G4V788_SCHMA Loading...

Target of rapamycin complex subunit lst8

Subunit of TORC1 and TORC2, which regulate cell growth and survival in response to nutrient and hormonal signals.

AlphaFold DB , UniProt , Accession G4V788, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 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
1M35.5Very low61Low230 Ų230102.2 Ų102.2100%1.13350%0.499SS*.  0114.10-77.4168.8-170.800107.2N3M1-N3 PolarHBondContact O-N 3.02Å
2K33.2Very low64.1Low199 Ų19993.7 Ų93.787%0.86546%0.458SS*.  trans-68.4120.1163.9-86.7174.6170.8178.10105.3D4K2-D4 PolarHBondContact O-N 2.81Å
3N36.7Very low66.7Low104 Ų10486.5 Ų86.556%0.55642%0.423SS*.  trans-70.796.1-178.3-81.4-10.4000109.1M1 Y5 D6M1-N3 PolarHBondContact O-N 3.02Å; N3-Y5 PolarHBondContact O-N 3.19Å; N3-D6 PolarHBondContact O-N 3.09Å
4D41Very low69Low132 Ų13280.3 Ų80.371%0.70639%0.392SS*.G310 helixtrans-58.4-12.3168.2-71.7-30.5000112.3K2 D6K2-D4 PolarHBondContact O-N 2.81Å; D4-D6 VanDerWaalsContact C-N 3.26Å; D4-D6 PolarHBondContact O-N 3.25Å
5Y46.9Very low70.9Confident171 Ų17174.9 Ų74.967%0.67137%0.366SS*.G310 helixtrans-60.2-27.4172.1-83.6-83.2000114.4N3N3-Y5 PolarHBondContact O-N 3.19Å
6D59.4Low72.5Confident26 Ų2674.5 Ų74.514%0.13936%0.362CS..G310 helixtrans-79.7-19.5-172.2-83.1-38.9000114.8N3 D4 N8 L9 Q24 S26N3-D6 PolarHBondContact O-N 3.09Å; D4-D6 VanDerWaalsContact C-N 3.26Å; D4-D6 PolarHBondContact O-N 3.25Å; D6-N8 PolarHBondContact O-N 2.95Å; D6-N8 VanDerWaalsContact O-N 3.16Å; D6-L9 PolarHBondContact O-N 2.93Å; D6-Q24 PolarHBondContact OD2-NE2 2.94Å; D6-S26 WeakPolarHBondContact OD1-CB 3.17Å; D6-S26 PolarHBondContact OD1-OG 2.87Å; D6-S26 PolarHBondContact OD2-OG 3.04Å; D6-S26 VanDerWaalsContact OD2-OG 3.09Å
7N62.5Low73.9Confident138 Ų13871.4 Ų71.474%0.73835%0.348SS*.G310 helixtrans-68.3-15.5179.8-77.6-14.9000113.2
8N78.3Confident75Confident78 Ų7871.3 Ų71.342%0.41735%0.346SS..G310 helixtrans-100.81.5-179.3-67.9-22.7000113.4D6D6-N8 PolarHBondContact O-N 2.95Å; D6-N8 VanDerWaalsContact O-N 3.16Å
9L88.7Confident76.2Confident30 Ų3068.6 Ų68.616%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-113122.3-178.4-66.1179000110.1D6 P25 F309 R310 D311D6-L9 PolarHBondContact O-N 2.93Å; L9-P25 HydrophobicContact CB-CB 4.43Å; L9-P25 HydrophobicContact CB-CG 3.86Å; L9-F309 HydrophobicContact CD2-CZ 4.26Å; L9-R310 WeakPolarHBondContact CA-O 3.35Å; L9-D311 HydrophobicContact CD2-CB 3.72Å; L9-D311 VanDerWaalsContact CD2-OD1 3.29Å; L9-D311 WeakPolarHBondContact CD2-OD1 3.21Å
10S91.5Very high77.3Confident16 Ų1665.2 Ų65.211%0.11232%0.318CS..EExtended strand (participates in β ladder)trans-131.2130.6174.1-57.80000110.1F309 R310S10-F309 WeakPolarHBondContact O-CA 3.36Å; S10-F309 WeakPolarHBondContact O-CD2 3.46Å; S10-R310 PolarHBondContact N-O 3.16Å; S10-R310 PolarHBondContact O-N 3.44Å
11L96.9Very high78.2Confident0 Ų064.8 Ų64.80%031%0.313CS..EExtended strand (participates in β ladder)trans-122.4129.2169.7175.962000109.4T13 M22 W23 P25 L275 Y297 M307 A308 F309L11-T13 HydrophobicContact CD1-CG2 4.4Å; L11-T13 HydrophobicContact CG-CG2 4.32Å; L11-M22 CarbonylContact O-C 3.57Å; L11-M22 VanDerWaalsContact O-CA 3.29Å; L11-M22 WeakPolarHBondContact O-CA 3.43Å; L11-W23 HydrophobicContact CB-CB 4.4Å; L11-W23 HydrophobicContact CD2-CB 4.38Å; L11-W23 PolarHBondContact N-O 3.49Å; L11-W23 PolarHBondContact O-N 3.27Å; L11-P25 HydrophobicContact CB-CB 4.47Å; L11-P25 HydrophobicContact CB-CG 3.74Å; L11-L275 HydrophobicContact CD1-CD1 3.94Å; L11-L275 HydrophobicContact CD2-CD1 4.29Å; L11-L275 HydrophobicContact CD2-CD2 3.99Å; L11-Y297 HydrophobicContact CD2-CD1 3.9Å; L11-Y297 HydrophobicContact CD2-CD2 3.97Å; L11-Y297 HydrophobicContact CD2-CE1 3.56Å; L11-Y297 HydrophobicContact CD2-CE2 3.68Å; L11-Y297 HydrophobicContact CD2-CG 4.08Å; L11-Y297 VanDerWaalsContact CD2-CZ 3.43Å; L11-M307 HydrophobicContact CD1-CB 4.31Å; L11-M307 HydrophobicContact CD1-SD 4.44Å; L11-A308 WeakPolarHBondContact CA-O 3.12Å; L11-A308 WeakPolarHBondContact CD1-O 3.42Å; L11-F309 HydrophobicContact CB-CD2 4.24Å; L11-F309 HydrophobicContact CD1-CB 4.21Å; L11-F309 HydrophobicContact CD1-CD2 4.33Å
