A0A096NC98_PAPAN Loading...

Receptor transporter protein 3

AlphaFold DB , UniProt , Accession A0A096NC98, Species PAPAN (Papio anubis, Olive baboon), Gene RTP3, Length 232 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
1M53.9Low81.1Confident38 Ų3873.1 Ų73.119%0.18735%0.348CS..  0-22.70-82.7-154.3111.400114.2R3 D4 T5 M86 V88 D103M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 3.38Å; M1-D4 PolarHBondContact O-N 2.72Å; M1-T5 PolarHBondContact O-N 3.01Å; M1-T5 PolarHBondContact O-OG1 3.35Å; M1-M86 HydrophobicContact CE-CE 4.17Å; M1-V88 HydrophobicContact CE-CB 3.53Å; M1-V88 HydrophobicContact CE-CG1 4.49Å; M1-V88 HydrophobicContact CE-CG2 3.27Å; M1-V88 HydrophobicContact SD-CB 4.21Å; M1-V88 HydrophobicContact SD-CG2 4.47Å; M1-D103 HydrophobicContact CG-CB 4.24Å; M1-D103 VanDerWaalsContact N-CG 3.29Å; M1-D103 PolarHBondContact N-OD2 3.1Å
2T53.9Low82.5Confident131 Ų13167 Ų6780%0.80432%0.319SS*.THydrogen-bonded Turntrans-61.4-28.8-173.623.70000114.5E6T2-E6 VanDerWaalsContact O-OE2 3.04Å
3R57Low83.7Confident229 Ų22966.4 Ų66.486%0.86432%0.316SS*.THydrogen-bonded Turntrans-79.5-32.7-179-163.1176.7-71178.9-1114M1M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 3.38Å
4D70.9Confident84.6Confident44 Ų4468.2 Ų68.224%0.23532%0.324CS..THydrogen-bonded Turntrans-89-17.8-177.6-63.6-19.7000112.7M1 E6 V7 W8M1-D4 PolarHBondContact O-N 2.72Å; D4-E6 PolarHBondContact O-N 3.03Å; D4-E6 VanDerWaalsContact O-N 3.16Å; D4-V7 WeakPolarHBondContact O-CB 3.39Å; D4-V7 PolarHBondContact O-N 3.32Å; D4-W8 PolarHBondContact O-N 3.44Å; D4-W8 VanDerWaalsContact O-N 3.13Å
5T84.6Confident85.4Confident13 Ų1365.2 Ų65.28%0.0831%0.311CS..Hα-helixtrans-56.1-38.3-172.2-70.20000112.6M1 W8 K9 P29M1-T5 PolarHBondContact O-N 3.01Å; M1-T5 PolarHBondContact O-OG1 3.35Å; T5-W8 PolarHBondContact O-N 3.3Å; T5-K9 HydrophobicContact CG2-CD 4.07Å; T5-K9 VanDerWaalsContact CG2-NZ 3.34Å; T5-K9 VanDerWaalsContact O-CG 3.28Å; T5-K9 WeakPolarHBondContact O-CG 3.44Å; T5-K9 PolarHBondContact O-N 3.45Å; T5-P29 HydrophobicContact CG2-CG 3.5Å
6E91.8Very high86Confident88 Ų8861.3 Ų61.341%0.41129%0.292SS..Hα-helixtrans-69.5-38.8-179.4-76.653-119.900111.4T2 D4 K9 Q10T2-E6 VanDerWaalsContact O-OE2 3.04Å; D4-E6 PolarHBondContact O-N 3.03Å; D4-E6 VanDerWaalsContact O-N 3.16Å; E6-K9 PolarHBondContact O-N 2.79Å; E6-K9 IonicContact OE1-NZ 3.99Å; E6-K9 PolarHBondContact OE1-NZ 3.02Å; E6-Q10 WeakPolarHBondContact O-CB 3.33Å; E6-Q10 VanDerWaalsContact O-CG 3.31Å; E6-Q10 WeakPolarHBondContact O-CG 3.38Å; E6-Q10 PolarHBondContact O-N 2.82Å
7V94.2Very high86.5Confident35 Ų3566.1 Ų66.121%0.21231%0.307CS..Hα-helixtrans-61.4-48.3175.21790000110.3D4 K9 Q10 M11 Q108 I111D4-V7 WeakPolarHBondContact O-CB 3.39Å; D4-V7 PolarHBondContact O-N 3.32Å; V7-K9 VanDerWaalsContact C-N 3.33Å; V7-K9 PolarHBondContact O-N 3.08Å; V7-Q10 PolarHBondContact O-N 3.38Å; V7-M11 HydrophobicContact CG1-CG 4.35Å; V7-M11 HydrophobicContact CG1-SD 3.71Å; V7-M11 WeakPolarHBondContact O-CB 3.5Å; V7-M11 WeakPolarHBondContact O-CG 3.29Å; V7-M11 PolarHBondContact O-N 3.17Å; V7-Q108 HydrophobicContact CG1-CG 4.33Å; V7-I111 HydrophobicContact CG1-CD1 3.92Å
8W96.2Very high86.8Confident1 Ų169.7 Ų69.70%0.00432%0.324CS..Hα-helixtrans-56.7-46.2175.7-77.892.8000112.1D4 T5 F12 L27 F71 M86 F106 I111 I114 L115D4-W8 PolarHBondContact O-N 3.44Å; D4-W8 VanDerWaalsContact O-N 3.13Å; T5-W8 PolarHBondContact O-N 3.3Å; W8-F12 WeakPolarHBondContact O-CB 3.21Å; W8-F12 PolarHBondContact O-N 2.74Å; W8-F12 VanDerWaalsContact O-N 3.11Å; W8-L27 HydrophobicContact CB-CD2 4.47Å; W8-F71 HydrophobicContact CZ3-CZ 4.36Å; W8-M86 HydrophobicContact CB-CE 4.34Å; W8-M86 HydrophobicContact CD2-CE 3.95Å; W8-M86 HydrophobicContact CD2-SD 4.07Å; W8-M86 HydrophobicContact CE3-CE 4.12Å; W8-M86 HydrophobicContact CE3-SD 3.62Å; W8-M86 HydrophobicContact CG-CE 4.05Å; W8-M86 HydrophobicContact CH2-SD 4.43Å; W8-M86 HydrophobicContact CZ3-SD 3.84Å; W8-F106 AromaticContact CZ2-CD2 3.78Å; W8-F106 HydrophobicContact CZ2-CD2 3.78Å; W8-F106 AromaticContact CZ2-CE2 3.99Å; W8-F106 HydrophobicContact CZ2-CE2 3.99Å; W8-F106 HydrophobicContact CZ2-CG 4.12Å; W8-I111 HydrophobicContact CD2-CG1 4.31Å; W8-I111 HydrophobicContact CD2-CG2 3.72Å; W8-I111 HydrophobicContact CE3-CG2 3.87Å; W8-I111 HydrophobicContact CG-CG2 4.12Å; W8-I111 HydrophobicContact CH2-CG1 4.5Å; W8-I111 HydrophobicContact CZ2-CB 4.44Å; W8-I111 HydrophobicContact CZ2-CG1 3.8Å; W8-I111 HydrophobicContact CZ2-CG2 4.4Å; W8-I111 HydrophobicContact CZ3-CG2 4.29Å; W8-I114 HydrophobicContact CH2-CB 3.98Å; W8-I114 HydrophobicContact CH2-CD1 3.56Å; W8-I114 HydrophobicContact CH2-CG1 4.39Å; W8-I114 HydrophobicContact CH2-CG2 3.79Å; W8-I114 HydrophobicContact CZ2-CD1 4.26Å; W8-I114 HydrophobicContact CZ3-CB 4.06Å; W8-I114 HydrophobicContact CZ3-CD1 4.48Å; W8-I114 HydrophobicContact CZ3-CG2 3.72Å; W8-L115 HydrophobicContact CE3-CD1 4.15Å; W8-L115 HydrophobicContact CE3-CD2 3.71Å; W8-L115 HydrophobicContact CE3-CG 3.84Å; W8-L115 HydrophobicContact CZ3-CD2 3.99Å; W8-L115 HydrophobicContact CZ3-CG 4.02Å; W8-L115 WeakPolarHBondContact O-CD1 3.35Å
9K96.6Very high87Confident72 Ų7267.3 Ų67.331%0.31331%0.314SS..Hα-helixtrans-63.6-50.6179.1-72.9167.9-175.9162.40111.4T5 E6 V7 F12 Q13 L27T5-K9 HydrophobicContact CG2-CD 4.07Å; T5-K9 VanDerWaalsContact CG2-NZ 3.34Å; T5-K9 VanDerWaalsContact O-CG 3.28Å; T5-K9 WeakPolarHBondContact O-CG 3.44Å; T5-K9 PolarHBondContact O-N 3.45Å; E6-K9 PolarHBondContact O-N 2.79Å; E6-K9 IonicContact OE1-NZ 3.99Å; E6-K9 PolarHBondContact OE1-NZ 3.02Å; V7-K9 VanDerWaalsContact C-N 3.33Å; V7-K9 PolarHBondContact O-N 3.08Å; K9-F12 PolarHBondContact O-N 3.1Å; K9-Q13 VanDerWaalsContact O-CG 3.31Å; K9-Q13 WeakPolarHBondContact O-CG 3.28Å; K9-Q13 PolarHBondContact O-N 2.87Å; K9-L27 HydrophobicContact CG-CD2 4.4Å
10Q96.4Very high87.3Confident121 Ų12165.5 Ų65.557%0.56531%0.305SS*.Hα-helixtrans-61.2-52.8-176.4-75.9175.7-13.600111.4E6 V7 F12 Q13 E14E6-Q10 WeakPolarHBondContact O-CB 3.33Å; E6-Q10 VanDerWaalsContact O-CG 3.31Å; E6-Q10 WeakPolarHBondContact O-CG 3.38Å; E6-Q10 PolarHBondContact O-N 2.82Å; V7-Q10 PolarHBondContact O-N 3.38Å; Q10-F12 VanDerWaalsContact C-N 3.28Å; Q10-F12 PolarHBondContact O-N 2.82Å; Q10-Q13 WeakPolarHBondContact O-CB 3.49Å; Q10-Q13 PolarHBondContact O-N 2.62Å; Q10-Q13 VanDerWaalsContact O-N 3.08Å; Q10-E14 WeakPolarHBondContact O-CG 3.41Å; Q10-E14 PolarHBondContact O-N 2.93Å
11M97Very high87.5Confident32 Ų3266.3 Ų66.316%0.15832%0.316CS..Hα-helixtrans-60.9-38.2179.1-68179.671.100112V7 E14 L15 I111 S112 L115V7-M11 HydrophobicContact CG1-CG 4.35Å; V7-M11 HydrophobicContact CG1-SD 3.71Å; V7-M11 WeakPolarHBondContact O-CB 3.5Å; V7-M11 WeakPolarHBondContact O-CG 3.29Å; V7-M11 PolarHBondContact O-N 3.17Å; M11-E14 PolarHBondContact O-N 3.1Å; M11-L15 WeakPolarHBondContact O-CG 3.15Å; M11-L15 PolarHBondContact O-N 3.3Å; M11-I111 HydrophobicContact CE-CG2 4.39Å; M11-I111 HydrophobicContact SD-CB 4.28Å; M11-I111 HydrophobicContact SD-CG2 3.75Å; M11-S112 VanDerWaalsContact CE-CB 3.5Å; M11-L115 HydrophobicContact CB-CD1 3.65Å
12F97.9Very high89.3Confident0 Ų075.6 Ų75.60%035%0.349CS..Hα-helixtrans-65.1-41.5175.9176-107.4000111.9W8 K9 Q10 E14 M16 W25 L27 V84 L115 L118 V119 I122W8-F12 WeakPolarHBondContact O-CB 3.21Å; W8-F12 PolarHBondContact O-N 2.74Å; W8-F12 VanDerWaalsContact O-N 3.11Å; K9-F12 PolarHBondContact O-N 3.1Å; Q10-F12 VanDerWaalsContact C-N 3.28Å; Q10-F12 PolarHBondContact O-N 2.82Å; F12-E14 VanDerWaalsContact C-N 3.34Å; F12-M16 HydrophobicContact CD1-CG 4.46Å; F12-M16 HydrophobicContact CD2-CG 4.13Å; F12-M16 HydrophobicContact CE1-CG 4Å; F12-M16 HydrophobicContact CE2-CG 3.61Å; F12-M16 HydrophobicContact CE2-SD 4.11Å; F12-M16 HydrophobicContact CZ-CG 3.54Å; F12-M16 HydrophobicContact CZ-SD 4.16Å; F12-M16 WeakPolarHBondContact O-CB 3.28Å; F12-M16 WeakPolarHBondContact O-CG 3.38Å; F12-M16 PolarHBondContact O-N 3.35Å; F12-W25 HydrophobicContact CE1-CB 3.83Å; F12-W25 HydrophobicContact CZ-CB 4.02Å; F12-W25 HydrophobicContact CZ-CE3 4.15Å; F12-L27 HydrophobicContact CB-CB 4.43Å; F12-L27 HydrophobicContact CB-CD1 4.01Å; F12-L27 HydrophobicContact CD1-CB 3.46Å; F12-L27 VanDerWaalsContact CD1-CB 3.46Å; F12-L27 HydrophobicContact CD1-CD1 4.14Å; F12-L27 HydrophobicContact CD1-CG 4.46Å; F12-L27 HydrophobicContact CD2-CD1 4.19Å; F12-L27 HydrophobicContact CE1-CB 3.86Å; F12-L27 HydrophobicContact CG-CB 4.03Å; F12-L27 HydrophobicContact CG-CD1 3.83Å; F12-V84 HydrophobicContact CE1-CG2 4.23Å; F12-V84 HydrophobicContact CE2-CG2 4.33Å; F12-V84 HydrophobicContact CZ-CG2 3.66Å; F12-L115 HydrophobicContact CB-CD1 4.08Å; F12-L115 HydrophobicContact CB-CD2 3.98Å; F12-L115 HydrophobicContact CD2-CD2 4.11Å; F12-L115 HydrophobicContact CG-CD2 4.42Å; F12-L118 HydrophobicContact CD2-CD2 3.89Å; F12-L118 HydrophobicContact CE2-CD2 3.7Å; F12-L118 HydrophobicContact CE2-CG 4.24Å; F12-V119 HydrophobicContact CD2-CG2 4.22Å; F12-V119 HydrophobicContact CE2-CG2 4.1Å; F12-I122 HydrophobicContact CE2-CD1 3.71Å; F12-I122 HydrophobicContact CZ-CD1 3.78Å
13Q97.2Very high91.3Very high59 Ų5971.7 Ų71.728%0.27632%0.322SS..Hα-helixtrans-62.9-40175.7-71-54.6-62.500112.2K9 Q10 R17 W25K9-Q13 VanDerWaalsContact O-CG 3.31Å; K9-Q13 WeakPolarHBondContact O-CG 3.28Å; K9-Q13 PolarHBondContact O-N 2.87Å; Q10-Q13 WeakPolarHBondContact O-CB 3.49Å; Q10-Q13 PolarHBondContact O-N 2.62Å; Q10-Q13 VanDerWaalsContact O-N 3.08Å; Q13-R17 WeakPolarHBondContact O-CB 3.26Å; Q13-R17 VanDerWaalsContact O-CG 3.29Å; Q13-R17 WeakPolarHBondContact O-CG 3.29Å; Q13-R17 PolarHBondContact O-N 2.99Å; Q13-R17 PolarHBondContact O-NE 3.4Å; Q13-W25 PolarHBondContact NE2-O 3.34Å; Q13-W25 PolarHBondContact OE1-O 2.85Å; Q13-W25 VanDerWaalsContact OE1-O 3.13Å
14E96.8Very high93.1Very high92 Ų9268.3 Ų68.343%0.4331%0.309SS..Hα-helixtrans-61.9-55176.1-73.1164.1-174.400111.2Q10 M11 F12 M16 R17 E18Q10-E14 WeakPolarHBondContact O-CG 3.41Å; Q10-E14 PolarHBondContact O-N 2.93Å; M11-E14 PolarHBondContact O-N 3.1Å; F12-E14 VanDerWaalsContact C-N 3.34Å; E14-M16 VanDerWaalsContact C-N 3.29Å; E14-M16 PolarHBondContact O-N 3.2Å; E14-R17 VanDerWaalsContact CG-NH2 3.27Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 VanDerWaalsContact O-N 3.07Å; E14-E18 WeakPolarHBondContact O-CG 3.26Å; E14-E18 PolarHBondContact O-N 2.89Å
15L96.2Very high94.4Very high23 Ų2366.2 Ų66.212%0.1230%0.298CS..Hα-helixtrans-59.2-39.1179.5-67.4169.6000112.6M11 E18 V19 L115 K116 V119M11-L15 WeakPolarHBondContact O-CG 3.15Å; M11-L15 PolarHBondContact O-N 3.3Å; L15-E18 PolarHBondContact O-N 3.18Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 2.98Å; L15-L115 HydrophobicContact CD1-CB 3.7Å; L15-K116 HydrophobicContact CD1-CG 4Å; L15-K116 HydrophobicContact CD2-CG 4.03Å; L15-V119 HydrophobicContact CB-CG2 3.92Å
16M95.6Very high95Very high2 Ų267.4 Ų67.41%0.0131%0.305CS..Hα-helixtrans-69.4-36.7177-78.5-58.8-35.600112.8F12 E14 E18 V19 K20 W25 V119 I122 M123F12-M16 HydrophobicContact CD1-CG 4.46Å; F12-M16 HydrophobicContact CD2-CG 4.13Å; F12-M16 HydrophobicContact CE1-CG 4Å; F12-M16 HydrophobicContact CE2-CG 3.61Å; F12-M16 HydrophobicContact CE2-SD 4.11Å; F12-M16 HydrophobicContact CZ-CG 3.54Å; F12-M16 HydrophobicContact CZ-SD 4.16Å; F12-M16 WeakPolarHBondContact O-CB 3.28Å; F12-M16 WeakPolarHBondContact O-CG 3.38Å; F12-M16 PolarHBondContact O-N 3.35Å; E14-M16 VanDerWaalsContact C-N 3.29Å; E14-M16 PolarHBondContact O-N 3.2Å; M16-E18 VanDerWaalsContact C-N 3.32Å; M16-V19 PolarHBondContact O-N 2.85Å; M16-K20 HydrophobicContact CE-CB 4.31Å; M16-K20 HydrophobicContact CE-CG 4.46Å; M16-K20 CarbonylContact O-C 3.58Å; M16-K20 PolarHBondContact O-N 3.13Å; M16-W25 HydrophobicContact CB-CB 4.21Å; M16-W25 HydrophobicContact CE-CB 4.42Å; M16-W25 HydrophobicContact CE-CD2 4.17Å; M16-W25 HydrophobicContact CE-CG 3.69Å; M16-W25 HydrophobicContact CG-CB 3.87Å; M16-W25 HydrophobicContact CG-CG 4.1Å; M16-W25 HydrophobicContact SD-CD2 4.41Å; M16-W25 HydrophobicContact SD-CG 4.13Å; M16-V119 HydrophobicContact CG-CG2 4.19Å; M16-V119 HydrophobicContact SD-CB 4.41Å; M16-V119 HydrophobicContact SD-CG1 4.06Å; M16-V119 HydrophobicContact SD-CG2 3.81Å; M16-I122 HydrophobicContact SD-CD1 4.02Å; M16-I122 HydrophobicContact SD-CG2 4.49Å; M16-M123 HydrophobicContact CE-CE 3.62Å; M16-M123 HydrophobicContact SD-CE 4.21Å
17R94.6Very high95.3Very high144 Ų14463.5 Ų63.554%0.54329%0.287SS..Hα-helixtrans-65.6-36.5175.9-81.1-177.1-65.8168.10.4111.9Q13 E14 P21Q13-R17 WeakPolarHBondContact O-CB 3.26Å; Q13-R17 VanDerWaalsContact O-CG 3.29Å; Q13-R17 WeakPolarHBondContact O-CG 3.29Å; Q13-R17 PolarHBondContact O-N 2.99Å; Q13-R17 PolarHBondContact O-NE 3.4Å; E14-R17 VanDerWaalsContact CG-NH2 3.27Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 VanDerWaalsContact O-N 3.07Å; R17-P21 VanDerWaalsContact O-CA 3.29Å; R17-P21 WeakPolarHBondContact O-CA 2.91Å; R17-P21 WeakPolarHBondContact O-CD 3.03Å; R17-P21 VanDerWaalsContact O-CG 3.26Å; R17-P21 WeakPolarHBondContact O-CG 3.33Å
18E91.7Very high95.4Very high131 Ų13169.3 Ų69.361%0.61231%0.305SS*.Hα-helixtrans-61.8-44.3174.9-70.3173.7-174.100111.7E14 L15 M16E14-E18 WeakPolarHBondContact O-CG 3.26Å; E14-E18 PolarHBondContact O-N 2.89Å; L15-E18 PolarHBondContact O-N 3.18Å; M16-E18 VanDerWaalsContact C-N 3.32Å
19V90.3Very high95.4Very high23 Ų2371.7 Ų71.714%0.13932%0.32CS..Hα-helixtrans-86-33.5-173.8-176.70000112.8L15 M16 V119 M123 Y183L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 2.98Å; M16-V19 PolarHBondContact O-N 2.85Å; V19-V119 HydrophobicContact CB-CG1 4.43Å; V19-V119 HydrophobicContact CG2-CG1 3.97Å; V19-M123 HydrophobicContact CG1-CE 3.95Å; V19-M123 HydrophobicContact CG1-CG 3.83Å; V19-M123 HydrophobicContact CG1-SD 3.5Å; V19-M123 VanDerWaalsContact CG1-SD 3.5Å; V19-Y183 HydrophobicContact CG1-CE1 4.32Å; V19-Y183 HydrophobicContact CG2-CE1 4.03Å; V19-Y183 HydrophobicContact CG2-CE2 4.19Å
20K92.6Very high95.3Very high31 Ų3170.3 Ų70.314%0.13532%0.317CS..  trans-142.477.3-179.9-65-63.2175-163.60111.4M16 W22 H23 M123 Y127M16-K20 HydrophobicContact CE-CB 4.31Å; M16-K20 HydrophobicContact CE-CG 4.46Å; M16-K20 CarbonylContact O-C 3.58Å; M16-K20 PolarHBondContact O-N 3.13Å; K20-W22 PolarHBondContact O-N 2.74Å; K20-W22 VanDerWaalsContact O-N 3.11Å; K20-H23 HydrophobicContact CB-CB 3.89Å; K20-H23 PolarHBondContact O-N 2.85Å; K20-M123 HydrophobicContact CG-CE 3.99Å; K20-M123 HydrophobicContact CG-SD 4.14Å; K20-Y127 HydrophobicContact CG-CE2 4.45Å
