F196-Y245 HydrophobicContact CZ-CD2 4.2Å; F196-Y245 HydrophobicContact CZ-CE1 4.5Å; F196-Y245 HydrophobicContact CZ-CE2 4.43Å; F196-Y245 HydrophobicContact CZ-CG 4.14Å
197Q93.1Very high95.4Very high63 Ų6327.3 Ų27.329%0.29414%0.144SC..Hα-helixtrans-62.8-42.5176.2-70.9173.58.400111.7H193 L200 S201 Y234H193-Q197 WeakPolarHBondContact O-CB 3.3Å; H193-Q197 WeakPolarHBondContact O-CG 3.48Å; H193-Q197 PolarHBondContact O-N 2.84Å; Q197-L200 PolarHBondContact O-N 2.96Å; Q197-S201 WeakPolarHBondContact O-CB 3.34Å; Q197-S201 PolarHBondContact O-N 2.95Å; Q197-Y234 HydrophobicContact CG-CE1 4.29Å
198M92.9Very high95.7Very high20 Ų2026.4 Ų26.410%0.09914%0.138CC..Hα-helixtrans-58.4-50.1174.4175.655.672.100111.3F108 S194 S195 L200 S201 K202 I265 I295F108-M198 HydrophobicContact CB-CE 3.97Å; F108-M198 HydrophobicContact CD1-CB 4.22Å; F108-M198 HydrophobicContact CD1-CE 4.12Å; F108-M198 HydrophobicContact CD1-CG 3.78Å; F108-M198 HydrophobicContact CD2-CE 3.79Å; F108-M198 HydrophobicContact CE1-CB 3.7Å; F108-M198 HydrophobicContact CE1-CG 3.75Å; F108-M198 HydrophobicContact CE2-CB 4.29Å; F108-M198 HydrophobicContact CE2-CE 4.31Å; F108-M198 HydrophobicContact CG-CE 3.67Å; F108-M198 HydrophobicContact CG-CG 4.3Å; F108-M198 HydrophobicContact CZ-CB 3.75Å; F108-M198 HydrophobicContact CZ-CG 4.24Å; S194-M198 WeakPolarHBondContact O-CB 3.47Å; S194-M198 PolarHBondContact O-N 2.75Å; S195-M198 PolarHBondContact O-N 3.36Å; M198-L200 PolarHBondContact O-N 3.43Å; M198-S201 PolarHBondContact O-N 2.83Å; M198-S201 VanDerWaalsContact O-N 3.13Å; M198-S201 PolarHBondContact O-OG 3.35Å; M198-K202 PolarHBondContact O-N 2.8Å; M198-K202 HydrophobicContact SD-CG 3.82Å; M198-I265 HydrophobicContact CG-CD1 3.86Å; M198-I265 HydrophobicContact CG-CG1 4.21Å; M198-I265 HydrophobicContact CG-CG2 4.28Å; M198-I295 HydrophobicContact CE-CD1 3.27Å
199A96Very high95.8Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-58.8-42.9178.500000112.8S195 F196 S201 K202 A203 W204 L206 F238 I265S195-A199 WeakPolarHBondContact O-CB 3.19Å; S195-A199 PolarHBondContact O-N 2.84Å; S195-A199 VanDerWaalsContact O-N 3.09Å; F196-A199 PolarHBondContact O-N 2.71Å; A199-S201 PolarHBondContact O-N 3.01Å; A199-K202 PolarHBondContact O-N 3.25Å; A199-A203 VanDerWaalsContact O-CA 3.31Å; A199-A203 WeakPolarHBondContact O-CA 3.46Å; A199-A203 PolarHBondContact O-N 3.13Å; A199-W204 WeakPolarHBondContact CB-O 3.22Å; A199-W204 PolarHBondContact O-N 3.44Å; A199-L206 HydrophobicContact CB-CB 3.96Å; A199-F238 HydrophobicContact CB-CE1 4.04Å; A199-F238 HydrophobicContact CB-CZ 3.61Å; A199-I265 HydrophobicContact CB-CG1 3.92Å
200L95Very high95.9Very high19 Ų1923 Ų2310%0.09913%0.125CC..Hα-helixtrans-63.4-39.9174.1-75.6173.3000113F196 Q197 M198 A203 Y234 Q237 F238 K241 I243F196-L200 WeakPolarHBondContact O-CG 3.49Å; F196-L200 PolarHBondContact O-N 2.78Å; Q197-L200 PolarHBondContact O-N 2.96Å; M198-L200 PolarHBondContact O-N 3.43Å; L200-A203 PolarHBondContact O-N 3.37Å; L200-Y234 HydrophobicContact CD1-CD1 3.75Å; L200-Y234 HydrophobicContact CD1-CE1 4.12Å; L200-Q237 HydrophobicContact CD1-CB 4.09Å; L200-Q237 HydrophobicContact CD2-CB 3.77Å; L200-F238 HydrophobicContact CD1-CD2 4.47Å; L200-F238 HydrophobicContact CD1-CE2 4.19Å; L200-F238 HydrophobicContact CD2-CD2 3.61Å; L200-F238 HydrophobicContact CD2-CE2 3.83Å; L200-F238 HydrophobicContact CD2-CG 4.45Å; L200-F238 HydrophobicContact CG-CD2 3.92Å; L200-F238 HydrophobicContact CG-CE2 3.59Å; L200-F238 HydrophobicContact CG-CZ 4.48Å; L200-K241 HydrophobicContact CD2-CD 3.83Å; L200-K241 WeakPolarHBondContact O-CE 3.46Å; L200-K241 PolarHBondContact O-NZ 3.13Å; L200-I243 HydrophobicContact CD2-CD1 4.36Å
201S91.3Very high96.2Very high87 Ų8723.1 Ų23.161%0.60812%0.123SC*.Hα-helixtrans-65.9-39.8-18080.10000111.9Q197 M198 A199Q197-S201 WeakPolarHBondContact O-CB 3.34Å; Q197-S201 PolarHBondContact O-N 2.95Å; M198-S201 PolarHBondContact O-N 2.83Å; M198-S201 VanDerWaalsContact O-N 3.13Å; M198-S201 PolarHBondContact O-OG 3.35Å; A199-S201 PolarHBondContact O-N 3.01Å
202K93.3Very high96.3Very high66 Ų6624.6 Ų24.629%0.28713%0.13SC..Hα-helixtrans-82.8-14.2176.4-66.8-74.8-175.8162.20113.1E110 I129 M198 A199 W204 I265E110-K202 IonicContact OE1-NZ 3.68Å; E110-K202 PolarHBondContact OE1-NZ 3.16Å; E110-K202 IonicContact OE2-NZ 3.85Å; E110-K202 PolarHBondContact OE2-NZ 2.83Å; I129-K202 HydrophobicContact CD1-CD 4.05Å; I129-K202 HydrophobicContact CD1-CG 4.07Å; M198-K202 PolarHBondContact O-N 2.8Å; M198-K202 HydrophobicContact SD-CG 3.82Å; A199-K202 PolarHBondContact O-N 3.25Å; K202-W204 VanDerWaalsContact C-N 3.27Å; K202-W204 HydrophobicContact CB-CB 4.22Å; K202-W204 HydrophobicContact CB-CD2 4.03Å; K202-W204 HydrophobicContact CB-CE3 4.4Å; K202-W204 HydrophobicContact CB-CG 3.97Å; K202-W204 PolarHBondContact O-N 2.87Å; K202-W204 PolarHBondContact O-NE1 3.09Å; K202-I265 HydrophobicContact CB-CD1 4.44Å; K202-I265 HydrophobicContact CG-CD1 4.29Å
203A96.9Very high96.2Very high44 Ų4427.6 Ų27.636%0.36415%0.149SC..THydrogen-bonded Turntrans52.644.8-168.700000112.1A199 L200 K241 I243A199-A203 VanDerWaalsContact O-CA 3.31Å; A199-A203 WeakPolarHBondContact O-CA 3.46Å; A199-A203 PolarHBondContact O-N 3.13Å; L200-A203 PolarHBondContact O-N 3.37Å; A203-K241 HydrophobicContact CB-CD 4.41Å; A203-I243 VanDerWaalsContact O-CG2 3.31Å; A203-I243 WeakPolarHBondContact O-CG2 3.42Å
204W98Very high96.4Very high54 Ų5431.6 Ų31.621%0.20517%0.17CC..  trans-119.8152.5-179.5-71.4-0.9000111.6P127 I129 A199 K202 I243 I265P127-W204 HydrophobicContact CB-CH2 3.89Å; P127-W204 HydrophobicContact CB-CZ3 4.24Å; P127-W204 HydrophobicContact CG-CH2 3.75Å; I129-W204 HydrophobicContact CD1-CE3 4.22Å; I129-W204 HydrophobicContact CD1-CH2 4.47Å; I129-W204 HydrophobicContact CD1-CZ3 3.73Å; I129-W204 HydrophobicContact CG1-CZ3 3.93Å; A199-W204 WeakPolarHBondContact CB-O 3.22Å; A199-W204 PolarHBondContact O-N 3.44Å; K202-W204 VanDerWaalsContact C-N 3.27Å; K202-W204 HydrophobicContact CB-CB 4.22Å; K202-W204 HydrophobicContact CB-CD2 4.03Å; K202-W204 HydrophobicContact CB-CE3 4.4Å; K202-W204 HydrophobicContact CB-CG 3.97Å; K202-W204 PolarHBondContact O-N 2.87Å; K202-W204 PolarHBondContact O-NE1 3.09Å; W204-I243 WeakPolarHBondContact O-CD1 3.29Å; W204-I265 HydrophobicContact CB-CG1 4.48Å; W204-I265 HydrophobicContact CE3-CD1 3.97Å
205P98.4Very high96.6Very high16 Ų1635.4 Ų35.410%0.10419%0.19CC..  trans-64.7153.6174.128.6-35.1000111.9Y207 W244 F264 I265P205-Y207 HydrophobicContact CB-CE2 4.27Å; P205-Y207 HydrophobicContact CG-CE2 4.34Å; P205-W244 WeakPolarHBondContact CA-O 3.4Å; P205-W244 HydrophobicContact CB-CD2 3.81Å; P205-W244 HydrophobicContact CB-CE3 4.21Å; P205-W244 HydrophobicContact CB-CG 4.29Å; P205-W244 HydrophobicContact CB-CH2 4.18Å; P205-W244 HydrophobicContact CB-CZ2 3.78Å; P205-W244 HydrophobicContact CB-CZ3 4.38Å; P205-W244 HydrophobicContact CG-CH2 4.12Å; P205-W244 HydrophobicContact CG-CZ2 3.94Å; P205-F264 HydrophobicContact CG-CB 3.96Å; P205-I265 PolarHBondContact O-N 3.45Å
206L98.8Very high96.7Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-116.5132.2-179.4177.565.5000111.2F196 A199 F238 W244 Y245 E246 I265 A267F196-L206 HydrophobicContact CD1-CD2 3.39Å; F196-L206 HydrophobicContact CE1-CD2 3.51Å; F196-L206 HydrophobicContact CG-CD2 4.1Å; F196-L206 HydrophobicContact CZ-CD2 4.3Å; A199-L206 HydrophobicContact CB-CB 3.96Å; L206-F238 HydrophobicContact CB-CE1 4.15Å; L206-F238 HydrophobicContact CB-CZ 4.49Å; L206-W244 PolarHBondContact N-O 3.41Å; L206-Y245 HydrophobicContact CB-CD2 4.34Å; L206-Y245 HydrophobicContact CD2-CD2 3.97Å; L206-Y245 HydrophobicContact CG-CD2 4.02Å; L206-Y245 CarbonylContact O-C 3.59Å; L206-Y245 VanDerWaalsContact O-CA 3.31Å; L206-Y245 WeakPolarHBondContact O-CA 3.34Å; L206-E246 PolarHBondContact O-N 3.38Å; L206-I265 CarbonylContact C-O 3.58Å; L206-I265 WeakPolarHBondContact CA-O 3.32Å; L206-I265 HydrophobicContact CD1-CB 3.65Å; L206-I265 HydrophobicContact CD1-CG2 3.6Å; L206-A267 HydrophobicContact CD1-CB 4.07Å
207Y98.8Very high96.8Very high13 Ų1351.3 Ų51.35%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-117.7129.8172.9-64.3-85.1000111P205 W244 E246 R248 M253 Q256 F264 I265 W266 A267P205-Y207 HydrophobicContact CB-CE2 4.27Å; P205-Y207 HydrophobicContact CG-CE2 4.34Å; Y207-W244 AromaticContact CZ-NE1 3.71Å; Y207-W244 PolarHBondContact OH-NE1 2.84Å; Y207-E246 VanDerWaalsContact CA-O 3.28Å; Y207-E246 WeakPolarHBondContact CA-O 3.32Å; Y207-E246 HydrophobicContact CD1-CB 3.85Å; Y207-E246 HydrophobicContact CE1-CB 3.85Å; Y207-E246 HydrophobicContact CE1-CG 4.44Å; Y207-E246 WeakPolarHBondContact CE1-OE2 3.33Å; Y207-R248 HydrophobicContact CD1-CG 4.41Å; Y207-M253 HydrophobicContact CD1-SD 4.07Å; Y207-M253 HydrophobicContact CD2-CE 4.01Å; Y207-M253 HydrophobicContact CG-CE 3.8Å; Y207-M253 HydrophobicContact CG-SD 3.87Å; Y207-Q256 VanDerWaalsContact CZ-NE2 3.29Å; Y207-Q256 PolarHBondContact OH-NE2 2.9Å; Y207-F264 HydrophobicContact CD2-CB 3.92Å; Y207-F264 AromaticContact CD2-CD2 3.77Å; Y207-F264 HydrophobicContact CD2-CD2 3.77Å; Y207-F264 AromaticContact CD2-CG 3.98Å; Y207-F264 HydrophobicContact CD2-CG 3.98Å; Y207-F264 HydrophobicContact CE2-CB 3.84Å; Y207-F264 HydrophobicContact CE2-CD2 4.3Å; Y207-F264 HydrophobicContact CE2-CG 4.05Å; Y207-I265 PolarHBondContact N-O 2.77Å; Y207-W266 CarbonylContact O-C 3.57Å; Y207-W266 WeakPolarHBondContact O-CA 3.44Å; Y207-A267 PolarHBondContact O-N 2.95Å
208L98.8Very high97.1Very high0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-100.4127.9165.3171.468.7000109.1F191 T210 F222 F226 Y245 E246 H247 R248 A267F191-L208 HydrophobicContact CE1-CD1 4.34Å; L208-T210 HydrophobicContact CD1-CG2 4.34Å; L208-T210 HydrophobicContact CD2-CG2 4.19Å; L208-T210 HydrophobicContact CG-CG2 4.07Å; L208-F222 HydrophobicContact CD2-CB 4.48Å; L208-F226 HydrophobicContact CB-CD1 4.2Å; L208-F226 HydrophobicContact CB-CE1 4.4Å; L208-F226 HydrophobicContact CD1-CE1 4.26Å; L208-F226 HydrophobicContact CD1-CE2 4.25Å; L208-F226 HydrophobicContact CD1-CZ 4.1Å; L208-F226 HydrophobicContact CD2-CB 3.9Å; L208-F226 HydrophobicContact CD2-CD1 4.06Å; L208-F226 HydrophobicContact CD2-CD2 3.86Å; L208-F226 HydrophobicContact CD2-CE2 4.38Å; L208-F226 HydrophobicContact CD2-CG 3.68Å; L208-F226 HydrophobicContact CG-CD1 4.5Å; L208-Y245 HydrophobicContact CB-CE2 3.82Å; L208-E246 PolarHBondContact N-O 3.44Å; L208-H247 WeakPolarHBondContact O-CA 3.49Å; L208-R248 PolarHBondContact O-N 2.78Å; L208-A267 HydrophobicContact CD1-CB 4.19Å
209S98.7Very high97.3Very high0 Ų050.3 Ų50.30%025%0.252CS..EExtended strand (participates in β ladder)trans-107135.6173.161.60000112.9R248 I250 W266 A267S209-R248 WeakPolarHBondContact CA-O 3.49Å; S209-I250 WeakPolarHBondContact OG-CD1 3.44Å; S209-W266 VanDerWaalsContact CB-NE1 3.31Å; S209-W266 PolarHBondContact OG-NE1 3.27Å; S209-A267 PolarHBondContact N-O 2.7Å; S209-A267 VanDerWaalsContact N-O 3.16Å
210T98.8Very high97.5Very high0 Ų050.6 Ų50.60%026%0.256CS..EExtended strand (participates in β ladder)trans-145.9177.2173.772.20000111.4L208 N212 F222 H247 R248 L249 I250L208-T210 HydrophobicContact CD1-CG2 4.34Å; L208-T210 HydrophobicContact CD2-CG2 4.19Å; L208-T210 HydrophobicContact CG-CG2 4.07Å; T210-N212 PolarHBondContact OG1-N 3.27Å; T210-F222 HydrophobicContact CG2-CB 4.18Å; T210-H247 PolarHBondContact OG1-NE2 3.14Å; T210-R248 PolarHBondContact N-O 3.42Å; T210-R248 VanDerWaalsContact N-O 3.13Å; T210-L249 CarbonylContact O-C 3.56Å; T210-L249 WeakPolarHBondContact O-CA 3.31Å; T210-I250 PolarHBondContact O-N 2.92Å
211K98.4Very high97.6Very high63 Ų6353.8 Ų53.827%0.27427%0.266SS..  trans-114.446.3166-155.776.2-172.4-179.80112.1T213 I214 L215 D219 I250 D251K211-T213 PolarHBondContact O-N 3.38Å; K211-T213 VanDerWaalsContact O-N 3.09Å; K211-I214 HydrophobicContact CG-CB 4.04Å; K211-I214 HydrophobicContact CG-CG1 3.82Å; K211-I214 PolarHBondContact O-N 3.12Å; K211-L215 PolarHBondContact O-N 2.87Å; K211-D219 WeakPolarHBondContact CA-OD2 3.35Å; K211-D219 PolarHBondContact N-OD2 3.07Å; K211-I250 HydrophobicContact CB-CG2 4.25Å; K211-I250 HydrophobicContact CD-CG2 3.64Å; K211-D251 IonicContact NZ-OD1 2.88Å; K211-D251 PolarHBondContact NZ-OD1 3.36Å; K211-D251 IonicContact NZ-OD2 2.92Å; K211-D251 PolarHBondContact NZ-OD2 3.08Å
212N97.8Very high98Very high31 Ų3149.7 Ų49.717%0.16624%0.238CC..THydrogen-bonded Turntrans-63.5-13.6-176.878.5-51.5000115.2T210 I214 K216 D219 H247 L249T210-N212 PolarHBondContact OG1-N 3.27Å; N212-I214 VanDerWaalsContact C-N 3.27Å; N212-K216 VanDerWaalsContact O-CA 3.27Å; N212-K216 WeakPolarHBondContact O-CA 3.13Å; N212-D219 HydrophobicContact CB-CB 3.85Å; N212-H247 PolarHBondContact OD1-CE1 2.82Å; N212-H247 VanDerWaalsContact OD1-CE1 3.31Å; N212-L249 WeakPolarHBondContact OD1-CD2 3.05Å
213T96.1Very high98.3Very high63 Ų6350 Ų5039%0.38724%0.239SC..THydrogen-bonded Turntrans-66.5-31.6169.545.10000112.5K211 K216 L249K211-T213 PolarHBondContact O-N 3.38Å; K211-T213 VanDerWaalsContact O-N 3.09Å; T213-K216 PolarHBondContact O-NZ 3.1Å; T213-L249 HydrophobicContact CG2-CD1 3.85Å; T213-L249 HydrophobicContact CG2-CD2 3.85Å
214I98.1Very high98.3Very high123 Ų12352.2 Ų52.263%0.63125%0.245SC*.THydrogen-bonded Turntrans-96.1-58178.2-55.5-57.8000110K211 N212 K216K211-I214 HydrophobicContact CG-CB 4.04Å; K211-I214 HydrophobicContact CG-CG1 3.82Å; K211-I214 PolarHBondContact O-N 3.12Å; N212-I214 VanDerWaalsContact C-N 3.27Å; I214-K216 VanDerWaalsContact C-N 3.27Å; I214-K216 PolarHBondContact O-N 2.8Å
215L97.8Very high98.4Very high82 Ų8249.6 Ų49.643%0.42924%0.235SC..SBendtrans-88.362.5179.1-65-178.3000111K211 K217 Y218 D219 G220K211-L215 PolarHBondContact O-N 2.87Å; L215-K217 VanDerWaalsContact C-N 3.27Å; L215-K217 PolarHBondContact O-N 3.24Å; L215-K217 VanDerWaalsContact O-N 3.12Å; L215-Y218 PolarHBondContact O-N 2.78Å; L215-D219 HydrophobicContact CB-CB 3.95Å; L215-D219 WeakPolarHBondContact O-CB 3.28Å; L215-D219 PolarHBondContact O-N 3.28Å; L215-G220 PolarHBondContact O-N 3.49Å
216K97.8Very high98.4Very high156 Ų15648.9 Ų48.968%0.67823%0.23SC*.THydrogen-bonded Turntrans-52.2-39.7-170.6-63.3179.7-172.9-67.10114.5N212 T213 I214 G220N212-K216 VanDerWaalsContact O-CA 3.27Å; N212-K216 WeakPolarHBondContact O-CA 3.13Å; T213-K216 PolarHBondContact O-NZ 3.1Å; I214-K216 VanDerWaalsContact C-N 3.27Å; I214-K216 PolarHBondContact O-N 2.8Å; K216-G220 WeakPolarHBondContact O-CA 3.43Å; K216-G220 PolarHBondContact O-N 2.89Å
217K98.1Very high98.4Very high177 Ų17752 Ų5277%0.7725%0.245SC*.THydrogen-bonded Turntrans-85-50.7178.7-64.3-176178.6-178.10112L215 R221L215-K217 VanDerWaalsContact C-N 3.27Å; L215-K217 PolarHBondContact O-N 3.24Å; L215-K217 VanDerWaalsContact O-N 3.12Å; K217-R221 PolarHBondContact O-N 2.97Å; K217-R221 VanDerWaalsContact O-N 3.13Å
218Y98.6Very high98.4Very high60 Ų6055.6 Ų55.624%0.23526%0.262CS..Hα-helixtrans-67.4-55.1-173.7-164.4-77.5000112D137 M181 Y182 N183 L215 R221 F222D137-Y218 WeakPolarHBondContact OD1-CE1 3.08Å; D137-Y218 PolarHBondContact OD1-OH 3.31Å; M181-Y218 HydrophobicContact CG-CE2 4.25Å; Y182-Y218 PolarHBondContact O-OH 2.84Å; N183-Y218 PolarHBondContact N-OH 2.85Å; L215-Y218 PolarHBondContact O-N 2.78Å; Y218-R221 WeakPolarHBondContact O-CB 3.21Å; Y218-R221 PolarHBondContact O-N 2.71Å; Y218-F222 HydrophobicContact CD1-CE2 4.33Å; Y218-F222 HydrophobicContact CE1-CE2 4.01Å
219D98.7Very high98.4Very high2 Ų255.8 Ų55.81%0.01126%0.263CS..Hα-helixtrans-80.2-25.5-179.4-79.726.2000112K211 N212 L215 R221 F222 K223 K269K211-D219 WeakPolarHBondContact CA-OD2 3.35Å; K211-D219 PolarHBondContact N-OD2 3.07Å; N212-D219 HydrophobicContact CB-CB 3.85Å; L215-D219 HydrophobicContact CB-CB 3.95Å; L215-D219 WeakPolarHBondContact O-CB 3.28Å; L215-D219 PolarHBondContact O-N 3.28Å; D219-R221 PolarHBondContact O-N 2.86Å; D219-F222 PolarHBondContact O-N 3.49Å; D219-K223 PolarHBondContact O-N 2.89Å; D219-K269 WeakPolarHBondContact OD1-CE 3.16Å; D219-K269 IonicContact OD1-NZ 3.52Å; D219-K269 PolarHBondContact OD1-NZ 3.27Å; D219-K269 IonicContact OD2-NZ 2.81Å; D219-K269 PolarHBondContact OD2-NZ 2.75Å
220G98.6Very high98.4Very high7 Ų756.7 Ų56.77%0.07227%0.266CS..Hα-helixtrans-56.9-39.6167.900000111.6L215 K216 F222 K223 D224L215-G220 PolarHBondContact O-N 3.49Å; K216-G220 WeakPolarHBondContact O-CA 3.43Å; K216-G220 PolarHBondContact O-N 2.89Å; G220-F222 PolarHBondContact O-N 2.94Å; G220-K223 WeakPolarHBondContact O-CB 3.48Å; G220-K223 PolarHBondContact O-N 2.97Å; G220-D224 WeakPolarHBondContact O-CB 3.48Å; G220-D224 PolarHBondContact O-N 3.35Å
221R98.8Very high98.4Very high86 Ų8660.9 Ų60.933%0.32529%0.286SS..Hα-helixtrans-61.7-40.4178.6-165.969-172.4130.7-6.9113.2D185 I188 K217 Y218 D219 I225D185-R221 WeakPolarHBondContact OD1-CG 3.46Å; D185-R221 IonicContact OD1-CZ 3.42Å; D185-R221 IonicContact OD1-NE 3.38Å; D185-R221 PolarHBondContact OD1-NE 2.86Å; D185-R221 IonicContact OD1-NH2 2.84Å; D185-R221 IonicContact OD2-CZ 2.78Å; D185-R221 IonicContact OD2-NE 2.92Å; D185-R221 PolarHBondContact OD2-NE 2.88Å; D185-R221 IonicContact OD2-NH2 3.83Å; D185-R221 PolarHBondContact OD2-NH2 2.76Å; I188-R221 HydrophobicContact CD1-CG 4.44Å; K217-R221 PolarHBondContact O-N 2.97Å; K217-R221 VanDerWaalsContact O-N 3.13Å; Y218-R221 WeakPolarHBondContact O-CB 3.21Å; Y218-R221 PolarHBondContact O-N 2.71Å; D219-R221 PolarHBondContact O-N 2.86Å; R221-I225 HydrophobicContact CG-CD1 3.93Å; R221-I225 WeakPolarHBondContact O-CB 3.26Å; R221-I225 VanDerWaalsContact O-CG1 3.31Å; R221-I225 WeakPolarHBondContact O-CG1 3.18Å; R221-I225 PolarHBondContact O-N 3.3Å
222F98.8Very high98.4Very high1 Ų165.3 Ų65.30%0.00431%0.305CS..Hα-helixtrans-60.5-50.5173.5-81.1-101.7000111.5H133 N183 I188 F191 L208 T210 Y218 D219 G220 D224 I225 F226 K269H133-F222 AromaticContact CE1-CE1 3.72Å; H133-F222 AromaticContact CE1-CZ 3.75Å; H133-F222 AromaticContact ND1-CE1 3.4Å; H133-F222 WeakPolarHBondContact ND1-CE1 3.42Å; H133-F222 AromaticContact ND1-CZ 3.55Å; N183-F222 HydrophobicContact CB-CE2 4.43Å; N183-F222 HydrophobicContact CB-CZ 4.42Å; I188-F222 HydrophobicContact CD1-CD1 4.35Å; I188-F222 HydrophobicContact CD1-CD2 3.76Å; I188-F222 HydrophobicContact CD1-CE1 4.2Å; I188-F222 HydrophobicContact CD1-CE2 3.57Å; I188-F222 HydrophobicContact CD1-CG 4.15Å; I188-F222 HydrophobicContact CD1-CZ 3.83Å; I188-F222 HydrophobicContact CG1-CD1 4.1Å; I188-F222 HydrophobicContact CG1-CD2 4.35Å; I188-F222 HydrophobicContact CG1-CE1 3.73Å; I188-F222 HydrophobicContact CG1-CE2 4Å; I188-F222 HydrophobicContact CG1-CG 4.4Å; I188-F222 HydrophobicContact CG1-CZ 3.69Å; I188-F222 HydrophobicContact CG2-CD1 3.83Å; I188-F222 HydrophobicContact CG2-CE1 4.24Å; I188-F222 HydrophobicContact CG2-CG 4.14Å; F191-F222 HydrophobicContact CD1-CD1 4.47Å; F191-F222 HydrophobicContact CD1-CE1 4.32Å; L208-F222 HydrophobicContact CD2-CB 4.48Å; T210-F222 HydrophobicContact CG2-CB 4.18Å; Y218-F222 HydrophobicContact CD1-CE2 4.33Å; Y218-F222 HydrophobicContact CE1-CE2 4.01Å; D219-F222 PolarHBondContact O-N 3.49Å; G220-F222 PolarHBondContact O-N 2.94Å; F222-D224 VanDerWaalsContact C-N 3.35Å; F222-D224 PolarHBondContact O-N 2.72Å; F222-I225 PolarHBondContact O-N 2.89Å; F222-F226 WeakPolarHBondContact O-CD2 3.32Å; F222-F226 PolarHBondContact O-N 3.37Å; F222-K269 HydrophobicContact CD1-CG 4.27Å; F222-K269 HydrophobicContact CE1-CG 4.13Å; F222-K269 HydrophobicContact CZ-CG 4.37Å
