A0A5K4EW33_SCHMA Loading...

Glycerol-3-phosphate dehydrogenase [NAD(+)]

AlphaFold DB , UniProt , Accession A0A5K4EW33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M89.8Confident94.6Very high170 Ų17032.5 Ų32.584%0.83719%0.187SC*.  0140.40-70.9-176.7-76.600107.6E29M1-E29 CarbonylContact C-O 3.57Å; M1-E29 VanDerWaalsContact CA-O 3.27Å; M1-E29 WeakPolarHBondContact CA-O 3.42Å
2K96.2Very high94.3Very high91 Ų9142.5 Ų42.540%0.39622%0.219SC..EExtended strand (participates in β ladder)trans-75.5128.4-176.3-66.7171.5-176.6163.80110.9E29 F30 C31 D85K2-E29 PolarHBondContact N-O 3.4Å; K2-E29 IonicContact NZ-OE2 3.85Å; K2-F30 HydrophobicContact CB-CD1 3.62Å; K2-F30 HydrophobicContact CB-CE1 3.79Å; K2-F30 HydrophobicContact CD-CD1 4.43Å; K2-F30 HydrophobicContact CD-CE1 3.83Å; K2-F30 HydrophobicContact CD-CZ 4.25Å; K2-F30 HydrophobicContact CG-CE1 4.47Å; K2-F30 CarbonylContact O-C 3.48Å; K2-F30 WeakPolarHBondContact O-CA 3.36Å; K2-C31 PolarHBondContact O-N 3.45Å; K2-D85 VanDerWaalsContact CA-OD2 3.25Å; K2-D85 WeakPolarHBondContact CA-OD2 3.46Å; K2-D85 HydrophobicContact CB-CB 4.27Å
3Q97.7Very high94.2Very high11 Ų1139.4 Ų39.45%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-90.9131.1176.9-177.858.96100110.5C31 R33 D83 D85 I86Q3-C31 VanDerWaalsContact OE1-CB 3.29Å; Q3-C31 PolarHBondContact OE1-SG 3.1Å; Q3-R33 PolarHBondContact NE2-O 3.29Å; Q3-D83 VanDerWaalsContact CB-O 3.29Å; Q3-D83 WeakPolarHBondContact CB-O 3.48Å; Q3-D85 PolarHBondContact N-OD2 3.39Å; Q3-D85 PolarHBondContact O-N 3.43Å; Q3-I86 PolarHBondContact O-N 3.38Å; Q3-I86 VanDerWaalsContact O-N 3.1Å
4V98Very high94.3Very high6 Ų636.7 Ų36.74%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-105133.8177.5-1720000109.8I20 V24 F30 I34 V35 I86 V88V4-I20 HydrophobicContact CB-CG2 4.39Å; V4-I20 HydrophobicContact CG1-CG2 3.91Å; V4-V24 HydrophobicContact CG2-CG1 4.15Å; V4-F30 HydrophobicContact CG2-CD1 3.77Å; V4-F30 HydrophobicContact CG2-CE1 4.21Å; V4-I34 HydrophobicContact CB-CG2 3.97Å; V4-I34 WeakPolarHBondContact O-CA 3.18Å; V4-V35 PolarHBondContact O-N 3.27Å; V4-I86 WeakPolarHBondContact CA-O 3.45Å; V4-I86 HydrophobicContact CG1-CB 4.4Å; V4-I86 HydrophobicContact CG1-CG2 4.48Å; V4-I86 HydrophobicContact CG2-CB 4.34Å; V4-V88 HydrophobicContact CG1-CG2 4.01Å
5A97.9Very high94.3Very high1 Ų136.5 Ų36.51%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-117143.1169.600000110.8V35 V80 A84 I86 V88A5-V35 CarbonylContact C-O 3.48Å; A5-V35 WeakPolarHBondContact CA-O 3.43Å; A5-V80 HydrophobicContact CB-CG1 3.83Å; A5-V80 WeakPolarHBondContact CB-O 3.35Å; A5-A84 HydrophobicContact CB-CB 3.49Å; A5-A84 VanDerWaalsContact CB-CB 3.49Å; A5-I86 PolarHBondContact N-O 3.38Å; A5-V88 WeakPolarHBondContact O-CB 3.11Å; A5-V88 PolarHBondContact O-N 3.37Å
6V97.3Very high94.4Very high0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-117.9121.6175.8-177.70000109S13 A17 I20 I34 V35 M36 Y37 V88 A90V6-S13 WeakPolarHBondContact CG1-OG 3.49Å; V6-A17 HydrophobicContact CG2-CB 4.4Å; V6-I20 HydrophobicContact CG2-CD1 4.01Å; V6-I34 HydrophobicContact CG2-CD1 4.05Å; V6-V35 PolarHBondContact N-O 3.24Å; V6-M36 HydrophobicContact CB-CG 4.43Å; V6-M36 HydrophobicContact CG1-CE 4.16Å; V6-M36 CarbonylContact O-C 3.44Å; V6-M36 VanDerWaalsContact O-CA 3.26Å; V6-M36 WeakPolarHBondContact O-CA 3.43Å; V6-Y37 PolarHBondContact O-N 2.98Å; V6-V88 CarbonylContact C-O 3.57Å; V6-V88 HydrophobicContact CG1-CG1 4.44Å; V6-V88 HydrophobicContact CG2-CB 4.15Å; V6-A90 HydrophobicContact CG1-CB 4.4Å
7L95.8Very high94.5Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-93.4104.1178.4-54.9-174.9000110.5I77 V80 V81 I87 V88 V89 A90 L99 I103L7-I77 HydrophobicContact CD2-CG1 4.21Å; L7-V80 HydrophobicContact CD2-CG1 3.99Å; L7-V81 HydrophobicContact CD1-CG1 4.33Å; L7-V81 HydrophobicContact CD2-CG1 3.8Å; L7-I87 HydrophobicContact CD1-CG2 3.56Å; L7-I87 HydrophobicContact CG-CG2 3.82Å; L7-V88 PolarHBondContact N-O 3.36Å; L7-V89 HydrophobicContact CD1-CG2 4.49Å; L7-A90 CarbonylContact O-C 2.96Å; L7-A90 PolarHBondContact O-N 3.31Å; L7-A90 VanDerWaalsContact O-N 3.17Å; L7-L99 HydrophobicContact CB-CD1 4.43Å; L7-L99 HydrophobicContact CB-CD2 3.88Å; L7-L99 HydrophobicContact CD1-CD1 4.5Å; L7-L99 HydrophobicContact CD1-CD2 3.72Å; L7-L99 HydrophobicContact CD1-CG 4.08Å; L7-L99 HydrophobicContact CG-CD2 4.46Å; L7-I103 HydrophobicContact CD1-CD1 4.36Å; L7-I103 HydrophobicContact CD1-CG2 4.44Å
8G93.4Very high94.6Very high1 Ų134.4 Ų34.41%0.0118%0.181CC..  trans145.2150.7173.800000113.5S13 M36 Y37 Y91G8-S13 VanDerWaalsContact CA-OG 3.28Å; G8-S13 WeakPolarHBondContact CA-OG 3.48Å; G8-S13 WeakPolarHBondContact O-CB 3.25Å; G8-S13 PolarHBondContact O-OG 3.17Å; G8-M36 WeakPolarHBondContact O-CE 3.5Å; G8-M36 WeakPolarHBondContact O-CG 3.49Å; G8-Y37 CarbonylContact C-O 3.48Å; G8-Y37 VanDerWaalsContact CA-O 3.31Å; G8-Y37 WeakPolarHBondContact CA-O 3.48Å; G8-Y37 PolarHBondContact N-O 3.05Å; G8-Y91 VanDerWaalsContact CA-CD2 3.45Å
9G91.9Very high94.7Very high9 Ų937.1 Ų37.19%0.09320%0.198CC..  trans-117.42.3176.800000114.3N58 Y61G9-N58 PolarHBondContact O-ND2 3.3Å; G9-Y61 WeakPolarHBondContact O-CD2 3.29Å
10G91.7Very high94.8Very high25 Ų2536.5 Ų36.526%0.25820%0.195SC..SBendtrans-79.1178.6-178.600000113.8W12 S13 T14G10-W12 PolarHBondContact O-N 3.49Å; G10-S13 WeakPolarHBondContact O-CB 3.1Å; G10-S13 PolarHBondContact O-N 3.38Å; G10-S13 VanDerWaalsContact O-N 3.07Å; G10-T14 PolarHBondContact O-N 3.31Å; G10-T14 PolarHBondContact O-OG1 3.42Å
11A91Very high94.9Very high44 Ų4434.7 Ų34.736%0.36419%0.185SC..Hα-helixtrans-56.3-49.1-172.200000112.3S13 T14 A15 Y61A11-S13 PolarHBondContact O-N 3.19Å; A11-T14 PolarHBondContact O-N 3.15Å; A11-A15 PolarHBondContact O-N 3.37Å; A11-Y61 WeakPolarHBondContact CB-O 3.43Å; A11-Y61 VanDerWaalsContact N-CB 3.33Å
12W90.4Very high95.2Very high152 Ų15230 Ų3058%0.57616%0.163SC*.Hα-helixtrans-63.7-41.3178.5-177.5-130000112.4G10 A15 I16 F116G10-W12 PolarHBondContact O-N 3.49Å; W12-A15 HydrophobicContact CE3-CB 4.49Å; W12-A15 PolarHBondContact O-N 3.49Å; W12-I16 HydrophobicContact CD2-CD1 3.82Å; W12-I16 HydrophobicContact CD2-CG1 4.23Å; W12-I16 HydrophobicContact CG-CD1 4.05Å; W12-I16 HydrophobicContact CH2-CG1 4.42Å; W12-I16 HydrophobicContact CZ2-CD1 3.75Å; W12-I16 HydrophobicContact CZ2-CG1 4.11Å; W12-I16 VanDerWaalsContact NE1-CD1 3.28Å; W12-I16 WeakPolarHBondContact O-CG1 3.38Å; W12-I16 PolarHBondContact O-N 3Å; W12-F116 HydrophobicContact CZ2-CB 4.48Å; W12-F116 AromaticContact CZ2-CD1 3.97Å; W12-F116 HydrophobicContact CZ2-CD1 3.97Å
13S94Very high95.2Very high2 Ų230.8 Ų30.81%0.01417%0.172CC..Hα-helixtrans-64.8-44.2178-153.20000110.9V6 G8 G10 A11 A15 I16 A17 M36 A90V6-S13 WeakPolarHBondContact CG1-OG 3.49Å; G8-S13 VanDerWaalsContact CA-OG 3.28Å; G8-S13 WeakPolarHBondContact CA-OG 3.48Å; G8-S13 WeakPolarHBondContact O-CB 3.25Å; G8-S13 PolarHBondContact O-OG 3.17Å; G10-S13 WeakPolarHBondContact O-CB 3.1Å; G10-S13 PolarHBondContact O-N 3.38Å; G10-S13 VanDerWaalsContact O-N 3.07Å; A11-S13 PolarHBondContact O-N 3.19Å; S13-A15 VanDerWaalsContact C-N 3.35Å; S13-A15 PolarHBondContact O-N 3.1Å; S13-I16 PolarHBondContact O-N 3.23Å; S13-A17 VanDerWaalsContact O-CB 3.32Å; S13-A17 WeakPolarHBondContact O-CB 3.19Å; S13-A17 PolarHBondContact O-N 3.22Å; S13-M36 WeakPolarHBondContact O-CE 3.31Å; S13-M36 VanDerWaalsContact OG-CE 3.26Å; S13-M36 WeakPolarHBondContact OG-CE 3.41Å; S13-A90 VanDerWaalsContact CB-O 3.28Å; S13-A90 WeakPolarHBondContact CB-O 3.48Å; S13-A90 PolarHBondContact OG-O 3.36Å
14T95.3Very high95.2Very high2 Ų230.5 Ų30.51%0.01217%0.171CC..Hα-helixtrans-61.3-41.5175.9-56.50000112G10 A11 A17 K18 N58 L62 I67G10-T14 PolarHBondContact O-N 3.31Å; G10-T14 PolarHBondContact O-OG1 3.42Å; A11-T14 PolarHBondContact O-N 3.15Å; T14-A17 PolarHBondContact O-N 3.13Å; T14-K18 PolarHBondContact O-N 3.25Å; T14-N58 HydrophobicContact CG2-CB 4.09Å; T14-N58 PolarHBondContact OG1-ND2 2.81Å; T14-L62 HydrophobicContact CG2-CB 4.12Å; T14-L62 HydrophobicContact CG2-CD2 3.86Å; T14-I67 HydrophobicContact CG2-CD1 3.74Å; T14-I67 HydrophobicContact CG2-CG1 3.85Å
15A94.7Very high95Very high34 Ų3433.7 Ų33.728%0.28119%0.194SC..Hα-helixtrans-62.5-45.7174.900000112A11 W12 S13 K18 V19 L62A11-A15 PolarHBondContact O-N 3.37Å; W12-A15 HydrophobicContact CE3-CB 4.49Å; W12-A15 PolarHBondContact O-N 3.49Å; S13-A15 VanDerWaalsContact C-N 3.35Å; S13-A15 PolarHBondContact O-N 3.1Å; A15-K18 PolarHBondContact O-N 3.02Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.29Å; A15-V19 VanDerWaalsContact O-N 3.11Å; A15-L62 HydrophobicContact CB-CD2 4.37Å
16I94.6Very high94.8Very high7 Ų738.8 Ų38.84%0.03623%0.229CC..Hα-helixtrans-62.6-47176.2-73165.6000111.1W12 S13 K18 V19 I20 V88 A90 F116W12-I16 HydrophobicContact CD2-CD1 3.82Å; W12-I16 HydrophobicContact CD2-CG1 4.23Å; W12-I16 HydrophobicContact CG-CD1 4.05Å; W12-I16 HydrophobicContact CH2-CG1 4.42Å; W12-I16 HydrophobicContact CZ2-CD1 3.75Å; W12-I16 HydrophobicContact CZ2-CG1 4.11Å; W12-I16 VanDerWaalsContact NE1-CD1 3.28Å; W12-I16 WeakPolarHBondContact O-CG1 3.38Å; W12-I16 PolarHBondContact O-N 3Å; S13-I16 PolarHBondContact O-N 3.23Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 3.14Å; I16-V19 PolarHBondContact O-N 3.35Å; I16-V19 VanDerWaalsContact O-N 3.14Å; I16-I20 HydrophobicContact CG2-CD1 3.47Å; I16-I20 VanDerWaalsContact CG2-CD1 3.47Å; I16-I20 HydrophobicContact CG2-CG1 4.09Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.07Å; I16-V88 HydrophobicContact CG2-CG1 3.96Å; I16-A90 HydrophobicContact CD1-CB 3.57Å; I16-F116 HydrophobicContact CD1-CB 3.66Å; I16-F116 HydrophobicContact CD1-CD1 3.55Å; I16-F116 HydrophobicContact CD1-CD2 3.86Å; I16-F116 HydrophobicContact CD1-CE1 4.11Å; I16-F116 HydrophobicContact CD1-CE2 4.39Å; I16-F116 HydrophobicContact CD1-CG 3.39Å; I16-F116 HydrophobicContact CD1-CZ 4.49Å; I16-F116 HydrophobicContact CG1-CD1 4.05Å; I16-F116 HydrophobicContact CG1-CE1 4.13Å; I16-F116 HydrophobicContact CG1-CG 4.29Å; I16-F116 HydrophobicContact CG1-CZ 4.46Å; I16-F116 HydrophobicContact CG2-CD2 4.37Å; I16-F116 HydrophobicContact CG2-CE2 3.99Å; I16-F116 HydrophobicContact CG2-CZ 4.09Å
17A96.8Very high94.6Very high0 Ų040.5 Ų40.50%024%0.241CC..Hα-helixtrans-57-43178.500000110.9V6 S13 T14 I20 A21 I34 M36 V71V6-A17 HydrophobicContact CG2-CB 4.4Å; S13-A17 VanDerWaalsContact O-CB 3.32Å; S13-A17 WeakPolarHBondContact O-CB 3.19Å; S13-A17 PolarHBondContact O-N 3.22Å; T14-A17 PolarHBondContact O-N 3.13Å; A17-I20 PolarHBondContact O-N 2.83Å; A17-A21 WeakPolarHBondContact O-CB 3.48Å; A17-A21 PolarHBondContact O-N 2.91Å; A17-I34 HydrophobicContact CB-CD1 3.84Å; A17-I34 WeakPolarHBondContact O-CD1 3.37Å; A17-M36 HydrophobicContact CB-CE 3.62Å; A17-M36 HydrophobicContact CB-SD 4.01Å; A17-V71 HydrophobicContact CB-CG1 4.26Å
18K96.2Very high94.5Very high65 Ų6548.1 Ų48.128%0.28328%0.282SS..Hα-helixtrans-58.5-51.5173.5171.4164.3174.744.90112.4T14 A15 I16 I20 A21 D22 I65 P68T14-K18 PolarHBondContact O-N 3.25Å; A15-K18 PolarHBondContact O-N 3.02Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 3.14Å; K18-I20 VanDerWaalsContact C-N 3.33Å; K18-I20 PolarHBondContact O-N 2.92Å; K18-A21 WeakPolarHBondContact O-CB 3.43Å; K18-A21 PolarHBondContact O-N 3.32Å; K18-D22 IonicContact NZ-OD1 3.83Å; K18-D22 IonicContact NZ-OD2 3.58Å; K18-D22 PolarHBondContact NZ-OD2 3.03Å; K18-D22 VanDerWaalsContact O-CG 3.32Å; K18-D22 PolarHBondContact O-N 3.01Å; K18-I65 HydrophobicContact CD-CG2 3.82Å; K18-P68 HydrophobicContact CB-CG 4.34Å; K18-P68 HydrophobicContact CD-CG 4.5Å; K18-P68 HydrophobicContact CG-CG 3.89Å
19V95.7Very high94.6Very high85 Ų8553.8 Ų53.852%0.51531%0.308SS..Hα-helixtrans-61.6-42.5-178.5172.90000111.4A15 I16 N23A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.29Å; A15-V19 VanDerWaalsContact O-N 3.11Å; I16-V19 PolarHBondContact O-N 3.35Å; I16-V19 VanDerWaalsContact O-N 3.14Å; V19-N23 VanDerWaalsContact O-CG 3.29Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 VanDerWaalsContact O-N 3.17Å; V19-N23 PolarHBondContact O-ND2 3.43Å
20I96.8Very high94.9Very high24 Ų2455.6 Ų55.612%0.12331%0.314CS..Hα-helixtrans-66.3-43.8177.5-64.8174.9000110.3V4 V6 I16 A17 K18 D22 N23 V24 I34 V88V4-I20 HydrophobicContact CB-CG2 4.39Å; V4-I20 HydrophobicContact CG1-CG2 3.91Å; V6-I20 HydrophobicContact CG2-CD1 4.01Å; I16-I20 HydrophobicContact CG2-CD1 3.47Å; I16-I20 VanDerWaalsContact CG2-CD1 3.47Å; I16-I20 HydrophobicContact CG2-CG1 4.09Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.07Å; A17-I20 PolarHBondContact O-N 2.83Å; K18-I20 VanDerWaalsContact C-N 3.33Å; K18-I20 PolarHBondContact O-N 2.92Å; I20-D22 VanDerWaalsContact C-N 3.33Å; I20-D22 PolarHBondContact O-N 3.37Å; I20-N23 PolarHBondContact O-N 2.8Å; I20-N23 VanDerWaalsContact O-N 3.13Å; I20-V24 HydrophobicContact CG2-CG1 3.99Å; I20-V24 WeakPolarHBondContact O-CG1 3.35Å; I20-V24 WeakPolarHBondContact O-CG2 3.27Å; I20-V24 PolarHBondContact O-N 2.97Å; I20-I34 HydrophobicContact CB-CD1 4.34Å; I20-I34 HydrophobicContact CG2-CD1 4.37Å; I20-I34 HydrophobicContact CG2-CG2 3.83Å; I20-V88 HydrophobicContact CD1-CB 4.36Å; I20-V88 HydrophobicContact CD1-CG1 4.19Å; I20-V88 HydrophobicContact CD1-CG2 3.76Å
21A97.7Very high95.1Very high0 Ų055.6 Ų55.60%031%0.31CS..Hα-helixtrans-57.6-45.417900000112.1A17 K18 N23 V24 S25 I34 P68 N70 V71A17-A21 WeakPolarHBondContact O-CB 3.48Å; A17-A21 PolarHBondContact O-N 2.91Å; K18-A21 WeakPolarHBondContact O-CB 3.43Å; K18-A21 PolarHBondContact O-N 3.32Å; A21-N23 VanDerWaalsContact C-N 3.31Å; A21-N23 PolarHBondContact O-N 3.2Å; A21-V24 WeakPolarHBondContact O-CG2 3.24Å; A21-V24 PolarHBondContact O-N 3.37Å; A21-S25 PolarHBondContact O-N 3.01Å; A21-S25 VanDerWaalsContact O-N 3.14Å; A21-S25 PolarHBondContact O-OG 3.11Å; A21-S25 VanDerWaalsContact O-OG 3.05Å; A21-I34 HydrophobicContact CB-CD1 4.09Å; A21-I34 HydrophobicContact CB-CG1 4.36Å; A21-P68 HydrophobicContact CB-CB 3.93Å; A21-P68 HydrophobicContact CB-CG 4Å; A21-N70 PolarHBondContact O-ND2 3.33Å; A21-V71 HydrophobicContact CB-CG2 3.5Å; A21-V71 VanDerWaalsContact CB-CG2 3.5Å
22D96.5Very high95.3Very high70 Ų7055.2 Ų55.237%0.37431%0.31SS..Hα-helixtrans-62.2-39.3176.5-65.4-23.8000111.2K18 I20 S26 P68K18-D22 IonicContact NZ-OD1 3.83Å; K18-D22 IonicContact NZ-OD2 3.58Å; K18-D22 PolarHBondContact NZ-OD2 3.03Å; K18-D22 VanDerWaalsContact O-CG 3.32Å; K18-D22 PolarHBondContact O-N 3.01Å; I20-D22 VanDerWaalsContact C-N 3.33Å; I20-D22 PolarHBondContact O-N 3.37Å; D22-S26 PolarHBondContact O-OG 3.43Å; D22-P68 WeakPolarHBondContact OD1-CG 3.39Å
23N96.3Very high95.6Very high108 Ų10854.2 Ų54.258%0.57831%0.306SS*.Hα-helixtrans-70.9-44.3178.6-72.8-20.2000113.4V19 I20 A21 S25 S26 S27V19-N23 VanDerWaalsContact O-CG 3.29Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 VanDerWaalsContact O-N 3.17Å; V19-N23 PolarHBondContact O-ND2 3.43Å; I20-N23 PolarHBondContact O-N 2.8Å; I20-N23 VanDerWaalsContact O-N 3.13Å; A21-N23 VanDerWaalsContact C-N 3.31Å; A21-N23 PolarHBondContact O-N 3.2Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-S25 PolarHBondContact O-N 3.46Å; N23-S26 PolarHBondContact O-N 3.37Å; N23-S27 PolarHBondContact O-N 3.09Å
24V96.8Very high95.7Very high5 Ų554.1 Ų54.13%0.0331%0.306CS..Hα-helixtrans-70.3-30.2-178.7-59.70000111.9V4 I20 A21 S26 S27 F30 I34V4-V24 HydrophobicContact CG2-CG1 4.15Å; I20-V24 HydrophobicContact CG2-CG1 3.99Å; I20-V24 WeakPolarHBondContact O-CG1 3.35Å; I20-V24 WeakPolarHBondContact O-CG2 3.27Å; I20-V24 PolarHBondContact O-N 2.97Å; A21-V24 WeakPolarHBondContact O-CG2 3.24Å; A21-V24 PolarHBondContact O-N 3.37Å; V24-S26 PolarHBondContact O-N 3.08Å; V24-S27 PolarHBondContact O-N 3.27Å; V24-F30 HydrophobicContact CB-CB 3.82Å; V24-F30 HydrophobicContact CG1-CB 3.72Å; V24-F30 HydrophobicContact CG1-CD1 4.44Å; V24-F30 HydrophobicContact CG1-CG 4Å; V24-I34 HydrophobicContact CG1-CG2 4.32Å; V24-I34 HydrophobicContact CG2-CG2 3.8Å
25S94.5Very high95.9Very high73 Ų7355.1 Ų55.151%0.5131%0.312SS..Hα-helixtrans-62-26173.1-67.70000113.3A21 N23 N70A21-S25 PolarHBondContact O-N 3.01Å; A21-S25 VanDerWaalsContact O-N 3.14Å; A21-S25 PolarHBondContact O-OG 3.11Å; A21-S25 VanDerWaalsContact O-OG 3.05Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-S25 PolarHBondContact O-N 3.46Å; S25-N70 PolarHBondContact OG-ND2 3Å
26S93.2Very high96Very high109 Ų10953.6 Ų53.676%0.76230%0.298SS*.THydrogen-bonded Turntrans-96.93.3-178.7-540000113D22 N23 V24D22-S26 PolarHBondContact O-OG 3.43Å; N23-S26 PolarHBondContact O-N 3.37Å; V24-S26 PolarHBondContact O-N 3.08Å
27S93.9Very high96.2Very high36 Ų3653.8 Ų53.825%0.25230%0.299SS..  trans-116.4138.1-174.1-176.10000112.6N23 V24 E29 F30N23-S27 PolarHBondContact O-N 3.09Å; V24-S27 PolarHBondContact O-N 3.27Å; S27-E29 VanDerWaalsContact C-N 3.34Å; S27-E29 PolarHBondContact OG-N 2.6Å; S27-E29 VanDerWaalsContact OG-N 3.16Å; S27-F30 WeakPolarHBondContact OG-CD2 3.34Å
28N93.8Very high96.1Very high160 Ų16053.8 Ų53.886%0.85630%0.299SS*.SBendtrans-85.5-8172.6-63.1-27.8000112.9
29E95.4Very high96Very high120 Ų12057 Ų5756%0.56131%0.31SS*.SBendtrans-86.1-29.7179.1-66.5-170-163.900112.6M1 K2 S27M1-E29 CarbonylContact C-O 3.57Å; M1-E29 VanDerWaalsContact CA-O 3.27Å; M1-E29 WeakPolarHBondContact CA-O 3.42Å; K2-E29 PolarHBondContact N-O 3.4Å; K2-E29 IonicContact NZ-OE2 3.85Å; S27-E29 VanDerWaalsContact C-N 3.34Å; S27-E29 PolarHBondContact OG-N 2.6Å; S27-E29 VanDerWaalsContact OG-N 3.16Å
30F96.8Very high95.8Very high46 Ų4657.6 Ų57.620%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-103.9151.3-172.6-66.4-79.7000111.8K2 V4 V24 S27 G32 I86K2-F30 HydrophobicContact CB-CD1 3.62Å; K2-F30 HydrophobicContact CB-CE1 3.79Å; K2-F30 HydrophobicContact CD-CD1 4.43Å; K2-F30 HydrophobicContact CD-CE1 3.83Å; K2-F30 HydrophobicContact CD-CZ 4.25Å; K2-F30 HydrophobicContact CG-CE1 4.47Å; K2-F30 CarbonylContact O-C 3.48Å; K2-F30 WeakPolarHBondContact O-CA 3.36Å; V4-F30 HydrophobicContact CG2-CD1 3.77Å; V4-F30 HydrophobicContact CG2-CE1 4.21Å; V24-F30 HydrophobicContact CB-CB 3.82Å; V24-F30 HydrophobicContact CG1-CB 3.72Å; V24-F30 HydrophobicContact CG1-CD1 4.44Å; V24-F30 HydrophobicContact CG1-CG 4Å; S27-F30 WeakPolarHBondContact OG-CD2 3.34Å; F30-G32 PolarHBondContact O-N 3.15Å; F30-I86 HydrophobicContact CE1-CD1 3.6Å; F30-I86 HydrophobicContact CZ-CD1 4.2Å
31C96Very high95.6Very high26 Ų2659.1 Ų59.118%0.17632%0.317CS..EExtended strand (participates in β ladder)trans-62.6131.4166.1-1700000107.8K2 Q3 R33K2-C31 PolarHBondContact O-N 3.45Å; Q3-C31 VanDerWaalsContact OE1-CB 3.29Å; Q3-C31 PolarHBondContact OE1-SG 3.1Å; C31-R33 PolarHBondContact O-N 3.45Å
32G95.7Very high95.4Very high36 Ų3663.5 Ų63.537%0.37134%0.344SS..EExtended strand (participates in β ladder)trans-64.9-5-176.200000114.6F30 N70F30-G32 PolarHBondContact O-N 3.15Å; G32-N70 VanDerWaalsContact O-CB 3.24Å; G32-N70 WeakPolarHBondContact O-CB 3.5Å; G32-N70 PolarHBondContact O-ND2 3.41Å
33R96.6Very high95Very high131 Ų13162.9 Ų62.949%0.49434%0.339SS..EExtended strand (participates in β ladder)trans-116.2151174.766.1175.7-175169.72.1111.7Q3 C31 N70Q3-R33 PolarHBondContact NE2-O 3.29Å; C31-R33 PolarHBondContact O-N 3.45Å; R33-N70 CarbonylContact C-O 3.54Å; R33-N70 VanDerWaalsContact CA-O 3.26Å; R33-N70 WeakPolarHBondContact CA-O 3.32Å; R33-N70 HydrophobicContact CB-CB 4.46Å; R33-N70 WeakPolarHBondContact CB-O 3.47Å
34I97.6Very high94.9Very high0 Ų063.5 Ų63.50%034%0.342CS..EExtended strand (participates in β ladder)trans-117.8150.6168.370.2171.4000110.5V4 V6 A17 I20 A21 V24 N70 V71 I72V4-I34 HydrophobicContact CB-CG2 3.97Å; V4-I34 WeakPolarHBondContact O-CA 3.18Å; V6-I34 HydrophobicContact CG2-CD1 4.05Å; A17-I34 HydrophobicContact CB-CD1 3.84Å; A17-I34 WeakPolarHBondContact O-CD1 3.37Å; I20-I34 HydrophobicContact CB-CD1 4.34Å; I20-I34 HydrophobicContact CG2-CD1 4.37Å; I20-I34 HydrophobicContact CG2-CG2 3.83Å; A21-I34 HydrophobicContact CB-CD1 4.09Å; A21-I34 HydrophobicContact CB-CG1 4.36Å; V24-I34 HydrophobicContact CG1-CG2 4.32Å; V24-I34 HydrophobicContact CG2-CG2 3.8Å; I34-N70 PolarHBondContact N-O 2.78Å; I34-V71 HydrophobicContact CD1-CG1 4.41Å; I34-V71 HydrophobicContact CD1-CG2 3.98Å; I34-V71 HydrophobicContact CG1-CB 4.28Å; I34-V71 HydrophobicContact CG1-CG1 4.25Å; I34-V71 HydrophobicContact CG1-CG2 3.96Å; I34-I72 PolarHBondContact O-N 3.2Å
35V98.1Very high94.7Very high23 Ų2371.2 Ų71.214%0.13938%0.383CS..EExtended strand (participates in β ladder)trans-111.2126.4175.5-168.70000109V4 A5 V6 I72 N74 V80V4-V35 PolarHBondContact O-N 3.27Å; A5-V35 CarbonylContact C-O 3.48Å; A5-V35 WeakPolarHBondContact CA-O 3.43Å; V6-V35 PolarHBondContact N-O 3.24Å; V35-I72 CarbonylContact C-O 3.36Å; V35-I72 VanDerWaalsContact CA-O 3.3Å; V35-I72 WeakPolarHBondContact CA-O 3.49Å; V35-N74 HydrophobicContact CG1-CB 4.22Å; V35-V80 HydrophobicContact CG1-CB 4.38Å; V35-V80 HydrophobicContact CG1-CG1 4.22Å; V35-V80 HydrophobicContact CG1-CG2 3.94Å
36M97.6Very high94.7Very high1 Ų170.8 Ų70.81%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-109.1126.4-178.2-178.5178.3-135.300110.3V6 G8 S13 A17 V38 V71 I72 A73 N74V6-M36 HydrophobicContact CB-CG 4.43Å; V6-M36 HydrophobicContact CG1-CE 4.16Å; V6-M36 CarbonylContact O-C 3.44Å; V6-M36 VanDerWaalsContact O-CA 3.26Å; V6-M36 WeakPolarHBondContact O-CA 3.43Å; G8-M36 WeakPolarHBondContact O-CE 3.5Å; G8-M36 WeakPolarHBondContact O-CG 3.49Å; S13-M36 WeakPolarHBondContact O-CE 3.31Å; S13-M36 VanDerWaalsContact OG-CE 3.26Å; S13-M36 WeakPolarHBondContact OG-CE 3.41Å; A17-M36 HydrophobicContact CB-CE 3.62Å; A17-M36 HydrophobicContact CB-SD 4.01Å; M36-V38 HydrophobicContact CG-CG2 3.95Å; M36-V38 PolarHBondContact O-N 2.95Å; M36-V38 HydrophobicContact SD-CG2 4.15Å; M36-V71 HydrophobicContact CB-CG1 4.26Å; M36-I72 PolarHBondContact N-O 3.01Å; M36-A73 CarbonylContact O-C 3.48Å; M36-A73 WeakPolarHBondContact O-CA 3.4Å; M36-N74 PolarHBondContact O-N 3.16Å
37Y97.6Very high94.9Very high11 Ų1167.2 Ų67.24%0.04334%0.343CS..EExtended strand (participates in β ladder)trans-76.5117.9169.5170.6-114.4000110.1V6 G8 N74 S75 I77 Y91 L99V6-Y37 PolarHBondContact O-N 2.98Å; G8-Y37 CarbonylContact C-O 3.48Å; G8-Y37 VanDerWaalsContact CA-O 3.31Å; G8-Y37 WeakPolarHBondContact CA-O 3.48Å; G8-Y37 PolarHBondContact N-O 3.05Å; Y37-N74 WeakPolarHBondContact CA-O 3.4Å; Y37-S75 WeakPolarHBondContact CE2-O 3.49Å; Y37-I77 HydrophobicContact CD1-CB 4.49Å; Y37-I77 HydrophobicContact CD1-CD1 3.94Å; Y37-I77 HydrophobicContact CD1-CG1 4.06Å; Y37-I77 HydrophobicContact CD2-CB 3.62Å; Y37-I77 HydrophobicContact CD2-CG1 3.93Å; Y37-I77 HydrophobicContact CE1-CD1 3.97Å; Y37-I77 HydrophobicContact CE1-CG1 4.36Å; Y37-I77 HydrophobicContact CE2-CB 3.64Å; Y37-I77 HydrophobicContact CE2-CG1 4.25Å; Y37-I77 HydrophobicContact CG-CB 4.06Å; Y37-I77 HydrophobicContact CG-CD1 4.23Å; Y37-I77 HydrophobicContact CG-CG1 3.82Å; Y37-Y91 HydrophobicContact CD1-CE2 4.1Å; Y37-Y91 AromaticContact CE1-CE2 3.91Å; Y37-Y91 HydrophobicContact CE1-CE2 3.91Å; Y37-L99 HydrophobicContact CD1-CD1 4.12Å; Y37-L99 HydrophobicContact CE1-CD1 4.06Å
38V96.2Very high94.9Very high1 Ų165.5 Ų65.51%0.00633%0.331CS..  trans-118.1124.7175.9-179.30000107.3M36 L48 V49 I52 A73 N74 S75M36-V38 HydrophobicContact CG-CG2 3.95Å; M36-V38 PolarHBondContact O-N 2.95Å; M36-V38 HydrophobicContact SD-CG2 4.15Å; V38-L48 HydrophobicContact CG1-CB 4.1Å; V38-L48 HydrophobicContact CG1-CD2 3.7Å; V38-L48 HydrophobicContact CG1-CG 3.85Å; V38-V49 HydrophobicContact CB-CG2 4Å; V38-V49 HydrophobicContact CG1-CG2 4.31Å; V38-I52 HydrophobicContact CG1-CD1 4.3Å; V38-I52 HydrophobicContact CG2-CD1 3.76Å; V38-A73 HydrophobicContact CB-CB 4.44Å; V38-A73 HydrophobicContact CG2-CB 3.75Å; V38-N74 PolarHBondContact N-O 3.34Å; V38-N74 VanDerWaalsContact N-O 3.08Å; V38-S75 VanDerWaalsContact O-CA 3.26Å; V38-S75 WeakPolarHBondContact O-CA 3.22Å