21P92.2Very high95.1Very high83 Ų8371.7 Ų71.754%0.53932%0.321SS..THydrogen-bonded Turntrans-55.6-34.5-175.3-23.929.9000114.4R17R17-P21 VanDerWaalsContact O-CA 3.29Å; R17-P21 WeakPolarHBondContact O-CA 2.91Å; R17-P21 WeakPolarHBondContact O-CD 3.03Å; R17-P21 VanDerWaalsContact O-CG 3.26Å; R17-P21 WeakPolarHBondContact O-CG 3.33Å
22W92.7Very high94.9Very high234 Ų23472.8 Ų72.889%0.88634%0.341SS*.THydrogen-bonded Turntrans-88.7-5.9-175-44.9111.9000113.8K20K20-W22 PolarHBondContact O-N 2.74Å; K20-W22 VanDerWaalsContact O-N 3.11Å
23H94.6Very high94.8Very high48 Ų4873.2 Ų73.222%0.22234%0.343CS..SBendtrans-106.6133-178-61.6168.8000110.6K20 W75 Y127K20-H23 HydrophobicContact CB-CB 3.89Å; K20-H23 PolarHBondContact O-N 2.85Å; H23-W75 HydrophobicContact CB-CH2 3.89Å; H23-W75 HydrophobicContact CB-CZ3 4.1Å; H23-W75 AromaticContact CD2-CH2 3.95Å; H23-W75 AromaticContact CE1-CH2 3.9Å; H23-W75 AromaticContact CG-CH2 3.54Å; H23-W75 AromaticContact ND1-CH2 3.52Å; H23-Y127 AromaticContact CE1-CE1 3.51Å; H23-Y127 AromaticContact ND1-CE1 3.34Å; H23-Y127 VanDerWaalsContact ND1-CE1 3.34Å; H23-Y127 WeakPolarHBondContact ND1-CE1 3.38Å; H23-Y127 AromaticContact ND1-CZ 3.39Å; H23-Y127 PolarHBondContact ND1-OH 2.87Å
24R95.8Very high94.6Very high158 Ų15873.9 Ų73.960%0.59635%0.348SS*.EExtended strand (participates in β ladder)trans-95.7112.3-179.2-175.4174.6178.8-179.40.1110.7S80 R81 G82R24-S80 PolarHBondContact N-O 2.86Å; R24-R81 HydrophobicContact CB-CG 4.12Å; R24-R81 CarbonylContact O-C 3.57Å; R24-R81 VanDerWaalsContact O-CA 3.28Å; R24-R81 WeakPolarHBondContact O-CA 3.39Å; R24-G82 PolarHBondContact O-N 3.34Å
25W97.9Very high94.4Very high1 Ų169.7 Ų69.70%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-103.7153.7173.3-80.777.8000111.3F12 Q13 M16 W75 G82 V84 I122 C126 Y127F12-W25 HydrophobicContact CE1-CB 3.83Å; F12-W25 HydrophobicContact CZ-CB 4.02Å; F12-W25 HydrophobicContact CZ-CE3 4.15Å; Q13-W25 PolarHBondContact NE2-O 3.34Å; Q13-W25 PolarHBondContact OE1-O 2.85Å; Q13-W25 VanDerWaalsContact OE1-O 3.13Å; M16-W25 HydrophobicContact CB-CB 4.21Å; M16-W25 HydrophobicContact CE-CB 4.42Å; M16-W25 HydrophobicContact CE-CD2 4.17Å; M16-W25 HydrophobicContact CE-CG 3.69Å; M16-W25 HydrophobicContact CG-CB 3.87Å; M16-W25 HydrophobicContact CG-CG 4.1Å; M16-W25 HydrophobicContact SD-CD2 4.41Å; M16-W25 HydrophobicContact SD-CG 4.13Å; W25-W75 AromaticContact CE2-CE3 3.82Å; W25-W75 HydrophobicContact CH2-CB 4.15Å; W25-W75 HydrophobicContact CH2-CE3 4.36Å; W25-W75 HydrophobicContact CZ2-CB 4.18Å; W25-W75 HydrophobicContact CZ2-CD2 4.14Å; W25-W75 AromaticContact CZ2-CE3 3.48Å; W25-W75 HydrophobicContact CZ2-CE3 3.48Å; W25-W75 VanDerWaalsContact CZ2-CE3 3.48Å; W25-W75 HydrophobicContact CZ2-CG 4.44Å; W25-W75 HydrophobicContact CZ2-CZ3 4.24Å; W25-W75 AromaticContact NE1-CE3 3.85Å; W25-W75 AromaticContact NE1-CZ3 3.69Å; W25-G82 CarbonylContact C-O 3.56Å; W25-G82 WeakPolarHBondContact CA-O 3.41Å; W25-V84 HydrophobicContact CE3-CG2 3.83Å; W25-V84 HydrophobicContact CZ3-CG2 3.87Å; W25-I122 HydrophobicContact CD2-CD1 4.42Å; W25-I122 HydrophobicContact CD2-CG2 4.41Å; W25-I122 HydrophobicContact CE3-CD1 3.91Å; W25-I122 HydrophobicContact CH2-CD1 4.37Å; W25-I122 HydrophobicContact CH2-CG1 4.31Å; W25-I122 HydrophobicContact CH2-CG2 3.5Å; W25-I122 VanDerWaalsContact CH2-CG2 3.5Å; W25-I122 HydrophobicContact CZ2-CG2 3.32Å; W25-I122 HydrophobicContact CZ3-CD1 3.88Å; W25-I122 HydrophobicContact CZ3-CG1 4.21Å; W25-I122 HydrophobicContact CZ3-CG2 4.1Å; W25-C126 HydrophobicContact CH2-CB 4.23Å; W25-C126 HydrophobicContact CZ2-CB 4.32Å; W25-Y127 AromaticContact CZ2-CE2 3.84Å; W25-Y127 HydrophobicContact CZ2-CE2 3.84Å; W25-Y127 AromaticContact NE1-CE2 3.93Å; W25-Y127 AromaticContact NE1-CZ 3.83Å; W25-Y127 PolarHBondContact NE1-OH 3.3Å
26T97.5Very high94.1Very high37 Ų3774 Ų7423%0.22735%0.352CS..EExtended strand (participates in β ladder)trans-135.8145.7173.155.60000110.1G82 Q83 V84T26-G82 PolarHBondContact N-O 3.42Å; T26-G82 PolarHBondContact OG1-O 3.04Å; T26-Q83 CarbonylContact O-C 3.51Å; T26-V84 PolarHBondContact O-N 3.37Å
27L97.9Very high93.9Very high7 Ų778.5 Ų78.54%0.03738%0.379CS..EExtended strand (participates in β ladder)trans-120.8130.3173.6-176.7154.5000109W8 K9 F12 V84 M86 L115 L118W8-L27 HydrophobicContact CB-CD2 4.47Å; K9-L27 HydrophobicContact CG-CD2 4.4Å; F12-L27 HydrophobicContact CB-CB 4.43Å; F12-L27 HydrophobicContact CB-CD1 4.01Å; F12-L27 HydrophobicContact CD1-CB 3.46Å; F12-L27 VanDerWaalsContact CD1-CB 3.46Å; F12-L27 HydrophobicContact CD1-CD1 4.14Å; F12-L27 HydrophobicContact CD1-CG 4.46Å; F12-L27 HydrophobicContact CD2-CD1 4.19Å; F12-L27 HydrophobicContact CE1-CB 3.86Å; F12-L27 HydrophobicContact CG-CB 4.03Å; F12-L27 HydrophobicContact CG-CD1 3.83Å; L27-V84 CarbonylContact C-O 3.56Å; L27-V84 WeakPolarHBondContact CA-O 3.29Å; L27-V84 HydrophobicContact CB-CB 4.35Å; L27-V84 HydrophobicContact CD1-CG1 4.38Å; L27-V84 HydrophobicContact CG-CB 4.38Å; L27-V84 HydrophobicContact CG-CG1 4.3Å; L27-M86 HydrophobicContact CD1-SD 4.49Å; L27-M86 HydrophobicContact CD2-CB 4.37Å; L27-M86 HydrophobicContact CD2-CE 4.12Å; L27-M86 HydrophobicContact CD2-SD 4.31Å; L27-L115 HydrophobicContact CD1-CD2 3.85Å; L27-L118 HydrophobicContact CD1-CD2 4.13Å
28R96.6Very high93.7Very high157 Ų15775 Ų7559%0.59237%0.371SS*.EExtended strand (participates in β ladder)trans-134.5130.8-179.8-63.7-174.5-179.7-177.3-0.7110.6V84 K85 M86R28-V84 PolarHBondContact N-O 2.81Å; R28-K85 CarbonylContact O-C 3.49Å; R28-K85 VanDerWaalsContact O-CA 3.3Å; R28-K85 WeakPolarHBondContact O-CA 3.3Å; R28-M86 PolarHBondContact O-N 3.2Å
29P95.4Very high93.7Very high50 Ų5075.4 Ų75.433%0.32537%0.371SS..EExtended strand (participates in β ladder)trans-63.2144.4168.5-2032.2000111.5T5 M86T5-P29 HydrophobicContact CG2-CG 3.5Å; P29-M86 CarbonylContact C-O 3.56Å; P29-M86 VanDerWaalsContact CA-O 3.27Å; P29-M86 WeakPolarHBondContact CA-O 3.44Å
30D95.4Very high93.7Very high43 Ų4380.3 Ų80.323%0.2340%0.403CS..  trans-147.3100.6177.2-170.6-20.9000108.8G32 L33 K85 M86 R87D30-G32 PolarHBondContact O-N 2.85Å; D30-G32 PolarHBondContact OD1-N 3.14Å; D30-G32 VanDerWaalsContact OD1-N 3.13Å; D30-L33 HydrophobicContact CB-CB 4.26Å; D30-L33 HydrophobicContact CB-CD1 4.48Å; D30-L33 WeakPolarHBondContact O-CB 3.5Å; D30-L33 PolarHBondContact O-N 2.85Å; D30-K85 HydrophobicContact CB-CB 4.29Å; D30-K85 IonicContact OD2-NZ 2.71Å; D30-K85 PolarHBondContact OD2-NZ 3.43Å; D30-M86 PolarHBondContact N-O 3.04Å; D30-R87 WeakPolarHBondContact O-CB 3.39Å
31K91.8Very high93.6Very high150 Ų15081.5 Ų81.565%0.65242%0.424SS*.THydrogen-bonded Turntrans-66.5-22.3-178.6-70.3-167.8174.3-164.90113.1L33 R87K31-L33 VanDerWaalsContact C-N 3.31Å; K31-R87 WeakPolarHBondContact O-CD 3.41Å; K31-R87 VanDerWaalsContact O-CZ 3.27Å; K31-R87 PolarHBondContact O-NE 3.1Å
32G92.9Very high93.7Very high56 Ų5679.5 Ų79.558%0.57741%0.406SS*.THydrogen-bonded Turntrans-89.45.7179.400000113.6D30 L34D30-G32 PolarHBondContact O-N 2.85Å; D30-G32 PolarHBondContact OD1-N 3.14Å; D30-G32 VanDerWaalsContact OD1-N 3.13Å; G32-L34 PolarHBondContact O-N 3.38Å
33L94.7Very high93.8Very high9 Ų970.6 Ų70.65%0.04738%0.375CS..  trans-67.4123.8-179.3-153.667.5000110.1D30 K31 L70 H72 K85 R87D30-L33 HydrophobicContact CB-CB 4.26Å; D30-L33 HydrophobicContact CB-CD1 4.48Å; D30-L33 WeakPolarHBondContact O-CB 3.5Å; D30-L33 PolarHBondContact O-N 2.85Å; K31-L33 VanDerWaalsContact C-N 3.31Å; L33-L70 HydrophobicContact CB-CD2 4.11Å; L33-L70 HydrophobicContact CD2-CD2 3.88Å; L33-L70 HydrophobicContact CD2-CG 3.91Å; L33-L70 HydrophobicContact CG-CD2 3.76Å; L33-L70 HydrophobicContact CG-CG 4.33Å; L33-H72 HydrophobicContact CD1-CB 4.17Å; L33-H72 VanDerWaalsContact CD1-ND1 3.28Å; L33-H72 WeakPolarHBondContact CD1-ND1 3.25Å; L33-H72 HydrophobicContact CD2-CB 4.24Å; L33-K85 HydrophobicContact CD1-CB 3.9Å; L33-K85 HydrophobicContact CD1-CD 3.97Å; L33-K85 HydrophobicContact CD2-CB 3.97Å; L33-K85 WeakPolarHBondContact CD2-O 3.5Å; L33-R87 HydrophobicContact CB-CB 3.76Å; L33-R87 HydrophobicContact CD2-CB 4.37Å; L33-R87 WeakPolarHBondContact O-CD 3.36Å; L33-R87 PolarHBondContact O-NH1 3.32Å
34L94Very high93.8Very high72 Ų7270.4 Ų70.438%0.37737%0.374SS..  trans-109.9135.5179-67.6173.1000111G32 V37 H72 F161G32-L34 PolarHBondContact O-N 3.38Å; L34-V37 HydrophobicContact CB-CB 4.13Å; L34-V37 HydrophobicContact CB-CG2 3.92Å; L34-V37 HydrophobicContact CD1-CG2 4.5Å; L34-V37 PolarHBondContact O-N 2.87Å; L34-H72 PolarHBondContact O-CE1 3.36Å; L34-H72 PolarHBondContact O-NE2 2.87Å; L34-F161 HydrophobicContact CD2-CE2 3.99Å; L34-F161 HydrophobicContact CD2-CZ 4.25Å
35P92.1Very high93.7Very high4 Ų463.4 Ų63.43%0.02635%0.348CS..THydrogen-bonded Turntrans-53.5142.2170.4-29.839000111.9V37 L70 F89 F161P35-V37 PolarHBondContact O-N 3.34Å; P35-L70 HydrophobicContact CG-CD2 3.94Å; P35-F89 HydrophobicContact CG-CZ 4.11Å; P35-F161 HydrophobicContact CB-CD1 3.79Å; P35-F161 HydrophobicContact CB-CE1 4.02Å; P35-F161 HydrophobicContact CB-CG 4.17Å; P35-F161 HydrophobicContact CG-CB 3.99Å; P35-F161 HydrophobicContact CG-CD1 3.7Å; P35-F161 HydrophobicContact CG-CD2 3.77Å; P35-F161 HydrophobicContact CG-CE1 4.08Å; P35-F161 HydrophobicContact CG-CE2 4.13Å; P35-F161 HydrophobicContact CG-CG 3.54Å; P35-F161 HydrophobicContact CG-CZ 4.29Å
36N89.4Confident93.5Very high114 Ų11465.5 Ų65.561%0.6136%0.357SS*.THydrogen-bonded Turntrans62.44.3175.5-49-53.9000116.2Q44N36-Q44 PolarHBondContact OD1-NE2 2.94Å
37V91.8Very high93.2Very high97 Ų9764 Ų6459%0.58835%0.348SS*.  trans-103.585.7174.4-174.40000109.2L34 P35 H72L34-V37 HydrophobicContact CB-CB 4.13Å; L34-V37 HydrophobicContact CB-CG2 3.92Å; L34-V37 HydrophobicContact CD1-CG2 4.5Å; L34-V37 PolarHBondContact O-N 2.87Å; P35-V37 PolarHBondContact O-N 3.34Å; V37-H72 PolarHBondContact O-CE1 2.87Å; V37-H72 VanDerWaalsContact O-CE1 3.3Å
38L90.6Very high92.9Very high71 Ų7165.6 Ų65.637%0.37235%0.354SS..  trans-104.1137.3-173-67.9170.9000112.7W42 Q44 H72L38-W42 HydrophobicContact CD2-CB 4Å; L38-Q44 HydrophobicContact CD1-CB 4.3Å; L38-Q44 HydrophobicContact CD1-CG 4.18Å; L38-Q44 HydrophobicContact CD2-CB 4.16Å; L38-H72 HydrophobicContact CD2-CB 4.39Å
39K90.5Very high92.6Very high138 Ų13858.3 Ų58.360%0.633%0.326SS*.  trans-73.6154.3165.2-64.2-175.6-178.3-1670109.6G41 W42K39-G41 PolarHBondContact O-N 2.93Å; K39-W42 VanDerWaalsContact CB-CD1 3.48Å; K39-W42 HydrophobicContact CB-CG 4.17Å; K39-W42 WeakPolarHBondContact O-CB 3.18Å; K39-W42 PolarHBondContact O-N 3.35Å
40P91.6Very high92.3Very high126 Ų12659.6 Ų59.682%0.81833%0.327SS*.THydrogen-bonded Turntrans-51134.8175.1-27.935.5000112.6W42P40-W42 VanDerWaalsContact C-N 3.25Å; P40-W42 PolarHBondContact O-N 2.99Å
41G90.2Very high92.2Very high57 Ų5757.6 Ų57.659%0.58832%0.317SS*.THydrogen-bonded Turntrans78.5-3.8-17800000115.6K39 H74K39-G41 PolarHBondContact O-N 2.93Å; G41-H74 PolarHBondContact O-CD2 2.75Å
42W95.1Very high92.3Very high41 Ų4156.6 Ų56.616%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-89.1145.4174.7-68.168000111.5L38 K39 P40 H72 M73 H74 Q83 K85L38-W42 HydrophobicContact CD2-CB 4Å; K39-W42 VanDerWaalsContact CB-CD1 3.48Å; K39-W42 HydrophobicContact CB-CG 4.17Å; K39-W42 WeakPolarHBondContact O-CB 3.18Å; K39-W42 PolarHBondContact O-N 3.35Å; P40-W42 VanDerWaalsContact C-N 3.25Å; P40-W42 PolarHBondContact O-N 2.99Å; W42-H72 HydrophobicContact CE3-CB 3.65Å; W42-H72 HydrophobicContact CZ3-CB 4.08Å; W42-H72 WeakPolarHBondContact CZ3-O 3.34Å; W42-M73 CarbonylContact C-O 3.53Å; W42-M73 WeakPolarHBondContact CA-O 3.44Å; W42-H74 AromaticContact CD1-CD2 3.8Å; W42-H74 HydrophobicContact CD2-CB 3.54Å; W42-H74 HydrophobicContact CE3-CB 3.71Å; W42-H74 HydrophobicContact CG-CB 4.02Å; W42-H74 HydrophobicContact CH2-CB 4.08Å; W42-H74 HydrophobicContact CZ2-CB 3.88Å; W42-H74 HydrophobicContact CZ3-CB 3.99Å; W42-H74 AromaticContact NE1-CD2 3.76Å; W42-Q83 HydrophobicContact CH2-CB 4.05Å; W42-K85 HydrophobicContact CH2-CD 3.87Å; W42-K85 HydrophobicContact CH2-CG 3.95Å; W42-K85 HydrophobicContact CZ3-CB 4.41Å; W42-K85 HydrophobicContact CZ3-CD 3.97Å; W42-K85 HydrophobicContact CZ3-CG 3.94Å
43M94.3Very high92.4Very high47 Ų4754 Ų5423%0.23228%0.281CS..EExtended strand (participates in β ladder)trans-118.2149.6175.3-67.8162.3-82.500109.2H72 M73 K125 C126M43-H72 CarbonylContact O-C 3.55Å; M43-H72 WeakPolarHBondContact O-CA 3.39Å; M43-M73 HydrophobicContact CB-CE 4.14Å; M43-M73 PolarHBondContact N-O 3.36Å; M43-M73 PolarHBondContact O-N 2.93Å; M43-K125 HydrophobicContact CB-CD 4.49Å; M43-K125 VanDerWaalsContact SD-C 3.59Å; M43-K125 HydrophobicContact SD-CB 3.61Å; M43-C126 HydrophobicContact CE-CB 3.99Å; M43-C126 WeakPolarHBondContact CE-SG 3.23Å
44Q94.9Very high92.5Very high43 Ų4358 Ų5820%0.20130%0.3CS..EExtended strand (participates in β ladder)trans-109.1154.3174.265.5176.9-1000114N36 L38 F71 K125N36-Q44 PolarHBondContact OD1-NE2 2.94Å; L38-Q44 HydrophobicContact CD1-CB 4.3Å; L38-Q44 HydrophobicContact CD1-CG 4.18Å; L38-Q44 HydrophobicContact CD2-CB 4.16Å; Q44-F71 CarbonylContact C-O 3.56Å; Q44-F71 VanDerWaalsContact CA-O 3.26Å; Q44-F71 WeakPolarHBondContact CA-O 3.3Å; Q44-K125 PolarHBondContact O-NZ 3.06Å
45Y94.1Very high92.6Very high11 Ų1154.7 Ų54.74%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-141.1136.6165.2172.3-126.9000109.2Q47 F71 N117 L118 R121Y45-Q47 HydrophobicContact CE1-CB 4.18Å; Y45-Q47 PolarHBondContact OH-OE1 2.93Å; Y45-F71 AromaticContact CD1-CD2 3.68Å; Y45-F71 HydrophobicContact CD1-CD2 3.68Å; Y45-F71 HydrophobicContact CD1-CE2 4.25Å; Y45-F71 HydrophobicContact CD1-CG 4.5Å; Y45-F71 HydrophobicContact CE1-CD2 4.24Å; Y45-F71 HydrophobicContact CE1-CE2 4.38Å; Y45-F71 PolarHBondContact N-O 2.82Å; Y45-F71 PolarHBondContact O-N 2.72Å; Y45-N117 HydrophobicContact CE1-CB 4.33Å; Y45-N117 WeakPolarHBondContact OH-CB 3.49Å; Y45-L118 HydrophobicContact CD1-CD1 4.16Å; Y45-R121 HydrophobicContact CD1-CB 4.24Å; Y45-R121 HydrophobicContact CD1-CG 3.87Å; Y45-R121 HydrophobicContact CD2-CB 4.46Å; Y45-R121 HydrophobicContact CD2-CG 3.61Å; Y45-R121 HydrophobicContact CE1-CG 3.99Å; Y45-R121 HydrophobicContact CE2-CG 3.73Å; Y45-R121 VanDerWaalsContact CE2-NE 3.28Å; Y45-R121 HydrophobicContact CG-CB 4.11Å; Y45-R121 HydrophobicContact CG-CG 3.69Å
46Q92.9Very high92.7Very high45 Ų4558.3 Ų58.321%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-124.2142.9177.4-69.2176.228.800108.7L68 V69 L70Q46-L68 HydrophobicContact CB-CD1 4.06Å; Q46-L68 HydrophobicContact CG-CD1 4.42Å; Q46-V69 WeakPolarHBondContact CA-O 3.3Å; Q46-L70 HydrophobicContact CG-CD1 3.5Å