223K98.8Very high98.4Very high71 Ų7167.7 Ų67.731%0.30932%0.315SS..Hα-helixtrans-56.5-49.9178.7179.9-170.4177.4-172.20111.3D219 G220 F226 Q227 H247D219-K223 PolarHBondContact O-N 2.89Å; G220-K223 WeakPolarHBondContact O-CB 3.48Å; G220-K223 PolarHBondContact O-N 2.97Å; K223-F226 PolarHBondContact O-N 2.72Å; K223-Q227 WeakPolarHBondContact O-CB 3.31Å; K223-Q227 PolarHBondContact O-N 3.06Å; K223-H247 HydrophobicContact CG-CB 4.26Å
224D98.8Very high98.5Very high91 Ų9165.4 Ų65.449%0.48730%0.3SS..Hα-helixtrans-65.9-43.1-174.8-65-15.5000111.3G220 F222 Q227 E228G220-D224 WeakPolarHBondContact O-CB 3.48Å; G220-D224 PolarHBondContact O-N 3.35Å; F222-D224 VanDerWaalsContact C-N 3.35Å; F222-D224 PolarHBondContact O-N 2.72Å; D224-Q227 PolarHBondContact O-N 3.28Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 PolarHBondContact O-N 2.81Å
225I98.8Very high98.5Very high0 Ų064.5 Ų64.50%029%0.288CS..Hα-helixtrans-63.2-46.1177.4-73.4172.8000111.4D185 I188 R189 R221 F222 Q227 E228 I229D185-I225 HydrophobicContact CB-CD1 4.12Å; I188-I225 HydrophobicContact CB-CD1 3.95Å; I188-I225 HydrophobicContact CD1-CD1 4.3Å; I188-I225 HydrophobicContact CG2-CB 3.93Å; I188-I225 HydrophobicContact CG2-CD1 3.79Å; I188-I225 HydrophobicContact CG2-CG1 4.46Å; I188-I225 HydrophobicContact CG2-CG2 3.81Å; R189-I225 HydrophobicContact CB-CG2 4.41Å; R189-I225 HydrophobicContact CG-CG2 3.58Å; R221-I225 HydrophobicContact CG-CD1 3.93Å; R221-I225 WeakPolarHBondContact O-CB 3.26Å; R221-I225 VanDerWaalsContact O-CG1 3.31Å; R221-I225 WeakPolarHBondContact O-CG1 3.18Å; R221-I225 PolarHBondContact O-N 3.3Å; F222-I225 PolarHBondContact O-N 2.89Å; I225-Q227 VanDerWaalsContact C-N 3.32Å; I225-Q227 PolarHBondContact O-N 3.18Å; I225-E228 PolarHBondContact O-N 2.63Å; I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 WeakPolarHBondContact O-CG1 3.29Å; I225-I229 PolarHBondContact O-N 3.3Å
226F98.8Very high98.5Very high0 Ų064.1 Ų64.10%030%0.297CS..Hα-helixtrans-62.3-41.7177.5-91.1-115.3000111.5I188 F191 A192 F196 L208 F222 K223 Y230 Y245 A267I188-F226 HydrophobicContact CG2-CD2 4.47Å; I188-F226 HydrophobicContact CG2-CE2 4.4Å; F191-F226 AromaticContact CD1-CE2 3.59Å; F191-F226 HydrophobicContact CD1-CE2 3.59Å; F191-F226 AromaticContact CD1-CZ 3.52Å; F191-F226 HydrophobicContact CD1-CZ 3.52Å; F191-F226 HydrophobicContact CD2-CZ 4.47Å; F191-F226 AromaticContact CE1-CE2 3.89Å; F191-F226 HydrophobicContact CE1-CE2 3.89Å; F191-F226 AromaticContact CE1-CZ 3.56Å; F191-F226 HydrophobicContact CE1-CZ 3.56Å; F191-F226 HydrophobicContact CG-CE2 4.3Å; F191-F226 HydrophobicContact CG-CZ 4.02Å; F191-F226 HydrophobicContact CZ-CZ 4.1Å; A192-F226 VanDerWaalsContact CA-CZ 3.43Å; A192-F226 HydrophobicContact CB-CD1 4.07Å; A192-F226 HydrophobicContact CB-CD2 3.6Å; A192-F226 HydrophobicContact CB-CE1 4.05Å; A192-F226 HydrophobicContact CB-CE2 3.57Å; A192-F226 HydrophobicContact CB-CG 3.86Å; A192-F226 HydrophobicContact CB-CZ 3.81Å; F196-F226 HydrophobicContact CE2-CD1 4.15Å; F196-F226 HydrophobicContact CZ-CB 4.43Å; F196-F226 AromaticContact CZ-CD1 3.95Å; F196-F226 HydrophobicContact CZ-CD1 3.95Å; F196-F226 WeakPolarHBondContact CZ-O 3.46Å; L208-F226 HydrophobicContact CB-CD1 4.2Å; L208-F226 HydrophobicContact CB-CE1 4.4Å; L208-F226 HydrophobicContact CD1-CE1 4.26Å; L208-F226 HydrophobicContact CD1-CE2 4.25Å; L208-F226 HydrophobicContact CD1-CZ 4.1Å; L208-F226 HydrophobicContact CD2-CB 3.9Å; L208-F226 HydrophobicContact CD2-CD1 4.06Å; L208-F226 HydrophobicContact CD2-CD2 3.86Å; L208-F226 HydrophobicContact CD2-CE2 4.38Å; L208-F226 HydrophobicContact CD2-CG 3.68Å; L208-F226 HydrophobicContact CG-CD1 4.5Å; F222-F226 WeakPolarHBondContact O-CD2 3.32Å; F222-F226 PolarHBondContact O-N 3.37Å; K223-F226 PolarHBondContact O-N 2.72Å; F226-Y230 VanDerWaalsContact O-CB 3.3Å; F226-Y230 WeakPolarHBondContact O-CB 3.49Å; F226-Y230 PolarHBondContact O-N 3.39Å; F226-Y245 HydrophobicContact CB-CE1 4.39Å; F226-Y245 HydrophobicContact CB-CE2 4.39Å; F226-Y245 WeakPolarHBondContact CB-OH 3.32Å; F226-Y245 AromaticContact CD1-CE2 3.95Å; F226-Y245 HydrophobicContact CD1-CE2 3.95Å; F226-A267 HydrophobicContact CE1-CB 4Å; F226-A267 HydrophobicContact CZ-CB 4.23Å
227Q98.8Very high98.5Very high67 Ų6761.3 Ų61.331%0.31329%0.286SS..Hα-helixtrans-64.8-45178.1-169.367.540.400111.7K223 D224 I225 I229 Y230 E231K223-Q227 WeakPolarHBondContact O-CB 3.31Å; K223-Q227 PolarHBondContact O-N 3.06Å; D224-Q227 PolarHBondContact O-N 3.28Å; I225-Q227 VanDerWaalsContact C-N 3.32Å; I225-Q227 PolarHBondContact O-N 3.18Å; Q227-I229 PolarHBondContact O-N 3.4Å; Q227-Y230 PolarHBondContact O-N 3.08Å; Q227-E231 HydrophobicContact CG-CG 4.45Å; Q227-E231 PolarHBondContact NE2-OE1 2.95Å; Q227-E231 WeakPolarHBondContact O-CG 3.22Å; Q227-E231 PolarHBondContact O-N 2.88Å
228E98.6Very high98.6Very high88 Ų8852.9 Ų52.941%0.41125%0.25SC..Hα-helixtrans-55.9-50.2177-177.3-168.1176.600111R189 D224 I225 K232R189-E228 IonicContact CZ-OE2 3.3Å; R189-E228 IonicContact NH1-OE1 3.66Å; R189-E228 IonicContact NH1-OE2 3.91Å; R189-E228 PolarHBondContact NH1-OE2 2.88Å; R189-E228 IonicContact NH2-OE1 2.77Å; R189-E228 IonicContact NH2-OE2 2.73Å; R189-E228 PolarHBondContact NH2-OE2 3.38Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 PolarHBondContact O-N 2.81Å; I225-E228 PolarHBondContact O-N 2.63Å; E228-K232 VanDerWaalsContact O-CB 3.24Å; E228-K232 WeakPolarHBondContact O-CB 3.33Å; E228-K232 PolarHBondContact O-N 2.78Å; E228-K232 VanDerWaalsContact O-N 3.13Å
229I98.4Very high98.5Very high4 Ų455.3 Ų55.32%0.02126%0.263CS..Hα-helixtrans-65.6-43.1-179.8-71.4170.5000111R189 A192 F196 I225 Q227 K232 E233 Y234R189-I229 HydrophobicContact CB-CD1 4.07Å; R189-I229 HydrophobicContact CG-CD1 4Å; A192-I229 HydrophobicContact CB-CD1 3.68Å; F196-I229 HydrophobicContact CD2-CG2 3.74Å; F196-I229 HydrophobicContact CE2-CB 4.11Å; F196-I229 HydrophobicContact CE2-CG2 3.67Å; I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 WeakPolarHBondContact O-CG1 3.29Å; I225-I229 PolarHBondContact O-N 3.3Å; Q227-I229 PolarHBondContact O-N 3.4Å; I229-K232 PolarHBondContact O-N 2.65Å; I229-E233 WeakPolarHBondContact O-CB 3.48Å; I229-E233 PolarHBondContact O-N 3.01Å; I229-Y234 HydrophobicContact CG2-CD2 3.57Å; I229-Y234 HydrophobicContact CG2-CE2 3.45Å; I229-Y234 VanDerWaalsContact CG2-CE2 3.45Å
230Y98.7Very high98.5Very high18 Ų1859.4 Ų59.47%0.07130%0.297CS..Iπ-helixtrans-58.2-54.1179.3178.6-113.4000111.7F196 F226 Q227 K232 Y234 R235 F238 Y245F196-Y230 HydrophobicContact CD1-CD2 4.2Å; F196-Y230 AromaticContact CE1-CD2 3.66Å; F196-Y230 HydrophobicContact CE1-CD2 3.66Å; F196-Y230 HydrophobicContact CE1-CG 4.17Å; F196-Y230 HydrophobicContact CZ-CD2 4.26Å; F196-Y230 HydrophobicContact CZ-CG 4.36Å; F226-Y230 VanDerWaalsContact O-CB 3.3Å; F226-Y230 WeakPolarHBondContact O-CB 3.49Å; F226-Y230 PolarHBondContact O-N 3.39Å; Q227-Y230 PolarHBondContact O-N 3.08Å; Y230-K232 VanDerWaalsContact C-N 3.32Å; Y230-K232 PolarHBondContact O-N 3.42Å; Y230-Y234 PolarHBondContact O-N 3.41Å; Y230-R235 HydrophobicContact CD1-CB 4.35Å; Y230-R235 HydrophobicContact CE1-CB 4Å; Y230-R235 HydrophobicContact CE1-CG 4Å; Y230-R235 HydrophobicContact CE2-CB 4.24Å; Y230-R235 WeakPolarHBondContact O-CB 3.25Å; Y230-R235 PolarHBondContact O-N 2.96Å; Y230-F238 HydrophobicContact CE2-CB 4.01Å; Y230-F238 AromaticContact CE2-CD1 3.95Å; Y230-F238 HydrophobicContact CE2-CD1 3.95Å; Y230-F238 HydrophobicContact CE2-CD2 4.29Å; Y230-F238 AromaticContact CE2-CG 3.83Å; Y230-F238 HydrophobicContact CE2-CG 3.83Å; Y230-Y245 AromaticContact CD1-CD1 3.81Å; Y230-Y245 HydrophobicContact CD1-CD1 3.81Å; Y230-Y245 HydrophobicContact CD2-CD1 4.1Å; Y230-Y245 HydrophobicContact CD2-CG 4.16Å; Y230-Y245 HydrophobicContact CE1-CD1 4.4Å; Y230-Y245 AromaticContact CG-CD1 3.62Å; Y230-Y245 HydrophobicContact CG-CD1 3.62Å; Y230-Y245 HydrophobicContact CG-CG 4.16Å
231E98.6Very high98.5Very high88 Ų8864.3 Ų64.341%0.41132%0.317SS..Iπ-helixtrans-63-40-177.3-68.7-65.9171.900112Q227 R235Q227-E231 HydrophobicContact CG-CG 4.45Å; Q227-E231 PolarHBondContact NE2-OE1 2.95Å; Q227-E231 WeakPolarHBondContact O-CG 3.22Å; Q227-E231 PolarHBondContact O-N 2.88Å; E231-R235 IonicContact OE1-NH1 3.71Å; E231-R235 PolarHBondContact OE1-NH1 3.45Å; E231-R235 WeakPolarHBondContact OE2-CD 3.41Å; E231-R235 IonicContact OE2-CZ 3.26Å; E231-R235 IonicContact OE2-NE 3.67Å; E231-R235 IonicContact OE2-NH1 3.78Å; E231-R235 PolarHBondContact OE2-NH1 3.19Å
232K98.4Very high98.5Very high156 Ų15663.1 Ų63.168%0.67833%0.331SS*.Iπ-helixtrans-76.7-37.7-175.1-173.1-173.6174.8-1630113E228 I229 Y230E228-K232 VanDerWaalsContact O-CB 3.24Å; E228-K232 WeakPolarHBondContact O-CB 3.33Å; E228-K232 PolarHBondContact O-N 2.78Å; E228-K232 VanDerWaalsContact O-N 3.13Å; I229-K232 PolarHBondContact O-N 2.65Å; Y230-K232 VanDerWaalsContact C-N 3.32Å; Y230-K232 PolarHBondContact O-N 3.42Å
233E97.8Very high98.5Very high81 Ų8163.7 Ų63.738%0.37933%0.334SS..Iπ-helixtrans-126.1-30.6-162.6-60.7-178-145.700114.6H193 I229 Q237H193-E233 IonicContact CE1-OE2 3.79Å; H193-E233 PolarHBondContact CE1-OE2 2.75Å; H193-E233 VanDerWaalsContact CE1-OE2 3.26Å; H193-E233 IonicContact ND1-OE2 3.82Å; I229-E233 WeakPolarHBondContact O-CB 3.48Å; I229-E233 PolarHBondContact O-N 3.01Å; E233-Q237 PolarHBondContact O-NE2 3.44Å
234Y97.9Very high98.5Very high16 Ų1666 Ų666%0.06334%0.341CS..Iπ-helixtrans-115.5-23.1-167.2-68.2-81000115H193 F196 Q197 L200 I229 Y230 A236 Q237 F238H193-Y234 AromaticContact CE1-CE2 3.99Å; H193-Y234 AromaticContact ND1-CE2 3.44Å; H193-Y234 WeakPolarHBondContact ND1-CE2 3.42Å; H193-Y234 AromaticContact ND1-CZ 3.62Å; H193-Y234 PolarHBondContact ND1-OH 3.29Å; F196-Y234 HydrophobicContact CB-CD1 3.59Å; F196-Y234 HydrophobicContact CB-CD2 3.89Å; F196-Y234 HydrophobicContact CB-CE1 3.73Å; F196-Y234 HydrophobicContact CB-CE2 4.02Å; F196-Y234 HydrophobicContact CB-CG 3.66Å; F196-Y234 HydrophobicContact CD1-CG 4.43Å; F196-Y234 AromaticContact CD2-CD2 3.67Å; F196-Y234 HydrophobicContact CD2-CD2 3.67Å; F196-Y234 AromaticContact CD2-CE2 3.92Å; F196-Y234 HydrophobicContact CD2-CE2 3.92Å; F196-Y234 HydrophobicContact CD2-CG 4.18Å; F196-Y234 HydrophobicContact CE2-CD2 4.43Å; F196-Y234 HydrophobicContact CG-CD1 4.31Å; F196-Y234 AromaticContact CG-CD2 3.84Å; F196-Y234 HydrophobicContact CG-CD2 3.84Å; F196-Y234 HydrophobicContact CG-CE2 4.26Å; F196-Y234 AromaticContact CG-CG 3.86Å; F196-Y234 HydrophobicContact CG-CG 3.86Å; Q197-Y234 HydrophobicContact CG-CE1 4.29Å; L200-Y234 HydrophobicContact CD1-CD1 3.75Å; L200-Y234 HydrophobicContact CD1-CE1 4.12Å; I229-Y234 HydrophobicContact CG2-CD2 3.57Å; I229-Y234 HydrophobicContact CG2-CE2 3.45Å; I229-Y234 VanDerWaalsContact CG2-CE2 3.45Å; Y230-Y234 PolarHBondContact O-N 3.41Å; Y234-A236 PolarHBondContact O-N 3.42Å; Y234-Q237 WeakPolarHBondContact O-CB 3.23Å; Y234-Q237 PolarHBondContact O-N 2.75Å; Y234-F238 HydrophobicContact CD1-CE2 4.43Å; Y234-F238 WeakPolarHBondContact O-CD2 3.41Å; Y234-F238 PolarHBondContact O-N 2.92Å
235R98.6Very high98.5Very high103 Ų10362.5 Ų62.539%0.38932%0.321SS..Hα-helixtrans-53.7-50.3-173.9179.8171.6178.7173.12.3113.4Y230 E231 Q237 F238 E239Y230-R235 HydrophobicContact CD1-CB 4.35Å; Y230-R235 HydrophobicContact CE1-CB 4Å; Y230-R235 HydrophobicContact CE1-CG 4Å; Y230-R235 HydrophobicContact CE2-CB 4.24Å; Y230-R235 WeakPolarHBondContact O-CB 3.25Å; Y230-R235 PolarHBondContact O-N 2.96Å; E231-R235 IonicContact OE1-NH1 3.71Å; E231-R235 PolarHBondContact OE1-NH1 3.45Å; E231-R235 WeakPolarHBondContact OE2-CD 3.41Å; E231-R235 IonicContact OE2-CZ 3.26Å; E231-R235 IonicContact OE2-NE 3.67Å; E231-R235 IonicContact OE2-NH1 3.78Å; E231-R235 PolarHBondContact OE2-NH1 3.19Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.4Å; R235-F238 PolarHBondContact O-N 2.94Å; R235-E239 HydrophobicContact CG-CG 4.35Å; R235-E239 WeakPolarHBondContact CG-OE1 3.5Å; R235-E239 IonicContact CZ-OE1 3.99Å; R235-E239 IonicContact NE-OE1 3.57Å; R235-E239 PolarHBondContact NE-OE1 3.42Å; R235-E239 IonicContact NH2-OE1 3.92Å; R235-E239 WeakPolarHBondContact O-CG 3.23Å; R235-E239 PolarHBondContact O-N 2.77Å
236A98.6Very high98.4Very high74 Ų7465.6 Ų65.661%0.61234%0.335SS*.Hα-helixtrans-60.6-36.4179.100000112.7Y234 A240Y234-A236 PolarHBondContact O-N 3.42Å; A236-A240 VanDerWaalsContact O-CB 3.3Å; A236-A240 WeakPolarHBondContact O-CB 3.33Å; A236-A240 PolarHBondContact O-N 3.46Å
237Q98.3Very high98.4Very high98 Ų9867.2 Ų67.246%0.45834%0.343SS..Hα-helixtrans-72.2-36.2178.8-57.3-18061.800111.8L200 E233 Y234 R235 K241L200-Q237 HydrophobicContact CD1-CB 4.09Å; L200-Q237 HydrophobicContact CD2-CB 3.77Å; E233-Q237 PolarHBondContact O-NE2 3.44Å; Y234-Q237 WeakPolarHBondContact O-CB 3.23Å; Y234-Q237 PolarHBondContact O-N 2.75Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.4Å; Q237-K241 PolarHBondContact O-N 3.23Å
238F98.6Very high98.4Very high0 Ų066.7 Ų66.70%034%0.338CS..Hα-helixtrans-67.7-48.8175.5-90.4-119.6000111.2F196 A199 L200 L206 Y230 Y234 R235 A240 K241 G242 I243F196-F238 HydrophobicContact CB-CE2 4.14Å; F196-F238 HydrophobicContact CB-CZ 4.3Å; F196-F238 HydrophobicContact CD1-CE1 4.39Å; F196-F238 AromaticContact CD1-CE2 3.91Å; F196-F238 HydrophobicContact CD1-CE2 3.91Å; F196-F238 AromaticContact CD1-CZ 3.62Å; F196-F238 HydrophobicContact CD1-CZ 3.62Å; F196-F238 HydrophobicContact CG-CE2 4.47Å; F196-F238 HydrophobicContact CG-CZ 4.45Å; A199-F238 HydrophobicContact CB-CE1 4.04Å; A199-F238 HydrophobicContact CB-CZ 3.61Å; L200-F238 HydrophobicContact CD1-CD2 4.47Å; L200-F238 HydrophobicContact CD1-CE2 4.19Å; L200-F238 HydrophobicContact CD2-CD2 3.61Å; L200-F238 HydrophobicContact CD2-CE2 3.83Å; L200-F238 HydrophobicContact CD2-CG 4.45Å; L200-F238 HydrophobicContact CG-CD2 3.92Å; L200-F238 HydrophobicContact CG-CE2 3.59Å; L200-F238 HydrophobicContact CG-CZ 4.48Å; L206-F238 HydrophobicContact CB-CE1 4.15Å; L206-F238 HydrophobicContact CB-CZ 4.49Å; Y230-F238 HydrophobicContact CE2-CB 4.01Å; Y230-F238 AromaticContact CE2-CD1 3.95Å; Y230-F238 HydrophobicContact CE2-CD1 3.95Å; Y230-F238 HydrophobicContact CE2-CD2 4.29Å; Y230-F238 AromaticContact CE2-CG 3.83Å; Y230-F238 HydrophobicContact CE2-CG 3.83Å; Y234-F238 HydrophobicContact CD1-CE2 4.43Å; Y234-F238 WeakPolarHBondContact O-CD2 3.41Å; Y234-F238 PolarHBondContact O-N 2.92Å; R235-F238 PolarHBondContact O-N 2.94Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 2.88Å; F238-K241 CarbonylContact O-C 3.56Å; F238-K241 PolarHBondContact O-N 2.96Å; F238-G242 PolarHBondContact O-N 3.38Å; F238-I243 CarbonylContact C-O 3.59Å; F238-I243 HydrophobicContact CB-CG1 4.03Å; F238-I243 HydrophobicContact CD1-CB 4.4Å; F238-I243 HydrophobicContact CD1-CD1 3.72Å; F238-I243 HydrophobicContact CD1-CG1 3.67Å; F238-I243 HydrophobicContact CD2-CD1 4.43Å; F238-I243 HydrophobicContact CE1-CD1 3.89Å; F238-I243 HydrophobicContact CE1-CG1 4.3Å; F238-I243 HydrophobicContact CG-CD1 4.01Å; F238-I243 HydrophobicContact CG-CG1 3.91Å; F238-I243 HydrophobicContact CZ-CD1 4.31Å; F238-I243 WeakPolarHBondContact O-CG1 3.39Å; F238-I243 PolarHBondContact O-N 2.76Å
239E98.3Very high98.4Very high111 Ų11164.9 Ų64.952%0.51933%0.331SS..Hα-helixtrans-59.7-41.3176.9-72174.8178.200111.2R235 K241 G242R235-E239 HydrophobicContact CG-CG 4.35Å; R235-E239 WeakPolarHBondContact CG-OE1 3.5Å; R235-E239 IonicContact CZ-OE1 3.99Å; R235-E239 IonicContact NE-OE1 3.57Å; R235-E239 PolarHBondContact NE-OE1 3.42Å; R235-E239 IonicContact NH2-OE1 3.92Å; R235-E239 WeakPolarHBondContact O-CG 3.23Å; R235-E239 PolarHBondContact O-N 2.77Å; E239-K241 PolarHBondContact O-N 3.42Å; E239-G242 PolarHBondContact O-N 3.08Å
240A98.4Very high98.4Very high88 Ų8865.9 Ų65.973%0.72734%0.336SS*.Hα-helixtrans-62-25175.500000114A236 F238A236-A240 VanDerWaalsContact O-CB 3.3Å; A236-A240 WeakPolarHBondContact O-CB 3.33Å; A236-A240 PolarHBondContact O-N 3.46Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 2.88Å
241K97.9Very high98.4Very high110 Ų11069 Ų6948%0.47835%0.354SS..THydrogen-bonded Turntrans-97.5-0.2175.4-79.7176.7174.6-104.90113.4L200 A203 Q237 F238 E239 I243L200-K241 HydrophobicContact CD2-CD 3.83Å; L200-K241 WeakPolarHBondContact O-CE 3.46Å; L200-K241 PolarHBondContact O-NZ 3.13Å; A203-K241 HydrophobicContact CB-CD 4.41Å; Q237-K241 PolarHBondContact O-N 3.23Å; F238-K241 CarbonylContact O-C 3.56Å; F238-K241 PolarHBondContact O-N 2.96Å; E239-K241 PolarHBondContact O-N 3.42Å; K241-I243 VanDerWaalsContact C-N 3.28Å; K241-I243 HydrophobicContact CB-CD1 4.36Å; K241-I243 HydrophobicContact CB-CG1 3.98Å; K241-I243 PolarHBondContact O-N 3.5Å
242G98.2Very high98.3Very high60 Ų6068.4 Ų68.462%0.61935%0.354SS*.THydrogen-bonded Turntrans67.126.7-177.100000113.9F238 E239F238-G242 PolarHBondContact O-N 3.38Å; E239-G242 PolarHBondContact O-N 3.08Å
243I98.6Very high98.3Very high14 Ų1461 Ų617%0.07232%0.321CS..  trans-115.4166.8177.458.6168.4000110.8L200 A203 W204 F238 K241L200-I243 HydrophobicContact CD2-CD1 4.36Å; A203-I243 VanDerWaalsContact O-CG2 3.31Å; A203-I243 WeakPolarHBondContact O-CG2 3.42Å; W204-I243 WeakPolarHBondContact O-CD1 3.29Å; F238-I243 CarbonylContact C-O 3.59Å; F238-I243 HydrophobicContact CB-CG1 4.03Å; F238-I243 HydrophobicContact CD1-CB 4.4Å; F238-I243 HydrophobicContact CD1-CD1 3.72Å; F238-I243 HydrophobicContact CD1-CG1 3.67Å; F238-I243 HydrophobicContact CD2-CD1 4.43Å; F238-I243 HydrophobicContact CE1-CD1 3.89Å; F238-I243 HydrophobicContact CE1-CG1 4.3Å; F238-I243 HydrophobicContact CG-CD1 4.01Å; F238-I243 HydrophobicContact CG-CG1 3.91Å; F238-I243 HydrophobicContact CZ-CD1 4.31Å; F238-I243 WeakPolarHBondContact O-CG1 3.39Å; F238-I243 PolarHBondContact O-N 2.76Å; K241-I243 VanDerWaalsContact C-N 3.28Å; K241-I243 HydrophobicContact CB-CD1 4.36Å; K241-I243 HydrophobicContact CB-CG1 3.98Å; K241-I243 PolarHBondContact O-N 3.5Å
244W98.7Very high98.3Very high119 Ų11959.2 Ų59.245%0.45132%0.316SS..  trans-137.8163.7-177.162.693.2000112.2P205 L206 Y207P205-W244 WeakPolarHBondContact CA-O 3.4Å; P205-W244 HydrophobicContact CB-CD2 3.81Å; P205-W244 HydrophobicContact CB-CE3 4.21Å; P205-W244 HydrophobicContact CB-CG 4.29Å; P205-W244 HydrophobicContact CB-CH2 4.18Å; P205-W244 HydrophobicContact CB-CZ2 3.78Å; P205-W244 HydrophobicContact CB-CZ3 4.38Å; P205-W244 HydrophobicContact CG-CH2 4.12Å; P205-W244 HydrophobicContact CG-CZ2 3.94Å; L206-W244 PolarHBondContact N-O 3.41Å; Y207-W244 AromaticContact CZ-NE1 3.71Å; Y207-W244 PolarHBondContact OH-NE1 2.84Å
245Y98.8Very high98.3Very high17 Ų1760.1 Ų60.17%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-111.2139166.7161.8-111.7000109.8F196 L206 L208 F226 Y230F196-Y245 HydrophobicContact CE1-CD1 4.17Å; F196-Y245 AromaticContact CE1-CD2 3.8Å; F196-Y245 HydrophobicContact CE1-CD2 3.8Å; F196-Y245 HydrophobicContact CE1-CE2 4.45Å; F196-Y245 AromaticContact CE1-CG 3.65Å; F196-Y245 HydrophobicContact CE1-CG 3.65Å; F196-Y245 HydrophobicContact CZ-CD1 4.29Å; F196-Y245 HydrophobicContact CZ-CD2 4.2Å; F196-Y245 HydrophobicContact CZ-CE1 4.5Å; F196-Y245 HydrophobicContact CZ-CE2 4.43Å; F196-Y245 HydrophobicContact CZ-CG 4.14Å; L206-Y245 HydrophobicContact CB-CD2 4.34Å; L206-Y245 HydrophobicContact CD2-CD2 3.97Å; L206-Y245 HydrophobicContact CG-CD2 4.02Å; L206-Y245 CarbonylContact O-C 3.59Å; L206-Y245 VanDerWaalsContact O-CA 3.31Å; L206-Y245 WeakPolarHBondContact O-CA 3.34Å; L208-Y245 HydrophobicContact CB-CE2 3.82Å; F226-Y245 HydrophobicContact CB-CE1 4.39Å; F226-Y245 HydrophobicContact CB-CE2 4.39Å; F226-Y245 WeakPolarHBondContact CB-OH 3.32Å; F226-Y245 AromaticContact CD1-CE2 3.95Å; F226-Y245 HydrophobicContact CD1-CE2 3.95Å; Y230-Y245 AromaticContact CD1-CD1 3.81Å; Y230-Y245 HydrophobicContact CD1-CD1 3.81Å; Y230-Y245 HydrophobicContact CD2-CD1 4.1Å; Y230-Y245 HydrophobicContact CD2-CG 4.16Å; Y230-Y245 HydrophobicContact CE1-CD1 4.4Å; Y230-Y245 AromaticContact CG-CD1 3.62Å; Y230-Y245 HydrophobicContact CG-CD1 3.62Å; Y230-Y245 HydrophobicContact CG-CG 4.16Å