12A98Very high81.1Confident0 Ų054.1 Ų54.10%026%0.26CS..EExtended strand (participates in β ladder)trans-121.1142.5167.200000109.9I20 R21 M22 L44 F46 L53 M307 A308A12-I20 HydrophobicContact CB-CG2 4.29Å; A12-R21 CarbonylContact C-O 3.5Å; A12-R21 VanDerWaalsContact CA-O 3.27Å; A12-R21 WeakPolarHBondContact CA-O 3.37Å; A12-M22 HydrophobicContact CB-CG 4.13Å; A12-L44 HydrophobicContact CB-CD1 4.38Å; A12-F46 HydrophobicContact CB-CE2 4Å; A12-F46 HydrophobicContact CB-CZ 3.72Å; A12-L53 HydrophobicContact CB-CD1 4.07Å; A12-L53 HydrophobicContact CB-CD2 3.75Å; A12-M307 CarbonylContact O-C 3.59Å; A12-M307 VanDerWaalsContact O-CA 3.25Å; A12-M307 WeakPolarHBondContact O-CA 3.38Å; A12-A308 HydrophobicContact CB-CB 4.44Å; A12-A308 PolarHBondContact N-O 2.95Å; A12-A308 PolarHBondContact O-N 3.17Å
13T98.6Very high84.1Confident0 Ų044.9 Ų44.90%022%0.22CC..EExtended strand (participates in β ladder)trans-127.2144177.258.60000109.8L11 I20 R21 W23 A283 H300 I304 M307L11-T13 HydrophobicContact CD1-CG2 4.4Å; L11-T13 HydrophobicContact CG-CG2 4.32Å; T13-I20 CarbonylContact O-C 3.5Å; T13-I20 VanDerWaalsContact O-CA 3.3Å; T13-I20 WeakPolarHBondContact O-CA 3.38Å; T13-R21 PolarHBondContact N-O 3.2Å; T13-R21 PolarHBondContact O-N 2.75Å; T13-R21 PolarHBondContact OG1-O 2.83Å; T13-W23 PolarHBondContact OG1-NE1 2.76Å; T13-A283 HydrophobicContact CG2-CB 4.03Å; T13-H300 PolarHBondContact O-NE2 3.48Å; T13-H300 PolarHBondContact OG1-CD2 2.92Å; T13-H300 PolarHBondContact OG1-NE2 3.32Å; T13-I304 HydrophobicContact CG2-CG2 4.46Å; T13-M307 HydrophobicContact CG2-CG 4.08Å; T13-M307 HydrophobicContact CG2-SD 4.39Å
14G98.3Very high86.8Confident0 Ų042.1 Ų42.10%020%0.204CC..EExtended strand (participates in β ladder)trans-146158179.400000112.1I304 T305 C306G14-I304 WeakPolarHBondContact O-CG2 3.11Å; G14-T305 PolarHBondContact O-N 3.29Å; G14-C306 PolarHBondContact N-O 3.24Å; G14-C306 VanDerWaalsContact N-O 3.09Å; G14-C306 PolarHBondContact O-N 2.94Å
15G97.3Very high89.3Confident0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-175.1-146.4-179.200000115.7D17 Q40 V41 A303 T305G15-D17 VanDerWaalsContact C-N 3.33Å; G15-D17 PolarHBondContact O-N 3.02Å; G15-Q40 WeakPolarHBondContact O-CA 3.37Å; G15-V41 PolarHBondContact O-N 3.48Å; G15-V41 VanDerWaalsContact O-N 3.12Å; G15-A303 WeakPolarHBondContact CA-O 3.35Å; G15-T305 WeakPolarHBondContact CA-OG1 3.12Å
16F96.9Very high91.4Very high68 Ų6830.5 Ų30.530%0.29816%0.158SC..THydrogen-bonded Turntrans-82.2-2.7-173.1-64.3-52.4000115H18 Q40 R302 A303 T305F16-H18 VanDerWaalsContact C-N 3.28Å; F16-Q40 HydrophobicContact CD1-CB 3.53Å; F16-Q40 HydrophobicContact CD1-CG 3.95Å; F16-Q40 HydrophobicContact CE1-CB 4.05Å; F16-Q40 HydrophobicContact CE1-CG 3.94Å; F16-R302 HydrophobicContact CB-CB 4.03Å; F16-R302 WeakPolarHBondContact O-CD 3.31Å; F16-R302 PolarHBondContact O-NH1 3.36Å; F16-A303 HydrophobicContact CD2-CB 3.88Å; F16-A303 HydrophobicContact CE2-CB 4.29Å; F16-A303 PolarHBondContact N-O 3.28Å; F16-A303 VanDerWaalsContact N-O 3.16Å; F16-T305 HydrophobicContact CD2-CG2 4.1Å; F16-T305 HydrophobicContact CE1-CG2 4.29Å; F16-T305 HydrophobicContact CE2-CG2 3.54Å; F16-T305 HydrophobicContact CZ-CG2 3.64Å
17D95.8Very high92.9Very high22 Ų2233 Ų3312%0.11817%0.174CC..THydrogen-bonded Turntrans-89.510.2177.271.8-4.5000113.7G15 T19 H300 Q301 R302G15-D17 VanDerWaalsContact C-N 3.33Å; G15-D17 PolarHBondContact O-N 3.02Å; D17-T19 VanDerWaalsContact CG-OG1 3.23Å; D17-T19 PolarHBondContact O-N 2.82Å; D17-T19 PolarHBondContact OD1-N 3.21Å; D17-T19 VanDerWaalsContact OD1-N 3.17Å; D17-T19 PolarHBondContact OD1-OG1 2.78Å; D17-T19 PolarHBondContact OD2-OG1 3.42Å; D17-H300 VanDerWaalsContact CG-ND1 3.26Å; D17-H300 IonicContact OD1-CE1 3.66Å; D17-H300 IonicContact OD1-ND1 3.25Å; D17-H300 PolarHBondContact OD1-ND1 2.91Å; D17-H300 WeakPolarHBondContact OD2-CA 3.39Å; D17-H300 WeakPolarHBondContact OD2-CB 3.28Å; D17-H300 IonicContact OD2-CE1 3.77Å; D17-H300 IonicContact OD2-CG 3.74Å; D17-H300 IonicContact OD2-ND1 3.54Å; D17-H300 PolarHBondContact OD2-ND1 2.85Å; D17-Q301 HydrophobicContact CB-CB 4.29Å; D17-Q301 PolarHBondContact OD2-N 3.32Å; D17-R302 HydrophobicContact CB-CB 3.99Å; D17-R302 HydrophobicContact CB-CG 4.04Å