47Q91.3Very high93Very high5 Ų556.6 Ų56.62%0.02331%0.305CS..EExtended strand (participates in β ladder)trans-142.2143.1175.4-173.5171.7-10.200110Y45 V69 N117 D142Y45-Q47 HydrophobicContact CE1-CB 4.18Å; Y45-Q47 PolarHBondContact OH-OE1 2.93Å; Q47-V69 PolarHBondContact N-O 2.88Å; Q47-V69 PolarHBondContact O-N 2.89Å; Q47-N117 PolarHBondContact NE2-ND2 3.38Å; Q47-N117 PolarHBondContact OE1-ND2 2.71Å; Q47-D142 PolarHBondContact NE2-OD1 2.61Å
48W90.6Very high93.2Very high42 Ų4254.3 Ų54.316%0.15929%0.293CS..EExtended strand (participates in β ladder)trans-100138.3171.1-68.5-97.9000109V67 L68 D142 A163 R164W48-V67 CarbonylContact C-O 3.54Å; W48-V67 WeakPolarHBondContact CA-O 3.39Å; W48-L68 HydrophobicContact CD2-CD1 4.34Å; W48-L68 HydrophobicContact CZ2-CD1 4.22Å; W48-D142 VanDerWaalsContact O-CG 3.25Å; W48-A163 WeakPolarHBondContact CZ2-O 3.34Å; W48-R164 HydrophobicContact CZ2-CB 4.45Å
49T90.2Very high93.4Very high3 Ų354.9 Ų54.92%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-144.3164.8-176.6-175.30000111.5A65 V67 V69 F106 N110 I114T49-A65 CarbonylContact O-C 3.55Å; T49-V67 HydrophobicContact CG2-CB 4.27Å; T49-V67 PolarHBondContact N-O 3.33Å; T49-V67 WeakPolarHBondContact O-CB 3.31Å; T49-V67 PolarHBondContact O-N 3.37Å; T49-V69 HydrophobicContact CG2-CG2 3.8Å; T49-F106 HydrophobicContact CG2-CD1 4.49Å; T49-F106 HydrophobicContact CG2-CE1 3.5Å; T49-F106 HydrophobicContact CG2-CZ 4.11Å; T49-N110 PolarHBondContact OG1-ND2 3.4Å; T49-N110 PolarHBondContact OG1-OD1 3.47Å; T49-I114 HydrophobicContact CG2-CD1 3.7Å; T49-I114 HydrophobicContact CG2-CG1 4.44Å
50F90.6Very high93.6Very high78 Ų7854 Ų5434%0.34230%0.295SS..EExtended strand (participates in β ladder)trans-79.7139.6173179.4-90000110R52 A63 S64 F106 N110 L145F50-R52 HydrophobicContact CE1-CG 4Å; F50-R52 HydrophobicContact CZ-CG 4.4Å; F50-A63 HydrophobicContact CE1-CB 4.47Å; F50-A63 HydrophobicContact CE2-CB 3.68Å; F50-A63 HydrophobicContact CZ-CB 3.49Å; F50-A63 VanDerWaalsContact CZ-CB 3.49Å; F50-S64 CarbonylContact C-O 3.57Å; F50-S64 VanDerWaalsContact CA-O 3.26Å; F50-S64 WeakPolarHBondContact CA-O 3.47Å; F50-S64 WeakPolarHBondContact CD2-O 3.38Å; F50-F106 WeakPolarHBondContact O-CE1 3.47Å; F50-N110 PolarHBondContact O-ND2 2.91Å; F50-L145 HydrophobicContact CB-CD1 4.06Å; F50-L145 HydrophobicContact CB-CD2 4.4Å
51A92.9Very high93.8Very high1 Ų152.1 Ų52.11%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-147.6163.2166.900000111.2F53 A63 S64 V67 P104 F106A51-F53 HydrophobicContact CB-CE2 4.3Å; A51-A63 CarbonylContact O-C 3.58Å; A51-A63 WeakPolarHBondContact O-CA 3.27Å; A51-S64 PolarHBondContact N-O 3.11Å; A51-S64 PolarHBondContact O-N 2.97Å; A51-V67 HydrophobicContact CB-CB 4.39Å; A51-V67 HydrophobicContact CB-CG2 3.74Å; A51-P104 HydrophobicContact CB-CB 3.47Å; A51-P104 VanDerWaalsContact CB-CB 3.47Å; A51-F106 HydrophobicContact CB-CD1 3.96Å; A51-F106 HydrophobicContact CB-CE1 3.54Å; A51-F106 HydrophobicContact CB-CZ 3.95Å
52R94.4Very high94Very high128 Ų12851.4 Ų51.448%0.48326%0.258SS..EExtended strand (participates in β ladder)trans-102.7159.9169.2-58.5-173.870.184.1-1.2109.5F50 W62 A63 P104 E105F50-R52 HydrophobicContact CE1-CG 4Å; F50-R52 HydrophobicContact CZ-CG 4.4Å; R52-W62 CarbonylContact C-O 3.58Å; R52-W62 WeakPolarHBondContact CA-O 3.37Å; R52-A63 HydrophobicContact CG-CB 4.5Å; R52-P104 CarbonylContact O-C 3.57Å; R52-P104 WeakPolarHBondContact O-CA 3.27Å; R52-E105 HydrophobicContact CB-CB 4.48Å; R52-E105 PolarHBondContact N-O 2.64Å; R52-E105 PolarHBondContact O-N 2.99Å
53F94.9Very high93.9Very high1 Ų150.5 Ų50.50%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-140.3146.7177.9-63.2-96.6000108.6A51 N61 W62 V67 Q91 E102 P104A51-F53 HydrophobicContact CB-CE2 4.3Å; F53-N61 VanDerWaalsContact O-CA 3.26Å; F53-N61 WeakPolarHBondContact O-CA 3.05Å; F53-W62 HydrophobicContact CB-CD2 3.59Å; F53-W62 HydrophobicContact CB-CE3 3.86Å; F53-W62 HydrophobicContact CB-CG 4.27Å; F53-W62 HydrophobicContact CB-CH2 3.61Å; F53-W62 HydrophobicContact CB-CZ2 3.31Å; F53-W62 HydrophobicContact CB-CZ3 3.86Å; F53-W62 HydrophobicContact CD1-CZ2 4.02Å; F53-W62 AromaticContact CD2-CD1 3.91Å; F53-W62 AromaticContact CD2-CE2 3.9Å; F53-W62 HydrophobicContact CD2-CZ2 4.36Å; F53-W62 AromaticContact CD2-NE1 3.43Å; F53-W62 HydrophobicContact CG-CD2 4.35Å; F53-W62 AromaticContact CG-CE2 3.62Å; F53-W62 HydrophobicContact CG-CH2 4.4Å; F53-W62 AromaticContact CG-CZ2 3.67Å; F53-W62 HydrophobicContact CG-CZ2 3.67Å; F53-W62 AromaticContact CG-NE1 3.66Å; F53-W62 PolarHBondContact N-O 3.27Å; F53-W62 PolarHBondContact O-N 3.39Å; F53-V67 HydrophobicContact CE2-CG2 3.75Å; F53-V67 HydrophobicContact CZ-CG2 3.63Å; F53-Q91 HydrophobicContact CD1-CB 4.25Å; F53-Q91 HydrophobicContact CE1-CB 3.83Å; F53-Q91 HydrophobicContact CE1-CG 3.97Å; F53-Q91 HydrophobicContact CE2-CB 4.37Å; F53-Q91 HydrophobicContact CE2-CG 4.09Å; F53-Q91 HydrophobicContact CZ-CB 3.9Å; F53-Q91 HydrophobicContact CZ-CG 3.57Å; F53-E102 HydrophobicContact CD1-CB 4.32Å; F53-E102 WeakPolarHBondContact CD1-O 3.25Å; F53-E102 WeakPolarHBondContact CE1-O 3.17Å; F53-P104 HydrophobicContact CD1-CB 4.22Å; F53-P104 HydrophobicContact CE1-CB 3.6Å; F53-P104 HydrophobicContact CE1-CG 4.16Å; F53-P104 HydrophobicContact CE2-CB 4.36Å; F53-P104 HydrophobicContact CZ-CB 3.67Å; F53-P104 HydrophobicContact CZ-CG 4.39Å
54Q95.5Very high93.8Very high95 Ų9548.3 Ų48.344%0.44425%0.249SC..EExtended strand (participates in β ladder)trans-122128.2170.4-176.6170.636.400109.1S56 N61 E105Q54-S56 PolarHBondContact O-N 3.3Å; Q54-N61 WeakPolarHBondContact CB-OD1 3.01Å; Q54-N61 VanDerWaalsContact CG-OD1 3.32Å; Q54-N61 WeakPolarHBondContact CG-OD1 3.32Å; Q54-E105 WeakPolarHBondContact CB-OE1 3.49Å
55C96.2Very high93.4Very high2 Ų246.4 Ų46.41%0.01424%0.241CC..  trans-75.2123.6175.3-176.50000109.8S57 C58 S59 R60 W62 C93C55-S57 PolarHBondContact O-N 3.13Å; C55-S57 PolarHBondContact SG-N 3.03Å; C55-S57 VanDerWaalsContact SG-N 3.4Å; C55-C58 VanDerWaalsContact SG-SG 3.63Å; C55-S59 WeakPolarHBondContact O-CA 3.34Å; C55-S59 PolarHBondContact O-N 2.75Å; C55-R60 PolarHBondContact N-O 3.31Å; C55-W62 HydrophobicContact CB-CH2 4.46Å; C55-W62 HydrophobicContact CB-CZ3 3.84Å; C55-C93 HydrophobicContact CB-CB 3.95Å; C55-C93 VanDerWaalsContact SG-CB 3.6Å
56S95.3Very high93.2Very high79 Ų7947.8 Ų47.855%0.55225%0.247SC*.THydrogen-bonded Turntrans-63.1-28.5174.659.90000113.2Q54 E102Q54-S56 PolarHBondContact O-N 3.3Å; S56-E102 WeakPolarHBondContact CB-OE1 3.49Å; S56-E102 PolarHBondContact N-OE1 3.38Å; S56-E102 PolarHBondContact OG-OE1 3.34Å
57S95.4Very high93.1Very high78 Ų7845.7 Ų45.755%0.54524%0.238SC..THydrogen-bonded Turntrans-90.7-38.5-175.5-43.50000114.7C55C55-S57 PolarHBondContact O-N 3.13Å; C55-S57 PolarHBondContact SG-N 3.03Å; C55-S57 VanDerWaalsContact SG-N 3.4Å
58C95.7Very high93.3Very high50 Ų5045.5 Ų45.534%0.33824%0.237SC..THydrogen-bonded Turntrans-121.96.2-175.373.20000114.3C55 R60 C93C55-C58 VanDerWaalsContact SG-SG 3.63Å; C58-R60 PolarHBondContact O-N 3.23Å; C58-R60 VanDerWaalsContact SG-CB 3.57Å; C58-C93 VanDerWaalsContact SG-SG 3.66Å
59S95.4Very high93.5Very high82 Ų8243.5 Ų43.557%0.57323%0.229SC*.  trans58.37.7179.4-52.90000115.3C55 N61C55-S59 WeakPolarHBondContact O-CA 3.34Å; C55-S59 PolarHBondContact O-N 2.75Å; S59-N61 PolarHBondContact O-N 3.05Å
60R95.2Very high93.8Very high119 Ų11943.3 Ų43.345%0.44923%0.228SC..  trans-66.3134.3176.6-178.7-179.8177.5177.33.1109.5C55 C58C55-R60 PolarHBondContact N-O 3.31Å; C58-R60 PolarHBondContact O-N 3.23Å; C58-R60 VanDerWaalsContact SG-CB 3.57Å
61N95.4Very high94.1Very high88 Ų8839.6 Ų39.647%0.47121%0.212SC..EExtended strand (participates in β ladder)trans-98.5145.5171.2-59.7-62.6000110.9F53 Q54 S59F53-N61 VanDerWaalsContact O-CA 3.26Å; F53-N61 WeakPolarHBondContact O-CA 3.05Å; Q54-N61 WeakPolarHBondContact CB-OD1 3.01Å; Q54-N61 VanDerWaalsContact CG-OD1 3.32Å; Q54-N61 WeakPolarHBondContact CG-OD1 3.32Å; S59-N61 PolarHBondContact O-N 3.05Å
62W94.5Very high94.4Very high41 Ų4140 Ų4016%0.15521%0.213CC..EExtended strand (participates in β ladder)trans-144.9168.7166.869.7101.4000110.3R52 F53 C55 Q91 C93 E102R52-W62 CarbonylContact C-O 3.58Å; R52-W62 WeakPolarHBondContact CA-O 3.37Å; F53-W62 HydrophobicContact CB-CD2 3.59Å; F53-W62 HydrophobicContact CB-CE3 3.86Å; F53-W62 HydrophobicContact CB-CG 4.27Å; F53-W62 HydrophobicContact CB-CH2 3.61Å; F53-W62 HydrophobicContact CB-CZ2 3.31Å; F53-W62 HydrophobicContact CB-CZ3 3.86Å; F53-W62 HydrophobicContact CD1-CZ2 4.02Å; F53-W62 AromaticContact CD2-CD1 3.91Å; F53-W62 AromaticContact CD2-CE2 3.9Å; F53-W62 HydrophobicContact CD2-CZ2 4.36Å; F53-W62 AromaticContact CD2-NE1 3.43Å; F53-W62 HydrophobicContact CG-CD2 4.35Å; F53-W62 AromaticContact CG-CE2 3.62Å; F53-W62 HydrophobicContact CG-CH2 4.4Å; F53-W62 AromaticContact CG-CZ2 3.67Å; F53-W62 HydrophobicContact CG-CZ2 3.67Å; F53-W62 AromaticContact CG-NE1 3.66Å; F53-W62 PolarHBondContact N-O 3.27Å; F53-W62 PolarHBondContact O-N 3.39Å; C55-W62 HydrophobicContact CB-CH2 4.46Å; C55-W62 HydrophobicContact CB-CZ3 3.84Å; W62-Q91 HydrophobicContact CZ2-CB 4.15Å; W62-C93 HydrophobicContact CH2-CB 4.2Å; W62-C93 HydrophobicContact CZ3-CB 4.26Å; W62-E102 HydrophobicContact CH2-CB 4.05Å; W62-E102 HydrophobicContact CH2-CG 3.8Å
63A92.5Very high94.5Very high23 Ų2333.9 Ų33.919%0.1919%0.19CC..EExtended strand (participates in β ladder)trans-120.1152.117200000108.9F50 A51 R52F50-A63 HydrophobicContact CE1-CB 4.47Å; F50-A63 HydrophobicContact CE2-CB 3.68Å; F50-A63 HydrophobicContact CZ-CB 3.49Å; F50-A63 VanDerWaalsContact CZ-CB 3.49Å; A51-A63 CarbonylContact O-C 3.58Å; A51-A63 WeakPolarHBondContact O-CA 3.27Å; R52-A63 HydrophobicContact CG-CB 4.5Å
64S91.3Very high94.5Very high1 Ų135.9 Ų35.91%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-131.5135.6167.6-168.20000110.7F50 A51 Q66 Q91 P148F50-S64 CarbonylContact C-O 3.57Å; F50-S64 VanDerWaalsContact CA-O 3.26Å; F50-S64 WeakPolarHBondContact CA-O 3.47Å; F50-S64 WeakPolarHBondContact CD2-O 3.38Å; A51-S64 PolarHBondContact N-O 3.11Å; A51-S64 PolarHBondContact O-N 2.97Å; S64-Q66 VanDerWaalsContact C-N 3.26Å; S64-Q66 PolarHBondContact OG-N 2.75Å; S64-Q91 PolarHBondContact OG-NE2 3.05Å; S64-P148 VanDerWaalsContact CA-O 3.3Å; S64-P148 WeakPolarHBondContact CA-O 3.4Å; S64-P148 PolarHBondContact OG-O 3.29Å; S64-P148 VanDerWaalsContact OG-O 3.13Å
65A87.4Confident94.5Very high3 Ų333.1 Ų33.13%0.02519%0.185CC..EExtended strand (participates in β ladder)trans-79.6-11.6175.100000112.9T49 L145 P148T49-A65 CarbonylContact O-C 3.55Å; A65-L145 HydrophobicContact CB-CB 3.85Å; A65-L145 VanDerWaalsContact CB-O 3.27Å; A65-L145 WeakPolarHBondContact CB-O 3.46Å; A65-L145 WeakPolarHBondContact O-CB 3.3Å; A65-L145 WeakPolarHBondContact O-CD1 2.99Å; A65-P148 PolarHBondContact N-O 2.7Å; A65-P148 VanDerWaalsContact N-O 3.15Å
66Q88.4Confident94.5Very high39 Ų3934.3 Ų34.318%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-132.884.9-175.1-65-176.9-15.800109.8S64 Q91 H149S64-Q66 VanDerWaalsContact C-N 3.26Å; S64-Q66 PolarHBondContact OG-N 2.75Å; Q66-Q91 PolarHBondContact O-NE2 3.47Å; Q66-H149 HydrophobicContact CB-CB 4.05Å; Q66-H149 WeakPolarHBondContact CB-ND1 3.45Å; Q66-H149 HydrophobicContact CG-CB 4.2Å; Q66-H149 PolarHBondContact O-CE1 2.93Å; Q66-H149 PolarHBondContact O-ND1 3.49Å; Q66-H149 PolarHBondContact OE1-CD2 3.05Å
67V92.4Very high94.2Very high1 Ų135.8 Ų35.81%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-108.7120.9166.6179.60000108.3W48 T49 A51 F53 V88 F89 P104 F106W48-V67 CarbonylContact C-O 3.54Å; W48-V67 WeakPolarHBondContact CA-O 3.39Å; T49-V67 HydrophobicContact CG2-CB 4.27Å; T49-V67 PolarHBondContact N-O 3.33Å; T49-V67 WeakPolarHBondContact O-CB 3.31Å; T49-V67 PolarHBondContact O-N 3.37Å; A51-V67 HydrophobicContact CB-CB 4.39Å; A51-V67 HydrophobicContact CB-CG2 3.74Å; F53-V67 HydrophobicContact CE2-CG2 3.75Å; F53-V67 HydrophobicContact CZ-CG2 3.63Å; V67-V88 HydrophobicContact CG1-CG1 3.8Å; V67-F89 WeakPolarHBondContact CG1-O 3.4Å; V67-P104 HydrophobicContact CG1-CB 4.35Å; V67-P104 HydrophobicContact CG1-CG 4.1Å; V67-F106 HydrophobicContact CG1-CZ 4.16Å
68L93.9Very high94.1Very high1 Ų140.5 Ų40.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-79131178.2-179.961000109.9Q46 W48 F89 A156 F161Q46-L68 HydrophobicContact CB-CD1 4.06Å; Q46-L68 HydrophobicContact CG-CD1 4.42Å; W48-L68 HydrophobicContact CD2-CD1 4.34Å; W48-L68 HydrophobicContact CZ2-CD1 4.22Å; L68-F89 HydrophobicContact CB-CB 4.24Å; L68-F89 HydrophobicContact CB-CD2 3.74Å; L68-F89 HydrophobicContact CB-CE2 4.42Å; L68-F89 HydrophobicContact CB-CG 4.16Å; L68-F89 HydrophobicContact CD2-CD2 3.78Å; L68-F89 HydrophobicContact CD2-CE2 3.61Å; L68-F89 HydrophobicContact CD2-CG 4.41Å; L68-F89 HydrophobicContact CD2-CZ 4.11Å; L68-F89 HydrophobicContact CG-CD2 3.69Å; L68-F89 HydrophobicContact CG-CE2 3.88Å; L68-F89 HydrophobicContact CG-CG 4.5Å; L68-F89 WeakPolarHBondContact O-CD2 3.43Å; L68-F89 PolarHBondContact O-N 3.5Å; L68-A156 HydrophobicContact CB-CB 4.09Å; L68-A156 HydrophobicContact CD2-CB 3.95Å; L68-F161 HydrophobicContact CD2-CB 4.07Å
69V95.5Very high94Very high0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-117.4122.5167.5-171.10000108.4Q46 Q47 T49 F71 M86 R87 V88Q46-V69 WeakPolarHBondContact CA-O 3.3Å; Q47-V69 PolarHBondContact N-O 2.88Å; Q47-V69 PolarHBondContact O-N 2.89Å; T49-V69 HydrophobicContact CG2-CG2 3.8Å; V69-F71 HydrophobicContact CB-CE2 4.11Å; V69-F71 HydrophobicContact CB-CZ 4.39Å; V69-F71 HydrophobicContact CG1-CD2 4.24Å; V69-F71 HydrophobicContact CG1-CE1 4.04Å; V69-F71 HydrophobicContact CG1-CE2 3.46Å; V69-F71 VanDerWaalsContact CG1-CE2 3.46Å; V69-F71 HydrophobicContact CG1-CZ 3.34Å; V69-M86 HydrophobicContact CG1-CG 4.03Å; V69-M86 HydrophobicContact CG1-SD 4.32Å; V69-R87 WeakPolarHBondContact CA-O 3.5Å; V69-V88 HydrophobicContact CG1-CG2 3.94Å; V69-V88 HydrophobicContact CG2-CG1 4.26Å; V69-V88 HydrophobicContact CG2-CG2 4.1Å
70L96.4Very high94Very high0 Ų042.8 Ų42.80%021%0.205CC..EExtended strand (participates in β ladder)trans-106.1133178.7174.768.3000110.1L33 P35 Q46 M86 R87 F89L33-L70 HydrophobicContact CB-CD2 4.11Å; L33-L70 HydrophobicContact CD2-CD2 3.88Å; L33-L70 HydrophobicContact CD2-CG 3.91Å; L33-L70 HydrophobicContact CG-CD2 3.76Å; L33-L70 HydrophobicContact CG-CG 4.33Å; P35-L70 HydrophobicContact CG-CD2 3.94Å; Q46-L70 HydrophobicContact CG-CD1 3.5Å; L70-M86 CarbonylContact O-C 3.57Å; L70-M86 VanDerWaalsContact O-CA 3.31Å; L70-M86 WeakPolarHBondContact O-CA 3.49Å; L70-R87 HydrophobicContact CB-CB 4.48Å; L70-R87 PolarHBondContact N-O 2.91Å; L70-R87 PolarHBondContact O-N 2.85Å; L70-F89 HydrophobicContact CB-CE2 4.13Å