39Y92.9Very high95.1Very high131 Ų13158.8 Ų58.851%0.51430%0.295SS..  trans-57146.7176.7-174.8-98.8000110E41 W98Y39-E41 HydrophobicContact CD1-CB 4.44Å; Y39-E41 PolarHBondContact O-N 3.09Å; Y39-W98 HydrophobicContact CD2-CH2 4.5Å
40D92.6Very high95.2Very high99 Ų9955.7 Ų55.753%0.52928%0.283SS..SBendtrans-7077.5-176.2-164.226.1000111N47D40-N47 PolarHBondContact OD1-ND2 3.15Å
41E92.7Very high95.3Very high55 Ų5555 Ų5526%0.25728%0.279SS..  trans-113.2136-173.9-173.7-178164.700110.3Y39 L48 Y61Y39-E41 HydrophobicContact CD1-CB 4.44Å; Y39-E41 PolarHBondContact O-N 3.09Å; E41-L48 WeakPolarHBondContact O-CB 3.27Å; E41-L48 PolarHBondContact O-N 2.84Å; E41-Y61 PolarHBondContact OE1-OH 2.7Å; E41-Y61 WeakPolarHBondContact OE2-CE2 3.47Å; E41-Y61 PolarHBondContact OE2-OH 2.76Å
42T92.4Very high95.4Very high92 Ų9253.7 Ų53.756%0.56427%0.271SS*.EExtended strand (participates in β ladder)trans-105.2132.8177.8-59.40000110.6R46T42-R46 WeakPolarHBondContact CA-O 3.26Å
43H89.6Confident95.5Very high57 Ų5754.4 Ų54.426%0.26427%0.266SS..EExtended strand (participates in β ladder)trans-128.5120.8174.6-178.472.5000110.5D45 R46 Y51 V60H43-D45 PolarHBondContact O-N 2.9Å; H43-R46 PolarHBondContact N-O 2.93Å; H43-R46 PolarHBondContact O-N 2.88Å; H43-Y51 HydrophobicContact CB-CE2 4.21Å; H43-Y51 VanDerWaalsContact O-CE2 3.24Å; H43-Y51 WeakPolarHBondContact O-CE2 3.31Å; H43-Y51 PolarHBondContact O-OH 2.65Å; H43-Y51 VanDerWaalsContact O-OH 3.07Å; H43-V60 HydrophobicContact CB-CG2 3.71Å
44N92.2Very high95.5Very high122 Ų12254.7 Ų54.765%0.65227%0.27SS*.THydrogen-bonded Turntrans48.355.8-173.8-59.9-28.5000112.3R46N44-R46 PolarHBondContact O-N 3.5Å
45D92.7Very high95.5Very high167 Ų16758 Ų5889%0.89329%0.288SS*.THydrogen-bonded Turntrans6112.2177.7-53.4-51.9000116.2H43H43-D45 PolarHBondContact O-N 2.9Å
46R95.7Very high95.5Very high64 Ų6458.8 Ų58.824%0.24229%0.29CS..EExtended strand (participates in β ladder)trans-126.6141.8175.7177.4176.3176.8-174.4-2.8111.5T42 H43 N44 D50 Y51 D55T42-R46 WeakPolarHBondContact CA-O 3.26Å; H43-R46 PolarHBondContact N-O 2.93Å; H43-R46 PolarHBondContact O-N 2.88Å; N44-R46 PolarHBondContact O-N 3.5Å; R46-D50 HydrophobicContact CG-CB 3.96Å; R46-D50 PolarHBondContact NH2-O 3.35Å; R46-Y51 HydrophobicContact CB-CD2 4.33Å; R46-Y51 HydrophobicContact CB-CE2 3.58Å; R46-Y51 HydrophobicContact CG-CD2 3.95Å; R46-Y51 HydrophobicContact CG-CE2 3.67Å; R46-D55 IonicContact CZ-OD1 3.46Å; R46-D55 IonicContact CZ-OD2 2.64Å; R46-D55 VanDerWaalsContact NH1-CG 3.32Å; R46-D55 IonicContact NH1-OD1 3.23Å; R46-D55 PolarHBondContact NH1-OD1 3.14Å; R46-D55 IonicContact NH1-OD2 3.21Å; R46-D55 PolarHBondContact NH1-OD2 2.96Å; R46-D55 IonicContact NH2-OD1 2.77Å; R46-D55 PolarHBondContact NH2-OD1 3.48Å; R46-D55 IonicContact NH2-OD2 2.82Å; R46-D55 PolarHBondContact NH2-OD2 3.27Å
47N96.4Very high95.4Very high33 Ų3361.2 Ų61.218%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-66.6139.8179.3-164.2-72.3000111.7D40 V49 D50 Y51D40-N47 PolarHBondContact OD1-ND2 3.15Å; N47-V49 VanDerWaalsContact C-N 3.26Å; N47-V49 PolarHBondContact O-N 3.42Å; N47-V49 WeakPolarHBondContact OD1-CB 3.46Å; N47-V49 WeakPolarHBondContact OD1-CG2 3.26Å; N47-V49 PolarHBondContact OD1-N 3.21Å; N47-D50 HydrophobicContact CB-CB 4.38Å; N47-D50 WeakPolarHBondContact O-CB 3.4Å; N47-D50 PolarHBondContact O-N 3.03Å; N47-Y51 WeakPolarHBondContact O-CD2 3.25Å; N47-Y51 PolarHBondContact O-N 3.36Å
48L95.4Very high95.3Very high1 Ų160.7 Ų60.71%0.00530%0.301CS..Hα-helixtrans-61.4-34.2178.2-172.257.7000112.5V38 E41 D50 Y51 I52 P59 V60 Y61V38-L48 HydrophobicContact CG1-CB 4.1Å; V38-L48 HydrophobicContact CG1-CD2 3.7Å; V38-L48 HydrophobicContact CG1-CG 3.85Å; E41-L48 WeakPolarHBondContact O-CB 3.27Å; E41-L48 PolarHBondContact O-N 2.84Å; L48-D50 VanDerWaalsContact C-N 3.28Å; L48-D50 PolarHBondContact O-N 3.44Å; L48-Y51 PolarHBondContact O-N 2.94Å; L48-I52 HydrophobicContact CG-CD1 4.17Å; L48-I52 WeakPolarHBondContact O-CG1 3.42Å; L48-I52 PolarHBondContact O-N 3.01Å; L48-I52 VanDerWaalsContact O-N 3.08Å; L48-P59 HydrophobicContact CD1-CG 4.32Å; L48-V60 HydrophobicContact CD1-CG2 4.18Å; L48-Y61 HydrophobicContact CD2-CD2 4.01Å; L48-Y61 HydrophobicContact CD2-CE2 3.79Å
49V97.8Very high95.2Very high18 Ų1862.1 Ų62.111%0.10931%0.31CS..Hα-helixtrans-58.4-41172.1173.60000111V38 N47 I52 N53 A73V38-V49 HydrophobicContact CB-CG2 4Å; V38-V49 HydrophobicContact CG1-CG2 4.31Å; N47-V49 VanDerWaalsContact C-N 3.26Å; N47-V49 PolarHBondContact O-N 3.42Å; N47-V49 WeakPolarHBondContact OD1-CB 3.46Å; N47-V49 WeakPolarHBondContact OD1-CG2 3.26Å; N47-V49 PolarHBondContact OD1-N 3.21Å; V49-I52 PolarHBondContact O-N 3.06Å; V49-N53 VanDerWaalsContact CG1-ND2 3.29Å; V49-N53 WeakPolarHBondContact CG1-ND2 3.18Å; V49-N53 WeakPolarHBondContact O-CB 3.22Å; V49-N53 PolarHBondContact O-N 2.9Å; V49-N53 PolarHBondContact O-ND2 3.36Å; V49-A73 HydrophobicContact CB-CB 4.28Å; V49-A73 HydrophobicContact CG1-CB 3.96Å; V49-A73 WeakPolarHBondContact CG1-O 3.46Å; V49-A73 HydrophobicContact CG2-CB 4.29Å
50D97.5Very high95Very high56 Ų5658.1 Ų58.130%0.29930%0.299SS..Hα-helixtrans-68.4-37.8178.6-80.5-49.9000112.4R46 N47 L48 I52 K54R46-D50 HydrophobicContact CG-CB 3.96Å; R46-D50 PolarHBondContact NH2-O 3.35Å; N47-D50 HydrophobicContact CB-CB 4.38Å; N47-D50 WeakPolarHBondContact O-CB 3.4Å; N47-D50 PolarHBondContact O-N 3.03Å; L48-D50 VanDerWaalsContact C-N 3.28Å; L48-D50 PolarHBondContact O-N 3.44Å; D50-I52 VanDerWaalsContact C-N 3.34Å; D50-K54 HydrophobicContact CB-CD 4.4Å; D50-K54 VanDerWaalsContact O-CB 3.31Å; D50-K54 WeakPolarHBondContact O-CB 3.15Å; D50-K54 PolarHBondContact O-N 3.47Å; D50-K54 WeakPolarHBondContact OD1-CE 3.09Å; D50-K54 IonicContact OD1-NZ 2.76Å; D50-K54 PolarHBondContact OD1-NZ 2.62Å; D50-K54 IonicContact OD2-NZ 3.98Å
51Y97.6Very high95Very high30 Ų3057.8 Ų57.812%0.11829%0.291CS..Iπ-helixtrans-61.3-45.5173.6-78.6-74.5000111H43 R46 N47 L48 D55 H56 I57 P59H43-Y51 HydrophobicContact CB-CE2 4.21Å; H43-Y51 VanDerWaalsContact O-CE2 3.24Å; H43-Y51 WeakPolarHBondContact O-CE2 3.31Å; H43-Y51 PolarHBondContact O-OH 2.65Å; H43-Y51 VanDerWaalsContact O-OH 3.07Å; R46-Y51 HydrophobicContact CB-CD2 4.33Å; R46-Y51 HydrophobicContact CB-CE2 3.58Å; R46-Y51 HydrophobicContact CG-CD2 3.95Å; R46-Y51 HydrophobicContact CG-CE2 3.67Å; N47-Y51 WeakPolarHBondContact O-CD2 3.25Å; N47-Y51 PolarHBondContact O-N 3.36Å; L48-Y51 PolarHBondContact O-N 2.94Å; Y51-D55 WeakPolarHBondContact CD1-OD2 3.35Å; Y51-D55 CarbonylContact O-C 3.56Å; Y51-D55 WeakPolarHBondContact O-CA 3.25Å; Y51-D55 VanDerWaalsContact O-CB 3.3Å; Y51-D55 WeakPolarHBondContact O-CB 3.45Å; Y51-D55 PolarHBondContact O-N 3.02Å; Y51-H56 PolarHBondContact O-N 3.48Å; Y51-I57 CarbonylContact C-O 3.51Å; Y51-I57 HydrophobicContact CD1-CD1 4.34Å; Y51-P59 HydrophobicContact CD1-CG 3.95Å; Y51-P59 HydrophobicContact CD2-CG 3.96Å; Y51-P59 HydrophobicContact CE1-CG 4.24Å; Y51-P59 HydrophobicContact CE2-CG 4.25Å; Y51-P59 HydrophobicContact CG-CG 3.78Å
52I97.8Very high94.9Very high0 Ų057.3 Ų57.30%029%0.29CS..Iπ-helixtrans-68.6-43.7-177.8-65.3165.8000111.1V38 L48 V49 D50 H56 I57 N58 I67 A73V38-I52 HydrophobicContact CG1-CD1 4.3Å; V38-I52 HydrophobicContact CG2-CD1 3.76Å; L48-I52 HydrophobicContact CG-CD1 4.17Å; L48-I52 WeakPolarHBondContact O-CG1 3.42Å; L48-I52 PolarHBondContact O-N 3.01Å; L48-I52 VanDerWaalsContact O-N 3.08Å; V49-I52 PolarHBondContact O-N 3.06Å; D50-I52 VanDerWaalsContact C-N 3.34Å; I52-H56 VanDerWaalsContact O-CA 3.28Å; I52-H56 WeakPolarHBondContact O-CA 3.49Å; I52-H56 PolarHBondContact O-N 2.77Å; I52-H56 PolarHBondContact O-ND1 3.41Å; I52-I57 WeakPolarHBondContact CG1-O 3.45Å; I52-I57 PolarHBondContact N-O 2.87Å; I52-N58 HydrophobicContact CG1-CB 4.45Å; I52-I67 HydrophobicContact CB-CD1 4.32Å; I52-I67 HydrophobicContact CG1-CD1 3.84Å; I52-I67 HydrophobicContact CG2-CD1 3.88Å; I52-I67 HydrophobicContact CG2-CG2 4.49Å; I52-A73 HydrophobicContact CB-CB 3.8Å; I52-A73 HydrophobicContact CD1-CB 4.14Å; I52-A73 HydrophobicContact CG2-CB 3.69Å
53N98.1Very high94.7Very high50 Ų5056.2 Ų56.227%0.26729%0.285SS..Iπ-helixtrans-77.3-33.1-175.2-75.2-23.4000114.5V49 I72 A73V49-N53 VanDerWaalsContact CG1-ND2 3.29Å; V49-N53 WeakPolarHBondContact CG1-ND2 3.18Å; V49-N53 WeakPolarHBondContact O-CB 3.22Å; V49-N53 PolarHBondContact O-N 2.9Å; V49-N53 PolarHBondContact O-ND2 3.36Å; N53-I72 WeakPolarHBondContact OD1-CA 3.23Å; N53-A73 PolarHBondContact ND2-O 3.24Å; N53-A73 PolarHBondContact OD1-N 3.5Å
54K97.6Very high94.5Very high137 Ų13757.6 Ų57.660%0.59630%0.301SS*.Iπ-helixtrans-102.6-36.3-175.8-62.5166.8172.7151.60112.9D50D50-K54 HydrophobicContact CB-CD 4.4Å; D50-K54 VanDerWaalsContact O-CB 3.31Å; D50-K54 WeakPolarHBondContact O-CB 3.15Å; D50-K54 PolarHBondContact O-N 3.47Å; D50-K54 WeakPolarHBondContact OD1-CE 3.09Å; D50-K54 IonicContact OD1-NZ 2.76Å; D50-K54 PolarHBondContact OD1-NZ 2.62Å; D50-K54 IonicContact OD2-NZ 3.98Å
55D97.3Very high94.5Very high69 Ų6955 Ų5537%0.36929%0.286SS..Iπ-helixtrans-106.6-9.2-174.7-53.3-4.2000112.1R46 Y51 I57R46-D55 IonicContact CZ-OD1 3.46Å; R46-D55 IonicContact CZ-OD2 2.64Å; R46-D55 VanDerWaalsContact NH1-CG 3.32Å; R46-D55 IonicContact NH1-OD1 3.23Å; R46-D55 PolarHBondContact NH1-OD1 3.14Å; R46-D55 IonicContact NH1-OD2 3.21Å; R46-D55 PolarHBondContact NH1-OD2 2.96Å; R46-D55 IonicContact NH2-OD1 2.77Å; R46-D55 PolarHBondContact NH2-OD1 3.48Å; R46-D55 IonicContact NH2-OD2 2.82Å; R46-D55 PolarHBondContact NH2-OD2 3.27Å; Y51-D55 WeakPolarHBondContact CD1-OD2 3.35Å; Y51-D55 CarbonylContact O-C 3.56Å; Y51-D55 WeakPolarHBondContact O-CA 3.25Å; Y51-D55 VanDerWaalsContact O-CB 3.3Å; Y51-D55 WeakPolarHBondContact O-CB 3.45Å; Y51-D55 PolarHBondContact O-N 3.02Å; D55-I57 HydrophobicContact CB-CD1 4.21Å; D55-I57 HydrophobicContact CB-CG1 3.72Å; D55-I57 PolarHBondContact O-N 3.19Å
56H97.7Very high94.6Very high41 Ų4151.9 Ų51.919%0.1927%0.273CS..  trans55.540.3-179.8-63.5-56.1000113.1Y51 I52 T66 I67 N69Y51-H56 PolarHBondContact O-N 3.48Å; I52-H56 VanDerWaalsContact O-CA 3.28Å; I52-H56 WeakPolarHBondContact O-CA 3.49Å; I52-H56 PolarHBondContact O-N 2.77Å; I52-H56 PolarHBondContact O-ND1 3.41Å; H56-T66 HydrophobicContact CB-CG2 4.35Å; H56-T66 WeakPolarHBondContact O-CA 3.04Å; H56-I67 WeakPolarHBondContact CB-O 3.48Å; H56-I67 PolarHBondContact O-N 3.21Å; H56-N69 PolarHBondContact CD2-OD1 2.85Å; H56-N69 PolarHBondContact NE2-OD1 3.13Å
57I96.4Very high94.7Very high52 Ų5249 Ų4927%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-136.8150.9176.656.1166.4000111Y51 I52 D55 P59Y51-I57 CarbonylContact C-O 3.51Å; Y51-I57 HydrophobicContact CD1-CD1 4.34Å; I52-I57 WeakPolarHBondContact CG1-O 3.45Å; I52-I57 PolarHBondContact N-O 2.87Å; D55-I57 HydrophobicContact CB-CD1 4.21Å; D55-I57 HydrophobicContact CB-CG1 3.72Å; D55-I57 PolarHBondContact O-N 3.19Å; I57-P59 WeakPolarHBondContact O-CD 3.4Å
58N95.2Very high94.8Very high0 Ų048.2 Ų48.20%026%0.259CS..EExtended strand (participates in β ladder)trans-110.989.5165.2-175.5-22000108.3G9 T14 I52 V60 Y61 L62 P63 I67G9-N58 PolarHBondContact O-ND2 3.3Å; T14-N58 HydrophobicContact CG2-CB 4.09Å; T14-N58 PolarHBondContact OG1-ND2 2.81Å; I52-N58 HydrophobicContact CG1-CB 4.45Å; N58-V60 PolarHBondContact O-N 3.15Å; N58-V60 PolarHBondContact OD1-N 3.01Å; N58-Y61 PolarHBondContact OD1-N 3.12Å; N58-L62 CarbonylContact O-C 3.41Å; N58-L62 PolarHBondContact O-N 3.48Å; N58-P63 VanDerWaalsContact O-CA 3.3Å; N58-P63 WeakPolarHBondContact O-CA 3.47Å; N58-P63 VanDerWaalsContact O-N 3.1Å; N58-I67 HydrophobicContact CB-CD1 3.98Å
59P92.9Very high94.9Very high30 Ų3053.8 Ų53.820%0.19529%0.289CS..THydrogen-bonded Turntrans-66.3-20.5-172.827.2-35.5000113.3L48 Y51 I57 P63L48-P59 HydrophobicContact CD1-CG 4.32Å; Y51-P59 HydrophobicContact CD1-CG 3.95Å; Y51-P59 HydrophobicContact CD2-CG 3.96Å; Y51-P59 HydrophobicContact CE1-CG 4.24Å; Y51-P59 HydrophobicContact CE2-CG 4.25Å; Y51-P59 HydrophobicContact CG-CG 3.78Å; I57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-P63 WeakPolarHBondContact O-CB 3.22Å
60V90.5Very high94.9Very high48 Ų4854.3 Ų54.329%0.29129%0.291SS..THydrogen-bonded Turntrans-85.8-53.8-177.3-177.50000110.6H43 L48 N58H43-V60 HydrophobicContact CB-CG2 3.71Å; L48-V60 HydrophobicContact CD1-CG2 4.18Å; N58-V60 PolarHBondContact O-N 3.15Å; N58-V60 PolarHBondContact OD1-N 3.01Å
61Y90.8Very high94.9Very high91 Ų9151.6 Ų51.636%0.35728%0.277SS..THydrogen-bonded Turntrans-106.1-21.8-166.3-57.4-77.8000114.5G9 A11 E41 L48 N58G9-Y61 WeakPolarHBondContact O-CD2 3.29Å; A11-Y61 WeakPolarHBondContact CB-O 3.43Å; A11-Y61 VanDerWaalsContact N-CB 3.33Å; E41-Y61 PolarHBondContact OE1-OH 2.7Å; E41-Y61 WeakPolarHBondContact OE2-CE2 3.47Å; E41-Y61 PolarHBondContact OE2-OH 2.76Å; L48-Y61 HydrophobicContact CD2-CD2 4.01Å; L48-Y61 HydrophobicContact CD2-CE2 3.79Å; N58-Y61 PolarHBondContact OD1-N 3.12Å
62L91.7Very high94.9Very high45 Ų4553.2 Ų53.224%0.23629%0.287CS..EExtended strand (participates in β ladder)trans-148.760.3176.4-161.164.5000112T14 A15 N58 S64 I65T14-L62 HydrophobicContact CG2-CB 4.12Å; T14-L62 HydrophobicContact CG2-CD2 3.86Å; A15-L62 HydrophobicContact CB-CD2 4.37Å; N58-L62 CarbonylContact O-C 3.41Å; N58-L62 PolarHBondContact O-N 3.48Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.91Å; L62-S64 VanDerWaalsContact O-N 3.1Å; L62-I65 HydrophobicContact CD1-CG1 4.25Å; L62-I65 HydrophobicContact CD2-CB 3.91Å; L62-I65 HydrophobicContact CD2-CG1 3.86Å; L62-I65 HydrophobicContact CD2-CG2 4.22Å; L62-I65 HydrophobicContact CG-CB 3.92Å; L62-I65 HydrophobicContact CG-CG1 3.75Å; L62-I65 PolarHBondContact O-N 3.27Å
63P87.1Confident95Very high70 Ų7053.4 Ų53.446%0.45529%0.288SS..EExtended strand (participates in β ladder)trans-66.5-18.4-164.722-33.8000115.8N58 P59N58-P63 VanDerWaalsContact O-CA 3.3Å; N58-P63 WeakPolarHBondContact O-CA 3.47Å; N58-P63 VanDerWaalsContact O-N 3.1Å; P59-P63 WeakPolarHBondContact O-CB 3.22Å
64S86.8Confident95Very high85 Ų8552.9 Ų52.959%0.59429%0.286SS*.EExtended strand (participates in β ladder)trans-976.2-174.6-51.50000113.1L62 K244L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.91Å; L62-S64 VanDerWaalsContact O-N 3.1Å; S64-K244 PolarHBondContact OG-NZ 3.44Å
65I90.8Very high94.9Very high68 Ų6848.8 Ų48.835%0.34927%0.274SS..EExtended strand (participates in β ladder)trans-119.3129.3-177.4-60.6-62.4000109.8K18 L62K18-I65 HydrophobicContact CD-CG2 3.82Å; L62-I65 HydrophobicContact CD1-CG1 4.25Å; L62-I65 HydrophobicContact CD2-CB 3.91Å; L62-I65 HydrophobicContact CD2-CG1 3.86Å; L62-I65 HydrophobicContact CD2-CG2 4.22Å; L62-I65 HydrophobicContact CG-CB 3.92Å; L62-I65 HydrophobicContact CG-CG1 3.75Å; L62-I65 PolarHBondContact O-N 3.27Å
66T96.2Very high94.9Very high102 Ų10248.5 Ų48.563%0.62627%0.273SS*.EExtended strand (participates in β ladder)trans-77.6125.9167.4-52.60000109.6H56H56-T66 HydrophobicContact CB-CG2 4.35Å; H56-T66 WeakPolarHBondContact O-CA 3.04Å
67I97.3Very high94.9Very high2 Ų247.2 Ų47.21%0.0127%0.267CS..PPolyproline II helixtrans-79.8135.7177-58.7175.1000108.3T14 I52 H56 N58 V71T14-I67 HydrophobicContact CG2-CD1 3.74Å; T14-I67 HydrophobicContact CG2-CG1 3.85Å; I52-I67 HydrophobicContact CB-CD1 4.32Å; I52-I67 HydrophobicContact CG1-CD1 3.84Å; I52-I67 HydrophobicContact CG2-CD1 3.88Å; I52-I67 HydrophobicContact CG2-CG2 4.49Å; H56-I67 WeakPolarHBondContact CB-O 3.48Å; H56-I67 PolarHBondContact O-N 3.21Å; N58-I67 HydrophobicContact CB-CD1 3.98Å; I67-V71 HydrophobicContact CG2-CB 3.53Å; I67-V71 HydrophobicContact CG2-CG1 3.84Å; I67-V71 HydrophobicContact CG2-CG2 3.66Å
68P97.8Very high94.9Very high18 Ų1845.7 Ų45.712%0.11726%0.262CS..PPolyproline II helixtrans-58.3143.5175.8-27.337.3000113.1K18 A21 D22 N70 V71K18-P68 HydrophobicContact CB-CG 4.34Å; K18-P68 HydrophobicContact CD-CG 4.5Å; K18-P68 HydrophobicContact CG-CG 3.89Å; A21-P68 HydrophobicContact CB-CB 3.93Å; A21-P68 HydrophobicContact CB-CG 4Å; D22-P68 WeakPolarHBondContact OD1-CG 3.39Å; P68-N70 WeakPolarHBondContact CB-OD1 3.47Å; P68-N70 PolarHBondContact O-N 2.91Å; P68-V71 HydrophobicContact CB-CG2 4.27Å; P68-V71 WeakPolarHBondContact O-CB 3.47Å; P68-V71 WeakPolarHBondContact O-CG2 3.45Å; P68-V71 PolarHBondContact O-N 3.26Å
69N97.3Very high94.9Very high118 Ų11850.7 Ų50.763%0.63129%0.286SS*.THydrogen-bonded Turntrans-61.3-20.6-175.7-63.4-19.4000114.1H56 V71H56-N69 PolarHBondContact CD2-OD1 2.85Å; H56-N69 PolarHBondContact NE2-OD1 3.13Å; N69-V71 VanDerWaalsContact C-N 3.29Å
70N97.9Very high95.1Very high28 Ų2849.5 Ų49.515%0.1528%0.278CS..THydrogen-bonded Turntrans-87.87.2178.466.6-42.8000113.4A21 S25 G32 R33 I34 P68A21-N70 PolarHBondContact O-ND2 3.33Å; S25-N70 PolarHBondContact OG-ND2 3Å; G32-N70 VanDerWaalsContact O-CB 3.24Å; G32-N70 WeakPolarHBondContact O-CB 3.5Å; G32-N70 PolarHBondContact O-ND2 3.41Å; R33-N70 CarbonylContact C-O 3.54Å; R33-N70 VanDerWaalsContact CA-O 3.26Å; R33-N70 WeakPolarHBondContact CA-O 3.32Å; R33-N70 HydrophobicContact CB-CB 4.46Å; R33-N70 WeakPolarHBondContact CB-O 3.47Å; I34-N70 PolarHBondContact N-O 2.78Å; P68-N70 WeakPolarHBondContact CB-OD1 3.47Å; P68-N70 PolarHBondContact O-N 2.91Å
71V98.4Very high95.5Very high0 Ų047.2 Ų47.20%026%0.264CS..EExtended strand (participates in β ladder)trans-92.6119.1166.5-176.60000109A17 A21 I34 M36 I67 P68 N69A17-V71 HydrophobicContact CB-CG1 4.26Å; A21-V71 HydrophobicContact CB-CG2 3.5Å; A21-V71 VanDerWaalsContact CB-CG2 3.5Å; I34-V71 HydrophobicContact CD1-CG1 4.41Å; I34-V71 HydrophobicContact CD1-CG2 3.98Å; I34-V71 HydrophobicContact CG1-CB 4.28Å; I34-V71 HydrophobicContact CG1-CG1 4.25Å; I34-V71 HydrophobicContact CG1-CG2 3.96Å; M36-V71 HydrophobicContact CB-CG1 4.26Å; I67-V71 HydrophobicContact CG2-CB 3.53Å; I67-V71 HydrophobicContact CG2-CG1 3.84Å; I67-V71 HydrophobicContact CG2-CG2 3.66Å; P68-V71 HydrophobicContact CB-CG2 4.27Å; P68-V71 WeakPolarHBondContact O-CB 3.47Å; P68-V71 WeakPolarHBondContact O-CG2 3.45Å; P68-V71 PolarHBondContact O-N 3.26Å; N69-V71 VanDerWaalsContact C-N 3.29Å
72I98.3Very high95.8Very high64 Ų6445.8 Ų45.833%0.32827%0.267SS..EExtended strand (participates in β ladder)trans-111.1115.4178.3-52.5-58000109.3I34 V35 M36 N53I34-I72 PolarHBondContact O-N 3.2Å; V35-I72 CarbonylContact C-O 3.36Å; V35-I72 VanDerWaalsContact CA-O 3.3Å; V35-I72 WeakPolarHBondContact CA-O 3.49Å; M36-I72 PolarHBondContact N-O 3.01Å; N53-I72 WeakPolarHBondContact OD1-CA 3.23Å
73A98.2Very high95.9Very high3 Ų347.7 Ų47.73%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-77.7141.817200000111.4M36 V38 V49 I52 N53M36-A73 CarbonylContact O-C 3.48Å; M36-A73 WeakPolarHBondContact O-CA 3.4Å; V38-A73 HydrophobicContact CB-CB 4.44Å; V38-A73 HydrophobicContact CG2-CB 3.75Å; V49-A73 HydrophobicContact CB-CB 4.28Å; V49-A73 HydrophobicContact CG1-CB 3.96Å; V49-A73 WeakPolarHBondContact CG1-O 3.46Å; V49-A73 HydrophobicContact CG2-CB 4.29Å; I52-A73 HydrophobicContact CB-CB 3.8Å; I52-A73 HydrophobicContact CD1-CB 4.14Å; I52-A73 HydrophobicContact CG2-CB 3.69Å; N53-A73 PolarHBondContact ND2-O 3.24Å; N53-A73 PolarHBondContact OD1-N 3.5Å
74N98Very high96.4Very high40 Ų4044.3 Ų44.321%0.21426%0.256CS..EExtended strand (participates in β ladder)trans-145.9136.4172.2-173.5-13.3000109.6V35 M36 Y37 V38 N76 E79 V80V35-N74 HydrophobicContact CG1-CB 4.22Å; M36-N74 PolarHBondContact O-N 3.16Å; Y37-N74 WeakPolarHBondContact CA-O 3.4Å; V38-N74 PolarHBondContact N-O 3.34Å; V38-N74 VanDerWaalsContact N-O 3.08Å; N74-N76 PolarHBondContact OD1-N 3.37Å; N74-E79 PolarHBondContact ND2-OE2 3.5Å; N74-V80 HydrophobicContact CB-CG2 3.72Å
75S97.1Very high96.9Very high50 Ų5042.5 Ų42.535%0.3524%0.239SC..SBendtrans-88.4-8.5177.755.80000114Y37 V38 I77Y37-S75 WeakPolarHBondContact CE2-O 3.49Å; V38-S75 VanDerWaalsContact O-CA 3.26Å; V38-S75 WeakPolarHBondContact O-CA 3.22Å; S75-I77 PolarHBondContact O-N 3.44Å
76N97Very high97.2Very high64 Ų6440.7 Ų40.734%0.34223%0.23SC..  trans-89.399.9170.9-172.4-18.2000110.6N74 A78 E79 V80N74-N76 PolarHBondContact OD1-N 3.37Å; N76-A78 VanDerWaalsContact C-N 3.28Å; N76-A78 PolarHBondContact O-N 3.15Å; N76-A78 WeakPolarHBondContact OD1-CB 3.47Å; N76-A78 PolarHBondContact OD1-N 3.3Å; N76-A78 VanDerWaalsContact OD1-N 3.09Å; N76-E79 HydrophobicContact CB-CB 4.12Å; N76-E79 HydrophobicContact CB-CG 4.1Å; N76-E79 VanDerWaalsContact ND2-CD 3.25Å; N76-E79 WeakPolarHBondContact ND2-CG 3.33Å; N76-E79 PolarHBondContact ND2-OE1 3.24Å; N76-E79 PolarHBondContact O-N 3.5Å; N76-E79 PolarHBondContact OD1-N 2.92Å; N76-V80 VanDerWaalsContact O-CG2 3.27Å; N76-V80 WeakPolarHBondContact O-CG2 3.49Å; N76-V80 PolarHBondContact O-N 3.24Å; N76-V80 VanDerWaalsContact O-N 3.13Å
77I96.2Very high97.2Very high13 Ų1335.9 Ų35.97%0.06720%0.2CC..Hα-helixtrans-62.5-32.5-178-162.2177.4000113.6L7 Y37 S75 V80 V81 L99 Q102 I103L7-I77 HydrophobicContact CD2-CG1 4.21Å; Y37-I77 HydrophobicContact CD1-CB 4.49Å; Y37-I77 HydrophobicContact CD1-CD1 3.94Å; Y37-I77 HydrophobicContact CD1-CG1 4.06Å; Y37-I77 HydrophobicContact CD2-CB 3.62Å; Y37-I77 HydrophobicContact CD2-CG1 3.93Å; Y37-I77 HydrophobicContact CE1-CD1 3.97Å; Y37-I77 HydrophobicContact CE1-CG1 4.36Å; Y37-I77 HydrophobicContact CE2-CB 3.64Å; Y37-I77 HydrophobicContact CE2-CG1 4.25Å; Y37-I77 HydrophobicContact CG-CB 4.06Å; Y37-I77 HydrophobicContact CG-CD1 4.23Å; Y37-I77 HydrophobicContact CG-CG1 3.82Å; S75-I77 PolarHBondContact O-N 3.44Å; I77-V80 PolarHBondContact O-N 3.35Å; I77-V81 WeakPolarHBondContact O-CG2 3.43Å; I77-V81 PolarHBondContact O-N 3.26Å; I77-L99 HydrophobicContact CD1-CD1 3.32Å; I77-L99 HydrophobicContact CD1-CG 4.01Å; I77-Q102 HydrophobicContact CD1-CB 4.15Å; I77-Q102 HydrophobicContact CG2-CB 3.75Å; I77-I103 HydrophobicContact CD1-CG2 3.5Å; I77-I103 HydrophobicContact CG1-CG2 3.64Å
78A96.4Very high97.1Very high20 Ų2036 Ų3617%0.16520%0.201CC..Hα-helixtrans-66.6-41.5178.700000111.2N76 V81 S82 H106N76-A78 VanDerWaalsContact C-N 3.28Å; N76-A78 PolarHBondContact O-N 3.15Å; N76-A78 WeakPolarHBondContact OD1-CB 3.47Å; N76-A78 PolarHBondContact OD1-N 3.3Å; N76-A78 VanDerWaalsContact OD1-N 3.09Å; A78-V81 WeakPolarHBondContact O-CG2 3.4Å; A78-S82 VanDerWaalsContact O-CB 3.28Å; A78-S82 WeakPolarHBondContact O-CB 3.24Å; A78-S82 PolarHBondContact O-N 3.15Å; A78-S82 PolarHBondContact O-OG 3.43Å; A78-H106 HydrophobicContact CB-CB 4.29Å
79E96.9Very high96.9Very high106 Ų10635.5 Ų35.550%0.49520%0.198SC..Hα-helixtrans-63.4-44.7174-74.7171.8-155.800111.2N74 N76 V81 S82N74-E79 PolarHBondContact ND2-OE2 3.5Å; N76-E79 HydrophobicContact CB-CB 4.12Å; N76-E79 HydrophobicContact CB-CG 4.1Å; N76-E79 VanDerWaalsContact ND2-CD 3.25Å; N76-E79 WeakPolarHBondContact ND2-CG 3.33Å; N76-E79 PolarHBondContact ND2-OE1 3.24Å; N76-E79 PolarHBondContact O-N 3.5Å; N76-E79 PolarHBondContact OD1-N 2.92Å; E79-V81 VanDerWaalsContact C-N 3.27Å; E79-V81 PolarHBondContact O-N 2.89Å; E79-S82 PolarHBondContact O-N 3.33Å; E79-S82 PolarHBondContact O-OG 2.95Å