18H95.2Very high94.4Very high69 Ų6927.1 Ų27.132%0.31915%0.146SC..SBendtrans60.923178.3-53.7-61000113.8F16 H36 S39 Q40F16-H18 VanDerWaalsContact C-N 3.28Å; H18-H36 CarbonylContact O-C 3.41Å; H18-H36 WeakPolarHBondContact O-CA 3.46Å; H18-H36 PolarHBondContact O-N 2.94Å; H18-S39 PolarHBondContact ND1-O 2.77Å; H18-Q40 PolarHBondContact ND1-N 3.5Å
19T96.6Very high95.2Very high20 Ų2030.1 Ų30.112%0.12316%0.156CC..EExtended strand (participates in β ladder)trans-123.2150.8175.5700000111.4D17 H300D17-T19 VanDerWaalsContact CG-OG1 3.23Å; D17-T19 PolarHBondContact O-N 2.82Å; D17-T19 PolarHBondContact OD1-N 3.21Å; D17-T19 VanDerWaalsContact OD1-N 3.17Å; D17-T19 PolarHBondContact OD1-OG1 2.78Å; D17-T19 PolarHBondContact OD2-OG1 3.42Å; T19-H300 PolarHBondContact OG1-CE1 3.37Å; T19-H300 PolarHBondContact OG1-ND1 3.18Å
20I97.7Very high95.5Very high0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-110.7132.2162.7-59.2163.4000106.2A12 T13 G33 F34 H36 V41 L44 L53 A55 Y64A12-I20 HydrophobicContact CB-CG2 4.29Å; T13-I20 CarbonylContact O-C 3.5Å; T13-I20 VanDerWaalsContact O-CA 3.3Å; T13-I20 WeakPolarHBondContact O-CA 3.38Å; I20-G33 CarbonylContact O-C 3.6Å; I20-G33 WeakPolarHBondContact O-CA 3.14Å; I20-F34 HydrophobicContact CB-CB 4.18Å; I20-F34 HydrophobicContact CB-CD2 4.05Å; I20-F34 HydrophobicContact CD1-CB 4.47Å; I20-F34 HydrophobicContact CG2-CD2 3.93Å; I20-F34 PolarHBondContact N-O 3.16Å; I20-F34 PolarHBondContact O-N 3.21Å; I20-H36 HydrophobicContact CD1-CB 4.3Å; I20-H36 HydrophobicContact CG1-CB 4.31Å; I20-V41 HydrophobicContact CD1-CG2 4.39Å; I20-V41 HydrophobicContact CG1-CG1 4.3Å; I20-V41 HydrophobicContact CG1-CG2 3.77Å; I20-L44 HydrophobicContact CD1-CD2 3.9Å; I20-L44 HydrophobicContact CG1-CD2 4.16Å; I20-L44 HydrophobicContact CG2-CD1 4.2Å; I20-L44 HydrophobicContact CG2-CD2 4.17Å; I20-L53 HydrophobicContact CG2-CD2 3.81Å; I20-A55 HydrophobicContact CD1-CB 3.59Å; I20-Y64 HydrophobicContact CD1-CD2 4.24Å; I20-Y64 HydrophobicContact CD1-CE2 3.56Å
21R97.7Very high95.5Very high58 Ų5837.4 Ų37.422%0.21919%0.185CC..EExtended strand (participates in β ladder)trans-120.2133.9178.2-65.4-179171.2-110.6-0.6110A12 T13 W23 Y30 G299A12-R21 CarbonylContact C-O 3.5Å; A12-R21 VanDerWaalsContact CA-O 3.27Å; A12-R21 WeakPolarHBondContact CA-O 3.37Å; T13-R21 PolarHBondContact N-O 3.2Å; T13-R21 PolarHBondContact O-N 2.75Å; T13-R21 PolarHBondContact OG1-O 2.83Å; R21-W23 HydrophobicContact CB-CH2 4.38Å; R21-W23 HydrophobicContact CB-CZ2 3.49Å; R21-W23 VanDerWaalsContact CB-CZ2 3.49Å; R21-W23 VanDerWaalsContact CD-CZ2 3.47Å; R21-W23 HydrophobicContact CG-CZ2 4.13Å; R21-W23 PolarHBondContact O-NE1 3.19Å; R21-Y30 HydrophobicContact CB-CD2 4.48Å; R21-Y30 HydrophobicContact CB-CE2 4.25Å; R21-Y30 HydrophobicContact CG-CE2 4.18Å; R21-G299 VanDerWaalsContact CZ-C 3.43Å; R21-G299 PolarHBondContact NE-O 3.5Å; R21-G299 PolarHBondContact NH2-O 3.4Å
22M96.8Very high95.4Very high5 Ų539.7 Ų39.73%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-103.6142.3174.2-70.6-167.860.200111.2L11 A12 I31 Q32 F34 F46 V66L11-M22 CarbonylContact O-C 3.57Å; L11-M22 VanDerWaalsContact O-CA 3.29Å; L11-M22 WeakPolarHBondContact O-CA 3.43Å; A12-M22 HydrophobicContact CB-CG 4.13Å; M22-I31 HydrophobicContact CB-CB 4.28Å; M22-I31 PolarHBondContact O-N 2.93Å; M22-Q32 WeakPolarHBondContact CA-O 3.33Å; M22-Q32 WeakPolarHBondContact CB-O 3.15Å; M22-Q32 PolarHBondContact N-O 2.93Å; M22-F34 HydrophobicContact CG-CE2 3.88Å; M22-F34 HydrophobicContact SD-CE2 3.62Å; M22-F34 HydrophobicContact SD-CZ 3.96Å; M22-F46 HydrophobicContact CE-CE1 3.95Å; M22-F46 HydrophobicContact CE-CZ 3.86Å; M22-F46 HydrophobicContact SD-CE1 4.5Å; M22-V66 HydrophobicContact CE-CG1 3.58Å; M22-V66 HydrophobicContact SD-CG1 3.95Å