246E98.5Very high98.2Very high65 Ų6556.9 Ų56.930%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-141.4136.5176-166-177.3150.700111.8L206 Y207 L208 R248L206-E246 PolarHBondContact O-N 3.38Å; Y207-E246 VanDerWaalsContact CA-O 3.28Å; Y207-E246 WeakPolarHBondContact CA-O 3.32Å; Y207-E246 HydrophobicContact CD1-CB 3.85Å; Y207-E246 HydrophobicContact CE1-CB 3.85Å; Y207-E246 HydrophobicContact CE1-CG 4.44Å; Y207-E246 WeakPolarHBondContact CE1-OE2 3.33Å; L208-E246 PolarHBondContact N-O 3.44Å; E246-R248 HydrophobicContact CG-CG 4.37Å; E246-R248 IonicContact OE1-CZ 3.86Å; E246-R248 IonicContact OE1-NE 2.6Å; E246-R248 PolarHBondContact OE1-NE 3.03Å; E246-R248 IonicContact OE1-NH2 2.96Å; E246-R248 PolarHBondContact OE1-NH2 2.87Å; E246-R248 IonicContact OE2-NE 3.81Å; E246-R248 IonicContact OE2-NH2 3.93Å; E246-R248 PolarHBondContact OE2-NH2 3.4Å
247H98.8Very high98Very high34 Ų3453.5 Ų53.516%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-88.6134.8167.2168.2-99.5000110.2L208 T210 N212 K223L208-H247 WeakPolarHBondContact O-CA 3.49Å; T210-H247 PolarHBondContact OG1-NE2 3.14Å; N212-H247 PolarHBondContact OD1-CE1 2.82Å; N212-H247 VanDerWaalsContact OD1-CE1 3.31Å; K223-H247 HydrophobicContact CG-CB 4.26Å
248R98.6Very high97.9Very high57 Ų5753.7 Ų53.722%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-131.4156.2174.2-70.1-167.6171.4-134.69112.7Y207 L208 S209 T210 E246 D252 M253Y207-R248 HydrophobicContact CD1-CG 4.41Å; L208-R248 PolarHBondContact O-N 2.78Å; S209-R248 WeakPolarHBondContact CA-O 3.49Å; T210-R248 PolarHBondContact N-O 3.42Å; T210-R248 VanDerWaalsContact N-O 3.13Å; E246-R248 HydrophobicContact CG-CG 4.37Å; E246-R248 IonicContact OE1-CZ 3.86Å; E246-R248 IonicContact OE1-NE 2.6Å; E246-R248 PolarHBondContact OE1-NE 3.03Å; E246-R248 IonicContact OE1-NH2 2.96Å; E246-R248 PolarHBondContact OE1-NH2 2.87Å; E246-R248 IonicContact OE2-NE 3.81Å; E246-R248 IonicContact OE2-NH2 3.93Å; E246-R248 PolarHBondContact OE2-NH2 3.4Å; R248-D252 IonicContact CZ-OD2 2.83Å; R248-D252 IonicContact NE-OD2 2.91Å; R248-D252 IonicContact NH1-OD1 2.65Å; R248-D252 IonicContact NH1-OD2 3.24Å; R248-D252 PolarHBondContact NH1-OD2 3.19Å; R248-M253 HydrophobicContact CB-CB 4.13Å; R248-M253 HydrophobicContact CB-SD 4.43Å
249L98.6Very high97.7Very high50 Ų5062.3 Ų62.326%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-71.5140.2165.8-63176.7000109.2T210 N212 T213 D251 D252 M253T210-L249 CarbonylContact O-C 3.56Å; T210-L249 WeakPolarHBondContact O-CA 3.31Å; N212-L249 WeakPolarHBondContact OD1-CD2 3.05Å; T213-L249 HydrophobicContact CG2-CD1 3.85Å; T213-L249 HydrophobicContact CG2-CD2 3.85Å; L249-D251 VanDerWaalsContact CB-OD1 3.23Å; L249-D251 WeakPolarHBondContact CB-OD1 3.23Å; L249-D251 PolarHBondContact O-N 2.97Å; L249-D252 PolarHBondContact O-N 2.73Å; L249-M253 PolarHBondContact O-N 3.35Å
250I98.4Very high97.6Very high24 Ų2458.1 Ų58.112%0.12331%0.312CS..Hα-helixtrans-57-35.8-174-177.763000113.2S209 T210 K211 M253 V254 W266 D272S209-I250 WeakPolarHBondContact OG-CD1 3.44Å; T210-I250 PolarHBondContact O-N 2.92Å; K211-I250 HydrophobicContact CB-CG2 4.25Å; K211-I250 HydrophobicContact CD-CG2 3.64Å; I250-M253 PolarHBondContact O-N 2.9Å; I250-V254 HydrophobicContact CD1-CG1 4.23Å; I250-V254 WeakPolarHBondContact O-CG1 3.37Å; I250-V254 WeakPolarHBondContact O-CG2 3.1Å; I250-V254 PolarHBondContact O-N 2.76Å; I250-W266 HydrophobicContact CD1-CZ2 3.75Å; I250-D272 HydrophobicContact CD1-CB 4.19Å
251D97.4Very high97.4Very high83 Ų8359.8 Ų59.844%0.44431%0.305SS..Hα-helixtrans-67.9-36.517647.7-35.9000113.6K211 L249 V254K211-D251 IonicContact NZ-OD1 2.88Å; K211-D251 PolarHBondContact NZ-OD1 3.36Å; K211-D251 IonicContact NZ-OD2 2.92Å; K211-D251 PolarHBondContact NZ-OD2 3.08Å; L249-D251 VanDerWaalsContact CB-OD1 3.23Å; L249-D251 WeakPolarHBondContact CB-OD1 3.23Å; L249-D251 PolarHBondContact O-N 2.97Å; D251-V254 WeakPolarHBondContact O-CG2 3.19Å
252D97.6Very high97.3Very high77 Ų7755.2 Ų55.241%0.41229%0.289SS..Hα-helixtrans-73.2-41.3171.7-179.147.7000110.9R248 L249 V254 A255 Q256R248-D252 IonicContact CZ-OD2 2.83Å; R248-D252 IonicContact NE-OD2 2.91Å; R248-D252 IonicContact NH1-OD1 2.65Å; R248-D252 IonicContact NH1-OD2 3.24Å; R248-D252 PolarHBondContact NH1-OD2 3.19Å; L249-D252 PolarHBondContact O-N 2.73Å; D252-V254 PolarHBondContact O-N 3.32Å; D252-A255 PolarHBondContact O-N 2.81Å; D252-A255 VanDerWaalsContact O-N 3.14Å; D252-Q256 WeakPolarHBondContact O-CB 3.44Å; D252-Q256 PolarHBondContact O-N 2.67Å
253M98.4Very high97.2Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-62.7-42.3-177.9-171.460.9-154.900112.5Y207 R248 L249 I250 A255 Q256 A257 F264 W266Y207-M253 HydrophobicContact CD1-SD 4.07Å; Y207-M253 HydrophobicContact CD2-CE 4.01Å; Y207-M253 HydrophobicContact CG-CE 3.8Å; Y207-M253 HydrophobicContact CG-SD 3.87Å; R248-M253 HydrophobicContact CB-CB 4.13Å; R248-M253 HydrophobicContact CB-SD 4.43Å; L249-M253 PolarHBondContact O-N 3.35Å; I250-M253 PolarHBondContact O-N 2.9Å; M253-A255 VanDerWaalsContact C-N 3.31Å; M253-A255 PolarHBondContact O-N 3.17Å; M253-Q256 PolarHBondContact O-N 2.93Å; M253-A257 WeakPolarHBondContact O-CB 3.2Å; M253-A257 PolarHBondContact O-N 3.25Å; M253-F264 HydrophobicContact CE-CD2 3.91Å; M253-F264 HydrophobicContact CE-CE2 3.32Å; M253-F264 HydrophobicContact CE-CZ 3.97Å; M253-W266 HydrophobicContact CB-CZ2 4.12Å; M253-W266 HydrophobicContact CE-CB 4.26Å; M253-W266 HydrophobicContact CE-CD2 3.84Å; M253-W266 HydrophobicContact CE-CE3 4.18Å; M253-W266 HydrophobicContact CE-CG 3.87Å; M253-W266 HydrophobicContact CG-CD2 3.94Å; M253-W266 HydrophobicContact CG-CG 4.36Å; M253-W266 HydrophobicContact CG-CH2 4.27Å; M253-W266 HydrophobicContact CG-CZ2 3.55Å
254V97.4Very high97.1Very high43 Ų4352.5 Ų52.526%0.26126%0.263SS..Hα-helixtrans-63.1-38.7175.6-64.30000111.4I250 D251 D252 A257 L258 W266I250-V254 HydrophobicContact CD1-CG1 4.23Å; I250-V254 WeakPolarHBondContact O-CG1 3.37Å; I250-V254 WeakPolarHBondContact O-CG2 3.1Å; I250-V254 PolarHBondContact O-N 2.76Å; D251-V254 WeakPolarHBondContact O-CG2 3.19Å; D252-V254 PolarHBondContact O-N 3.32Å; V254-A257 PolarHBondContact O-N 3.3Å; V254-L258 WeakPolarHBondContact O-CG 3.24Å; V254-L258 PolarHBondContact O-N 2.96Å; V254-L258 VanDerWaalsContact O-N 3.16Å; V254-W266 HydrophobicContact CB-CH2 4.39Å; V254-W266 HydrophobicContact CG1-CH2 3.68Å; V254-W266 HydrophobicContact CG1-CZ2 4.08Å
255A96.9Very high97.1Very high35 Ų3546.9 Ų46.929%0.28924%0.241SC..Hα-helixtrans-70.3-40.6178.500000111.7D252 M253 K259D252-A255 PolarHBondContact O-N 2.81Å; D252-A255 VanDerWaalsContact O-N 3.14Å; M253-A255 VanDerWaalsContact C-N 3.31Å; M253-A255 PolarHBondContact O-N 3.17Å; A255-K259 WeakPolarHBondContact O-CG 3.45Å; A255-K259 PolarHBondContact O-N 3.42Å
256Q96.3Very high97.1Very high36 Ų3646.1 Ų46.117%0.16824%0.238CC..Hα-helixtrans-62.8-46.6173.3-178.7-167.8-16.400110.9Y207 D252 M253 L258 K259 S260Y207-Q256 VanDerWaalsContact CZ-NE2 3.29Å; Y207-Q256 PolarHBondContact OH-NE2 2.9Å; D252-Q256 WeakPolarHBondContact O-CB 3.44Å; D252-Q256 PolarHBondContact O-N 2.67Å; M253-Q256 PolarHBondContact O-N 2.93Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 2.77Å; Q256-K259 CarbonylContact O-C 3.53Å; Q256-K259 PolarHBondContact O-N 3.11Å; Q256-K259 VanDerWaalsContact O-N 3.08Å; Q256-S260 VanDerWaalsContact O-CB 3.29Å; Q256-S260 WeakPolarHBondContact O-CB 3.36Å; Q256-S260 PolarHBondContact O-N 3.21Å
257A96.3Very high97.1Very high3 Ų343 Ų433%0.02522%0.224CC..Hα-helixtrans-56-47.2179.700000111W124 M253 V254 K259 S260 F264 W266W124-A257 PolarHBondContact NE1-O 3.03Å; M253-A257 WeakPolarHBondContact O-CB 3.2Å; M253-A257 PolarHBondContact O-N 3.25Å; V254-A257 PolarHBondContact O-N 3.3Å; A257-K259 VanDerWaalsContact C-N 3.31Å; A257-K259 PolarHBondContact O-N 3.42Å; A257-S260 PolarHBondContact O-N 2.91Å; A257-S260 PolarHBondContact O-OG 3.4Å; A257-F264 HydrophobicContact CB-CZ 4.01Å; A257-W266 HydrophobicContact CB-CE3 4.21Å; A257-W266 HydrophobicContact CB-CH2 4.39Å; A257-W266 HydrophobicContact CB-CZ3 3.71Å
258L95.3Very high97.1Very high101 Ų10141.4 Ų41.453%0.52922%0.216SC..Hα-helixtrans-61.5-34.3176.7-74.4171.1000114V121 W124 V254 Q256V121-L258 HydrophobicContact CG1-CD2 4.45Å; V121-L258 HydrophobicContact CG2-CD2 3.96Å; W124-L258 HydrophobicContact CZ2-CD2 4.14Å; V254-L258 WeakPolarHBondContact O-CG 3.24Å; V254-L258 PolarHBondContact O-N 2.96Å; V254-L258 VanDerWaalsContact O-N 3.16Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 2.77Å
259K94.5Very high97Very high181 Ų18139.3 Ų39.379%0.78721%0.209SC*.Hα-helixtrans-87.7-15.7-179.4-68.5174.6-177.1176.30113.8A255 Q256 A257A255-K259 WeakPolarHBondContact O-CG 3.45Å; A255-K259 PolarHBondContact O-N 3.42Å; Q256-K259 CarbonylContact O-C 3.53Å; Q256-K259 PolarHBondContact O-N 3.11Å; Q256-K259 VanDerWaalsContact O-N 3.08Å; A257-K259 VanDerWaalsContact C-N 3.31Å; A257-K259 PolarHBondContact O-N 3.42Å
260S95.6Very high96.8Very high24 Ų2437 Ų3717%0.16820%0.197CC..SBendtrans-77.5167.8-176.174.60000112.7Q256 A257 G262 F264Q256-S260 VanDerWaalsContact O-CB 3.29Å; Q256-S260 WeakPolarHBondContact O-CB 3.36Å; Q256-S260 PolarHBondContact O-N 3.21Å; A257-S260 PolarHBondContact O-N 2.91Å; A257-S260 PolarHBondContact O-OG 3.4Å; S260-G262 VanDerWaalsContact C-N 3.26Å; S260-G262 PolarHBondContact OG-N 2.83Å; S260-F264 WeakPolarHBondContact OG-CE1 3.45Å
261E95.2Very high96.5Very high123 Ų12341.5 Ų41.558%0.57521%0.213SC*.  trans-84.83.4168.9-62.1-175.616700113.6G123 V125 K126G123-E261 WeakPolarHBondContact O-CA 3.08Å; V125-E261 PolarHBondContact N-O 3.46Å; K126-E261 PolarHBondContact N-O 3.4Å
262G95.1Very high96.4Very high14 Ų1439 Ų3914%0.14420%0.2CC..  trans76.4-158.9-165.900000113.2K126 S260K126-G262 WeakPolarHBondContact O-CA 3.4Å; S260-G262 VanDerWaalsContact C-N 3.26Å; S260-G262 PolarHBondContact OG-N 2.83Å
263G96.2Very high96.2Very high10 Ų1035.3 Ų35.310%0.10318%0.18CC..  trans80.838.8177.100000114.3P127P127-G263 WeakPolarHBondContact O-CA 3.07Å; P127-G263 PolarHBondContact O-N 3.36Å
264F97.7Very high95.5Very high7 Ų737.6 Ų37.63%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-143.2160.1177.859.9-90.2000111.3I128 I129 P205 Y207 M253 A257 S260 W266I128-F264 HydrophobicContact CB-CZ 4.41Å; I128-F264 HydrophobicContact CD1-CE1 4.01Å; I128-F264 HydrophobicContact CD1-CZ 3.75Å; I128-F264 HydrophobicContact CG1-CD1 4.47Å; I128-F264 HydrophobicContact CG1-CE1 3.76Å; I128-F264 HydrophobicContact CG1-CE2 4.38Å; I128-F264 HydrophobicContact CG1-CZ 3.71Å; I128-F264 HydrophobicContact CG2-CD2 4.34Å; I128-F264 HydrophobicContact CG2-CE2 3.7Å; I128-F264 HydrophobicContact CG2-CZ 3.83Å; I129-F264 PolarHBondContact N-O 3.04Å; I129-F264 VanDerWaalsContact N-O 3.13Å; P205-F264 HydrophobicContact CG-CB 3.96Å; Y207-F264 HydrophobicContact CD2-CB 3.92Å; Y207-F264 AromaticContact CD2-CD2 3.77Å; Y207-F264 HydrophobicContact CD2-CD2 3.77Å; Y207-F264 AromaticContact CD2-CG 3.98Å; Y207-F264 HydrophobicContact CD2-CG 3.98Å; Y207-F264 HydrophobicContact CE2-CB 3.84Å; Y207-F264 HydrophobicContact CE2-CD2 4.3Å; Y207-F264 HydrophobicContact CE2-CG 4.05Å; M253-F264 HydrophobicContact CE-CD2 3.91Å; M253-F264 HydrophobicContact CE-CE2 3.32Å; M253-F264 HydrophobicContact CE-CZ 3.97Å; A257-F264 HydrophobicContact CB-CZ 4.01Å; S260-F264 WeakPolarHBondContact OG-CE1 3.45Å; F264-W266 HydrophobicContact CD2-CB 4.06Å; F264-W266 HydrophobicContact CE2-CB 3.87Å; F264-W266 HydrophobicContact CE2-CE3 4.28Å; F264-W266 HydrophobicContact CE2-CG 4.48Å
265I98Very high95.1Very high0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-93.8133.1168.5-45-55.7000108.1F108 I129 M198 A199 K202 W204 P205 L206 Y207F108-I265 HydrophobicContact CE1-CG2 4.2Å; I129-I265 HydrophobicContact CB-CD1 3.65Å; I129-I265 HydrophobicContact CD1-CD1 3.62Å; I129-I265 HydrophobicContact CG1-CD1 4.07Å; I129-I265 HydrophobicContact CG2-CD1 4.06Å; I129-I265 HydrophobicContact CG2-CG2 4.46Å; I129-I265 CarbonylContact O-C 3.56Å; I129-I265 WeakPolarHBondContact O-CA 3.26Å; M198-I265 HydrophobicContact CG-CD1 3.86Å; M198-I265 HydrophobicContact CG-CG1 4.21Å; M198-I265 HydrophobicContact CG-CG2 4.28Å; A199-I265 HydrophobicContact CB-CG1 3.92Å; K202-I265 HydrophobicContact CB-CD1 4.44Å; K202-I265 HydrophobicContact CG-CD1 4.29Å; W204-I265 HydrophobicContact CB-CG1 4.48Å; W204-I265 HydrophobicContact CE3-CD1 3.97Å; P205-I265 PolarHBondContact O-N 3.45Å; L206-I265 CarbonylContact C-O 3.58Å; L206-I265 WeakPolarHBondContact CA-O 3.32Å; L206-I265 HydrophobicContact CD1-CB 3.65Å; L206-I265 HydrophobicContact CD1-CG2 3.6Å; Y207-I265 PolarHBondContact N-O 2.77Å
266W98.4Very high94.9Very high1 Ų138.5 Ų38.50%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-120100.8176.5-179.65.1000109.3I128 I129 I130 G131 Y207 S209 I250 M253 V254 A257 F264 C268 Q276I128-W266 HydrophobicContact CG2-CE3 4.49Å; I129-W266 PolarHBondContact O-N 3.1Å; I130-W266 CarbonylContact C-O 3.54Å; I130-W266 WeakPolarHBondContact CA-O 3.27Å; I130-W266 HydrophobicContact CD1-CB 4.02Å; I130-W266 HydrophobicContact CD1-CD2 3.76Å; I130-W266 HydrophobicContact CD1-CE3 3.43Å; I130-W266 VanDerWaalsContact CD1-CE3 3.43Å; I130-W266 HydrophobicContact CD1-CG 4.05Å; I130-W266 HydrophobicContact CD1-CZ3 4.13Å; G131-W266 PolarHBondContact N-O 2.81Å; Y207-W266 CarbonylContact O-C 3.57Å; Y207-W266 WeakPolarHBondContact O-CA 3.44Å; S209-W266 VanDerWaalsContact CB-NE1 3.31Å; S209-W266 PolarHBondContact OG-NE1 3.27Å; I250-W266 HydrophobicContact CD1-CZ2 3.75Å; M253-W266 HydrophobicContact CB-CZ2 4.12Å; M253-W266 HydrophobicContact CE-CB 4.26Å; M253-W266 HydrophobicContact CE-CD2 3.84Å; M253-W266 HydrophobicContact CE-CE3 4.18Å; M253-W266 HydrophobicContact CE-CG 3.87Å; M253-W266 HydrophobicContact CG-CD2 3.94Å; M253-W266 HydrophobicContact CG-CG 4.36Å; M253-W266 HydrophobicContact CG-CH2 4.27Å; M253-W266 HydrophobicContact CG-CZ2 3.55Å; V254-W266 HydrophobicContact CB-CH2 4.39Å; V254-W266 HydrophobicContact CG1-CH2 3.68Å; V254-W266 HydrophobicContact CG1-CZ2 4.08Å; A257-W266 HydrophobicContact CB-CE3 4.21Å; A257-W266 HydrophobicContact CB-CH2 4.39Å; A257-W266 HydrophobicContact CB-CZ3 3.71Å; F264-W266 HydrophobicContact CD2-CB 4.06Å; F264-W266 HydrophobicContact CE2-CB 3.87Å; F264-W266 HydrophobicContact CE2-CE3 4.28Å; F264-W266 HydrophobicContact CE2-CG 4.48Å; W266-C268 VanDerWaalsContact CE2-SG 3.56Å; W266-C268 PolarHBondContact NE1-SG 3.46Å; W266-C268 PolarHBondContact O-N 3.3Å; W266-Q276 HydrophobicContact CH2-CB 4.18Å; W266-Q276 HydrophobicContact CH2-CG 3.78Å; W266-Q276 HydrophobicContact CZ2-CG 4.07Å; W266-Q276 HydrophobicContact CZ3-CB 4.36Å; W266-Q276 HydrophobicContact CZ3-CG 4.43Å
267A98.3Very high94.5Very high0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-72.3112.1171.300000109.5G131 F191 L206 Y207 L208 S209 F226G131-A267 WeakPolarHBondContact O-CA 3.48Å; F191-A267 HydrophobicContact CE1-CB 4.38Å; F191-A267 HydrophobicContact CE2-CB 4.12Å; F191-A267 HydrophobicContact CZ-CB 3.63Å; L206-A267 HydrophobicContact CD1-CB 4.07Å; Y207-A267 PolarHBondContact O-N 2.95Å; L208-A267 HydrophobicContact CD1-CB 4.19Å; S209-A267 PolarHBondContact N-O 2.7Å; S209-A267 VanDerWaalsContact N-O 3.16Å; F226-A267 HydrophobicContact CE1-CB 4Å; F226-A267 HydrophobicContact CZ-CB 4.23Å
268C98.5Very high93.8Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-109.6141178.6-650000110.9I130 G131 H133 F191 W266 D272 G273I130-C268 HydrophobicContact CG2-CB 4.35Å; G131-C268 PolarHBondContact O-N 3.14Å; H133-C268 PolarHBondContact N-O 2.84Å; F191-C268 VanDerWaalsContact CZ-O 3.27Å; F191-C268 WeakPolarHBondContact CZ-O 3.44Å; W266-C268 VanDerWaalsContact CE2-SG 3.56Å; W266-C268 PolarHBondContact NE1-SG 3.46Å; W266-C268 PolarHBondContact O-N 3.3Å; C268-D272 HydrophobicContact CB-CB 4.01Å; C268-G273 VanDerWaalsContact CB-N 3.27Å
269K98Very high93.5Very high13 Ų1338.4 Ų38.46%0.05720%0.197CC..  trans-55.7166.3162.2-71.7-179.266.3-1600110.8D137 D219 F222 Y271 D272 G273D137-K269 WeakPolarHBondContact OD2-CE 3.45Å; D219-K269 WeakPolarHBondContact OD1-CE 3.16Å; D219-K269 IonicContact OD1-NZ 3.52Å; D219-K269 PolarHBondContact OD1-NZ 3.27Å; D219-K269 IonicContact OD2-NZ 2.81Å; D219-K269 PolarHBondContact OD2-NZ 2.75Å; F222-K269 HydrophobicContact CD1-CG 4.27Å; F222-K269 HydrophobicContact CE1-CG 4.13Å; F222-K269 HydrophobicContact CZ-CG 4.37Å; K269-Y271 PolarHBondContact O-N 3.44Å; K269-D272 PolarHBondContact O-N 2.83Å; K269-G273 PolarHBondContact O-N 3.3Å
270N92.7Very high93.3Very high3 Ų330 Ų302%0.01616%0.161CC..Hα-helixtrans-56.2-48.8-168.1-163-4.3000112.8R132 A134 H135 G136 D137 Y139 D274R132-N270 PolarHBondContact NE-O 3.16Å; R132-N270 PolarHBondContact NE-OD1 3.35Å; R132-N270 PolarHBondContact NH2-OD1 2.77Å; A134-N270 WeakPolarHBondContact CA-OD1 3.25Å; H135-N270 PolarHBondContact N-ND2 3.36Å; H135-N270 PolarHBondContact O-ND2 3.28Å; G136-N270 PolarHBondContact O-ND2 3.47Å; D137-N270 HydrophobicContact CB-CB 4.24Å; Y139-N270 HydrophobicContact CD2-CB 3.88Å; Y139-N270 WeakPolarHBondContact CD2-ND2 3.43Å; Y139-N270 HydrophobicContact CE2-CB 4.04Å; N270-D274 PolarHBondContact O-N 3.4Å
271Y92.9Very high92.7Very high118 Ų11828.9 Ų28.946%0.46315%0.153SC..Hα-helixtrans-69.3-47.3178.9-178.6-102000113.1K269 G273 D274 V275K269-Y271 PolarHBondContact O-N 3.44Å; Y271-G273 PolarHBondContact O-N 2.81Å; Y271-D274 WeakPolarHBondContact O-CB 3.39Å; Y271-D274 PolarHBondContact O-N 2.85Å; Y271-D274 VanDerWaalsContact O-N 3.14Å; Y271-V275 HydrophobicContact CD1-CG2 4.47Å; Y271-V275 HydrophobicContact CE1-CG2 4.02Å; Y271-V275 HydrophobicContact CE2-CG2 4.13Å; Y271-V275 PolarHBondContact O-N 3.13Å; Y271-V275 VanDerWaalsContact O-N 3.15Å
272D96.1Very high92.1Very high30 Ų3027.4 Ų27.416%0.1615%0.146CC..Hα-helixtrans-59.3-40.1179.3-61-36.9000110.8I250 C268 K269 D274 V275 Q276I250-D272 HydrophobicContact CD1-CB 4.19Å; C268-D272 HydrophobicContact CB-CB 4.01Å; K269-D272 PolarHBondContact O-N 2.83Å; D272-D274 VanDerWaalsContact C-N 3.32Å; D272-D274 PolarHBondContact O-N 3.09Å; D272-V275 PolarHBondContact O-N 3.14Å; D272-Q276 WeakPolarHBondContact O-CB 3.43Å; D272-Q276 WeakPolarHBondContact O-CG 3.29Å; D272-Q276 PolarHBondContact O-N 3.15Å
273G92.7Very high91.8Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-67.3-33.5179.900000112.7C268 K269 Y271 S277C268-G273 VanDerWaalsContact CB-N 3.27Å; K269-G273 PolarHBondContact O-N 3.3Å; Y271-G273 PolarHBondContact O-N 2.81Å; G273-S277 WeakPolarHBondContact O-CB 3.18Å; G273-S277 PolarHBondContact O-N 2.74Å; G273-S277 VanDerWaalsContact O-N 3.14Å; G273-S277 PolarHBondContact O-OG 2.96Å
274D83.9Confident91.3Very high47 Ų4726.8 Ų26.825%0.25114%0.138SC..Hα-helixtrans-64.3-56.5174.5-150.327.7000110.4R132 Y139 N270 Y271 D272 S277 D278R132-D274 IonicContact CZ-OD1 3.28Å; R132-D274 IonicContact NH1-OD1 3.74Å; R132-D274 PolarHBondContact NH1-OD1 2.89Å; R132-D274 IonicContact NH1-OD2 3.18Å; R132-D274 IonicContact NH2-OD1 2.81Å; R132-D274 IonicContact NH2-OD2 3.6Å; Y139-D274 WeakPolarHBondContact OH-CB 3.34Å; Y139-D274 PolarHBondContact OH-OD2 2.98Å; N270-D274 PolarHBondContact O-N 3.4Å; Y271-D274 WeakPolarHBondContact O-CB 3.39Å; Y271-D274 PolarHBondContact O-N 2.85Å; Y271-D274 VanDerWaalsContact O-N 3.14Å; D272-D274 VanDerWaalsContact C-N 3.32Å; D272-D274 PolarHBondContact O-N 3.09Å; D274-S277 PolarHBondContact O-OG 2.75Å; D274-S277 VanDerWaalsContact O-OG 3.1Å; D274-D278 PolarHBondContact O-N 2.88Å