80V97.5Very high96.6Very high5 Ų530.2 Ų30.23%0.0317%0.17CC..Hα-helixtrans-56.3-41-179.1173.40000111.9A5 L7 V35 N74 N76 I77A5-V80 HydrophobicContact CB-CG1 3.83Å; A5-V80 WeakPolarHBondContact CB-O 3.35Å; L7-V80 HydrophobicContact CD2-CG1 3.99Å; V35-V80 HydrophobicContact CG1-CB 4.38Å; V35-V80 HydrophobicContact CG1-CG1 4.22Å; V35-V80 HydrophobicContact CG1-CG2 3.94Å; N74-V80 HydrophobicContact CB-CG2 3.72Å; N76-V80 VanDerWaalsContact O-CG2 3.27Å; N76-V80 WeakPolarHBondContact O-CG2 3.49Å; N76-V80 PolarHBondContact O-N 3.24Å; N76-V80 VanDerWaalsContact O-N 3.13Å; I77-V80 PolarHBondContact O-N 3.35Å
81V97.6Very high96.1Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-90.8-19.7-176.6-600000114.6L7 I77 A78 E79 D83 A84 I87 I103 H106 V107L7-V81 HydrophobicContact CD1-CG1 4.33Å; L7-V81 HydrophobicContact CD2-CG1 3.8Å; I77-V81 WeakPolarHBondContact O-CG2 3.43Å; I77-V81 PolarHBondContact O-N 3.26Å; A78-V81 WeakPolarHBondContact O-CG2 3.4Å; E79-V81 VanDerWaalsContact C-N 3.27Å; E79-V81 PolarHBondContact O-N 2.89Å; V81-D83 VanDerWaalsContact C-N 3.32Å; V81-D83 PolarHBondContact O-N 3.17Å; V81-A84 PolarHBondContact O-N 3.23Å; V81-A84 VanDerWaalsContact O-N 3.09Å; V81-I87 HydrophobicContact CB-CD1 4.04Å; V81-I87 HydrophobicContact CG1-CD1 4.13Å; V81-I103 HydrophobicContact CB-CG2 4.43Å; V81-I103 HydrophobicContact CG1-CB 4.29Å; V81-I103 HydrophobicContact CG1-CG2 3.69Å; V81-I103 HydrophobicContact CG2-CB 4.01Å; V81-I103 HydrophobicContact CG2-CG2 4.02Å; V81-H106 HydrophobicContact CG2-CB 3.8Å; V81-V107 HydrophobicContact CB-CG2 4.18Å; V81-V107 HydrophobicContact CG2-CG2 4.08Å
82S96.8Very high95.4Very high61 Ų6134 Ų3443%0.42719%0.193SC..Hα-helixtrans-60.8-36.3-171.860.90000114.7A78 E79 H106A78-S82 VanDerWaalsContact O-CB 3.28Å; A78-S82 WeakPolarHBondContact O-CB 3.24Å; A78-S82 PolarHBondContact O-N 3.15Å; A78-S82 PolarHBondContact O-OG 3.43Å; E79-S82 PolarHBondContact O-N 3.33Å; E79-S82 PolarHBondContact O-OG 2.95Å; S82-H106 VanDerWaalsContact CA-O 3.25Å; S82-H106 WeakPolarHBondContact CA-O 3.5Å
83D94.4Very high94.4Very high84 Ų8434.6 Ų34.645%0.44920%0.203SC..THydrogen-bonded Turntrans-1023.3176.1-164.730.6000113.2Q3 V81 D85 K108Q3-D83 VanDerWaalsContact CB-O 3.29Å; Q3-D83 WeakPolarHBondContact CB-O 3.48Å; V81-D83 VanDerWaalsContact C-N 3.32Å; V81-D83 PolarHBondContact O-N 3.17Å; D83-D85 PolarHBondContact O-N 3.36Å; D83-K108 VanDerWaalsContact C-NZ 3.31Å; D83-K108 PolarHBondContact O-NZ 3.42Å; D83-K108 WeakPolarHBondContact OD1-CE 3.26Å; D83-K108 IonicContact OD1-NZ 3.75Å; D83-K108 PolarHBondContact OD1-NZ 3.11Å
84A97.6Very high93.4Very high0 Ų040.3 Ų40.30%022%0.224CC..  trans-78124.3-175.200000112.3A5 V81 I87A5-A84 HydrophobicContact CB-CB 3.49Å; A5-A84 VanDerWaalsContact CB-CB 3.49Å; V81-A84 PolarHBondContact O-N 3.23Å; V81-A84 VanDerWaalsContact O-N 3.09Å; A84-I87 HydrophobicContact CB-CD1 4.38Å; A84-I87 HydrophobicContact CB-CG1 3.67Å
85D97.7Very high92.9Very high46 Ų4643.2 Ų43.225%0.24623%0.232CC..SBendtrans-87.1-24.8168.8-53-59.9000111.3K2 Q3 D83 K108 A111 Y112K2-D85 VanDerWaalsContact CA-OD2 3.25Å; K2-D85 WeakPolarHBondContact CA-OD2 3.46Å; K2-D85 HydrophobicContact CB-CB 4.27Å; Q3-D85 PolarHBondContact N-OD2 3.39Å; Q3-D85 PolarHBondContact O-N 3.43Å; D83-D85 PolarHBondContact O-N 3.36Å; D85-K108 WeakPolarHBondContact OD1-CD 3.16Å; D85-K108 IonicContact OD1-NZ 3.21Å; D85-K108 PolarHBondContact OD1-NZ 2.91Å; D85-K108 IonicContact OD2-NZ 2.95Å; D85-A111 WeakPolarHBondContact O-CA 3.43Å; D85-Y112 PolarHBondContact O-N 2.99Å
86I97Very high92.3Very high31 Ų3142.7 Ų42.716%0.15923%0.227CC..EExtended strand (participates in β ladder)trans-127.9122.8171.4-55-172.1000109.3Q3 V4 A5 F30 V88 Y112 V114Q3-I86 PolarHBondContact O-N 3.38Å; Q3-I86 VanDerWaalsContact O-N 3.1Å; V4-I86 WeakPolarHBondContact CA-O 3.45Å; V4-I86 HydrophobicContact CG1-CB 4.4Å; V4-I86 HydrophobicContact CG1-CG2 4.48Å; V4-I86 HydrophobicContact CG2-CB 4.34Å; A5-I86 PolarHBondContact N-O 3.38Å; F30-I86 HydrophobicContact CE1-CD1 3.6Å; F30-I86 HydrophobicContact CZ-CD1 4.2Å; I86-V88 HydrophobicContact CG2-CG2 4.23Å; I86-Y112 CarbonylContact C-O 3.46Å; I86-Y112 WeakPolarHBondContact CA-O 3.36Å; I86-V114 HydrophobicContact CG2-CG2 3.82Å
87I96.5Very high91.8Very high0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-110.2111178.2-60.2172.4000108.8L7 V81 A84 V107 A111 Y112 F113 V114L7-I87 HydrophobicContact CD1-CG2 3.56Å; L7-I87 HydrophobicContact CG-CG2 3.82Å; V81-I87 HydrophobicContact CB-CD1 4.04Å; V81-I87 HydrophobicContact CG1-CD1 4.13Å; A84-I87 HydrophobicContact CB-CD1 4.38Å; A84-I87 HydrophobicContact CB-CG1 3.67Å; I87-V107 HydrophobicContact CD1-CB 4.33Å; I87-V107 HydrophobicContact CD1-CG1 3.6Å; I87-V107 HydrophobicContact CD1-CG2 3.83Å; I87-A111 HydrophobicContact CD1-CB 4.22Å; I87-Y112 PolarHBondContact N-O 3.2Å; I87-F113 HydrophobicContact CB-CD1 4Å; I87-F113 HydrophobicContact CB-CE1 4Å; I87-F113 HydrophobicContact CD1-CE1 4.03Å; I87-F113 HydrophobicContact CD1-CE2 4.41Å; I87-F113 HydrophobicContact CD1-CZ 3.83Å; I87-F113 HydrophobicContact CG2-CD1 3.96Å; I87-F113 HydrophobicContact CG2-CE1 3.78Å; I87-F113 CarbonylContact O-C 3.54Å; I87-F113 WeakPolarHBondContact O-CA 3.31Å; I87-V114 PolarHBondContact O-N 3.26Å
88V95.2Very high91.6Very high4 Ų450.4 Ų50.42%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-92116.5179.2179.10000109.4V4 A5 V6 L7 I16 I20 I86 A90 V114 F116V4-V88 HydrophobicContact CG1-CG2 4.01Å; A5-V88 WeakPolarHBondContact O-CB 3.11Å; A5-V88 PolarHBondContact O-N 3.37Å; V6-V88 CarbonylContact C-O 3.57Å; V6-V88 HydrophobicContact CG1-CG1 4.44Å; V6-V88 HydrophobicContact CG2-CB 4.15Å; L7-V88 PolarHBondContact N-O 3.36Å; I16-V88 HydrophobicContact CG2-CG1 3.96Å; I20-V88 HydrophobicContact CD1-CB 4.36Å; I20-V88 HydrophobicContact CD1-CG1 4.19Å; I20-V88 HydrophobicContact CD1-CG2 3.76Å; I86-V88 HydrophobicContact CG2-CG2 4.23Å; V88-A90 PolarHBondContact O-N 3.47Å; V88-V114 CarbonylContact C-O 3.56Å; V88-V114 WeakPolarHBondContact CA-O 3.41Å; V88-V114 HydrophobicContact CG2-CB 4.23Å; V88-F116 HydrophobicContact CG1-CD2 3.46Å; V88-F116 VanDerWaalsContact CG1-CD2 3.46Å; V88-F116 HydrophobicContact CG1-CE2 3.41Å; V88-F116 VanDerWaalsContact CG1-CE2 3.41Å
89V93Very high91.4Very high8 Ų849.4 Ų49.45%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-93.8100.9177.7-173.90000108.8L7 V96 L99 F113 V114 F116L7-V89 HydrophobicContact CD1-CG2 4.49Å; V89-V96 HydrophobicContact CG1-CG2 4.21Å; V89-L99 HydrophobicContact CG1-CD2 4.06Å; V89-F113 HydrophobicContact CG2-CD1 4.05Å; V89-V114 PolarHBondContact N-O 3.14Å; V89-F116 PolarHBondContact O-N 3.14Å
90A90.1Very high91.1Very high7 Ų748 Ų486%0.05824%0.244CC..  trans-124.660.3175.900000109V6 L7 S13 I16 V88V6-A90 HydrophobicContact CG1-CB 4.4Å; L7-A90 CarbonylContact O-C 2.96Å; L7-A90 PolarHBondContact O-N 3.31Å; L7-A90 VanDerWaalsContact O-N 3.17Å; S13-A90 VanDerWaalsContact CB-O 3.28Å; S13-A90 WeakPolarHBondContact CB-O 3.48Å; S13-A90 PolarHBondContact OG-O 3.36Å; I16-A90 HydrophobicContact CD1-CB 3.57Å; V88-A90 PolarHBondContact O-N 3.47Å
91Y88Confident90.9Very high30 Ų3056.6 Ų56.612%0.11828%0.276CS..SBendtrans-123.9148.7-172-149-97.4000109.6G8 Y37 S93 Y95 W98 L99G8-Y91 VanDerWaalsContact CA-CD2 3.45Å; Y37-Y91 HydrophobicContact CD1-CE2 4.1Å; Y37-Y91 AromaticContact CE1-CE2 3.91Å; Y37-Y91 HydrophobicContact CE1-CE2 3.91Å; Y91-S93 PolarHBondContact O-N 3.15Å; Y91-Y95 HydrophobicContact CE1-CD2 4.03Å; Y91-Y95 HydrophobicContact CE1-CG 4.04Å; Y91-W98 HydrophobicContact CE1-CZ3 4.42Å; Y91-L99 HydrophobicContact CD1-CD1 4.39Å; Y91-L99 HydrophobicContact CD1-CD2 4.47Å; Y91-L99 HydrophobicContact CD2-CD1 4.03Å; Y91-L99 HydrophobicContact CD2-CD2 4.41Å; Y91-L99 HydrophobicContact CE1-CD1 4.43Å; Y91-L99 HydrophobicContact CE2-CD1 4.07Å; Y91-L99 HydrophobicContact CG-CD1 4.21Å; Y91-L99 HydrophobicContact CG-CD2 4.04Å
92P83Confident90.8Very high77 Ų7760.6 Ų60.650%0.529%0.294SS..  trans-52.8128.6174.7-24.631.9000111.1R94 Y95P92-R94 PolarHBondContact O-N 3Å; P92-R94 VanDerWaalsContact O-N 3.13Å; P92-Y95 HydrophobicContact CB-CD2 3.95Å; P92-Y95 HydrophobicContact CG-CD2 4.28Å; P92-Y95 PolarHBondContact O-N 3.26Å
93S79Confident90.7Very high78 Ų7857.9 Ų57.955%0.54528%0.275SS..G310 helixtrans-53.6-39-169.954.80000113.1Y91 Y95 V96Y91-S93 PolarHBondContact O-N 3.15Å; S93-Y95 PolarHBondContact O-N 3.33Å; S93-Y95 VanDerWaalsContact O-N 3.17Å; S93-V96 WeakPolarHBondContact O-CB 3.18Å; S93-V96 PolarHBondContact O-N 2.96Å; S93-V96 VanDerWaalsContact O-N 3.09Å
94R76.6Confident90.7Very high123 Ų12360.1 Ų60.146%0.46429%0.287SS..G310 helixtrans-58.8-28.1179.176.6178-167.8-168.3-3114.1P92 E134P92-R94 PolarHBondContact O-N 3Å; P92-R94 VanDerWaalsContact O-N 3.13Å; R94-E134 IonicContact CZ-OE1 2.71Å; R94-E134 IonicContact NH1-OE1 2.77Å; R94-E134 PolarHBondContact NH1-OE1 3.06Å
95Y86.6Confident90.6Very high100 Ų10063.7 Ų63.739%0.39232%0.324SS..G310 helixtrans-98.5-2.2-179-62.3-58.3000113.3Y91 P92 S93 Q97 W98 L99Y91-Y95 HydrophobicContact CE1-CD2 4.03Å; Y91-Y95 HydrophobicContact CE1-CG 4.04Å; P92-Y95 HydrophobicContact CB-CD2 3.95Å; P92-Y95 HydrophobicContact CG-CD2 4.28Å; P92-Y95 PolarHBondContact O-N 3.26Å; S93-Y95 PolarHBondContact O-N 3.33Å; S93-Y95 VanDerWaalsContact O-N 3.17Å; Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 3.32Å; Y95-W98 WeakPolarHBondContact O-CB 3.48Å; Y95-W98 PolarHBondContact O-N 3.37Å; Y95-W98 VanDerWaalsContact O-N 3.09Å; Y95-L99 WeakPolarHBondContact O-CB 3.3Å; Y95-L99 PolarHBondContact O-N 3.2Å
96V85.6Confident90.6Very high39 Ų3965.9 Ų65.924%0.23633%0.332CS..Hα-helixtrans-59.7-39.5-179.4172.60000110.9V89 S93 W98 L99 I100V89-V96 HydrophobicContact CG1-CG2 4.21Å; S93-V96 WeakPolarHBondContact O-CB 3.18Å; S93-V96 PolarHBondContact O-N 2.96Å; S93-V96 VanDerWaalsContact O-N 3.09Å; V96-W98 VanDerWaalsContact C-N 3.33Å; V96-W98 PolarHBondContact O-N 3.4Å; V96-L99 WeakPolarHBondContact O-CB 3.38Å; V96-L99 PolarHBondContact O-N 2.89Å; V96-I100 HydrophobicContact CG1-CG1 4.15Å; V96-I100 VanDerWaalsContact O-CG1 3.28Å; V96-I100 WeakPolarHBondContact O-CG1 3.14Å; V96-I100 PolarHBondContact O-N 2.82Å
97Q86.7Confident90.6Very high147 Ų14766.5 Ų66.569%0.68734%0.338SS*.Hα-helixtrans-60.9-42.5175.7-67.3-172.47.100112.5Y95 R101Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 3.32Å; Q97-R101 WeakPolarHBondContact O-CG 3.4Å; Q97-R101 PolarHBondContact O-N 2.88Å
98W91.7Very high90.6Very high92 Ų9269.6 Ų69.635%0.34835%0.351SS..Hα-helixtrans-63.6-45.7174.9169.587.4000111Y39 Y91 Y95 V96 I100 R101 Q102Y39-W98 HydrophobicContact CD2-CH2 4.5Å; Y91-W98 HydrophobicContact CE1-CZ3 4.42Å; Y95-W98 WeakPolarHBondContact O-CB 3.48Å; Y95-W98 PolarHBondContact O-N 3.37Å; Y95-W98 VanDerWaalsContact O-N 3.09Å; V96-W98 VanDerWaalsContact C-N 3.33Å; V96-W98 PolarHBondContact O-N 3.4Å; W98-I100 PolarHBondContact O-N 2.99Å; W98-R101 WeakPolarHBondContact O-CB 3.27Å; W98-R101 PolarHBondContact O-N 3.33Å; W98-R101 VanDerWaalsContact O-N 3.11Å; W98-Q102 HydrophobicContact CD2-CG 4.05Å; W98-Q102 HydrophobicContact CE3-CG 4.39Å; W98-Q102 HydrophobicContact CH2-CG 4.03Å; W98-Q102 HydrophobicContact CZ2-CG 3.67Å; W98-Q102 HydrophobicContact CZ3-CG 4.38Å; W98-Q102 WeakPolarHBondContact O-CG 3.43Å; W98-Q102 PolarHBondContact O-N 2.89Å; W98-Q102 VanDerWaalsContact O-N 3.1Å
99L91.1Very high90.5Very high0 Ų078.6 Ų78.60%039%0.393CS..Hα-helixtrans-57.7-47.4179.2-169.881.3000111.8L7 Y37 I77 V89 Y91 Y95 V96 R101 Q102 I103L7-L99 HydrophobicContact CB-CD1 4.43Å; L7-L99 HydrophobicContact CB-CD2 3.88Å; L7-L99 HydrophobicContact CD1-CD1 4.5Å; L7-L99 HydrophobicContact CD1-CD2 3.72Å; L7-L99 HydrophobicContact CD1-CG 4.08Å; L7-L99 HydrophobicContact CG-CD2 4.46Å; Y37-L99 HydrophobicContact CD1-CD1 4.12Å; Y37-L99 HydrophobicContact CE1-CD1 4.06Å; I77-L99 HydrophobicContact CD1-CD1 3.32Å; I77-L99 HydrophobicContact CD1-CG 4.01Å; V89-L99 HydrophobicContact CG1-CD2 4.06Å; Y91-L99 HydrophobicContact CD1-CD1 4.39Å; Y91-L99 HydrophobicContact CD1-CD2 4.47Å; Y91-L99 HydrophobicContact CD2-CD1 4.03Å; Y91-L99 HydrophobicContact CD2-CD2 4.41Å; Y91-L99 HydrophobicContact CE1-CD1 4.43Å; Y91-L99 HydrophobicContact CE2-CD1 4.07Å; Y91-L99 HydrophobicContact CG-CD1 4.21Å; Y91-L99 HydrophobicContact CG-CD2 4.04Å; Y95-L99 WeakPolarHBondContact O-CB 3.3Å; Y95-L99 PolarHBondContact O-N 3.2Å; V96-L99 WeakPolarHBondContact O-CB 3.38Å; V96-L99 PolarHBondContact O-N 2.89Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 3.38Å; L99-Q102 WeakPolarHBondContact O-CB 3.47Å; L99-Q102 PolarHBondContact O-N 2.96Å; L99-Q102 VanDerWaalsContact O-N 3.08Å; L99-I103 PolarHBondContact O-N 3.01Å
100I91.2Very high90.6Very high76 Ų7684.8 Ų84.839%0.3943%0.426SS..Hα-helixtrans-61-37.5177.6-66.2-58.4000111.2V96 W98 Q102 I103 N104 F113V96-I100 HydrophobicContact CG1-CG1 4.15Å; V96-I100 VanDerWaalsContact O-CG1 3.28Å; V96-I100 WeakPolarHBondContact O-CG1 3.14Å; V96-I100 PolarHBondContact O-N 2.82Å; W98-I100 PolarHBondContact O-N 2.99Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.24Å; I100-I103 HydrophobicContact CD1-CD1 3.91Å; I100-I103 WeakPolarHBondContact O-CG1 3.17Å; I100-I103 PolarHBondContact O-N 3.34Å; I100-N104 PolarHBondContact O-N 3.26Å; I100-F113 HydrophobicContact CD1-CE1 4.43Å
101R94.4Very high90.8Very high185 Ų18585.3 Ų85.370%0.69843%0.43SS*.Hα-helixtrans-65.3-36.6174.8-70174.5-177174.32.9112.4Q97 W98 L99 N104Q97-R101 WeakPolarHBondContact O-CG 3.4Å; Q97-R101 PolarHBondContact O-N 2.88Å; W98-R101 WeakPolarHBondContact O-CB 3.27Å; W98-R101 PolarHBondContact O-N 3.33Å; W98-R101 VanDerWaalsContact O-N 3.11Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 3.38Å; R101-N104 WeakPolarHBondContact O-CB 3.33Å
102Q94.3Very high91.2Very high84 Ų8492 Ų9239%0.39346%0.456SS..Hα-helixtrans-69.4-34.2-180-63-53.7-58.200113I77 W98 L99 I100I77-Q102 HydrophobicContact CD1-CB 4.15Å; I77-Q102 HydrophobicContact CG2-CB 3.75Å; W98-Q102 HydrophobicContact CD2-CG 4.05Å; W98-Q102 HydrophobicContact CE3-CG 4.39Å; W98-Q102 HydrophobicContact CH2-CG 4.03Å; W98-Q102 HydrophobicContact CZ2-CG 3.67Å; W98-Q102 HydrophobicContact CZ3-CG 4.38Å; W98-Q102 WeakPolarHBondContact O-CG 3.43Å; W98-Q102 PolarHBondContact O-N 2.89Å; W98-Q102 VanDerWaalsContact O-N 3.1Å; L99-Q102 WeakPolarHBondContact O-CB 3.47Å; L99-Q102 PolarHBondContact O-N 2.96Å; L99-Q102 VanDerWaalsContact O-N 3.08Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.24Å
103I95.8Very high91.6Very high4 Ų493.1 Ų93.12%0.02145%0.454CS..Hα-helixtrans-87.1-8.6-179.166.5175.6000113.1L7 I77 V81 L99 I100 G105 H106 V107 F113L7-I103 HydrophobicContact CD1-CD1 4.36Å; L7-I103 HydrophobicContact CD1-CG2 4.44Å; I77-I103 HydrophobicContact CD1-CG2 3.5Å; I77-I103 HydrophobicContact CG1-CG2 3.64Å; V81-I103 HydrophobicContact CB-CG2 4.43Å; V81-I103 HydrophobicContact CG1-CB 4.29Å; V81-I103 HydrophobicContact CG1-CG2 3.69Å; V81-I103 HydrophobicContact CG2-CB 4.01Å; V81-I103 HydrophobicContact CG2-CG2 4.02Å; L99-I103 PolarHBondContact O-N 3.01Å; I100-I103 HydrophobicContact CD1-CD1 3.91Å; I100-I103 WeakPolarHBondContact O-CG1 3.17Å; I100-I103 PolarHBondContact O-N 3.34Å; I103-G105 PolarHBondContact O-N 2.93Å; I103-H106 PolarHBondContact O-N 3.09Å; I103-V107 HydrophobicContact CB-CG2 3.97Å; I103-V107 HydrophobicContact CD1-CG2 3.98Å; I103-V107 HydrophobicContact CG1-CG2 4.08Å; I103-F113 HydrophobicContact CD1-CE1 3.77Å; I103-F113 HydrophobicContact CD1-CZ 4Å
104N93.6Very high92.2Very high131 Ų13192.3 Ų92.370%0.70145%0.445SS*.THydrogen-bonded Turntrans-57.5131.4-178.3-171.228.5000110.9I100 R101 H106I100-N104 PolarHBondContact O-N 3.26Å; R101-N104 WeakPolarHBondContact O-CB 3.33Å; N104-H106 VanDerWaalsContact C-N 3.27Å; N104-H106 PolarHBondContact O-N 3.5Å; N104-H106 PolarHBondContact O-ND1 2.76Å; N104-H106 VanDerWaalsContact O-ND1 3.1Å
105G95.6Very high92.6Very high75 Ų7589.1 Ų89.177%0.77344%0.442SS*.THydrogen-bonded Turntrans79.7-4.6-176.100000115.9I103I103-G105 PolarHBondContact O-N 2.93Å
106H97.2Very high92.2Very high92 Ų9287.1 Ų87.143%0.42644%0.435SS..THydrogen-bonded Turntrans-110.5-5.7-179.4-56.794.7000113.3A78 V81 S82 I103 N104A78-H106 HydrophobicContact CB-CB 4.29Å; V81-H106 HydrophobicContact CG2-CB 3.8Å; S82-H106 VanDerWaalsContact CA-O 3.25Å; S82-H106 WeakPolarHBondContact CA-O 3.5Å; I103-H106 PolarHBondContact O-N 3.09Å; N104-H106 VanDerWaalsContact C-N 3.27Å; N104-H106 PolarHBondContact O-N 3.5Å; N104-H106 PolarHBondContact O-ND1 2.76Å; N104-H106 VanDerWaalsContact O-ND1 3.1Å
107V97.2Very high91.4Very high44 Ų4486.2 Ų86.227%0.26743%0.43SS..SBendtrans-92.9137.8-174.9176.90000110.8V81 I87 I103 A111 F113V81-V107 HydrophobicContact CB-CG2 4.18Å; V81-V107 HydrophobicContact CG2-CG2 4.08Å; I87-V107 HydrophobicContact CD1-CB 4.33Å; I87-V107 HydrophobicContact CD1-CG1 3.6Å; I87-V107 HydrophobicContact CD1-CG2 3.83Å; I103-V107 HydrophobicContact CB-CG2 3.97Å; I103-V107 HydrophobicContact CD1-CG2 3.98Å; I103-V107 HydrophobicContact CG1-CG2 4.08Å; V107-A111 HydrophobicContact CG1-CB 3.59Å; V107-F113 HydrophobicContact CG1-CE2 4.08Å; V107-F113 HydrophobicContact CG1-CZ 4.01Å; V107-F113 HydrophobicContact CG2-CZ 4.27Å
108K96.7Very high90.6Very high66 Ų6685.3 Ų85.329%0.28742%0.424SS..  trans-57.8139.4171.6-68.1176.1174166.70110.7D83 D85 N110 A111D83-K108 VanDerWaalsContact C-NZ 3.31Å; D83-K108 PolarHBondContact O-NZ 3.42Å; D83-K108 WeakPolarHBondContact OD1-CE 3.26Å; D83-K108 IonicContact OD1-NZ 3.75Å; D83-K108 PolarHBondContact OD1-NZ 3.11Å; D85-K108 WeakPolarHBondContact OD1-CD 3.16Å; D85-K108 IonicContact OD1-NZ 3.21Å; D85-K108 PolarHBondContact OD1-NZ 2.91Å; D85-K108 IonicContact OD2-NZ 2.95Å; K108-N110 PolarHBondContact O-N 2.85Å; K108-N110 VanDerWaalsContact O-N 3.13Å; K108-A111 HydrophobicContact CB-CB 4.22Å; K108-A111 VanDerWaalsContact O-CB 3.3Å; K108-A111 WeakPolarHBondContact O-CB 3.49Å; K108-A111 PolarHBondContact O-N 3.22Å
109E93.8Very high89.7Confident192 Ų19282.6 Ų82.690%0.89742%0.418SS*.THydrogen-bonded Turntrans-55.7-34.6-179.3-171.9175.2-173.200113.3
110N93.6Very high89.1Confident139 Ų13991.2 Ų91.274%0.74346%0.464SS*.THydrogen-bonded Turntrans-99.216.2-179.2-62.8-39.9000113.8K108K108-N110 PolarHBondContact O-N 2.85Å; K108-N110 VanDerWaalsContact O-N 3.13Å
111A96.1Very high88.6Confident18 Ų1897.2 Ų97.215%0.14948%0.483CS..PPolyproline II helixtrans-69.1136.9178.900000111.7D85 I87 V107 K108D85-A111 WeakPolarHBondContact O-CA 3.43Å; I87-A111 HydrophobicContact CD1-CB 4.22Å; V107-A111 HydrophobicContact CG1-CB 3.59Å; K108-A111 HydrophobicContact CB-CB 4.22Å; K108-A111 VanDerWaalsContact O-CB 3.3Å; K108-A111 WeakPolarHBondContact O-CB 3.49Å; K108-A111 PolarHBondContact O-N 3.22Å
112Y94.5Very high87.8Confident170 Ų17092.1 Ų92.167%0.66747%0.469SS*.EExtended strand (participates in β ladder)trans-91.8133173.4-69-86000111D85 I86 I87D85-Y112 PolarHBondContact O-N 2.99Å; I86-Y112 CarbonylContact C-O 3.46Å; I86-Y112 WeakPolarHBondContact CA-O 3.36Å; I87-Y112 PolarHBondContact N-O 3.2Å
113F92.9Very high86.9Confident101 Ų10198.4 Ų98.444%0.44349%0.489SS..EExtended strand (participates in β ladder)trans-96.6127.5171.6-74.1-96.4000110.8I87 V89 I100 I103 V107I87-F113 HydrophobicContact CB-CD1 4Å; I87-F113 HydrophobicContact CB-CE1 4Å; I87-F113 HydrophobicContact CD1-CE1 4.03Å; I87-F113 HydrophobicContact CD1-CE2 4.41Å; I87-F113 HydrophobicContact CD1-CZ 3.83Å; I87-F113 HydrophobicContact CG2-CD1 3.96Å; I87-F113 HydrophobicContact CG2-CE1 3.78Å; I87-F113 CarbonylContact O-C 3.54Å; I87-F113 WeakPolarHBondContact O-CA 3.31Å; V89-F113 HydrophobicContact CG2-CD1 4.05Å; I100-F113 HydrophobicContact CD1-CE1 4.43Å; I103-F113 HydrophobicContact CD1-CE1 3.77Å; I103-F113 HydrophobicContact CD1-CZ 4Å; V107-F113 HydrophobicContact CG1-CE2 4.08Å; V107-F113 HydrophobicContact CG1-CZ 4.01Å; V107-F113 HydrophobicContact CG2-CZ 4.27Å
114V90.3Very high85.9Confident60 Ų60102 Ų10236%0.36451%0.507SS..EExtended strand (participates in β ladder)trans-112.8110.3171.9-179.50000108I86 I87 V88 V89 F116I86-V114 HydrophobicContact CG2-CG2 3.82Å; I87-V114 PolarHBondContact O-N 3.26Å; V88-V114 CarbonylContact C-O 3.56Å; V88-V114 WeakPolarHBondContact CA-O 3.41Å; V88-V114 HydrophobicContact CG2-CB 4.23Å; V89-V114 PolarHBondContact N-O 3.14Å; V114-F116 HydrophobicContact CG1-CD2 4.1Å; V114-F116 HydrophobicContact CG1-CE2 3.7Å; V114-F116 HydrophobicContact CG1-CZ 4.49Å
115S85.3Confident85.1Confident56 Ų56100.9 Ų100.939%0.39251%0.505SS..EExtended strand (participates in β ladder)trans-93.3121175.8-171.20000110.1C117S115-C117 PolarHBondContact O-N 2.73Å; S115-C117 VanDerWaalsContact OG-CB 3.29Å; S115-C117 WeakPolarHBondContact OG-CB 3.37Å; S115-C117 PolarHBondContact OG-N 3.16Å
116F78Confident84.3Confident59 Ų59104.8 Ų104.826%0.25951%0.506SS..THydrogen-bonded Turntrans-84.54.4168.7-80-99.4000112.5W12 I16 V88 V89 V114 K118W12-F116 HydrophobicContact CZ2-CB 4.48Å; W12-F116 AromaticContact CZ2-CD1 3.97Å; W12-F116 HydrophobicContact CZ2-CD1 3.97Å; I16-F116 HydrophobicContact CD1-CB 3.66Å; I16-F116 HydrophobicContact CD1-CD1 3.55Å; I16-F116 HydrophobicContact CD1-CD2 3.86Å; I16-F116 HydrophobicContact CD1-CE1 4.11Å; I16-F116 HydrophobicContact CD1-CE2 4.39Å; I16-F116 HydrophobicContact CD1-CG 3.39Å; I16-F116 HydrophobicContact CD1-CZ 4.49Å; I16-F116 HydrophobicContact CG1-CD1 4.05Å; I16-F116 HydrophobicContact CG1-CE1 4.13Å; I16-F116 HydrophobicContact CG1-CG 4.29Å; I16-F116 HydrophobicContact CG1-CZ 4.46Å; I16-F116 HydrophobicContact CG2-CD2 4.37Å; I16-F116 HydrophobicContact CG2-CE2 3.99Å; I16-F116 HydrophobicContact CG2-CZ 4.09Å; V88-F116 HydrophobicContact CG1-CD2 3.46Å; V88-F116 VanDerWaalsContact CG1-CD2 3.46Å; V88-F116 HydrophobicContact CG1-CE2 3.41Å; V88-F116 VanDerWaalsContact CG1-CE2 3.41Å; V89-F116 PolarHBondContact O-N 3.14Å; V114-F116 HydrophobicContact CG1-CD2 4.1Å; V114-F116 HydrophobicContact CG1-CE2 3.7Å; V114-F116 HydrophobicContact CG1-CZ 4.49Å; F116-K118 VanDerWaalsContact C-N 3.35Å
117C69.8Low83.6Confident20 Ų20103.3 Ų103.314%0.13550%0.504CS..THydrogen-bonded Turntrans-81.7-18.1175.3-56.60000111.4S115 M124S115-C117 PolarHBondContact O-N 2.73Å; S115-C117 VanDerWaalsContact OG-CB 3.29Å; S115-C117 WeakPolarHBondContact OG-CB 3.37Å; S115-C117 PolarHBondContact OG-N 3.16Å; C117-M124 HydrophobicContact CB-CE 3.47Å; C117-M124 VanDerWaalsContact CB-CE 3.47Å; C117-M124 HydrophobicContact CB-SD 4.25Å; C117-M124 WeakPolarHBondContact O-CE 3.02Å; C117-M124 WeakPolarHBondContact O-CG 3.22Å
118K69.8Low83Confident127 Ų127110.5 Ų110.555%0.55253%0.534SS*.  trans-150.6128.4-179.3-170.2175.9177.7-179.40111F116 L122F116-K118 VanDerWaalsContact C-N 3.35Å; K118-L122 CarbonylContact C-O 3.42Å; K118-L122 WeakPolarHBondContact CA-O 3.35Å
119T73.2Confident82.6Confident35 Ų35107.6 Ų107.622%0.21552%0.522CS..BIsolated β-bridgetrans-135.4173.9176.373.70000109.7Y121 L122T119-Y121 HydrophobicContact CG2-CE1 4.31Å; T119-Y121 HydrophobicContact CG2-CE2 4.45Å; T119-Y121 PolarHBondContact O-N 3.29Å; T119-Y121 WeakPolarHBondContact OG1-CD1 3.37Å; T119-Y121 VanDerWaalsContact OG1-CD2 3.3Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.5Å; T119-Y121 WeakPolarHBondContact OG1-CE1 3.13Å; T119-Y121 VanDerWaalsContact OG1-CE2 3.31Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.49Å; T119-Y121 PolarHBondContact OG1-N 3.11Å; T119-L122 PolarHBondContact N-O 3.35Å; T119-L122 CarbonylContact O-C 3.51Å; T119-L122 PolarHBondContact O-N 2.99Å; T119-L122 VanDerWaalsContact O-N 3.11Å; T119-L122 VanDerWaalsContact OG1-CB 3.25Å; T119-L122 WeakPolarHBondContact OG1-CB 3.4Å; T119-L122 PolarHBondContact OG1-N 3.24Å
120D78.5Confident82.3Confident182 Ų182101.9 Ų101.997%0.97350%0.498SS*.THydrogen-bonded Turntrans-59.8-25.6176.2-66.3-27.4000113.1