23W96.2Very high95.2Very high5 Ų540.3 Ų40.32%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-134.9148-173.2-44.890.3000110.8L11 T13 R21 P25 K29 Y30 I31 Y297 K298L11-W23 HydrophobicContact CB-CB 4.4Å; L11-W23 HydrophobicContact CD2-CB 4.38Å; L11-W23 PolarHBondContact N-O 3.49Å; L11-W23 PolarHBondContact O-N 3.27Å; T13-W23 PolarHBondContact OG1-NE1 2.76Å; R21-W23 HydrophobicContact CB-CH2 4.38Å; R21-W23 HydrophobicContact CB-CZ2 3.49Å; R21-W23 VanDerWaalsContact CB-CZ2 3.49Å; R21-W23 VanDerWaalsContact CD-CZ2 3.47Å; R21-W23 HydrophobicContact CG-CZ2 4.13Å; R21-W23 PolarHBondContact O-NE1 3.19Å; W23-P25 VanDerWaalsContact O-CD 3.31Å; W23-P25 WeakPolarHBondContact O-CD 3.24Å; W23-K29 CarbonylContact C-O 3.58Å; W23-K29 WeakPolarHBondContact CA-O 3.44Å; W23-Y30 HydrophobicContact CE3-CD2 4.47Å; W23-Y30 HydrophobicContact CH2-CD2 4.35Å; W23-Y30 HydrophobicContact CZ3-CD2 4.19Å; W23-I31 VanDerWaalsContact C-CD1 3.43Å; W23-Y297 HydrophobicContact CB-CD1 3.57Å; W23-Y297 HydrophobicContact CB-CE1 3.87Å; W23-Y297 AromaticContact CD2-CD1 3.96Å; W23-Y297 HydrophobicContact CD2-CD1 3.96Å; W23-Y297 HydrophobicContact CD2-CG 4.41Å; W23-Y297 HydrophobicContact CE3-CD1 4.26Å; W23-Y297 AromaticContact CG-CD1 3.66Å; W23-Y297 HydrophobicContact CG-CD1 3.66Å; W23-Y297 HydrophobicContact CG-CE1 4.4Å; W23-Y297 HydrophobicContact CG-CG 4.31Å; W23-K298 WeakPolarHBondContact CH2-O 3.24Å
24Q93Very high95Very high46 Ų4640.4 Ų40.422%0.21520%0.203CC..  trans-76.6114.9162-176.4176.217.400107.8D6 S26 T27 G28 K29 I31D6-Q24 PolarHBondContact OD2-NE2 2.94Å; Q24-S26 PolarHBondContact O-N 2.99Å; Q24-T27 WeakPolarHBondContact CB-OG1 3.02Å; Q24-T27 VanDerWaalsContact CD-OG1 3.28Å; Q24-T27 HydrophobicContact CG-CG2 4.37Å; Q24-T27 WeakPolarHBondContact CG-OG1 3.06Å; Q24-T27 PolarHBondContact O-N 3.25Å; Q24-T27 PolarHBondContact OE1-OG1 2.82Å; Q24-G28 WeakPolarHBondContact O-CA 3.19Å; Q24-G28 PolarHBondContact O-N 3.44Å; Q24-K29 HydrophobicContact CB-CB 4.21Å; Q24-K29 PolarHBondContact N-O 3.31Å; Q24-I31 HydrophobicContact CB-CD1 4.19Å; Q24-I31 HydrophobicContact CB-CG1 4.35Å
25P93.2Very high94.7Very high7 Ų745.7 Ų45.75%0.04523%0.227CC..THydrogen-bonded Turntrans-65.9-35-168.8-27.440.2000114.1L9 L11 W23 T27 Y297 F309L9-P25 HydrophobicContact CB-CB 4.43Å; L9-P25 HydrophobicContact CB-CG 3.86Å; L11-P25 HydrophobicContact CB-CB 4.47Å; L11-P25 HydrophobicContact CB-CG 3.74Å; W23-P25 VanDerWaalsContact O-CD 3.31Å; W23-P25 WeakPolarHBondContact O-CD 3.24Å; P25-T27 PolarHBondContact O-N 3.23Å; P25-Y297 VanDerWaalsContact CA-OH 3.31Å; P25-Y297 WeakPolarHBondContact CA-OH 3.26Å; P25-Y297 PolarHBondContact O-OH 3.37Å; P25-F309 HydrophobicContact CB-CE2 3.93Å; P25-F309 HydrophobicContact CG-CD2 4.43Å; P25-F309 HydrophobicContact CG-CE2 3.92Å
26S90.1Very high94.5Very high53 Ų5345.7 Ų45.737%0.37123%0.227SC..THydrogen-bonded Turntrans-70.9-28.6-178.257.80000113.9D6 Q24D6-S26 WeakPolarHBondContact OD1-CB 3.17Å; D6-S26 PolarHBondContact OD1-OG 2.87Å; D6-S26 PolarHBondContact OD2-OG 3.04Å; D6-S26 VanDerWaalsContact OD2-OG 3.09Å; Q24-S26 PolarHBondContact O-N 2.99Å
27T92.1Very high94.1Very high78 Ų7846.8 Ų46.848%0.47924%0.236SC..THydrogen-bonded Turntrans-114.8-17.4-171.666.10000113.8Q24 P25 K29Q24-T27 WeakPolarHBondContact CB-OG1 3.02Å; Q24-T27 VanDerWaalsContact CD-OG1 3.28Å; Q24-T27 HydrophobicContact CG-CG2 4.37Å; Q24-T27 WeakPolarHBondContact CG-OG1 3.06Å; Q24-T27 PolarHBondContact O-N 3.25Å; Q24-T27 PolarHBondContact OE1-OG1 2.82Å; P25-T27 PolarHBondContact O-N 3.23Å; T27-K29 PolarHBondContact O-N 2.89Å; T27-K29 VanDerWaalsContact OG1-CB 3.23Å; T27-K29 WeakPolarHBondContact OG1-CB 3.11Å; T27-K29 PolarHBondContact OG1-N 3.39Å; T27-K29 VanDerWaalsContact OG1-N 3.13Å
28G93.8Very high93.6Very high15 Ų1553 Ų5316%0.15527%0.265CS..  trans72.97.1-170.100000114.1Q24 Y30 V295Q24-G28 WeakPolarHBondContact O-CA 3.19Å; Q24-G28 PolarHBondContact O-N 3.44Å; G28-Y30 PolarHBondContact O-N 3.38Å; G28-V295 VanDerWaalsContact CA-CG1 3.4Å
29K94.4Very high93.5Very high141 Ų14149.8 Ų49.861%0.61325%0.25SS*.  trans-67.1128.5-179.6-176.1-176.6173.7-173.20110.2W23 Q24 T27 I31W23-K29 CarbonylContact C-O 3.58Å; W23-K29 WeakPolarHBondContact CA-O 3.44Å; Q24-K29 HydrophobicContact CB-CB 4.21Å; Q24-K29 PolarHBondContact N-O 3.31Å; T27-K29 PolarHBondContact O-N 2.89Å; T27-K29 VanDerWaalsContact OG1-CB 3.23Å; T27-K29 WeakPolarHBondContact OG1-CB 3.11Å; T27-K29 PolarHBondContact OG1-N 3.39Å; T27-K29 VanDerWaalsContact OG1-N 3.13Å; K29-I31 PolarHBondContact O-N 3.19Å