275V87.8Confident90.6Very high57 Ų5726.6 Ų26.635%0.34514%0.138SC..Hα-helixtrans-66.1-45.9-176.5179.40000112.3Y271 D272 S279Y271-V275 HydrophobicContact CD1-CG2 4.47Å; Y271-V275 HydrophobicContact CE1-CG2 4.02Å; Y271-V275 HydrophobicContact CE2-CG2 4.13Å; Y271-V275 PolarHBondContact O-N 3.13Å; Y271-V275 VanDerWaalsContact O-N 3.15Å; D272-V275 PolarHBondContact O-N 3.14Å; V275-S279 PolarHBondContact O-N 2.98Å; V275-S279 PolarHBondContact O-OG 2.88Å
276Q93.2Very high89.9Confident40 Ų4027.3 Ų27.319%0.18714%0.143CC..Hα-helixtrans-74.2-31.9-174.7-63.4-53.2-43.700112I130 W266 D272 S279 V280I130-Q276 HydrophobicContact CD1-CB 4.26Å; W266-Q276 HydrophobicContact CH2-CB 4.18Å; W266-Q276 HydrophobicContact CH2-CG 3.78Å; W266-Q276 HydrophobicContact CZ2-CG 4.07Å; W266-Q276 HydrophobicContact CZ3-CB 4.36Å; W266-Q276 HydrophobicContact CZ3-CG 4.43Å; D272-Q276 WeakPolarHBondContact O-CB 3.43Å; D272-Q276 WeakPolarHBondContact O-CG 3.29Å; D272-Q276 PolarHBondContact O-N 3.15Å; Q276-S279 PolarHBondContact O-N 2.83Å; Q276-V280 WeakPolarHBondContact O-CB 3.49Å; Q276-V280 VanDerWaalsContact O-CG2 3.24Å; Q276-V280 WeakPolarHBondContact O-CG2 3.3Å; Q276-V280 PolarHBondContact O-N 3Å
277S88.6Confident89Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-65.4-40.6176.964.20000112.6R109 G273 D274 V280 A281 M290R109-S277 WeakPolarHBondContact CD-OG 3.28Å; R109-S277 PolarHBondContact NH1-OG 2.58Å; G273-S277 WeakPolarHBondContact O-CB 3.18Å; G273-S277 PolarHBondContact O-N 2.74Å; G273-S277 VanDerWaalsContact O-N 3.14Å; G273-S277 PolarHBondContact O-OG 2.96Å; D274-S277 PolarHBondContact O-OG 2.75Å; D274-S277 VanDerWaalsContact O-OG 3.1Å; S277-V280 PolarHBondContact O-N 3Å; S277-A281 WeakPolarHBondContact O-CB 3.22Å; S277-A281 PolarHBondContact O-N 3.39Å; S277-M290 WeakPolarHBondContact O-CE 3.34Å
278D81.6Confident88.3Confident75 Ų7530.8 Ų30.840%0.40116%0.162SC..Hα-helixtrans-65.9-41175.1-72.51.3000111.4R109 D274 V280 A281 Q282R109-D278 IonicContact NH1-OD1 3.62Å; R109-D278 PolarHBondContact NH1-OD1 2.95Å; R109-D278 VanDerWaalsContact NH1-OD1 3.09Å; D274-D278 PolarHBondContact O-N 2.88Å; D278-V280 PolarHBondContact O-N 3.49Å; D278-A281 PolarHBondContact O-N 2.85Å; D278-Q282 WeakPolarHBondContact O-CB 3.43Å; D278-Q282 PolarHBondContact O-N 2.76Å
279S88.6Confident87.8Confident64 Ų6430.9 Ų30.945%0.44816%0.163SC..Hα-helixtrans-61.3-43.9175.4-600000111.9V275 Q276 G283V275-S279 PolarHBondContact O-N 2.98Å; V275-S279 PolarHBondContact O-OG 2.88Å; Q276-S279 PolarHBondContact O-N 2.83Å; S279-G283 PolarHBondContact O-N 3.23Å
280V90.1Very high87.4Confident4 Ų430.3 Ų30.32%0.02416%0.16CC..Hα-helixtrans-65.2-48.3176.7167.70000110.7W124 I128 I130 Q276 S277 D278 Q282 G283 Y284W124-V280 HydrophobicContact CH2-CG2 4.16Å; I128-V280 HydrophobicContact CB-CG1 4.14Å; I128-V280 HydrophobicContact CG2-CG2 4.49Å; I130-V280 HydrophobicContact CD1-CG2 4.21Å; I130-V280 HydrophobicContact CG1-CG2 4.27Å; Q276-V280 WeakPolarHBondContact O-CB 3.49Å; Q276-V280 VanDerWaalsContact O-CG2 3.24Å; Q276-V280 WeakPolarHBondContact O-CG2 3.3Å; Q276-V280 PolarHBondContact O-N 3Å; S277-V280 PolarHBondContact O-N 3Å; D278-V280 PolarHBondContact O-N 3.49Å; V280-Q282 VanDerWaalsContact C-N 3.32Å; V280-Q282 PolarHBondContact O-N 2.81Å; V280-G283 WeakPolarHBondContact O-CA 3.32Å; V280-G283 PolarHBondContact O-N 2.91Å; V280-G283 VanDerWaalsContact O-N 3.09Å; V280-Y284 HydrophobicContact CG1-CD2 3.83Å; V280-Y284 HydrophobicContact CG1-CE2 3.74Å; V280-Y284 VanDerWaalsContact O-CD2 3.23Å; V280-Y284 WeakPolarHBondContact O-CD2 3.46Å; V280-Y284 PolarHBondContact O-N 3.09Å; V280-Y284 VanDerWaalsContact O-N 3.09Å
281A83.9Confident87.4Confident1 Ų130.3 Ų30.31%0.00816%0.16CC..Hα-helixtrans-55.9-47.217700000112.2S277 D278 G283 Y284 G285 L287 M290S277-A281 WeakPolarHBondContact O-CB 3.22Å; S277-A281 PolarHBondContact O-N 3.39Å; D278-A281 PolarHBondContact O-N 2.85Å; A281-G283 VanDerWaalsContact C-N 3.27Å; A281-G283 PolarHBondContact O-N 2.75Å; A281-Y284 CarbonylContact O-C 3.59Å; A281-Y284 PolarHBondContact O-N 2.88Å; A281-Y284 VanDerWaalsContact O-N 3.12Å; A281-G285 PolarHBondContact O-N 3.09Å; A281-L287 HydrophobicContact CB-CD2 3.84Å; A281-M290 HydrophobicContact CB-CB 4.17Å; A281-M290 HydrophobicContact CB-CE 3.26Å; A281-M290 HydrophobicContact CB-CG 4.46Å; A281-M290 HydrophobicContact CB-SD 3.47Å; A281-M290 WeakPolarHBondContact CB-SD 3.32Å
282Q82.3Confident87.4Confident92 Ų9224.7 Ų24.743%0.4314%0.138SC..Hα-helixtrans-64.3-36179.3-170.355.171.200111.4L120 D278 V280 Y284 G285L120-Q282 HydrophobicContact CD1-CG 3.96Å; L120-Q282 VanDerWaalsContact CD1-O 3.32Å; L120-Q282 WeakPolarHBondContact CD1-O 3.33Å; D278-Q282 WeakPolarHBondContact O-CB 3.43Å; D278-Q282 PolarHBondContact O-N 2.76Å; V280-Q282 VanDerWaalsContact C-N 3.32Å; V280-Q282 PolarHBondContact O-N 2.81Å; Q282-Y284 VanDerWaalsContact C-N 3.26Å; Q282-Y284 PolarHBondContact O-N 2.65Å; Q282-G285 PolarHBondContact NE2-O 3.04Å; Q282-G285 PolarHBondContact O-N 2.79Å; Q282-G285 VanDerWaalsContact O-N 3.11Å
283G87.6Confident87.3Confident4 Ų424.3 Ų24.34%0.04114%0.137CC..Hα-helixtrans-63.1-29.2174.200000114R119 L120 S279 V280 A281R119-G283 CarbonylContact C-O 3.52Å; R119-G283 WeakPolarHBondContact CA-O 3.22Å; R119-G283 WeakPolarHBondContact CB-O 3.34Å; L120-G283 PolarHBondContact N-O 3.18Å; S279-G283 PolarHBondContact O-N 3.23Å; V280-G283 WeakPolarHBondContact O-CA 3.32Å; V280-G283 PolarHBondContact O-N 2.91Å; V280-G283 VanDerWaalsContact O-N 3.09Å; A281-G283 VanDerWaalsContact C-N 3.27Å; A281-G283 PolarHBondContact O-N 2.75Å
284Y86.6Confident87.3Confident7 Ų724.4 Ų24.43%0.02714%0.137CC..THydrogen-bonded Turntrans-88.6-0173.2-74.5-76000114.9A111 I113 R119 W124 K126 I128 V280 A281 Q282A111-Y284 HydrophobicContact CB-CD1 4.13Å; A111-Y284 HydrophobicContact CB-CD2 3.35Å; A111-Y284 HydrophobicContact CB-CE2 4.02Å; A111-Y284 HydrophobicContact CB-CG 3.44Å; A111-Y284 VanDerWaalsContact CB-CG 3.44Å; I113-Y284 HydrophobicContact CD1-CD1 4.19Å; I113-Y284 HydrophobicContact CD1-CE1 3.87Å; I113-Y284 HydrophobicContact CG1-CD1 4.08Å; I113-Y284 HydrophobicContact CG1-CE1 4.28Å; R119-Y284 HydrophobicContact CG-CD1 4.14Å; W124-Y284 HydrophobicContact CB-CE1 3.88Å; W124-Y284 WeakPolarHBondContact CB-OH 3.12Å; W124-Y284 HydrophobicContact CD2-CE2 4.22Å; W124-Y284 AromaticContact CE3-CD2 3.9Å; W124-Y284 HydrophobicContact CE3-CD2 3.9Å; W124-Y284 HydrophobicContact CE3-CE1 4.33Å; W124-Y284 AromaticContact CE3-CE2 3.47Å; W124-Y284 HydrophobicContact CE3-CE2 3.47Å; W124-Y284 VanDerWaalsContact CE3-CE2 3.47Å; W124-Y284 HydrophobicContact CE3-CG 4.45Å; W124-Y284 AromaticContact CE3-CZ 3.7Å; W124-Y284 HydrophobicContact CZ3-CD2 4.13Å; W124-Y284 AromaticContact CZ3-CE2 3.91Å; W124-Y284 HydrophobicContact CZ3-CE2 3.91Å; K126-Y284 PolarHBondContact O-OH 2.98Å; I128-Y284 HydrophobicContact CB-CE2 4.41Å; I128-Y284 PolarHBondContact N-OH 2.79Å; V280-Y284 HydrophobicContact CG1-CD2 3.83Å; V280-Y284 HydrophobicContact CG1-CE2 3.74Å; V280-Y284 VanDerWaalsContact O-CD2 3.23Å; V280-Y284 WeakPolarHBondContact O-CD2 3.46Å; V280-Y284 PolarHBondContact O-N 3.09Å; V280-Y284 VanDerWaalsContact O-N 3.09Å; A281-Y284 CarbonylContact O-C 3.59Å; A281-Y284 PolarHBondContact O-N 2.88Å; A281-Y284 VanDerWaalsContact O-N 3.12Å; Q282-Y284 VanDerWaalsContact C-N 3.26Å; Q282-Y284 PolarHBondContact O-N 2.65Å
285G82.7Confident87.7Confident3 Ų323.6 Ų23.63%0.03113%0.133CC..SBendtrans130.8-64.8169.400000113.5A281 Q282 C378A281-G285 PolarHBondContact O-N 3.09Å; Q282-G285 PolarHBondContact NE2-O 3.04Å; Q282-G285 PolarHBondContact O-N 2.79Å; Q282-G285 VanDerWaalsContact O-N 3.11Å; G285-C378 PolarHBondContact O-SG 2.79Å
286S83.3Confident87.8Confident15 Ų1521 Ų2111%0.10512%0.118CC..  trans-145.9147.1-173.9173.50000111.4G288 M289 D374S286-G288 PolarHBondContact O-N 3.33Å; S286-G288 PolarHBondContact OG-N 3.32Å; S286-M289 WeakPolarHBondContact O-CB 3.45Å; S286-M289 PolarHBondContact O-N 2.84Å; S286-D374 WeakPolarHBondContact CB-OD2 3.42Å; S286-D374 PolarHBondContact OG-OD2 2.9Å
287L79.5Confident87.2Confident68 Ų6821.1 Ų21.136%0.35612%0.121SC..G310 helixtrans-57-26.7170.6-71.2174.2000112.7A281 M289 H308A281-L287 HydrophobicContact CB-CD2 3.84Å; L287-M289 PolarHBondContact O-N 3.04Å; L287-H308 HydrophobicContact CB-CB 4.46Å
288G82.9Confident87.1Confident5 Ų525.3 Ų25.35%0.05214%0.144CC..G310 helixtrans-69.5-8.3174.200000114.2S286 A330S286-G288 PolarHBondContact O-N 3.33Å; S286-G288 PolarHBondContact OG-N 3.32Å; G288-A330 WeakPolarHBondContact O-CB 3.26Å; G288-A330 PolarHBondContact O-N 2.91Å; G288-A330 VanDerWaalsContact O-N 3.11Å
289M89.1Confident87.2Confident3 Ų323.4 Ų23.42%0.01514%0.142CC..G310 helixtrans-109.438.6-179.8-58.4-58.8-69.200111.1A111 I112 C114 S286 L287 I329 I366 L375A111-M289 CarbonylContact C-O 3.59Å; A111-M289 WeakPolarHBondContact CA-O 3.38Å; I112-M289 HydrophobicContact CB-CB 4.33Å; I112-M289 HydrophobicContact CB-CE 3.99Å; I112-M289 HydrophobicContact CG2-CE 3.72Å; I112-M289 PolarHBondContact N-O 3Å; C114-M289 WeakPolarHBondContact SG-CE 3.4Å; S286-M289 WeakPolarHBondContact O-CB 3.45Å; S286-M289 PolarHBondContact O-N 2.84Å; L287-M289 PolarHBondContact O-N 3.04Å; M289-I329 HydrophobicContact CE-CG2 4.41Å; M289-I329 HydrophobicContact SD-CB 4.17Å; M289-I329 HydrophobicContact SD-CG1 4.38Å; M289-I329 HydrophobicContact SD-CG2 4.02Å; M289-I366 HydrophobicContact CE-CD1 3.94Å; M289-I366 HydrophobicContact SD-CD1 4.22Å; M289-L375 HydrophobicContact CG-CD2 3.66Å; M289-L375 HydrophobicContact SD-CD1 4.07Å; M289-L375 HydrophobicContact SD-CD2 4.04Å
290M89.8Confident87.4Confident1 Ų126.6 Ų26.61%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-139.8129.6176.9-170.6155.670.300111.6R109 E110 S277 A281 A307 A330R109-M290 HydrophobicContact CB-CE 4.28Å; R109-M290 HydrophobicContact CB-CG 4.17Å; R109-M290 HydrophobicContact CB-SD 3.86Å; R109-M290 HydrophobicContact CG-CE 4.4Å; E110-M290 WeakPolarHBondContact O-CA 3.43Å; E110-M290 WeakPolarHBondContact O-CG 3.39Å; S277-M290 WeakPolarHBondContact O-CE 3.34Å; A281-M290 HydrophobicContact CB-CB 4.17Å; A281-M290 HydrophobicContact CB-CE 3.26Å; A281-M290 HydrophobicContact CB-CG 4.46Å; A281-M290 HydrophobicContact CB-SD 3.47Å; A281-M290 WeakPolarHBondContact CB-SD 3.32Å; M290-A307 HydrophobicContact CB-CB 4.04Å; M290-A307 HydrophobicContact CE-CB 3.69Å; M290-A307 HydrophobicContact CG-CB 4.05Å; M290-A330 WeakPolarHBondContact O-CB 3.44Å
291T91.8Very high87.6Confident3 Ų326.6 Ų26.62%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-85.5152.617266.40000110.3R109 E110 I112 F333R109-T291 VanDerWaalsContact CA-O 3.23Å; R109-T291 WeakPolarHBondContact CA-O 3.29Å; E110-T291 PolarHBondContact N-O 3.38Å; E110-T291 PolarHBondContact O-N 3.09Å; E110-T291 PolarHBondContact O-OG1 3.48Å; I112-T291 HydrophobicContact CD1-CG2 3.83Å; I112-T291 HydrophobicContact CG1-CG2 3.88Å; T291-F333 HydrophobicContact CG2-CB 3.58Å; T291-F333 HydrophobicContact CG2-CD1 3.61Å; T291-F333 HydrophobicContact CG2-CG 3.97Å
292S92.4Very high88.2Confident0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-132.8119.5171.8-176.30000109V107 F108 E305V107-S292 VanDerWaalsContact CG1-OG 3.22Å; V107-S292 WeakPolarHBondContact CG1-OG 3.33Å; F108-S292 WeakPolarHBondContact O-CA 3.27Å; S292-E305 WeakPolarHBondContact CB-O 3.46Å; S292-E305 PolarHBondContact N-O 3.41Å; S292-E305 PolarHBondContact O-N 2.89Å
293V94.8Very high88.9Confident22 Ų2222.5 Ų22.513%0.13313%0.125CC..EExtended strand (participates in β ladder)trans-129.5116.3-179.6-174.30000109.5F108 I295 V302 E303 A304 R337F108-V293 PolarHBondContact N-O 3.33Å; F108-V293 PolarHBondContact O-N 2.86Å; V293-I295 HydrophobicContact CG1-CG1 4.03Å; V293-V302 HydrophobicContact CG1-CB 4.25Å; V293-E303 CarbonylContact C-O 3.58Å; V293-E303 WeakPolarHBondContact CA-O 3.43Å; V293-A304 HydrophobicContact CG2-CB 4.26Å; V293-R337 HydrophobicContact CG2-CB 4.09Å; V293-R337 HydrophobicContact CG2-CG 4.25Å
294L93.3Very high89.4Confident1 Ų122.3 Ų22.31%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-74125.2165.5-179.969.9000109.1R100 L103 T106 V107 V302 E303R100-L294 HydrophobicContact CG-CD1 4.23Å; R100-L294 HydrophobicContact CG-CD2 4.04Å; L103-L294 HydrophobicContact CB-CD2 4.04Å; L103-L294 HydrophobicContact CD1-CD2 3.91Å; T106-L294 WeakPolarHBondContact O-CA 3.28Å; V107-L294 HydrophobicContact CG2-CB 4.43Å; V107-L294 HydrophobicContact CG2-CD1 3.81Å; L294-V302 VanDerWaalsContact O-CA 3.22Å; L294-V302 WeakPolarHBondContact O-CA 3.21Å; L294-E303 HydrophobicContact CB-CB 4.14Å; L294-E303 HydrophobicContact CD2-CB 4.3Å; L294-E303 PolarHBondContact N-O 3.48Å; L294-E303 PolarHBondContact O-N 2.86Å
295I91.8Very high89.8Confident30 Ų3022.4 Ų22.415%0.15412%0.124CC..EExtended strand (participates in β ladder)trans-116.6121173.8-58.3-179.4000108.7G105 T106 F108 S194 M198 V293 V302G105-I295 CarbonylContact C-O 3.49Å; G105-I295 WeakPolarHBondContact CA-O 3.32Å; T106-I295 PolarHBondContact N-O 3.05Å; T106-I295 PolarHBondContact O-N 3.18Å; F108-I295 HydrophobicContact CD2-CB 4.18Å; F108-I295 HydrophobicContact CD2-CD1 3.71Å; F108-I295 HydrophobicContact CD2-CG1 3.94Å; F108-I295 HydrophobicContact CE2-CB 4.07Å; F108-I295 HydrophobicContact CE2-CD1 4.04Å; F108-I295 HydrophobicContact CE2-CG1 4.3Å; S194-I295 PolarHBondContact OG-O 3.39Å; M198-I295 HydrophobicContact CE-CD1 3.27Å; V293-I295 HydrophobicContact CG1-CG1 4.03Å; I295-V302 HydrophobicContact CG1-CG1 4.28Å
296C90.3Very high90.1Very high4 Ų422.6 Ų22.63%0.02713%0.125CC..  trans-75.8152.9177.9-60.30000110.8D298 G299 T301C296-D298 WeakPolarHBondContact CB-OD1 3.45Å; C296-D298 PolarHBondContact O-N 2.78Å; C296-D298 VanDerWaalsContact O-N 3.15Å; C296-G299 PolarHBondContact O-N 3.08Å; C296-G299 VanDerWaalsContact O-N 3.12Å; C296-T301 HydrophobicContact CB-CG2 4.42Å; C296-T301 WeakPolarHBondContact CB-O 3.44Å; C296-T301 PolarHBondContact N-O 3.27Å; C296-T301 PolarHBondContact SG-O 3.11Å; C296-T301 VanDerWaalsContact SG-O 3.36Å
297P80.9Confident90.2Very high41 Ų4122.4 Ų22.427%0.26613%0.125SC..THydrogen-bonded Turntrans-66.3-16.2-177.227.8-36.3000113.7D190 G299D190-P297 HydrophobicContact CB-CB 3.88Å; D190-P297 HydrophobicContact CB-CG 4.04Å; P297-G299 PolarHBondContact O-N 3.21Å; P297-G299 VanDerWaalsContact O-N 3.17Å
298D86.9Confident90.6Very high89 Ų8920.5 Ų20.548%0.47611%0.114SC..THydrogen-bonded Turntrans-66-9173.369.10.4000113.5C296 R300 T301C296-D298 WeakPolarHBondContact CB-OD1 3.45Å; C296-D298 PolarHBondContact O-N 2.78Å; C296-D298 VanDerWaalsContact O-N 3.15Å; D298-R300 PolarHBondContact O-N 3.31Å; D298-R300 VanDerWaalsContact O-N 3.16Å; D298-R300 PolarHBondContact OD1-N 3.36Å; D298-T301 PolarHBondContact OD1-N 3.16Å; D298-T301 WeakPolarHBondContact OD2-CB 3.26Å; D298-T301 PolarHBondContact OD2-N 3.4Å; D298-T301 PolarHBondContact OD2-OG1 2.85Å
299G83Confident90.9Very high35 Ų3522.5 Ų22.536%0.36114%0.135SC..SBendtrans66.89.6-177.700000113.8C296 P297C296-G299 PolarHBondContact O-N 3.08Å; C296-G299 VanDerWaalsContact O-N 3.12Å; P297-G299 PolarHBondContact O-N 3.21Å; P297-G299 VanDerWaalsContact O-N 3.17Å
300R91.9Very high91.2Very high131 Ų13122.9 Ų22.949%0.49414%0.137SC..SBendtrans-127.2-37.8-170.3-170.7-176.6168.7171.4-5112.9N68 D298 H341 L345N68-R300 HydrophobicContact CB-CG 4.26Å; N68-R300 PolarHBondContact ND2-NE 3.36Å; N68-R300 PolarHBondContact ND2-NH2 3.16Å; N68-R300 VanDerWaalsContact OD1-CD 3.29Å; N68-R300 WeakPolarHBondContact OD1-CD 3.5Å; N68-R300 WeakPolarHBondContact OD1-CG 3.33Å; N68-R300 PolarHBondContact OD1-NE 3.25Å; N68-R300 VanDerWaalsContact OD1-NE 3.11Å; D298-R300 PolarHBondContact O-N 3.31Å; D298-R300 VanDerWaalsContact O-N 3.16Å; D298-R300 PolarHBondContact OD1-N 3.36Å; R300-H341 PolarHBondContact O-NE2 3.32Å; R300-L345 HydrophobicContact CG-CD2 3.78Å
301T95.6Very high91.4Very high3 Ų324.9 Ų24.92%0.01815%0.15CC..  trans-91.6129.5-177-58.10000110.6V64 N68 L103 C296 D298V64-T301 HydrophobicContact CG1-CG2 3.87Å; N68-T301 WeakPolarHBondContact O-CA 3.43Å; N68-T301 PolarHBondContact OD1-OG1 3.13Å; L103-T301 HydrophobicContact CD2-CG2 4.28Å; C296-T301 HydrophobicContact CB-CG2 4.42Å; C296-T301 WeakPolarHBondContact CB-O 3.44Å; C296-T301 PolarHBondContact N-O 3.27Å; C296-T301 PolarHBondContact SG-O 3.11Å; C296-T301 VanDerWaalsContact SG-O 3.36Å; D298-T301 PolarHBondContact OD1-N 3.16Å; D298-T301 WeakPolarHBondContact OD2-CB 3.26Å; D298-T301 PolarHBondContact OD2-N 3.4Å; D298-T301 PolarHBondContact OD2-OG1 2.85Å
302V95.6Very high91.5Very high6 Ų626.8 Ų26.84%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-132.6149.5176.5-55.20000112.1N68 V69 G70 V293 L294 I295 H341N68-V302 PolarHBondContact O-N 3.41Å; V69-V302 HydrophobicContact CG1-CG2 4.47Å; G70-V302 PolarHBondContact N-O 3.43Å; V293-V302 HydrophobicContact CG1-CB 4.25Å; L294-V302 VanDerWaalsContact O-CA 3.22Å; L294-V302 WeakPolarHBondContact O-CA 3.21Å; I295-V302 HydrophobicContact CG1-CG1 4.28Å; V302-H341 HydrophobicContact CG2-CB 3.82Å; V302-H341 WeakPolarHBondContact CG2-CD2 3.43Å
303E97.4Very high91.7Very high2 Ų234.2 Ų34.21%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-128.1125.2166.9178.8-81137.200108.6M13 G70 K72 L103 V293 L294 E305M13-E303 HydrophobicContact CE-CG 3.88Å; G70-E303 CarbonylContact O-C 3.58Å; G70-E303 WeakPolarHBondContact O-CA 3.5Å; K72-E303 WeakPolarHBondContact CB-OE1 3.28Å; L103-E303 HydrophobicContact CD1-CB 4.24Å; V293-E303 CarbonylContact C-O 3.58Å; V293-E303 WeakPolarHBondContact CA-O 3.43Å; L294-E303 HydrophobicContact CB-CB 4.14Å; L294-E303 HydrophobicContact CD2-CB 4.3Å; L294-E303 PolarHBondContact N-O 3.48Å; L294-E303 PolarHBondContact O-N 2.86Å; E303-E305 WeakPolarHBondContact OE1-CB 3.2Å
304A97.1Very high91.8Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-112.2127.9-178.200000110.9G70 I71 K72 V293 A334 R337G70-A304 PolarHBondContact O-N 3.03Å; I71-A304 WeakPolarHBondContact CA-O 3.43Å; K72-A304 PolarHBondContact N-O 2.93Å; V293-A304 HydrophobicContact CG2-CB 4.26Å; A304-A334 WeakPolarHBondContact CB-O 3.46Å; A304-R337 HydrophobicContact CB-CB 4.11Å
305E94.8Very high92Very high8 Ų837.1 Ų37.14%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-136164.6177.461.8-179.9166.800111.5K72 N96 R100 S292 E303K72-E305 HydrophobicContact CB-CB 4.23Å; K72-E305 IonicContact NZ-OE2 3.95Å; N96-E305 PolarHBondContact ND2-OE1 3.22Å; N96-E305 PolarHBondContact ND2-OE2 2.65Å; N96-E305 PolarHBondContact OD1-OE2 3.24Å; R100-E305 IonicContact CZ-OE1 3.65Å; R100-E305 IonicContact NH2-OE1 3.39Å; R100-E305 PolarHBondContact NH2-OE1 2.73Å; S292-E305 WeakPolarHBondContact CB-O 3.46Å; S292-E305 PolarHBondContact N-O 3.41Å; S292-E305 PolarHBondContact O-N 2.89Å; E303-E305 WeakPolarHBondContact OE1-CB 3.2Å
306A90Very high92.3Very high7 Ų739 Ų396%0.05820%0.204CC..EExtended strand (participates in β ladder)trans-70.9146.1163.600000109.8H308 A330A306-H308 PolarHBondContact O-N 2.83Å; A306-A330 HydrophobicContact CB-CB 3.74Å
307A85.9Confident92.6Very high12 Ų1241.7 Ų41.710%0.09922%0.217CC..SBendtrans-70.4-20.7178.700000113.7R109 M290R109-A307 PolarHBondContact NH2-O 3.41Å; R109-A307 VanDerWaalsContact NH2-O 3.13Å; M290-A307 HydrophobicContact CB-CB 4.04Å; M290-A307 HydrophobicContact CE-CB 3.69Å; M290-A307 HydrophobicContact CG-CB 4.05Å