121Y80.1Confident82.2Confident201 Ų20196.1 Ų96.179%0.78847%0.468SS*.THydrogen-bonded Turntrans-105.8-3.117856.8-91.8000113.4T119T119-Y121 HydrophobicContact CG2-CE1 4.31Å; T119-Y121 HydrophobicContact CG2-CE2 4.45Å; T119-Y121 PolarHBondContact O-N 3.29Å; T119-Y121 WeakPolarHBondContact OG1-CD1 3.37Å; T119-Y121 VanDerWaalsContact OG1-CD2 3.3Å; T119-Y121 WeakPolarHBondContact OG1-CD2 3.5Å; T119-Y121 WeakPolarHBondContact OG1-CE1 3.13Å; T119-Y121 VanDerWaalsContact OG1-CE2 3.31Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.49Å; T119-Y121 PolarHBondContact OG1-N 3.11Å
122L76.8Confident82.1Confident79 Ų7995.3 Ų95.341%0.41446%0.46SS..BIsolated β-bridgetrans-132.599.5179.3-178.966000110.1K118 T119K118-L122 CarbonylContact C-O 3.42Å; K118-L122 WeakPolarHBondContact CA-O 3.35Å; T119-L122 PolarHBondContact N-O 3.35Å; T119-L122 CarbonylContact O-C 3.51Å; T119-L122 PolarHBondContact O-N 2.99Å; T119-L122 VanDerWaalsContact O-N 3.11Å; T119-L122 VanDerWaalsContact OG1-CB 3.25Å; T119-L122 WeakPolarHBondContact OG1-CB 3.4Å; T119-L122 PolarHBondContact OG1-N 3.24Å
123R75.6Confident82Confident216 Ų21689.7 Ų89.782%0.81544%0.444SS*.  trans-106.7111176.1-170.6174.7-174.2161.80.8110.2
124M76.2Confident81.8Confident79 Ų7990.3 Ų90.339%0.38945%0.448SS..PPolyproline II helixtrans-84.9144.2173.4-63.5-169.6-36.800112C117C117-M124 HydrophobicContact CB-CE 3.47Å; C117-M124 VanDerWaalsContact CB-CE 3.47Å; C117-M124 HydrophobicContact CB-SD 4.25Å; C117-M124 WeakPolarHBondContact O-CE 3.02Å; C117-M124 WeakPolarHBondContact O-CG 3.22Å
125V76.9Confident82Confident107 Ų10788.3 Ų88.365%0.64844%0.435SS*.PPolyproline II helixtrans-95.9131164.4178.40000107.6
126I78.3Confident82.4Confident157 Ų15785.6 Ų85.681%0.80542%0.417SS*.PPolyproline II helixtrans-92.2127.1176.1-57.3175.5000107.5
127T82.2Confident82.9Confident61 Ų6183.9 Ų83.937%0.37442%0.416SS..  trans-115.7151.7171.4-176.50000110.1D129 V133T127-D129 PolarHBondContact OG1-N 2.85Å; T127-D129 VanDerWaalsContact OG1-N 3.1Å; T127-V133 HydrophobicContact CG2-CG2 3.5Å
128Q84.3Confident83.9Confident195 Ų19583.1 Ų83.191%0.91141%0.411SS*.SBendtrans-87.9-12.7169.7-64.8-176.30.400112D130Q128-D130 PolarHBondContact O-N 3.4Å
129D89.7Confident85.1Confident6 Ų677.1 Ų77.13%0.03239%0.385CS..  trans-88.472.4178.1-178.116.4000110.7T127 G132 V133 T184 D185 T188T127-D129 PolarHBondContact OG1-N 2.85Å; T127-D129 VanDerWaalsContact OG1-N 3.1Å; D129-G132 VanDerWaalsContact OD1-CA 3.31Å; D129-G132 WeakPolarHBondContact OD1-CA 3.22Å; D129-G132 PolarHBondContact OD1-N 2.94Å; D129-V133 WeakPolarHBondContact O-CG2 3.39Å; D129-V133 PolarHBondContact O-N 3.4Å; D129-T184 WeakPolarHBondContact OD1-CA 3.37Å; D129-D185 PolarHBondContact OD2-N 2.96Å; D129-T188 WeakPolarHBondContact CB-OG1 3.35Å; D129-T188 VanDerWaalsContact OD2-CB 3.3Å; D129-T188 WeakPolarHBondContact OD2-CB 3.31Å; D129-T188 PolarHBondContact OD2-OG1 3.02Å
130D86.8Confident86.1Confident72 Ų7276 Ų7639%0.38538%0.377SS..Hα-helixtrans-69.1-36.217864.3-29000112.3Q128 V133 E134Q128-D130 PolarHBondContact O-N 3.4Å; D130-V133 PolarHBondContact O-N 2.96Å; D130-E134 WeakPolarHBondContact O-CG 3.4Å; D130-E134 PolarHBondContact O-N 3.44Å
131V91.5Very high86.8Confident18 Ų1867.5 Ų67.511%0.10933%0.331CS..Hα-helixtrans-61.1-45.81751760000111.4V133 E134 L135 F179 R182 T184V131-V133 VanDerWaalsContact C-N 3.33Å; V131-V133 PolarHBondContact O-N 2.86Å; V131-E134 PolarHBondContact O-N 3.13Å; V131-L135 HydrophobicContact CG1-CD1 3.76Å; V131-L135 HydrophobicContact CG1-CG 4.41Å; V131-L135 WeakPolarHBondContact O-CB 3.33Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.46Å; V131-L135 PolarHBondContact O-N 3.45Å; V131-F179 HydrophobicContact CG1-CB 3.97Å; V131-F179 HydrophobicContact CG1-CD1 4.08Å; V131-F179 HydrophobicContact CG1-CD2 3.62Å; V131-F179 HydrophobicContact CG1-CE1 4.47Å; V131-F179 HydrophobicContact CG1-CE2 4.07Å; V131-F179 HydrophobicContact CG1-CG 3.62Å; V131-F179 HydrophobicContact CG1-CZ 4.46Å; V131-R182 HydrophobicContact CB-CB 4.35Å; V131-R182 HydrophobicContact CG2-CB 4Å; V131-R182 HydrophobicContact CG2-CG 4.24Å; V131-T184 HydrophobicContact CB-CG2 4.28Å; V131-T184 HydrophobicContact CG1-CG2 3.96Å
132G93.2Very high87.5Confident0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-62.9-38.1176.500000112.5D129 L135 C136D129-G132 VanDerWaalsContact OD1-CA 3.31Å; D129-G132 WeakPolarHBondContact OD1-CA 3.22Å; D129-G132 PolarHBondContact OD1-N 2.94Å; G132-L135 PolarHBondContact O-N 3.36Å; G132-C136 WeakPolarHBondContact O-CB 3.24Å; G132-C136 PolarHBondContact O-N 2.99Å; G132-C136 PolarHBondContact O-SG 3.24Å
133V91.9Very high88.5Confident53 Ų5354.1 Ų54.132%0.32127%0.274SS..Hα-helixtrans-62.9-46.3174.1172.90000111.3T127 D129 D130 V131 C136 G137 T188 C193T127-V133 HydrophobicContact CG2-CG2 3.5Å; D129-V133 WeakPolarHBondContact O-CG2 3.39Å; D129-V133 PolarHBondContact O-N 3.4Å; D130-V133 PolarHBondContact O-N 2.96Å; V131-V133 VanDerWaalsContact C-N 3.33Å; V131-V133 PolarHBondContact O-N 2.86Å; V133-C136 PolarHBondContact O-N 3.21Å; V133-G137 PolarHBondContact O-N 2.86Å; V133-T188 HydrophobicContact CG2-CG2 3.88Å; V133-C193 HydrophobicContact CG1-CB 4.04Å
134E90.4Very high89.4Confident114 Ų11443.9 Ų43.953%0.53324%0.235SC..Hα-helixtrans-62.9-42.3177.9-73.4-175.7178.600111.8R94 D130 V131 G137 G138R94-E134 IonicContact CZ-OE1 2.71Å; R94-E134 IonicContact NH1-OE1 2.77Å; R94-E134 PolarHBondContact NH1-OE1 3.06Å; D130-E134 WeakPolarHBondContact O-CG 3.4Å; D130-E134 PolarHBondContact O-N 3.44Å; V131-E134 PolarHBondContact O-N 3.13Å; E134-G137 PolarHBondContact O-N 3.02Å; E134-G138 PolarHBondContact O-N 3.5Å
135L92.8Very high90.3Very high17 Ų1740.1 Ų40.19%0.08922%0.217CC..Hα-helixtrans-67.9-40.7177.5-71168.7000112.2V131 G132 G137 G138 I139 M175 F179V131-L135 HydrophobicContact CG1-CD1 3.76Å; V131-L135 HydrophobicContact CG1-CG 4.41Å; V131-L135 WeakPolarHBondContact O-CB 3.33Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.46Å; V131-L135 PolarHBondContact O-N 3.45Å; G132-L135 PolarHBondContact O-N 3.36Å; L135-G137 VanDerWaalsContact C-N 3.26Å; L135-G137 PolarHBondContact O-N 3.34Å; L135-G138 PolarHBondContact O-N 3.48Å; L135-I139 HydrophobicContact CB-CD1 3.98Å; L135-I139 HydrophobicContact CD2-CD1 4.45Å; L135-I139 WeakPolarHBondContact O-CB 3.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.46Å; L135-I139 PolarHBondContact O-N 3.11Å; L135-M175 HydrophobicContact CB-CG 3.81Å; L135-M175 HydrophobicContact CB-SD 3.92Å; L135-M175 HydrophobicContact CD1-CB 4.16Å; L135-M175 HydrophobicContact CD1-CG 3.65Å; L135-M175 HydrophobicContact CD1-SD 4.45Å; L135-M175 HydrophobicContact CG-CG 4.36Å; L135-F179 HydrophobicContact CD1-CD2 3.49Å; L135-F179 VanDerWaalsContact CD1-CD2 3.49Å; L135-F179 HydrophobicContact CD1-CE2 3.62Å; L135-F179 HydrophobicContact CD2-CE2 4.04Å; L135-F179 HydrophobicContact CG-CE2 4.29Å
136C93.7Very high91.3Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-57.3-44172.6-73.30000110.8G132 V133 G138 K140 M171 C193G132-C136 WeakPolarHBondContact O-CB 3.24Å; G132-C136 PolarHBondContact O-N 2.99Å; G132-C136 PolarHBondContact O-SG 3.24Å; V133-C136 PolarHBondContact O-N 3.21Å; C136-G138 VanDerWaalsContact C-N 3.29Å; C136-G138 PolarHBondContact O-N 3.48Å; C136-K140 VanDerWaalsContact O-CB 3.22Å; C136-K140 WeakPolarHBondContact O-CB 3.2Å; C136-K140 VanDerWaalsContact O-CG 3.31Å; C136-K140 WeakPolarHBondContact O-CG 3.28Å; C136-K140 PolarHBondContact O-N 2.91Å; C136-K140 VanDerWaalsContact O-N 3.1Å; C136-M171 HydrophobicContact CB-CE 4.14Å; C136-C193 HydrophobicContact CB-CB 4.2Å; C136-C193 WeakPolarHBondContact CB-O 3.13Å
137G90.1Very high92.1Very high23 Ų2327.6 Ų27.624%0.23715%0.148CC..Hα-helixtrans-57.8-36177.500000114.1V133 E134 L135 K140 H141V133-G137 PolarHBondContact O-N 2.86Å; E134-G137 PolarHBondContact O-N 3.02Å; L135-G137 VanDerWaalsContact C-N 3.26Å; L135-G137 PolarHBondContact O-N 3.34Å; G137-K140 WeakPolarHBondContact O-CE 3.31Å; G137-K140 WeakPolarHBondContact O-CG 3.36Å; G137-H141 PolarHBondContact O-CD2 3.32Å; G137-H141 PolarHBondContact O-NE2 2.81Å
138G91Very high92.7Very high3 Ų324.7 Ų24.73%0.03113%0.13CC..Hα-helixtrans-86.8-49.6177.500000114.3E134 L135 C136 K140 H141E134-G138 PolarHBondContact O-N 3.5Å; L135-G138 PolarHBondContact O-N 3.48Å; C136-G138 VanDerWaalsContact C-N 3.29Å; C136-G138 PolarHBondContact O-N 3.48Å; G138-K140 VanDerWaalsContact C-N 3.31Å; G138-K140 PolarHBondContact O-N 3.35Å; G138-H141 PolarHBondContact O-N 3.03Å
139I94.1Very high93.2Very high1 Ų115.4 Ų15.41%0.0059%0.087CC..Hα-helixtrans-68.3-30.7-172.4-56.3164.1000111.5L135 H141 V142 V143 M171 L174 M175 Y253 I257 F273L135-I139 HydrophobicContact CB-CD1 3.98Å; L135-I139 HydrophobicContact CD2-CD1 4.45Å; L135-I139 WeakPolarHBondContact O-CB 3.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.46Å; L135-I139 PolarHBondContact O-N 3.11Å; I139-H141 PolarHBondContact O-N 3.27Å; I139-V142 WeakPolarHBondContact O-CB 3.47Å; I139-V142 PolarHBondContact O-N 3.18Å; I139-V143 PolarHBondContact O-N 3.24Å; I139-M171 HydrophobicContact CB-CE 4.36Å; I139-M171 HydrophobicContact CB-CG 3.99Å; I139-M171 HydrophobicContact CG2-CB 4.49Å; I139-M171 HydrophobicContact CG2-CG 3.36Å; I139-M171 HydrophobicContact CG2-SD 4.32Å; I139-L174 HydrophobicContact CD1-CD2 3.96Å; I139-L174 HydrophobicContact CG1-CD2 4.45Å; I139-M175 HydrophobicContact CD1-CG 4.4Å; I139-Y253 HydrophobicContact CG1-CE1 3.82Å; I139-I257 HydrophobicContact CG1-CD1 4.03Å; I139-I257 HydrophobicContact CG2-CD1 4.22Å; I139-F273 HydrophobicContact CG2-CE1 3.64Å; I139-F273 HydrophobicContact CG2-CE2 3.91Å; I139-F273 HydrophobicContact CG2-CZ 3.24Å
140K93.5Very high93.4Very high13 Ų1315.2 Ų15.26%0.0579%0.085CC..Hα-helixtrans-50.4-35.4177.870.5-176.1-168.1179.50112.3C136 G137 G138 V143 A144 E197 L198 D217C136-K140 VanDerWaalsContact O-CB 3.22Å; C136-K140 WeakPolarHBondContact O-CB 3.2Å; C136-K140 VanDerWaalsContact O-CG 3.31Å; C136-K140 WeakPolarHBondContact O-CG 3.28Å; C136-K140 PolarHBondContact O-N 2.91Å; C136-K140 VanDerWaalsContact O-N 3.1Å; G137-K140 WeakPolarHBondContact O-CE 3.31Å; G137-K140 WeakPolarHBondContact O-CG 3.36Å; G138-K140 VanDerWaalsContact C-N 3.31Å; G138-K140 PolarHBondContact O-N 3.35Å; K140-V143 PolarHBondContact O-N 2.99Å; K140-A144 WeakPolarHBondContact O-CB 3.22Å; K140-A144 PolarHBondContact O-N 3.27Å; K140-E197 HydrophobicContact CD-CB 4.17Å; K140-E197 HydrophobicContact CD-CG 3.46Å; K140-E197 VanDerWaalsContact CD-CG 3.46Å; K140-E197 IonicContact NZ-OE1 3.39Å; K140-E197 PolarHBondContact NZ-OE1 3.11Å; K140-L198 HydrophobicContact CB-CD1 4.27Å; K140-L198 VanDerWaalsContact O-CD1 3.31Å; K140-L198 WeakPolarHBondContact O-CD1 3.15Å; K140-D217 WeakPolarHBondContact CE-OD2 3.48Å; K140-D217 IonicContact NZ-OD2 3.9Å; K140-D217 PolarHBondContact NZ-OD2 3.37Å
141H93.5Very high93.7Very high2 Ų212.4 Ų12.41%0.0097%0.073CC..Hα-helixtrans-71.4-32.3-178.3-61.7-49.3000113.6G137 G138 I139 V143 A144 I145 D217 N220 T248G137-H141 PolarHBondContact O-CD2 3.32Å; G137-H141 PolarHBondContact O-NE2 2.81Å; G138-H141 PolarHBondContact O-N 3.03Å; I139-H141 PolarHBondContact O-N 3.27Å; H141-V143 VanDerWaalsContact C-N 3.33Å; H141-A144 PolarHBondContact O-N 3.4Å; H141-I145 WeakPolarHBondContact O-CG1 3.38Å; H141-I145 PolarHBondContact O-N 3.12Å; H141-D217 IonicContact CE1-OD1 3.52Å; H141-D217 PolarHBondContact CE1-OD1 3.43Å; H141-D217 IonicContact CE1-OD2 3.47Å; H141-D217 IonicContact NE2-OD1 3.58Å; H141-N220 HydrophobicContact CB-CB 4.14Å; H141-N220 VanDerWaalsContact CG-ND2 3.34Å; H141-N220 PolarHBondContact ND1-ND2 3.5Å; H141-T248 VanDerWaalsContact CD2-CB 3.41Å; H141-T248 WeakPolarHBondContact CD2-CB 3.45Å; H141-T248 PolarHBondContact CD2-O 2.89Å
142V96.3Very high93.7Very high0 Ų011.9 Ų11.90%07%0.072CC..Hα-helixtrans-65.9-42.1174.6-176.80000109.7I139 I145 A146 Y253 A254 I257 F273 V276I139-V142 WeakPolarHBondContact O-CB 3.47Å; I139-V142 PolarHBondContact O-N 3.18Å; V142-I145 PolarHBondContact O-N 3.32Å; V142-A146 PolarHBondContact O-N 3.14Å; V142-Y253 HydrophobicContact CG2-CD1 4.25Å; V142-A254 HydrophobicContact CG1-CB 4.08Å; V142-A254 HydrophobicContact CG2-CB 4.01Å; V142-I257 HydrophobicContact CG2-CD1 4.05Å; V142-F273 HydrophobicContact CB-CD1 4.38Å; V142-F273 HydrophobicContact CG1-CB 4.47Å; V142-F273 HydrophobicContact CG1-CD1 3.74Å; V142-F273 HydrophobicContact CG1-CE1 4.46Å; V142-F273 HydrophobicContact CG1-CG 4.4Å; V142-V276 HydrophobicContact CG1-CB 3.94Å; V142-V276 HydrophobicContact CG1-CG1 3.76Å; V142-V276 HydrophobicContact CG1-CG2 4.29Å
143V96.8Very high93.8Very high0 Ų013.7 Ų13.70%08%0.081CC..Hα-helixtrans-67.3-38.2174.9-172.60000111.3I139 K140 H141 I145 A146 A147 V163 M171 L198 L272 F273I139-V143 PolarHBondContact O-N 3.24Å; K140-V143 PolarHBondContact O-N 2.99Å; H141-V143 VanDerWaalsContact C-N 3.33Å; V143-I145 VanDerWaalsContact C-N 3.33Å; V143-I145 PolarHBondContact O-N 3.25Å; V143-A146 WeakPolarHBondContact O-CB 3.3Å; V143-A146 PolarHBondContact O-N 3.22Å; V143-A146 VanDerWaalsContact O-N 3.17Å; V143-A147 PolarHBondContact O-N 2.99Å; V143-V163 HydrophobicContact CG1-CG1 3.99Å; V143-M171 HydrophobicContact CG2-SD 4.23Å; V143-L198 HydrophobicContact CB-CD1 3.85Å; V143-L198 HydrophobicContact CB-CD2 4.08Å; V143-L198 HydrophobicContact CG1-CD1 4Å; V143-L198 HydrophobicContact CG1-CD2 3.79Å; V143-L198 HydrophobicContact CG1-CG 4.44Å; V143-L272 HydrophobicContact CG1-CD2 4.45Å; V143-L272 HydrophobicContact CG2-CD2 4.21Å; V143-F273 HydrophobicContact CG2-CE1 3.84Å
144A95Very high93.8Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-61-39.3174.800000112.4K140 H141 A147 G148 C201 N220 I221K140-A144 WeakPolarHBondContact O-CB 3.22Å; K140-A144 PolarHBondContact O-N 3.27Å; H141-A144 PolarHBondContact O-N 3.4Å; A144-A147 PolarHBondContact O-N 3.09Å; A144-G148 PolarHBondContact O-N 3.05Å; A144-C201 HydrophobicContact CB-CB 3.95Å; A144-N220 HydrophobicContact CB-CB 4.12Å; A144-I221 WeakPolarHBondContact O-CA 3.49Å
145I95Very high94Very high1 Ų117 Ų171%0.0059%0.092CC..Hα-helixtrans-61-46173.2-68.1163.9000110.5H141 V142 V143 A147 G148 V149 N220 V223 G224 L227 G250 V251 V276H141-I145 WeakPolarHBondContact O-CG1 3.38Å; H141-I145 PolarHBondContact O-N 3.12Å; V142-I145 PolarHBondContact O-N 3.32Å; V143-I145 VanDerWaalsContact C-N 3.33Å; V143-I145 PolarHBondContact O-N 3.25Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 3.07Å; I145-G148 CarbonylContact O-C 3.15Å; I145-G148 WeakPolarHBondContact O-CA 3.39Å; I145-G148 PolarHBondContact O-N 3.23Å; I145-G148 VanDerWaalsContact O-N 3.15Å; I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 2.97Å; I145-N220 WeakPolarHBondContact CA-O 3.2Å; I145-N220 HydrophobicContact CG1-CB 4.12Å; I145-N220 WeakPolarHBondContact CG1-O 3.41Å; I145-V223 HydrophobicContact CG1-CG1 4.49Å; I145-G224 WeakPolarHBondContact O-CA 3.45Å; I145-L227 HydrophobicContact CG2-CD1 4.35Å; I145-G250 VanDerWaalsContact CD1-C 3.48Å; I145-V251 HydrophobicContact CD1-CG2 4.1Å; I145-V276 HydrophobicContact CB-CG1 3.93Å; I145-V276 HydrophobicContact CD1-CG1 4.35Å; I145-V276 HydrophobicContact CG2-CG1 3.7Å
146A96.9Very high93.9Very high0 Ų018 Ų180%011%0.107CC..Hα-helixtrans-59.8-43.1176.800000112.5V142 V143 G148 V149 C150 V163 L272 V276 L289V142-A146 PolarHBondContact O-N 3.14Å; V143-A146 WeakPolarHBondContact O-CB 3.3Å; V143-A146 PolarHBondContact O-N 3.22Å; V143-A146 VanDerWaalsContact O-N 3.17Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 3.16Å; A146-V149 WeakPolarHBondContact O-CB 3.23Å; A146-V149 PolarHBondContact O-N 3.08Å; A146-V149 VanDerWaalsContact O-N 3.15Å; A146-C150 PolarHBondContact O-N 2.83Å; A146-C150 PolarHBondContact O-SG 3.1Å; A146-V163 HydrophobicContact CB-CG1 3.62Å; A146-L272 HydrophobicContact CB-CD1 3.54Å; A146-L272 HydrophobicContact CB-CG 4.41Å; A146-V276 HydrophobicContact CB-CG2 3.63Å; A146-L289 HydrophobicContact CB-CD2 4.11Å
147A95.6Very high93.8Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-62.5-38.7175.200000112.1V143 A144 I145 V149 C150 G151 V163 M202V143-A147 PolarHBondContact O-N 2.99Å; A144-A147 PolarHBondContact O-N 3.09Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 3.07Å; A147-V149 VanDerWaalsContact C-N 3.35Å; A147-C150 PolarHBondContact O-N 3.47Å; A147-G151 PolarHBondContact O-N 3.37Å; A147-V163 HydrophobicContact CB-CG1 4.42Å; A147-M202 HydrophobicContact CB-CB 4.45Å; A147-M202 HydrophobicContact CB-CE 3.57Å; A147-M202 HydrophobicContact CB-CG 3.63Å; A147-M202 HydrophobicContact CB-SD 3.83Å
148G94.3Very high94.1Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-62-40.417200000112.5A144 I145 A146 G151 G152 I221 G224 H225A144-G148 PolarHBondContact O-N 3.05Å; I145-G148 CarbonylContact O-C 3.15Å; I145-G148 WeakPolarHBondContact O-CA 3.39Å; I145-G148 PolarHBondContact O-N 3.23Å; I145-G148 VanDerWaalsContact O-N 3.15Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 3.16Å; G148-G151 PolarHBondContact O-N 3.36Å; G148-G152 PolarHBondContact O-N 3.3Å; G148-I221 WeakPolarHBondContact CA-O 3.31Å; G148-G224 CarbonylContact O-C 3.58Å; G148-H225 WeakPolarHBondContact O-CA 3.36Å; G148-H225 PolarHBondContact O-N 3.03Å; G148-H225 PolarHBondContact O-ND1 3.31Å
149V95.1Very high94.2Very high1 Ų130.6 Ų30.61%0.00617%0.169CC..Hα-helixtrans-59.5-49.1174.2167.70000110.6I145 A146 A147 G151 G152 L153 G224 S228 I279 P286 L289I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 2.97Å; A146-V149 WeakPolarHBondContact O-CB 3.23Å; A146-V149 PolarHBondContact O-N 3.08Å; A146-V149 VanDerWaalsContact O-N 3.15Å; A147-V149 VanDerWaalsContact C-N 3.35Å; V149-G151 VanDerWaalsContact C-N 3.3Å; V149-G151 PolarHBondContact O-N 3.4Å; V149-G152 PolarHBondContact O-N 3.35Å; V149-L153 HydrophobicContact CG1-CD1 3.96Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.4Å; V149-L153 WeakPolarHBondContact O-CG 3.42Å; V149-L153 PolarHBondContact O-N 3.36Å; V149-G224 WeakPolarHBondContact CA-O 3.42Å; V149-S228 WeakPolarHBondContact CA-OG 3.14Å; V149-S228 WeakPolarHBondContact CG1-OG 3.47Å; V149-S228 PolarHBondContact O-OG 3.44Å; V149-I279 HydrophobicContact CG2-CG2 4.48Å; V149-P286 HydrophobicContact CG1-CB 3.96Å; V149-L289 HydrophobicContact CB-CD2 3.82Å; V149-L289 HydrophobicContact CG1-CB 4.34Å; V149-L289 HydrophobicContact CG1-CD2 3.59Å
150C94.7Very high94.2Very high1 Ų132.2 Ų32.21%0.00718%0.176CC..Hα-helixtrans-60.2-39.7176.7-63.80000112.9A146 A147 K154 L155 T159 K160 V163A146-C150 PolarHBondContact O-N 2.83Å; A146-C150 PolarHBondContact O-SG 3.1Å; A147-C150 PolarHBondContact O-N 3.47Å; C150-K154 PolarHBondContact O-N 3.14Å; C150-L155 HydrophobicContact CB-CD1 4.24Å; C150-L155 PolarHBondContact O-N 3.39Å; C150-T159 HydrophobicContact CB-CG2 4.32Å; C150-K160 HydrophobicContact CB-CG 4.03Å; C150-V163 VanDerWaalsContact SG-CG2 3.53Å
151G92.5Very high94.2Very high13 Ų1335 Ų3513%0.13420%0.198CC..Hα-helixtrans-67.7-40.2175.700000113.1A147 G148 V149 L153 K154A147-G151 PolarHBondContact O-N 3.37Å; G148-G151 PolarHBondContact O-N 3.36Å; V149-G151 VanDerWaalsContact C-N 3.3Å; V149-G151 PolarHBondContact O-N 3.4Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-K154 PolarHBondContact O-N 2.97Å; G151-K154 VanDerWaalsContact O-N 3.15Å
152G91.9Very high94.3Very high8 Ų836.6 Ų36.68%0.08221%0.211CC..Hα-helixtrans-65.3-37.1176.900000112.5G148 V149 K154 H225G148-G152 PolarHBondContact O-N 3.3Å; V149-G152 PolarHBondContact O-N 3.35Å; G152-K154 VanDerWaalsContact C-N 3.27Å; G152-K154 PolarHBondContact O-N 3.18Å; G152-H225 PolarHBondContact N-ND1 3.1Å
153L94Very high94.3Very high37 Ų3736.6 Ų36.619%0.19421%0.211CC..THydrogen-bonded Turntrans-78.1-2.9173.3-67.1177.9000114.3V149 G151 L155 P286 Q287V149-L153 HydrophobicContact CG1-CD1 3.96Å; V149-L153 HydrophobicContact CG1-CG 4.47Å; V149-L153 WeakPolarHBondContact O-CB 3.4Å; V149-L153 WeakPolarHBondContact O-CG 3.42Å; V149-L153 PolarHBondContact O-N 3.36Å; G151-L153 VanDerWaalsContact C-N 3.33Å; L153-L155 VanDerWaalsContact C-N 3.31Å; L153-L155 HydrophobicContact CB-CD1 4.09Å; L153-L155 HydrophobicContact CB-CD2 4.25Å; L153-L155 HydrophobicContact CB-CG 3.76Å; L153-L155 HydrophobicContact CD1-CD1 4.1Å; L153-L155 PolarHBondContact O-N 3.45Å; L153-P286 HydrophobicContact CD1-CB 4.32Å; L153-P286 HydrophobicContact CD2-CB 4.39Å; L153-Q287 HydrophobicContact CD1-CG 4.43Å; L153-Q287 HydrophobicContact CD2-CG 4.01Å
154K93.2Very high94.2Very high177 Ų17737.3 Ų37.377%0.7722%0.215SC*.THydrogen-bonded Turntrans56.139-178.3-55.8-177.8178.4-179.20113.9C150 G151 G152 G156C150-K154 PolarHBondContact O-N 3.14Å; G151-K154 PolarHBondContact O-N 2.97Å; G151-K154 VanDerWaalsContact O-N 3.15Å; G152-K154 VanDerWaalsContact C-N 3.27Å; G152-K154 PolarHBondContact O-N 3.18Å; K154-G156 VanDerWaalsContact C-N 3.27Å; K154-G156 PolarHBondContact O-N 3.49Å
155L93.6Very high94.2Very high60 Ų6042.8 Ų42.831%0.31424%0.235SC..  trans-76.6-11.3-178.3-60.3176.1000114.2C150 L153 T159 L290C150-L155 HydrophobicContact CB-CD1 4.24Å; C150-L155 PolarHBondContact O-N 3.39Å; L153-L155 VanDerWaalsContact C-N 3.31Å; L153-L155 HydrophobicContact CB-CD1 4.09Å; L153-L155 HydrophobicContact CB-CD2 4.25Å; L153-L155 HydrophobicContact CB-CG 3.76Å; L153-L155 HydrophobicContact CD1-CD1 4.1Å; L153-L155 PolarHBondContact O-N 3.45Å; L155-T159 HydrophobicContact CB-CG2 3.9Å; L155-T159 HydrophobicContact CD1-CG2 3.79Å; L155-T159 PolarHBondContact O-OG1 3.31Å; L155-L290 HydrophobicContact CD1-CD1 4.06Å; L155-L290 HydrophobicContact CD1-CD2 3.74Å; L155-L290 HydrophobicContact CD1-CG 4.02Å; L155-L290 HydrophobicContact CD2-CD1 4.2Å
156G91.9Very high94.3Very high38 Ų3842.9 Ų42.939%0.39224%0.235SC..  trans85.7173179.600000114.2K154 N158 T159 K160K154-G156 VanDerWaalsContact C-N 3.27Å; K154-G156 PolarHBondContact O-N 3.49Å; G156-N158 PolarHBondContact O-N 3.39Å; G156-T159 PolarHBondContact O-N 2.62Å; G156-K160 PolarHBondContact O-N 3.08Å
157D91.5Very high94.2Very high111 Ų11142.9 Ų42.959%0.59424%0.235SC*.Hα-helixtrans-71.7-31.6-169.6-66.4-28.1000112.8T159 K160 S161D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 PolarHBondContact O-N 3.25Å; D157-K160 CarbonylContact O-C 3.56Å; D157-K160 WeakPolarHBondContact O-CB 3.32Å; D157-K160 PolarHBondContact O-N 2.92Å; D157-K160 VanDerWaalsContact O-N 3.1Å; D157-S161 PolarHBondContact O-N 2.8Å; D157-S161 PolarHBondContact O-OG 3.34Å; D157-S161 VanDerWaalsContact O-OG 3.13Å
158N94.9Very high94.2Very high147 Ų14744.5 Ų44.579%0.78624%0.243SC*.Hα-helixtrans-57.5-41175.5-71.1-10.2000112.1G156 S161 A162G156-N158 PolarHBondContact O-N 3.39Å; N158-S161 PolarHBondContact O-N 3.47Å; N158-A162 PolarHBondContact O-N 3.41Å
159T94.8Very high94.2Very high33 Ų3347.5 Ų47.520%0.20225%0.254CS..Hα-helixtrans-71.1-37.8177.2-53.20000111.5C150 L155 G156 D157 S161 A162 V163 L290C150-T159 HydrophobicContact CB-CG2 4.32Å; L155-T159 HydrophobicContact CB-CG2 3.9Å; L155-T159 HydrophobicContact CD1-CG2 3.79Å; L155-T159 PolarHBondContact O-OG1 3.31Å; G156-T159 PolarHBondContact O-N 2.62Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 PolarHBondContact O-N 3.25Å; T159-S161 VanDerWaalsContact C-N 3.34Å; T159-S161 PolarHBondContact O-N 3.39Å; T159-A162 WeakPolarHBondContact O-CB 3.4Å; T159-A162 PolarHBondContact O-N 3.1Å; T159-V163 PolarHBondContact O-N 3.15Å; T159-L290 HydrophobicContact CG2-CD2 3.86Å