30Y95Very high93.5Very high107 Ų10750.8 Ų50.842%0.4225%0.254SS..EExtended strand (participates in β ladder)trans-63.4129.9169.9175.5-96.9000111R21 W23 G28 Q32 G33R21-Y30 HydrophobicContact CB-CD2 4.48Å; R21-Y30 HydrophobicContact CB-CE2 4.25Å; R21-Y30 HydrophobicContact CG-CE2 4.18Å; W23-Y30 HydrophobicContact CE3-CD2 4.47Å; W23-Y30 HydrophobicContact CH2-CD2 4.35Å; W23-Y30 HydrophobicContact CZ3-CD2 4.19Å; G28-Y30 PolarHBondContact O-N 3.38Å; Y30-Q32 WeakPolarHBondContact CE2-O 3.46Å; Y30-Q32 VanDerWaalsContact CZ-C 3.41Å; Y30-Q32 VanDerWaalsContact OH-C 3.3Å; Y30-G33 WeakPolarHBondContact OH-CA 3.28Å; Y30-G33 PolarHBondContact OH-N 3.45Å
31I93Very high93.5Very high91 Ų9150.8 Ų50.847%0.46725%0.254SS..EExtended strand (participates in β ladder)trans-98.9-63.3178.8-60.7175.1000109.6M22 W23 Q24 K29M22-I31 HydrophobicContact CB-CB 4.28Å; M22-I31 PolarHBondContact O-N 2.93Å; W23-I31 VanDerWaalsContact C-CD1 3.43Å; Q24-I31 HydrophobicContact CB-CD1 4.19Å; Q24-I31 HydrophobicContact CB-CG1 4.35Å; K29-I31 PolarHBondContact O-N 3.19Å
32Q93.3Very high93.5Very high48 Ų4849.7 Ų49.722%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-156.8164.1-174.1-179.9163.8-19.400109.3M22 Y30 G68M22-Q32 WeakPolarHBondContact CA-O 3.33Å; M22-Q32 WeakPolarHBondContact CB-O 3.15Å; M22-Q32 PolarHBondContact N-O 2.93Å; Y30-Q32 WeakPolarHBondContact CE2-O 3.46Å; Y30-Q32 VanDerWaalsContact CZ-C 3.41Å; Y30-Q32 VanDerWaalsContact OH-C 3.3Å; Q32-G68 PolarHBondContact NE2-O 3.47Å; Q32-G68 VanDerWaalsContact NE2-O 3.12Å
33G93.6Very high93.6Very high14 Ų1450 Ų5014%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-140.3155.9175.100000110.6I20 Y30 A70I20-G33 CarbonylContact O-C 3.6Å; I20-G33 WeakPolarHBondContact O-CA 3.14Å; Y30-G33 WeakPolarHBondContact OH-CA 3.28Å; Y30-G33 PolarHBondContact OH-N 3.45Å; G33-A70 WeakPolarHBondContact O-CB 3.46Å
34F94.8Very high93.7Very high1 Ų150.1 Ų50.10%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-120.4133.3178.7-49.4-86000108.8I20 M22 H36 L53 Y64 A70I20-F34 HydrophobicContact CB-CB 4.18Å; I20-F34 HydrophobicContact CB-CD2 4.05Å; I20-F34 HydrophobicContact CD1-CB 4.47Å; I20-F34 HydrophobicContact CG2-CD2 3.93Å; I20-F34 PolarHBondContact N-O 3.16Å; I20-F34 PolarHBondContact O-N 3.21Å; M22-F34 HydrophobicContact CG-CE2 3.88Å; M22-F34 HydrophobicContact SD-CE2 3.62Å; M22-F34 HydrophobicContact SD-CZ 3.96Å; F34-H36 PolarHBondContact O-N 2.74Å; F34-L53 HydrophobicContact CD2-CD2 4.42Å; F34-L53 HydrophobicContact CE2-CD2 4.12Å; F34-Y64 HydrophobicContact CB-CD1 3.9Å; F34-Y64 HydrophobicContact CB-CE1 3.61Å; F34-Y64 HydrophobicContact CB-CG 4.44Å; F34-Y64 AromaticContact CD1-CD1 3.37Å; F34-Y64 HydrophobicContact CD1-CD1 3.37Å; F34-Y64 AromaticContact CD1-CE1 3.96Å; F34-Y64 HydrophobicContact CD1-CE1 3.96Å; F34-Y64 AromaticContact CD1-CG 3.82Å; F34-Y64 HydrophobicContact CD1-CG 3.82Å; F34-Y64 HydrophobicContact CE1-CD1 4.05Å; F34-Y64 HydrophobicContact CE1-CG 4.2Å; F34-Y64 AromaticContact CG-CD1 3.75Å; F34-Y64 HydrophobicContact CG-CD1 3.75Å; F34-Y64 HydrophobicContact CG-CE1 4.01Å; F34-Y64 HydrophobicContact CG-CG 4.02Å; F34-A70 HydrophobicContact CD1-CB 4.37Å
35Q93Very high93.9Very high111 Ų11151.9 Ų51.952%0.51927%0.265SS..EExtended strand (participates in β ladder)trans-73.5124.4169.6-63.9-60.3-3800108.4Y64Q35-Y64 PolarHBondContact O-OH 3.38Å
36H91.5Very high93.9Very high0 Ų052.1 Ų52.10%027%0.265CS..  trans-113.559.3175.8-168.1-86.7000108.6H18 I20 F34 S39 Q40 V41 R62H18-H36 CarbonylContact O-C 3.41Å; H18-H36 WeakPolarHBondContact O-CA 3.46Å; H18-H36 PolarHBondContact O-N 2.94Å; I20-H36 HydrophobicContact CD1-CB 4.3Å; I20-H36 HydrophobicContact CG1-CB 4.31Å; F34-H36 PolarHBondContact O-N 2.74Å; H36-S39 PolarHBondContact ND1-O 3.12Å; H36-Q40 PolarHBondContact CE1-O 3.12Å; H36-Q40 VanDerWaalsContact CE1-O 3.27Å; H36-Q40 PolarHBondContact ND1-O 3.36Å; H36-V41 HydrophobicContact CB-CG2 3.89Å; H36-R62 PolarHBondContact CE1-NH1 3.49Å; H36-R62 PolarHBondContact NE2-NH1 2.98Å
37N88.5Confident94Very high91 Ų9149.6 Ų49.649%0.48725%0.247SC..THydrogen-bonded Turntrans-59.3154.6-174.4-64.5-23.5000112.1S39 R62N37-S39 PolarHBondContact O-N 3.39Å; N37-R62 PolarHBondContact O-NH2 2.82Å; N37-R62 VanDerWaalsContact O-NH2 3.09Å
38E87.1Confident93.8Very high152 Ų15250.8 Ų50.871%0.7124%0.243SC*.THydrogen-bonded Turntrans68.73.9174.6-48.9172.1163.800115.2R60E38-R60 IonicContact OE2-CZ 2.74Å; E38-R60 IonicContact OE2-NH1 2.89Å; E38-R60 PolarHBondContact OE2-NH1 2.88Å; E38-R60 IonicContact OE2-NH2 3.83Å