308H87.3Confident93.4Very high27 Ų2742.7 Ų42.713%0.12522%0.217CC..SBendtrans-91.1163.3-177.263.867.1000113.1L287 A306L287-H308 HydrophobicContact CB-CB 4.46Å; A306-H308 PolarHBondContact O-N 2.83Å
309G89.8Confident93.9Very high48 Ų4843.5 Ų43.550%0.49522%0.218SC..  trans-77.1-161.2173.800000114.2V311G309-V311 VanDerWaalsContact C-N 3.25Å; G309-V311 PolarHBondContact O-N 3.2Å
310T94.4Very high94.6Very high11 Ų1147.6 Ų47.67%0.06723%0.228CC..  trans-78.1-2.2-171.256.60000115.3D16 E17 M18 T19 A74 T75 I76 T312D16-T310 HydrophobicContact CB-CG2 4.03Å; E17-T310 WeakPolarHBondContact OE2-CB 3.47Å; E17-T310 PolarHBondContact OE2-OG1 3.4Å; M18-T310 PolarHBondContact N-O 3.46Å; T19-T310 WeakPolarHBondContact OG1-CA 3.37Å; A74-T310 HydrophobicContact CB-CG2 3.97Å; T75-T310 VanDerWaalsContact C-CG2 3.47Å; I76-T310 HydrophobicContact CG1-CG2 4.1Å; T310-T312 PolarHBondContact O-N 2.79Å; T310-T312 PolarHBondContact OG1-OG1 3.45Å
311V94.6Very high94.8Very high43 Ų4344.9 Ų44.926%0.26124%0.24SC..  trans56.347.2179.3-156.40000112.8M18 T19 G309 R313 H314 Y315 T326M18-V311 HydrophobicContact CB-CB 4.22Å; T19-V311 HydrophobicContact CG2-CG2 4.36Å; G309-V311 VanDerWaalsContact C-N 3.25Å; G309-V311 PolarHBondContact O-N 3.2Å; V311-R313 PolarHBondContact O-N 3.38Å; V311-H314 HydrophobicContact CG1-CB 3.84Å; V311-H314 PolarHBondContact O-N 2.7Å; V311-Y315 PolarHBondContact O-N 3.16Å; V311-Y315 VanDerWaalsContact O-N 3.13Å; V311-T326 HydrophobicContact CB-CG2 4.26Å; V311-T326 HydrophobicContact CG1-CG2 4.1Å; V311-T326 HydrophobicContact CG2-CG2 4Å
312T94.8Very high94.9Very high42 Ų4250.4 Ų50.426%0.25826%0.264SS..Hα-helixtrans-46.4-42.2-176.9-50.40000114E17 R82 T310 H314 Y315 R316E17-T312 WeakPolarHBondContact OE1-CG2 3.29Å; E17-T312 PolarHBondContact OE1-OG1 3.01Å; E17-T312 VanDerWaalsContact OE2-CA 3.26Å; E17-T312 WeakPolarHBondContact OE2-CA 3.23Å; E17-T312 VanDerWaalsContact OE2-CB 3.32Å; E17-T312 WeakPolarHBondContact OE2-CB 3.46Å; E17-T312 PolarHBondContact OE2-OG1 3.03Å; R82-T312 PolarHBondContact NH2-OG1 3.29Å; T310-T312 PolarHBondContact O-N 2.79Å; T310-T312 PolarHBondContact OG1-OG1 3.45Å; T312-H314 VanDerWaalsContact C-N 3.3Å; T312-H314 PolarHBondContact O-N 3.37Å; T312-Y315 WeakPolarHBondContact O-CB 3.41Å; T312-Y315 PolarHBondContact O-N 3.08Å; T312-Y315 VanDerWaalsContact O-N 3.09Å; T312-R316 HydrophobicContact CG2-CG 4.39Å; T312-R316 WeakPolarHBondContact O-CG 3.24Å; T312-R316 PolarHBondContact O-N 3.49Å
313R95.3Very high94.8Very high156 Ų15654.3 Ų54.359%0.58928%0.282SS*.Hα-helixtrans-58.2-42.6-179.7-172.6-179.664.969.8-1.1112V311 Q317V311-R313 PolarHBondContact O-N 3.38Å; R313-Q317 PolarHBondContact O-N 3.1Å
314H97.1Very high94.8Very high25 Ų2554.4 Ų54.412%0.11628%0.283CS..Hα-helixtrans-72.2-37.9176.6-72.2-164.5000110.5M18 V311 T312 R316 Q317 H318 T324 S325 T326M18-H314 HydrophobicContact CG-CB 4.15Å; M18-H314 HydrophobicContact SD-CB 4.4Å; V311-H314 HydrophobicContact CG1-CB 3.84Å; V311-H314 PolarHBondContact O-N 2.7Å; T312-H314 VanDerWaalsContact C-N 3.3Å; T312-H314 PolarHBondContact O-N 3.37Å; H314-R316 VanDerWaalsContact C-N 3.33Å; H314-R316 PolarHBondContact O-N 2.9Å; H314-Q317 WeakPolarHBondContact O-CB 3.33Å; H314-Q317 PolarHBondContact O-N 3.37Å; H314-H318 PolarHBondContact O-N 3.39Å; H314-T324 HydrophobicContact CB-CG2 4.14Å; H314-T324 VanDerWaalsContact O-CG2 3.3Å; H314-T324 WeakPolarHBondContact O-CG2 3.03Å; H314-S325 PolarHBondContact CE1-O 3.2Å; H314-T326 WeakPolarHBondContact CB-OG1 3.29Å; H314-T326 PolarHBondContact ND1-OG1 2.86Å
315Y97.9Very high94.9Very high59 Ų5954.9 Ų54.923%0.23129%0.286CS..Hα-helixtrans-58.5-42.3175.3-170.3-118.5000112.8E17 M18 V21 V311 T312 Q317 H318 Q319E17-Y315 HydrophobicContact CB-CD1 3.61Å; E17-Y315 HydrophobicContact CB-CD2 3.94Å; E17-Y315 HydrophobicContact CB-CE1 4.14Å; E17-Y315 HydrophobicContact CB-CE2 4.43Å; E17-Y315 HydrophobicContact CB-CG 3.49Å; E17-Y315 VanDerWaalsContact CB-CG 3.49Å; E17-Y315 HydrophobicContact CG-CD1 3.64Å; E17-Y315 HydrophobicContact CG-CE1 4.02Å; E17-Y315 HydrophobicContact CG-CG 4.08Å; M18-Y315 HydrophobicContact CB-CD2 4.47Å; M18-Y315 VanDerWaalsContact N-CD2 3.33Å; V21-Y315 HydrophobicContact CG2-CE2 4.4Å; V311-Y315 PolarHBondContact O-N 3.16Å; V311-Y315 VanDerWaalsContact O-N 3.13Å; T312-Y315 WeakPolarHBondContact O-CB 3.41Å; T312-Y315 PolarHBondContact O-N 3.08Å; T312-Y315 VanDerWaalsContact O-N 3.09Å; Y315-Q317 VanDerWaalsContact C-N 3.28Å; Y315-Q317 PolarHBondContact O-N 3.49Å; Y315-H318 WeakPolarHBondContact O-CB 3.5Å; Y315-H318 PolarHBondContact O-N 2.83Å; Y315-H318 VanDerWaalsContact O-N 3.15Å; Y315-Q319 HydrophobicContact CD1-CG 4.19Å; Y315-Q319 VanDerWaalsContact CE1-CD 3.47Å; Y315-Q319 HydrophobicContact CE1-CG 3.9Å; Y315-Q319 HydrophobicContact CE2-CG 4.41Å; Y315-Q319 WeakPolarHBondContact O-CG 3.32Å; Y315-Q319 PolarHBondContact O-N 3.1Å
316R97.3Very high95Very high69 Ų6954.7 Ų54.726%0.2629%0.286SS..Hα-helixtrans-61.7-35.3174.9-60.5-44-179.3-166.7-1.3113.1E85 T312 H314 Q320E85-R316 IonicContact OE1-CZ 2.68Å; E85-R316 IonicContact OE1-NH1 3.71Å; E85-R316 PolarHBondContact OE1-NH1 3.25Å; E85-R316 IonicContact OE1-NH2 3.64Å; E85-R316 PolarHBondContact OE1-NH2 3.5Å; E85-R316 IonicContact OE2-NH2 2.75Å; E85-R316 PolarHBondContact OE2-NH2 2.76Å; T312-R316 HydrophobicContact CG2-CG 4.39Å; T312-R316 WeakPolarHBondContact O-CG 3.24Å; T312-R316 PolarHBondContact O-N 3.49Å; H314-R316 VanDerWaalsContact C-N 3.33Å; H314-R316 PolarHBondContact O-N 2.9Å; R316-Q320 VanDerWaalsContact O-CG 3.3Å; R316-Q320 WeakPolarHBondContact O-CG 3.47Å; R316-Q320 PolarHBondContact O-N 3.27Å; R316-Q320 PolarHBondContact O-NE2 3.33Å
317Q97.4Very high95.3Very high62 Ų6254.8 Ų54.829%0.2929%0.285SS..Hα-helixtrans-68.3-44.4174.1-68.8178.5-3.500110.7R313 H314 Y315 Q319 Q320 G321 K322 T324R313-Q317 PolarHBondContact O-N 3.1Å; H314-Q317 WeakPolarHBondContact O-CB 3.33Å; H314-Q317 PolarHBondContact O-N 3.37Å; Y315-Q317 VanDerWaalsContact C-N 3.28Å; Y315-Q317 PolarHBondContact O-N 3.49Å; Q317-Q319 PolarHBondContact O-N 3.3Å; Q317-Q320 CarbonylContact O-C 3.58Å; Q317-Q320 WeakPolarHBondContact O-CA 3.4Å; Q317-Q320 WeakPolarHBondContact O-CB 3.37Å; Q317-Q320 PolarHBondContact O-N 2.88Å; Q317-G321 PolarHBondContact O-N 3.41Å; Q317-K322 HydrophobicContact CB-CB 4.11Å; Q317-K322 WeakPolarHBondContact O-CB 3.49Å; Q317-K322 PolarHBondContact O-N 3.5Å; Q317-T324 HydrophobicContact CB-CG2 3.85Å
318H97.3Very high95.8Very high61 Ų6154.2 Ų54.228%0.28228%0.281SS..Hα-helixtrans-59.4-43.7175.8176.164.3000112.4M18 H314 Y315 Q320 G321 T324M18-H318 HydrophobicContact SD-CB 4.1Å; H314-H318 PolarHBondContact O-N 3.39Å; Y315-H318 WeakPolarHBondContact O-CB 3.5Å; Y315-H318 PolarHBondContact O-N 2.83Å; Y315-H318 VanDerWaalsContact O-N 3.15Å; H318-Q320 PolarHBondContact O-N 3.45Å; H318-Q320 VanDerWaalsContact O-N 3.17Å; H318-G321 PolarHBondContact O-N 3.11Å; H318-T324 HydrophobicContact CB-CG2 4.16Å
319Q96.9Very high96.3Very high107 Ų10753 Ų5350%0.528%0.275SS..Hα-helixtrans-58.9-27.1174.6-72.2-176.8-59.500113Y315 Q317 G321Y315-Q319 HydrophobicContact CD1-CG 4.19Å; Y315-Q319 VanDerWaalsContact CE1-CD 3.47Å; Y315-Q319 HydrophobicContact CE1-CG 3.9Å; Y315-Q319 HydrophobicContact CE2-CG 4.41Å; Y315-Q319 WeakPolarHBondContact O-CG 3.32Å; Y315-Q319 PolarHBondContact O-N 3.1Å; Q317-Q319 PolarHBondContact O-N 3.3Å; Q319-G321 VanDerWaalsContact C-N 3.31Å
320Q97.5Very high96.6Very high121 Ų12150.7 Ų50.757%0.56525%0.251SS*.THydrogen-bonded Turntrans-88.56.1176.1-64.7168.22100112.9R316 Q317 H318 K322R316-Q320 VanDerWaalsContact O-CG 3.3Å; R316-Q320 WeakPolarHBondContact O-CG 3.47Å; R316-Q320 PolarHBondContact O-N 3.27Å; R316-Q320 PolarHBondContact O-NE2 3.33Å; Q317-Q320 CarbonylContact O-C 3.58Å; Q317-Q320 WeakPolarHBondContact O-CA 3.4Å; Q317-Q320 WeakPolarHBondContact O-CB 3.37Å; Q317-Q320 PolarHBondContact O-N 2.88Å; H318-Q320 PolarHBondContact O-N 3.45Å; H318-Q320 VanDerWaalsContact O-N 3.17Å; Q320-K322 HydrophobicContact CB-CD 4.25Å; Q320-K322 HydrophobicContact CB-CG 4.18Å; Q320-K322 PolarHBondContact O-N 3.34Å; Q320-K322 VanDerWaalsContact OE1-CE 3.28Å
321G96.8Very high96.7Very high73 Ų7350.3 Ų50.375%0.75325%0.249SC*.THydrogen-bonded Turntrans69.313.4-174.200000114.2Q317 H318 Q319Q317-G321 PolarHBondContact O-N 3.41Å; H318-G321 PolarHBondContact O-N 3.11Å; Q319-G321 VanDerWaalsContact C-N 3.31Å
322K96.9Very high96.9Very high119 Ų11948.3 Ų48.352%0.51724%0.237SC..  trans-81.1148.1177.8-64.8174.4176.5166.50110.4Q317 Q320Q317-K322 HydrophobicContact CB-CB 4.11Å; Q317-K322 WeakPolarHBondContact O-CB 3.49Å; Q317-K322 PolarHBondContact O-N 3.5Å; Q320-K322 HydrophobicContact CB-CD 4.25Å; Q320-K322 HydrophobicContact CB-CG 4.18Å; Q320-K322 PolarHBondContact O-N 3.34Å; Q320-K322 VanDerWaalsContact OE1-CE 3.28Å
323E95.1Very high97.1Very high89 Ų8946.4 Ų46.442%0.41623%0.225SC..  trans-62.3139.8174.9-174.71796800111.6R387 N392E323-R387 VanDerWaalsContact CD-NE 3.29Å; E323-R387 WeakPolarHBondContact OE1-CD 3.42Å; E323-R387 IonicContact OE1-CZ 2.88Å; E323-R387 IonicContact OE1-NE 3.49Å; E323-R387 PolarHBondContact OE1-NE 2.92Å; E323-R387 IonicContact OE1-NH2 2.81Å; E323-R387 IonicContact OE2-CZ 2.85Å; E323-R387 VanDerWaalsContact OE2-CZ 3.3Å; E323-R387 IonicContact OE2-NE 2.72Å; E323-R387 PolarHBondContact OE2-NE 2.93Å; E323-R387 VanDerWaalsContact OE2-NE 3.11Å; E323-R387 IonicContact OE2-NH2 2.71Å; E323-R387 PolarHBondContact OE2-NH2 3.41Å; E323-N392 HydrophobicContact CG-CB 3.6Å; E323-N392 WeakPolarHBondContact OE2-CB 3.42Å; E323-N392 PolarHBondContact OE2-ND2 3.36Å
324T97.4Very high97.2Very high3 Ų339.1 Ų39.12%0.01820%0.198CC..  trans-129.2147175.360.40000110.7H314 Q317 H318 N392 T393H314-T324 HydrophobicContact CB-CG2 4.14Å; H314-T324 VanDerWaalsContact O-CG2 3.3Å; H314-T324 WeakPolarHBondContact O-CG2 3.03Å; Q317-T324 HydrophobicContact CB-CG2 3.85Å; H318-T324 HydrophobicContact CB-CG2 4.16Å; T324-N392 WeakPolarHBondContact O-CA 3.19Å; T324-N392 WeakPolarHBondContact O-CB 3.26Å; T324-T393 PolarHBondContact O-N 3.33Å; T324-T393 PolarHBondContact O-OG1 3.45Å; T324-T393 PolarHBondContact OG1-OG1 2.9Å
325S97.8Very high97.3Very high10 Ų1037.9 Ų37.97%0.0719%0.192CC..  trans-127.177.1172.9-174.90000108.4H314 T372 K373 L391H314-S325 PolarHBondContact CE1-O 3.2Å; S325-T372 WeakPolarHBondContact OG-CA 3.4Å; S325-T372 WeakPolarHBondContact OG-CB 3.19Å; S325-K373 PolarHBondContact OG-N 2.88Å; S325-L391 PolarHBondContact OG-O 3.15Å
326T97.3Very high97.3Very high5 Ų535.1 Ų35.13%0.03118%0.181CC..  trans-91.6128.9175.6-50.30000108.2M18 I22 V311 H314 P328 T393M18-T326 HydrophobicContact CG-CG2 4.1Å; M18-T326 WeakPolarHBondContact CG-OG1 3.25Å; I22-T326 HydrophobicContact CD1-CG2 3.55Å; V311-T326 HydrophobicContact CB-CG2 4.26Å; V311-T326 HydrophobicContact CG1-CG2 4.1Å; V311-T326 HydrophobicContact CG2-CG2 4Å; H314-T326 WeakPolarHBondContact CB-OG1 3.29Å; H314-T326 PolarHBondContact ND1-OG1 2.86Å; T326-P328 VanDerWaalsContact O-CD 3.3Å; T326-P328 WeakPolarHBondContact O-CD 3.36Å; T326-T393 PolarHBondContact N-OG1 2.99Å
327N96.4Very high97.4Very high9 Ų934.7 Ų34.75%0.04818%0.18CC..  trans-70.2117.9179-169.9-22.4000111I329 T372 D374N327-I329 VanDerWaalsContact OD1-CB 3.23Å; N327-I329 WeakPolarHBondContact OD1-CB 3.24Å; N327-I329 WeakPolarHBondContact OD1-CG1 3.29Å; N327-I329 PolarHBondContact OD1-N 3.49Å; N327-T372 WeakPolarHBondContact CB-OG1 3.33Å; N327-D374 WeakPolarHBondContact CB-OD2 3.38Å; N327-D374 PolarHBondContact ND2-OD2 2.94Å
328P97.6Very high97.4Very high0 Ų031.7 Ų31.70%017%0.166CC..  trans-88.5-3.9-17937.3-37000113.6I22 T326 A330 S331 I332 F396 L397 L400I22-P328 HydrophobicContact CG2-CB 3.61Å; T326-P328 VanDerWaalsContact O-CD 3.3Å; T326-P328 WeakPolarHBondContact O-CD 3.36Å; P328-A330 PolarHBondContact O-N 3.21Å; P328-S331 WeakPolarHBondContact O-CB 3.46Å; P328-S331 PolarHBondContact O-N 3.07Å; P328-S331 VanDerWaalsContact O-N 3.14Å; P328-I332 HydrophobicContact CB-CD1 4.23Å; P328-I332 HydrophobicContact CG-CD1 4.22Å; P328-I332 WeakPolarHBondContact O-CG1 3.22Å; P328-I332 PolarHBondContact O-N 3.41Å; P328-F396 HydrophobicContact CG-CD1 3.63Å; P328-F396 HydrophobicContact CG-CE1 3.88Å; P328-L397 HydrophobicContact CB-CD1 4.48Å; P328-L397 HydrophobicContact CB-CD2 3.9Å; P328-L397 HydrophobicContact CB-CG 4.23Å; P328-L397 HydrophobicContact CG-CD2 3.93Å; P328-L397 HydrophobicContact CG-CG 4.07Å; P328-L400 HydrophobicContact CG-CD1 4.42Å
329I97.6Very high97.4Very high1 Ų128.8 Ų28.81%0.00515%0.152CC..Hα-helixtrans-61.6-48.5-166.9-63.6-65.7000112.2I112 M289 N327 S331 I332 F333 C362 I366 F396 L400I112-I329 HydrophobicContact CD1-CG2 3.73Å; I112-I329 HydrophobicContact CG2-CG2 4.48Å; M289-I329 HydrophobicContact CE-CG2 4.41Å; M289-I329 HydrophobicContact SD-CB 4.17Å; M289-I329 HydrophobicContact SD-CG1 4.38Å; M289-I329 HydrophobicContact SD-CG2 4.02Å; N327-I329 VanDerWaalsContact OD1-CB 3.23Å; N327-I329 WeakPolarHBondContact OD1-CB 3.24Å; N327-I329 WeakPolarHBondContact OD1-CG1 3.29Å; N327-I329 PolarHBondContact OD1-N 3.49Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 2.95Å; I329-I332 HydrophobicContact CD1-CD1 4.49Å; I329-I332 WeakPolarHBondContact O-CB 3.47Å; I329-I332 PolarHBondContact O-N 3.14Å; I329-I332 VanDerWaalsContact O-N 3.1Å; I329-F333 HydrophobicContact CG2-CD2 3.79Å; I329-F333 HydrophobicContact CG2-CE2 3.8Å; I329-F333 WeakPolarHBondContact O-CD2 3.44Å; I329-F333 PolarHBondContact O-N 3.37Å; I329-C362 HydrophobicContact CD1-CB 3.65Å; I329-C362 VanDerWaalsContact CD1-SG 3.51Å; I329-I366 HydrophobicContact CD1-CD1 4.13Å; I329-I366 HydrophobicContact CG1-CD1 4.01Å; I329-F396 HydrophobicContact CD1-CE1 3.77Å; I329-F396 HydrophobicContact CD1-CZ 3.96Å; I329-F396 HydrophobicContact CG1-CE1 3.98Å; I329-F396 HydrophobicContact CG1-CZ 4.37Å; I329-L400 HydrophobicContact CD1-CD1 4.12Å
330A94.9Very high97.5Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-58.6-37.7176.600000112.8G288 M290 A306 P328 F333 A334G288-A330 WeakPolarHBondContact O-CB 3.26Å; G288-A330 PolarHBondContact O-N 2.91Å; G288-A330 VanDerWaalsContact O-N 3.11Å; M290-A330 WeakPolarHBondContact O-CB 3.44Å; A306-A330 HydrophobicContact CB-CB 3.74Å; P328-A330 PolarHBondContact O-N 3.21Å; A330-F333 PolarHBondContact O-N 3.22Å; A330-A334 PolarHBondContact O-N 3.2Å
331S97.8Very high97.5Very high3 Ų320.8 Ų20.82%0.02112%0.116CC..Hα-helixtrans-68.4-37.4175.3-60.30000112.4P328 I329 F333 A334 W335P328-S331 WeakPolarHBondContact O-CB 3.46Å; P328-S331 PolarHBondContact O-N 3.07Å; P328-S331 VanDerWaalsContact O-N 3.14Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 2.95Å; S331-F333 VanDerWaalsContact C-N 3.35Å; S331-A334 WeakPolarHBondContact O-CB 3.36Å; S331-A334 PolarHBondContact O-N 3.48Å; S331-W335 PolarHBondContact O-N 3.26Å
332I98.6Very high97.5Very high0 Ų018.2 Ų18.20%08%0.083CC..Hα-helixtrans-65-42.8173-65.9165.5000109.9I26 L30 P328 I329 A334 W335 T336 L358 L397 L400I26-I332 HydrophobicContact CD1-CG1 3.59Å; I26-I332 HydrophobicContact CG1-CD1 4.5Å; I26-I332 HydrophobicContact CG1-CG1 3.71Å; I26-I332 HydrophobicContact CG2-CG1 4.29Å; L30-I332 HydrophobicContact CD1-CD1 3.64Å; L30-I332 HydrophobicContact CD1-CG1 3.92Å; P328-I332 HydrophobicContact CB-CD1 4.23Å; P328-I332 HydrophobicContact CG-CD1 4.22Å; P328-I332 WeakPolarHBondContact O-CG1 3.22Å; P328-I332 PolarHBondContact O-N 3.41Å; I329-I332 HydrophobicContact CD1-CD1 4.49Å; I329-I332 WeakPolarHBondContact O-CB 3.47Å; I329-I332 PolarHBondContact O-N 3.14Å; I329-I332 VanDerWaalsContact O-N 3.1Å; I332-A334 VanDerWaalsContact C-N 3.3Å; I332-A334 PolarHBondContact O-N 3.36Å; I332-W335 WeakPolarHBondContact O-CA 3.4Å; I332-W335 WeakPolarHBondContact O-CB 3.22Å; I332-W335 PolarHBondContact O-N 2.88Å; I332-W335 VanDerWaalsContact O-N 3.11Å; I332-T336 HydrophobicContact CG2-CG2 4.42Å; I332-T336 PolarHBondContact O-N 3.48Å; I332-L358 HydrophobicContact CG2-CD1 4.01Å; I332-L358 HydrophobicContact CG2-CD2 3.93Å; I332-L358 HydrophobicContact CG2-CG 3.76Å; I332-L397 HydrophobicContact CD1-CD2 4.14Å; I332-L400 HydrophobicContact CD1-CD1 3.59Å
333F98.2Very high97.6Very high3 Ų312.7 Ų12.71%0.0136%0.06CC..Hα-helixtrans-68.1-29.2178.3-87-116000112.5I112 T291 I329 A330 S331 W335 T336 R337 E359 C362 I363I112-F333 HydrophobicContact CD1-CB 4.04Å; I112-F333 HydrophobicContact CD1-CD1 3.65Å; I112-F333 HydrophobicContact CD1-CD2 3.77Å; I112-F333 HydrophobicContact CD1-CE1 3.96Å; I112-F333 HydrophobicContact CD1-CE2 4.07Å; I112-F333 HydrophobicContact CD1-CG 3.53Å; I112-F333 HydrophobicContact CD1-CZ 4.16Å; I112-F333 HydrophobicContact CG1-CD1 3.98Å; I112-F333 HydrophobicContact CG1-CE1 3.99Å; I112-F333 HydrophobicContact CG1-CG 4.37Å; I112-F333 HydrophobicContact CG1-CZ 4.4Å; I112-F333 HydrophobicContact CG2-CE1 4.11Å; I112-F333 HydrophobicContact CG2-CE2 4.32Å; I112-F333 HydrophobicContact CG2-CZ 3.81Å; T291-F333 HydrophobicContact CG2-CB 3.58Å; T291-F333 HydrophobicContact CG2-CD1 3.61Å; T291-F333 HydrophobicContact CG2-CG 3.97Å; I329-F333 HydrophobicContact CG2-CD2 3.79Å; I329-F333 HydrophobicContact CG2-CE2 3.8Å; I329-F333 WeakPolarHBondContact O-CD2 3.44Å; I329-F333 PolarHBondContact O-N 3.37Å; A330-F333 PolarHBondContact O-N 3.22Å; S331-F333 VanDerWaalsContact C-N 3.35Å; F333-W335 VanDerWaalsContact C-N 3.3Å; F333-W335 PolarHBondContact O-N 3.5Å; F333-T336 VanDerWaalsContact CA-OG1 3.31Å; F333-T336 WeakPolarHBondContact CA-OG1 3.41Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-T336 PolarHBondContact O-OG1 3.33Å; F333-R337 WeakPolarHBondContact O-CB 3.48Å; F333-R337 WeakPolarHBondContact O-CG 3.42Å; F333-R337 PolarHBondContact O-N 3.33Å; F333-E359 HydrophobicContact CD1-CG 3.9Å; F333-E359 HydrophobicContact CD2-CG 4.4Å; F333-E359 HydrophobicContact CE1-CB 3.9Å; F333-E359 VanDerWaalsContact CE1-CD 3.49Å; F333-E359 HydrophobicContact CE1-CG 3.56Å; F333-E359 HydrophobicContact CE2-CB 4.23Å; F333-E359 HydrophobicContact CE2-CG 4.1Å; F333-E359 HydrophobicContact CG-CG 4.33Å; F333-E359 HydrophobicContact CZ-CB 3.64Å; F333-E359 HydrophobicContact CZ-CG 3.68Å; F333-C362 HydrophobicContact CE2-CB 3.74Å; F333-I363 HydrophobicContact CZ-CD1 4.49Å
334A97.9Very high97.7Very high2 Ų215.9 Ų15.92%0.0177%0.072CC..Hα-helixtrans-57.1-47.5169.300000110.4W23 I71 A304 A330 S331 I332 G338W23-A334 HydrophobicContact CZ3-CB 4.49Å; I71-A334 HydrophobicContact CG2-CB 4.26Å; I71-A334 WeakPolarHBondContact CG2-O 3.15Å; A304-A334 WeakPolarHBondContact CB-O 3.46Å; A330-A334 PolarHBondContact O-N 3.2Å; S331-A334 WeakPolarHBondContact O-CB 3.36Å; S331-A334 PolarHBondContact O-N 3.48Å; I332-A334 VanDerWaalsContact C-N 3.3Å; I332-A334 PolarHBondContact O-N 3.36Å; A334-G338 PolarHBondContact O-N 3.02Å; A334-G338 VanDerWaalsContact O-N 3.12Å