71F97.7Very high94.1Very high0 Ų043.7 Ų43.70%021%0.208CC..EExtended strand (participates in β ladder)trans-122127.6173.3-58.7-80.7000110.7W8 Q44 Y45 V69 V84 K85 M86 I114 L118W8-F71 HydrophobicContact CZ3-CZ 4.36Å; Q44-F71 CarbonylContact C-O 3.56Å; Q44-F71 VanDerWaalsContact CA-O 3.26Å; Q44-F71 WeakPolarHBondContact CA-O 3.3Å; Y45-F71 AromaticContact CD1-CD2 3.68Å; Y45-F71 HydrophobicContact CD1-CD2 3.68Å; Y45-F71 HydrophobicContact CD1-CE2 4.25Å; Y45-F71 HydrophobicContact CD1-CG 4.5Å; Y45-F71 HydrophobicContact CE1-CD2 4.24Å; Y45-F71 HydrophobicContact CE1-CE2 4.38Å; Y45-F71 PolarHBondContact N-O 2.82Å; Y45-F71 PolarHBondContact O-N 2.72Å; V69-F71 HydrophobicContact CB-CE2 4.11Å; V69-F71 HydrophobicContact CB-CZ 4.39Å; V69-F71 HydrophobicContact CG1-CD2 4.24Å; V69-F71 HydrophobicContact CG1-CE1 4.04Å; V69-F71 HydrophobicContact CG1-CE2 3.46Å; V69-F71 VanDerWaalsContact CG1-CE2 3.46Å; V69-F71 HydrophobicContact CG1-CZ 3.34Å; F71-V84 HydrophobicContact CB-CG1 4.33Å; F71-V84 HydrophobicContact CD1-CG1 3.78Å; F71-K85 CarbonylContact C-O 3.54Å; F71-K85 VanDerWaalsContact CA-O 3.3Å; F71-K85 WeakPolarHBondContact CA-O 3.47Å; F71-M86 HydrophobicContact CD1-CB 3.97Å; F71-M86 HydrophobicContact CD1-CG 3.87Å; F71-M86 HydrophobicContact CD1-SD 4.43Å; F71-M86 HydrophobicContact CE1-CB 3.98Å; F71-M86 HydrophobicContact CE1-CG 3.47Å; F71-M86 VanDerWaalsContact CE1-CG 3.47Å; F71-M86 HydrophobicContact CE1-SD 3.51Å; F71-M86 VanDerWaalsContact CE1-SD 3.51Å; F71-M86 HydrophobicContact CZ-CG 4.22Å; F71-M86 HydrophobicContact CZ-SD 4.07Å; F71-I114 HydrophobicContact CE2-CG2 3.89Å; F71-I114 HydrophobicContact CZ-CG2 3.69Å; F71-L118 HydrophobicContact CB-CD1 3.83Å; F71-L118 HydrophobicContact CD1-CD1 3.96Å; F71-L118 HydrophobicContact CD1-CD2 3.77Å; F71-L118 HydrophobicContact CD1-CG 4.42Å; F71-L118 HydrophobicContact CD2-CD1 4.12Å; F71-L118 HydrophobicContact CE1-CD2 3.72Å; F71-L118 HydrophobicContact CG-CD1 3.71Å; F71-L118 HydrophobicContact CG-CD2 4.35Å; F71-L118 HydrophobicContact CZ-CD2 4.29Å
72H97.7Very high94.2Very high8 Ų839.6 Ų39.64%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-104.5129161.4-69.6-176.8000108.3L33 L34 V37 L38 W42 M43 V84 K85L33-H72 HydrophobicContact CD1-CB 4.17Å; L33-H72 VanDerWaalsContact CD1-ND1 3.28Å; L33-H72 WeakPolarHBondContact CD1-ND1 3.25Å; L33-H72 HydrophobicContact CD2-CB 4.24Å; L34-H72 PolarHBondContact O-CE1 3.36Å; L34-H72 PolarHBondContact O-NE2 2.87Å; V37-H72 PolarHBondContact O-CE1 2.87Å; V37-H72 VanDerWaalsContact O-CE1 3.3Å; L38-H72 HydrophobicContact CD2-CB 4.39Å; W42-H72 HydrophobicContact CE3-CB 3.65Å; W42-H72 HydrophobicContact CZ3-CB 4.08Å; W42-H72 WeakPolarHBondContact CZ3-O 3.34Å; M43-H72 CarbonylContact O-C 3.55Å; M43-H72 WeakPolarHBondContact O-CA 3.39Å; H72-V84 CarbonylContact O-C 3.46Å; H72-V84 VanDerWaalsContact O-CA 3.29Å; H72-V84 WeakPolarHBondContact O-CA 3.35Å; H72-K85 HydrophobicContact CB-CB 4.34Å; H72-K85 PolarHBondContact N-O 3.29Å; H72-K85 PolarHBondContact O-N 2.93Å
73M97.4Very high94.3Very high0 Ų041.7 Ų41.70%020%0.198CC..EExtended strand (participates in β ladder)trans-122.3137.5-173.5-54.3167.8-67.500109.4W42 M43 Q83 V84 L118 I122 K125W42-M73 CarbonylContact C-O 3.53Å; W42-M73 WeakPolarHBondContact CA-O 3.44Å; M43-M73 HydrophobicContact CB-CE 4.14Å; M43-M73 PolarHBondContact N-O 3.36Å; M43-M73 PolarHBondContact O-N 2.93Å; M73-Q83 CarbonylContact C-O 3.52Å; M73-Q83 WeakPolarHBondContact CA-O 3.41Å; M73-V84 HydrophobicContact CG-CG2 4.24Å; M73-L118 HydrophobicContact CG-CD1 4.06Å; M73-L118 HydrophobicContact SD-CD1 3.58Å; M73-L118 VanDerWaalsContact SD-CD1 3.58Å; M73-I122 HydrophobicContact CG-CG1 4.26Å; M73-I122 HydrophobicContact SD-CD1 4.49Å; M73-I122 HydrophobicContact SD-CG1 3.52Å; M73-I122 VanDerWaalsContact SD-CG1 3.52Å; M73-K125 HydrophobicContact CE-CD 4.33Å
74H95.9Very high94.6Very high44 Ų4440.7 Ų40.720%0.20419%0.19CC..EExtended strand (participates in β ladder)trans-136.4136.4175.2174-82.3000109.7G41 W42 G82 Q83G41-H74 PolarHBondContact O-CD2 2.75Å; W42-H74 AromaticContact CD1-CD2 3.8Å; W42-H74 HydrophobicContact CD2-CB 3.54Å; W42-H74 HydrophobicContact CE3-CB 3.71Å; W42-H74 HydrophobicContact CG-CB 4.02Å; W42-H74 HydrophobicContact CH2-CB 4.08Å; W42-H74 HydrophobicContact CZ2-CB 3.88Å; W42-H74 HydrophobicContact CZ3-CB 3.99Å; W42-H74 AromaticContact NE1-CD2 3.76Å; H74-G82 CarbonylContact O-C 3.54Å; H74-G82 VanDerWaalsContact O-CA 3.26Å; H74-G82 WeakPolarHBondContact O-CA 3.46Å; H74-Q83 PolarHBondContact N-O 3.11Å; H74-Q83 PolarHBondContact O-N 3.06Å
75W95.4Very high94.9Very high37 Ų3743.6 Ų43.614%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-121.7132.1178.1172.2-115.6000110.4H23 W25 S80 R81 C126 Y127H23-W75 HydrophobicContact CB-CH2 3.89Å; H23-W75 HydrophobicContact CB-CZ3 4.1Å; H23-W75 AromaticContact CD2-CH2 3.95Å; H23-W75 AromaticContact CE1-CH2 3.9Å; H23-W75 AromaticContact CG-CH2 3.54Å; H23-W75 AromaticContact ND1-CH2 3.52Å; W25-W75 AromaticContact CE2-CE3 3.82Å; W25-W75 HydrophobicContact CH2-CB 4.15Å; W25-W75 HydrophobicContact CH2-CE3 4.36Å; W25-W75 HydrophobicContact CZ2-CB 4.18Å; W25-W75 HydrophobicContact CZ2-CD2 4.14Å; W25-W75 AromaticContact CZ2-CE3 3.48Å; W25-W75 HydrophobicContact CZ2-CE3 3.48Å; W25-W75 VanDerWaalsContact CZ2-CE3 3.48Å; W25-W75 HydrophobicContact CZ2-CG 4.44Å; W25-W75 HydrophobicContact CZ2-CZ3 4.24Å; W25-W75 AromaticContact NE1-CE3 3.85Å; W25-W75 AromaticContact NE1-CZ3 3.69Å; W75-S80 VanDerWaalsContact CH2-CA 3.41Å; W75-S80 VanDerWaalsContact CZ3-C 3.42Å; W75-R81 VanDerWaalsContact CE3-C 3.42Å; W75-R81 VanDerWaalsContact CE3-O 3.31Å; W75-R81 VanDerWaalsContact CZ3-N 3.27Å; W75-C126 HydrophobicContact CB-CB 3.76Å; W75-C126 VanDerWaalsContact CD1-O 3.28Å; W75-C126 HydrophobicContact CG-CB 4.25Å; W75-Y127 AromaticContact CD2-CE1 4Å; W75-Y127 HydrophobicContact CD2-CE1 4Å; W75-Y127 AromaticContact CD2-CZ 3.9Å; W75-Y127 AromaticContact CE2-CE1 3.45Å; W75-Y127 VanDerWaalsContact CE2-CE1 3.45Å; W75-Y127 AromaticContact CE2-CZ 3.84Å; W75-Y127 HydrophobicContact CE3-CE1 4.37Å; W75-Y127 AromaticContact CE3-CZ 3.89Å; W75-Y127 VanDerWaalsContact CE3-OH 3.29Å; W75-Y127 AromaticContact CH2-CE1 3.8Å; W75-Y127 HydrophobicContact CH2-CE1 3.8Å; W75-Y127 AromaticContact CH2-CZ 3.8Å; W75-Y127 WeakPolarHBondContact CH2-OH 3.12Å; W75-Y127 HydrophobicContact CZ2-CD1 4.4Å; W75-Y127 AromaticContact CZ2-CE1 3.36Å; W75-Y127 HydrophobicContact CZ2-CE1 3.36Å; W75-Y127 AromaticContact CZ2-CZ 3.81Å; W75-Y127 HydrophobicContact CZ3-CE1 4.28Å; W75-Y127 AromaticContact CZ3-CZ 3.85Å; W75-Y127 WeakPolarHBondContact CZ3-OH 3.42Å; W75-Y127 AromaticContact NE1-CE1 3.88Å
76S94.4Very high95.4Very high26 Ų2643.5 Ų43.518%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-115.4106.7171.61750000107.9K79 S80 R81S76-K79 PolarHBondContact O-N 2.83Å; S76-K79 WeakPolarHBondContact OG-CB 3.45Å; S76-S80 PolarHBondContact O-N 3.03Å; S76-S80 VanDerWaalsContact O-N 3.1Å; S76-R81 PolarHBondContact N-O 3.46Å; S76-R81 PolarHBondContact O-N 3.14Å; S76-R81 VanDerWaalsContact O-N 3.08Å
77E90.8Very high95.8Very high111 Ų11142.5 Ų42.552%0.51920%0.196SC..THydrogen-bonded Turntrans-64.9-46.6-179.9-174.7167.1-154.700111.8K79 S80 R130E77-K79 PolarHBondContact O-N 3.01Å; E77-K79 VanDerWaalsContact O-N 3.17Å; E77-S80 PolarHBondContact O-N 3.38Å; E77-R130 IonicContact OE1-CZ 3.53Å; E77-R130 IonicContact OE1-NE 3.01Å; E77-R130 IonicContact OE1-NH2 2.62Å; E77-R130 PolarHBondContact OE1-NH2 3.39Å
78E92.8Very high95.9Very high177 Ų17742.7 Ų42.783%0.82720%0.197SC*.THydrogen-bonded Turntrans-51.7-40.3176.4-174.4-165173.100112.7
79K94.3Very high96Very high133 Ų13342.8 Ų42.858%0.57820%0.198SC*.THydrogen-bonded Turntrans-94.4-3.1-176-63.3178.2-177.8174.10112.9S76 E77 R81S76-K79 PolarHBondContact O-N 2.83Å; S76-K79 WeakPolarHBondContact OG-CB 3.45Å; E77-K79 PolarHBondContact O-N 3.01Å; E77-K79 VanDerWaalsContact O-N 3.17Å; K79-R81 HydrophobicContact CB-CB 4.03Å; K79-R81 HydrophobicContact CB-CG 4.39Å; K79-R81 VanDerWaalsContact O-CG 3.28Å; K79-R81 WeakPolarHBondContact O-CG 3.36Å; K79-R81 PolarHBondContact O-N 2.84Å; K79-R81 VanDerWaalsContact O-N 3.13Å
80S94.4Very high96Very high46 Ų4643.4 Ų43.432%0.32220%0.201SC..THydrogen-bonded Turntrans4739.6-169.3-65.60000112.3R24 W75 S76 E77R24-S80 PolarHBondContact N-O 2.86Å; W75-S80 VanDerWaalsContact CH2-CA 3.41Å; W75-S80 VanDerWaalsContact CZ3-C 3.42Å; S76-S80 PolarHBondContact O-N 3.03Å; S76-S80 VanDerWaalsContact O-N 3.1Å; E77-S80 PolarHBondContact O-N 3.38Å
81R96.8Very high96Very high139 Ų13943.6 Ų43.653%0.52520%0.202SC..EExtended strand (participates in β ladder)trans-130.4133.3-170.8-83.9173.1-173.9-1693.6112.6R24 W75 S76 K79R24-R81 HydrophobicContact CB-CG 4.12Å; R24-R81 CarbonylContact O-C 3.57Å; R24-R81 VanDerWaalsContact O-CA 3.28Å; R24-R81 WeakPolarHBondContact O-CA 3.39Å; W75-R81 VanDerWaalsContact CE3-C 3.42Å; W75-R81 VanDerWaalsContact CE3-O 3.31Å; W75-R81 VanDerWaalsContact CZ3-N 3.27Å; S76-R81 PolarHBondContact N-O 3.46Å; S76-R81 PolarHBondContact O-N 3.14Å; S76-R81 VanDerWaalsContact O-N 3.08Å; K79-R81 HydrophobicContact CB-CB 4.03Å; K79-R81 HydrophobicContact CB-CG 4.39Å; K79-R81 VanDerWaalsContact O-CG 3.28Å; K79-R81 WeakPolarHBondContact O-CG 3.36Å; K79-R81 PolarHBondContact O-N 2.84Å; K79-R81 VanDerWaalsContact O-N 3.13Å
82G97.1Very high95.9Very high2 Ų246.8 Ų46.82%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-120.9152.217600000113.5R24 W25 T26 H74R24-G82 PolarHBondContact O-N 3.34Å; W25-G82 CarbonylContact C-O 3.56Å; W25-G82 WeakPolarHBondContact CA-O 3.41Å; T26-G82 PolarHBondContact N-O 3.42Å; T26-G82 PolarHBondContact OG1-O 3.04Å; H74-G82 CarbonylContact O-C 3.54Å; H74-G82 VanDerWaalsContact O-CA 3.26Å; H74-G82 WeakPolarHBondContact O-CA 3.46Å
83Q97.8Very high95.8Very high84 Ų8446.5 Ų46.539%0.39321%0.213SC..EExtended strand (participates in β ladder)trans-132.5137.7179.5-65179.886.200109.7T26 W42 M73 H74T26-Q83 CarbonylContact O-C 3.51Å; W42-Q83 HydrophobicContact CH2-CB 4.05Å; M73-Q83 CarbonylContact C-O 3.52Å; M73-Q83 WeakPolarHBondContact CA-O 3.41Å; H74-Q83 PolarHBondContact N-O 3.11Å; H74-Q83 PolarHBondContact O-N 3.06Å
84V98.3Very high95.7Very high3 Ų353.9 Ų53.92%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-124.3127.1172-177.90000108.6F12 W25 T26 L27 R28 F71 H72 M73 L118 I122F12-V84 HydrophobicContact CE1-CG2 4.23Å; F12-V84 HydrophobicContact CE2-CG2 4.33Å; F12-V84 HydrophobicContact CZ-CG2 3.66Å; W25-V84 HydrophobicContact CE3-CG2 3.83Å; W25-V84 HydrophobicContact CZ3-CG2 3.87Å; T26-V84 PolarHBondContact O-N 3.37Å; L27-V84 CarbonylContact C-O 3.56Å; L27-V84 WeakPolarHBondContact CA-O 3.29Å; L27-V84 HydrophobicContact CB-CB 4.35Å; L27-V84 HydrophobicContact CD1-CG1 4.38Å; L27-V84 HydrophobicContact CG-CB 4.38Å; L27-V84 HydrophobicContact CG-CG1 4.3Å; R28-V84 PolarHBondContact N-O 2.81Å; F71-V84 HydrophobicContact CB-CG1 4.33Å; F71-V84 HydrophobicContact CD1-CG1 3.78Å; H72-V84 CarbonylContact O-C 3.46Å; H72-V84 VanDerWaalsContact O-CA 3.29Å; H72-V84 WeakPolarHBondContact O-CA 3.35Å; M73-V84 HydrophobicContact CG-CG2 4.24Å; V84-L118 HydrophobicContact CG1-CD1 4.49Å; V84-L118 HydrophobicContact CG1-CD2 4.07Å; V84-I122 HydrophobicContact CG2-CD1 3.98Å
85K98Very high95.6Very high61 Ų6159.3 Ų59.327%0.26527%0.268SS..EExtended strand (participates in β ladder)trans-101.4137.2163.7-68.8175.9160.8-134.40108.7R28 D30 L33 W42 F71 H72R28-K85 CarbonylContact O-C 3.49Å; R28-K85 VanDerWaalsContact O-CA 3.3Å; R28-K85 WeakPolarHBondContact O-CA 3.3Å; D30-K85 HydrophobicContact CB-CB 4.29Å; D30-K85 IonicContact OD2-NZ 2.71Å; D30-K85 PolarHBondContact OD2-NZ 3.43Å; L33-K85 HydrophobicContact CD1-CB 3.9Å; L33-K85 HydrophobicContact CD1-CD 3.97Å; L33-K85 HydrophobicContact CD2-CB 3.97Å; L33-K85 WeakPolarHBondContact CD2-O 3.5Å; W42-K85 HydrophobicContact CH2-CD 3.87Å; W42-K85 HydrophobicContact CH2-CG 3.95Å; W42-K85 HydrophobicContact CZ3-CB 4.41Å; W42-K85 HydrophobicContact CZ3-CD 3.97Å; W42-K85 HydrophobicContact CZ3-CG 3.94Å; F71-K85 CarbonylContact C-O 3.54Å; F71-K85 VanDerWaalsContact CA-O 3.3Å; F71-K85 WeakPolarHBondContact CA-O 3.47Å; H72-K85 HydrophobicContact CB-CB 4.34Å; H72-K85 PolarHBondContact N-O 3.29Å; H72-K85 PolarHBondContact O-N 2.93Å
86M97.4Very high95.6Very high2 Ų258.5 Ų58.51%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-127.3131.7-176.1-178-179.97500110.8M1 W8 L27 R28 P29 D30 V69 L70 F71 V88M1-M86 HydrophobicContact CE-CE 4.17Å; W8-M86 HydrophobicContact CB-CE 4.34Å; W8-M86 HydrophobicContact CD2-CE 3.95Å; W8-M86 HydrophobicContact CD2-SD 4.07Å; W8-M86 HydrophobicContact CE3-CE 4.12Å; W8-M86 HydrophobicContact CE3-SD 3.62Å; W8-M86 HydrophobicContact CG-CE 4.05Å; W8-M86 HydrophobicContact CH2-SD 4.43Å; W8-M86 HydrophobicContact CZ3-SD 3.84Å; L27-M86 HydrophobicContact CD1-SD 4.49Å; L27-M86 HydrophobicContact CD2-CB 4.37Å; L27-M86 HydrophobicContact CD2-CE 4.12Å; L27-M86 HydrophobicContact CD2-SD 4.31Å; R28-M86 PolarHBondContact O-N 3.2Å; P29-M86 CarbonylContact C-O 3.56Å; P29-M86 VanDerWaalsContact CA-O 3.27Å; P29-M86 WeakPolarHBondContact CA-O 3.44Å; D30-M86 PolarHBondContact N-O 3.04Å; V69-M86 HydrophobicContact CG1-CG 4.03Å; V69-M86 HydrophobicContact CG1-SD 4.32Å; L70-M86 CarbonylContact O-C 3.57Å; L70-M86 VanDerWaalsContact O-CA 3.31Å; L70-M86 WeakPolarHBondContact O-CA 3.49Å; F71-M86 HydrophobicContact CD1-CB 3.97Å; F71-M86 HydrophobicContact CD1-CG 3.87Å; F71-M86 HydrophobicContact CD1-SD 4.43Å; F71-M86 HydrophobicContact CE1-CB 3.98Å; F71-M86 HydrophobicContact CE1-CG 3.47Å; F71-M86 VanDerWaalsContact CE1-CG 3.47Å; F71-M86 HydrophobicContact CE1-SD 3.51Å; F71-M86 VanDerWaalsContact CE1-SD 3.51Å; F71-M86 HydrophobicContact CZ-CG 4.22Å; F71-M86 HydrophobicContact CZ-SD 4.07Å; M86-V88 HydrophobicContact CE-CG2 4.39Å; M86-V88 HydrophobicContact CG-CG2 4.49Å; M86-V88 HydrophobicContact SD-CG2 4.46Å