39S93.2Very high93.5Very high3 Ų353 Ų532%0.02125%0.252CS..SBendtrans-162.2145.9-178.4175.10000112.1H18 H36 N37 G57 Y58H18-S39 PolarHBondContact ND1-O 2.77Å; H36-S39 PolarHBondContact ND1-O 3.12Å; N37-S39 PolarHBondContact O-N 3.39Å; S39-G57 WeakPolarHBondContact OG-CA 3.36Å; S39-Y58 PolarHBondContact OG-N 2.8Å
40Q96Very high93.2Very high41 Ų4146.8 Ų46.819%0.19223%0.227CC..  trans-63.8167.8161.473-79.76.100111.5G15 F16 H18 H36 N42 N82G15-Q40 WeakPolarHBondContact O-CA 3.37Å; F16-Q40 HydrophobicContact CD1-CB 3.53Å; F16-Q40 HydrophobicContact CD1-CG 3.95Å; F16-Q40 HydrophobicContact CE1-CB 4.05Å; F16-Q40 HydrophobicContact CE1-CG 3.94Å; H18-Q40 PolarHBondContact ND1-N 3.5Å; H36-Q40 PolarHBondContact CE1-O 3.12Å; H36-Q40 VanDerWaalsContact CE1-O 3.27Å; H36-Q40 PolarHBondContact ND1-O 3.36Å; Q40-N42 WeakPolarHBondContact CG-OD1 3.37Å; Q40-N42 PolarHBondContact NE2-OD1 3.31Å; Q40-N82 PolarHBondContact NE2-OD1 3.3Å
41V97.9Very high93Very high0 Ų046.6 Ų46.60%023%0.23CC..  trans-105.7112.3174.6-1670000108.6G15 I20 H36 L44 A55 T305 C306G15-V41 PolarHBondContact O-N 3.48Å; G15-V41 VanDerWaalsContact O-N 3.12Å; I20-V41 HydrophobicContact CD1-CG2 4.39Å; I20-V41 HydrophobicContact CG1-CG1 4.3Å; I20-V41 HydrophobicContact CG1-CG2 3.77Å; H36-V41 HydrophobicContact CB-CG2 3.89Å; V41-L44 HydrophobicContact CG1-CD1 4.21Å; V41-L44 HydrophobicContact CG1-CD2 3.8Å; V41-L44 HydrophobicContact CG1-CG 3.71Å; V41-A55 HydrophobicContact CG1-CB 4.29Å; V41-T305 PolarHBondContact O-OG1 2.62Å; V41-C306 PolarHBondContact O-SG 2.88Å; V41-C306 VanDerWaalsContact O-SG 3.36Å
42N97.7Very high93Very high34 Ų3444.1 Ų44.118%0.18222%0.215CC..  trans-94.4-29.5-177.8-56.8-41.5000112.1Q40 G56 N82 V83 C306Q40-N42 WeakPolarHBondContact CG-OD1 3.37Å; Q40-N42 PolarHBondContact NE2-OD1 3.31Å; N42-G56 PolarHBondContact N-O 3.03Å; N42-N82 WeakPolarHBondContact ND2-CB 3.3Å; N42-N82 PolarHBondContact ND2-OD1 3.48Å; N42-V83 VanDerWaalsContact CB-O 3.3Å; N42-V83 WeakPolarHBondContact CB-O 3.07Å; N42-V83 PolarHBondContact ND2-O 2.77Å; N42-C306 WeakPolarHBondContact O-CB 3.15Å
43A97.9Very high93Very high11 Ų1141.9 Ų41.99%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-143.2143.3-179.300000110.7A55 G56 V86A43-A55 WeakPolarHBondContact O-CA 3.41Å; A43-G56 PolarHBondContact N-O 2.65Å; A43-G56 PolarHBondContact O-N 3.49Å; A43-V86 HydrophobicContact CB-CG2 3.92Å
44L98.1Very high93.2Very high9 Ų941.2 Ų41.25%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-134139.8174.3-75.6171.2000108.7A12 I20 V41 L53 A54 A55 A308A12-L44 HydrophobicContact CB-CD1 4.38Å; I20-L44 HydrophobicContact CD1-CD2 3.9Å; I20-L44 HydrophobicContact CG1-CD2 4.16Å; I20-L44 HydrophobicContact CG2-CD1 4.2Å; I20-L44 HydrophobicContact CG2-CD2 4.17Å; V41-L44 HydrophobicContact CG1-CD1 4.21Å; V41-L44 HydrophobicContact CG1-CD2 3.8Å; V41-L44 HydrophobicContact CG1-CG 3.71Å; L44-L53 HydrophobicContact CB-CD1 4.49Å; L44-L53 HydrophobicContact CD2-CD1 4.2Å; L44-L53 HydrophobicContact CD2-CD2 4.25Å; L44-L53 HydrophobicContact CD2-CG 4.21Å; L44-A54 VanDerWaalsContact CA-O 3.3Å; L44-A54 WeakPolarHBondContact CA-O 3.5Å; L44-A55 HydrophobicContact CD2-CB 3.69Å; L44-A308 HydrophobicContact CB-CB 3.82Å
45E97.2Very high93.3Very high83 Ų8341.1 Ų41.139%0.38820%0.197SC..EExtended strand (participates in β ladder)trans-149.8135.1171.6-173.971.2168.300110.5A54 V86 F88E45-A54 PolarHBondContact N-O 3.16Å; E45-A54 PolarHBondContact O-N 3.23Å; E45-V86 HydrophobicContact CB-CG2 4.1Å; E45-F88 HydrophobicContact CB-CD2 4.37Å; E45-F88 HydrophobicContact CG-CD2 3.96Å; E45-F88 WeakPolarHBondContact O-CE2 3.48Å