335W98.6Very high97.6Very high0 Ų018.4 Ų18.40%09%0.085CC..Hα-helixtrans-59-54.4174.2-82.394.6000112.4E12 W23 I26 K27 I31 L37 L39 I71 S331 I332 F333 R337 G338 L339E12-W335 HydrophobicContact CG-CH2 4.39Å; E12-W335 HydrophobicContact CG-CZ2 4.32Å; W23-W335 AromaticContact CD2-NE1 3.58Å; W23-W335 AromaticContact CE2-CE2 3.77Å; W23-W335 AromaticContact CE2-CZ2 3.71Å; W23-W335 AromaticContact CE2-NE1 3.33Å; W23-W335 VanDerWaalsContact CE2-NE1 3.33Å; W23-W335 AromaticContact CE3-NE1 3.61Å; W23-W335 AromaticContact CH2-CD1 3.67Å; W23-W335 AromaticContact CH2-CE2 3.92Å; W23-W335 HydrophobicContact CH2-CZ2 4.47Å; W23-W335 AromaticContact CH2-NE1 3.25Å; W23-W335 AromaticContact CZ2-CE2 3.5Å; W23-W335 VanDerWaalsContact CZ2-CE2 3.5Å; W23-W335 AromaticContact CZ2-CZ2 3.62Å; W23-W335 HydrophobicContact CZ2-CZ2 3.62Å; W23-W335 AromaticContact CZ2-NE1 3.17Å; W23-W335 AromaticContact CZ3-CD1 3.69Å; W23-W335 AromaticContact CZ3-NE1 3.45Å; W23-W335 AromaticContact NE1-CZ2 3.75Å; I26-W335 HydrophobicContact CG2-CG 4.26Å; K27-W335 HydrophobicContact CD-CH2 4.15Å; K27-W335 HydrophobicContact CD-CZ2 3.77Å; K27-W335 HydrophobicContact CG-CH2 4.06Å; K27-W335 HydrophobicContact CG-CZ2 3.53Å; I31-W335 HydrophobicContact CD1-CB 4.11Å; I31-W335 HydrophobicContact CD1-CD2 4.44Å; I31-W335 HydrophobicContact CD1-CE3 4.48Å; I31-W335 HydrophobicContact CD1-CG 4.31Å; I31-W335 HydrophobicContact CG1-CD2 4.17Å; I31-W335 HydrophobicContact CG1-CE3 4.25Å; I31-W335 HydrophobicContact CG1-CG 4.36Å; I31-W335 HydrophobicContact CG2-CE3 4.25Å; I31-W335 HydrophobicContact CG2-CZ3 4.27Å; L37-W335 HydrophobicContact CD1-CZ3 3.89Å; L39-W335 HydrophobicContact CD1-CH2 4.13Å; L39-W335 HydrophobicContact CD1-CZ3 4.31Å; L39-W335 HydrophobicContact CD2-CH2 4.46Å; I71-W335 HydrophobicContact CD1-CD2 4.28Å; I71-W335 HydrophobicContact CD1-CE3 3.67Å; I71-W335 HydrophobicContact CD1-CZ3 4.05Å; I71-W335 HydrophobicContact CG2-CD2 4.1Å; I71-W335 HydrophobicContact CG2-CE3 4.48Å; I71-W335 HydrophobicContact CG2-CG 4.12Å; S331-W335 PolarHBondContact O-N 3.26Å; I332-W335 WeakPolarHBondContact O-CA 3.4Å; I332-W335 WeakPolarHBondContact O-CB 3.22Å; I332-W335 PolarHBondContact O-N 2.88Å; I332-W335 VanDerWaalsContact O-N 3.11Å; F333-W335 VanDerWaalsContact C-N 3.3Å; F333-W335 PolarHBondContact O-N 3.5Å; W335-R337 VanDerWaalsContact C-N 3.34Å; W335-R337 PolarHBondContact O-N 2.8Å; W335-G338 PolarHBondContact O-N 3.32Å; W335-L339 WeakPolarHBondContact O-CB 3.4Å; W335-L339 VanDerWaalsContact O-CG 3.25Å; W335-L339 WeakPolarHBondContact O-CG 3.16Å; W335-L339 PolarHBondContact O-N 3.45Å
336T98.6Very high97.6Very high0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-63.8-38.5-176.259.40000112.1I332 F333 L339 L340 A355 L358 E359I332-T336 HydrophobicContact CG2-CG2 4.42Å; I332-T336 PolarHBondContact O-N 3.48Å; F333-T336 VanDerWaalsContact CA-OG1 3.31Å; F333-T336 WeakPolarHBondContact CA-OG1 3.41Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-T336 PolarHBondContact O-OG1 3.33Å; T336-L339 PolarHBondContact O-N 2.76Å; T336-L340 WeakPolarHBondContact O-CB 2.92Å; T336-L340 WeakPolarHBondContact O-CG 3.36Å; T336-L340 PolarHBondContact O-N 2.56Å; T336-A355 HydrophobicContact CG2-CB 4.45Å; T336-L358 HydrophobicContact CG2-CB 3.86Å; T336-L358 HydrophobicContact CG2-CD2 3.71Å; T336-L358 HydrophobicContact CG2-CG 3.73Å; T336-E359 WeakPolarHBondContact CB-OE1 3.39Å; T336-E359 HydrophobicContact CG2-CG 3.95Å; T336-E359 VanDerWaalsContact OG1-CG 3.23Å; T336-E359 WeakPolarHBondContact OG1-CG 3.41Å; T336-E359 PolarHBondContact OG1-OE1 3.35Å
337R97.8Very high97.6Very high60 Ų6028 Ų2823%0.22614%0.136CC..Hα-helixtrans-63.6-42.5176.9-67.7-68.3-176.7-127.5-3.6111.9V293 A304 F333 W335 H341 E359V293-R337 HydrophobicContact CG2-CB 4.09Å; V293-R337 HydrophobicContact CG2-CG 4.25Å; A304-R337 HydrophobicContact CB-CB 4.11Å; F333-R337 WeakPolarHBondContact O-CB 3.48Å; F333-R337 WeakPolarHBondContact O-CG 3.42Å; F333-R337 PolarHBondContact O-N 3.33Å; W335-R337 VanDerWaalsContact C-N 3.34Å; W335-R337 PolarHBondContact O-N 2.8Å; R337-H341 PolarHBondContact O-N 2.95Å; R337-H341 VanDerWaalsContact O-N 3.14Å; R337-E359 IonicContact CZ-OE1 2.64Å; R337-E359 VanDerWaalsContact CZ-OE1 3.24Å; R337-E359 IonicContact CZ-OE2 2.73Å; R337-E359 VanDerWaalsContact CZ-OE2 3.3Å; R337-E359 IonicContact NE-OE1 2.64Å; R337-E359 IonicContact NH1-OE1 3.65Å; R337-E359 PolarHBondContact NH1-OE1 2.95Å; R337-E359 IonicContact NH1-OE2 2.65Å; R337-E359 PolarHBondContact NH1-OE2 3.01Å; R337-E359 IonicContact NH2-OE1 3.17Å; R337-E359 IonicContact NH2-OE2 3.68Å; R337-E359 PolarHBondContact NH2-OE2 2.94Å
338G97.9Very high97.6Very high0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-61.9-46.3172.400000112.5V69 A334 W335 H341 R342V69-G338 WeakPolarHBondContact CG1-O 3.19Å; A334-G338 PolarHBondContact O-N 3.02Å; A334-G338 VanDerWaalsContact O-N 3.12Å; W335-G338 PolarHBondContact O-N 3.32Å; G338-H341 PolarHBondContact O-N 3.2Å; G338-R342 PolarHBondContact O-N 2.94Å
339L98.4Very high97.6Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-67.5-36.9179.9-66173.9000113V10 I31 L35 L37 W335 T336 H341 R342 A343 L351 F354 A355V10-L339 HydrophobicContact CG2-CD2 4.46Å; I31-L339 HydrophobicContact CD1-CD1 4.32Å; L35-L339 HydrophobicContact CD1-CD1 3.62Å; L35-L339 HydrophobicContact CD1-CD2 4.17Å; L37-L339 HydrophobicContact CD2-CD2 3.98Å; W335-L339 WeakPolarHBondContact O-CB 3.4Å; W335-L339 VanDerWaalsContact O-CG 3.25Å; W335-L339 WeakPolarHBondContact O-CG 3.16Å; W335-L339 PolarHBondContact O-N 3.45Å; T336-L339 PolarHBondContact O-N 2.76Å; L339-H341 VanDerWaalsContact C-N 3.31Å; L339-R342 PolarHBondContact O-N 3.41Å; L339-A343 VanDerWaalsContact O-CB 3.26Å; L339-A343 WeakPolarHBondContact O-CB 3.44Å; L339-A343 PolarHBondContact O-N 3.11Å; L339-L351 HydrophobicContact CB-CD1 4.25Å; L339-L351 HydrophobicContact CB-CG 4.44Å; L339-L351 HydrophobicContact CD2-CD1 4.22Å; L339-F354 HydrophobicContact CD1-CE1 4.18Å; L339-A355 HydrophobicContact CB-CB 4.21Å
340L97.9Very high97.5Very high33 Ų3336.6 Ų36.617%0.17318%0.184CC..Hα-helixtrans-62.3-41.6173.5-76.4167.9000111.2T336 A343 K344 R352 A355 E356T336-L340 WeakPolarHBondContact O-CB 2.92Å; T336-L340 WeakPolarHBondContact O-CG 3.36Å; T336-L340 PolarHBondContact O-N 2.56Å; L340-A343 WeakPolarHBondContact O-CB 3.45Å; L340-A343 PolarHBondContact O-N 3.47Å; L340-K344 PolarHBondContact O-N 3.27Å; L340-R352 HydrophobicContact CD2-CG 3.94Å; L340-A355 HydrophobicContact CD2-CB 3.78Å; L340-A355 HydrophobicContact CG-CB 3.69Å; L340-E356 HydrophobicContact CD2-CG 3.94Å
341H97.4Very high97.6Very high27 Ų2736.6 Ų36.613%0.12518%0.184CC..Hα-helixtrans-69.2-41.5176.8-168.374.6000111.7R300 V302 R337 G338 L339 A343 K344 L345R300-H341 PolarHBondContact O-NE2 3.32Å; V302-H341 HydrophobicContact CG2-CB 3.82Å; V302-H341 WeakPolarHBondContact CG2-CD2 3.43Å; R337-H341 PolarHBondContact O-N 2.95Å; R337-H341 VanDerWaalsContact O-N 3.14Å; G338-H341 PolarHBondContact O-N 3.2Å; L339-H341 VanDerWaalsContact C-N 3.31Å; H341-A343 VanDerWaalsContact C-N 3.31Å; H341-A343 PolarHBondContact O-N 3.02Å; H341-K344 WeakPolarHBondContact O-CB 3.18Å; H341-K344 PolarHBondContact O-N 3.24Å; H341-L345 WeakPolarHBondContact O-CG 3.44Å; H341-L345 PolarHBondContact O-N 3.38Å
342R98.3Very high97.6Very high19 Ų1941 Ų417%0.07220%0.2CC..Hα-helixtrans-56.9-45.9171.1-174.566.4-86.1162.5-4.5111.5S9 V10 Y67 V69 G338 L339 K344 L345 D346 L351S9-R342 VanDerWaalsContact O-CD 3.24Å; S9-R342 WeakPolarHBondContact O-CD 3.45Å; S9-R342 PolarHBondContact O-NH1 2.98Å; V10-R342 HydrophobicContact CG2-CB 4.3Å; V10-R342 HydrophobicContact CG2-CG 4.04Å; Y67-R342 PolarHBondContact O-NH1 2.84Å; V69-R342 HydrophobicContact CG2-CB 4.17Å; G338-R342 PolarHBondContact O-N 2.94Å; L339-R342 PolarHBondContact O-N 3.41Å; R342-K344 VanDerWaalsContact C-N 3.31Å; R342-K344 PolarHBondContact O-N 2.95Å; R342-L345 PolarHBondContact O-N 3.44Å; R342-D346 WeakPolarHBondContact CD-OD2 3.4Å; R342-D346 IonicContact CZ-OD1 3.88Å; R342-D346 VanDerWaalsContact CZ-OD1 3.24Å; R342-D346 IonicContact CZ-OD2 3.32Å; R342-D346 VanDerWaalsContact NE-CG 3.25Å; R342-D346 IonicContact NE-OD1 2.76Å; R342-D346 PolarHBondContact NE-OD1 2.93Å; R342-D346 IonicContact NE-OD2 2.81Å; R342-D346 PolarHBondContact NE-OD2 3.25Å; R342-D346 IonicContact NH2-OD1 3.67Å; R342-D346 PolarHBondContact NH2-OD1 3.44Å; R342-D346 IonicContact NH2-OD2 3.24Å; R342-D346 WeakPolarHBondContact O-CB 3.39Å; R342-D346 PolarHBondContact O-N 3.17Å; R342-L351 HydrophobicContact CB-CD2 4.2Å; R342-L351 HydrophobicContact CG-CD2 4.11Å
343A97.9Very high97.6Very high3 Ų342.4 Ų42.43%0.02521%0.209CC..Hα-helixtrans-59.8-40.8177.400000112.2L339 L340 H341 D346 N347 N348 L351 R352L339-A343 VanDerWaalsContact O-CB 3.26Å; L339-A343 WeakPolarHBondContact O-CB 3.44Å; L339-A343 PolarHBondContact O-N 3.11Å; L340-A343 WeakPolarHBondContact O-CB 3.45Å; L340-A343 PolarHBondContact O-N 3.47Å; H341-A343 VanDerWaalsContact C-N 3.31Å; H341-A343 PolarHBondContact O-N 3.02Å; A343-D346 PolarHBondContact O-N 2.73Å; A343-N347 CarbonylContact O-C 3.54Å; A343-N347 WeakPolarHBondContact O-CA 3.49Å; A343-N347 PolarHBondContact O-N 2.85Å; A343-N348 WeakPolarHBondContact CB-O 3.32Å; A343-N348 PolarHBondContact O-N 3.14Å; A343-L351 HydrophobicContact CB-CB 3.94Å; A343-L351 HydrophobicContact CB-CD2 3.97Å; A343-L351 HydrophobicContact CB-CG 3.96Å; A343-R352 HydrophobicContact CB-CB 3.89Å
344K96.5Very high97.5Very high156 Ų15642.4 Ų42.468%0.67821%0.209SC*.Hα-helixtrans-62.8-47174.3-179.5-174.4175.2-171.40111.7L340 H341 R342 D346 N347L340-K344 PolarHBondContact O-N 3.27Å; H341-K344 WeakPolarHBondContact O-CB 3.18Å; H341-K344 PolarHBondContact O-N 3.24Å; R342-K344 VanDerWaalsContact C-N 3.31Å; R342-K344 PolarHBondContact O-N 2.95Å; K344-D346 VanDerWaalsContact C-N 3.3Å; K344-D346 PolarHBondContact O-N 3.3Å; K344-N347 PolarHBondContact O-N 2.88Å
345L96.6Very high97.5Very high55 Ų5542.3 Ų42.329%0.28821%0.209SC..Hα-helixtrans-65.5-33.7-179.4-67.3177.9000112.6N68 V69 R300 H341 R342N68-L345 HydrophobicContact CB-CD1 3.83Å; V69-L345 HydrophobicContact CG2-CD1 4.08Å; R300-L345 HydrophobicContact CG-CD2 3.78Å; H341-L345 WeakPolarHBondContact O-CG 3.44Å; H341-L345 PolarHBondContact O-N 3.38Å; R342-L345 PolarHBondContact O-N 3.44Å
346D97.3Very high97.5Very high65 Ų6546.3 Ų46.335%0.34823%0.227SC..Hα-helixtrans-93.1-3.1-179.2-63.6-19.2000113.7G8 R342 A343 K344 N348G8-D346 WeakPolarHBondContact CA-OD2 3.46Å; G8-D346 PolarHBondContact N-OD2 3.24Å; R342-D346 WeakPolarHBondContact CD-OD2 3.4Å; R342-D346 IonicContact CZ-OD1 3.88Å; R342-D346 VanDerWaalsContact CZ-OD1 3.24Å; R342-D346 IonicContact CZ-OD2 3.32Å; R342-D346 VanDerWaalsContact NE-CG 3.25Å; R342-D346 IonicContact NE-OD1 2.76Å; R342-D346 PolarHBondContact NE-OD1 2.93Å; R342-D346 IonicContact NE-OD2 2.81Å; R342-D346 PolarHBondContact NE-OD2 3.25Å; R342-D346 IonicContact NH2-OD1 3.67Å; R342-D346 PolarHBondContact NH2-OD1 3.44Å; R342-D346 IonicContact NH2-OD2 3.24Å; R342-D346 WeakPolarHBondContact O-CB 3.39Å; R342-D346 PolarHBondContact O-N 3.17Å; A343-D346 PolarHBondContact O-N 2.73Å; K344-D346 VanDerWaalsContact C-N 3.3Å; K344-D346 PolarHBondContact O-N 3.3Å; D346-N348 HydrophobicContact CB-CB 4.09Å; D346-N348 PolarHBondContact O-N 3.29Å
347N97.1Very high97.5Very high153 Ų15346.4 Ų46.482%0.81823%0.228SC*.THydrogen-bonded Turntrans50.841.3-168-166.539.5000112.8A343 K344A343-N347 CarbonylContact O-C 3.54Å; A343-N347 WeakPolarHBondContact O-CA 3.49Å; A343-N347 PolarHBondContact O-N 2.85Å; K344-N347 PolarHBondContact O-N 2.88Å
348N97.4Very high97.5Very high34 Ų3443.5 Ų43.518%0.18222%0.217CC..  trans-97.295.6-175-174.7-22.1000111.1K6 A343 D346 E350 L351 R352K6-N348 PolarHBondContact O-ND2 3.42Å; A343-N348 WeakPolarHBondContact CB-O 3.32Å; A343-N348 PolarHBondContact O-N 3.14Å; D346-N348 HydrophobicContact CB-CB 4.09Å; D346-N348 PolarHBondContact O-N 3.29Å; N348-E350 PolarHBondContact O-N 3.29Å; N348-E350 PolarHBondContact OD1-N 3.19Å; N348-L351 HydrophobicContact CB-CB 4.16Å; N348-L351 PolarHBondContact OD1-N 3.38Å; N348-R352 PolarHBondContact O-N 3.02Å
349A96.8Very high97.5Very high45 Ų4544.6 Ų44.637%0.37222%0.222SC..Hα-helixtrans-65.4-35.6-17800000113.5R352 V353 L414A349-R352 PolarHBondContact O-N 3.17Å; A349-V353 WeakPolarHBondContact O-CG2 3.35Å; A349-V353 PolarHBondContact O-N 3.22Å; A349-L414 HydrophobicContact CB-CD1 3.96Å; A349-L414 WeakPolarHBondContact O-CD1 3.36Å
350E96.3Very high97.5Very high110 Ų11046 Ų4651%0.51423%0.233SC..Hα-helixtrans-64.7-45.5179.5-66-176.1176.300111.4I5 N348 R352 V353 F354 L414I5-E350 HydrophobicContact CD1-CB 4.39Å; I5-E350 HydrophobicContact CG1-CB 4.37Å; I5-E350 HydrophobicContact CG2-CB 3.87Å; N348-E350 PolarHBondContact O-N 3.29Å; N348-E350 PolarHBondContact OD1-N 3.19Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 3.45Å; E350-V353 PolarHBondContact O-N 2.85Å; E350-F354 WeakPolarHBondContact O-CB 3.36Å; E350-F354 PolarHBondContact O-N 2.63Å; E350-L414 HydrophobicContact CB-CD1 4.43Å; E350-L414 HydrophobicContact CG-CD1 4.04Å
351L97.5Very high97.5Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-63.6-39.9176.8-176.762.1000111.7I5 A7 L35 L339 R342 A343 N348 F354 A355I5-L351 HydrophobicContact CG2-CB 4.26Å; A7-L351 HydrophobicContact CB-CD1 4.2Å; A7-L351 HydrophobicContact CB-CD2 3.65Å; L35-L351 HydrophobicContact CD1-CD1 3.77Å; L35-L351 HydrophobicContact CD2-CD1 3.95Å; L339-L351 HydrophobicContact CB-CD1 4.25Å; L339-L351 HydrophobicContact CB-CG 4.44Å; L339-L351 HydrophobicContact CD2-CD1 4.22Å; R342-L351 HydrophobicContact CB-CD2 4.2Å; R342-L351 HydrophobicContact CG-CD2 4.11Å; A343-L351 HydrophobicContact CB-CB 3.94Å; A343-L351 HydrophobicContact CB-CD2 3.97Å; A343-L351 HydrophobicContact CB-CG 3.96Å; N348-L351 HydrophobicContact CB-CB 4.16Å; N348-L351 PolarHBondContact OD1-N 3.38Å; L351-F354 PolarHBondContact O-N 2.92Å; L351-A355 WeakPolarHBondContact O-CB 3.05Å; L351-A355 PolarHBondContact O-N 3.38Å
352R97.5Very high97.6Very high95 Ų9543.2 Ų43.236%0.35822%0.22SC..Hα-helixtrans-60.1-51175.7-177.5-177.15970.36.3111.1L340 A343 N348 A349 E350 F354 A355 E356L340-R352 HydrophobicContact CD2-CG 3.94Å; A343-R352 HydrophobicContact CB-CB 3.89Å; N348-R352 PolarHBondContact O-N 3.02Å; A349-R352 PolarHBondContact O-N 3.17Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 3.45Å; R352-F354 VanDerWaalsContact C-N 3.32Å; R352-F354 PolarHBondContact O-N 3.49Å; R352-A355 PolarHBondContact O-N 3.2Å; R352-E356 HydrophobicContact CG-CG 4.48Å; R352-E356 VanDerWaalsContact CG-OE1 3.27Å; R352-E356 WeakPolarHBondContact CG-OE1 3.23Å; R352-E356 IonicContact CZ-OE1 3.85Å; R352-E356 IonicContact NH1-OE1 3.57Å; R352-E356 PolarHBondContact NH1-OE1 3.38Å; R352-E356 IonicContact NH1-OE2 2.75Å; R352-E356 PolarHBondContact NH1-OE2 3.09Å; R352-E356 WeakPolarHBondContact O-CG 3.42Å; R352-E356 PolarHBondContact O-N 2.85Å
353V96.8Very high97.5Very high31 Ų3144.5 Ų44.519%0.18823%0.228CC..Hα-helixtrans-62.4-39.9-179.8167.80000111.4A349 E350 A357 L414A349-V353 WeakPolarHBondContact O-CG2 3.35Å; A349-V353 PolarHBondContact O-N 3.22Å; E350-V353 PolarHBondContact O-N 2.85Å; V353-A357 VanDerWaalsContact O-CB 3.25Å; V353-A357 WeakPolarHBondContact O-CB 3.48Å; V353-A357 PolarHBondContact O-N 3.09Å; V353-L414 HydrophobicContact CB-CD1 4.12Å; V353-L414 HydrophobicContact CG2-CD1 3.73Å; V353-L414 HydrophobicContact CG2-CD2 4.19Å; V353-L414 HydrophobicContact CG2-CG 4.2Å
354F97.8Very high97.5Very high3 Ų348.6 Ų48.61%0.01325%0.246CC..Hα-helixtrans-59.4-49.8174.3167.9-93.7000112.2I5 L30 I31 Y34 L35 L339 E350 L351 R352 A357 L358 L404 L408I5-F354 HydrophobicContact CD1-CB 3.74Å; I5-F354 HydrophobicContact CD1-CD2 4.47Å; I5-F354 HydrophobicContact CD1-CG 4.26Å; L30-F354 WeakPolarHBondContact O-CZ 3.43Å; I31-F354 HydrophobicContact CD1-CE1 4.48Å; Y34-F354 VanDerWaalsContact CB-CE2 3.48Å; Y34-F354 AromaticContact CD2-CE2 3.84Å; Y34-F354 HydrophobicContact CD2-CE2 3.84Å; Y34-F354 HydrophobicContact CD2-CZ 4.33Å; Y34-F354 HydrophobicContact CG-CD2 4.47Å; Y34-F354 AromaticContact CG-CE2 3.72Å; Y34-F354 HydrophobicContact CG-CE2 3.72Å; L35-F354 HydrophobicContact CD1-CD1 3.89Å; L35-F354 HydrophobicContact CD1-CE1 3.58Å; L35-F354 HydrophobicContact CD1-CZ 4.29Å; L35-F354 HydrophobicContact CD2-CD1 3.77Å; L35-F354 HydrophobicContact CD2-CD2 4.35Å; L35-F354 HydrophobicContact CD2-CE1 4.01Å; L35-F354 HydrophobicContact CD2-CG 3.96Å; L35-F354 HydrophobicContact CD2-CZ 4.37Å; L35-F354 HydrophobicContact CG-CD1 4.15Å; L35-F354 HydrophobicContact CG-CE1 3.87Å; L35-F354 HydrophobicContact CG-CZ 4.15Å; L339-F354 HydrophobicContact CD1-CE1 4.18Å; E350-F354 WeakPolarHBondContact O-CB 3.36Å; E350-F354 PolarHBondContact O-N 2.63Å; L351-F354 PolarHBondContact O-N 2.92Å; R352-F354 VanDerWaalsContact C-N 3.32Å; R352-F354 PolarHBondContact O-N 3.49Å; F354-A357 WeakPolarHBondContact O-CB 3.3Å; F354-A357 PolarHBondContact O-N 3Å; F354-L358 HydrophobicContact CE1-CD2 4.43Å; F354-L358 HydrophobicContact CZ-CD2 4.3Å; F354-L358 PolarHBondContact O-N 3.46Å; F354-L404 HydrophobicContact CE2-CD2 4.36Å; F354-L408 HydrophobicContact CD2-CD1 3.93Å; F354-L408 HydrophobicContact CD2-CD2 4.34Å; F354-L408 HydrophobicContact CE2-CD1 4.06Å
355A98.1Very high97.6Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-66.4-39.6-17800000111.9T336 L339 L340 L351 R352 L358 E359T336-A355 HydrophobicContact CG2-CB 4.45Å; L339-A355 HydrophobicContact CB-CB 4.21Å; L340-A355 HydrophobicContact CD2-CB 3.78Å; L340-A355 HydrophobicContact CG-CB 3.69Å; L351-A355 WeakPolarHBondContact O-CB 3.05Å; L351-A355 PolarHBondContact O-N 3.38Å; R352-A355 PolarHBondContact O-N 3.2Å; A355-L358 PolarHBondContact O-N 2.95Å; A355-E359 PolarHBondContact O-N 2.97Å; A355-E359 VanDerWaalsContact O-N 3.08Å
356E97.7Very high97.7Very high84 Ų8438.6 Ų38.639%0.39320%0.2SC..Hα-helixtrans-61.7-41.5171.9-73.6168.7-174.900111.9L340 R352 L358 E359 A360L340-E356 HydrophobicContact CD2-CG 3.94Å; R352-E356 HydrophobicContact CG-CG 4.48Å; R352-E356 VanDerWaalsContact CG-OE1 3.27Å; R352-E356 WeakPolarHBondContact CG-OE1 3.23Å; R352-E356 IonicContact CZ-OE1 3.85Å; R352-E356 IonicContact NH1-OE1 3.57Å; R352-E356 PolarHBondContact NH1-OE1 3.38Å; R352-E356 IonicContact NH1-OE2 2.75Å; R352-E356 PolarHBondContact NH1-OE2 3.09Å; R352-E356 WeakPolarHBondContact O-CG 3.42Å; R352-E356 PolarHBondContact O-N 2.85Å; E356-L358 VanDerWaalsContact C-N 3.35Å; E356-L358 PolarHBondContact O-N 3.11Å; E356-E359 PolarHBondContact O-N 3.12Å; E356-A360 WeakPolarHBondContact O-CB 3.24Å; E356-A360 PolarHBondContact O-N 3.4Å
357A98.1Very high97.7Very high1 Ų138.3 Ų38.31%0.00820%0.197CC..Hα-helixtrans-64.4-39.6177.600000111.9V353 F354 A360 V361 K407 L408V353-A357 VanDerWaalsContact O-CB 3.25Å; V353-A357 WeakPolarHBondContact O-CB 3.48Å; V353-A357 PolarHBondContact O-N 3.09Å; F354-A357 WeakPolarHBondContact O-CB 3.3Å; F354-A357 PolarHBondContact O-N 3Å; A357-A360 PolarHBondContact O-N 2.92Å; A357-V361 WeakPolarHBondContact O-CB 3.26Å; A357-V361 WeakPolarHBondContact O-CG2 3.32Å; A357-V361 PolarHBondContact O-N 3.36Å; A357-K407 HydrophobicContact CB-CG 4.34Å; A357-L408 HydrophobicContact CB-CD2 3.88Å
358L98.6Very high97.7Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-65.9-43.9176.6-179.349.7000111.9L30 I31 I332 T336 F354 A355 E356 A360 V361 C362 L404L30-L358 HydrophobicContact CB-CD2 4.39Å; L30-L358 HydrophobicContact CD1-CD1 4.45Å; I31-L358 HydrophobicContact CD1-CD2 3.96Å; I332-L358 HydrophobicContact CG2-CD1 4.01Å; I332-L358 HydrophobicContact CG2-CD2 3.93Å; I332-L358 HydrophobicContact CG2-CG 3.76Å; T336-L358 HydrophobicContact CG2-CB 3.86Å; T336-L358 HydrophobicContact CG2-CD2 3.71Å; T336-L358 HydrophobicContact CG2-CG 3.73Å; F354-L358 HydrophobicContact CE1-CD2 4.43Å; F354-L358 HydrophobicContact CZ-CD2 4.3Å; F354-L358 PolarHBondContact O-N 3.46Å; A355-L358 PolarHBondContact O-N 2.95Å; E356-L358 VanDerWaalsContact C-N 3.35Å; E356-L358 PolarHBondContact O-N 3.11Å; L358-A360 VanDerWaalsContact C-N 3.33Å; L358-A360 PolarHBondContact O-N 3.18Å; L358-V361 PolarHBondContact O-N 2.64Å; L358-C362 PolarHBondContact O-N 3.44Å; L358-C362 VanDerWaalsContact O-N 3.08Å; L358-C362 PolarHBondContact O-SG 3.22Å; L358-L404 HydrophobicContact CB-CD1 4.22Å; L358-L404 HydrophobicContact CD1-CD1 4.23Å; L358-L404 HydrophobicContact CD1-CD2 4.03Å