87R96.4Very high95.4Very high17 Ų1763.6 Ų63.66%0.06430%0.3CS..EExtended strand (participates in β ladder)trans-120.9135164.1-175.6177.2178.6-174-1.4109D30 K31 L33 V69 L70 F89 E155 E159D30-R87 WeakPolarHBondContact O-CB 3.39Å; K31-R87 WeakPolarHBondContact O-CD 3.41Å; K31-R87 VanDerWaalsContact O-CZ 3.27Å; K31-R87 PolarHBondContact O-NE 3.1Å; L33-R87 HydrophobicContact CB-CB 3.76Å; L33-R87 HydrophobicContact CD2-CB 4.37Å; L33-R87 WeakPolarHBondContact O-CD 3.36Å; L33-R87 PolarHBondContact O-NH1 3.32Å; V69-R87 WeakPolarHBondContact CA-O 3.5Å; L70-R87 HydrophobicContact CB-CB 4.48Å; L70-R87 PolarHBondContact N-O 2.91Å; L70-R87 PolarHBondContact O-N 2.85Å; R87-F89 HydrophobicContact CG-CE2 4.36Å; R87-E155 IonicContact CZ-OE1 3.77Å; R87-E155 IonicContact NE-OE1 3.37Å; R87-E155 IonicContact NH2-OE1 2.93Å; R87-E155 PolarHBondContact NH2-OE1 3.43Å; R87-E159 IonicContact CZ-OE1 3.32Å; R87-E159 IonicContact CZ-OE2 3.96Å; R87-E159 IonicContact NH1-OE2 3.81Å; R87-E159 PolarHBondContact NH1-OE2 3.24Å; R87-E159 IonicContact NH2-OE1 2.66Å; R87-E159 PolarHBondContact NH2-OE1 3.3Å; R87-E159 IonicContact NH2-OE2 3.73Å; R87-E159 PolarHBondContact NH2-OE2 2.85Å
88V95.8Very high95.3Very high6 Ų666.7 Ų66.74%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-110.2128.7167.3-177.80000107.3M1 V67 V69 M86 P104 F106M1-V88 HydrophobicContact CE-CB 3.53Å; M1-V88 HydrophobicContact CE-CG1 4.49Å; M1-V88 HydrophobicContact CE-CG2 3.27Å; M1-V88 HydrophobicContact SD-CB 4.21Å; M1-V88 HydrophobicContact SD-CG2 4.47Å; V67-V88 HydrophobicContact CG1-CG1 3.8Å; V69-V88 HydrophobicContact CG1-CG2 3.94Å; V69-V88 HydrophobicContact CG2-CG1 4.26Å; V69-V88 HydrophobicContact CG2-CG2 4.1Å; M86-V88 HydrophobicContact CE-CG2 4.39Å; M86-V88 HydrophobicContact CG-CG2 4.49Å; M86-V88 HydrophobicContact SD-CG2 4.46Å; V88-P104 HydrophobicContact CB-CG 4.41Å; V88-P104 HydrophobicContact CG1-CG 3.3Å; V88-F106 HydrophobicContact CG1-CE2 3.89Å; V88-F106 HydrophobicContact CG1-CZ 3.83Å; V88-F106 HydrophobicContact CG2-CE2 4.43Å
89F95.5Very high95.2Very high3 Ų359.5 Ų59.51%0.01328%0.284CS..  trans-80.5146.7179.5-72.4-100.5000111.2P35 V67 L68 L70 R87 E155 A156 F161P35-F89 HydrophobicContact CG-CZ 4.11Å; V67-F89 WeakPolarHBondContact CG1-O 3.4Å; L68-F89 HydrophobicContact CB-CB 4.24Å; L68-F89 HydrophobicContact CB-CD2 3.74Å; L68-F89 HydrophobicContact CB-CE2 4.42Å; L68-F89 HydrophobicContact CB-CG 4.16Å; L68-F89 HydrophobicContact CD2-CD2 3.78Å; L68-F89 HydrophobicContact CD2-CE2 3.61Å; L68-F89 HydrophobicContact CD2-CG 4.41Å; L68-F89 HydrophobicContact CD2-CZ 4.11Å; L68-F89 HydrophobicContact CG-CD2 3.69Å; L68-F89 HydrophobicContact CG-CE2 3.88Å; L68-F89 HydrophobicContact CG-CG 4.5Å; L68-F89 WeakPolarHBondContact O-CD2 3.43Å; L68-F89 PolarHBondContact O-N 3.5Å; L70-F89 HydrophobicContact CB-CE2 4.13Å; R87-F89 HydrophobicContact CG-CE2 4.36Å; F89-E155 WeakPolarHBondContact CA-OE2 3.37Å; F89-E155 HydrophobicContact CB-CB 4.47Å; F89-E155 HydrophobicContact CD1-CB 4.21Å; F89-E155 HydrophobicContact CD1-CG 3.98Å; F89-A156 HydrophobicContact CB-CB 4.05Å; F89-A156 HydrophobicContact CD1-CB 3.65Å; F89-A156 HydrophobicContact CE1-CB 4.2Å; F89-A156 HydrophobicContact CG-CB 3.84Å; F89-F161 AromaticContact CE1-CD2 4Å; F89-F161 HydrophobicContact CE1-CD2 4Å; F89-F161 HydrophobicContact CZ-CD2 4.09Å
90T95.8Very high95.2Very high12 Ų1258.4 Ų58.47%0.07428%0.283CS..  trans-105.4170.7-169.557.70000111.8F101 E102 E155T90-F101 VanDerWaalsContact OG1-CB 3.3Å; T90-F101 WeakPolarHBondContact OG1-CB 3.46Å; T90-F101 WeakPolarHBondContact OG1-CD1 3.28Å; T90-F101 WeakPolarHBondContact OG1-CG 3.5Å; T90-E102 WeakPolarHBondContact CB-O 3.32Å; T90-E155 WeakPolarHBondContact CB-OE2 3.44Å; T90-E155 PolarHBondContact N-OE2 3.13Å; T90-E155 VanDerWaalsContact O-CB 3.25Å; T90-E155 WeakPolarHBondContact O-CB 3.45Å; T90-E155 PolarHBondContact O-N 2.96Å; T90-E155 VanDerWaalsContact OG1-CD 3.24Å; T90-E155 PolarHBondContact OG1-OE2 2.93Å
91Q96Very high95.2Very high4 Ų460.4 Ų60.42%0.01929%0.287CS..EExtended strand (participates in β ladder)trans-137.4151.7176.6-62.6-169.88.400112.5F53 W62 S64 Q66 E102 N153 C154F53-Q91 HydrophobicContact CD1-CB 4.25Å; F53-Q91 HydrophobicContact CE1-CB 3.83Å; F53-Q91 HydrophobicContact CE1-CG 3.97Å; F53-Q91 HydrophobicContact CE2-CB 4.37Å; F53-Q91 HydrophobicContact CE2-CG 4.09Å; F53-Q91 HydrophobicContact CZ-CB 3.9Å; F53-Q91 HydrophobicContact CZ-CG 3.57Å; W62-Q91 HydrophobicContact CZ2-CB 4.15Å; S64-Q91 PolarHBondContact OG-NE2 3.05Å; Q66-Q91 PolarHBondContact O-NE2 3.47Å; Q91-E102 PolarHBondContact N-O 3.43Å; Q91-E102 PolarHBondContact O-N 3.02Å; Q91-N153 CarbonylContact C-O 3.58Å; Q91-N153 VanDerWaalsContact CA-O 3.28Å; Q91-N153 WeakPolarHBondContact CA-O 3.42Å; Q91-C154 HydrophobicContact CG-CB 4.37Å
92R96.6Very high95.2Very high68 Ų6854.9 Ų54.926%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-93.1147.9178-68.3-174.8-60.9167.8-0.1111.7K94 P99 F101 D152 N153R92-K94 PolarHBondContact O-N 3.42Å; R92-P99 HydrophobicContact CB-CB 3.9Å; R92-P99 HydrophobicContact CB-CG 3.95Å; R92-P99 HydrophobicContact CG-CB 4.42Å; R92-P99 HydrophobicContact CG-CG 4.41Å; R92-F101 HydrophobicContact CG-CD1 3.59Å; R92-F101 HydrophobicContact CG-CD2 4.24Å; R92-F101 HydrophobicContact CG-CE1 3.57Å; R92-F101 HydrophobicContact CG-CE2 4.24Å; R92-F101 HydrophobicContact CG-CG 3.94Å; R92-F101 HydrophobicContact CG-CZ 3.93Å; R92-D152 PolarHBondContact NH2-O 2.97Å; R92-N153 HydrophobicContact CB-CB 4.01Å; R92-N153 PolarHBondContact N-O 3.11Å; R92-N153 WeakPolarHBondContact O-CB 3.28Å
93C95.7Very high95.1Very high1 Ų157.4 Ų57.41%0.00728%0.279CS..  trans-70.6125.4171.6-173.10000111C55 C58 W62 K95 C96 P99C55-C93 HydrophobicContact CB-CB 3.95Å; C55-C93 VanDerWaalsContact SG-CB 3.6Å; C58-C93 VanDerWaalsContact SG-SG 3.66Å; W62-C93 HydrophobicContact CH2-CB 4.2Å; W62-C93 HydrophobicContact CZ3-CB 4.26Å; C93-K95 PolarHBondContact O-N 3.12Å; C93-C96 HydrophobicContact CB-CB 4.45Å; C93-P99 HydrophobicContact CB-CB 4.3Å; C93-P99 VanDerWaalsContact O-CB 3.26Å; C93-P99 WeakPolarHBondContact O-CB 3.33Å
94K94.2Very high95Very high155 Ų15553.6 Ų53.667%0.67426%0.262SS*.THydrogen-bonded Turntrans-64.1-21.2177.7-171.8178.6177.8179.20114.3R92R92-K94 PolarHBondContact O-N 3.42Å
95K93.7Very high94.8Very high159 Ų15957.7 Ų57.769%0.69128%0.281SS*.THydrogen-bonded Turntrans-90.3-31.2-172.4-171.4179.1177.6-175.90113C93C93-K95 PolarHBondContact O-N 3.12Å
96C94.8Very high94.5Very high20 Ų2055.8 Ų55.814%0.13527%0.273CS..  trans-77.8142.4-173.2-65.40000110.4C93 P99C93-C96 HydrophobicContact CB-CB 4.45Å; C96-P99 HydrophobicContact CB-CB 4.03Å; C96-P99 WeakPolarHBondContact O-CD 3.27Å
97P90.6Very high94.3Very high132 Ų13260 Ų6086%0.85730%0.298SS*.SBendtrans-70.2-33.5179.626.6-33.7000112.7
98Q90.4Very high94.2Very high176 Ų17665.6 Ų65.682%0.82233%0.325SS*.SBendtrans-126.472.8174.9-65.5-177.60.200108.9
99P90.3Very high93.9Very high27 Ų2771 Ų7118%0.17535%0.35CS..PPolyproline II helixtrans-75.1133.4-173.728.4-28.8000111R92 C93 C96R92-P99 HydrophobicContact CB-CB 3.9Å; R92-P99 HydrophobicContact CB-CG 3.95Å; R92-P99 HydrophobicContact CG-CB 4.42Å; R92-P99 HydrophobicContact CG-CG 4.41Å; C93-P99 HydrophobicContact CB-CB 4.3Å; C93-P99 VanDerWaalsContact O-CB 3.26Å; C93-P99 WeakPolarHBondContact O-CB 3.33Å; C96-P99 HydrophobicContact CB-CB 4.03Å; C96-P99 WeakPolarHBondContact O-CD 3.27Å
100L93.5Very high93.7Very high109 Ų10971.9 Ų71.957%0.57136%0.355SS*.PPolyproline II helixtrans-77.1159.2166.7-60.1177.9000110.5E102L100-E102 PolarHBondContact O-N 3.43Å
101F95.3Very high93.7Very high89 Ų8971.5 Ų71.539%0.3935%0.353SS..EExtended strand (participates in β ladder)trans-77.5117169.7-82.6-71.2000109.9T90 R92 E155 L158T90-F101 VanDerWaalsContact OG1-CB 3.3Å; T90-F101 WeakPolarHBondContact OG1-CB 3.46Å; T90-F101 WeakPolarHBondContact OG1-CD1 3.28Å; T90-F101 WeakPolarHBondContact OG1-CG 3.5Å; R92-F101 HydrophobicContact CG-CD1 3.59Å; R92-F101 HydrophobicContact CG-CD2 4.24Å; R92-F101 HydrophobicContact CG-CE1 3.57Å; R92-F101 HydrophobicContact CG-CE2 4.24Å; R92-F101 HydrophobicContact CG-CG 3.94Å; R92-F101 HydrophobicContact CG-CZ 3.93Å; F101-E155 HydrophobicContact CD1-CB 3.91Å; F101-E155 HydrophobicContact CD1-CG 4.48Å; F101-E155 HydrophobicContact CE1-CB 3.54Å; F101-E155 HydrophobicContact CE1-CG 4.18Å; F101-E155 HydrophobicContact CZ-CB 4.18Å; F101-E155 HydrophobicContact CZ-CG 4.42Å; F101-L158 HydrophobicContact CE1-CD1 4.23Å; F101-L158 HydrophobicContact CZ-CD1 3.74Å
102E96.2Very high93.6Very high23 Ų2372.5 Ų72.511%0.10736%0.36CS..EExtended strand (participates in β ladder)trans-94.1138.4-179.8-56-64.8-176.700110.6F53 S56 W62 T90 Q91 L100F53-E102 HydrophobicContact CD1-CB 4.32Å; F53-E102 WeakPolarHBondContact CD1-O 3.25Å; F53-E102 WeakPolarHBondContact CE1-O 3.17Å; S56-E102 WeakPolarHBondContact CB-OE1 3.49Å; S56-E102 PolarHBondContact N-OE1 3.38Å; S56-E102 PolarHBondContact OG-OE1 3.34Å; W62-E102 HydrophobicContact CH2-CB 4.05Å; W62-E102 HydrophobicContact CH2-CG 3.8Å; T90-E102 WeakPolarHBondContact CB-O 3.32Å; Q91-E102 PolarHBondContact N-O 3.43Å; Q91-E102 PolarHBondContact O-N 3.02Å; L100-E102 PolarHBondContact O-N 3.43Å
103D94.9Very high93.4Very high54 Ų5473.8 Ų73.829%0.28937%0.365SS..PPolyproline II helixtrans-69.7138.7174.5-71.3-48.9000110.1M1M1-D103 HydrophobicContact CG-CB 4.24Å; M1-D103 VanDerWaalsContact N-CG 3.29Å; M1-D103 PolarHBondContact N-OD2 3.1Å
104P95.1Very high93.3Very high4 Ų473.7 Ų73.73%0.02637%0.365CS..PPolyproline II helixtrans-72.2147.8174.424.4-29.2000112.6A51 R52 F53 V67 V88 F106A51-P104 HydrophobicContact CB-CB 3.47Å; A51-P104 VanDerWaalsContact CB-CB 3.47Å; R52-P104 CarbonylContact O-C 3.57Å; R52-P104 WeakPolarHBondContact O-CA 3.27Å; F53-P104 HydrophobicContact CD1-CB 4.22Å; F53-P104 HydrophobicContact CE1-CB 3.6Å; F53-P104 HydrophobicContact CE1-CG 4.16Å; F53-P104 HydrophobicContact CE2-CB 4.36Å; F53-P104 HydrophobicContact CZ-CB 3.67Å; F53-P104 HydrophobicContact CZ-CG 4.39Å; V67-P104 HydrophobicContact CG1-CB 4.35Å; V67-P104 HydrophobicContact CG1-CG 4.1Å; V88-P104 HydrophobicContact CB-CG 4.41Å; V88-P104 HydrophobicContact CG1-CG 3.3Å; P104-F106 HydrophobicContact CB-CE2 3.87Å; P104-F106 HydrophobicContact CB-CZ 3.94Å; P104-F106 HydrophobicContact CG-CE2 3.68Å; P104-F106 HydrophobicContact CG-CZ 3.89Å
105E94.8Very high93.5Very high90 Ų9066.3 Ų66.342%0.42133%0.333SS..BIsolated β-bridgetrans-103.2125.5171.4-66.6171.5-138.500110.1R52 Q54R52-E105 HydrophobicContact CB-CB 4.48Å; R52-E105 PolarHBondContact N-O 2.64Å; R52-E105 PolarHBondContact O-N 2.99Å; Q54-E105 WeakPolarHBondContact CB-OE1 3.49Å
106F92.8Very high93.5Very high20 Ų2063.9 Ų63.99%0.08832%0.322CS..  trans-112.2142.3178.7-62.4-80.6000111.4W8 T49 F50 A51 V67 V88 P104 I111 I114W8-F106 AromaticContact CZ2-CD2 3.78Å; W8-F106 HydrophobicContact CZ2-CD2 3.78Å; W8-F106 AromaticContact CZ2-CE2 3.99Å; W8-F106 HydrophobicContact CZ2-CE2 3.99Å; W8-F106 HydrophobicContact CZ2-CG 4.12Å; T49-F106 HydrophobicContact CG2-CD1 4.49Å; T49-F106 HydrophobicContact CG2-CE1 3.5Å; T49-F106 HydrophobicContact CG2-CZ 4.11Å; F50-F106 WeakPolarHBondContact O-CE1 3.47Å; A51-F106 HydrophobicContact CB-CD1 3.96Å; A51-F106 HydrophobicContact CB-CE1 3.54Å; A51-F106 HydrophobicContact CB-CZ 3.95Å; V67-F106 HydrophobicContact CG1-CZ 4.16Å; V88-F106 HydrophobicContact CG1-CE2 3.89Å; V88-F106 HydrophobicContact CG1-CZ 3.83Å; V88-F106 HydrophobicContact CG2-CE2 4.43Å; P104-F106 HydrophobicContact CB-CE2 3.87Å; P104-F106 HydrophobicContact CB-CZ 3.94Å; P104-F106 HydrophobicContact CG-CE2 3.68Å; P104-F106 HydrophobicContact CG-CZ 3.89Å; F106-I111 HydrophobicContact CB-CD1 4.09Å; F106-I111 HydrophobicContact CB-CG1 3.64Å; F106-I111 HydrophobicContact CG-CG1 4.44Å; F106-I114 HydrophobicContact CD1-CD1 4.31Å; F106-I114 HydrophobicContact CE1-CD1 4.26Å
107T92.4Very high93.5Very high90 Ų9063.1 Ų63.155%0.55232%0.317SS*.  trans-72.1152.1163.867.20000109.8E109 N110 I111T107-E109 PolarHBondContact O-N 3.04Å; T107-N110 PolarHBondContact O-N 2.85Å; T107-N110 WeakPolarHBondContact OG1-CB 3.18Å; T107-N110 PolarHBondContact OG1-N 2.78Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 3.15Å
108Q93.3Very high93.7Very high135 Ų13556.9 Ų56.963%0.63128%0.276SS*.Hα-helixtrans-57.7-36176.6-70.5-167.6-7.300112.8V7 N110 I111 S112V7-Q108 HydrophobicContact CG1-CG 4.33Å; Q108-N110 VanDerWaalsContact C-N 3.3Å; Q108-N110 PolarHBondContact O-N 3.18Å; Q108-I111 PolarHBondContact O-N 2.8Å; Q108-S112 WeakPolarHBondContact O-CB 3.44Å; Q108-S112 PolarHBondContact O-N 3Å
109E90.8Very high94Very high119 Ų11948.8 Ų48.856%0.55624%0.239SC*.Hα-helixtrans-60.5-42.4174.9-172.6-174.217700111.3T107 S112 R113T107-E109 PolarHBondContact O-N 3.04Å; E109-S112 VanDerWaalsContact O-CB 3.3Å; E109-S112 WeakPolarHBondContact O-CB 3.4Å; E109-S112 PolarHBondContact O-N 3.13Å; E109-R113 WeakPolarHBondContact O-CG 3.35Å; E109-R113 PolarHBondContact O-N 2.74Å; E109-R113 IonicContact OE1-CZ 3.68Å; E109-R113 VanDerWaalsContact OE1-CZ 3.32Å; E109-R113 IonicContact OE1-NE 3.97Å; E109-R113 PolarHBondContact OE1-NE 3.41Å; E109-R113 IonicContact OE1-NH2 3.75Å; E109-R113 PolarHBondContact OE1-NH2 2.73Å
110N91.2Very high94Very high23 Ų2349.1 Ų49.112%0.12324%0.237CC..Hα-helixtrans-70.2-38.9-179.4-148.626.1000111.6T49 F50 T107 Q108 S112 R113 I114T49-N110 PolarHBondContact OG1-ND2 3.4Å; T49-N110 PolarHBondContact OG1-OD1 3.47Å; F50-N110 PolarHBondContact O-ND2 2.91Å; T107-N110 PolarHBondContact O-N 2.85Å; T107-N110 WeakPolarHBondContact OG1-CB 3.18Å; T107-N110 PolarHBondContact OG1-N 2.78Å; Q108-N110 VanDerWaalsContact C-N 3.3Å; Q108-N110 PolarHBondContact O-N 3.18Å; N110-S112 VanDerWaalsContact C-N 3.33Å; N110-S112 PolarHBondContact O-N 2.68Å; N110-R113 PolarHBondContact O-N 2.96Å; N110-I114 WeakPolarHBondContact O-CD1 3.36Å; N110-I114 VanDerWaalsContact O-CG1 3.23Å; N110-I114 WeakPolarHBondContact O-CG1 3.23Å; N110-I114 PolarHBondContact O-N 3.13Å
111I94.5Very high94Very high3 Ų346.4 Ų46.42%0.01522%0.22CC..Hα-helixtrans-56.4-47.5169.2-62.5175.8000110.3V7 W8 M11 F106 T107 Q108 R113 I114 L115V7-I111 HydrophobicContact CG1-CD1 3.92Å; W8-I111 HydrophobicContact CD2-CG1 4.31Å; W8-I111 HydrophobicContact CD2-CG2 3.72Å; W8-I111 HydrophobicContact CE3-CG2 3.87Å; W8-I111 HydrophobicContact CG-CG2 4.12Å; W8-I111 HydrophobicContact CH2-CG1 4.5Å; W8-I111 HydrophobicContact CZ2-CB 4.44Å; W8-I111 HydrophobicContact CZ2-CG1 3.8Å; W8-I111 HydrophobicContact CZ2-CG2 4.4Å; W8-I111 HydrophobicContact CZ3-CG2 4.29Å; M11-I111 HydrophobicContact CE-CG2 4.39Å; M11-I111 HydrophobicContact SD-CB 4.28Å; M11-I111 HydrophobicContact SD-CG2 3.75Å; F106-I111 HydrophobicContact CB-CD1 4.09Å; F106-I111 HydrophobicContact CB-CG1 3.64Å; F106-I111 HydrophobicContact CG-CG1 4.44Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 3.15Å; Q108-I111 PolarHBondContact O-N 2.8Å; I111-R113 VanDerWaalsContact C-N 3.35Å; I111-R113 PolarHBondContact O-N 3.11Å; I111-I114 PolarHBondContact O-N 3.05Å; I111-L115 HydrophobicContact CG2-CD1 3.67Å; I111-L115 HydrophobicContact CG2-CG 4.21Å; I111-L115 WeakPolarHBondContact O-CB 3.42Å; I111-L115 WeakPolarHBondContact O-CG 3.38Å; I111-L115 PolarHBondContact O-N 3.32Å