160K93.3Very high94.3Very high35 Ų3547.4 Ų47.415%0.15225%0.254CS..Hα-helixtrans-62.4-40.1172-71.8-176.6176-176.50112C150 G156 D157 A162 V163 L164 M202C150-K160 HydrophobicContact CB-CG 4.03Å; G156-K160 PolarHBondContact O-N 3.08Å; D157-K160 CarbonylContact O-C 3.56Å; D157-K160 WeakPolarHBondContact O-CB 3.32Å; D157-K160 PolarHBondContact O-N 2.92Å; D157-K160 VanDerWaalsContact O-N 3.1Å; K160-A162 VanDerWaalsContact C-N 3.31Å; K160-A162 PolarHBondContact O-N 3.45Å; K160-V163 WeakPolarHBondContact O-CB 3.48Å; K160-V163 PolarHBondContact O-N 3.01Å; K160-L164 PolarHBondContact O-N 2.94Å; K160-M202 HydrophobicContact CB-CE 4.25Å
161S93.8Very high94.4Very high72 Ų7247.4 Ų47.450%0.50325%0.253SS..Hα-helixtrans-64.5-35.4174.5-60.50000112.1D157 N158 T159 L164 R165D157-S161 PolarHBondContact O-N 2.8Å; D157-S161 PolarHBondContact O-OG 3.34Å; D157-S161 VanDerWaalsContact O-OG 3.13Å; N158-S161 PolarHBondContact O-N 3.47Å; T159-S161 VanDerWaalsContact C-N 3.34Å; T159-S161 PolarHBondContact O-N 3.39Å; S161-L164 PolarHBondContact O-N 2.81Å; S161-R165 PolarHBondContact O-N 3.29Å
162A95.5Very high94.4Very high34 Ų3447.3 Ų47.328%0.28125%0.251SS..Hα-helixtrans-65-41.8172.700000112N158 T159 K160 R165 I166N158-A162 PolarHBondContact O-N 3.41Å; T159-A162 WeakPolarHBondContact O-CB 3.4Å; T159-A162 PolarHBondContact O-N 3.1Å; K160-A162 VanDerWaalsContact C-N 3.31Å; K160-A162 PolarHBondContact O-N 3.45Å; A162-R165 PolarHBondContact O-N 2.97Å; A162-I166 WeakPolarHBondContact O-CB 3.26Å; A162-I166 WeakPolarHBondContact O-CG1 3.3Å; A162-I166 PolarHBondContact O-N 3.08Å
163V96.5Very high94.5Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-59.7-45.4172.1167.80000111.3V143 A146 A147 C150 T159 K160 R165 I166 G167 L272 L293V143-V163 HydrophobicContact CG1-CG1 3.99Å; A146-V163 HydrophobicContact CB-CG1 3.62Å; A147-V163 HydrophobicContact CB-CG1 4.42Å; C150-V163 VanDerWaalsContact SG-CG2 3.53Å; T159-V163 PolarHBondContact O-N 3.15Å; K160-V163 WeakPolarHBondContact O-CB 3.48Å; K160-V163 PolarHBondContact O-N 3.01Å; V163-R165 PolarHBondContact O-N 3.12Å; V163-I166 PolarHBondContact O-N 3.23Å; V163-G167 WeakPolarHBondContact O-CA 3.38Å; V163-G167 PolarHBondContact O-N 3.31Å; V163-L272 HydrophobicContact CG1-CD1 4.16Å; V163-L293 HydrophobicContact CG2-CD1 3.6Å; V163-L293 HydrophobicContact CG2-CD2 4.14Å
164L94.6Very high94.6Very high16 Ų1647.8 Ų47.88%0.08425%0.25CC..Hα-helixtrans-58.3-49.6178.7-178.367.1000111.5K160 S161 I166 G167 F168 L198 F199 M202K160-L164 PolarHBondContact O-N 2.94Å; S161-L164 PolarHBondContact O-N 2.81Å; L164-I166 PolarHBondContact O-N 3.44Å; L164-G167 PolarHBondContact O-N 2.95Å; L164-F168 HydrophobicContact CD1-CD2 4.38Å; L164-F168 HydrophobicContact CD1-CE1 4.08Å; L164-F168 HydrophobicContact CD1-CE2 3.66Å; L164-F168 HydrophobicContact CD1-CZ 3.47Å; L164-F168 VanDerWaalsContact CD1-CZ 3.47Å; L164-F168 HydrophobicContact CD2-CE2 4.08Å; L164-F168 HydrophobicContact CD2-CZ 4.48Å; L164-F168 HydrophobicContact CG-CD2 4.17Å; L164-F168 HydrophobicContact CG-CE2 3.6Å; L164-F168 HydrophobicContact CG-CZ 3.97Å; L164-F168 PolarHBondContact O-N 2.63Å; L164-L198 HydrophobicContact CD1-CB 4.44Å; L164-L198 HydrophobicContact CD1-CD2 3.41Å; L164-L198 VanDerWaalsContact CD1-CD2 3.41Å; L164-L198 HydrophobicContact CD1-CG 3.66Å; L164-F199 HydrophobicContact CD2-CD1 4.41Å; L164-F199 HydrophobicContact CD2-CE1 3.71Å; L164-F199 HydrophobicContact CD2-CE2 3.89Å; L164-F199 HydrophobicContact CD2-CZ 3.4Å; L164-F199 VanDerWaalsContact CD2-CZ 3.4Å; L164-M202 HydrophobicContact CB-CE 3.99Å; L164-M202 HydrophobicContact CB-SD 4.33Å; L164-M202 HydrophobicContact CD1-CE 4.36Å; L164-M202 HydrophobicContact CD1-SD 3.72Å
165R94.9Very high94.6Very high115 Ų11539.4 Ų39.443%0.43421%0.213SC..Hα-helixtrans-60.4-46.3179.8-176.1-176.965.784.1-4.9112.1S161 A162 V163 W169 H299S161-R165 PolarHBondContact O-N 3.29Å; A162-R165 PolarHBondContact O-N 2.97Å; V163-R165 PolarHBondContact O-N 3.12Å; R165-W169 PolarHBondContact O-N 3.11Å; R165-H299 PolarHBondContact NH2-CE1 2.9Å
166I96.6Very high94.6Very high2 Ų240.6 Ų40.61%0.0122%0.216CC..Hα-helixtrans-67.3-40.3177.8-71.9168.7000110.5A162 V163 L164 F168 W169 E170 L272 L293 H296 I298A162-I166 WeakPolarHBondContact O-CB 3.26Å; A162-I166 WeakPolarHBondContact O-CG1 3.3Å; A162-I166 PolarHBondContact O-N 3.08Å; V163-I166 PolarHBondContact O-N 3.23Å; L164-I166 PolarHBondContact O-N 3.44Å; I166-F168 PolarHBondContact O-N 2.93Å; I166-W169 WeakPolarHBondContact O-CB 3.39Å; I166-W169 PolarHBondContact O-N 3Å; I166-W169 VanDerWaalsContact O-N 3.15Å; I166-E170 HydrophobicContact CG2-CG 4.35Å; I166-E170 PolarHBondContact O-N 2.83Å; I166-L272 HydrophobicContact CG2-CB 3.94Å; I166-L272 HydrophobicContact CG2-CD2 4.18Å; I166-L293 HydrophobicContact CD1-CB 4.01Å; I166-L293 HydrophobicContact CD1-CD2 3.83Å; I166-L293 HydrophobicContact CD1-CG 4.49Å; I166-L293 HydrophobicContact CG2-CD2 4.38Å; I166-H296 HydrophobicContact CD1-CB 4.31Å; I166-H296 WeakPolarHBondContact CG2-CD2 3.25Å; I166-I298 HydrophobicContact CG1-CG2 4.45Å
167G96.1Very high94.6Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-59.5-45.9177.600000112.7V163 L164 W169 E170 M171 L272V163-G167 WeakPolarHBondContact O-CA 3.38Å; V163-G167 PolarHBondContact O-N 3.31Å; L164-G167 PolarHBondContact O-N 2.95Å; G167-W169 VanDerWaalsContact C-N 3.3Å; G167-W169 PolarHBondContact O-N 3.08Å; G167-E170 PolarHBondContact O-N 3.34Å; G167-M171 VanDerWaalsContact O-CB 3.3Å; G167-M171 WeakPolarHBondContact O-CB 3.23Å; G167-M171 WeakPolarHBondContact O-CG 3.23Å; G167-M171 PolarHBondContact O-N 3.33Å; G167-L272 VanDerWaalsContact CA-CD2 3.48Å
168F95Very high94.7Very high34 Ų3437.5 Ų37.515%0.14919%0.189CC..Hα-helixtrans-61-39174.1-70.5-34.4000112.9L164 I166 M171 S172 I189 M195 L198L164-F168 HydrophobicContact CD1-CD2 4.38Å; L164-F168 HydrophobicContact CD1-CE1 4.08Å; L164-F168 HydrophobicContact CD1-CE2 3.66Å; L164-F168 HydrophobicContact CD1-CZ 3.47Å; L164-F168 VanDerWaalsContact CD1-CZ 3.47Å; L164-F168 HydrophobicContact CD2-CE2 4.08Å; L164-F168 HydrophobicContact CD2-CZ 4.48Å; L164-F168 HydrophobicContact CG-CD2 4.17Å; L164-F168 HydrophobicContact CG-CE2 3.6Å; L164-F168 HydrophobicContact CG-CZ 3.97Å; L164-F168 PolarHBondContact O-N 2.63Å; I166-F168 PolarHBondContact O-N 2.93Å; F168-M171 HydrophobicContact CD1-SD 4.27Å; F168-S172 PolarHBondContact O-N 3.34Å; F168-I189 HydrophobicContact CB-CG2 4.22Å; F168-I189 HydrophobicContact CD1-CG2 3.34Å; F168-I189 HydrophobicContact CE1-CG2 3.85Å; F168-I189 HydrophobicContact CG-CG2 3.94Å; F168-I189 WeakPolarHBondContact O-CD1 3.44Å; F168-M195 HydrophobicContact CE1-CB 4.25Å; F168-M195 HydrophobicContact CE2-CE 4.17Å; F168-M195 HydrophobicContact CE2-CG 4.18Å; F168-M195 HydrophobicContact CZ-CB 3.86Å; F168-M195 HydrophobicContact CZ-CE 4.49Å; F168-M195 HydrophobicContact CZ-CG 3.72Å; F168-L198 HydrophobicContact CD1-CD2 3.99Å; F168-L198 HydrophobicContact CE1-CB 4.25Å; F168-L198 HydrophobicContact CE1-CD2 3.49Å; F168-L198 VanDerWaalsContact CE1-CD2 3.49Å; F168-L198 HydrophobicContact CE1-CG 4.43Å; F168-L198 HydrophobicContact CZ-CD2 4.08Å
169W94.7Very high94.6Very high63 Ų6334 Ų3424%0.23917%0.167CC..Hα-helixtrans-66.5-49.7177.4-174.192.3000111.6R165 I166 G167 M171 S172 E173 H269 H296 I298R165-W169 PolarHBondContact O-N 3.11Å; I166-W169 WeakPolarHBondContact O-CB 3.39Å; I166-W169 PolarHBondContact O-N 3Å; I166-W169 VanDerWaalsContact O-N 3.15Å; G167-W169 VanDerWaalsContact C-N 3.3Å; G167-W169 PolarHBondContact O-N 3.08Å; W169-M171 VanDerWaalsContact C-N 3.28Å; W169-M171 PolarHBondContact O-N 3.09Å; W169-S172 PolarHBondContact O-N 3.23Å; W169-S172 VanDerWaalsContact O-N 3.11Å; W169-E173 HydrophobicContact CD2-CG 3.91Å; W169-E173 HydrophobicContact CE3-CG 4.01Å; W169-E173 HydrophobicContact CH2-CG 3.88Å; W169-E173 HydrophobicContact CZ2-CG 3.75Å; W169-E173 HydrophobicContact CZ3-CB 4.43Å; W169-E173 HydrophobicContact CZ3-CG 3.99Å; W169-E173 PolarHBondContact O-N 3.35Å; W169-H269 AromaticContact CH2-CD2 3.94Å; W169-H269 AromaticContact CH2-CE1 3.73Å; W169-H269 AromaticContact CH2-NE2 3.46Å; W169-H269 WeakPolarHBondContact CH2-NE2 3.39Å; W169-H296 AromaticContact CD2-CE1 3.92Å; W169-H296 AromaticContact CE3-CE1 3.23Å; W169-H296 AromaticContact CE3-NE2 3.57Å; W169-H296 AromaticContact CH2-CE1 3.97Å; W169-H296 AromaticContact CZ3-CE1 3.27Å; W169-H296 WeakPolarHBondContact CZ3-CE1 3.31Å; W169-H296 AromaticContact CZ3-NE2 3.64Å; W169-I298 HydrophobicContact CB-CD1 3.55Å; W169-I298 HydrophobicContact CD2-CB 4.36Å; W169-I298 HydrophobicContact CD2-CD1 3.98Å; W169-I298 HydrophobicContact CD2-CG1 4.22Å; W169-I298 HydrophobicContact CG-CD1 3.3Å; W169-I298 HydrophobicContact CG-CG1 3.98Å
170E96.7Very high94.3Very high0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-63.3-35178.2-74.8-164.3-164.300111.7I166 G167 L174 F270 P271 L272 F273 H296I166-E170 HydrophobicContact CG2-CG 4.35Å; I166-E170 PolarHBondContact O-N 2.83Å; G167-E170 PolarHBondContact O-N 3.34Å; E170-L174 WeakPolarHBondContact O-CB 3.19Å; E170-L174 PolarHBondContact O-N 2.99Å; E170-F270 HydrophobicContact CB-CD1 3.92Å; E170-F270 VanDerWaalsContact CD-CA 3.45Å; E170-F270 HydrophobicContact CG-CD1 3.97Å; E170-F270 WeakPolarHBondContact O-CE1 3.36Å; E170-F270 WeakPolarHBondContact OE1-CA 3.32Å; E170-P271 WeakPolarHBondContact OE1-CD 3.02Å; E170-P271 VanDerWaalsContact OE1-N 3.11Å; E170-L272 VanDerWaalsContact CD-CB 3.47Å; E170-L272 WeakPolarHBondContact OE1-CA 3.35Å; E170-L272 WeakPolarHBondContact OE1-CB 3.44Å; E170-L272 PolarHBondContact OE1-N 3.36Å; E170-L272 WeakPolarHBondContact OE2-CB 3.33Å; E170-F273 HydrophobicContact CB-CD2 4.07Å; E170-F273 HydrophobicContact CB-CE1 3.99Å; E170-F273 HydrophobicContact CB-CE2 3.51Å; E170-F273 HydrophobicContact CB-CZ 3.44Å; E170-F273 VanDerWaalsContact CB-CZ 3.44Å; E170-F273 WeakPolarHBondContact OE2-CD1 3.37Å; E170-F273 WeakPolarHBondContact OE2-CD2 3.46Å; E170-F273 WeakPolarHBondContact OE2-CG 3.26Å; E170-F273 PolarHBondContact OE2-N 3.21Å; E170-H296 WeakPolarHBondContact CG-NE2 3.46Å; E170-H296 IonicContact OE1-CD2 3.69Å; E170-H296 PolarHBondContact OE1-CD2 3.23Å; E170-H296 IonicContact OE1-NE2 3.47Å; E170-H296 PolarHBondContact OE1-NE2 3.24Å; E170-H296 VanDerWaalsContact OE1-NE2 3.11Å
171M95.6Very high94.2Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-59.3-51170.9-77171.777.900111C136 I139 V143 G167 F168 W169 E173 L174 M175 I189 L198 F273C136-M171 HydrophobicContact CB-CE 4.14Å; I139-M171 HydrophobicContact CB-CE 4.36Å; I139-M171 HydrophobicContact CB-CG 3.99Å; I139-M171 HydrophobicContact CG2-CB 4.49Å; I139-M171 HydrophobicContact CG2-CG 3.36Å; I139-M171 HydrophobicContact CG2-SD 4.32Å; V143-M171 HydrophobicContact CG2-SD 4.23Å; G167-M171 VanDerWaalsContact O-CB 3.3Å; G167-M171 WeakPolarHBondContact O-CB 3.23Å; G167-M171 WeakPolarHBondContact O-CG 3.23Å; G167-M171 PolarHBondContact O-N 3.33Å; F168-M171 HydrophobicContact CD1-SD 4.27Å; W169-M171 VanDerWaalsContact C-N 3.28Å; W169-M171 PolarHBondContact O-N 3.09Å; M171-E173 PolarHBondContact O-N 3.41Å; M171-L174 PolarHBondContact O-N 2.69Å; M171-M175 WeakPolarHBondContact O-CB 3.36Å; M171-M175 VanDerWaalsContact O-CG 3.23Å; M171-M175 WeakPolarHBondContact O-CG 3.4Å; M171-M175 PolarHBondContact O-N 3.47Å; M171-I189 HydrophobicContact CB-CD1 3.93Å; M171-L198 HydrophobicContact SD-CD2 4.42Å; M171-F273 HydrophobicContact CG-CZ 4.02Å
172S93.6Very high93.9Very high12 Ų1247 Ų478%0.08422%0.223CC..Hα-helixtrans-60.7-47.8-178.7-167.10000112.1F168 W169 M175 K176 W186F168-S172 PolarHBondContact O-N 3.34Å; W169-S172 PolarHBondContact O-N 3.23Å; W169-S172 VanDerWaalsContact O-N 3.11Å; S172-M175 PolarHBondContact O-N 3.14Å; S172-K176 WeakPolarHBondContact O-CG 3.41Å; S172-K176 PolarHBondContact O-N 3.32Å; S172-K176 VanDerWaalsContact O-N 3.1Å; S172-K176 PolarHBondContact OG-NZ 2.91Å; S172-W186 WeakPolarHBondContact OG-CB 3.4Å
173E94.3Very high93.3Very high52 Ų5248 Ų4824%0.24324%0.237CC..Hα-helixtrans-66.6-39.5-179.1-68.9-58.8108.400111.6W169 M171 K176 E177 F270W169-E173 HydrophobicContact CD2-CG 3.91Å; W169-E173 HydrophobicContact CE3-CG 4.01Å; W169-E173 HydrophobicContact CH2-CG 3.88Å; W169-E173 HydrophobicContact CZ2-CG 3.75Å; W169-E173 HydrophobicContact CZ3-CB 4.43Å; W169-E173 HydrophobicContact CZ3-CG 3.99Å; W169-E173 PolarHBondContact O-N 3.35Å; M171-E173 PolarHBondContact O-N 3.41Å; E173-K176 IonicContact OE1-NZ 3.55Å; E173-E177 VanDerWaalsContact O-CB 3.23Å; E173-E177 WeakPolarHBondContact O-CB 3.29Å; E173-E177 PolarHBondContact O-N 3.24Å; E173-F270 HydrophobicContact CB-CE1 3.82Å; E173-F270 HydrophobicContact CB-CZ 4.08Å
174L95.3Very high93Very high2 Ų248.9 Ų48.91%0.0124%0.243CC..Hα-helixtrans-66.8-42177.6-172.664.1000111.5I139 E170 M171 E177 L178 I257 L261 F270 F273I139-L174 HydrophobicContact CD1-CD2 3.96Å; I139-L174 HydrophobicContact CG1-CD2 4.45Å; E170-L174 WeakPolarHBondContact O-CB 3.19Å; E170-L174 PolarHBondContact O-N 2.99Å; M171-L174 PolarHBondContact O-N 2.69Å; L174-E177 PolarHBondContact O-N 2.89Å; L174-L178 HydrophobicContact CD1-CD1 3.84Å; L174-L178 HydrophobicContact CD1-CD2 4.25Å; L174-L178 HydrophobicContact CD1-CG 3.86Å; L174-L178 HydrophobicContact CD2-CD1 4.43Å; L174-L178 HydrophobicContact CG-CD1 3.84Å; L174-L178 HydrophobicContact CG-CG 4.16Å; L174-L178 WeakPolarHBondContact O-CB 3.4Å; L174-L178 VanDerWaalsContact O-CG 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 2.86Å; L174-I257 HydrophobicContact CD2-CD1 3.98Å; L174-I257 HydrophobicContact CD2-CG1 4.08Å; L174-I257 HydrophobicContact CD2-CG2 3.91Å; L174-L261 HydrophobicContact CD1-CD2 4.01Å; L174-F270 HydrophobicContact CB-CD1 4.5Å; L174-F270 HydrophobicContact CB-CE1 3.81Å; L174-F270 HydrophobicContact CB-CZ 4.33Å; L174-F270 HydrophobicContact CD1-CE1 4.43Å; L174-F270 HydrophobicContact CD1-CZ 4.36Å; L174-F273 HydrophobicContact CB-CE2 4.26Å; L174-F273 HydrophobicContact CD2-CD2 4.1Å; L174-F273 HydrophobicContact CD2-CE2 3.82Å
175M94Very high92.7Very high1 Ų151.4 Ų51.41%0.00526%0.256CS..Hα-helixtrans-61-48.1177.7-71.2-170.7-60.700111.8L135 I139 M171 S172 E177 F179 T184 I189L135-M175 HydrophobicContact CB-CG 3.81Å; L135-M175 HydrophobicContact CB-SD 3.92Å; L135-M175 HydrophobicContact CD1-CB 4.16Å; L135-M175 HydrophobicContact CD1-CG 3.65Å; L135-M175 HydrophobicContact CD1-SD 4.45Å; L135-M175 HydrophobicContact CG-CG 4.36Å; I139-M175 HydrophobicContact CD1-CG 4.4Å; M171-M175 WeakPolarHBondContact O-CB 3.36Å; M171-M175 VanDerWaalsContact O-CG 3.23Å; M171-M175 WeakPolarHBondContact O-CG 3.4Å; M171-M175 PolarHBondContact O-N 3.47Å; S172-M175 PolarHBondContact O-N 3.14Å; M175-E177 VanDerWaalsContact C-N 3.32Å; M175-E177 PolarHBondContact O-N 2.94Å; M175-F179 PolarHBondContact O-N 2.99Å; M175-T184 HydrophobicContact CB-CG2 4.33Å; M175-T184 PolarHBondContact O-OG1 3.35Å; M175-I189 HydrophobicContact CE-CD1 3.45Å; M175-I189 VanDerWaalsContact CE-CD1 3.45Å; M175-I189 HydrophobicContact CE-CG1 3.33Å
176K92.8Very high92.4Very high86 Ų8652 Ų5237%0.37426%0.259SS..Hα-helixtrans-62-39.9176.3-70.1172.5-172.21630112.1S172 E173 P180S172-K176 WeakPolarHBondContact O-CG 3.41Å; S172-K176 PolarHBondContact O-N 3.32Å; S172-K176 VanDerWaalsContact O-N 3.1Å; S172-K176 PolarHBondContact OG-NZ 2.91Å; E173-K176 IonicContact OE1-NZ 3.55Å; K176-P180 WeakPolarHBondContact O-CA 3.43Å; K176-P180 WeakPolarHBondContact O-CB 3.31Å; K176-P180 WeakPolarHBondContact O-CD 3.3Å
177E92.7Very high92.1Very high37 Ų3755.4 Ų55.417%0.17328%0.276CS..Hα-helixtrans-72.4-38.3-177.3-169.2179.8145.500112.8E173 L174 M175 R264 R266E173-E177 VanDerWaalsContact O-CB 3.23Å; E173-E177 WeakPolarHBondContact O-CB 3.29Å; E173-E177 PolarHBondContact O-N 3.24Å; L174-E177 PolarHBondContact O-N 2.89Å; M175-E177 VanDerWaalsContact C-N 3.32Å; M175-E177 PolarHBondContact O-N 2.94Å; E177-R264 IonicContact OE1-CZ 2.81Å; E177-R264 IonicContact OE1-NE 3.54Å; E177-R264 PolarHBondContact OE1-NE 3Å; E177-R264 IonicContact OE1-NH2 2.69Å; E177-R264 PolarHBondContact OE1-NH2 3.21Å; E177-R266 WeakPolarHBondContact OE1-CG 3.27Å; E177-R266 IonicContact OE1-NE 3.8Å; E177-R266 PolarHBondContact OE1-NE 3.08Å; E177-R266 IonicContact OE2-CZ 3.69Å; E177-R266 VanDerWaalsContact OE2-CZ 3.27Å; E177-R266 IonicContact OE2-NE 3.19Å; E177-R266 PolarHBondContact OE2-NE 3.42Å; E177-R266 IonicContact OE2-NH2 3.56Å; E177-R266 PolarHBondContact OE2-NH2 3.1Å
178L92.7Very high91.9Very high46 Ų4655.6 Ų55.624%0.24128%0.277CS..Hα-helixtrans-79.6-32.6-179-64.1-175.4000112.9L174 I260L174-L178 HydrophobicContact CD1-CD1 3.84Å; L174-L178 HydrophobicContact CD1-CD2 4.25Å; L174-L178 HydrophobicContact CD1-CG 3.86Å; L174-L178 HydrophobicContact CD2-CD1 4.43Å; L174-L178 HydrophobicContact CG-CD1 3.84Å; L174-L178 HydrophobicContact CG-CG 4.16Å; L174-L178 WeakPolarHBondContact O-CB 3.4Å; L174-L178 VanDerWaalsContact O-CG 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 2.86Å; L178-I260 HydrophobicContact CD1-CD1 4.5Å; L178-I260 HydrophobicContact CD2-CG2 3.52Å
179F92.6Very high91.7Very high73 Ų7354.3 Ų54.332%0.3227%0.272SS..  trans-137.460-173.8-56.8-82.2000112.4V131 L135 M175 D181 R182 T184V131-F179 HydrophobicContact CG1-CB 3.97Å; V131-F179 HydrophobicContact CG1-CD1 4.08Å; V131-F179 HydrophobicContact CG1-CD2 3.62Å; V131-F179 HydrophobicContact CG1-CE1 4.47Å; V131-F179 HydrophobicContact CG1-CE2 4.07Å; V131-F179 HydrophobicContact CG1-CG 3.62Å; V131-F179 HydrophobicContact CG1-CZ 4.46Å; L135-F179 HydrophobicContact CD1-CD2 3.49Å; L135-F179 VanDerWaalsContact CD1-CD2 3.49Å; L135-F179 HydrophobicContact CD1-CE2 3.62Å; L135-F179 HydrophobicContact CD2-CE2 4.04Å; L135-F179 HydrophobicContact CG-CE2 4.29Å; M175-F179 PolarHBondContact O-N 2.99Å; F179-D181 PolarHBondContact O-N 3.23Å; F179-R182 HydrophobicContact CB-CB 3.86Å; F179-R182 HydrophobicContact CB-CG 3.8Å; F179-R182 HydrophobicContact CD1-CG 3.93Å; F179-R182 HydrophobicContact CG-CG 4.29Å; F179-R182 PolarHBondContact O-N 3.39Å; F179-T184 HydrophobicContact CB-CG2 3.94Å; F179-T184 PolarHBondContact O-OG1 3.29Å
180P89.6Confident91.5Very high86 Ų8655.8 Ų55.856%0.55828%0.282SS*.G310 helixtrans-60.8-32.4-178.224.8-34.3000112.5K176K176-P180 WeakPolarHBondContact O-CA 3.43Å; K176-P180 WeakPolarHBondContact O-CB 3.31Å; K176-P180 WeakPolarHBondContact O-CD 3.3Å
181D90.3Very high91.2Very high158 Ų15858.9 Ų58.985%0.84530%0.296SS*.G310 helixtrans-98.19.7-175.6-53.5-49.4000113.7F179F179-D181 PolarHBondContact O-N 3.23Å
182R88Confident90.9Very high169 Ų16963 Ų6364%0.63833%0.325SS*.G310 helixtrans-101.77.4179.6-62.8-66.3-158.5157.15.5113.8V131 F179 T184V131-R182 HydrophobicContact CB-CB 4.35Å; V131-R182 HydrophobicContact CG2-CB 4Å; V131-R182 HydrophobicContact CG2-CG 4.24Å; F179-R182 HydrophobicContact CB-CB 3.86Å; F179-R182 HydrophobicContact CB-CG 3.8Å; F179-R182 HydrophobicContact CD1-CG 3.93Å; F179-R182 HydrophobicContact CG-CG 4.29Å; F179-R182 PolarHBondContact O-N 3.39Å; R182-T184 VanDerWaalsContact C-N 3.33Å
183G83.5Confident90.7Very high55 Ų5563.9 Ų63.957%0.56733%0.331SS*.THydrogen-bonded Turntrans69.131.6-179.500000113.2D185G183-D185 PolarHBondContact O-N 3.05Å
184T89.1Confident90.6Very high20 Ų2061.4 Ų61.412%0.12332%0.319CS..  trans-63122.4173.950.60000110D129 V131 M175 F179 R182D129-T184 WeakPolarHBondContact OD1-CA 3.37Å; V131-T184 HydrophobicContact CB-CG2 4.28Å; V131-T184 HydrophobicContact CG1-CG2 3.96Å; M175-T184 HydrophobicContact CB-CG2 4.33Å; M175-T184 PolarHBondContact O-OG1 3.35Å; F179-T184 HydrophobicContact CB-CG2 3.94Å; F179-T184 PolarHBondContact O-OG1 3.29Å; R182-T184 VanDerWaalsContact C-N 3.33Å
185D88.6Confident90.3Very high68 Ų6864.3 Ų64.336%0.36433%0.333SS..  trans-112.5135.4-178.7-166.6-8.8000110D129 G183 L187 T188D129-D185 PolarHBondContact OD2-N 2.96Å; G183-D185 PolarHBondContact O-N 3.05Å; D185-L187 PolarHBondContact O-N 2.84Å; D185-L187 PolarHBondContact OD1-N 3.1Å; D185-T188 VanDerWaalsContact O-CB 3.26Å; D185-T188 WeakPolarHBondContact O-CB 3.35Å; D185-T188 PolarHBondContact O-N 3.1Å; D185-T188 VanDerWaalsContact O-N 3.08Å; D185-T188 PolarHBondContact O-OG1 3.38Å
186W88.6Confident90.1Very high129 Ų12966.3 Ų66.349%0.48935%0.35SS..THydrogen-bonded Turntrans-60.3-29.4172.380.5-81.8000111.2S172 T188 I189 E190S172-W186 WeakPolarHBondContact OG-CB 3.4Å; W186-T188 PolarHBondContact O-N 3.43Å; W186-I189 VanDerWaalsContact O-CB 3.31Å; W186-I189 WeakPolarHBondContact O-CB 3.35Å; W186-I189 PolarHBondContact O-N 2.87Å; W186-E190 HydrophobicContact CE3-CG 4.34Å; W186-E190 VanDerWaalsContact CH2-CD 3.5Å; W186-E190 HydrophobicContact CH2-CG 4.29Å; W186-E190 VanDerWaalsContact CH2-OE1 3.26Å; W186-E190 WeakPolarHBondContact CH2-OE1 3.46Å; W186-E190 HydrophobicContact CZ3-CG 3.7Å; W186-E190 WeakPolarHBondContact CZ3-OE1 3.28Å
187L90.7Very high89.9Confident72 Ų7264.8 Ų64.838%0.37735%0.345SS..Hα-helixtrans-62.4-23.6177.1-171.962.9000112.6D185 I189 E190 Q191D185-L187 PolarHBondContact O-N 2.84Å; D185-L187 PolarHBondContact OD1-N 3.1Å; L187-I189 PolarHBondContact O-N 3.07Å; L187-E190 HydrophobicContact CD1-CB 4.23Å; L187-E190 HydrophobicContact CD1-CG 4.37Å; L187-E190 VanDerWaalsContact CD1-OE2 3.22Å; L187-E190 WeakPolarHBondContact CD1-OE2 3.35Å; L187-E190 WeakPolarHBondContact O-CB 3.29Å; L187-E190 PolarHBondContact O-N 3.29Å; L187-Q191 PolarHBondContact O-N 2.87Å
188T91.8Very high89.8Confident4 Ų463 Ų633%0.02534%0.336CS..Hα-helixtrans-62.1-31.6172.9-59.50000111.6D129 V133 D185 W186 E190 Q191D129-T188 WeakPolarHBondContact CB-OG1 3.35Å; D129-T188 VanDerWaalsContact OD2-CB 3.3Å; D129-T188 WeakPolarHBondContact OD2-CB 3.31Å; D129-T188 PolarHBondContact OD2-OG1 3.02Å; V133-T188 HydrophobicContact CG2-CG2 3.88Å; D185-T188 VanDerWaalsContact O-CB 3.26Å; D185-T188 WeakPolarHBondContact O-CB 3.35Å; D185-T188 PolarHBondContact O-N 3.1Å; D185-T188 VanDerWaalsContact O-N 3.08Å; D185-T188 PolarHBondContact O-OG1 3.38Å; W186-T188 PolarHBondContact O-N 3.43Å; T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 2.78Å; T188-Q191 WeakPolarHBondContact O-CB 3.33Å; T188-Q191 PolarHBondContact O-N 3.47Å; T188-Q191 VanDerWaalsContact O-N 3.13Å
189I91.4Very high89.7Confident8 Ų865.8 Ų65.84%0.04135%0.346CS..Hα-helixtrans-66.2-34.4174.1-54.9-180000110.8F168 M171 M175 W186 L187 Q191 G194 M195F168-I189 HydrophobicContact CB-CG2 4.22Å; F168-I189 HydrophobicContact CD1-CG2 3.34Å; F168-I189 HydrophobicContact CE1-CG2 3.85Å; F168-I189 HydrophobicContact CG-CG2 3.94Å; F168-I189 WeakPolarHBondContact O-CD1 3.44Å; M171-I189 HydrophobicContact CB-CD1 3.93Å; M175-I189 HydrophobicContact CE-CD1 3.45Å; M175-I189 VanDerWaalsContact CE-CD1 3.45Å; M175-I189 HydrophobicContact CE-CG1 3.33Å; W186-I189 VanDerWaalsContact O-CB 3.31Å; W186-I189 WeakPolarHBondContact O-CB 3.35Å; W186-I189 PolarHBondContact O-N 2.87Å; L187-I189 PolarHBondContact O-N 3.07Å; I189-Q191 PolarHBondContact O-N 3.32Å; I189-G194 CarbonylContact O-C 3.06Å; I189-G194 WeakPolarHBondContact O-CA 3.25Å; I189-M195 VanDerWaalsContact O-CB 3.27Å; I189-M195 WeakPolarHBondContact O-CB 3.33Å; I189-M195 PolarHBondContact O-N 3.42Å
190E90.9Very high89.4Confident94 Ų9466 Ų6644%0.43935%0.35SS..Hα-helixtrans-71.9-11.8176.5-58.7-163.4148.200113.1W186 L187 T188 M195W186-E190 HydrophobicContact CE3-CG 4.34Å; W186-E190 VanDerWaalsContact CH2-CD 3.5Å; W186-E190 HydrophobicContact CH2-CG 4.29Å; W186-E190 VanDerWaalsContact CH2-OE1 3.26Å; W186-E190 WeakPolarHBondContact CH2-OE1 3.46Å; W186-E190 HydrophobicContact CZ3-CG 3.7Å; W186-E190 WeakPolarHBondContact CZ3-OE1 3.28Å; L187-E190 HydrophobicContact CD1-CB 4.23Å; L187-E190 HydrophobicContact CD1-CG 4.37Å; L187-E190 VanDerWaalsContact CD1-OE2 3.22Å; L187-E190 WeakPolarHBondContact CD1-OE2 3.35Å; L187-E190 WeakPolarHBondContact O-CB 3.29Å; L187-E190 PolarHBondContact O-N 3.29Å; T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 2.78Å; E190-M195 HydrophobicContact CG-CE 4.36Å