46F94.7Very high93.5Very high12 Ų1235.9 Ų35.95%0.05317%0.173CC..EExtended strand (participates in β ladder)trans-80.6144.2169.9-76-71.5000110.7A12 M22 Y52 L53 V66 A308 R310A12-F46 HydrophobicContact CB-CE2 4Å; A12-F46 HydrophobicContact CB-CZ 3.72Å; M22-F46 HydrophobicContact CE-CE1 3.95Å; M22-F46 HydrophobicContact CE-CZ 3.86Å; M22-F46 HydrophobicContact SD-CE1 4.5Å; F46-Y52 CarbonylContact C-O 3.58Å; F46-Y52 WeakPolarHBondContact CA-O 3.41Å; F46-L53 HydrophobicContact CD1-CB 4.15Å; F46-L53 HydrophobicContact CD1-CD1 3.82Å; F46-L53 HydrophobicContact CD2-CD1 4.34Å; F46-L53 HydrophobicContact CE1-CB 4.14Å; F46-L53 HydrophobicContact CE1-CD1 3.83Å; F46-L53 HydrophobicContact CE1-CD2 4.46Å; F46-L53 HydrophobicContact CE1-CG 4.37Å; F46-L53 HydrophobicContact CE2-CD1 4.35Å; F46-L53 HydrophobicContact CG-CD1 4.08Å; F46-L53 HydrophobicContact CZ-CD1 4.09Å; F46-V66 HydrophobicContact CD1-CG2 4.05Å; F46-V66 HydrophobicContact CE1-CG2 3.8Å; F46-A308 HydrophobicContact CD2-CB 3.56Å; F46-A308 HydrophobicContact CE2-CB 3.8Å; F46-A308 WeakPolarHBondContact CE2-O 3.21Å; F46-A308 HydrophobicContact CG-CB 4.35Å; F46-R310 HydrophobicContact CB-CB 4.5Å; F46-R310 HydrophobicContact CD2-CB 4.13Å
47S92.3Very high93.7Very high0 Ų035.9 Ų35.90%017%0.173CC..  trans-61.1152.4160.460.70000109.8D49 G50 Q51 Y52S47-D49 WeakPolarHBondContact CB-OD1 3.38Å; S47-D49 PolarHBondContact O-N 3.19Å; S47-D49 PolarHBondContact OG-OD1 2.87Å; S47-G50 WeakPolarHBondContact O-CA 3.3Å; S47-G50 PolarHBondContact O-N 2.73Å; S47-Q51 PolarHBondContact OG-N 2.85Å; S47-Y52 PolarHBondContact N-O 2.74Å; S47-Y52 PolarHBondContact OG-N 2.91Å; S47-Y52 PolarHBondContact OG-O 3.25Å
48R87.4Confident94.1Very high102 Ų10237.9 Ų37.939%0.38517%0.174SC..THydrogen-bonded Turntrans-59-34.1-177-171.5-177.7-178157.31.2113.6G50 D90 R310 H312R48-G50 PolarHBondContact O-N 2.86Å; R48-D90 WeakPolarHBondContact CD-O 3.46Å; R48-D90 IonicContact CZ-OD2 2.68Å; R48-D90 PolarHBondContact NH1-O 3.45Å; R48-D90 IonicContact NH1-OD1 3.85Å; R48-D90 IonicContact NH1-OD2 2.74Å; R48-D90 PolarHBondContact NH1-OD2 3.1Å; R48-R310 VanDerWaalsContact O-CZ 3.29Å; R48-R310 PolarHBondContact O-NE 2.67Å; R48-R310 PolarHBondContact O-NH2 3.32Å; R48-H312 PolarHBondContact O-NE2 2.62Å; R48-H312 VanDerWaalsContact O-NE2 3.15Å
49D86.4Confident94.5Very high63 Ų6331 Ų3134%0.33715%0.145SC..THydrogen-bonded Turntrans-74.7-11.5174.258.614.4000113.4S47 Q51 R310S47-D49 WeakPolarHBondContact CB-OD1 3.38Å; S47-D49 PolarHBondContact O-N 3.19Å; S47-D49 PolarHBondContact OG-OD1 2.87Å; D49-Q51 HydrophobicContact CB-CG 4.33Å; D49-Q51 PolarHBondContact O-N 2.88Å; D49-Q51 PolarHBondContact OD1-N 2.83Å; D49-R310 VanDerWaalsContact O-CZ 3.27Å; D49-R310 PolarHBondContact O-NH1 3.42Å; D49-R310 PolarHBondContact O-NH2 2.66Å
50G89.8Confident94.6Very high9 Ų934.7 Ų34.79%0.09316%0.158CC..SBendtrans72.98.7-178.900000114.5S47 R48 V66S47-G50 WeakPolarHBondContact O-CA 3.3Å; S47-G50 PolarHBondContact O-N 2.73Å; R48-G50 PolarHBondContact O-N 2.86Å; G50-V66 WeakPolarHBondContact O-CG2 3.48Å
51Q89.7Confident94.5Very high104 Ų10432.7 Ų32.749%0.48615%0.149SC..SBendtrans-76.8-28179.7-66.8-171.6-5.600112.4S47 D49 V66S47-Q51 PolarHBondContact OG-N 2.85Å; D49-Q51 HydrophobicContact CB-CG 4.33Å; D49-Q51 PolarHBondContact O-N 2.88Å; D49-Q51 PolarHBondContact OD1-N 2.83Å; Q51-V66 WeakPolarHBondContact O-CB 3.07Å; Q51-V66 WeakPolarHBondContact O-CG2 3.4Å; Q51-V66 PolarHBondContact O-N 2.69Å
52Y92.4Very high94.3Very high39 Ų3933.2 Ų33.215%0.15315%0.151CC..EExtended strand (participates in β ladder)trans-125.2147.4-174.2-55.6-83.6000111.6F46 S47 I63 Y64 F73 W109F46-Y52 CarbonylContact C-O 3.58Å; F46-Y52 WeakPolarHBondContact CA-O 3.41Å; S47-Y52 PolarHBondContact N-O 2.74Å; S47-Y52 PolarHBondContact OG-N 2.91Å; S47-Y52 PolarHBondContact OG-O 3.25Å; Y52-I63 HydrophobicContact CD1-CG2 4.13Å; Y52-I63 HydrophobicContact CG-CG2 4.41Å; Y52-Y64 CarbonylContact C-O 3.59Å; Y52-Y64 VanDerWaalsContact CA-O 3.25Å; Y52-Y64 WeakPolarHBondContact CA-O 3.48Å; Y52-F73 HydrophobicContact CD1-CD1 4.45Å; Y52-F73 HydrophobicContact CE1-CD1 4.06Å; Y52-F73 HydrophobicContact CE1-CE1 4.13Å; Y52-W109 AromaticContact CD1-CH2 3.91Å; Y52-W109 HydrophobicContact CD1-CH2 3.91Å; Y52-W109 AromaticContact CD1-CZ3 4Å; Y52-W109 HydrophobicContact CD1-CZ3 4Å; Y52-W109 AromaticContact CD2-CH2 3.47Å; Y52-W109 HydrophobicContact CD2-CH2 3.47Å; Y52-W109 VanDerWaalsContact CD2-CH2 3.47Å; Y52-W109 HydrophobicContact CD2-CZ2 4.1Å; Y52-W109 HydrophobicContact CD2-CZ3 4.36Å; Y52-W109 AromaticContact CE1-CH2 3.9Å; Y52-W109 HydrophobicContact CE1-CH2 3.9Å; Y52-W109 AromaticContact CE1-CZ3 3.88Å; Y52-W109 HydrophobicContact CE1-CZ3 3.88Å; Y52-W109 AromaticContact CE2-CH2 3.51Å; Y52-W109 HydrophobicContact CE2-CH2 3.51Å; Y52-W109 HydrophobicContact CE2-CZ2 4.41Å; Y52-W109 HydrophobicContact CE2-CZ3 4.31Å; Y52-W109 AromaticContact CG-CH2 3.69Å; Y52-W109 HydrophobicContact CG-CH2 3.69Å; Y52-W109 HydrophobicContact CG-CZ2 4.39Å; Y52-W109 HydrophobicContact CG-CZ3 4.22Å; Y52-W109 AromaticContact CZ-CH2 3.7Å