112S93.9Very high94Very high25 Ų2542.2 Ų42.218%0.17520%0.201CC..Hα-helixtrans-55.5-48177.8-167.30000112M11 Q108 E109 N110 L115 K116M11-S112 VanDerWaalsContact CE-CB 3.5Å; Q108-S112 WeakPolarHBondContact O-CB 3.44Å; Q108-S112 PolarHBondContact O-N 3Å; E109-S112 VanDerWaalsContact O-CB 3.3Å; E109-S112 WeakPolarHBondContact O-CB 3.4Å; E109-S112 PolarHBondContact O-N 3.13Å; N110-S112 VanDerWaalsContact C-N 3.33Å; N110-S112 PolarHBondContact O-N 2.68Å; S112-L115 PolarHBondContact O-N 3.36Å; S112-K116 WeakPolarHBondContact O-CB 3.29Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.39Å; S112-K116 PolarHBondContact O-N 2.97Å
113R92.8Very high93.8Very high95 Ų9542.5 Ų42.536%0.35820%0.203SC..Hα-helixtrans-61.6-46.8179.9-70.5172.8-179-162.50.1111.7E109 N110 I111 L115 K116 N117E109-R113 WeakPolarHBondContact O-CG 3.35Å; E109-R113 PolarHBondContact O-N 2.74Å; E109-R113 IonicContact OE1-CZ 3.68Å; E109-R113 VanDerWaalsContact OE1-CZ 3.32Å; E109-R113 IonicContact OE1-NE 3.97Å; E109-R113 PolarHBondContact OE1-NE 3.41Å; E109-R113 IonicContact OE1-NH2 3.75Å; E109-R113 PolarHBondContact OE1-NH2 2.73Å; N110-R113 PolarHBondContact O-N 2.96Å; I111-R113 VanDerWaalsContact C-N 3.35Å; I111-R113 PolarHBondContact O-N 3.11Å; R113-L115 PolarHBondContact O-N 2.89Å; R113-K116 PolarHBondContact O-N 3.29Å; R113-N117 PolarHBondContact O-N 2.92Å; R113-N117 VanDerWaalsContact O-N 3.11Å
114I94.8Very high93.5Very high0 Ų043.9 Ų43.90%021%0.206CC..Hα-helixtrans-62.3-45179.2-62.4159.5000110.3W8 T49 F71 F106 N110 I111 N117 L118W8-I114 HydrophobicContact CH2-CB 3.98Å; W8-I114 HydrophobicContact CH2-CD1 3.56Å; W8-I114 HydrophobicContact CH2-CG1 4.39Å; W8-I114 HydrophobicContact CH2-CG2 3.79Å; W8-I114 HydrophobicContact CZ2-CD1 4.26Å; W8-I114 HydrophobicContact CZ3-CB 4.06Å; W8-I114 HydrophobicContact CZ3-CD1 4.48Å; W8-I114 HydrophobicContact CZ3-CG2 3.72Å; T49-I114 HydrophobicContact CG2-CD1 3.7Å; T49-I114 HydrophobicContact CG2-CG1 4.44Å; F71-I114 HydrophobicContact CE2-CG2 3.89Å; F71-I114 HydrophobicContact CZ-CG2 3.69Å; F106-I114 HydrophobicContact CD1-CD1 4.31Å; F106-I114 HydrophobicContact CE1-CD1 4.26Å; N110-I114 WeakPolarHBondContact O-CD1 3.36Å; N110-I114 VanDerWaalsContact O-CG1 3.23Å; N110-I114 WeakPolarHBondContact O-CG1 3.23Å; N110-I114 PolarHBondContact O-N 3.13Å; I111-I114 PolarHBondContact O-N 3.05Å; I114-N117 PolarHBondContact O-N 2.98Å; I114-L118 PolarHBondContact O-N 3.19Å
115L96.8Very high93.2Very high0 Ų047.7 Ų47.70%022%0.222CC..Hα-helixtrans-69.7-37.9-179.2-71178.3000113.1W8 M11 F12 L15 L27 I111 S112 R113 N117 L118 V119W8-L115 HydrophobicContact CE3-CD1 4.15Å; W8-L115 HydrophobicContact CE3-CD2 3.71Å; W8-L115 HydrophobicContact CE3-CG 3.84Å; W8-L115 HydrophobicContact CZ3-CD2 3.99Å; W8-L115 HydrophobicContact CZ3-CG 4.02Å; W8-L115 WeakPolarHBondContact O-CD1 3.35Å; M11-L115 HydrophobicContact CB-CD1 3.65Å; F12-L115 HydrophobicContact CB-CD1 4.08Å; F12-L115 HydrophobicContact CB-CD2 3.98Å; F12-L115 HydrophobicContact CD2-CD2 4.11Å; F12-L115 HydrophobicContact CG-CD2 4.42Å; L15-L115 HydrophobicContact CD1-CB 3.7Å; L27-L115 HydrophobicContact CD1-CD2 3.85Å; I111-L115 HydrophobicContact CG2-CD1 3.67Å; I111-L115 HydrophobicContact CG2-CG 4.21Å; I111-L115 WeakPolarHBondContact O-CB 3.42Å; I111-L115 WeakPolarHBondContact O-CG 3.38Å; I111-L115 PolarHBondContact O-N 3.32Å; S112-L115 PolarHBondContact O-N 3.36Å; R113-L115 PolarHBondContact O-N 2.89Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 2.85Å; L115-L118 HydrophobicContact CD2-CD2 4.03Å; L115-L118 WeakPolarHBondContact O-CB 3.35Å; L115-L118 PolarHBondContact O-N 3.45Å; L115-V119 WeakPolarHBondContact O-CG2 3.27Å; L115-V119 PolarHBondContact O-N 3.27Å
116K94.6Very high93.1Very high107 Ų10744.1 Ų44.147%0.46521%0.207SC..Hα-helixtrans-59.5-43.9172.5-77.1173.8178.8176.80111.3L15 S112 R113 L118 V119 F120L15-K116 HydrophobicContact CD1-CG 4Å; L15-K116 HydrophobicContact CD2-CG 4.03Å; S112-K116 WeakPolarHBondContact O-CB 3.29Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.39Å; S112-K116 PolarHBondContact O-N 2.97Å; R113-K116 PolarHBondContact O-N 3.29Å; K116-L118 PolarHBondContact O-N 3.46Å; K116-V119 PolarHBondContact O-N 3.03Å; K116-F120 WeakPolarHBondContact O-CB 3.17Å; K116-F120 PolarHBondContact O-N 3.08Å
117N94.3Very high92.8Very high5 Ų544.2 Ų44.23%0.02721%0.207CC..Hα-helixtrans-63.1-41.8174.6-76.3-11.2000111.7Y45 Q47 R113 I114 L115 F120 R121 I140Y45-N117 HydrophobicContact CE1-CB 4.33Å; Y45-N117 WeakPolarHBondContact OH-CB 3.49Å; Q47-N117 PolarHBondContact NE2-ND2 3.38Å; Q47-N117 PolarHBondContact OE1-ND2 2.71Å; R113-N117 PolarHBondContact O-N 2.92Å; R113-N117 VanDerWaalsContact O-N 3.11Å; I114-N117 PolarHBondContact O-N 2.98Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 2.85Å; N117-F120 PolarHBondContact O-N 3.49Å; N117-R121 VanDerWaalsContact O-CG 3.23Å; N117-R121 WeakPolarHBondContact O-CG 3.29Å; N117-R121 PolarHBondContact O-N 3.07Å; N117-I140 PolarHBondContact ND2-O 3.36Å; N117-I140 PolarHBondContact OD1-N 2.93Å
118L96.3Very high91.9Very high0 Ų048.6 Ų48.60%021%0.213CC..Hα-helixtrans-58.7-49.4173.6172.565.6000111.9F12 L27 Y45 F71 M73 V84 I114 L115 K116 F120 R121 I122F12-L118 HydrophobicContact CD2-CD2 3.89Å; F12-L118 HydrophobicContact CE2-CD2 3.7Å; F12-L118 HydrophobicContact CE2-CG 4.24Å; L27-L118 HydrophobicContact CD1-CD2 4.13Å; Y45-L118 HydrophobicContact CD1-CD1 4.16Å; F71-L118 HydrophobicContact CB-CD1 3.83Å; F71-L118 HydrophobicContact CD1-CD1 3.96Å; F71-L118 HydrophobicContact CD1-CD2 3.77Å; F71-L118 HydrophobicContact CD1-CG 4.42Å; F71-L118 HydrophobicContact CD2-CD1 4.12Å; F71-L118 HydrophobicContact CE1-CD2 3.72Å; F71-L118 HydrophobicContact CG-CD1 3.71Å; F71-L118 HydrophobicContact CG-CD2 4.35Å; F71-L118 HydrophobicContact CZ-CD2 4.29Å; M73-L118 HydrophobicContact CG-CD1 4.06Å; M73-L118 HydrophobicContact SD-CD1 3.58Å; M73-L118 VanDerWaalsContact SD-CD1 3.58Å; V84-L118 HydrophobicContact CG1-CD1 4.49Å; V84-L118 HydrophobicContact CG1-CD2 4.07Å; I114-L118 PolarHBondContact O-N 3.19Å; L115-L118 HydrophobicContact CD2-CD2 4.03Å; L115-L118 WeakPolarHBondContact O-CB 3.35Å; L115-L118 PolarHBondContact O-N 3.45Å; K116-L118 PolarHBondContact O-N 3.46Å; L118-F120 VanDerWaalsContact C-N 3.32Å; L118-F120 PolarHBondContact O-N 3.19Å; L118-R121 CarbonylContact O-C 3.54Å; L118-R121 WeakPolarHBondContact O-CA 3.27Å; L118-R121 WeakPolarHBondContact O-CB 3.14Å; L118-R121 PolarHBondContact O-N 2.99Å; L118-I122 HydrophobicContact CD1-CD1 4.29Å; L118-I122 HydrophobicContact CD1-CG1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.95Å
119V95.6Very high90.1Very high7 Ų745.9 Ų45.94%0.04222%0.222CC..Hα-helixtrans-60-43.6179.4171.10000110.9F12 L15 M16 V19 L115 K116 R121 I122 M123F12-V119 HydrophobicContact CD2-CG2 4.22Å; F12-V119 HydrophobicContact CE2-CG2 4.1Å; L15-V119 HydrophobicContact CB-CG2 3.92Å; M16-V119 HydrophobicContact CG-CG2 4.19Å; M16-V119 HydrophobicContact SD-CB 4.41Å; M16-V119 HydrophobicContact SD-CG1 4.06Å; M16-V119 HydrophobicContact SD-CG2 3.81Å; V19-V119 HydrophobicContact CB-CG1 4.43Å; V19-V119 HydrophobicContact CG2-CG1 3.97Å; L115-V119 WeakPolarHBondContact O-CG2 3.27Å; L115-V119 PolarHBondContact O-N 3.27Å; K116-V119 PolarHBondContact O-N 3.03Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.33Å; V119-I122 WeakPolarHBondContact O-CB 3.29Å; V119-I122 PolarHBondContact O-N 3.4Å; V119-I122 VanDerWaalsContact O-N 3.14Å; V119-M123 WeakPolarHBondContact O-CG 3.5Å; V119-M123 PolarHBondContact O-N 2.98Å
120F91.4Very high88.3Confident34 Ų3449 Ų4915%0.14923%0.229CC..Hα-helixtrans-56.7-43.1172.8176.9-101.5000112.1K116 N117 L118 M123 K124 L133 V137K116-F120 WeakPolarHBondContact O-CB 3.17Å; K116-F120 PolarHBondContact O-N 3.08Å; N117-F120 PolarHBondContact O-N 3.49Å; L118-F120 VanDerWaalsContact C-N 3.32Å; L118-F120 PolarHBondContact O-N 3.19Å; F120-M123 PolarHBondContact O-N 3.01Å; F120-K124 HydrophobicContact CE1-CD 4.3Å; F120-K124 HydrophobicContact CZ-CD 4.45Å; F120-K124 WeakPolarHBondContact O-CB 3.26Å; F120-K124 PolarHBondContact O-N 3.11Å; F120-L133 HydrophobicContact CE2-CD1 3.95Å; F120-V137 HydrophobicContact CD2-CB 4.31Å; F120-V137 HydrophobicContact CE2-CB 3.87Å
121R93.3Very high86.3Confident52 Ų5253.9 Ų53.920%0.19625%0.249CC..Hα-helixtrans-66.7-36.5176.5-67-67.9-164.817910.7112.7Y45 N117 L118 V119 K124 K125Y45-R121 HydrophobicContact CD1-CB 4.24Å; Y45-R121 HydrophobicContact CD1-CG 3.87Å; Y45-R121 HydrophobicContact CD2-CB 4.46Å; Y45-R121 HydrophobicContact CD2-CG 3.61Å; Y45-R121 HydrophobicContact CE1-CG 3.99Å; Y45-R121 HydrophobicContact CE2-CG 3.73Å; Y45-R121 VanDerWaalsContact CE2-NE 3.28Å; Y45-R121 HydrophobicContact CG-CB 4.11Å; Y45-R121 HydrophobicContact CG-CG 3.69Å; N117-R121 VanDerWaalsContact O-CG 3.23Å; N117-R121 WeakPolarHBondContact O-CG 3.29Å; N117-R121 PolarHBondContact O-N 3.07Å; L118-R121 CarbonylContact O-C 3.54Å; L118-R121 WeakPolarHBondContact O-CA 3.27Å; L118-R121 WeakPolarHBondContact O-CB 3.14Å; L118-R121 PolarHBondContact O-N 2.99Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.33Å; R121-K124 PolarHBondContact O-N 3.43Å; R121-K125 WeakPolarHBondContact O-CB 3.35Å; R121-K125 PolarHBondContact O-N 3.17Å
122I94.4Very high84Confident0 Ų062.1 Ų62.10%029%0.287CS..Hα-helixtrans-61.3-50173.1-68.8169.7000109.6F12 M16 W25 M73 V84 L118 V119 K124 K125 C126 Y127F12-I122 HydrophobicContact CE2-CD1 3.71Å; F12-I122 HydrophobicContact CZ-CD1 3.78Å; M16-I122 HydrophobicContact SD-CD1 4.02Å; M16-I122 HydrophobicContact SD-CG2 4.49Å; W25-I122 HydrophobicContact CD2-CD1 4.42Å; W25-I122 HydrophobicContact CD2-CG2 4.41Å; W25-I122 HydrophobicContact CE3-CD1 3.91Å; W25-I122 HydrophobicContact CH2-CD1 4.37Å; W25-I122 HydrophobicContact CH2-CG1 4.31Å; W25-I122 HydrophobicContact CH2-CG2 3.5Å; W25-I122 VanDerWaalsContact CH2-CG2 3.5Å; W25-I122 HydrophobicContact CZ2-CG2 3.32Å; W25-I122 HydrophobicContact CZ3-CD1 3.88Å; W25-I122 HydrophobicContact CZ3-CG1 4.21Å; W25-I122 HydrophobicContact CZ3-CG2 4.1Å; M73-I122 HydrophobicContact CG-CG1 4.26Å; M73-I122 HydrophobicContact SD-CD1 4.49Å; M73-I122 HydrophobicContact SD-CG1 3.52Å; M73-I122 VanDerWaalsContact SD-CG1 3.52Å; V84-I122 HydrophobicContact CG2-CD1 3.98Å; L118-I122 HydrophobicContact CD1-CD1 4.29Å; L118-I122 HydrophobicContact CD1-CG1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.95Å; V119-I122 WeakPolarHBondContact O-CB 3.29Å; V119-I122 PolarHBondContact O-N 3.4Å; V119-I122 VanDerWaalsContact O-N 3.14Å; I122-K124 VanDerWaalsContact C-N 3.29Å; I122-K124 PolarHBondContact O-N 3.4Å; I122-K125 PolarHBondContact O-N 3.32Å; I122-C126 HydrophobicContact CG2-CB 4.09Å; I122-C126 WeakPolarHBondContact O-CA 3.37Å; I122-C126 WeakPolarHBondContact O-CB 3.14Å; I122-C126 PolarHBondContact O-N 3.47Å; I122-Y127 HydrophobicContact CG2-CD2 4.14Å; I122-Y127 HydrophobicContact CG2-CE2 3.86Å
123M91.8Very high82Confident29 Ų2964.8 Ų64.814%0.14330%0.3CS..Hα-helixtrans-57.3-45.9177-66-50.711500111.2M16 V19 K20 V119 F120 Y127M16-M123 HydrophobicContact CE-CE 3.62Å; M16-M123 HydrophobicContact SD-CE 4.21Å; V19-M123 HydrophobicContact CG1-CE 3.95Å; V19-M123 HydrophobicContact CG1-CG 3.83Å; V19-M123 HydrophobicContact CG1-SD 3.5Å; V19-M123 VanDerWaalsContact CG1-SD 3.5Å; K20-M123 HydrophobicContact CG-CE 3.99Å; K20-M123 HydrophobicContact CG-SD 4.14Å; V119-M123 WeakPolarHBondContact O-CG 3.5Å; V119-M123 PolarHBondContact O-N 2.98Å; F120-M123 PolarHBondContact O-N 3.01Å; M123-Y127 HydrophobicContact CE-CD2 3.74Å; M123-Y127 HydrophobicContact CE-CE2 3.61Å; M123-Y127 HydrophobicContact SD-CD2 3.82Å; M123-Y127 HydrophobicContact SD-CE2 4.22Å
124K88.1Confident79.7Confident83 Ų8366.6 Ų66.636%0.36132%0.321SS..Hα-helixtrans-72.2-28-177.5-174.9168.1-175.2165.60114.3F120 R121 I122 R128F120-K124 HydrophobicContact CE1-CD 4.3Å; F120-K124 HydrophobicContact CZ-CD 4.45Å; F120-K124 WeakPolarHBondContact O-CB 3.26Å; F120-K124 PolarHBondContact O-N 3.11Å; R121-K124 PolarHBondContact O-N 3.43Å; I122-K124 VanDerWaalsContact C-N 3.29Å; I122-K124 PolarHBondContact O-N 3.4Å; K124-R128 WeakPolarHBondContact O-CD 3.39Å; K124-R128 WeakPolarHBondContact O-CG 3.35Å; K124-R128 PolarHBondContact O-NE 3.49Å
125K89.9Confident77.4Confident85 Ų8572.7 Ų72.737%0.3735%0.35SS..Hα-helixtrans-109-40.5-174.5-67.6-166.3174.9-172.40112.9M43 Q44 M73 R121 I122M43-K125 HydrophobicContact CB-CD 4.49Å; M43-K125 VanDerWaalsContact SD-C 3.59Å; M43-K125 HydrophobicContact SD-CB 3.61Å; Q44-K125 PolarHBondContact O-NZ 3.06Å; M73-K125 HydrophobicContact CE-CD 4.33Å; R121-K125 WeakPolarHBondContact O-CB 3.35Å; R121-K125 PolarHBondContact O-N 3.17Å; I122-K125 PolarHBondContact O-N 3.32Å
126C91.3Very high75Confident15 Ų1581.4 Ų81.410%0.10139%0.39CS..Hα-helixtrans-86.7-26.4-173.4-540000113.6W25 M43 W75 I122W25-C126 HydrophobicContact CH2-CB 4.23Å; W25-C126 HydrophobicContact CZ2-CB 4.32Å; M43-C126 HydrophobicContact CE-CB 3.99Å; M43-C126 WeakPolarHBondContact CE-SG 3.23Å; W75-C126 HydrophobicContact CB-CB 3.76Å; W75-C126 VanDerWaalsContact CD1-O 3.28Å; W75-C126 HydrophobicContact CG-CB 4.25Å; I122-C126 HydrophobicContact CG2-CB 4.09Å; I122-C126 WeakPolarHBondContact O-CA 3.37Å; I122-C126 WeakPolarHBondContact O-CB 3.14Å; I122-C126 PolarHBondContact O-N 3.47Å