191Q89.6Confident89.3Confident64 Ų6462 Ų6230%0.29932%0.324SS..SBendtrans-79.1176.1175.5-54.8-55.5-48.900112.2L187 T188 I189 C193 G194 M195L187-Q191 PolarHBondContact O-N 2.87Å; T188-Q191 WeakPolarHBondContact O-CB 3.33Å; T188-Q191 PolarHBondContact O-N 3.47Å; T188-Q191 VanDerWaalsContact O-N 3.13Å; I189-Q191 PolarHBondContact O-N 3.32Å; Q191-C193 VanDerWaalsContact C-N 3.28Å; Q191-C193 PolarHBondContact O-N 3.34Å; Q191-G194 PolarHBondContact O-N 3.11Å; Q191-G194 VanDerWaalsContact O-N 3.16Å; Q191-M195 PolarHBondContact O-N 3.06Å; Q191-M195 VanDerWaalsContact O-N 3.14Å
192S89.6Confident89Confident88 Ų8855.5 Ų55.562%0.61529%0.289SS*.Iπ-helixtrans-58.6-36.3-176-52.40000113.6G194 E197S192-G194 VanDerWaalsContact C-N 3.28Å; S192-G194 PolarHBondContact O-N 3.25Å; S192-E197 VanDerWaalsContact O-CB 3.28Å; S192-E197 WeakPolarHBondContact O-CB 3.31Å; S192-E197 PolarHBondContact O-N 2.83Å; S192-E197 VanDerWaalsContact O-N 3.09Å
193C88.7Confident88.7Confident29 Ų2951.2 Ų51.220%0.19629%0.285CS..Iπ-helixtrans-67.2-26.2-179.459.10000114V133 C136 Q191V133-C193 HydrophobicContact CG1-CB 4.04Å; C136-C193 HydrophobicContact CB-CB 4.2Å; C136-C193 WeakPolarHBondContact CB-O 3.13Å; Q191-C193 VanDerWaalsContact C-N 3.28Å; Q191-C193 PolarHBondContact O-N 3.34Å
194G91.3Very high88.4Confident0 Ų050.1 Ų50.10%027%0.265CS..Iπ-helixtrans-96.8-85.5176.800000110.8I189 Q191 S192 L198I189-G194 CarbonylContact O-C 3.06Å; I189-G194 WeakPolarHBondContact O-CA 3.25Å; Q191-G194 PolarHBondContact O-N 3.11Å; Q191-G194 VanDerWaalsContact O-N 3.16Å; S192-G194 VanDerWaalsContact C-N 3.28Å; S192-G194 PolarHBondContact O-N 3.25Å; G194-L198 VanDerWaalsContact O-CB 3.26Å; G194-L198 WeakPolarHBondContact O-CB 3.46Å; G194-L198 PolarHBondContact O-N 3.42Å
195M90.9Very high87.6Confident63 Ų6360 Ų6031%0.3130%0.3SS..Iπ-helixtrans-62.9-57.5-167.3-177.7179.1-64.800112F168 I189 E190 Q191 E197 L198 F199F168-M195 HydrophobicContact CE1-CB 4.25Å; F168-M195 HydrophobicContact CE2-CE 4.17Å; F168-M195 HydrophobicContact CE2-CG 4.18Å; F168-M195 HydrophobicContact CZ-CB 3.86Å; F168-M195 HydrophobicContact CZ-CE 4.49Å; F168-M195 HydrophobicContact CZ-CG 3.72Å; I189-M195 VanDerWaalsContact O-CB 3.27Å; I189-M195 WeakPolarHBondContact O-CB 3.33Å; I189-M195 PolarHBondContact O-N 3.42Å; E190-M195 HydrophobicContact CG-CE 4.36Å; Q191-M195 PolarHBondContact O-N 3.06Å; Q191-M195 VanDerWaalsContact O-N 3.14Å; M195-E197 VanDerWaalsContact C-N 3.31Å; M195-E197 PolarHBondContact O-N 2.99Å; M195-L198 PolarHBondContact O-N 2.86Å; M195-F199 HydrophobicContact CG-CD2 3.65Å; M195-F199 HydrophobicContact CG-CE2 3.48Å; M195-F199 VanDerWaalsContact CG-CE2 3.48Å; M195-F199 WeakPolarHBondContact O-CD2 3.34Å; M195-F199 PolarHBondContact O-N 3.46Å; M195-F199 HydrophobicContact SD-CE2 4.1Å
196A88.4Confident86.9Confident44 Ų4459.8 Ų59.836%0.36430%0.301SS..Iπ-helixtrans-59.4-44.9-17400000111.6F199 I200A196-F199 WeakPolarHBondContact O-CB 3.48Å; A196-F199 PolarHBondContact O-N 3.34Å; A196-I200 WeakPolarHBondContact O-CG1 3.33Å; A196-I200 PolarHBondContact O-N 2.93Å
197E89.4Confident86.2Confident54 Ų5455.9 Ų55.925%0.25229%0.29SS..Hα-helixtrans-68.5-37.2-179.1-166.576.6143.500113.1K140 S192 M195 F199 I200 C201K140-E197 HydrophobicContact CD-CB 4.17Å; K140-E197 HydrophobicContact CD-CG 3.46Å; K140-E197 VanDerWaalsContact CD-CG 3.46Å; K140-E197 IonicContact NZ-OE1 3.39Å; K140-E197 PolarHBondContact NZ-OE1 3.11Å; S192-E197 VanDerWaalsContact O-CB 3.28Å; S192-E197 WeakPolarHBondContact O-CB 3.31Å; S192-E197 PolarHBondContact O-N 2.83Å; S192-E197 VanDerWaalsContact O-N 3.09Å; M195-E197 VanDerWaalsContact C-N 3.31Å; M195-E197 PolarHBondContact O-N 2.99Å; E197-F199 VanDerWaalsContact C-N 3.33Å; E197-I200 PolarHBondContact O-N 2.99Å; E197-C201 WeakPolarHBondContact O-CB 3.42Å; E197-C201 PolarHBondContact O-N 3.07Å; E197-C201 PolarHBondContact O-SG 3.27Å
198L90.7Very high85.5Confident0 Ų059.6 Ų59.60%031%0.305CS..Hα-helixtrans-66.3-37.7174.2-174.156.3000111.5K140 V143 L164 F168 M171 G194 M195 C201 M202K140-L198 HydrophobicContact CB-CD1 4.27Å; K140-L198 VanDerWaalsContact O-CD1 3.31Å; K140-L198 WeakPolarHBondContact O-CD1 3.15Å; V143-L198 HydrophobicContact CB-CD1 3.85Å; V143-L198 HydrophobicContact CB-CD2 4.08Å; V143-L198 HydrophobicContact CG1-CD1 4Å; V143-L198 HydrophobicContact CG1-CD2 3.79Å; V143-L198 HydrophobicContact CG1-CG 4.44Å; L164-L198 HydrophobicContact CD1-CB 4.44Å; L164-L198 HydrophobicContact CD1-CD2 3.41Å; L164-L198 VanDerWaalsContact CD1-CD2 3.41Å; L164-L198 HydrophobicContact CD1-CG 3.66Å; F168-L198 HydrophobicContact CD1-CD2 3.99Å; F168-L198 HydrophobicContact CE1-CB 4.25Å; F168-L198 HydrophobicContact CE1-CD2 3.49Å; F168-L198 VanDerWaalsContact CE1-CD2 3.49Å; F168-L198 HydrophobicContact CE1-CG 4.43Å; F168-L198 HydrophobicContact CZ-CD2 4.08Å; M171-L198 HydrophobicContact SD-CD2 4.42Å; G194-L198 VanDerWaalsContact O-CB 3.26Å; G194-L198 WeakPolarHBondContact O-CB 3.46Å; G194-L198 PolarHBondContact O-N 3.42Å; M195-L198 PolarHBondContact O-N 2.86Å; L198-C201 PolarHBondContact O-N 2.87Å; L198-M202 HydrophobicContact CD1-CG 4.15Å; L198-M202 HydrophobicContact CD1-SD 3.93Å; L198-M202 HydrophobicContact CG-CG 4.49Å; L198-M202 HydrophobicContact CG-SD 3.89Å; L198-M202 WeakPolarHBondContact O-CB 3.32Å; L198-M202 VanDerWaalsContact O-CG 3.22Å; L198-M202 WeakPolarHBondContact O-CG 3.41Å; L198-M202 PolarHBondContact O-N 3.46Å
199F90.4Very high84.6Confident103 Ų10362.9 Ų62.945%0.45233%0.325SS..Hα-helixtrans-61-42.4171.6-87.5-78000112L164 M195 A196 E197 M202 S203L164-F199 HydrophobicContact CD2-CD1 4.41Å; L164-F199 HydrophobicContact CD2-CE1 3.71Å; L164-F199 HydrophobicContact CD2-CE2 3.89Å; L164-F199 HydrophobicContact CD2-CZ 3.4Å; L164-F199 VanDerWaalsContact CD2-CZ 3.4Å; M195-F199 HydrophobicContact CG-CD2 3.65Å; M195-F199 HydrophobicContact CG-CE2 3.48Å; M195-F199 VanDerWaalsContact CG-CE2 3.48Å; M195-F199 WeakPolarHBondContact O-CD2 3.34Å; M195-F199 PolarHBondContact O-N 3.46Å; M195-F199 HydrophobicContact SD-CE2 4.1Å; A196-F199 WeakPolarHBondContact O-CB 3.48Å; A196-F199 PolarHBondContact O-N 3.34Å; E197-F199 VanDerWaalsContact C-N 3.33Å; F199-M202 PolarHBondContact O-N 3.29Å; F199-S203 WeakPolarHBondContact O-CB 3.46Å; F199-S203 PolarHBondContact O-N 2.89Å; F199-S203 PolarHBondContact O-OG 3.04Å
200I86.8Confident83.7Confident79 Ų7963.3 Ų63.341%0.40533%0.328SS..Hα-helixtrans-61.2-51.9175.4-68.2165.9000110A196 E197 M202 S203 D215A196-I200 WeakPolarHBondContact O-CG1 3.33Å; A196-I200 PolarHBondContact O-N 2.93Å; E197-I200 PolarHBondContact O-N 2.99Å; I200-M202 PolarHBondContact O-N 3.3Å; I200-M202 VanDerWaalsContact O-N 3.15Å; I200-S203 PolarHBondContact O-N 3.43Å; I200-D215 WeakPolarHBondContact CG2-OD2 3.3Å
201C86.4Confident82.7Confident0 Ų065.4 Ų65.40%034%0.342CS..Hα-helixtrans-55.3-35.4178.1-70.80000112.6A144 E197 L198 I221A144-C201 HydrophobicContact CB-CB 3.95Å; E197-C201 WeakPolarHBondContact O-CB 3.42Å; E197-C201 PolarHBondContact O-N 3.07Å; E197-C201 PolarHBondContact O-SG 3.27Å; L198-C201 PolarHBondContact O-N 2.87Å; C201-I221 VanDerWaalsContact O-CG2 3.22Å; C201-I221 WeakPolarHBondContact O-CG2 3.15Å
202M84.4Confident81.5Confident23 Ų2370.5 Ų70.511%0.11337%0.37CS..Hα-helixtrans-87.9-12.7-177.8-69.6179.950.500114.6A147 K160 L164 L198 F199 I200 H204A147-M202 HydrophobicContact CB-CB 4.45Å; A147-M202 HydrophobicContact CB-CE 3.57Å; A147-M202 HydrophobicContact CB-CG 3.63Å; A147-M202 HydrophobicContact CB-SD 3.83Å; K160-M202 HydrophobicContact CB-CE 4.25Å; L164-M202 HydrophobicContact CB-CE 3.99Å; L164-M202 HydrophobicContact CB-SD 4.33Å; L164-M202 HydrophobicContact CD1-CE 4.36Å; L164-M202 HydrophobicContact CD1-SD 3.72Å; L198-M202 HydrophobicContact CD1-CG 4.15Å; L198-M202 HydrophobicContact CD1-SD 3.93Å; L198-M202 HydrophobicContact CG-CG 4.49Å; L198-M202 HydrophobicContact CG-SD 3.89Å; L198-M202 WeakPolarHBondContact O-CB 3.32Å; L198-M202 VanDerWaalsContact O-CG 3.22Å; L198-M202 WeakPolarHBondContact O-CG 3.41Å; L198-M202 PolarHBondContact O-N 3.46Å; F199-M202 PolarHBondContact O-N 3.29Å; I200-M202 PolarHBondContact O-N 3.3Å; I200-M202 VanDerWaalsContact O-N 3.15Å; M202-H204 VanDerWaalsContact C-N 3.29Å; M202-H204 PolarHBondContact O-N 2.77Å
203S80.9Confident80.1Confident78 Ų7870 Ų7055%0.54538%0.379SS..  trans-81-9.2-177.7-67.40000113.3F199 I200 R205F199-S203 WeakPolarHBondContact O-CB 3.46Å; F199-S203 PolarHBondContact O-N 2.89Å; F199-S203 PolarHBondContact O-OG 3.04Å; I200-S203 PolarHBondContact O-N 3.43Å; S203-R205 WeakPolarHBondContact O-CG 3.12Å; S203-R205 PolarHBondContact O-N 3.1Å
204H78Confident79.1Confident32 Ų3271.1 Ų71.115%0.14839%0.387CS..  trans-62133.2177.4-152.3-113.3000111.7M202 T206 L218 I221M202-H204 VanDerWaalsContact C-N 3.29Å; M202-H204 PolarHBondContact O-N 2.77Å; H204-T206 PolarHBondContact CE1-O 3.25Å; H204-T206 VanDerWaalsContact CE1-O 3.26Å; H204-T206 PolarHBondContact CE1-OG1 3.24Å; H204-T206 PolarHBondContact ND1-O 3.2Å; H204-L218 HydrophobicContact CB-CD2 4.08Å; H204-L218 VanDerWaalsContact CD2-CD1 3.45Å; H204-L218 WeakPolarHBondContact CD2-CD1 3.49Å; H204-I221 HydrophobicContact CB-CD1 4.44Å; H204-I221 HydrophobicContact CB-CG2 3.62Å
205R71.6Confident78.3Confident229 Ų22974 Ų7486%0.86440%0.402SS*.  trans-116.7-3.3-177.9-60.3-172.1-179.3-163.1-2.3113.8S203S203-R205 WeakPolarHBondContact O-CG 3.12Å; S203-R205 PolarHBondContact O-N 3.1Å
206T73.8Confident77.6Confident62 Ų6272.6 Ų72.638%0.3840%0.396SS..  trans-106.1152.3179.886.20000110.1H204 E208H204-T206 PolarHBondContact CE1-O 3.25Å; H204-T206 VanDerWaalsContact CE1-O 3.26Å; H204-T206 PolarHBondContact CE1-OG1 3.24Å; H204-T206 PolarHBondContact ND1-O 3.2Å; T206-E208 VanDerWaalsContact C-N 3.33Å
207D73.7Confident77.2Confident48 Ų4871.6 Ų71.626%0.25738%0.384SS..  trans-96.25.6173.2-53.8-69.1000112T222 H225 K226 R229D207-T222 VanDerWaalsContact O-CG2 3.31Å; D207-T222 WeakPolarHBondContact O-CG2 3.29Å; D207-H225 WeakPolarHBondContact OD1-CB 3.46Å; D207-H225 IonicContact OD1-CD2 2.83Å; D207-H225 IonicContact OD1-CG 3.27Å; D207-H225 IonicContact OD1-ND1 2.8Å; D207-K226 VanDerWaalsContact O-CE 3.25Å; D207-K226 WeakPolarHBondContact O-CE 2.99Å; D207-R229 IonicContact OD1-CZ 3.25Å; D207-R229 IonicContact OD1-NH1 2.6Å; D207-R229 IonicContact OD1-NH2 3.27Å; D207-R229 IonicContact OD2-CZ 3.11Å; D207-R229 VanDerWaalsContact OD2-CZ 3.25Å; D207-R229 IonicContact OD2-NH1 2.86Å; D207-R229 PolarHBondContact OD2-NH1 3.46Å; D207-R229 IonicContact OD2-NH2 3.52Å; D207-R229 PolarHBondContact OD2-NH2 3.09Å
208E75.8Confident77Confident150 Ų15070 Ų7070%0.70138%0.378SS*.SBendtrans-73143.3177.5-67.1-180173.700109.4T206T206-E208 VanDerWaalsContact C-N 3.33Å
209V73.8Confident76.8Confident73 Ų7370.4 Ų70.444%0.44238%0.38SS..PPolyproline II helixtrans-71.4129.1174.3-177.40000107.1D211 F239V209-D211 PolarHBondContact O-N 3.04Å; V209-F239 HydrophobicContact CG2-CE1 3.8Å; V209-F239 HydrophobicContact CG2-CZ 3.85Å
210P71.7Confident76.8Confident17 Ų1765.6 Ų65.611%0.1136%0.359CS..PPolyproline II helixtrans-58.9139179.3-18.928.8000111.5S214 L216 L218P210-S214 WeakPolarHBondContact CB-OG 3.06Å; P210-L216 HydrophobicContact CB-CD2 4.41Å; P210-L218 HydrophobicContact CG-CB 3.81Å
211D70.7Confident77Confident137 Ų13761.9 Ų61.973%0.73334%0.34SS*.PPolyproline II helixtrans-62.3153.3177.1-76.1-35.6000111.6V209 G213 S214V209-D211 PolarHBondContact O-N 3.04Å; D211-G213 PolarHBondContact O-N 3.29Å; D211-G213 VanDerWaalsContact O-N 3.11Å; D211-S214 PolarHBondContact N-OG 3.49Å; D211-S214 VanDerWaalsContact N-OG 3.12Å; D211-S214 WeakPolarHBondContact O-CB 3.38Å; D211-S214 PolarHBondContact O-N 2.63Å; D211-S214 PolarHBondContact O-OG 2.99Å
212I65.1Low77.2Confident171 Ų17161.9 Ų61.988%0.87734%0.34SS*.THydrogen-bonded Turntrans-60.2118.4173.5-61.3173.1000108.9
213G58.8Low77.5Confident78 Ų7860.9 Ų60.980%0.80434%0.335SS*.THydrogen-bonded Turntrans102.6-10-176.300000114.6D211D211-G213 PolarHBondContact O-N 3.29Å; D211-G213 VanDerWaalsContact O-N 3.11Å
214S68.5Low78Confident53 Ų5357.2 Ų57.237%0.37131%0.309SS..SBendtrans-81.3177.4163.670.60000111.1P210 D211 L216P210-S214 WeakPolarHBondContact CB-OG 3.06Å; D211-S214 PolarHBondContact N-OG 3.49Å; D211-S214 VanDerWaalsContact N-OG 3.12Å; D211-S214 WeakPolarHBondContact O-CB 3.38Å; D211-S214 PolarHBondContact O-N 2.63Å; D211-S214 PolarHBondContact O-OG 2.99Å; S214-L216 PolarHBondContact O-N 2.71Å
215D73.3Confident78.7Confident60 Ų6056.1 Ų56.132%0.32130%0.304SS..  trans-67.497.8175.1-1771.9000110.4I200 D217 L218I200-D215 WeakPolarHBondContact CG2-OD2 3.3Å; D215-D217 PolarHBondContact O-N 3.29Å; D215-D217 VanDerWaalsContact OD1-CB 3.24Å; D215-D217 WeakPolarHBondContact OD1-CB 3.41Å; D215-D217 PolarHBondContact OD1-N 3.22Å; D215-L218 HydrophobicContact CB-CD1 3.81Å; D215-L218 HydrophobicContact CB-CG 4.02Å; D215-L218 WeakPolarHBondContact O-CB 3.34Å; D215-L218 WeakPolarHBondContact O-CD1 3.49Å; D215-L218 VanDerWaalsContact O-CG 3.22Å; D215-L218 WeakPolarHBondContact O-CG 3.3Å; D215-L218 PolarHBondContact O-N 3.46Å
216L77.2Confident79.6Confident34 Ų3447.6 Ų47.618%0.17827%0.273CS..G310 helixtrans-69.9-13.1-178.9-67.8177.4000112.6P210 S214 L218 I219 Y247P210-L216 HydrophobicContact CB-CD2 4.41Å; S214-L216 PolarHBondContact O-N 2.71Å; L216-L218 PolarHBondContact O-N 3.34Å; L216-I219 WeakPolarHBondContact O-CB 3.13Å; L216-I219 WeakPolarHBondContact O-CG2 3.43Å; L216-I219 PolarHBondContact O-N 3.11Å; L216-I219 VanDerWaalsContact O-N 3.12Å; L216-Y247 HydrophobicContact CB-CD1 3.63Å; L216-Y247 HydrophobicContact CB-CE1 4.36Å; L216-Y247 HydrophobicContact CB-CG 4.02Å; L216-Y247 HydrophobicContact CD1-CD1 3.89Å; L216-Y247 HydrophobicContact CD1-CE1 4.38Å; L216-Y247 HydrophobicContact CG-CD1 4.35Å
217D80.7Confident80.4Confident22 Ų2245.5 Ų45.512%0.11826%0.259CS..G310 helixtrans-65.8-25.3178-71.3-10.7000111.8K140 H141 D215 I219 N220 Y247K140-D217 WeakPolarHBondContact CE-OD2 3.48Å; K140-D217 IonicContact NZ-OD2 3.9Å; K140-D217 PolarHBondContact NZ-OD2 3.37Å; H141-D217 IonicContact CE1-OD1 3.52Å; H141-D217 PolarHBondContact CE1-OD1 3.43Å; H141-D217 IonicContact CE1-OD2 3.47Å; H141-D217 IonicContact NE2-OD1 3.58Å; D215-D217 PolarHBondContact O-N 3.29Å; D215-D217 VanDerWaalsContact OD1-CB 3.24Å; D215-D217 WeakPolarHBondContact OD1-CB 3.41Å; D215-D217 PolarHBondContact OD1-N 3.22Å; D217-I219 PolarHBondContact O-N 3.36Å; D217-I219 VanDerWaalsContact O-N 3.09Å; D217-N220 PolarHBondContact O-N 3.49Å; D217-N220 PolarHBondContact O-ND2 3.13Å; D217-N220 VanDerWaalsContact O-ND2 3.14Å; D217-Y247 VanDerWaalsContact OD1-CB 3.32Å; D217-Y247 WeakPolarHBondContact OD1-CB 3.4Å
218L84.8Confident81.2Confident22 Ų2244 Ų4412%0.11525%0.253CS..G310 helixtrans-63-11.4175-54.1172.3000113.3H204 P210 D215 L216 N220 I221 T222H204-L218 HydrophobicContact CB-CD2 4.08Å; H204-L218 VanDerWaalsContact CD2-CD1 3.45Å; H204-L218 WeakPolarHBondContact CD2-CD1 3.49Å; P210-L218 HydrophobicContact CG-CB 3.81Å; D215-L218 HydrophobicContact CB-CD1 3.81Å; D215-L218 HydrophobicContact CB-CG 4.02Å; D215-L218 WeakPolarHBondContact O-CB 3.34Å; D215-L218 WeakPolarHBondContact O-CD1 3.49Å; D215-L218 VanDerWaalsContact O-CG 3.22Å; D215-L218 WeakPolarHBondContact O-CG 3.3Å; D215-L218 PolarHBondContact O-N 3.46Å; L216-L218 PolarHBondContact O-N 3.34Å; L218-N220 PolarHBondContact O-N 3.36Å; L218-I221 WeakPolarHBondContact O-CG2 3.26Å; L218-T222 PolarHBondContact O-N 3.31Å; L218-T222 PolarHBondContact O-OG1 2.8Å; L218-T222 VanDerWaalsContact O-OG1 3.11Å
219I86.6Confident81.6Confident8 Ų843.3 Ų43.34%0.04124%0.244CC..Hα-helixtrans-62.1-32174.1-157.7174.5000112.2L216 D217 T222 V223 F239 Y247L216-I219 WeakPolarHBondContact O-CB 3.13Å; L216-I219 WeakPolarHBondContact O-CG2 3.43Å; L216-I219 PolarHBondContact O-N 3.11Å; L216-I219 VanDerWaalsContact O-N 3.12Å; D217-I219 PolarHBondContact O-N 3.36Å; D217-I219 VanDerWaalsContact O-N 3.09Å; I219-T222 WeakPolarHBondContact O-CB 2.89Å; I219-T222 PolarHBondContact O-N 3.18Å; I219-V223 WeakPolarHBondContact O-CG2 3.42Å; I219-V223 PolarHBondContact O-N 2.89Å; I219-F239 HydrophobicContact CD1-CD1 3.53Å; I219-F239 HydrophobicContact CD1-CE1 4.19Å; I219-F239 HydrophobicContact CG1-CD1 3.4Å; I219-F239 HydrophobicContact CG1-CE1 3.75Å; I219-Y247 HydrophobicContact CD1-CE2 4.23Å; I219-Y247 WeakPolarHBondContact CD1-OH 3.13Å; I219-Y247 HydrophobicContact CG2-CD2 3.76Å; I219-Y247 HydrophobicContact CG2-CE2 3.47Å; I219-Y247 VanDerWaalsContact CG2-CE2 3.47Å
220N90.4Very high81.5Confident2 Ų242.1 Ų42.11%0.01124%0.239CC..Hα-helixtrans-71-40.4-174.9-70.1-69.8000112.4H141 A144 I145 D217 L218 T222 V223 G224 T248 G250H141-N220 HydrophobicContact CB-CB 4.14Å; H141-N220 VanDerWaalsContact CG-ND2 3.34Å; H141-N220 PolarHBondContact ND1-ND2 3.5Å; A144-N220 HydrophobicContact CB-CB 4.12Å; I145-N220 WeakPolarHBondContact CA-O 3.2Å; I145-N220 HydrophobicContact CG1-CB 4.12Å; I145-N220 WeakPolarHBondContact CG1-O 3.41Å; D217-N220 PolarHBondContact O-N 3.49Å; D217-N220 PolarHBondContact O-ND2 3.13Å; D217-N220 VanDerWaalsContact O-ND2 3.14Å; L218-N220 PolarHBondContact O-N 3.36Å; N220-T222 VanDerWaalsContact C-N 3.31Å; N220-T222 PolarHBondContact O-N 3.47Å; N220-V223 WeakPolarHBondContact O-CB 3.32Å; N220-V223 PolarHBondContact O-N 3.09Å; N220-G224 PolarHBondContact O-N 3.17Å; N220-T248 PolarHBondContact ND2-O 3Å; N220-G250 VanDerWaalsContact OD1-CA 3.26Å; N220-G250 WeakPolarHBondContact OD1-CA 3.44Å; N220-G250 PolarHBondContact OD1-N 2.95Å
221I91.6Very high80.8Confident0 Ų044.3 Ų44.30%026%0.264CS..Hα-helixtrans-65.5-37.7171.8-177.8162.3000111.2A144 G148 C201 H204 L218 V223 G224 H225A144-I221 WeakPolarHBondContact O-CA 3.49Å; G148-I221 WeakPolarHBondContact CA-O 3.31Å; C201-I221 VanDerWaalsContact O-CG2 3.22Å; C201-I221 WeakPolarHBondContact O-CG2 3.15Å; H204-I221 HydrophobicContact CB-CD1 4.44Å; H204-I221 HydrophobicContact CB-CG2 3.62Å; L218-I221 WeakPolarHBondContact O-CG2 3.26Å; I221-V223 VanDerWaalsContact C-N 3.34Å; I221-V223 PolarHBondContact O-N 3.26Å; I221-G224 PolarHBondContact O-N 3.07Å; I221-G224 VanDerWaalsContact O-N 3.15Å; I221-H225 PolarHBondContact O-CD2 2.77Å; I221-H225 PolarHBondContact O-N 2.96Å
222T89.4Confident79.9Confident0 Ų043.5 Ų43.50%027%0.269CS..Hα-helixtrans-62.5-39.2175.8-58.60000112D207 L218 I219 N220 G224 H225 K226 F239D207-T222 VanDerWaalsContact O-CG2 3.31Å; D207-T222 WeakPolarHBondContact O-CG2 3.29Å; L218-T222 PolarHBondContact O-N 3.31Å; L218-T222 PolarHBondContact O-OG1 2.8Å; L218-T222 VanDerWaalsContact O-OG1 3.11Å; I219-T222 WeakPolarHBondContact O-CB 2.89Å; I219-T222 PolarHBondContact O-N 3.18Å; N220-T222 VanDerWaalsContact C-N 3.31Å; N220-T222 PolarHBondContact O-N 3.47Å; T222-G224 PolarHBondContact O-N 3.17Å; T222-H225 PolarHBondContact O-N 3.13Å; T222-K226 HydrophobicContact CG2-CD 4.31Å; T222-K226 WeakPolarHBondContact O-CG 3.28Å; T222-K226 PolarHBondContact O-N 3.21Å; T222-F239 HydrophobicContact CG2-CE1 4.36Å
223V90.5Very high79.2Confident3 Ų340.8 Ų40.82%0.01827%0.266CS..Hα-helixtrans-58-48.1172.3167.90000110.6I145 I219 N220 I221 H225 K226 L227 L236 F239 V251I145-V223 HydrophobicContact CG1-CG1 4.49Å; I219-V223 WeakPolarHBondContact O-CG2 3.42Å; I219-V223 PolarHBondContact O-N 2.89Å; N220-V223 WeakPolarHBondContact O-CB 3.32Å; N220-V223 PolarHBondContact O-N 3.09Å; I221-V223 VanDerWaalsContact C-N 3.34Å; I221-V223 PolarHBondContact O-N 3.26Å; V223-H225 PolarHBondContact O-N 3.31Å; V223-K226 PolarHBondContact O-N 3.28Å; V223-L227 HydrophobicContact CG1-CD1 3.72Å; V223-L227 HydrophobicContact CG1-CG 4.26Å; V223-L227 WeakPolarHBondContact O-CB 3.18Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.28Å; V223-L227 PolarHBondContact O-N 3.2Å; V223-L236 HydrophobicContact CG1-CD2 3.92Å; V223-F239 HydrophobicContact CG2-CB 4.2Å; V223-F239 HydrophobicContact CG2-CD1 3.75Å; V223-F239 HydrophobicContact CG2-CD2 4.48Å; V223-F239 HydrophobicContact CG2-CE1 4.26Å; V223-F239 HydrophobicContact CG2-CG 3.85Å; V223-V251 HydrophobicContact CG1-CG2 3.96Å
224G92.9Very high79.4Confident0 Ų038.6 Ų38.60%023%0.234CC..Hα-helixtrans-59.2-42.6177.100000113.6I145 G148 V149 N220 I221 T222 L227 S228I145-G224 WeakPolarHBondContact O-CA 3.45Å; G148-G224 CarbonylContact O-C 3.58Å; V149-G224 WeakPolarHBondContact CA-O 3.42Å; N220-G224 PolarHBondContact O-N 3.17Å; I221-G224 PolarHBondContact O-N 3.07Å; I221-G224 VanDerWaalsContact O-N 3.15Å; T222-G224 PolarHBondContact O-N 3.17Å; G224-L227 PolarHBondContact O-N 3.48Å; G224-S228 PolarHBondContact O-N 3.17Å; G224-S228 PolarHBondContact O-OG 3.13Å
225H91.8Very high79.3Confident10 Ų1038.5 Ų38.55%0.04623%0.233CC..Hα-helixtrans-59.3-48.1175.3-76.9-67.6000111.9G148 G152 D207 I221 T222 V223 S228 R229G148-H225 WeakPolarHBondContact O-CA 3.36Å; G148-H225 PolarHBondContact O-N 3.03Å; G148-H225 PolarHBondContact O-ND1 3.31Å; G152-H225 PolarHBondContact N-ND1 3.1Å; D207-H225 WeakPolarHBondContact OD1-CB 3.46Å; D207-H225 IonicContact OD1-CD2 2.83Å; D207-H225 IonicContact OD1-CG 3.27Å; D207-H225 IonicContact OD1-ND1 2.8Å; I221-H225 PolarHBondContact O-CD2 2.77Å; I221-H225 PolarHBondContact O-N 2.96Å; T222-H225 PolarHBondContact O-N 3.13Å; V223-H225 PolarHBondContact O-N 3.31Å; H225-S228 PolarHBondContact O-N 3.31Å; H225-R229 WeakPolarHBondContact O-CG 3.34Å; H225-R229 PolarHBondContact O-N 3.42Å; H225-R229 VanDerWaalsContact O-N 3.15Å
226K89.8Confident79.1Confident50 Ų5037 Ų3722%0.21723%0.225CC..Hα-helixtrans-69-36.9-177.7-69.5-173.6-177.1-173.40112.6D207 T222 V223 S228 R229 S230 F234 F239D207-K226 VanDerWaalsContact O-CE 3.25Å; D207-K226 WeakPolarHBondContact O-CE 2.99Å; T222-K226 HydrophobicContact CG2-CD 4.31Å; T222-K226 WeakPolarHBondContact O-CG 3.28Å; T222-K226 PolarHBondContact O-N 3.21Å; V223-K226 PolarHBondContact O-N 3.28Å; K226-S228 PolarHBondContact O-N 3.49Å; K226-R229 PolarHBondContact O-N 3.02Å; K226-S230 WeakPolarHBondContact O-CB 3.31Å; K226-S230 PolarHBondContact O-N 2.85Å; K226-S230 PolarHBondContact O-OG 3.14Å; K226-F234 HydrophobicContact CB-CD1 4.41Å; K226-F234 HydrophobicContact CB-CD2 3.73Å; K226-F234 HydrophobicContact CB-CE1 4.23Å; K226-F234 HydrophobicContact CB-CE2 3.52Å; K226-F234 HydrophobicContact CB-CG 4.16Å; K226-F234 HydrophobicContact CB-CZ 3.78Å; K226-F234 HydrophobicContact CD-CD2 3.98Å; K226-F234 HydrophobicContact CD-CE2 3.3Å; K226-F234 HydrophobicContact CD-CZ 3.98Å; K226-F234 HydrophobicContact CG-CD2 4.42Å; K226-F234 HydrophobicContact CG-CE2 4.01Å; K226-F234 HydrophobicContact CG-CZ 4.49Å; K226-F239 HydrophobicContact CD-CE2 4.24Å; K226-F239 HydrophobicContact CD-CZ 3.91Å
227L91Very high78.4Confident17 Ų1740.5 Ų40.59%0.08924%0.24CC..Hα-helixtrans-59.4-30.3173.3-74.1168.1000112.4I145 V223 G224 F234 L236 I279 P286I145-L227 HydrophobicContact CG2-CD1 4.35Å; V223-L227 HydrophobicContact CG1-CD1 3.72Å; V223-L227 HydrophobicContact CG1-CG 4.26Å; V223-L227 WeakPolarHBondContact O-CB 3.18Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.28Å; V223-L227 PolarHBondContact O-N 3.2Å; G224-L227 PolarHBondContact O-N 3.48Å; L227-F234 HydrophobicContact CD2-CD1 4.05Å; L227-F234 HydrophobicContact CD2-CE1 4.41Å; L227-F234 HydrophobicContact CG-CD1 4.41Å; L227-F234 HydrophobicContact CG-CE1 4.43Å; L227-L236 HydrophobicContact CD2-CD1 4.34Å; L227-I279 HydrophobicContact CB-CG2 4.31Å; L227-I279 HydrophobicContact CD1-CG2 4.21Å; L227-P286 VanDerWaalsContact O-CG 3.25Å; L227-P286 WeakPolarHBondContact O-CG 3.36Å