359E98.4Very high97.7Very high23 Ų2334.7 Ų34.711%0.10720%0.197CC..Hα-helixtrans-60.6-42.6173.2-70.1-170.6-173.800111.9F333 T336 R337 A355 E356 C362 I363F333-E359 HydrophobicContact CD1-CG 3.9Å; F333-E359 HydrophobicContact CD2-CG 4.4Å; F333-E359 HydrophobicContact CE1-CB 3.9Å; F333-E359 VanDerWaalsContact CE1-CD 3.49Å; F333-E359 HydrophobicContact CE1-CG 3.56Å; F333-E359 HydrophobicContact CE2-CB 4.23Å; F333-E359 HydrophobicContact CE2-CG 4.1Å; F333-E359 HydrophobicContact CG-CG 4.33Å; F333-E359 HydrophobicContact CZ-CB 3.64Å; F333-E359 HydrophobicContact CZ-CG 3.68Å; T336-E359 WeakPolarHBondContact CB-OE1 3.39Å; T336-E359 HydrophobicContact CG2-CG 3.95Å; T336-E359 VanDerWaalsContact OG1-CG 3.23Å; T336-E359 WeakPolarHBondContact OG1-CG 3.41Å; T336-E359 PolarHBondContact OG1-OE1 3.35Å; R337-E359 IonicContact CZ-OE1 2.64Å; R337-E359 VanDerWaalsContact CZ-OE1 3.24Å; R337-E359 IonicContact CZ-OE2 2.73Å; R337-E359 VanDerWaalsContact CZ-OE2 3.3Å; R337-E359 IonicContact NE-OE1 2.64Å; R337-E359 IonicContact NH1-OE1 3.65Å; R337-E359 PolarHBondContact NH1-OE1 2.95Å; R337-E359 IonicContact NH1-OE2 2.65Å; R337-E359 PolarHBondContact NH1-OE2 3.01Å; R337-E359 IonicContact NH2-OE1 3.17Å; R337-E359 IonicContact NH2-OE2 3.68Å; R337-E359 PolarHBondContact NH2-OE2 2.94Å; A355-E359 PolarHBondContact O-N 2.97Å; A355-E359 VanDerWaalsContact O-N 3.08Å; E356-E359 PolarHBondContact O-N 3.12Å; E359-C362 WeakPolarHBondContact O-CB 3.37Å; E359-C362 PolarHBondContact O-N 2.93Å; E359-I363 PolarHBondContact O-N 3.47Å
360A97.8Very high97.8Very high28 Ų2836.5 Ų36.523%0.23120%0.197CC..Hα-helixtrans-62.8-44.1177.200000111.9E356 A357 L358 C362 I363 E364E356-A360 WeakPolarHBondContact O-CB 3.24Å; E356-A360 PolarHBondContact O-N 3.4Å; A357-A360 PolarHBondContact O-N 2.92Å; L358-A360 VanDerWaalsContact C-N 3.33Å; L358-A360 PolarHBondContact O-N 3.18Å; A360-C362 VanDerWaalsContact C-N 3.31Å; A360-C362 PolarHBondContact O-N 3.17Å; A360-I363 PolarHBondContact O-N 2.66Å; A360-E364 WeakPolarHBondContact O-CB 3.4Å; A360-E364 VanDerWaalsContact O-CG 3.26Å; A360-E364 WeakPolarHBondContact O-CG 3.41Å; A360-E364 PolarHBondContact O-N 2.98Å
361V98.4Very high97.9Very high2 Ų231.7 Ų31.71%0.01218%0.175CC..Hα-helixtrans-60.3-41.3178164.40000111.5A357 L358 I363 T365 L400 N403 L404 K407A357-V361 WeakPolarHBondContact O-CB 3.26Å; A357-V361 WeakPolarHBondContact O-CG2 3.32Å; A357-V361 PolarHBondContact O-N 3.36Å; L358-V361 PolarHBondContact O-N 2.64Å; V361-I363 PolarHBondContact O-N 3.23Å; V361-T365 WeakPolarHBondContact O-CB 3.31Å; V361-T365 PolarHBondContact O-N 3.47Å; V361-T365 PolarHBondContact O-OG1 2.96Å; V361-L400 HydrophobicContact CG1-CD2 4.19Å; V361-N403 HydrophobicContact CG1-CB 3.77Å; V361-L404 HydrophobicContact CG1-CB 4.27Å; V361-L404 HydrophobicContact CG2-CB 4.44Å; V361-L404 HydrophobicContact CG2-CD1 4.17Å; V361-K407 HydrophobicContact CG2-CB 3.63Å; V361-K407 HydrophobicContact CG2-CD 4.34Å; V361-K407 HydrophobicContact CG2-CG 3.81Å
362C98.3Very high97.9Very high1 Ų131.7 Ų31.71%0.00718%0.175CC..Hα-helixtrans-55.4-50.4174.1-81.10000112.2I329 F333 L358 E359 A360 I366I329-C362 HydrophobicContact CD1-CB 3.65Å; I329-C362 VanDerWaalsContact CD1-SG 3.51Å; F333-C362 HydrophobicContact CE2-CB 3.74Å; L358-C362 PolarHBondContact O-N 3.44Å; L358-C362 VanDerWaalsContact O-N 3.08Å; L358-C362 PolarHBondContact O-SG 3.22Å; E359-C362 WeakPolarHBondContact O-CB 3.37Å; E359-C362 PolarHBondContact O-N 2.93Å; A360-C362 VanDerWaalsContact C-N 3.31Å; A360-C362 PolarHBondContact O-N 3.17Å; C362-I366 WeakPolarHBondContact O-CD1 3.34Å; C362-I366 WeakPolarHBondContact O-CG1 3.27Å; C362-I366 PolarHBondContact O-N 3.21Å
363I97.3Very high97.8Very high46 Ų4631.4 Ų31.424%0.23618%0.176CC..Hα-helixtrans-67.5-51.3-179.5-63.9168.8000110.6I112 F333 E359 A360 V361 T365 I366 E367I112-I363 HydrophobicContact CG2-CG1 4.28Å; F333-I363 HydrophobicContact CZ-CD1 4.49Å; E359-I363 PolarHBondContact O-N 3.47Å; A360-I363 PolarHBondContact O-N 2.66Å; V361-I363 PolarHBondContact O-N 3.23Å; I363-T365 VanDerWaalsContact C-N 3.27Å; I363-T365 PolarHBondContact O-N 3.49Å; I363-I366 PolarHBondContact O-N 3.07Å; I363-I366 VanDerWaalsContact O-N 3.14Å; I363-E367 HydrophobicContact CG2-CG 4.21Å; I363-E367 WeakPolarHBondContact O-CG 3.3Å; I363-E367 PolarHBondContact O-N 3.35Å
364E98.1Very high97.7Very high88 Ų8831.6 Ų31.641%0.41118%0.176SC..Hα-helixtrans-61-35.4-177.3-71.5170.3-169.700112.2A360 E367 A368 K407A360-E364 WeakPolarHBondContact O-CB 3.4Å; A360-E364 VanDerWaalsContact O-CG 3.26Å; A360-E364 WeakPolarHBondContact O-CG 3.41Å; A360-E364 PolarHBondContact O-N 2.98Å; E364-E367 PolarHBondContact O-N 3.34Å; E364-A368 VanDerWaalsContact O-CB 3.3Å; E364-A368 WeakPolarHBondContact O-CB 3.49Å; E364-A368 PolarHBondContact O-N 2.64Å; E364-K407 IonicContact OE1-NZ 3.88Å; E364-K407 PolarHBondContact OE1-NZ 2.75Å; E364-K407 IonicContact OE2-NZ 2.75Å; E364-K407 PolarHBondContact OE2-NZ 2.71Å
365T98.6Very high97.5Very high1 Ų131.4 Ų31.41%0.00618%0.175CC..Hα-helixtrans-65.9-42.9176.8-59.40000111.4V361 I363 A368 F370 F396 K399 L400 N403V361-T365 WeakPolarHBondContact O-CB 3.31Å; V361-T365 PolarHBondContact O-N 3.47Å; V361-T365 PolarHBondContact O-OG1 2.96Å; I363-T365 VanDerWaalsContact C-N 3.27Å; I363-T365 PolarHBondContact O-N 3.49Å; T365-A368 PolarHBondContact O-N 2.92Å; T365-F370 CarbonylContact C-O 3.6Å; T365-F370 HydrophobicContact CG2-CB 3.77Å; T365-F370 PolarHBondContact O-N 3.13Å; T365-F370 VanDerWaalsContact O-N 3.15Å; T365-F396 HydrophobicContact CG2-CE2 3.92Å; T365-K399 HydrophobicContact CG2-CG 4.01Å; T365-L400 HydrophobicContact CG2-CD2 3.92Å; T365-N403 PolarHBondContact OG1-ND2 2.96Å
366I97.8Very high97.4Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-65.4-45.6175.2-66.2164.2000110.2C114 N116 I117 M289 I329 C362 I363 A368 G369 F370 M371 L375 F396C114-I366 HydrophobicContact CB-CG2 3.96Å; N116-I366 PolarHBondContact ND2-O 3.07Å; I117-I366 HydrophobicContact CD1-CG2 3.99Å; I117-I366 HydrophobicContact CG1-CG2 4.03Å; M289-I366 HydrophobicContact CE-CD1 3.94Å; M289-I366 HydrophobicContact SD-CD1 4.22Å; I329-I366 HydrophobicContact CD1-CD1 4.13Å; I329-I366 HydrophobicContact CG1-CD1 4.01Å; C362-I366 WeakPolarHBondContact O-CD1 3.34Å; C362-I366 WeakPolarHBondContact O-CG1 3.27Å; C362-I366 PolarHBondContact O-N 3.21Å; I363-I366 PolarHBondContact O-N 3.07Å; I363-I366 VanDerWaalsContact O-N 3.14Å; I366-A368 PolarHBondContact O-N 2.88Å; I366-G369 PolarHBondContact O-N 2.59Å; I366-F370 WeakPolarHBondContact CA-O 3.43Å; I366-M371 HydrophobicContact CG2-CB 4.42Å; I366-L375 HydrophobicContact CD1-CD1 3.7Å; I366-L375 HydrophobicContact CG1-CD1 4.01Å; I366-L375 HydrophobicContact CG2-CD1 4.02Å; I366-F396 HydrophobicContact CD1-CZ 4.42Å; I366-F396 HydrophobicContact CG1-CE2 4.45Å; I366-F396 HydrophobicContact CG1-CZ 3.96Å
367E97.4Very high97.2Very high60 Ų6029.5 Ų29.528%0.2817%0.168SC..Hα-helixtrans-62.7-29.5178.4-71.2-172.8169.100112.6C114 K115 I363 E364 G369C114-E367 HydrophobicContact CB-CG 4.34Å; K115-E367 VanDerWaalsContact CB-OE1 3.31Å; K115-E367 WeakPolarHBondContact CB-OE1 3.42Å; K115-E367 WeakPolarHBondContact CD-OE1 3.44Å; K115-E367 WeakPolarHBondContact CG-OE1 3.44Å; K115-E367 PolarHBondContact N-OE1 3.39Å; K115-E367 IonicContact NZ-OE2 3.26Å; I363-E367 HydrophobicContact CG2-CG 4.21Å; I363-E367 WeakPolarHBondContact O-CG 3.3Å; I363-E367 PolarHBondContact O-N 3.35Å; E364-E367 PolarHBondContact O-N 3.34Å; E367-G369 PolarHBondContact O-N 2.93Å
368A97.8Very high96.9Very high68 Ų6831.2 Ų31.256%0.56218%0.179SC*.THydrogen-bonded Turntrans-76-1.5172.400000114.2E364 T365 I366 F370E364-A368 VanDerWaalsContact O-CB 3.3Å; E364-A368 WeakPolarHBondContact O-CB 3.49Å; E364-A368 PolarHBondContact O-N 2.64Å; T365-A368 PolarHBondContact O-N 2.92Å; I366-A368 PolarHBondContact O-N 2.88Å; A368-F370 HydrophobicContact CB-CD2 4.13Å; A368-F370 HydrophobicContact CB-CE2 4.39Å
369G97.2Very high96.6Very high43 Ų4334.7 Ų34.744%0.44320%0.197SC..THydrogen-bonded Turntrans96.9-1.2175.500000115.2I366 E367I366-G369 PolarHBondContact O-N 2.59Å; E367-G369 PolarHBondContact O-N 2.93Å
370F98.4Very high96.4Very high83 Ų8337.6 Ų37.636%0.36421%0.209SC..  trans-90.1112.2175.1-58.7-81000109.1T365 I366 A368 L391 F396 K399T365-F370 CarbonylContact C-O 3.6Å; T365-F370 HydrophobicContact CG2-CB 3.77Å; T365-F370 PolarHBondContact O-N 3.13Å; T365-F370 VanDerWaalsContact O-N 3.15Å; I366-F370 WeakPolarHBondContact CA-O 3.43Å; A368-F370 HydrophobicContact CB-CD2 4.13Å; A368-F370 HydrophobicContact CB-CE2 4.39Å; F370-L391 HydrophobicContact CB-CD1 4.08Å; F370-L391 HydrophobicContact CD1-CD1 4.07Å; F370-F396 WeakPolarHBondContact O-CE2 3.37Å; F370-K399 HydrophobicContact CB-CG 4.23Å; F370-K399 HydrophobicContact CD1-CD 4.49Å; F370-K399 HydrophobicContact CD1-CG 4.34Å; F370-K399 HydrophobicContact CG-CG 4.11Å
371M97.9Very high96.1Very high9 Ų937.7 Ų37.74%0.04421%0.212CC..  trans-151.5165.1-174.867.1-170.17400112.5I117 I366 L375 A376 I379 Y390 L391I117-M371 HydrophobicContact CD1-SD 4.17Å; I366-M371 HydrophobicContact CG2-CB 4.42Å; M371-L375 HydrophobicContact CB-CB 3.94Å; M371-L375 HydrophobicContact CB-CD1 4.05Å; M371-L375 HydrophobicContact CG-CB 4.05Å; M371-L375 HydrophobicContact SD-CB 3.78Å; M371-A376 HydrophobicContact CG-CB 4.36Å; M371-A376 HydrophobicContact SD-CB 4.38Å; M371-I379 HydrophobicContact CE-CD1 3.58Å; M371-I379 HydrophobicContact SD-CD1 3.51Å; M371-I379 VanDerWaalsContact SD-CD1 3.51Å; M371-Y390 CarbonylContact O-C 3.52Å; M371-Y390 VanDerWaalsContact O-CA 3.26Å; M371-Y390 WeakPolarHBondContact O-CA 3.15Å; M371-Y390 WeakPolarHBondContact O-CB 3.5Å; M371-L391 PolarHBondContact O-N 2.89Å
372T97.9Very high95.8Very high0 Ų044.1 Ų44.10%024%0.244CC..  trans-81166.3172.847.40000112.1S325 N327 D374 L375 A376 F396S325-T372 WeakPolarHBondContact OG-CA 3.4Å; S325-T372 WeakPolarHBondContact OG-CB 3.19Å; N327-T372 WeakPolarHBondContact CB-OG1 3.33Å; T372-D374 VanDerWaalsContact C-N 3.28Å; T372-D374 VanDerWaalsContact CB-OD1 3.25Å; T372-D374 WeakPolarHBondContact CB-OD1 3.33Å; T372-D374 PolarHBondContact O-N 2.81Å; T372-D374 PolarHBondContact OG1-OD1 2.76Å; T372-L375 PolarHBondContact O-N 3.41Å; T372-L375 VanDerWaalsContact O-N 3.11Å; T372-A376 PolarHBondContact O-N 2.85Å; T372-A376 VanDerWaalsContact O-N 3.13Å; T372-F396 HydrophobicContact CG2-CB 4.08Å; T372-F396 HydrophobicContact CG2-CD1 3.64Å; T372-F396 HydrophobicContact CG2-CE1 4.25Å; T372-F396 HydrophobicContact CG2-CG 3.91Å
373K96.4Very high95.6Very high88 Ų8850 Ų5038%0.38328%0.282SS..Hα-helixtrans-58.6-36.8-171.5-174.9174.5-174.3165.20113.3S325 L375 A376 I377 V385 Y390S325-K373 PolarHBondContact OG-N 2.88Å; K373-L375 VanDerWaalsContact C-N 3.34Å; K373-L375 PolarHBondContact O-N 2.9Å; K373-A376 PolarHBondContact O-N 3.35Å; K373-I377 HydrophobicContact CG-CD1 4Å; K373-I377 HydrophobicContact CG-CG1 4.45Å; K373-I377 WeakPolarHBondContact O-CD1 3.46Å; K373-I377 WeakPolarHBondContact O-CG1 3.43Å; K373-I377 PolarHBondContact O-N 2.78Å; K373-V385 HydrophobicContact CG-CG1 4.41Å; K373-Y390 HydrophobicContact CB-CD1 3.96Å; K373-Y390 HydrophobicContact CB-CD2 3.79Å; K373-Y390 HydrophobicContact CB-CE1 4.16Å; K373-Y390 HydrophobicContact CB-CE2 4.03Å; K373-Y390 HydrophobicContact CB-CG 3.76Å; K373-Y390 HydrophobicContact CD-CD1 4.42Å; K373-Y390 HydrophobicContact CD-CE1 3.82Å; K373-Y390 HydrophobicContact CD-CE2 4.24Å; K373-Y390 HydrophobicContact CG-CD1 3.88Å; K373-Y390 HydrophobicContact CG-CD2 4.46Å; K373-Y390 HydrophobicContact CG-CE1 3.77Å; K373-Y390 HydrophobicContact CG-CE2 4.4Å; K373-Y390 HydrophobicContact CG-CG 4.22Å
374D93.2Very high95.5Very high35 Ų3552.7 Ų52.719%0.18730%0.297CS..Hα-helixtrans-59.4-43.7176.961.8-49.7000112S286 N327 T372 I377 C378S286-D374 WeakPolarHBondContact CB-OD2 3.42Å; S286-D374 PolarHBondContact OG-OD2 2.9Å; N327-D374 WeakPolarHBondContact CB-OD2 3.38Å; N327-D374 PolarHBondContact ND2-OD2 2.94Å; T372-D374 VanDerWaalsContact C-N 3.28Å; T372-D374 VanDerWaalsContact CB-OD1 3.25Å; T372-D374 WeakPolarHBondContact CB-OD1 3.33Å; T372-D374 PolarHBondContact O-N 2.81Å; T372-D374 PolarHBondContact OG1-OD1 2.76Å; D374-I377 WeakPolarHBondContact O-CB 3.38Å; D374-I377 PolarHBondContact O-N 2.93Å; D374-C378 PolarHBondContact O-N 3.2Å; D374-C378 VanDerWaalsContact O-N 3.17Å; D374-C378 PolarHBondContact O-SG 3.15Å
375L94.2Very high95.4Very high0 Ų049.7 Ų49.70%029%0.285CS..Hα-helixtrans-72-39178.9-61.1-177.4000112I117 M289 I366 M371 T372 K373 I377 C378 I379I117-L375 HydrophobicContact CD1-CB 3.9Å; I117-L375 HydrophobicContact CD1-CD2 4.35Å; I117-L375 HydrophobicContact CG1-CD2 4.45Å; M289-L375 HydrophobicContact CG-CD2 3.66Å; M289-L375 HydrophobicContact SD-CD1 4.07Å; M289-L375 HydrophobicContact SD-CD2 4.04Å; I366-L375 HydrophobicContact CD1-CD1 3.7Å; I366-L375 HydrophobicContact CG1-CD1 4.01Å; I366-L375 HydrophobicContact CG2-CD1 4.02Å; M371-L375 HydrophobicContact CB-CB 3.94Å; M371-L375 HydrophobicContact CB-CD1 4.05Å; M371-L375 HydrophobicContact CG-CB 4.05Å; M371-L375 HydrophobicContact SD-CB 3.78Å; T372-L375 PolarHBondContact O-N 3.41Å; T372-L375 VanDerWaalsContact O-N 3.11Å; K373-L375 VanDerWaalsContact C-N 3.34Å; K373-L375 PolarHBondContact O-N 2.9Å; L375-I377 PolarHBondContact O-N 3.38Å; L375-C378 WeakPolarHBondContact O-CB 3.35Å; L375-C378 PolarHBondContact O-N 3.31Å; L375-C378 VanDerWaalsContact O-N 3.08Å; L375-I379 PolarHBondContact O-N 3.23Å
376A95.7Very high95.3Very high3 Ų353 Ų533%0.02531%0.305CS..Hα-helixtrans-60.7-36.1172.800000111.8M371 T372 K373 I379 K380 V385 D389M371-A376 HydrophobicContact CG-CB 4.36Å; M371-A376 HydrophobicContact SD-CB 4.38Å; T372-A376 PolarHBondContact O-N 2.85Å; T372-A376 VanDerWaalsContact O-N 3.13Å; K373-A376 PolarHBondContact O-N 3.35Å; A376-I379 PolarHBondContact O-N 3.29Å; A376-K380 PolarHBondContact O-N 3.42Å; A376-V385 HydrophobicContact CB-CG1 4.19Å; A376-V385 HydrophobicContact CB-CG2 4.3Å; A376-V385 WeakPolarHBondContact O-CG2 3.25Å; A376-D389 HydrophobicContact CB-CB 4.38Å
377I93.8Very high95.3Very high41 Ų4157.2 Ų57.221%0.2132%0.321CS..Hα-helixtrans-63.4-40.2173.6-71.3164.4000111.1K373 D374 L375 I379 G381 M382 V385K373-I377 HydrophobicContact CG-CD1 4Å; K373-I377 HydrophobicContact CG-CG1 4.45Å; K373-I377 WeakPolarHBondContact O-CD1 3.46Å; K373-I377 WeakPolarHBondContact O-CG1 3.43Å; K373-I377 PolarHBondContact O-N 2.78Å; D374-I377 WeakPolarHBondContact O-CB 3.38Å; D374-I377 PolarHBondContact O-N 2.93Å; L375-I377 PolarHBondContact O-N 3.38Å; I377-I379 VanDerWaalsContact C-N 3.27Å; I377-I379 PolarHBondContact O-N 2.93Å; I377-G381 WeakPolarHBondContact O-CA 3.4Å; I377-G381 PolarHBondContact O-N 2.96Å; I377-M382 HydrophobicContact CD1-CE 4.01Å; I377-M382 HydrophobicContact CD1-CG 4.4Å; I377-M382 HydrophobicContact CG1-CB 4.46Å; I377-M382 HydrophobicContact CG2-CB 4.01Å; I377-V385 HydrophobicContact CB-CG2 4.41Å; I377-V385 HydrophobicContact CG1-CB 4.43Å; I377-V385 HydrophobicContact CG1-CG2 3.84Å
378C91.2Very high95.2Very high36 Ų3659.6 Ų59.624%0.24334%0.344CS..Hα-helixtrans-58.9-39.8175.2-59.60000111.8I117 P118 G285 D374 L375I117-C378 HydrophobicContact CG2-CB 4.04Å; P118-C378 WeakPolarHBondContact CG-O 3.34Å; G285-C378 PolarHBondContact O-SG 2.79Å; D374-C378 PolarHBondContact O-N 3.2Å; D374-C378 VanDerWaalsContact O-N 3.17Å; D374-C378 PolarHBondContact O-SG 3.15Å; L375-C378 WeakPolarHBondContact O-CB 3.35Å; L375-C378 PolarHBondContact O-N 3.31Å; L375-C378 VanDerWaalsContact O-N 3.08Å
379I92.8Very high95.2Very high74 Ų7458.4 Ų58.438%0.37933%0.328SS..Hα-helixtrans-76.3-50.6-177.7-60.7175.8000112I117 M371 L375 A376 I377I117-I379 HydrophobicContact CD1-CD1 3.93Å; I117-I379 HydrophobicContact CD1-CG1 4.08Å; M371-I379 HydrophobicContact CE-CD1 3.58Å; M371-I379 HydrophobicContact SD-CD1 3.51Å; M371-I379 VanDerWaalsContact SD-CD1 3.51Å; L375-I379 PolarHBondContact O-N 3.23Å; A376-I379 PolarHBondContact O-N 3.29Å; I377-I379 VanDerWaalsContact C-N 3.27Å; I377-I379 PolarHBondContact O-N 2.93Å
380K94.3Very high95.2Very high84 Ų8457.6 Ų57.637%0.36531%0.312SS..Hα-helixtrans-100.4-14.5-167.5-58.2-175.174.5-176.20113.6A376 N384 V385 D389A376-K380 PolarHBondContact O-N 3.42Å; K380-N384 HydrophobicContact CB-CB 4.19Å; K380-N384 WeakPolarHBondContact CE-O 3.3Å; K380-N384 PolarHBondContact NZ-O 3.5Å; K380-N384 WeakPolarHBondContact O-CB 3.49Å; K380-N384 PolarHBondContact O-ND2 3.23Å; K380-V385 HydrophobicContact CB-CG2 4.07Å; K380-D389 HydrophobicContact CD-CB 4.24Å; K380-D389 IonicContact NZ-OD1 2.73Å; K380-D389 PolarHBondContact NZ-OD1 3.43Å; K380-D389 IonicContact NZ-OD2 3.81Å; K380-D389 PolarHBondContact NZ-OD2 2.58Å
381G92.4Very high95.2Very high29 Ų2955.4 Ų55.430%0.29930%0.304SS..  trans76143.8-165.800000111.8I377 P383 N384I377-G381 WeakPolarHBondContact O-CA 3.4Å; I377-G381 PolarHBondContact O-N 2.96Å; G381-P383 VanDerWaalsContact C-N 3.34Å; G381-P383 VanDerWaalsContact O-N 3.16Å; G381-N384 PolarHBondContact O-N 3.49Å
382M90.6Very high95.3Very high138 Ų13856 Ų5668%0.6831%0.307SS*.G310 helixtrans-51.1-40.3-172.9-172.2177.1-77.200115.3I377 N384I377-M382 HydrophobicContact CD1-CE 4.01Å; I377-M382 HydrophobicContact CD1-CG 4.4Å; I377-M382 HydrophobicContact CG1-CB 4.46Å; I377-M382 HydrophobicContact CG2-CB 4.01Å; M382-N384 VanDerWaalsContact C-N 3.26Å; M382-N384 PolarHBondContact O-N 3.11Å
383P94.2Very high95.3Very high123 Ų12356 Ų5680%0.79931%0.307SS*.G310 helixtrans-66.7-22.3179.8-22.335.1000114.9G381G381-P383 VanDerWaalsContact C-N 3.34Å; G381-P383 VanDerWaalsContact O-N 3.16Å
384N96.1Very high95.3Very high103 Ų10355.2 Ų55.255%0.55130%0.304SS*.G310 helixtrans-103.81.8-171.3-55.9-44.2000113.4K380 G381 M382K380-N384 HydrophobicContact CB-CB 4.19Å; K380-N384 WeakPolarHBondContact CE-O 3.3Å; K380-N384 PolarHBondContact NZ-O 3.5Å; K380-N384 WeakPolarHBondContact O-CB 3.49Å; K380-N384 PolarHBondContact O-ND2 3.23Å; G381-N384 PolarHBondContact O-N 3.49Å; M382-N384 VanDerWaalsContact C-N 3.26Å; M382-N384 PolarHBondContact O-N 3.11Å
385V96.4Very high95.6Very high26 Ų2657.2 Ų57.216%0.15831%0.312CS..  trans-84.5123.3179175.10000110.1K373 A376 I377 K380 D389 Y390K373-V385 HydrophobicContact CG-CG1 4.41Å; A376-V385 HydrophobicContact CB-CG1 4.19Å; A376-V385 HydrophobicContact CB-CG2 4.3Å; A376-V385 WeakPolarHBondContact O-CG2 3.25Å; I377-V385 HydrophobicContact CB-CG2 4.41Å; I377-V385 HydrophobicContact CG1-CB 4.43Å; I377-V385 HydrophobicContact CG1-CG2 3.84Å; K380-V385 HydrophobicContact CB-CG2 4.07Å; V385-D389 HydrophobicContact CG1-CB 4.38Å; V385-Y390 HydrophobicContact CG1-CD1 3.63Å; V385-Y390 HydrophobicContact CG1-CE1 3.85Å
386T96.3Very high95.8Very high70 Ų7057.2 Ų57.243%0.42931%0.312SS..  trans-109.2165.7175.366.60000110.4S388 D389 Y390T386-S388 PolarHBondContact O-N 2.97Å; T386-S388 PolarHBondContact OG1-OG 2.91Å; T386-S388 VanDerWaalsContact OG1-OG 3.1Å; T386-D389 PolarHBondContact N-OD2 3.38Å; T386-D389 WeakPolarHBondContact O-CB 3.38Å; T386-D389 PolarHBondContact O-N 3.2Å; T386-D389 VanDerWaalsContact OG1-CG 3.32Å; T386-D389 PolarHBondContact OG1-OD2 2.94Å; T386-Y390 WeakPolarHBondContact O-CD1 3.43Å; T386-Y390 WeakPolarHBondContact O-CE1 3.41Å