127Y87.8Confident72.7Confident21 Ų2179.5 Ų79.58%0.08239%0.388CS..SBendtrans-11217.3-174.6-70.6-77.3000113.9K20 H23 W25 W75 I122 M123 G129K20-Y127 HydrophobicContact CG-CE2 4.45Å; H23-Y127 AromaticContact CE1-CE1 3.51Å; H23-Y127 AromaticContact ND1-CE1 3.34Å; H23-Y127 VanDerWaalsContact ND1-CE1 3.34Å; H23-Y127 WeakPolarHBondContact ND1-CE1 3.38Å; H23-Y127 AromaticContact ND1-CZ 3.39Å; H23-Y127 PolarHBondContact ND1-OH 2.87Å; W25-Y127 AromaticContact CZ2-CE2 3.84Å; W25-Y127 HydrophobicContact CZ2-CE2 3.84Å; W25-Y127 AromaticContact NE1-CE2 3.93Å; W25-Y127 AromaticContact NE1-CZ 3.83Å; W25-Y127 PolarHBondContact NE1-OH 3.3Å; W75-Y127 AromaticContact CD2-CE1 4Å; W75-Y127 HydrophobicContact CD2-CE1 4Å; W75-Y127 AromaticContact CD2-CZ 3.9Å; W75-Y127 AromaticContact CE2-CE1 3.45Å; W75-Y127 VanDerWaalsContact CE2-CE1 3.45Å; W75-Y127 AromaticContact CE2-CZ 3.84Å; W75-Y127 HydrophobicContact CE3-CE1 4.37Å; W75-Y127 AromaticContact CE3-CZ 3.89Å; W75-Y127 VanDerWaalsContact CE3-OH 3.29Å; W75-Y127 AromaticContact CH2-CE1 3.8Å; W75-Y127 HydrophobicContact CH2-CE1 3.8Å; W75-Y127 AromaticContact CH2-CZ 3.8Å; W75-Y127 WeakPolarHBondContact CH2-OH 3.12Å; W75-Y127 HydrophobicContact CZ2-CD1 4.4Å; W75-Y127 AromaticContact CZ2-CE1 3.36Å; W75-Y127 HydrophobicContact CZ2-CE1 3.36Å; W75-Y127 AromaticContact CZ2-CZ 3.81Å; W75-Y127 HydrophobicContact CZ3-CE1 4.28Å; W75-Y127 AromaticContact CZ3-CZ 3.85Å; W75-Y127 WeakPolarHBondContact CZ3-OH 3.42Å; W75-Y127 AromaticContact NE1-CE1 3.88Å; I122-Y127 HydrophobicContact CG2-CD2 4.14Å; I122-Y127 HydrophobicContact CG2-CE2 3.86Å; M123-Y127 HydrophobicContact CE-CD2 3.74Å; M123-Y127 HydrophobicContact CE-CE2 3.61Å; M123-Y127 HydrophobicContact SD-CD2 3.82Å; M123-Y127 HydrophobicContact SD-CE2 4.22Å; Y127-G129 PolarHBondContact O-N 3.04Å
128R72.3Confident70.3Confident182 Ų18284.2 Ų84.269%0.68742%0.419SS*.THydrogen-bonded Turntrans-60.1131.1177.8-83.8-174.5-171.8-154.25.4110.6K124K124-R128 WeakPolarHBondContact O-CD 3.39Å; K124-R128 WeakPolarHBondContact O-CG 3.35Å; K124-R128 PolarHBondContact O-NE 3.49Å
129G56.8Low68.1Low79 Ų7987.5 Ų87.581%0.81444%0.435SS*.THydrogen-bonded Turntrans129.4-17.2178.800000114.7Y127Y127-G129 PolarHBondContact O-N 3.04Å
130R52.2Low66.2Low184 Ų18490.8 Ų90.869%0.69445%0.451SS*.SBendtrans-133.83.3-174.8-54-169.8-158.5-157.84.7116.1E77E77-R130 IonicContact OE1-CZ 3.53Å; E77-R130 IonicContact OE1-NE 3.01Å; E77-R130 IonicContact OE1-NH2 2.62Å; E77-R130 PolarHBondContact OE1-NH2 3.39Å
131F50.3Low64.1Low126 Ų12697.6 Ų97.655%0.55348%0.481SS*.  trans-143.1109.6-178.6-59.9-80.3000109.7L133F131-L133 PolarHBondContact O-N 3.17Å
132Q45.5Very low62Low175 Ų17597.1 Ų97.182%0.81848%0.482SS*.  trans-69.5114.4147.6-92.898.88.300105.7T134Q132-T134 PolarHBondContact O-N 3.41Å; Q132-T134 PolarHBondContact O-OG1 3.1Å
133L51Low59.8Low82 Ų82102.3 Ų102.343%0.42951%0.509SS..  trans-64.296.8156.5-89.9148.9000105F120 F131 E135 V137F120-L133 HydrophobicContact CE2-CD1 3.95Å; F131-L133 PolarHBondContact O-N 3.17Å; L133-E135 PolarHBondContact O-N 3.12Å; L133-E135 VanDerWaalsContact O-N 3.1Å; L133-V137 HydrophobicContact CD2-CG2 4.19Å
134T44.7Very low57.8Low133 Ų133104.8 Ų104.882%0.81653%0.529SS*.SBendtrans-64.2-14.1-171.8-42.40000112.7Q132Q132-T134 PolarHBondContact O-N 3.41Å; Q132-T134 PolarHBondContact O-OG1 3.1Å
135E47.2Very low56.3Low127 Ų127102.7 Ų102.759%0.59352%0.522SS*.SBendtrans-128135163.3-72.8178.6166.300108.3L133 V137 I182L133-E135 PolarHBondContact O-N 3.12Å; L133-E135 VanDerWaalsContact O-N 3.1Å; E135-V137 PolarHBondContact O-N 2.7Å; E135-I182 WeakPolarHBondContact OE2-CD1 3.36Å
136E46.4Very low54.7Low183 Ų183107 Ų10786%0.85554%0.543SS*.  trans-60.386.3165.8-68.4-170.3154.600107.7P138E136-P138 WeakPolarHBondContact O-CD 3.26Å
137V45.7Very low53.5Low68 Ų68108.3 Ų108.341%0.41256%0.559SS.*  trans-53.1112.5168.5176.70000104.6F120 L133 E135 M139F120-V137 HydrophobicContact CD2-CB 4.31Å; F120-V137 HydrophobicContact CE2-CB 3.87Å; L133-V137 HydrophobicContact CD2-CG2 4.19Å; E135-V137 PolarHBondContact O-N 2.7Å; V137-M139 PolarHBondContact O-N 2.62Å
138P43.9Very low52.9Low104 Ų104111.6 Ų111.668%0.67558%0.583SS**  trans-59.6119.9-179.4-19.431.2000104.5E136 I140E136-P138 WeakPolarHBondContact O-CD 3.26Å; P138-I140 PolarHBondContact O-N 2.71Å
139M49.7Very low53.6Low68 Ų68105 Ų10534%0.33556%0.56SS.*  trans-41.8126160.6-179.1-171.1-28.900104.9V137 K141V137-M139 PolarHBondContact O-N 2.62Å; M139-K141 WeakPolarHBondContact O-CA 3.43Å; M139-K141 PolarHBondContact O-N 3.42Å
140I55.9Low55.1Low77 Ų77103.3 Ų103.340%0.39553%0.532SS..  trans-53.8104.4176-62.8173000103.1N117 P138 D142N117-I140 PolarHBondContact ND2-O 3.36Å; N117-I140 PolarHBondContact OD1-N 2.93Å; P138-I140 PolarHBondContact O-N 2.71Å; I140-D142 PolarHBondContact O-N 3.4Å
141K47.3Very low57Low176 Ų17697.3 Ų97.377%0.76552%0.519SS*.  trans-55.5124.6-172.1-80-175.8178.91780102.4M139 I143M139-K141 WeakPolarHBondContact O-CA 3.43Å; M139-K141 PolarHBondContact O-N 3.42Å; K141-I143 PolarHBondContact O-N 2.89Å
142D50.4Low58.9Low42 Ų4297.2 Ų97.223%0.22552%0.524CS..  trans-51.4105.8160.5-91.9-15.6000102.4Q47 W48 I140 S144 R164Q47-D142 PolarHBondContact NE2-OD1 2.61Å; W48-D142 VanDerWaalsContact O-CG 3.25Å; I140-D142 PolarHBondContact O-N 3.4Å; D142-S144 PolarHBondContact O-N 3.49Å; D142-S144 VanDerWaalsContact O-N 3.1Å; D142-R164 VanDerWaalsContact CB-NH2 3.35Å; D142-R164 IonicContact OD2-CZ 3.4Å; D142-R164 IonicContact OD2-NH1 2.75Å; D142-R164 IonicContact OD2-NH2 3.47Å
143I48.8Very low61.3Low110 Ų11089.9 Ų89.956%0.56449%0.49SS*.  trans-41.7128163.1-61.5169.9000102.3K141 L145K141-I143 PolarHBondContact O-N 2.89Å; I143-L145 HydrophobicContact CB-CD2 4.32Å; I143-L145 VanDerWaalsContact O-CG 3.29Å; I143-L145 WeakPolarHBondContact O-CG 3.21Å; I143-L145 PolarHBondContact O-N 2.99Å
144S49Very low63.4Low80 Ų8086 Ų8656%0.55947%0.47SS*.  trans-50104170.9-176.60000104.1D142 E146D142-S144 PolarHBondContact O-N 3.49Å; D142-S144 VanDerWaalsContact O-N 3.1Å; S144-E146 PolarHBondContact O-N 2.84Å
145L57.4Low65.8Low40 Ų4081 Ų8121%0.20944%0.437CS..  trans-78.975.9-174.7-70177.6000101.6F50 A65 I143 G147F50-L145 HydrophobicContact CB-CD1 4.06Å; F50-L145 HydrophobicContact CB-CD2 4.4Å; A65-L145 HydrophobicContact CB-CB 3.85Å; A65-L145 VanDerWaalsContact CB-O 3.27Å; A65-L145 WeakPolarHBondContact CB-O 3.46Å; A65-L145 WeakPolarHBondContact O-CB 3.3Å; A65-L145 WeakPolarHBondContact O-CD1 2.99Å; I143-L145 HydrophobicContact CB-CD2 4.32Å; I143-L145 VanDerWaalsContact O-CG 3.29Å; I143-L145 WeakPolarHBondContact O-CG 3.21Å; I143-L145 PolarHBondContact O-N 2.99Å; L145-G147 PolarHBondContact O-N 3.43Å
146E56Low68Low175 Ų17575 Ų7582%0.81841%0.409SS*.  trans-67.3117.1169.3-72.1179.9-170.700104.6S144S144-E146 PolarHBondContact O-N 2.84Å
147G66.1Low70.3Confident43 Ų4367.8 Ų67.844%0.44338%0.379SS..SBendtrans168.9176.7-175.800000111.8L145 H149L145-G147 PolarHBondContact O-N 3.43Å; G147-H149 PolarHBondContact O-N 3.01Å
148P74.9Confident72.6Confident90 Ų9069 Ų6958%0.58438%0.382SS*.  trans-62.7122.4-173.124.7-33.2000110.7S64 A65S64-P148 VanDerWaalsContact CA-O 3.3Å; S64-P148 WeakPolarHBondContact CA-O 3.4Å; S64-P148 PolarHBondContact OG-O 3.29Å; S64-P148 VanDerWaalsContact OG-O 3.13Å; A65-P148 PolarHBondContact N-O 2.7Å; A65-P148 VanDerWaalsContact N-O 3.15Å
149H85.8Confident74.9Confident42 Ų4267.5 Ų67.519%0.19437%0.367CS..  trans-128.8121164.6-176.660.5000108.5Q66 G147 C154 C157 C162Q66-H149 HydrophobicContact CB-CB 4.05Å; Q66-H149 WeakPolarHBondContact CB-ND1 3.45Å; Q66-H149 HydrophobicContact CG-CB 4.2Å; Q66-H149 PolarHBondContact O-CE1 2.93Å; Q66-H149 PolarHBondContact O-ND1 3.49Å; Q66-H149 PolarHBondContact OE1-CD2 3.05Å; G147-H149 PolarHBondContact O-N 3.01Å; H149-C154 VanDerWaalsContact CE1-SG 3.57Å; H149-C157 PolarHBondContact NE2-SG 3.01Å; H149-C162 PolarHBondContact NE2-SG 3.24Å; H149-C162 VanDerWaalsContact NE2-SG 3.38Å
150N89.2Confident76.8Confident44 Ų4467.3 Ų67.324%0.23538%0.382CS..  trans-104.490.1-179.2179-4.9000108.3D152 N153 C154N150-D152 VanDerWaalsContact C-N 3.27Å; N150-D152 PolarHBondContact O-N 3.41Å; N150-N153 HydrophobicContact CB-CB 4.45Å; N150-N153 VanDerWaalsContact CG-ND2 3.27Å; N150-N153 PolarHBondContact ND2-ND2 3.13Å; N150-N153 CarbonylContact O-C 3.57Å; N150-N153 PolarHBondContact O-N 3.39Å; N150-N153 PolarHBondContact OD1-ND2 3.01Å; N150-C154 PolarHBondContact O-N 3.37Å; N150-C154 VanDerWaalsContact O-N 3.15Å
151S90.9Very high78.4Confident59 Ų5966.1 Ų66.141%0.41337%0.374SS..G310 helixtrans-58-38-173.5-53.20000112.8N153 C154 C157S151-N153 PolarHBondContact O-N 3.29Å; S151-N153 VanDerWaalsContact O-N 3.11Å; S151-C154 PolarHBondContact O-N 2.87Å; S151-C157 VanDerWaalsContact CA-SG 3.6Å; S151-C157 WeakPolarHBondContact O-CB 3.44Å
152D92.2Very high80.1Confident123 Ų12358.7 Ų58.766%0.65834%0.344SS*.G310 helixtrans-63.5-21.7-179.9-55.8-28.3000113R92 N150R92-D152 PolarHBondContact NH2-O 2.97Å; N150-D152 VanDerWaalsContact C-N 3.27Å; N150-D152 PolarHBondContact O-N 3.41Å
153N94.6Very high81Confident21 Ų2160.3 Ų60.311%0.11236%0.363CS..G310 helixtrans-112.31.9-177.2-69.1-86000112.7Q91 R92 N150 S151Q91-N153 CarbonylContact C-O 3.58Å; Q91-N153 VanDerWaalsContact CA-O 3.28Å; Q91-N153 WeakPolarHBondContact CA-O 3.42Å; R92-N153 HydrophobicContact CB-CB 4.01Å; R92-N153 PolarHBondContact N-O 3.11Å; R92-N153 WeakPolarHBondContact O-CB 3.28Å; N150-N153 HydrophobicContact CB-CB 4.45Å; N150-N153 VanDerWaalsContact CG-ND2 3.27Å; N150-N153 PolarHBondContact ND2-ND2 3.13Å; N150-N153 CarbonylContact O-C 3.57Å; N150-N153 PolarHBondContact O-N 3.39Å; N150-N153 PolarHBondContact OD1-ND2 3.01Å; S151-N153 PolarHBondContact O-N 3.29Å; S151-N153 VanDerWaalsContact O-N 3.11Å
154C95.1Very high81.7Confident1 Ų159.3 Ų59.31%0.00735%0.352CS..BIsolated β-bridgetrans-92.8127.4179.2178.60000111.7Q91 H149 N150 S151 A156 C157 L158Q91-C154 HydrophobicContact CG-CB 4.37Å; H149-C154 VanDerWaalsContact CE1-SG 3.57Å; N150-C154 PolarHBondContact O-N 3.37Å; N150-C154 VanDerWaalsContact O-N 3.15Å; S151-C154 PolarHBondContact O-N 2.87Å; C154-A156 VanDerWaalsContact C-N 3.32Å; C154-A156 PolarHBondContact O-N 2.86Å; C154-C157 HydrophobicContact CB-CB 3.98Å; C154-C157 PolarHBondContact O-N 3.37Å; C154-C157 VanDerWaalsContact O-N 3.13Å; C154-L158 WeakPolarHBondContact O-CD1 3.26Å; C154-L158 VanDerWaalsContact O-CG 3.27Å; C154-L158 WeakPolarHBondContact O-CG 3.49Å; C154-L158 PolarHBondContact O-N 3.35Å
155E95.8Very high81.6Confident28 Ų2860.8 Ų60.813%0.13136%0.362CS..Hα-helixtrans-55.4-47.4177.6-173.7-175.1-166.200111.3R87 F89 T90 F101 C157 L158 E159R87-E155 IonicContact CZ-OE1 3.77Å; R87-E155 IonicContact NE-OE1 3.37Å; R87-E155 IonicContact NH2-OE1 2.93Å; R87-E155 PolarHBondContact NH2-OE1 3.43Å; F89-E155 WeakPolarHBondContact CA-OE2 3.37Å; F89-E155 HydrophobicContact CB-CB 4.47Å; F89-E155 HydrophobicContact CD1-CB 4.21Å; F89-E155 HydrophobicContact CD1-CG 3.98Å; T90-E155 WeakPolarHBondContact CB-OE2 3.44Å; T90-E155 PolarHBondContact N-OE2 3.13Å; T90-E155 VanDerWaalsContact O-CB 3.25Å; T90-E155 WeakPolarHBondContact O-CB 3.45Å; T90-E155 PolarHBondContact O-N 2.96Å; T90-E155 VanDerWaalsContact OG1-CD 3.24Å; T90-E155 PolarHBondContact OG1-OE2 2.93Å; F101-E155 HydrophobicContact CD1-CB 3.91Å; F101-E155 HydrophobicContact CD1-CG 4.48Å; F101-E155 HydrophobicContact CE1-CB 3.54Å; F101-E155 HydrophobicContact CE1-CG 4.18Å; F101-E155 HydrophobicContact CZ-CB 4.18Å; F101-E155 HydrophobicContact CZ-CG 4.42Å; E155-C157 VanDerWaalsContact C-N 3.3Å; E155-C157 PolarHBondContact O-N 3.15Å; E155-L158 PolarHBondContact O-N 3.39Å; E155-E159 WeakPolarHBondContact O-CG 3.5Å; E155-E159 PolarHBondContact O-N 2.97Å
156A94.1Very high80.3Confident0 Ų068.5 Ų68.50%039%0.394CS..Hα-helixtrans-63.6-34179.800000112.8L68 F89 C154 G160 F161 C162L68-A156 HydrophobicContact CB-CB 4.09Å; L68-A156 HydrophobicContact CD2-CB 3.95Å; F89-A156 HydrophobicContact CB-CB 4.05Å; F89-A156 HydrophobicContact CD1-CB 3.65Å; F89-A156 HydrophobicContact CE1-CB 4.2Å; F89-A156 HydrophobicContact CG-CB 3.84Å; C154-A156 VanDerWaalsContact C-N 3.32Å; C154-A156 PolarHBondContact O-N 2.86Å; A156-G160 PolarHBondContact O-N 3.31Å; A156-F161 HydrophobicContact CB-CB 4.47Å; A156-F161 WeakPolarHBondContact O-CA 3.31Å; A156-F161 PolarHBondContact O-N 2.68Å; A156-C162 HydrophobicContact CB-CB 3.91Å; A156-C162 PolarHBondContact O-N 3.39Å; A156-C162 VanDerWaalsContact O-N 3.11Å
157C93.5Very high79.8Confident33 Ų3369.6 Ų69.622%0.22340%0.399CS..Hα-helixtrans-68.8-45.1176-74.20000111.1H149 S151 C154 E155 E159 G160 C162H149-C157 PolarHBondContact NE2-SG 3.01Å; S151-C157 VanDerWaalsContact CA-SG 3.6Å; S151-C157 WeakPolarHBondContact O-CB 3.44Å; C154-C157 HydrophobicContact CB-CB 3.98Å; C154-C157 PolarHBondContact O-N 3.37Å; C154-C157 VanDerWaalsContact O-N 3.13Å; E155-C157 VanDerWaalsContact C-N 3.3Å; E155-C157 PolarHBondContact O-N 3.15Å; C157-E159 VanDerWaalsContact C-N 3.25Å; C157-E159 PolarHBondContact O-N 3.3Å; C157-G160 PolarHBondContact O-N 3Å; C157-C162 HydrophobicContact CB-CB 4.14Å; C157-C162 WeakPolarHBondContact SG-CB 3.3Å; C157-C162 VanDerWaalsContact SG-SG 3.61Å
158L93.6Very high78Confident92 Ų9274.2 Ų74.248%0.48242%0.418SS..Hα-helixtrans-65.1-31.8-179.1-64.7165.4000111.8F101 C154 E155 G160F101-L158 HydrophobicContact CE1-CD1 4.23Å; F101-L158 HydrophobicContact CZ-CD1 3.74Å; C154-L158 WeakPolarHBondContact O-CD1 3.26Å; C154-L158 VanDerWaalsContact O-CG 3.27Å; C154-L158 WeakPolarHBondContact O-CG 3.49Å; C154-L158 PolarHBondContact O-N 3.35Å; E155-L158 PolarHBondContact O-N 3.39Å; L158-G160 VanDerWaalsContact C-N 3.34Å
159E92Very high76.1Confident74 Ų7476 Ų7635%0.34643%0.428SS..THydrogen-bonded Turntrans-85.5-1.6172.7-64.8-174-175.100113.5R87 E155 C157 F161R87-E159 IonicContact CZ-OE1 3.32Å; R87-E159 IonicContact CZ-OE2 3.96Å; R87-E159 IonicContact NH1-OE2 3.81Å; R87-E159 PolarHBondContact NH1-OE2 3.24Å; R87-E159 IonicContact NH2-OE1 2.66Å; R87-E159 PolarHBondContact NH2-OE1 3.3Å; R87-E159 IonicContact NH2-OE2 3.73Å; R87-E159 PolarHBondContact NH2-OE2 2.85Å; E155-E159 WeakPolarHBondContact O-CG 3.5Å; E155-E159 PolarHBondContact O-N 2.97Å; C157-E159 VanDerWaalsContact C-N 3.25Å; C157-E159 PolarHBondContact O-N 3.3Å; E159-F161 HydrophobicContact CB-CD2 3.48Å; E159-F161 VanDerWaalsContact CB-CD2 3.48Å; E159-F161 HydrophobicContact CB-CE2 3.57Å; E159-F161 HydrophobicContact CB-CG 4.42Å; E159-F161 HydrophobicContact CG-CE2 4.44Å; E159-F161 WeakPolarHBondContact OE2-CD2 3.46Å; E159-F161 WeakPolarHBondContact OE2-CE2 3.5Å
160G90.8Very high73.9Confident63 Ų6379.1 Ų79.165%0.64945%0.454SS*.THydrogen-bonded Turntrans78.514.4177.800000115.6A156 C157 L158A156-G160 PolarHBondContact O-N 3.31Å; C157-G160 PolarHBondContact O-N 3Å; L158-G160 VanDerWaalsContact C-N 3.34Å