228S90Very high77.6Confident16 Ų1646.1 Ų46.111%0.11227%0.266CS..Hα-helixtrans-88.3-29-177.5-56.10000114.4V149 G224 H225 K226V149-S228 WeakPolarHBondContact CA-OG 3.14Å; V149-S228 WeakPolarHBondContact CG1-OG 3.47Å; V149-S228 PolarHBondContact O-OG 3.44Å; G224-S228 PolarHBondContact O-N 3.17Å; G224-S228 PolarHBondContact O-OG 3.13Å; H225-S228 PolarHBondContact O-N 3.31Å; K226-S228 PolarHBondContact O-N 3.49Å
229R85.7Confident76.7Confident136 Ų13645.7 Ų45.751%0.51326%0.263SS..Hα-helixtrans-96-29.4-177.1-66.5-174-175.3169.817.2113.3D207 H225 K226 G231D207-R229 IonicContact OD1-CZ 3.25Å; D207-R229 IonicContact OD1-NH1 2.6Å; D207-R229 IonicContact OD1-NH2 3.27Å; D207-R229 IonicContact OD2-CZ 3.11Å; D207-R229 VanDerWaalsContact OD2-CZ 3.25Å; D207-R229 IonicContact OD2-NH1 2.86Å; D207-R229 PolarHBondContact OD2-NH1 3.46Å; D207-R229 IonicContact OD2-NH2 3.52Å; D207-R229 PolarHBondContact OD2-NH2 3.09Å; H225-R229 WeakPolarHBondContact O-CG 3.34Å; H225-R229 PolarHBondContact O-N 3.42Å; H225-R229 VanDerWaalsContact O-N 3.15Å; K226-R229 PolarHBondContact O-N 3.02Å; R229-G231 PolarHBondContact O-N 3.25Å
230S71.8Confident75.4Confident48 Ų4846.7 Ų46.734%0.33627%0.27SS..SBendtrans-83.8113.9-177.5-48.90000109.2K226 S232K226-S230 WeakPolarHBondContact O-CB 3.31Å; K226-S230 PolarHBondContact O-N 2.85Å; K226-S230 PolarHBondContact O-OG 3.14Å; S230-S232 PolarHBondContact O-N 3.48Å; S230-S232 VanDerWaalsContact O-N 3.12Å
231G56.7Low73.7Confident63 Ų6353.4 Ų53.465%0.64930%0.299SS*.SBendtrans-64.6109.3159.400000108.5R229 S233R229-G231 PolarHBondContact O-N 3.25Å; G231-S233 PolarHBondContact O-N 3.43Å
232S51.5Low71.9Confident120 Ų12058 Ų5884%0.83932%0.324SS*.SBendtrans56.1-19.9162.6-34.30000120.6S230S230-S232 PolarHBondContact O-N 3.48Å; S230-S232 VanDerWaalsContact O-N 3.12Å
233S51.1Low69.8Low114 Ų11463.7 Ų63.780%0.79736%0.363SS*.  trans-99.47.1-171.2-64.20000114.5G231 S235G231-S233 PolarHBondContact O-N 3.43Å; S233-S235 PolarHBondContact O-N 2.99Å
234F62.5Low68Low33 Ų3370.7 Ų70.715%0.14539%0.394CS..  trans-78.5111.5174.8-179.9-108.6000110.9K226 L227 L236 F239K226-F234 HydrophobicContact CB-CD1 4.41Å; K226-F234 HydrophobicContact CB-CD2 3.73Å; K226-F234 HydrophobicContact CB-CE1 4.23Å; K226-F234 HydrophobicContact CB-CE2 3.52Å; K226-F234 HydrophobicContact CB-CG 4.16Å; K226-F234 HydrophobicContact CB-CZ 3.78Å; K226-F234 HydrophobicContact CD-CD2 3.98Å; K226-F234 HydrophobicContact CD-CE2 3.3Å; K226-F234 HydrophobicContact CD-CZ 3.98Å; K226-F234 HydrophobicContact CG-CD2 4.42Å; K226-F234 HydrophobicContact CG-CE2 4.01Å; K226-F234 HydrophobicContact CG-CZ 4.49Å; L227-F234 HydrophobicContact CD2-CD1 4.05Å; L227-F234 HydrophobicContact CD2-CE1 4.41Å; L227-F234 HydrophobicContact CG-CD1 4.41Å; L227-F234 HydrophobicContact CG-CE1 4.43Å; F234-L236 HydrophobicContact CD1-CG 4.21Å; F234-L236 HydrophobicContact CE1-CD2 4.19Å; F234-L236 HydrophobicContact CE1-CG 3.94Å; F234-L236 PolarHBondContact O-N 3.34Å; F234-F239 HydrophobicContact CE1-CD2 4.38Å; F234-F239 AromaticContact CE2-CD2 3.85Å; F234-F239 HydrophobicContact CE2-CD2 3.85Å; F234-F239 AromaticContact CE2-CE2 3.26Å; F234-F239 HydrophobicContact CE2-CE2 3.26Å; F234-F239 HydrophobicContact CE2-CZ 4.06Å; F234-F239 AromaticContact CZ-CD2 3.39Å; F234-F239 HydrophobicContact CZ-CD2 3.39Å; F234-F239 AromaticContact CZ-CE2 3.22Å; F234-F239 HydrophobicContact CZ-CE2 3.22Å; F234-F239 HydrophobicContact CZ-CG 4.37Å; F234-F239 HydrophobicContact CZ-CZ 4.02Å
235S66Low66.3Low50 Ų5075.7 Ų75.735%0.3541%0.412SS..  trans-88.2107.9173.3-175.60000110.3S233 Q237 Q238S233-S235 PolarHBondContact O-N 2.99Å; S235-Q237 PolarHBondContact O-N 3.35Å; S235-Q237 WeakPolarHBondContact OG-CB 3.37Å; S235-Q237 PolarHBondContact OG-N 3.45Å; S235-Q238 PolarHBondContact O-N 2.96Å; S235-Q238 VanDerWaalsContact O-N 3.08Å
236L69Low64.9Low29 Ų2981.2 Ų81.215%0.15245%0.447CS..THydrogen-bonded Turntrans-52.6-23.2170.3-74.3132.7000112.3V223 L227 F234 Q238 F239 T240 V251 C280V223-L236 HydrophobicContact CG1-CD2 3.92Å; L227-L236 HydrophobicContact CD2-CD1 4.34Å; F234-L236 HydrophobicContact CD1-CG 4.21Å; F234-L236 HydrophobicContact CE1-CD2 4.19Å; F234-L236 HydrophobicContact CE1-CG 3.94Å; F234-L236 PolarHBondContact O-N 3.34Å; L236-Q238 PolarHBondContact O-N 3.16Å; L236-Q238 VanDerWaalsContact O-N 3.15Å; L236-F239 PolarHBondContact O-N 2.84Å; L236-T240 PolarHBondContact O-N 3.45Å; L236-V251 HydrophobicContact CD2-CB 4.39Å; L236-V251 HydrophobicContact CD2-CG1 4.04Å; L236-V251 HydrophobicContact CD2-CG2 3.52Å; L236-C280 WeakPolarHBondContact CD1-O 3.4Å
237Q62.9Low64Low107 Ų10779.8 Ų79.850%0.544%0.44SS..Hα-helixtrans-59.1-26.3177.4-60.7-173.77.900113.8S235 F239 T240 K241S235-Q237 PolarHBondContact O-N 3.35Å; S235-Q237 WeakPolarHBondContact OG-CB 3.37Å; S235-Q237 PolarHBondContact OG-N 3.45Å; Q237-F239 PolarHBondContact O-N 2.88Å; Q237-T240 WeakPolarHBondContact CA-OG1 3.42Å; Q237-T240 PolarHBondContact O-N 2.89Å; Q237-K241 HydrophobicContact CB-CD 4.39Å; Q237-K241 WeakPolarHBondContact O-CB 3.28Å; Q237-K241 VanDerWaalsContact O-CG 3.3Å; Q237-K241 WeakPolarHBondContact O-CG 3.4Å; Q237-K241 PolarHBondContact O-N 3.16Å; Q237-K241 VanDerWaalsContact O-N 3.09Å
238Q64.3Low63.3Low141 Ų14181.7 Ų81.766%0.65945%0.453SS*.Hα-helixtrans-64.3-27.9175.7-69.8-177.5-7.800112.1S235 L236S235-Q238 PolarHBondContact O-N 2.96Å; S235-Q238 VanDerWaalsContact O-N 3.08Å; L236-Q238 PolarHBondContact O-N 3.16Å; L236-Q238 VanDerWaalsContact O-N 3.15Å
239F64.4Low63.1Low12 Ų1281.5 Ų81.55%0.05345%0.45CS..Hα-helixtrans-93.5-25.4-178.1-70.1-92.6000112.4V209 I219 T222 V223 K226 F234 L236 Q237 Y247V209-F239 HydrophobicContact CG2-CE1 3.8Å; V209-F239 HydrophobicContact CG2-CZ 3.85Å; I219-F239 HydrophobicContact CD1-CD1 3.53Å; I219-F239 HydrophobicContact CD1-CE1 4.19Å; I219-F239 HydrophobicContact CG1-CD1 3.4Å; I219-F239 HydrophobicContact CG1-CE1 3.75Å; T222-F239 HydrophobicContact CG2-CE1 4.36Å; V223-F239 HydrophobicContact CG2-CB 4.2Å; V223-F239 HydrophobicContact CG2-CD1 3.75Å; V223-F239 HydrophobicContact CG2-CD2 4.48Å; V223-F239 HydrophobicContact CG2-CE1 4.26Å; V223-F239 HydrophobicContact CG2-CG 3.85Å; K226-F239 HydrophobicContact CD-CE2 4.24Å; K226-F239 HydrophobicContact CD-CZ 3.91Å; F234-F239 HydrophobicContact CE1-CD2 4.38Å; F234-F239 AromaticContact CE2-CD2 3.85Å; F234-F239 HydrophobicContact CE2-CD2 3.85Å; F234-F239 AromaticContact CE2-CE2 3.26Å; F234-F239 HydrophobicContact CE2-CE2 3.26Å; F234-F239 HydrophobicContact CE2-CZ 4.06Å; F234-F239 AromaticContact CZ-CD2 3.39Å; F234-F239 HydrophobicContact CZ-CD2 3.39Å; F234-F239 AromaticContact CZ-CE2 3.22Å; F234-F239 HydrophobicContact CZ-CE2 3.22Å; F234-F239 HydrophobicContact CZ-CG 4.37Å; F234-F239 HydrophobicContact CZ-CZ 4.02Å; L236-F239 PolarHBondContact O-N 2.84Å; Q237-F239 PolarHBondContact O-N 2.88Å; F239-Y247 PolarHBondContact O-OH 3.04Å
240T60.3Low63.3Low30 Ų3075 Ų7518%0.18443%0.426CS..Hα-helixtrans-92.8-20.1-178.666.80000113.5L236 Q237 N242 R245 D249L236-T240 PolarHBondContact O-N 3.45Å; Q237-T240 WeakPolarHBondContact CA-OG1 3.42Å; Q237-T240 PolarHBondContact O-N 2.89Å; T240-N242 VanDerWaalsContact C-N 3.35Å; T240-N242 PolarHBondContact O-N 2.87Å; T240-R245 PolarHBondContact O-NH2 2.8Å; T240-D249 VanDerWaalsContact CG2-OD2 3.32Å; T240-D249 WeakPolarHBondContact CG2-OD2 3.41Å
241K53.9Low64.3Low142 Ų14273.2 Ų73.262%0.61741%0.413SS*.  trans-77.3-6-172.1-82.6179.8-1791710116.8Q237 S243Q237-K241 HydrophobicContact CB-CD 4.39Å; Q237-K241 WeakPolarHBondContact O-CB 3.28Å; Q237-K241 VanDerWaalsContact O-CG 3.3Å; Q237-K241 WeakPolarHBondContact O-CG 3.4Å; Q237-K241 PolarHBondContact O-N 3.16Å; Q237-K241 VanDerWaalsContact O-N 3.09Å; K241-S243 PolarHBondContact O-N 3.21Å; K241-S243 VanDerWaalsContact O-N 3.13Å
242N54.3Low66Low98 Ų9874 Ų7452%0.52440%0.399SS..  trans-72.2111.1176.4-77.6-16.5000110T240 K244 R245T240-N242 VanDerWaalsContact C-N 3.35Å; T240-N242 PolarHBondContact O-N 2.87Å; N242-K244 VanDerWaalsContact C-N 3.28Å; N242-K244 PolarHBondContact O-N 2.64Å; N242-R245 WeakPolarHBondContact O-CG 3.45Å; N242-R245 PolarHBondContact O-NE 2.93Å
243S45.5Very low68Low118 Ų11870.8 Ų70.883%0.82537%0.369SS*.SBendtrans-74.7-15.3179.253.20000113.7K241 R245K241-S243 PolarHBondContact O-N 3.21Å; K241-S243 VanDerWaalsContact O-N 3.13Å; S243-R245 PolarHBondContact O-N 2.78Å
244K51.7Low70.2Confident151 Ų15165.3 Ų65.366%0.65733%0.331SS*.SBendtrans-94.757.5176.5-62.9-174.2177.2-174.10111.1S64 N242 T246S64-K244 PolarHBondContact OG-NZ 3.44Å; N242-K244 VanDerWaalsContact C-N 3.28Å; N242-K244 PolarHBondContact O-N 2.64Å; K244-T246 PolarHBondContact O-N 2.76Å
245R57.5Low71.8Confident104 Ų10468.6 Ų68.639%0.39235%0.345SS..  trans-78.1121.1-175.4-57.3-170.9-175-171.32.4110.9T240 N242 S243 D249T240-R245 PolarHBondContact O-NH2 2.8Å; N242-R245 WeakPolarHBondContact O-CG 3.45Å; N242-R245 PolarHBondContact O-NE 2.93Å; S243-R245 PolarHBondContact O-N 2.78Å; R245-D249 IonicContact CZ-OD2 3.32Å; R245-D249 VanDerWaalsContact NH1-CB 3.29Å; R245-D249 IonicContact NH1-OD2 3.88Å; R245-D249 PolarHBondContact NH1-OD2 2.78Å; R245-D249 IonicContact NH2-OD2 2.99Å
246T63.8Low73.2Confident126 Ų12670.8 Ų70.877%0.77335%0.353SS*.  trans-107.45.5164.857.70000112.6K244K244-T246 PolarHBondContact O-N 2.76Å
247Y69.9Low74.5Confident21 Ų2169.7 Ų69.78%0.08235%0.347CS..SBendtrans-126.7160.9-179.968.9-87.1000111.1L216 D217 I219 F239L216-Y247 HydrophobicContact CB-CD1 3.63Å; L216-Y247 HydrophobicContact CB-CE1 4.36Å; L216-Y247 HydrophobicContact CB-CG 4.02Å; L216-Y247 HydrophobicContact CD1-CD1 3.89Å; L216-Y247 HydrophobicContact CD1-CE1 4.38Å; L216-Y247 HydrophobicContact CG-CD1 4.35Å; D217-Y247 VanDerWaalsContact OD1-CB 3.32Å; D217-Y247 WeakPolarHBondContact OD1-CB 3.4Å; I219-Y247 HydrophobicContact CD1-CE2 4.23Å; I219-Y247 WeakPolarHBondContact CD1-OH 3.13Å; I219-Y247 HydrophobicContact CG2-CD2 3.76Å; I219-Y247 HydrophobicContact CG2-CE2 3.47Å; I219-Y247 VanDerWaalsContact CG2-CE2 3.47Å; F239-Y247 PolarHBondContact O-OH 3.04Å
248T75.7Confident76.2Confident56 Ų5667.6 Ų67.634%0.34434%0.335SS..  trans-88.6128.4175.9-61.40000110.8H141 N220 G250 Y253H141-T248 VanDerWaalsContact CD2-CB 3.41Å; H141-T248 WeakPolarHBondContact CD2-CB 3.45Å; H141-T248 PolarHBondContact CD2-O 2.89Å; N220-T248 PolarHBondContact ND2-O 3Å; T248-G250 PolarHBondContact O-N 2.89Å; T248-Y253 HydrophobicContact CG2-CD2 3.65Å; T248-Y253 HydrophobicContact CG2-CE2 4.28Å; T248-Y253 HydrophobicContact CG2-CG 4.27Å
249D85.9Confident77.8Confident12 Ų1267.7 Ų67.76%0.06433%0.333CS..  trans-79.1106.7179-179.7-15.7000110.4T240 R245 V251 E252 Y253T240-D249 VanDerWaalsContact CG2-OD2 3.32Å; T240-D249 WeakPolarHBondContact CG2-OD2 3.41Å; R245-D249 IonicContact CZ-OD2 3.32Å; R245-D249 VanDerWaalsContact NH1-CB 3.29Å; R245-D249 IonicContact NH1-OD2 3.88Å; R245-D249 PolarHBondContact NH1-OD2 2.78Å; R245-D249 IonicContact NH2-OD2 2.99Å; D249-V251 PolarHBondContact O-N 3.22Å; D249-V251 WeakPolarHBondContact OD1-CB 3.39Å; D249-V251 PolarHBondContact OD1-N 3.41Å; D249-E252 HydrophobicContact CB-CB 4.29Å; D249-E252 PolarHBondContact O-N 3.11Å; D249-E252 PolarHBondContact OD1-N 3.09Å; D249-Y253 WeakPolarHBondContact O-CB 3.11Å; D249-Y253 PolarHBondContact O-N 3.24Å
250G91.3Very high79.4Confident0 Ų070.3 Ų70.30%035%0.347CS..Hα-helixtrans-63.6-23.4-177.700000114I145 N220 T248 A254I145-G250 VanDerWaalsContact CD1-C 3.48Å; N220-G250 VanDerWaalsContact OD1-CA 3.26Å; N220-G250 WeakPolarHBondContact OD1-CA 3.44Å; N220-G250 PolarHBondContact OD1-N 2.95Å; T248-G250 PolarHBondContact O-N 2.89Å; G250-A254 WeakPolarHBondContact O-CB 3.48Å; G250-A254 PolarHBondContact O-N 3.43Å
251V92.7Very high81.2Confident10 Ų1068.9 Ų68.96%0.06134%0.338CS..Hα-helixtrans-73.4-48.2177.9176.60000110.2I145 V223 L236 D249 Y253 A254 K255 C280I145-V251 HydrophobicContact CD1-CG2 4.1Å; V223-V251 HydrophobicContact CG1-CG2 3.96Å; L236-V251 HydrophobicContact CD2-CB 4.39Å; L236-V251 HydrophobicContact CD2-CG1 4.04Å; L236-V251 HydrophobicContact CD2-CG2 3.52Å; D249-V251 PolarHBondContact O-N 3.22Å; D249-V251 WeakPolarHBondContact OD1-CB 3.39Å; D249-V251 PolarHBondContact OD1-N 3.41Å; V251-Y253 VanDerWaalsContact C-N 3.31Å; V251-A254 PolarHBondContact O-N 2.84Å; V251-K255 PolarHBondContact O-N 3.1Å; V251-K255 VanDerWaalsContact O-N 3.09Å; V251-C280 HydrophobicContact CG1-CB 3.99Å
252E91.7Very high83.3Confident79 Ų7965.1 Ų65.137%0.36933%0.327SS..Hα-helixtrans-65.5-38.2174.6-71.3-60.614400110.9D249 K255 L256D249-E252 HydrophobicContact CB-CB 4.29Å; D249-E252 PolarHBondContact O-N 3.11Å; D249-E252 PolarHBondContact OD1-N 3.09Å; E252-K255 WeakPolarHBondContact O-CB 3.4Å; E252-K255 PolarHBondContact O-N 3.29Å; E252-K255 IonicContact OE2-NZ 3.84Å; E252-L256 WeakPolarHBondContact O-CG 3.41Å; E252-L256 PolarHBondContact O-N 3.21Å
253Y93.6Very high85.3Confident53 Ų5365.4 Ų65.421%0.20833%0.333CS..Hα-helixtrans-65.2-42.4176.3-145.8-89.7000112I139 V142 T248 D249 V251 K255 L256 I257I139-Y253 HydrophobicContact CG1-CE1 3.82Å; V142-Y253 HydrophobicContact CG2-CD1 4.25Å; T248-Y253 HydrophobicContact CG2-CD2 3.65Å; T248-Y253 HydrophobicContact CG2-CE2 4.28Å; T248-Y253 HydrophobicContact CG2-CG 4.27Å; D249-Y253 WeakPolarHBondContact O-CB 3.11Å; D249-Y253 PolarHBondContact O-N 3.24Å; V251-Y253 VanDerWaalsContact C-N 3.31Å; Y253-K255 VanDerWaalsContact C-N 3.27Å; Y253-K255 PolarHBondContact O-N 3.2Å; Y253-L256 PolarHBondContact O-N 3.26Å; Y253-L256 VanDerWaalsContact O-N 3.14Å; Y253-I257 HydrophobicContact CD1-CD1 3.79Å; Y253-I257 HydrophobicContact CD1-CG1 4.06Å; Y253-I257 HydrophobicContact CE1-CD1 3.99Å; Y253-I257 HydrophobicContact CE1-CG1 4.17Å; Y253-I257 WeakPolarHBondContact O-CG1 3.38Å; Y253-I257 PolarHBondContact O-N 3.25Å
254A96.6Very high87.7Confident0 Ų065.8 Ų65.80%032%0.316CS..Hα-helixtrans-59.3-38.5173.700000112V142 G250 V251 Y258 V276 H277V142-A254 HydrophobicContact CG1-CB 4.08Å; V142-A254 HydrophobicContact CG2-CB 4.01Å; G250-A254 WeakPolarHBondContact O-CB 3.48Å; G250-A254 PolarHBondContact O-N 3.43Å; V251-A254 PolarHBondContact O-N 2.84Å; A254-Y258 VanDerWaalsContact O-CB 3.29Å; A254-Y258 WeakPolarHBondContact O-CB 3.43Å; A254-Y258 PolarHBondContact O-N 2.78Å; A254-V276 HydrophobicContact CB-CG1 4.22Å; A254-H277 HydrophobicContact CB-CB 4.2Å
255K96.2Very high89.9Confident101 Ų10166.8 Ų66.844%0.43932%0.323SS..Hα-helixtrans-64.8-40.6174178.3-177.3175.2-172.40112.7V251 E252 Y253 K259 H277V251-K255 PolarHBondContact O-N 3.1Å; V251-K255 VanDerWaalsContact O-N 3.09Å; E252-K255 WeakPolarHBondContact O-CB 3.4Å; E252-K255 PolarHBondContact O-N 3.29Å; E252-K255 IonicContact OE2-NZ 3.84Å; Y253-K255 VanDerWaalsContact C-N 3.27Å; Y253-K255 PolarHBondContact O-N 3.2Å; K255-K259 WeakPolarHBondContact O-CB 3.5Å; K255-K259 PolarHBondContact O-N 3.06Å; K255-H277 WeakPolarHBondContact CA-ND1 3.28Å
256L95.6Very high91.8Very high96 Ų9665.3 Ų65.350%0.50332%0.317SS..Hα-helixtrans-63.8-48.5174.9-69.3173.3000111.5E252 Y253 Y258 K259 I260E252-L256 WeakPolarHBondContact O-CG 3.41Å; E252-L256 PolarHBondContact O-N 3.21Å; Y253-L256 PolarHBondContact O-N 3.26Å; Y253-L256 VanDerWaalsContact O-N 3.14Å; L256-Y258 PolarHBondContact O-N 2.9Å; L256-K259 PolarHBondContact O-N 3.05Å; L256-I260 WeakPolarHBondContact O-CG1 3.43Å; L256-I260 PolarHBondContact O-N 2.85Å
257I97Very high93.4Very high7 Ų761.4 Ų61.44%0.03629%0.293CS..Hα-helixtrans-57.9-49.8176-66.5177.7000110.1I139 V142 L174 Y253 K259 I260 L261 F273I139-I257 HydrophobicContact CG1-CD1 4.03Å; I139-I257 HydrophobicContact CG2-CD1 4.22Å; V142-I257 HydrophobicContact CG2-CD1 4.05Å; L174-I257 HydrophobicContact CD2-CD1 3.98Å; L174-I257 HydrophobicContact CD2-CG1 4.08Å; L174-I257 HydrophobicContact CD2-CG2 3.91Å; Y253-I257 HydrophobicContact CD1-CD1 3.79Å; Y253-I257 HydrophobicContact CD1-CG1 4.06Å; Y253-I257 HydrophobicContact CE1-CD1 3.99Å; Y253-I257 HydrophobicContact CE1-CG1 4.17Å; Y253-I257 WeakPolarHBondContact O-CG1 3.38Å; Y253-I257 PolarHBondContact O-N 3.25Å; I257-K259 VanDerWaalsContact C-N 3.31Å; I257-K259 PolarHBondContact O-N 3.14Å; I257-I260 PolarHBondContact O-N 3.44Å; I257-I260 VanDerWaalsContact O-N 3.1Å; I257-L261 HydrophobicContact CG2-CD1 3.65Å; I257-L261 HydrophobicContact CG2-CG 3.99Å; I257-L261 VanDerWaalsContact O-CG 3.3Å; I257-L261 WeakPolarHBondContact O-CG 3.37Å; I257-L261 PolarHBondContact O-N 3.4Å; I257-F273 HydrophobicContact CD1-CD2 4.37Å; I257-F273 HydrophobicContact CG2-CB 3.95Å; I257-F273 HydrophobicContact CG2-CD2 3.87Å; I257-F273 HydrophobicContact CG2-CG 4.21Å
258Y98.1Very high94.6Very high62 Ų6264.5 Ų64.524%0.24332%0.323CS..Hα-helixtrans-59.4-40.4-179.7-179.4-104.8000112.8A254 L256 L261 T262 T267 T274 H277A254-Y258 VanDerWaalsContact O-CB 3.29Å; A254-Y258 WeakPolarHBondContact O-CB 3.43Å; A254-Y258 PolarHBondContact O-N 2.78Å; L256-Y258 PolarHBondContact O-N 2.9Å; Y258-L261 PolarHBondContact O-N 2.95Å; Y258-T262 VanDerWaalsContact O-CB 3.31Å; Y258-T262 WeakPolarHBondContact O-CB 3.44Å; Y258-T262 PolarHBondContact O-N 2.99Å; Y258-T262 PolarHBondContact O-OG1 2.78Å; Y258-T267 HydrophobicContact CD2-CG2 4.26Å; Y258-T267 HydrophobicContact CE2-CG2 3.97Å; Y258-T274 HydrophobicContact CD2-CG2 4.06Å; Y258-T274 HydrophobicContact CE2-CG2 3.81Å; Y258-H277 AromaticContact CD1-CD2 3.15Å; Y258-H277 WeakPolarHBondContact CD1-CD2 3.47Å; Y258-H277 AromaticContact CD1-NE2 3.23Å; Y258-H277 WeakPolarHBondContact CD1-NE2 3.3Å; Y258-H277 HydrophobicContact CD2-CB 4.4Å; Y258-H277 AromaticContact CD2-CD2 3.68Å; Y258-H277 AromaticContact CE1-CD2 3.65Å; Y258-H277 AromaticContact CE1-NE2 3.7Å; Y258-H277 HydrophobicContact CG-CB 4.19Å; Y258-H277 AromaticContact CG-CD2 3.13Å; Y258-H277 AromaticContact CG-CG 3.67Å; Y258-H277 AromaticContact CG-NE2 3.71Å
259K98Very high95.6Very high144 Ų14463.9 Ų63.963%0.62632%0.316SS*.Hα-helixtrans-59.2-48.8174.2-177.6-179.4178-177.30111K255 L256 I257 T262 T263K255-K259 WeakPolarHBondContact O-CB 3.5Å; K255-K259 PolarHBondContact O-N 3.06Å; L256-K259 PolarHBondContact O-N 3.05Å; I257-K259 VanDerWaalsContact C-N 3.31Å; I257-K259 PolarHBondContact O-N 3.14Å; K259-T262 PolarHBondContact O-N 3.49Å; K259-T263 PolarHBondContact O-N 2.97Å; K259-T263 PolarHBondContact O-OG1 3.05Å; K259-T263 VanDerWaalsContact O-OG1 3.1Å
260I97.5Very high96.1Very high67 Ų6763.3 Ų63.334%0.34431%0.313SS..Hα-helixtrans-60.9-48.3179-65.6165000110.8L178 L256 I257 T262 T263 R264L178-I260 HydrophobicContact CD1-CD1 4.5Å; L178-I260 HydrophobicContact CD2-CG2 3.52Å; L256-I260 WeakPolarHBondContact O-CG1 3.43Å; L256-I260 PolarHBondContact O-N 2.85Å; I257-I260 PolarHBondContact O-N 3.44Å; I257-I260 VanDerWaalsContact O-N 3.1Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 2.8Å; I260-T263 PolarHBondContact O-N 2.79Å; I260-R264 WeakPolarHBondContact O-CG 3.45Å; I260-R264 PolarHBondContact O-N 3.33Å
261L97.9Very high96.5Very high0 Ų064 Ų640%032%0.317CS..Hα-helixtrans-62.3-39.4179.5-68.1178.8000112.5L174 I257 Y258 R264 H265 R266 T267 F270 F273L174-L261 HydrophobicContact CD1-CD2 4.01Å; I257-L261 HydrophobicContact CG2-CD1 3.65Å; I257-L261 HydrophobicContact CG2-CG 3.99Å; I257-L261 VanDerWaalsContact O-CG 3.3Å; I257-L261 WeakPolarHBondContact O-CG 3.37Å; I257-L261 PolarHBondContact O-N 3.4Å; Y258-L261 PolarHBondContact O-N 2.95Å; L261-R264 PolarHBondContact O-N 2.88Å; L261-H265 PolarHBondContact O-N 2.8Å; L261-R266 HydrophobicContact CD2-CB 3.99Å; L261-R266 PolarHBondContact O-N 2.81Å; L261-T267 HydrophobicContact CB-CG2 3.89Å; L261-F270 HydrophobicContact CD1-CB 3.63Å; L261-F270 HydrophobicContact CD1-CD2 4.14Å; L261-F270 HydrophobicContact CD1-CG 4.04Å; L261-F270 HydrophobicContact CD2-CB 4.38Å; L261-F270 HydrophobicContact CD2-CD2 3.28Å; L261-F270 HydrophobicContact CD2-CE2 3.58Å; L261-F270 HydrophobicContact CD2-CG 3.89Å; L261-F270 HydrophobicContact CD2-CZ 4.4Å; L261-F270 HydrophobicContact CG-CD2 4.33Å; L261-F273 HydrophobicContact CD1-CB 4.44Å
262T97.8Very high96.7Very high62 Ų6263.5 Ų63.538%0.3831%0.314SS..Hα-helixtrans-66.3-46.2177.8-59.20000110.8Y258 K259 I260 R264 H265Y258-T262 VanDerWaalsContact O-CB 3.31Å; Y258-T262 WeakPolarHBondContact O-CB 3.44Å; Y258-T262 PolarHBondContact O-N 2.99Å; Y258-T262 PolarHBondContact O-OG1 2.78Å; K259-T262 PolarHBondContact O-N 3.49Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 2.8Å; T262-R264 PolarHBondContact O-N 3.2Å; T262-H265 PolarHBondContact O-N 2.85Å; T262-H265 VanDerWaalsContact O-N 3.11Å
263T97.4Very high97Very high105 Ų10559.7 Ų59.764%0.64430%0.297SS*.Hα-helixtrans-60.4-30.2176.3-61.60000112.5K259 I260K259-T263 PolarHBondContact O-N 2.97Å; K259-T263 PolarHBondContact O-OG1 3.05Å; K259-T263 VanDerWaalsContact O-OG1 3.1Å; I260-T263 PolarHBondContact O-N 2.79Å
264R96.7Very high97.2Very high125 Ų12557.9 Ų57.947%0.47229%0.291SS..THydrogen-bonded Turntrans-92.1-2.1179.1-63.7178.170.383.6-3.8113.9E177 I260 L261 T262 R266E177-R264 IonicContact OE1-CZ 2.81Å; E177-R264 IonicContact OE1-NE 3.54Å; E177-R264 PolarHBondContact OE1-NE 3Å; E177-R264 IonicContact OE1-NH2 2.69Å; E177-R264 PolarHBondContact OE1-NH2 3.21Å; I260-R264 WeakPolarHBondContact O-CG 3.45Å; I260-R264 PolarHBondContact O-N 3.33Å; L261-R264 PolarHBondContact O-N 2.88Å; T262-R264 PolarHBondContact O-N 3.2Å; R264-R266 VanDerWaalsContact C-N 3.29Å; R264-R266 HydrophobicContact CB-CB 4.36Å; R264-R266 HydrophobicContact CB-CG 3.76Å; R264-R266 WeakPolarHBondContact O-CG 3.25Å; R264-R266 PolarHBondContact O-N 2.86Å
265H97.1Very high97.3Very high172 Ų17258 Ų5880%0.79629%0.292SS*.THydrogen-bonded Turntrans57.437.9-171.8-54.5-74000113.8L261 T262L261-H265 PolarHBondContact O-N 2.8Å; T262-H265 PolarHBondContact O-N 2.85Å; T262-H265 VanDerWaalsContact O-N 3.11Å
266R96.8Very high97.4Very high74 Ų7453.2 Ų53.228%0.27927%0.271SS..  trans-1121.3-173.2-65.4-73.3-72.6153.50.9114.5E177 L261 R264 A268 H269 F270E177-R266 WeakPolarHBondContact OE1-CG 3.27Å; E177-R266 IonicContact OE1-NE 3.8Å; E177-R266 PolarHBondContact OE1-NE 3.08Å; E177-R266 IonicContact OE2-CZ 3.69Å; E177-R266 VanDerWaalsContact OE2-CZ 3.27Å; E177-R266 IonicContact OE2-NE 3.19Å; E177-R266 PolarHBondContact OE2-NE 3.42Å; E177-R266 IonicContact OE2-NH2 3.56Å; E177-R266 PolarHBondContact OE2-NH2 3.1Å; L261-R266 HydrophobicContact CD2-CB 3.99Å; L261-R266 PolarHBondContact O-N 2.81Å; R264-R266 VanDerWaalsContact C-N 3.29Å; R264-R266 HydrophobicContact CB-CB 4.36Å; R264-R266 HydrophobicContact CB-CG 3.76Å; R264-R266 WeakPolarHBondContact O-CG 3.25Å; R264-R266 PolarHBondContact O-N 2.86Å; R266-A268 VanDerWaalsContact C-N 3.25Å; R266-A268 PolarHBondContact O-N 3.43Å; R266-A268 VanDerWaalsContact O-N 3.14Å; R266-H269 PolarHBondContact NH2-CD2 3.2Å; R266-H269 PolarHBondContact NH2-NE2 3.5Å; R266-H269 WeakPolarHBondContact O-CA 3.44Å; R266-H269 WeakPolarHBondContact O-CB 3.41Å; R266-H269 PolarHBondContact O-N 3.02Å; R266-F270 HydrophobicContact CB-CD2 4.3Å; R266-F270 HydrophobicContact CB-CE2 4.15Å; R266-F270 WeakPolarHBondContact O-CD2 3.17Å
267T96.9Very high97.5Very high44 Ų4449.1 Ų49.127%0.2725%0.25SC..G310 helixtrans-53.7-37.4-176.451.60000114Y258 L261 H269 F270 T274Y258-T267 HydrophobicContact CD2-CG2 4.26Å; Y258-T267 HydrophobicContact CE2-CG2 3.97Å; L261-T267 HydrophobicContact CB-CG2 3.89Å; T267-H269 PolarHBondContact O-N 2.95Å; T267-F270 CarbonylContact O-C 3.59Å; T267-F270 PolarHBondContact O-N 3.08Å; T267-T274 PolarHBondContact O-OG1 2.85Å