387R96.3Very high95.9Very high89 Ų8957 Ų5734%0.33631%0.311SS..G310 helixtrans-60.6-29.7-177.7178.856.5-174.683.7-0.2113.4E323 D389 Y390 N392 E395E323-R387 VanDerWaalsContact CD-NE 3.29Å; E323-R387 WeakPolarHBondContact OE1-CD 3.42Å; E323-R387 IonicContact OE1-CZ 2.88Å; E323-R387 IonicContact OE1-NE 3.49Å; E323-R387 PolarHBondContact OE1-NE 2.92Å; E323-R387 IonicContact OE1-NH2 2.81Å; E323-R387 IonicContact OE2-CZ 2.85Å; E323-R387 VanDerWaalsContact OE2-CZ 3.3Å; E323-R387 IonicContact OE2-NE 2.72Å; E323-R387 PolarHBondContact OE2-NE 2.93Å; E323-R387 VanDerWaalsContact OE2-NE 3.11Å; E323-R387 IonicContact OE2-NH2 2.71Å; E323-R387 PolarHBondContact OE2-NH2 3.41Å; R387-D389 VanDerWaalsContact C-N 3.26Å; R387-D389 PolarHBondContact O-N 2.88Å; R387-Y390 PolarHBondContact NH1-O 2.77Å; R387-Y390 VanDerWaalsContact O-O 3.06Å; R387-N392 PolarHBondContact NH2-ND2 3.35Å; R387-E395 IonicContact CZ-OE2 2.68Å; R387-E395 IonicContact NH1-OE2 3.11Å; R387-E395 IonicContact NH2-OE1 3.84Å; R387-E395 PolarHBondContact NH2-OE1 3.46Å; R387-E395 IonicContact NH2-OE2 2.77Å; R387-E395 PolarHBondContact NH2-OE2 3.22Å
388S96.8Very high96.2Very high109 Ų10958.7 Ų58.776%0.76232%0.32SS*.G310 helixtrans-74.4-13.1177.948.10000114T386 Y390T386-S388 PolarHBondContact O-N 2.97Å; T386-S388 PolarHBondContact OG1-OG 2.91Å; T386-S388 VanDerWaalsContact OG1-OG 3.1Å; S388-Y390 VanDerWaalsContact C-N 3.32Å
389D97.2Very high96.5Very high43 Ų4358.8 Ų58.823%0.2332%0.316CS..G310 helixtrans-82.8-9.7-178.6-63.5-52.7000113.3A376 K380 V385 T386 R387A376-D389 HydrophobicContact CB-CB 4.38Å; K380-D389 HydrophobicContact CD-CB 4.24Å; K380-D389 IonicContact NZ-OD1 2.73Å; K380-D389 PolarHBondContact NZ-OD1 3.43Å; K380-D389 IonicContact NZ-OD2 3.81Å; K380-D389 PolarHBondContact NZ-OD2 2.58Å; V385-D389 HydrophobicContact CG1-CB 4.38Å; T386-D389 PolarHBondContact N-OD2 3.38Å; T386-D389 WeakPolarHBondContact O-CB 3.38Å; T386-D389 PolarHBondContact O-N 3.2Å; T386-D389 VanDerWaalsContact OG1-CG 3.32Å; T386-D389 PolarHBondContact OG1-OD2 2.94Å; R387-D389 VanDerWaalsContact C-N 3.26Å; R387-D389 PolarHBondContact O-N 2.88Å
390Y98Very high96.8Very high27 Ų2755.3 Ų55.311%0.10630%0.298CS..SBendtrans-145.9163.3-176.866.1-95.8000111.9M371 K373 V385 T386 R387 S388M371-Y390 CarbonylContact O-C 3.52Å; M371-Y390 VanDerWaalsContact O-CA 3.26Å; M371-Y390 WeakPolarHBondContact O-CA 3.15Å; M371-Y390 WeakPolarHBondContact O-CB 3.5Å; K373-Y390 HydrophobicContact CB-CD1 3.96Å; K373-Y390 HydrophobicContact CB-CD2 3.79Å; K373-Y390 HydrophobicContact CB-CE1 4.16Å; K373-Y390 HydrophobicContact CB-CE2 4.03Å; K373-Y390 HydrophobicContact CB-CG 3.76Å; K373-Y390 HydrophobicContact CD-CD1 4.42Å; K373-Y390 HydrophobicContact CD-CE1 3.82Å; K373-Y390 HydrophobicContact CD-CE2 4.24Å; K373-Y390 HydrophobicContact CG-CD1 3.88Å; K373-Y390 HydrophobicContact CG-CD2 4.46Å; K373-Y390 HydrophobicContact CG-CE1 3.77Å; K373-Y390 HydrophobicContact CG-CE2 4.4Å; K373-Y390 HydrophobicContact CG-CG 4.22Å; V385-Y390 HydrophobicContact CG1-CD1 3.63Å; V385-Y390 HydrophobicContact CG1-CE1 3.85Å; T386-Y390 WeakPolarHBondContact O-CD1 3.43Å; T386-Y390 WeakPolarHBondContact O-CE1 3.41Å; R387-Y390 PolarHBondContact NH1-O 2.77Å; R387-Y390 VanDerWaalsContact O-O 3.06Å; S388-Y390 VanDerWaalsContact C-N 3.32Å
391L98.5Very high97Very high37 Ų3752.2 Ų52.219%0.19429%0.289CS..  trans-100.5146.7170.9-64.4-178.7000110.4S325 F370 M371 E395 F396 K399S325-L391 PolarHBondContact OG-O 3.15Å; F370-L391 HydrophobicContact CB-CD1 4.08Å; F370-L391 HydrophobicContact CD1-CD1 4.07Å; M371-L391 PolarHBondContact O-N 2.89Å; L391-E395 HydrophobicContact CB-CB 4.04Å; L391-E395 HydrophobicContact CD2-CB 4.22Å; L391-F396 HydrophobicContact CB-CB 3.92Å; L391-F396 HydrophobicContact CD1-CB 4.39Å; L391-F396 HydrophobicContact CD1-CD2 4.16Å; L391-K399 HydrophobicContact CD1-CB 4.17Å; L391-K399 HydrophobicContact CD1-CG 4.5Å
392N98.3Very high97.3Very high20 Ų2055.5 Ų55.511%0.10730%0.296CS..  trans-69.5168.9167.774.539.7000110.4E323 T324 R387 F394 E395 F396E323-N392 HydrophobicContact CG-CB 3.6Å; E323-N392 WeakPolarHBondContact OE2-CB 3.42Å; E323-N392 PolarHBondContact OE2-ND2 3.36Å; T324-N392 WeakPolarHBondContact O-CA 3.19Å; T324-N392 WeakPolarHBondContact O-CB 3.26Å; R387-N392 PolarHBondContact NH2-ND2 3.35Å; N392-F394 PolarHBondContact O-N 3.07Å; N392-F394 PolarHBondContact OD1-N 3.09Å; N392-F394 VanDerWaalsContact OD1-N 3.1Å; N392-E395 VanDerWaalsContact CG-CD 3.44Å; N392-E395 PolarHBondContact N-OE2 3.38Å; N392-E395 PolarHBondContact ND2-OE1 3.27Å; N392-E395 PolarHBondContact ND2-OE2 2.94Å; N392-E395 PolarHBondContact O-N 3.17Å; N392-E395 WeakPolarHBondContact OD1-CB 3.17Å; N392-E395 WeakPolarHBondContact OD1-CG 3.4Å; N392-E395 PolarHBondContact OD1-N 2.85Å; N392-F396 WeakPolarHBondContact O-CB 3.43Å; N392-F396 PolarHBondContact O-N 3.35Å
393T98.1Very high97.7Very high0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-53.9-41.9-174.3-48.80000112.4M18 I22 T324 T326 L397M18-T393 HydrophobicContact CE-CG2 4.04Å; I22-T393 HydrophobicContact CD1-CG2 3.8Å; I22-T393 HydrophobicContact CG1-CG2 3.64Å; T324-T393 PolarHBondContact O-N 3.33Å; T324-T393 PolarHBondContact O-OG1 3.45Å; T324-T393 PolarHBondContact OG1-OG1 2.9Å; T326-T393 PolarHBondContact N-OG1 2.99Å; T393-L397 HydrophobicContact CG2-CD1 4.37Å; T393-L397 WeakPolarHBondContact O-CG 3.34Å; T393-L397 PolarHBondContact O-N 3.17Å
394F98.3Very high97.8Very high73 Ų7344.8 Ų44.832%0.3224%0.235SC..Hα-helixtrans-76.7-47.2-174-56.7-90.7000111.1V21 L25 N392 F396 L397 D398V21-F394 HydrophobicContact CG1-CE1 4.28Å; V21-F394 HydrophobicContact CG1-CZ 4.3Å; L25-F394 HydrophobicContact CD1-CD1 3.57Å; L25-F394 HydrophobicContact CD1-CE1 3.66Å; N392-F394 PolarHBondContact O-N 3.07Å; N392-F394 PolarHBondContact OD1-N 3.09Å; N392-F394 VanDerWaalsContact OD1-N 3.1Å; F394-F396 VanDerWaalsContact C-N 3.27Å; F394-F396 PolarHBondContact O-N 2.89Å; F394-L397 PolarHBondContact O-N 2.87Å; F394-D398 PolarHBondContact O-N 2.83Å
395E98.5Very high97.9Very high76 Ų7646.9 Ų46.936%0.35524%0.239SC..Hα-helixtrans-57.5-40.6175.1-70.9166.7172.900111.8R387 L391 N392 D398 K399R387-E395 IonicContact CZ-OE2 2.68Å; R387-E395 IonicContact NH1-OE2 3.11Å; R387-E395 IonicContact NH2-OE1 3.84Å; R387-E395 PolarHBondContact NH2-OE1 3.46Å; R387-E395 IonicContact NH2-OE2 2.77Å; R387-E395 PolarHBondContact NH2-OE2 3.22Å; L391-E395 HydrophobicContact CB-CB 4.04Å; L391-E395 HydrophobicContact CD2-CB 4.22Å; N392-E395 VanDerWaalsContact CG-CD 3.44Å; N392-E395 PolarHBondContact N-OE2 3.38Å; N392-E395 PolarHBondContact ND2-OE1 3.27Å; N392-E395 PolarHBondContact ND2-OE2 2.94Å; N392-E395 PolarHBondContact O-N 3.17Å; N392-E395 WeakPolarHBondContact OD1-CB 3.17Å; N392-E395 WeakPolarHBondContact OD1-CG 3.4Å; N392-E395 PolarHBondContact OD1-N 2.85Å; E395-D398 PolarHBondContact O-N 2.8Å; E395-K399 WeakPolarHBondContact O-CB 3.45Å; E395-K399 PolarHBondContact O-N 3.25Å
396F98.6Very high97.9Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-67.7-42.8178.8-173.6-121.6000112P328 I329 T365 I366 F370 T372 L391 N392 F394 D398 K399 L400P328-F396 HydrophobicContact CG-CD1 3.63Å; P328-F396 HydrophobicContact CG-CE1 3.88Å; I329-F396 HydrophobicContact CD1-CE1 3.77Å; I329-F396 HydrophobicContact CD1-CZ 3.96Å; I329-F396 HydrophobicContact CG1-CE1 3.98Å; I329-F396 HydrophobicContact CG1-CZ 4.37Å; T365-F396 HydrophobicContact CG2-CE2 3.92Å; I366-F396 HydrophobicContact CD1-CZ 4.42Å; I366-F396 HydrophobicContact CG1-CE2 4.45Å; I366-F396 HydrophobicContact CG1-CZ 3.96Å; F370-F396 WeakPolarHBondContact O-CE2 3.37Å; T372-F396 HydrophobicContact CG2-CB 4.08Å; T372-F396 HydrophobicContact CG2-CD1 3.64Å; T372-F396 HydrophobicContact CG2-CE1 4.25Å; T372-F396 HydrophobicContact CG2-CG 3.91Å; L391-F396 HydrophobicContact CB-CB 3.92Å; L391-F396 HydrophobicContact CD1-CB 4.39Å; L391-F396 HydrophobicContact CD1-CD2 4.16Å; N392-F396 WeakPolarHBondContact O-CB 3.43Å; N392-F396 PolarHBondContact O-N 3.35Å; F394-F396 VanDerWaalsContact C-N 3.27Å; F394-F396 PolarHBondContact O-N 2.89Å; F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 PolarHBondContact O-N 3.08Å; F396-K399 PolarHBondContact O-N 3.32Å; F396-L400 HydrophobicContact CD1-CD1 4.08Å; F396-L400 HydrophobicContact CE1-CD1 3.78Å; F396-L400 HydrophobicContact CE1-CG 4.39Å; F396-L400 HydrophobicContact CE2-CD2 4.5Å; F396-L400 HydrophobicContact CE2-CG 4.44Å; F396-L400 HydrophobicContact CZ-CD1 4.11Å; F396-L400 HydrophobicContact CZ-CD2 4.26Å; F396-L400 HydrophobicContact CZ-CG 4.29Å; F396-L400 WeakPolarHBondContact O-CG 3.49Å; F396-L400 PolarHBondContact O-N 3.42Å
397L98.4Very high97.8Very high0 Ų048.9 Ų48.90%024%0.243CC..Hα-helixtrans-63.4-39174.4-79.3165.4000112.4I22 L25 I26 L30 P328 I332 T393 F394 K399 L400 A401I22-L397 HydrophobicContact CG2-CD1 4.48Å; L25-L397 HydrophobicContact CB-CD1 3.74Å; L25-L397 HydrophobicContact CD1-CD1 3.73Å; L25-L397 HydrophobicContact CG-CD1 4.41Å; I26-L397 HydrophobicContact CG1-CD2 4.02Å; L30-L397 HydrophobicContact CD1-CD2 4.01Å; P328-L397 HydrophobicContact CB-CD1 4.48Å; P328-L397 HydrophobicContact CB-CD2 3.9Å; P328-L397 HydrophobicContact CB-CG 4.23Å; P328-L397 HydrophobicContact CG-CD2 3.93Å; P328-L397 HydrophobicContact CG-CG 4.07Å; I332-L397 HydrophobicContact CD1-CD2 4.14Å; T393-L397 HydrophobicContact CG2-CD1 4.37Å; T393-L397 WeakPolarHBondContact O-CG 3.34Å; T393-L397 PolarHBondContact O-N 3.17Å; F394-L397 PolarHBondContact O-N 2.87Å; L397-K399 VanDerWaalsContact C-N 3.33Å; L397-L400 PolarHBondContact O-N 3.26Å; L397-A401 PolarHBondContact O-N 3.02Å
398D98.6Very high97.7Very high76 Ų7647 Ų4741%0.40624%0.239SC..Hα-helixtrans-62.3-42.2173.4-74.9-25.9000111.3K29 F394 E395 F396 L400 A401 E402K29-D398 VanDerWaalsContact CE-OD1 3.24Å; K29-D398 WeakPolarHBondContact CE-OD1 3.5Å; K29-D398 IonicContact NZ-OD1 3.7Å; K29-D398 PolarHBondContact NZ-OD1 3.13Å; F394-D398 PolarHBondContact O-N 2.83Å; E395-D398 PolarHBondContact O-N 2.8Å; F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 PolarHBondContact O-N 3.08Å; D398-L400 VanDerWaalsContact C-N 3.35Å; D398-L400 PolarHBondContact O-N 3.2Å; D398-A401 PolarHBondContact O-N 2.79Å; D398-E402 PolarHBondContact O-N 3.37Å
399K98.7Very high97.4Very high38 Ų3845.8 Ų45.817%0.16524%0.236CC..Hα-helixtrans-63.9-40.1177-170.864-169.3167.30112.4T365 F370 L391 E395 F396 L397 E402 N403T365-K399 HydrophobicContact CG2-CG 4.01Å; F370-K399 HydrophobicContact CB-CG 4.23Å; F370-K399 HydrophobicContact CD1-CD 4.49Å; F370-K399 HydrophobicContact CD1-CG 4.34Å; F370-K399 HydrophobicContact CG-CG 4.11Å; L391-K399 HydrophobicContact CD1-CB 4.17Å; L391-K399 HydrophobicContact CD1-CG 4.5Å; E395-K399 WeakPolarHBondContact O-CB 3.45Å; E395-K399 PolarHBondContact O-N 3.25Å; F396-K399 PolarHBondContact O-N 3.32Å; L397-K399 VanDerWaalsContact C-N 3.33Å; K399-E402 WeakPolarHBondContact CD-OE2 3.35Å; K399-E402 VanDerWaalsContact NZ-CD 3.28Å; K399-E402 IonicContact NZ-OE1 3.3Å; K399-E402 PolarHBondContact NZ-OE1 2.86Å; K399-E402 IonicContact NZ-OE2 2.85Å; K399-E402 PolarHBondContact NZ-OE2 2.96Å; K399-E402 PolarHBondContact O-N 3.1Å; K399-N403 WeakPolarHBondContact O-CB 3.36Å; K399-N403 PolarHBondContact O-N 2.95Å
400L98.6Very high96.9Very high0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-63-41.9173.8-69.2173.1000111.6L30 P328 I329 I332 V361 T365 F396 L397 D398 N403 L404L30-L400 HydrophobicContact CD2-CB 4.32Å; P328-L400 HydrophobicContact CG-CD1 4.42Å; I329-L400 HydrophobicContact CD1-CD1 4.12Å; I332-L400 HydrophobicContact CD1-CD1 3.59Å; V361-L400 HydrophobicContact CG1-CD2 4.19Å; T365-L400 HydrophobicContact CG2-CD2 3.92Å; F396-L400 HydrophobicContact CD1-CD1 4.08Å; F396-L400 HydrophobicContact CE1-CD1 3.78Å; F396-L400 HydrophobicContact CE1-CG 4.39Å; F396-L400 HydrophobicContact CE2-CD2 4.5Å; F396-L400 HydrophobicContact CE2-CG 4.44Å; F396-L400 HydrophobicContact CZ-CD1 4.11Å; F396-L400 HydrophobicContact CZ-CD2 4.26Å; F396-L400 HydrophobicContact CZ-CG 4.29Å; F396-L400 WeakPolarHBondContact O-CG 3.49Å; F396-L400 PolarHBondContact O-N 3.42Å; L397-L400 PolarHBondContact O-N 3.26Å; D398-L400 VanDerWaalsContact C-N 3.35Å; D398-L400 PolarHBondContact O-N 3.2Å; L400-N403 PolarHBondContact O-N 3.3Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.3Å; L400-L404 PolarHBondContact O-N 3.34Å
401A98.5Very high96Very high20 Ų2050.2 Ų50.217%0.16526%0.264CS..Hα-helixtrans-65.3-40.8178.200000112.5K29 L30 L397 D398 K405K29-A401 HydrophobicContact CB-CB 4.17Å; L30-A401 HydrophobicContact CD2-CB 3.77Å; L397-A401 PolarHBondContact O-N 3.02Å; D398-A401 PolarHBondContact O-N 2.79Å; A401-K405 PolarHBondContact O-N 3.05Å; A401-K405 VanDerWaalsContact O-N 3.1Å
402E98.3Very high94.6Very high98 Ų9854.1 Ų54.146%0.45829%0.291SS..Hα-helixtrans-58-52.6172.6-174.9-162.3157.900110.8D398 K399 L404 K405 I406D398-E402 PolarHBondContact O-N 3.37Å; K399-E402 WeakPolarHBondContact CD-OE2 3.35Å; K399-E402 VanDerWaalsContact NZ-CD 3.28Å; K399-E402 IonicContact NZ-OE1 3.3Å; K399-E402 PolarHBondContact NZ-OE1 2.86Å; K399-E402 IonicContact NZ-OE2 2.85Å; K399-E402 PolarHBondContact NZ-OE2 2.96Å; K399-E402 PolarHBondContact O-N 3.1Å; E402-L404 PolarHBondContact O-N 2.67Å; E402-K405 WeakPolarHBondContact O-CB 3.45Å; E402-K405 PolarHBondContact O-N 3.4Å; E402-I406 HydrophobicContact CG-CD1 4.35Å; E402-I406 WeakPolarHBondContact O-CG1 3.49Å; E402-I406 PolarHBondContact O-N 3.46Å
403N98.3Very high93.3Very high35 Ų3563 Ų6319%0.18733%0.329CS..Hα-helixtrans-66.2-36.6-177.5-72.3-8.8000112.2V361 T365 K399 L400 I406 K407V361-N403 HydrophobicContact CG1-CB 3.77Å; T365-N403 PolarHBondContact OG1-ND2 2.96Å; K399-N403 WeakPolarHBondContact O-CB 3.36Å; K399-N403 PolarHBondContact O-N 2.95Å; L400-N403 PolarHBondContact O-N 3.3Å; N403-I406 PolarHBondContact O-N 2.7Å; N403-K407 WeakPolarHBondContact O-CB 3.49Å; N403-K407 PolarHBondContact O-N 2.89Å
404L97.9Very high91.8Very high0 Ų070.3 Ų70.30%037%0.367CS..Hα-helixtrans-62.6-44.4175.5-179.164.6000111.6L30 Y34 F354 L358 V361 L400 E402 I406 K407 L408L30-L404 HydrophobicContact CD2-CD2 4.21Å; Y34-L404 HydrophobicContact CD2-CD2 4.06Å; Y34-L404 HydrophobicContact CE2-CD2 3.53Å; Y34-L404 HydrophobicContact CE2-CG 4.27Å; F354-L404 HydrophobicContact CE2-CD2 4.36Å; L358-L404 HydrophobicContact CB-CD1 4.22Å; L358-L404 HydrophobicContact CD1-CD1 4.23Å; L358-L404 HydrophobicContact CD1-CD2 4.03Å; V361-L404 HydrophobicContact CG1-CB 4.27Å; V361-L404 HydrophobicContact CG2-CB 4.44Å; V361-L404 HydrophobicContact CG2-CD1 4.17Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.3Å; L400-L404 PolarHBondContact O-N 3.34Å; E402-L404 PolarHBondContact O-N 2.67Å; L404-I406 VanDerWaalsContact C-N 3.28Å; L404-I406 PolarHBondContact O-N 3.41Å; L404-K407 PolarHBondContact O-N 3.22Å; L404-L408 HydrophobicContact CD1-CD1 3.9Å; L404-L408 HydrophobicContact CD1-CG 4Å; L404-L408 HydrophobicContact CG-CD1 3.89Å; L404-L408 HydrophobicContact CG-CG 4.34Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.06Å
405K96.6Very high91.5Very high148 Ų14870.2 Ų70.264%0.64337%0.369SS*.Hα-helixtrans-59-41.7176.6-175.9179.6178.8-177.30111.5A401 E402 A409A401-K405 PolarHBondContact O-N 3.05Å; A401-K405 VanDerWaalsContact O-N 3.1Å; E402-K405 WeakPolarHBondContact O-CB 3.45Å; E402-K405 PolarHBondContact O-N 3.4Å; K405-A409 VanDerWaalsContact O-CB 3.32Å; K405-A409 WeakPolarHBondContact O-CB 3.41Å; K405-A409 PolarHBondContact O-N 3.31Å; K405-A409 VanDerWaalsContact O-N 3.16Å
406I96.3Very high91.2Very high90 Ų9069.8 Ų69.846%0.46237%0.37SS..Hα-helixtrans-65.9-46.5176.5-64.4165.9000110.7E402 N403 L404 L408 A409 T410E402-I406 HydrophobicContact CG-CD1 4.35Å; E402-I406 WeakPolarHBondContact O-CG1 3.49Å; E402-I406 PolarHBondContact O-N 3.46Å; N403-I406 PolarHBondContact O-N 2.7Å; L404-I406 VanDerWaalsContact C-N 3.28Å; L404-I406 PolarHBondContact O-N 3.41Å; I406-L408 PolarHBondContact O-N 3.44Å; I406-A409 PolarHBondContact O-N 3.02Å; I406-T410 WeakPolarHBondContact O-CG2 3.4Å; I406-T410 PolarHBondContact O-N 2.68Å; I406-T410 VanDerWaalsContact O-N 3.16Å; I406-T410 PolarHBondContact O-OG1 3.11Å
407K95.5Very high90.7Very high48 Ų4873.7 Ų73.721%0.20939%0.391CS..Hα-helixtrans-58.7-49.2-179.9-166.875.8166.5-167.40111.6A357 V361 E364 N403 L404 A409 T410 Q411A357-K407 HydrophobicContact CB-CG 4.34Å; V361-K407 HydrophobicContact CG2-CB 3.63Å; V361-K407 HydrophobicContact CG2-CD 4.34Å; V361-K407 HydrophobicContact CG2-CG 3.81Å; E364-K407 IonicContact OE1-NZ 3.88Å; E364-K407 PolarHBondContact OE1-NZ 2.75Å; E364-K407 IonicContact OE2-NZ 2.75Å; E364-K407 PolarHBondContact OE2-NZ 2.71Å; N403-K407 WeakPolarHBondContact O-CB 3.49Å; N403-K407 PolarHBondContact O-N 2.89Å; L404-K407 PolarHBondContact O-N 3.22Å; K407-A409 VanDerWaalsContact C-N 3.3Å; K407-A409 PolarHBondContact O-N 3.47Å; K407-T410 PolarHBondContact O-N 2.77Å; K407-T410 PolarHBondContact O-OG1 2.73Å; K407-T410 VanDerWaalsContact O-OG1 3.11Å; K407-Q411 WeakPolarHBondContact O-CG 3.37Å; K407-Q411 PolarHBondContact O-N 3.39Å; K407-Q411 VanDerWaalsContact O-N 3.08Å
408L93.3Very high90.3Very high49 Ų4978.1 Ų78.126%0.25741%0.414SS..Hα-helixtrans-69.8-26.4-179.1-65.4176.1000113Y34 F354 A357 L404 I406Y34-L408 HydrophobicContact CD1-CD1 3.56Å; Y34-L408 HydrophobicContact CE1-CD1 3.62Å; Y34-L408 HydrophobicContact CG-CD1 4.1Å; F354-L408 HydrophobicContact CD2-CD1 3.93Å; F354-L408 HydrophobicContact CD2-CD2 4.34Å; F354-L408 HydrophobicContact CE2-CD1 4.06Å; A357-L408 HydrophobicContact CB-CD2 3.88Å; L404-L408 HydrophobicContact CD1-CD1 3.9Å; L404-L408 HydrophobicContact CD1-CG 4Å; L404-L408 HydrophobicContact CG-CD1 3.89Å; L404-L408 HydrophobicContact CG-CG 4.34Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.06Å; I406-L408 PolarHBondContact O-N 3.44Å
409A90.9Very high89.8Confident84 Ų8478.2 Ų78.269%0.69441%0.414SS*.Hα-helixtrans-76.8-23.2175.200000113.5K405 I406 K407K405-A409 VanDerWaalsContact O-CB 3.32Å; K405-A409 WeakPolarHBondContact O-CB 3.41Å; K405-A409 PolarHBondContact O-N 3.31Å; K405-A409 VanDerWaalsContact O-N 3.16Å; I406-A409 PolarHBondContact O-N 3.02Å; K407-A409 VanDerWaalsContact C-N 3.3Å; K407-A409 PolarHBondContact O-N 3.47Å
410T86.7Confident89.2Confident106 Ų10680.9 Ų80.965%0.6543%0.431SS*.Hα-helixtrans-102.9-14.5-175.251.70000113.5I406 K407I406-T410 WeakPolarHBondContact O-CG2 3.4Å; I406-T410 PolarHBondContact O-N 2.68Å; I406-T410 VanDerWaalsContact O-N 3.16Å; I406-T410 PolarHBondContact O-OG1 3.11Å; K407-T410 PolarHBondContact O-N 2.77Å; K407-T410 PolarHBondContact O-OG1 2.73Å; K407-T410 VanDerWaalsContact O-OG1 3.11Å
411Q78.8Confident88.5Confident57 Ų5786.6 Ų86.627%0.26646%0.461SS..SBendtrans-69.8141.6174.5-83.1-178.7-14.400111.8K407 K413K407-Q411 WeakPolarHBondContact O-CG 3.37Å; K407-Q411 PolarHBondContact O-N 3.39Å; K407-Q411 VanDerWaalsContact O-N 3.08Å; Q411-K413 PolarHBondContact O-N 3.1Å
412P69.3Low87.7Confident119 Ų11991.8 Ų91.877%0.77348%0.484SS*.PPolyproline II helixtrans-56.7134.5169.1-1930.5000109.9
413K71.8Confident86.8Confident207 Ų20791.3 Ų91.390%0.949%0.486SS*.PPolyproline II helixtrans-67136.9169.7-65.3-174179.3-177.30108.7Q411Q411-K413 PolarHBondContact O-N 3.1Å
414L66.8Low85.8Confident152 Ų15296.4 Ų96.480%0.79651%0.514SS*.  trans-60.60178-81.6164.6000112.6A349 E350 V353A349-L414 HydrophobicContact CB-CD1 3.96Å; A349-L414 WeakPolarHBondContact O-CD1 3.36Å; E350-L414 HydrophobicContact CB-CD1 4.43Å; E350-L414 HydrophobicContact CG-CD1 4.04Å; V353-L414 HydrophobicContact CB-CD1 4.12Å; V353-L414 HydrophobicContact CG2-CD1 3.73Å; V353-L414 HydrophobicContact CG2-CD2 4.19Å; V353-L414 HydrophobicContact CG2-CG 4.2Å

Retrieved 414 of 414 residues in 100.1 ms (Link to these results)

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