161F89.2Confident71Confident52 Ų5285 Ų8523%0.22849%0.485CS..  trans-97-12.1-177.5-58.8-47.8000114.7L34 P35 L68 F89 A156 E159 A163L34-F161 HydrophobicContact CD2-CE2 3.99Å; L34-F161 HydrophobicContact CD2-CZ 4.25Å; P35-F161 HydrophobicContact CB-CD1 3.79Å; P35-F161 HydrophobicContact CB-CE1 4.02Å; P35-F161 HydrophobicContact CB-CG 4.17Å; P35-F161 HydrophobicContact CG-CB 3.99Å; P35-F161 HydrophobicContact CG-CD1 3.7Å; P35-F161 HydrophobicContact CG-CD2 3.77Å; P35-F161 HydrophobicContact CG-CE1 4.08Å; P35-F161 HydrophobicContact CG-CE2 4.13Å; P35-F161 HydrophobicContact CG-CG 3.54Å; P35-F161 HydrophobicContact CG-CZ 4.29Å; L68-F161 HydrophobicContact CD2-CB 4.07Å; F89-F161 AromaticContact CE1-CD2 4Å; F89-F161 HydrophobicContact CE1-CD2 4Å; F89-F161 HydrophobicContact CZ-CD2 4.09Å; A156-F161 HydrophobicContact CB-CB 4.47Å; A156-F161 WeakPolarHBondContact O-CA 3.31Å; A156-F161 PolarHBondContact O-N 2.68Å; E159-F161 HydrophobicContact CB-CD2 3.48Å; E159-F161 VanDerWaalsContact CB-CD2 3.48Å; E159-F161 HydrophobicContact CB-CE2 3.57Å; E159-F161 HydrophobicContact CB-CG 4.42Å; E159-F161 HydrophobicContact CG-CE2 4.44Å; E159-F161 WeakPolarHBondContact OE2-CD2 3.46Å; E159-F161 WeakPolarHBondContact OE2-CE2 3.5Å; F161-A163 PolarHBondContact O-N 3.46Å
162C83.6Confident68.1Low20 Ų2087.7 Ų87.714%0.13550%0.501CS..  trans-83.952.9-175.5-155.70000113.5H149 A156 C157 R164H149-C162 PolarHBondContact NE2-SG 3.24Å; H149-C162 VanDerWaalsContact NE2-SG 3.38Å; A156-C162 HydrophobicContact CB-CB 3.91Å; A156-C162 PolarHBondContact O-N 3.39Å; A156-C162 VanDerWaalsContact O-N 3.11Å; C157-C162 HydrophobicContact CB-CB 4.14Å; C157-C162 WeakPolarHBondContact SG-CB 3.3Å; C157-C162 VanDerWaalsContact SG-SG 3.61Å; C162-R164 PolarHBondContact O-N 2.86Å; C162-R164 VanDerWaalsContact O-N 3.1Å
163A69.3Low65.6Low76 Ų7691.5 Ų91.563%0.62852%0.515SS*.  trans-80.989.1176.800000111W48 F161W48-A163 WeakPolarHBondContact CZ2-O 3.34Å; F161-A163 PolarHBondContact O-N 3.46Å
164R62.9Low62.8Low90 Ų9095.2 Ų95.234%0.3454%0.542SS..  trans-135.667.1163.5-150.2-178.9-171.2-173.14.1110.8W48 D142 C162W48-R164 HydrophobicContact CZ2-CB 4.45Å; D142-R164 VanDerWaalsContact CB-NH2 3.35Å; D142-R164 IonicContact OD2-CZ 3.4Å; D142-R164 IonicContact OD2-NH1 2.75Å; D142-R164 IonicContact OD2-NH2 3.47Å; C162-R164 PolarHBondContact O-N 2.86Å; C162-R164 VanDerWaalsContact O-N 3.1Å
165S45.8Very low59.7Low110 Ų110103.7 Ų103.777%0.76958%0.582SS**  trans-148.182.7177.741.50000112.2
166K31.7Very low56.8Low203 Ų203109 Ų10988%0.88362%0.617SS**  trans-135.4115.6138-70.9-163.5178.6-175.40107.9
167Q44.2Very low53.8Low198 Ų198115 Ų11593%0.92566%0.655SS**  trans-50.4133.7175.5-66.2164.9-35.100110.2
168V29.9Very low50.8Low139 Ų139123.3 Ų123.384%0.84268%0.682SS**  trans-126.4120.1154.5179.80000107.2
169T33.1Very low47.9Very low127 Ų127125.7 Ų125.778%0.77970%0.7SS**  trans-51.3141-179.6-100000112.3
170S41.2Very low45Very low108 Ų108130.8 Ų130.876%0.75572%0.717SS**  trans-36.2132.4173.1510000116.7
171L28.2Very low42.6Very low168 Ų168133.2 Ų133.288%0.8872%0.724SS**  trans-148.8154.6149.2-87.9174.2000109.5
172P29.6Very low40.2Very low116 Ų116135.1 Ų135.175%0.75374%0.736SS**  trans-86.9152.9-138.5-3.821.2000115.5S174P172-S174 PolarHBondContact O-N 3.43Å
173Q39.8Very low37.9Very low202 Ų202141.7 Ų141.794%0.94476%0.759SS**  trans-56.9123.3168.4-81172.8-3400111.8
174S35.3Very low36.1Very low99 Ų99147.9 Ų147.969%0.69277%0.772SS**  trans-158147.7143.161.10000111.2P172P172-S174 PolarHBondContact O-N 3.43Å
175Q29.6Very low34.6Very low179 Ų179149.7 Ų149.784%0.83679%0.793SS**  trans90.4100.4165.5-51.1-177.615.100116.9P177Q175-P177 WeakPolarHBondContact O-CD 3.47Å
176T34.8Very low33.9Very low140 Ų140153.5 Ų153.586%0.85980%0.798SS**PPolyproline II helixtrans-61123.6160.447.70000110.8
177P31.1Very low34Very low125 Ų125152.7 Ų152.781%0.81280%0.798SS**PPolyproline II helixtrans-88.7124.6167.6-5.324.7000110.2Q175Q175-P177 WeakPolarHBondContact O-CD 3.47Å
178R30.6Very low33.4Very low209 Ų209146.8 Ų146.879%0.78979%0.79SS**PPolyproline II helixtrans-59143.5166.1-77.4178.8178.7178.1-0.4110.3Y180R178-Y180 HydrophobicContact CB-CD2 4.48Å; R178-Y180 HydrophobicContact CB-CE2 3.99Å; R178-Y180 PolarHBondContact O-N 3.31Å
179V32.3Very low33.3Very low141 Ų141147.4 Ų147.486%0.85579%0.793SS**PPolyproline II helixtrans-62.3122.3173177.70000109.3
180Y33Very low33.4Very low181 Ų181149.7 Ų149.771%0.7180%0.795SS**  trans-123134.3164.3-76.4-77000111.2R178R178-Y180 HydrophobicContact CB-CD2 4.48Å; R178-Y180 HydrophobicContact CB-CE2 3.99Å; R178-Y180 PolarHBondContact O-N 3.31Å
181S40.1Very low32.9Very low114 Ų114149.7 Ų149.780%0.79779%0.792SS**  trans-73123.8172.7143.70000109.5
182I37.4Very low32.7Very low93 Ų93153.7 Ų153.748%0.47780%0.796SS.*  trans-138.794.4165.1-51.7-179.8000109.5E135E135-I182 WeakPolarHBondContact OE2-CD1 3.36Å
183Y36.7Very low32.7Very low158 Ų158153 Ų15362%0.6280%0.8SS**  trans-137.696148.8-55.1-72.3000107V19V19-Y183 HydrophobicContact CG1-CE1 4.32Å; V19-Y183 HydrophobicContact CG2-CE1 4.03Å; V19-Y183 HydrophobicContact CG2-CE2 4.19Å
184K31.5Very low32Very low206 Ų206148.5 Ų148.590%0.89679%0.791SS**  trans-85.8121.8157.9-89.1-162.9174.4-175.50107.4
185V30.3Very low31.6Very low128 Ų128154.2 Ų154.278%0.77680%0.797SS**  trans-79.1114.3167173.90000106.4E187V185-E187 HydrophobicContact CG1-CG 4.43Å
186E31.2Very low31.6Very low190 Ų190154 Ų15489%0.88879%0.793SS**  trans-93.9120.3158.4-84.6-177157.800108.2
187E34.7Very low31.3Very low186 Ų186154.7 Ų154.787%0.86979%0.792SS**  trans-79.8133.6167.6-77.2-177.2146.800110V185V185-E187 HydrophobicContact CG1-CG 4.43Å
188G31.6Very low31.1Very low73 Ų73155.4 Ų155.475%0.75379%0.794SS**  trans91.1108.1143.900000117.9
189V28.4Very low31Very low152 Ų152150.6 Ų150.692%0.92179%0.791SS**  trans-136.3112.8137.5-179.40000108.2
190E33.5Very low30.7Very low176 Ų176146.6 Ų146.682%0.82277%0.77SS**PPolyproline II helixtrans-74.7161.9169.1-95.3-85.8140.200111.7
191P31.4Very low30.5Very low107 Ų107147.9 Ų147.970%0.69577%0.774SS**PPolyproline II helixtrans-80.2172.3-170.7-8.828000115.4
192W24.9Very low29.9Very low253 Ų253150.5 Ų150.596%0.95878%0.778SS**PPolyproline II helixtrans-53.7135.3-166.1-66.3-12.7000119.2
193A28.2Very low29.6Very low100 Ų100152.7 Ų152.783%0.82679%0.79SS**  trans43.7111.213100000121
194S25.9Very low29.2Very low109 Ų109152.4 Ų152.476%0.76279%0.794SS**  -161111.9125.5-159.60000113
195R27.1Very low29.3Very low219 Ų219149.2 Ų149.283%0.82679%0.787SS**  trans45.8105.1139.3-116.6-177.3-84-165.6-7.5119.8
196K30.3Very low29.7Very low173 Ų173151.9 Ų151.975%0.75279%0.791SS**  139.3128.5114.2-76.6-174.5-179.4177.60114
197N27.9Very low30.3Very low155 Ų155150.4 Ų150.483%0.82979%0.787SS**  trans90.7103.8151.7-57.2-16.9000118.8
198V26.9Very low30.5Very low140 Ų140146.7 Ų146.785%0.84878%0.78SS**  trans-59.9133160.71730000110.8
199C27.4Very low31Very low109 Ų109154.8 Ų154.874%0.73679%0.788SS**  trans166.1137.2138.9-100.90000106.1
200S26.7Very low31.8Very low57 Ų57154.3 Ų154.340%0.39978%0.78SS.*  cis167.8160-7.634.30000103.5
201Y28.3Very low32.5Very low207 Ų207151.8 Ų151.881%0.81278%0.777SS**  trans55.2105.5165.834.7-101.5000119.2L203Y201-L203 PolarHBondContact O-N 2.66Å
202I28.9Very low33.5Very low170 Ų170151.5 Ų151.587%0.87278%0.777SS**  trans-35117.6146.5-63167.1000111
203L29.6Very low34.8Very low138 Ų138145.8 Ų145.872%0.72376%0.764SS**  -180148.6125-154.161.7000110.5Y201Y201-L203 PolarHBondContact O-N 2.66Å
204Q29.1Very low35.7Very low153 Ų153149.2 Ų149.272%0.71576%0.761SS**  trans76.3106.4166.8-79.7142.7-58.500118.3
205N32.7Very low36.9Very low138 Ų138147.9 Ų147.974%0.73875%0.751SS**  177.375.2115.1-83-23.1000111.4
206H39.7Very low38.1Very low185 Ų185141.4 Ų141.486%0.85674%0.738SS**SBendtrans-78.5137.3134.7-83.9-88.6000105.9
207I44.1Very low39.3Very low158 Ų158136.8 Ų136.881%0.8173%0.726SS**  trans93.375.3-173.4-45.9155.3000113
208C37.4Very low40.6Very low108 Ų108133.6 Ų133.673%0.7371%0.712SS**  trans-160.452.7147.7-107.60000110.3
209R43.9Very low42.1Very low244 Ų244131.6 Ų131.692%0.92170%0.696SS**SBendtrans-125.232174.5-148.6179.4160.5-160.2-7.9112.5
210N44.5Very low43.5Very low141 Ų141132 Ų13275%0.75469%0.69SS**SBendtrans-14917.9175.2-106.4-9.8000115.4
211V47.9Very low45.2Very low124 Ų124134.7 Ų134.775%0.75270%0.699SS**SBendtrans-115.451.5174.2-166.20000110
212S53.1Low46.9Very low101 Ų101128.5 Ų128.571%0.70668%0.682SS**SBendtrans-131.70.9170.9-170.70000113
213I50.6Low48.7Very low133 Ų133124.7 Ų124.768%0.68266%0.663SS**SBendtrans-121.1-17-176.7-65.4172.7000112.3
214F48Very low50.5Low172 Ų172123 Ų12375%0.75466%0.658SS**SBendtrans-94.2-5.4177.6-97.6-88.6000115.4
215C50.7Low52.3Low81 Ų81119.5 Ų119.555%0.54765%0.647SS.*Hα-helixtrans-89.7-20.8-179.2-153.10000113.3I219C215-I219 WeakPolarHBondContact O-CD1 3.3Å; C215-I219 WeakPolarHBondContact O-CG1 3.4Å
216C52.9Low53.9Low82 Ų82117.8 Ų117.855%0.55464%0.637SS**Hα-helixtrans-84-27.3-177.9-590000113.6L220C216-L220 WeakPolarHBondContact O-CG 3.26Å
217C54.3Low55.2Low76 Ų76113.2 Ų113.251%0.51462%0.621SS.*Hα-helixtrans-79.2-29.6-177.6-60.30000113.2I221C217-I221 WeakPolarHBondContact O-CG1 3.5Å; C217-I221 PolarHBondContact O-N 3.37Å
218V56.6Low56.1Low89 Ų89108.3 Ų108.354%0.53961%0.605SS.*Hα-helixtrans-74.2-35.8179.4-1710000111I221 V222V218-I221 PolarHBondContact O-N 2.8Å; V218-V222 WeakPolarHBondContact O-CG2 3.39Å; V218-V222 PolarHBondContact O-N 3.25Å; V218-V222 VanDerWaalsContact O-N 3.17Å
219I58.1Low57.3Low98 Ų98113 Ų11350%0.50361%0.607SS.*Hα-helixtrans-67-39.5178.7-62.4173.2000111C215 V222 I223C215-I219 WeakPolarHBondContact O-CD1 3.3Å; C215-I219 WeakPolarHBondContact O-CG1 3.4Å; I219-V222 PolarHBondContact O-N 2.69Å; I219-I223 HydrophobicContact CG2-CD1 3.97Å; I219-I223 WeakPolarHBondContact O-CG1 3.31Å; I219-I223 PolarHBondContact O-N 3.16Å; I219-I223 VanDerWaalsContact O-N 3.12Å
220L56.9Low58.1Low116 Ų116106.7 Ų106.761%0.60760%0.596SS**Hα-helixtrans-66.7-37.4177.7-70173.3000112.6C216 V224C216-L220 WeakPolarHBondContact O-CG 3.26Å; L220-V224 WeakPolarHBondContact O-CG2 3.37Å; L220-V224 PolarHBondContact O-N 2.86Å; L220-V224 VanDerWaalsContact O-N 3.17Å
221I62.4Low58.7Low115 Ų115104.1 Ų104.159%0.5959%0.594SS**Hα-helixtrans-67.8-40.7177.7-66168.6000111C217 V218 V224 V225C217-I221 WeakPolarHBondContact O-CG1 3.5Å; C217-I221 PolarHBondContact O-N 3.37Å; V218-I221 PolarHBondContact O-N 2.8Å; I221-V224 PolarHBondContact O-N 3.05Å; I221-V225 WeakPolarHBondContact O-CG2 3.42Å; I221-V225 PolarHBondContact O-N 3.2Å; I221-V225 VanDerWaalsContact O-N 3.12Å
222V64.4Low58.8Low76 Ų76108.3 Ų108.346%0.46161%0.61SS.*Hα-helixtrans-65.9-40.1178.2174.10000111.5V218 I219 V225 I226V218-V222 WeakPolarHBondContact O-CG2 3.39Å; V218-V222 PolarHBondContact O-N 3.25Å; V218-V222 VanDerWaalsContact O-N 3.17Å; I219-V222 PolarHBondContact O-N 2.69Å; V222-V225 PolarHBondContact O-N 3.38Å; V222-I226 HydrophobicContact CG1-CD1 3.67Å; V222-I226 HydrophobicContact CG1-CG1 4.38Å; V222-I226 VanDerWaalsContact O-CG1 3.27Å; V222-I226 WeakPolarHBondContact O-CG1 3.39Å; V222-I226 PolarHBondContact O-N 3.23Å
223I66.1Low59.1Low91 Ų91108.7 Ų108.747%0.46761%0.605SS.*Hα-helixtrans-64.2-43.5177.2-67169.2000111.1I219 V225 I226 V227I219-I223 HydrophobicContact CG2-CD1 3.97Å; I219-I223 WeakPolarHBondContact O-CG1 3.31Å; I219-I223 PolarHBondContact O-N 3.16Å; I219-I223 VanDerWaalsContact O-N 3.12Å; I223-V225 VanDerWaalsContact C-N 3.34Å; I223-V225 PolarHBondContact O-N 2.99Å; I223-I226 PolarHBondContact O-N 2.76Å; I223-V227 HydrophobicContact CG2-CG2 4.25Å; I223-V227 VanDerWaalsContact O-CG2 3.3Å; I223-V227 WeakPolarHBondContact O-CG2 3.2Å; I223-V227 PolarHBondContact O-N 3.01Å
224V66.9Low59.6Low101 Ų101107.4 Ų107.461%0.61260%0.601SS**Hα-helixtrans-63.1-39.9178.3173.60000111.5L220 I221 A228L220-V224 WeakPolarHBondContact O-CG2 3.37Å; L220-V224 PolarHBondContact O-N 2.86Å; L220-V224 VanDerWaalsContact O-N 3.17Å; I221-V224 PolarHBondContact O-N 3.05Å; V224-A228 VanDerWaalsContact O-CB 3.27Å; V224-A228 WeakPolarHBondContact O-CB 3.4Å; V224-A228 PolarHBondContact O-N 3.06Å
225V66.8Low60.2Low81 Ų81103.8 Ų103.849%0.49159%0.593SS.*Hα-helixtrans-67.6-38.6177.4173.70000111.9I221 V222 I223 R229I221-V225 WeakPolarHBondContact O-CG2 3.42Å; I221-V225 PolarHBondContact O-N 3.2Å; I221-V225 VanDerWaalsContact O-N 3.12Å; V222-V225 PolarHBondContact O-N 3.38Å; I223-V225 VanDerWaalsContact C-N 3.34Å; I223-V225 PolarHBondContact O-N 2.99Å; V225-R229 HydrophobicContact CG1-CG 4.47Å; V225-R229 WeakPolarHBondContact O-CB 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.46Å; V225-R229 PolarHBondContact O-N 3.42Å; V225-R229 VanDerWaalsContact O-N 3.1Å
226I66.6Low60.8Low101 Ų101105.1 Ų105.152%0.51860%0.595SS.*Hα-helixtrans-69.4-41.8177.9-67.4169.1000111.1V222 I223 R229 T230V222-I226 HydrophobicContact CG1-CD1 3.67Å; V222-I226 HydrophobicContact CG1-CG1 4.38Å; V222-I226 VanDerWaalsContact O-CG1 3.27Å; V222-I226 WeakPolarHBondContact O-CG1 3.39Å; V222-I226 PolarHBondContact O-N 3.23Å; I223-I226 PolarHBondContact O-N 2.76Å; I226-R229 PolarHBondContact O-N 3.26Å; I226-T230 WeakPolarHBondContact O-CG2 3.34Å; I226-T230 PolarHBondContact O-N 2.89Å; I226-T230 PolarHBondContact O-OG1 2.88Å
227V67.3Low61.3Low89 Ų89106.6 Ų106.654%0.53960%0.598SS.*Hα-helixtrans-66.6-40.2176.8174.50000111.1I223 R229 T230 A231I223-V227 HydrophobicContact CG2-CG2 4.25Å; I223-V227 VanDerWaalsContact O-CG2 3.3Å; I223-V227 WeakPolarHBondContact O-CG2 3.2Å; I223-V227 PolarHBondContact O-N 3.01Å; V227-R229 VanDerWaalsContact C-N 3.3Å; V227-R229 PolarHBondContact O-N 3.35Å; V227-T230 PolarHBondContact O-N 2.96Å; V227-T230 PolarHBondContact O-OG1 3.47Å; V227-A231 PolarHBondContact O-N 3.4Å
228A63.5Low61.7Low56 Ų56108.6 Ų108.646%0.46360%0.603SS.*Hα-helixtrans-67.8-27.6176.700000113.6V224V224-A228 VanDerWaalsContact O-CB 3.27Å; V224-A228 WeakPolarHBondContact O-CB 3.4Å; V224-A228 PolarHBondContact O-N 3.06Å
229R62.4Low62.1Low206 Ų206110 Ų11078%0.77761%0.608SS**Hα-helixtrans-82.1-15.6177.2-74.3-100.5-178.3163.5-1.2113.9V225 I226 V227V225-R229 HydrophobicContact CG1-CG 4.47Å; V225-R229 WeakPolarHBondContact O-CB 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.46Å; V225-R229 PolarHBondContact O-N 3.42Å; V225-R229 VanDerWaalsContact O-N 3.1Å; I226-R229 PolarHBondContact O-N 3.26Å; V227-R229 VanDerWaalsContact C-N 3.3Å; V227-R229 PolarHBondContact O-N 3.35Å
230T60.5Low62.4Low112 Ų112110.9 Ų110.969%0.68762%0.616SS**Hα-helixtrans-104.6-2.7-178.146.70000113.3I226 V227I226-T230 WeakPolarHBondContact O-CG2 3.34Å; I226-T230 PolarHBondContact O-N 2.89Å; I226-T230 PolarHBondContact O-OG1 2.88Å; V227-T230 PolarHBondContact O-N 2.96Å; V227-T230 PolarHBondContact O-OG1 3.47Å
231A56.3Low62.9Low86 Ų86110.5 Ų110.571%0.71162%0.617SS**  trans-109.515.2178.500000114.2V227V227-A231 PolarHBondContact O-N 3.4Å
232I51.3Low62.9Low212 Ų212110.1 Ų110.1100%1.08762%0.619SS**  trans-124.60173.4-58.6174.8000108.8

Retrieved 232 of 232 residues in 45.3 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).