268A95.7Very high97.5Very high85 Ų8552.9 Ų52.970%0.70226%0.263SS*.G310 helixtrans-65.3-21.6176.900000113.8R266R266-A268 VanDerWaalsContact C-N 3.25Å; R266-A268 PolarHBondContact O-N 3.43Å; R266-A268 VanDerWaalsContact O-N 3.14Å
269H96.5Very high97.3Very high44 Ų4450 Ų5020%0.20425%0.252CS..G310 helixtrans-85.3-17.4178.8-160.273.8000113.2W169 R266 T267 P271W169-H269 AromaticContact CH2-CD2 3.94Å; W169-H269 AromaticContact CH2-CE1 3.73Å; W169-H269 AromaticContact CH2-NE2 3.46Å; W169-H269 WeakPolarHBondContact CH2-NE2 3.39Å; R266-H269 PolarHBondContact NH2-CD2 3.2Å; R266-H269 PolarHBondContact NH2-NE2 3.5Å; R266-H269 WeakPolarHBondContact O-CA 3.44Å; R266-H269 WeakPolarHBondContact O-CB 3.41Å; R266-H269 PolarHBondContact O-N 3.02Å; T267-H269 PolarHBondContact O-N 2.95Å; H269-P271 WeakPolarHBondContact O-CD 3.26Å
270F97.8Very high97.1Very high0 Ų043.3 Ų43.30%022%0.223CC..  trans-127.562.4-178.4-58.6-92000110.7E170 E173 L174 L261 R266 T267 L272 F273 T274E170-F270 HydrophobicContact CB-CD1 3.92Å; E170-F270 VanDerWaalsContact CD-CA 3.45Å; E170-F270 HydrophobicContact CG-CD1 3.97Å; E170-F270 WeakPolarHBondContact O-CE1 3.36Å; E170-F270 WeakPolarHBondContact OE1-CA 3.32Å; E173-F270 HydrophobicContact CB-CE1 3.82Å; E173-F270 HydrophobicContact CB-CZ 4.08Å; L174-F270 HydrophobicContact CB-CD1 4.5Å; L174-F270 HydrophobicContact CB-CE1 3.81Å; L174-F270 HydrophobicContact CB-CZ 4.33Å; L174-F270 HydrophobicContact CD1-CE1 4.43Å; L174-F270 HydrophobicContact CD1-CZ 4.36Å; L261-F270 HydrophobicContact CD1-CB 3.63Å; L261-F270 HydrophobicContact CD1-CD2 4.14Å; L261-F270 HydrophobicContact CD1-CG 4.04Å; L261-F270 HydrophobicContact CD2-CB 4.38Å; L261-F270 HydrophobicContact CD2-CD2 3.28Å; L261-F270 HydrophobicContact CD2-CE2 3.58Å; L261-F270 HydrophobicContact CD2-CG 3.89Å; L261-F270 HydrophobicContact CD2-CZ 4.4Å; L261-F270 HydrophobicContact CG-CD2 4.33Å; R266-F270 HydrophobicContact CB-CD2 4.3Å; R266-F270 HydrophobicContact CB-CE2 4.15Å; R266-F270 WeakPolarHBondContact O-CD2 3.17Å; T267-F270 CarbonylContact O-C 3.59Å; T267-F270 PolarHBondContact O-N 3.08Å; F270-L272 VanDerWaalsContact C-N 3.31Å; F270-L272 PolarHBondContact O-N 3.13Å; F270-F273 HydrophobicContact CB-CB 4.47Å; F270-F273 HydrophobicContact CB-CD2 4.3Å; F270-F273 HydrophobicContact CD1-CD2 4.1Å; F270-F273 HydrophobicContact CD1-CE2 4.26Å; F270-F273 PolarHBondContact O-N 3.08Å; F270-T274 VanDerWaalsContact O-CB 3.24Å; F270-T274 WeakPolarHBondContact O-CB 3.3Å; F270-T274 PolarHBondContact O-N 3.25Å; F270-T274 PolarHBondContact O-OG1 3.5Å
271P97.9Very high96.9Very high13 Ų1344 Ų448%0.08423%0.225CC..Hα-helixtrans-69.5-23.6-173.729.1-35.3000113.5E170 H269 G275 C292 H296E170-P271 WeakPolarHBondContact OE1-CD 3.02Å; E170-P271 VanDerWaalsContact OE1-N 3.11Å; H269-P271 WeakPolarHBondContact O-CD 3.26Å; P271-G275 WeakPolarHBondContact O-CA 3.36Å; P271-G275 PolarHBondContact O-N 3.05Å; P271-C292 HydrophobicContact CB-CB 4.05Å; P271-C292 WeakPolarHBondContact CG-O 3.29Å; P271-C292 WeakPolarHBondContact O-CB 3.44Å; P271-H296 HydrophobicContact CG-CB 4.06Å; P271-H296 VanDerWaalsContact CG-CD2 3.41Å; P271-H296 WeakPolarHBondContact CG-CD2 3.28Å
272L98.3Very high96.6Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-66.1-57171.7176.479.7000110.2V143 A146 V163 I166 G167 E170 F270 T274 G275 V276 L289 L293V143-L272 HydrophobicContact CG1-CD2 4.45Å; V143-L272 HydrophobicContact CG2-CD2 4.21Å; A146-L272 HydrophobicContact CB-CD1 3.54Å; A146-L272 HydrophobicContact CB-CG 4.41Å; V163-L272 HydrophobicContact CG1-CD1 4.16Å; I166-L272 HydrophobicContact CG2-CB 3.94Å; I166-L272 HydrophobicContact CG2-CD2 4.18Å; G167-L272 VanDerWaalsContact CA-CD2 3.48Å; E170-L272 VanDerWaalsContact CD-CB 3.47Å; E170-L272 WeakPolarHBondContact OE1-CA 3.35Å; E170-L272 WeakPolarHBondContact OE1-CB 3.44Å; E170-L272 PolarHBondContact OE1-N 3.36Å; E170-L272 WeakPolarHBondContact OE2-CB 3.33Å; F270-L272 VanDerWaalsContact C-N 3.31Å; F270-L272 PolarHBondContact O-N 3.13Å; L272-T274 VanDerWaalsContact C-N 3.3Å; L272-T274 PolarHBondContact O-N 3.34Å; L272-G275 PolarHBondContact O-N 2.99Å; L272-V276 WeakPolarHBondContact O-CG2 3.47Å; L272-V276 PolarHBondContact O-N 2.64Å; L272-L289 HydrophobicContact CD1-CD1 4.41Å; L272-L293 HydrophobicContact CB-CD2 4.49Å; L272-L293 HydrophobicContact CD1-CD2 3.53Å
273F98.1Very high96.4Very high0 Ų052.2 Ų52.20%026%0.263CS..Hα-helixtrans-61.1-41.5-179.7-62.9-18.6000111.9I139 V142 V143 E170 M171 L174 I257 L261 F270 H277I139-F273 HydrophobicContact CG2-CE1 3.64Å; I139-F273 HydrophobicContact CG2-CE2 3.91Å; I139-F273 HydrophobicContact CG2-CZ 3.24Å; V142-F273 HydrophobicContact CB-CD1 4.38Å; V142-F273 HydrophobicContact CG1-CB 4.47Å; V142-F273 HydrophobicContact CG1-CD1 3.74Å; V142-F273 HydrophobicContact CG1-CE1 4.46Å; V142-F273 HydrophobicContact CG1-CG 4.4Å; V143-F273 HydrophobicContact CG2-CE1 3.84Å; E170-F273 HydrophobicContact CB-CD2 4.07Å; E170-F273 HydrophobicContact CB-CE1 3.99Å; E170-F273 HydrophobicContact CB-CE2 3.51Å; E170-F273 HydrophobicContact CB-CZ 3.44Å; E170-F273 VanDerWaalsContact CB-CZ 3.44Å; E170-F273 WeakPolarHBondContact OE2-CD1 3.37Å; E170-F273 WeakPolarHBondContact OE2-CD2 3.46Å; E170-F273 WeakPolarHBondContact OE2-CG 3.26Å; E170-F273 PolarHBondContact OE2-N 3.21Å; M171-F273 HydrophobicContact CG-CZ 4.02Å; L174-F273 HydrophobicContact CB-CE2 4.26Å; L174-F273 HydrophobicContact CD2-CD2 4.1Å; L174-F273 HydrophobicContact CD2-CE2 3.82Å; I257-F273 HydrophobicContact CD1-CD2 4.37Å; I257-F273 HydrophobicContact CG2-CB 3.95Å; I257-F273 HydrophobicContact CG2-CD2 3.87Å; I257-F273 HydrophobicContact CG2-CG 4.21Å; L261-F273 HydrophobicContact CD1-CB 4.44Å; F270-F273 HydrophobicContact CB-CB 4.47Å; F270-F273 HydrophobicContact CB-CD2 4.3Å; F270-F273 HydrophobicContact CD1-CD2 4.1Å; F270-F273 HydrophobicContact CD1-CE2 4.26Å; F270-F273 PolarHBondContact O-N 3.08Å; F273-H277 PolarHBondContact O-N 3.07Å; F273-H277 VanDerWaalsContact O-N 3.08Å
274T98.2Very high96.3Very high15 Ų1547.8 Ų47.89%0.09224%0.235CC..Hα-helixtrans-63.2-45.5175.5-61.30000111.6Y258 T267 F270 L272 H277 R278Y258-T274 HydrophobicContact CD2-CG2 4.06Å; Y258-T274 HydrophobicContact CE2-CG2 3.81Å; T267-T274 PolarHBondContact O-OG1 2.85Å; F270-T274 VanDerWaalsContact O-CB 3.24Å; F270-T274 WeakPolarHBondContact O-CB 3.3Å; F270-T274 PolarHBondContact O-N 3.25Å; F270-T274 PolarHBondContact O-OG1 3.5Å; L272-T274 VanDerWaalsContact C-N 3.3Å; L272-T274 PolarHBondContact O-N 3.34Å; T274-H277 PolarHBondContact O-N 2.91Å; T274-R278 WeakPolarHBondContact O-CG 3.35Å; T274-R278 PolarHBondContact O-N 3.36Å
275G97.9Very high96.2Very high1 Ų148.6 Ų48.61%0.0124%0.242CC..Hα-helixtrans-61.8-45.8178.600000112P271 L272 H277 R278 I279P271-G275 WeakPolarHBondContact O-CA 3.36Å; P271-G275 PolarHBondContact O-N 3.05Å; L272-G275 PolarHBondContact O-N 2.99Å; G275-H277 PolarHBondContact O-N 3.27Å; G275-R278 PolarHBondContact O-N 2.96Å; G275-I279 WeakPolarHBondContact O-CD1 3.24Å; G275-I279 VanDerWaalsContact O-CG1 3.23Å; G275-I279 WeakPolarHBondContact O-CG1 3.43Å; G275-I279 PolarHBondContact O-N 3.08Å
276V97.8Very high96.1Very high1 Ų141.4 Ų41.41%0.00621%0.211CC..Hα-helixtrans-58.8-47.9176.61710000111.3V142 I145 A146 A254 L272 R278 I279 C280V142-V276 HydrophobicContact CG1-CB 3.94Å; V142-V276 HydrophobicContact CG1-CG1 3.76Å; V142-V276 HydrophobicContact CG1-CG2 4.29Å; I145-V276 HydrophobicContact CB-CG1 3.93Å; I145-V276 HydrophobicContact CD1-CG1 4.35Å; I145-V276 HydrophobicContact CG2-CG1 3.7Å; A146-V276 HydrophobicContact CB-CG2 3.63Å; A254-V276 HydrophobicContact CB-CG1 4.22Å; L272-V276 WeakPolarHBondContact O-CG2 3.47Å; L272-V276 PolarHBondContact O-N 2.64Å; V276-R278 PolarHBondContact O-N 3.21Å; V276-I279 PolarHBondContact O-N 3.44Å; V276-C280 PolarHBondContact O-N 3.33Å; V276-C280 PolarHBondContact O-SG 2.84Å
277H97.2Very high96.1Very high11 Ų1142.9 Ų42.95%0.05122%0.221CC..Hα-helixtrans-57.4-51177.417465.3000111.5A254 K255 Y258 F273 T274 G275 I279 C280 Q281A254-H277 HydrophobicContact CB-CB 4.2Å; K255-H277 WeakPolarHBondContact CA-ND1 3.28Å; Y258-H277 AromaticContact CD1-CD2 3.15Å; Y258-H277 WeakPolarHBondContact CD1-CD2 3.47Å; Y258-H277 AromaticContact CD1-NE2 3.23Å; Y258-H277 WeakPolarHBondContact CD1-NE2 3.3Å; Y258-H277 HydrophobicContact CD2-CB 4.4Å; Y258-H277 AromaticContact CD2-CD2 3.68Å; Y258-H277 AromaticContact CE1-CD2 3.65Å; Y258-H277 AromaticContact CE1-NE2 3.7Å; Y258-H277 HydrophobicContact CG-CB 4.19Å; Y258-H277 AromaticContact CG-CD2 3.13Å; Y258-H277 AromaticContact CG-CG 3.67Å; Y258-H277 AromaticContact CG-NE2 3.71Å; F273-H277 PolarHBondContact O-N 3.07Å; F273-H277 VanDerWaalsContact O-N 3.08Å; T274-H277 PolarHBondContact O-N 2.91Å; G275-H277 PolarHBondContact O-N 3.27Å; H277-I279 VanDerWaalsContact C-N 3.32Å; H277-I279 PolarHBondContact O-N 3.26Å; H277-C280 WeakPolarHBondContact O-CA 3.33Å; H277-C280 WeakPolarHBondContact O-CB 3.24Å; H277-C280 PolarHBondContact O-N 3.01Å; H277-C280 VanDerWaalsContact O-N 3.07Å; H277-Q281 VanDerWaalsContact CE1-CG 3.46Å; H277-Q281 WeakPolarHBondContact CE1-CG 3.36Å; H277-Q281 WeakPolarHBondContact O-CG 3.5Å; H277-Q281 PolarHBondContact O-N 3.24Å
278R97.1Very high96Very high85 Ų8544.7 Ų44.732%0.32123%0.227SC..Hα-helixtrans-63.2-36.5-178.3-68.9177.763.4-160.3-7.3112.5T274 G275 V276 Q281 N282 E283 L284T274-R278 WeakPolarHBondContact O-CG 3.35Å; T274-R278 PolarHBondContact O-N 3.36Å; G275-R278 PolarHBondContact O-N 2.96Å; V276-R278 PolarHBondContact O-N 3.21Å; R278-Q281 CarbonylContact O-C 3.59Å; R278-Q281 PolarHBondContact O-N 3.45Å; R278-N282 PolarHBondContact O-N 2.89Å; R278-E283 HydrophobicContact CB-CB 4.11Å; R278-E283 HydrophobicContact CG-CB 4.49Å; R278-E283 PolarHBondContact NH2-O 2.75Å; R278-E283 PolarHBondContact O-N 2.91Å; R278-L284 HydrophobicContact CB-CB 3.64Å; R278-L284 HydrophobicContact CB-CD2 4.45Å; R278-L284 PolarHBondContact O-N 2.76Å
279I95.7Very high96.1Very high3 Ų340.8 Ų40.82%0.01519%0.194CC..Hα-helixtrans-63.1-44.5172.6-67.7162.1000110.4V149 L227 G275 V276 H277 Q281 N282 L284 P286 L289V149-I279 HydrophobicContact CG2-CG2 4.48Å; L227-I279 HydrophobicContact CB-CG2 4.31Å; L227-I279 HydrophobicContact CD1-CG2 4.21Å; G275-I279 WeakPolarHBondContact O-CD1 3.24Å; G275-I279 VanDerWaalsContact O-CG1 3.23Å; G275-I279 WeakPolarHBondContact O-CG1 3.43Å; G275-I279 PolarHBondContact O-N 3.08Å; V276-I279 PolarHBondContact O-N 3.44Å; H277-I279 VanDerWaalsContact C-N 3.32Å; H277-I279 PolarHBondContact O-N 3.26Å; I279-Q281 PolarHBondContact O-N 3.19Å; I279-N282 PolarHBondContact O-N 3.4Å; I279-L284 WeakPolarHBondContact CA-O 3.49Å; I279-L284 HydrophobicContact CD1-CD2 4.44Å; I279-L284 HydrophobicContact CG1-CB 4.08Å; I279-L284 HydrophobicContact CG1-CD2 4.14Å; I279-L284 HydrophobicContact CG1-CG 4.29Å; I279-L284 WeakPolarHBondContact CG1-O 3.49Å; I279-P286 HydrophobicContact CG2-CG 4.21Å; I279-L289 HydrophobicContact CD1-CB 3.85Å; I279-L289 HydrophobicContact CD1-CD1 4.08Å; I279-L289 HydrophobicContact CD1-CD2 4.46Å; I279-L289 HydrophobicContact CD1-CG 4.35Å
280C93.7Very high96.1Very high3 Ų342.1 Ų42.12%0.0220%0.202CC..Hα-helixtrans-63.7-26.6176.9-63.60000113.1L236 V251 V276 H277L236-C280 WeakPolarHBondContact CD1-O 3.4Å; V251-C280 HydrophobicContact CG1-CB 3.99Å; V276-C280 PolarHBondContact O-N 3.33Å; V276-C280 PolarHBondContact O-SG 2.84Å; H277-C280 WeakPolarHBondContact O-CA 3.33Å; H277-C280 WeakPolarHBondContact O-CB 3.24Å; H277-C280 PolarHBondContact O-N 3.01Å; H277-C280 VanDerWaalsContact O-N 3.07Å
281Q92.9Very high96Very high82 Ų8245 Ų4538%0.38322%0.222SC..THydrogen-bonded Turntrans-89.12.4174.5-59.6-49.7-60.600113.9H277 R278 I279 E283H277-Q281 VanDerWaalsContact CE1-CG 3.46Å; H277-Q281 WeakPolarHBondContact CE1-CG 3.36Å; H277-Q281 WeakPolarHBondContact O-CG 3.5Å; H277-Q281 PolarHBondContact O-N 3.24Å; R278-Q281 CarbonylContact O-C 3.59Å; R278-Q281 PolarHBondContact O-N 3.45Å; I279-Q281 PolarHBondContact O-N 3.19Å; Q281-E283 HydrophobicContact CB-CG 3.82Å; Q281-E283 PolarHBondContact O-N 2.83Å
282N91Very high95.9Very high125 Ų12545 Ų4567%0.66822%0.223SC*.THydrogen-bonded Turntrans58.624.4-170.5-60.4-58.9000114.6R278 I279R278-N282 PolarHBondContact O-N 2.89Å; I279-N282 PolarHBondContact O-N 3.4Å
283E94Very high95.8Very high108 Ų10845.5 Ų45.551%0.50523%0.225SC..SBendtrans-93.2-8.3177.7-63.7175.717800113.3R278 Q281R278-E283 HydrophobicContact CB-CB 4.11Å; R278-E283 HydrophobicContact CG-CB 4.49Å; R278-E283 PolarHBondContact NH2-O 2.75Å; R278-E283 PolarHBondContact O-N 2.91Å; Q281-E283 HydrophobicContact CB-CG 3.82Å; Q281-E283 PolarHBondContact O-N 2.83Å
284L94.9Very high95.6Very high12 Ų1249.6 Ų49.66%0.06325%0.254CS..SBendtrans-144.4133.6178.8-171.372.6000108.5R278 I279 E288R278-L284 HydrophobicContact CB-CB 3.64Å; R278-L284 HydrophobicContact CB-CD2 4.45Å; R278-L284 PolarHBondContact O-N 2.76Å; I279-L284 WeakPolarHBondContact CA-O 3.49Å; I279-L284 HydrophobicContact CD1-CD2 4.44Å; I279-L284 HydrophobicContact CG1-CB 4.08Å; I279-L284 HydrophobicContact CG1-CD2 4.14Å; I279-L284 HydrophobicContact CG1-CG 4.29Å; I279-L284 WeakPolarHBondContact CG1-O 3.49Å; L284-E288 HydrophobicContact CD1-CB 3.62Å; L284-E288 HydrophobicContact CD1-CG 4.23Å; L284-E288 HydrophobicContact CD2-CB 4.34Å; L284-E288 HydrophobicContact CG-CB 3.8Å
285K95Very high95.3Very high142 Ų14253 Ų5362%0.61728%0.278SS*.  trans-70.7145.5177.6-63.3176.3-178.91740109.8Q287 E288K285-Q287 PolarHBondContact O-N 3.11Å; K285-Q287 VanDerWaalsContact O-N 3.09Å; K285-E288 HydrophobicContact CB-CG 4.16Å; K285-E288 VanDerWaalsContact CB-OE2 3.27Å; K285-E288 WeakPolarHBondContact CB-OE2 3.26Å; K285-E288 WeakPolarHBondContact CG-OE2 3.34Å; K285-E288 PolarHBondContact N-OE2 3.09Å; K285-E288 WeakPolarHBondContact O-CB 3.38Å; K285-E288 PolarHBondContact O-N 2.85Å
286P95.2Very high95.3Very high22 Ų2253 Ų5314%0.14328%0.278CS..G310 helixtrans-51.7-36.3177.3-27.733.5000113.9V149 L153 L227 I279 E288 L289V149-P286 HydrophobicContact CG1-CB 3.96Å; L153-P286 HydrophobicContact CD1-CB 4.32Å; L153-P286 HydrophobicContact CD2-CB 4.39Å; L227-P286 VanDerWaalsContact O-CG 3.25Å; L227-P286 WeakPolarHBondContact O-CG 3.36Å; I279-P286 HydrophobicContact CG2-CG 4.21Å; P286-E288 VanDerWaalsContact C-N 3.26Å; P286-E288 PolarHBondContact O-N 2.83Å; P286-L289 VanDerWaalsContact O-CB 3.24Å; P286-L289 WeakPolarHBondContact O-CB 3.44Å; P286-L289 PolarHBondContact O-N 2.74Å
287Q95.4Very high95.1Very high105 Ų10554.7 Ų54.749%0.49129%0.289SS..G310 helixtrans-64.7-29.6178.4-63.679.37.600112.8L153 K285 L289 L290L153-Q287 HydrophobicContact CD1-CG 4.43Å; L153-Q287 HydrophobicContact CD2-CG 4.01Å; K285-Q287 PolarHBondContact O-N 3.11Å; K285-Q287 VanDerWaalsContact O-N 3.09Å; Q287-L289 PolarHBondContact O-N 2.88Å; Q287-L290 PolarHBondContact O-N 2.85Å
288E96.3Very high94.9Very high82 Ų8256.3 Ų56.338%0.38330%0.298SS..G310 helixtrans-73.1-12180-63.2175.986.400112.2L284 K285 P286 L290 S291 C292L284-E288 HydrophobicContact CD1-CB 3.62Å; L284-E288 HydrophobicContact CD1-CG 4.23Å; L284-E288 HydrophobicContact CD2-CB 4.34Å; L284-E288 HydrophobicContact CG-CB 3.8Å; K285-E288 HydrophobicContact CB-CG 4.16Å; K285-E288 VanDerWaalsContact CB-OE2 3.27Å; K285-E288 WeakPolarHBondContact CB-OE2 3.26Å; K285-E288 WeakPolarHBondContact CG-OE2 3.34Å; K285-E288 PolarHBondContact N-OE2 3.09Å; K285-E288 WeakPolarHBondContact O-CB 3.38Å; K285-E288 PolarHBondContact O-N 2.85Å; P286-E288 VanDerWaalsContact C-N 3.26Å; P286-E288 PolarHBondContact O-N 2.83Å; E288-L290 PolarHBondContact O-N 3.06Å; E288-L290 VanDerWaalsContact O-N 3.17Å; E288-S291 WeakPolarHBondContact O-CB 3.3Å; E288-S291 PolarHBondContact O-N 2.82Å; E288-S291 PolarHBondContact O-OG 3.38Å; E288-C292 PolarHBondContact O-N 2.72Å
289L96.8Very high94.6Very high2 Ų256.9 Ų56.91%0.0130%0.304CS..Hα-helixtrans-53.3-36.5170.6-173.161000111.3A146 V149 L272 I279 P286 Q287 S291 C292 L293A146-L289 HydrophobicContact CB-CD2 4.11Å; V149-L289 HydrophobicContact CB-CD2 3.82Å; V149-L289 HydrophobicContact CG1-CB 4.34Å; V149-L289 HydrophobicContact CG1-CD2 3.59Å; L272-L289 HydrophobicContact CD1-CD1 4.41Å; I279-L289 HydrophobicContact CD1-CB 3.85Å; I279-L289 HydrophobicContact CD1-CD1 4.08Å; I279-L289 HydrophobicContact CD1-CD2 4.46Å; I279-L289 HydrophobicContact CD1-CG 4.35Å; P286-L289 VanDerWaalsContact O-CB 3.24Å; P286-L289 WeakPolarHBondContact O-CB 3.44Å; P286-L289 PolarHBondContact O-N 2.74Å; Q287-L289 PolarHBondContact O-N 2.88Å; L289-S291 VanDerWaalsContact C-N 3.26Å; L289-S291 PolarHBondContact O-N 3.27Å; L289-C292 WeakPolarHBondContact O-CB 3.42Å; L289-C292 PolarHBondContact O-N 3.29Å; L289-C292 VanDerWaalsContact O-N 3.14Å; L289-L293 WeakPolarHBondContact O-CG 3.26Å; L289-L293 PolarHBondContact O-N 3.49Å
290L96.5Very high94Very high72 Ų7264.7 Ų64.738%0.37736%0.358SS..Hα-helixtrans-58.6-38.2176.6-72.9177.9000112.6L155 T159 Q287 E288 L293 S294L155-L290 HydrophobicContact CD1-CD1 4.06Å; L155-L290 HydrophobicContact CD1-CD2 3.74Å; L155-L290 HydrophobicContact CD1-CG 4.02Å; L155-L290 HydrophobicContact CD2-CD1 4.2Å; T159-L290 HydrophobicContact CG2-CD2 3.86Å; Q287-L290 PolarHBondContact O-N 2.85Å; E288-L290 PolarHBondContact O-N 3.06Å; E288-L290 VanDerWaalsContact O-N 3.17Å; L290-L293 HydrophobicContact CD2-CD1 4.48Å; L290-L293 PolarHBondContact O-N 3.32Å; L290-S294 WeakPolarHBondContact O-CB 3.48Å; L290-S294 PolarHBondContact O-N 3.3Å; L290-S294 PolarHBondContact O-OG 3.45Å
291S95.8Very high94.1Very high60 Ų6067.8 Ų67.842%0.4238%0.375SS..Hα-helixtrans-64.3-44.9176.873.60000110.6E288 L289 L293 S294 S295E288-S291 WeakPolarHBondContact O-CB 3.3Å; E288-S291 PolarHBondContact O-N 2.82Å; E288-S291 PolarHBondContact O-OG 3.38Å; L289-S291 VanDerWaalsContact C-N 3.26Å; L289-S291 PolarHBondContact O-N 3.27Å; S291-L293 VanDerWaalsContact C-N 3.31Å; S291-L293 PolarHBondContact O-N 3.19Å; S291-S294 WeakPolarHBondContact CA-OG 3.39Å; S291-S294 PolarHBondContact O-N 3.09Å; S291-S294 VanDerWaalsContact O-N 3.14Å; S291-S294 PolarHBondContact O-OG 3.1Å; S291-S295 WeakPolarHBondContact O-CB 3.18Å; S291-S295 PolarHBondContact O-N 3.36Å; S291-S295 PolarHBondContact O-OG 3.13Å; S291-S295 VanDerWaalsContact O-OG 3.07Å
292C96.3Very high94.1Very high15 Ų1567 Ų6710%0.10138%0.375CS..Hα-helixtrans-57.7-41.8176-58.30000112.4P271 E288 L289P271-C292 HydrophobicContact CB-CB 4.05Å; P271-C292 WeakPolarHBondContact CG-O 3.29Å; P271-C292 WeakPolarHBondContact O-CB 3.44Å; E288-C292 PolarHBondContact O-N 2.72Å; L289-C292 WeakPolarHBondContact O-CB 3.42Å; L289-C292 PolarHBondContact O-N 3.29Å; L289-C292 VanDerWaalsContact O-N 3.14Å
293L95.5Very high94.3Very high10 Ų1063.8 Ų63.85%0.05236%0.358CS..Hα-helixtrans-69.4-40.9176.6-59.9175.7000112V163 I166 L272 L289 L290 S291 H296 H299V163-L293 HydrophobicContact CG2-CD1 3.6Å; V163-L293 HydrophobicContact CG2-CD2 4.14Å; I166-L293 HydrophobicContact CD1-CB 4.01Å; I166-L293 HydrophobicContact CD1-CD2 3.83Å; I166-L293 HydrophobicContact CD1-CG 4.49Å; I166-L293 HydrophobicContact CG2-CD2 4.38Å; L272-L293 HydrophobicContact CB-CD2 4.49Å; L272-L293 HydrophobicContact CD1-CD2 3.53Å; L289-L293 WeakPolarHBondContact O-CG 3.26Å; L289-L293 PolarHBondContact O-N 3.49Å; L290-L293 HydrophobicContact CD2-CD1 4.48Å; L290-L293 PolarHBondContact O-N 3.32Å; S291-L293 VanDerWaalsContact C-N 3.31Å; S291-L293 PolarHBondContact O-N 3.19Å; L293-H296 VanDerWaalsContact O-CB 3.25Å; L293-H296 WeakPolarHBondContact O-CB 3.27Å; L293-H296 PolarHBondContact O-N 3.26Å; L293-H299 PolarHBondContact O-NE2 2.84Å
294S95Very high94.3Very high86 Ų8661.2 Ų61.260%0.60135%0.35SS*.Hα-helixtrans-71.9-34-176.969.60000113.2L290 S291 H296 H299L290-S294 WeakPolarHBondContact O-CB 3.48Å; L290-S294 PolarHBondContact O-N 3.3Å; L290-S294 PolarHBondContact O-OG 3.45Å; S291-S294 WeakPolarHBondContact CA-OG 3.39Å; S291-S294 PolarHBondContact O-N 3.09Å; S291-S294 VanDerWaalsContact O-N 3.14Å; S291-S294 PolarHBondContact O-OG 3.1Å; S294-H296 PolarHBondContact O-N 3.42Å; S294-H299 PolarHBondContact O-CD2 2.76Å
295S92.3Very high94.3Very high86 Ų8664.3 Ų64.360%0.60137%0.368SS*.THydrogen-bonded Turntrans-88.712.4178.469.90000112.9S291S291-S295 WeakPolarHBondContact O-CB 3.18Å; S291-S295 PolarHBondContact O-N 3.36Å; S291-S295 PolarHBondContact O-OG 3.13Å; S291-S295 VanDerWaalsContact O-OG 3.07Å
296H96.7Very high94.2Very high1 Ų159.1 Ų59.11%0.00535%0.351CS..  trans-69.4135.1-171.4-174.3-70.8000111.5I166 W169 E170 P271 L293 S294 I298 H299I166-H296 HydrophobicContact CD1-CB 4.31Å; I166-H296 WeakPolarHBondContact CG2-CD2 3.25Å; W169-H296 AromaticContact CD2-CE1 3.92Å; W169-H296 AromaticContact CE3-CE1 3.23Å; W169-H296 AromaticContact CE3-NE2 3.57Å; W169-H296 AromaticContact CH2-CE1 3.97Å; W169-H296 AromaticContact CZ3-CE1 3.27Å; W169-H296 WeakPolarHBondContact CZ3-CE1 3.31Å; W169-H296 AromaticContact CZ3-NE2 3.64Å; E170-H296 WeakPolarHBondContact CG-NE2 3.46Å; E170-H296 IonicContact OE1-CD2 3.69Å; E170-H296 PolarHBondContact OE1-CD2 3.23Å; E170-H296 IonicContact OE1-NE2 3.47Å; E170-H296 PolarHBondContact OE1-NE2 3.24Å; E170-H296 VanDerWaalsContact OE1-NE2 3.11Å; P271-H296 HydrophobicContact CG-CB 4.06Å; P271-H296 VanDerWaalsContact CG-CD2 3.41Å; P271-H296 WeakPolarHBondContact CG-CD2 3.28Å; L293-H296 VanDerWaalsContact O-CB 3.25Å; L293-H296 WeakPolarHBondContact O-CB 3.27Å; L293-H296 PolarHBondContact O-N 3.26Å; S294-H296 PolarHBondContact O-N 3.42Å; H296-I298 HydrophobicContact CB-CG2 4.36Å; H296-I298 VanDerWaalsContact ND1-CB 3.26Å; H296-I298 WeakPolarHBondContact ND1-CB 3.44Å; H296-I298 WeakPolarHBondContact ND1-CG2 3.46Å; H296-I298 PolarHBondContact ND1-N 2.84Å; H296-I298 PolarHBondContact O-N 2.77Å; H296-I298 VanDerWaalsContact O-N 3.08Å; H296-H299 PolarHBondContact O-CD2 2.66Å; H296-H299 PolarHBondContact O-N 3.03Å; H296-H299 VanDerWaalsContact O-N 3.11Å
297P94.6Very high94.2Very high37 Ų3761.7 Ų61.724%0.2437%0.366CS..G310 helixtrans-55.3-29.5-176.5-27.233.1000115.7H299 S300P297-H299 PolarHBondContact O-N 3.03Å; P297-S300 WeakPolarHBondContact O-CB 3.29Å; P297-S300 PolarHBondContact O-N 2.81Å
298I92.8Very high94.1Very high45 Ų4558.4 Ų58.423%0.23136%0.356CS..G310 helixtrans-53.5-20.4175.6-155.1175.4000114.9I166 W169 H296I166-I298 HydrophobicContact CG1-CG2 4.45Å; W169-I298 HydrophobicContact CB-CD1 3.55Å; W169-I298 HydrophobicContact CD2-CB 4.36Å; W169-I298 HydrophobicContact CD2-CD1 3.98Å; W169-I298 HydrophobicContact CD2-CG1 4.22Å; W169-I298 HydrophobicContact CG-CD1 3.3Å; W169-I298 HydrophobicContact CG-CG1 3.98Å; H296-I298 HydrophobicContact CB-CG2 4.36Å; H296-I298 VanDerWaalsContact ND1-CB 3.26Å; H296-I298 WeakPolarHBondContact ND1-CB 3.44Å; H296-I298 WeakPolarHBondContact ND1-CG2 3.46Å; H296-I298 PolarHBondContact ND1-N 2.84Å; H296-I298 PolarHBondContact O-N 2.77Å; H296-I298 VanDerWaalsContact O-N 3.08Å
299H90.7Very high93.9Very high97 Ų9756.4 Ų56.445%0.44935%0.354SS..G310 helixtrans-89.8-5.3179.6-44.9-65.6000113.2R165 L293 S294 H296 P297R165-H299 PolarHBondContact NH2-CE1 2.9Å; L293-H299 PolarHBondContact O-NE2 2.84Å; S294-H299 PolarHBondContact O-CD2 2.76Å; H296-H299 PolarHBondContact O-CD2 2.66Å; H296-H299 PolarHBondContact O-N 3.03Å; H296-H299 VanDerWaalsContact O-N 3.11Å; P297-H299 PolarHBondContact O-N 3.03Å
300S83.6Confident93.6Very high166 Ų16661.4 Ų61.4100%1.16139%0.385SS*.  trans-93.90176.9-520000111P297P297-S300 WeakPolarHBondContact O-CB 3.29Å; P297-S300 PolarHBondContact O-N 2.81Å

Retrieved 300 of 300 residues in 374.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).