53L95Very high94.1Very high0 Ų031.6 Ų31.60%014%0.142CC..EExtended strand (participates in β ladder)trans-124.2118.1173.5178.667.9000109A12 I20 F34 L44 F46 I63 Y64 V66 A308A12-L53 HydrophobicContact CB-CD1 4.07Å; A12-L53 HydrophobicContact CB-CD2 3.75Å; I20-L53 HydrophobicContact CG2-CD2 3.81Å; F34-L53 HydrophobicContact CD2-CD2 4.42Å; F34-L53 HydrophobicContact CE2-CD2 4.12Å; L44-L53 HydrophobicContact CB-CD1 4.49Å; L44-L53 HydrophobicContact CD2-CD1 4.2Å; L44-L53 HydrophobicContact CD2-CD2 4.25Å; L44-L53 HydrophobicContact CD2-CG 4.21Å; F46-L53 HydrophobicContact CD1-CB 4.15Å; F46-L53 HydrophobicContact CD1-CD1 3.82Å; F46-L53 HydrophobicContact CD2-CD1 4.34Å; F46-L53 HydrophobicContact CE1-CB 4.14Å; F46-L53 HydrophobicContact CE1-CD1 3.83Å; F46-L53 HydrophobicContact CE1-CD2 4.46Å; F46-L53 HydrophobicContact CE1-CG 4.37Å; F46-L53 HydrophobicContact CE2-CD1 4.35Å; F46-L53 HydrophobicContact CG-CD1 4.08Å; F46-L53 HydrophobicContact CZ-CD1 4.09Å; L53-I63 CarbonylContact O-C 3.53Å; L53-I63 WeakPolarHBondContact O-CA 3.25Å; L53-Y64 PolarHBondContact N-O 3.16Å; L53-Y64 PolarHBondContact O-N 3.36Å; L53-V66 HydrophobicContact CB-CG2 4.04Å; L53-A308 HydrophobicContact CD1-CB 3.93Å
54A95.8Very high93.9Very high0 Ų031 Ų310%014%0.138CC..EExtended strand (participates in β ladder)trans-88138.6172.600000110.6L44 E45 R62 V86 F88 M95L44-A54 VanDerWaalsContact CA-O 3.3Å; L44-A54 WeakPolarHBondContact CA-O 3.5Å; E45-A54 PolarHBondContact N-O 3.16Å; E45-A54 PolarHBondContact O-N 3.23Å; A54-R62 CarbonylContact C-O 3.43Å; A54-R62 WeakPolarHBondContact CA-O 3.47Å; A54-V86 HydrophobicContact CB-CB 4.49Å; A54-V86 HydrophobicContact CB-CG2 4.08Å; A54-F88 HydrophobicContact CB-CE2 3.5Å; A54-F88 HydrophobicContact CB-CZ 3.78Å; A54-M95 HydrophobicContact CB-CE 3.24Å; A54-M95 HydrophobicContact CB-SD 4.49Å
55A97.7Very high93.6Very high0 Ų033 Ų330%015%0.148CC..EExtended strand (participates in β ladder)trans-131119176.900000110.5I20 V41 A43 L44 V61 R62 Y64I20-A55 HydrophobicContact CD1-CB 3.59Å; V41-A55 HydrophobicContact CG1-CB 4.29Å; A43-A55 WeakPolarHBondContact O-CA 3.41Å; L44-A55 HydrophobicContact CD2-CB 3.69Å; A55-V61 CarbonylContact O-C 3.55Å; A55-V61 WeakPolarHBondContact O-CA 3.48Å; A55-R62 PolarHBondContact N-O 3.14Å; A55-R62 PolarHBondContact O-N 3.43Å; A55-Y64 HydrophobicContact CB-CE2 3.95Å
56G97.2Very high93.4Very high0 Ų029.3 Ų29.30%013%0.131CC..EExtended strand (participates in β ladder)trans-89.6133.5172.200000111.3N42 A43N42-G56 PolarHBondContact N-O 3.03Å; A43-G56 PolarHBondContact N-O 2.65Å; A43-G56 PolarHBondContact O-N 3.49Å
57G96.9Very high93.2Very high0 Ų036.5 Ų36.50%017%0.165CC..  trans-144.8-158.1173.100000111.9S39 G59 R60 V83S39-G57 WeakPolarHBondContact OG-CA 3.36Å; G57-G59 PolarHBondContact O-N 3.27Å; G57-R60 PolarHBondContact N-O 2.61Å; G57-V83 PolarHBondContact O-N 3.01Å
58Y96.7Very high93.1Very high133 Ų13337.2 Ų37.252%0.52217%0.172SC..BIsolated β-bridgetrans-67.7113.4176.8-173.2-100.2000111.2S39 R60S39-Y58 PolarHBondContact OG-N 2.8Å; Y58-R60 PolarHBondContact O-N 2.68Å
59G95Very high93.2Very high9 Ų936.7 Ų36.79%0.09318%0.182CC..SBendtrans69.6-4.1174.500000116G57 F79 K81G57-G59 PolarHBondContact O-N 3.27Å; G59-F79 CarbonylContact C-O 3.5Å; G59-F79 WeakPolarHBondContact CA-O 3.36Å; G59-F79 PolarHBondContact O-N 2.81Å; G59-K81 WeakPolarHBondContact CA-O 3.35Å; G59-K81 PolarHBondContact N-O 3.44Å
60R94.1Very high93.3Very high79 Ų7936 Ų3630%0.29819%0.185SC..  trans-141.8146.6-170.4-56.7-176.6-179.7149.41.9113E38 G57 Y58 V76E38-R60 IonicContact OE2-CZ 2.74Å; E38-R60 IonicContact OE2-NH1 2.89Å; E38-R60 PolarHBondContact OE2-NH1 2.88Å; E38-R60 IonicContact OE2-NH2 3.83Å; G57-R60 PolarHBondContact N-O 2.61Å; Y58-R60 PolarHBondContact O-N 2.68Å; R60-V76 CarbonylContact C-O 3.54Å; R60-V76 VanDerWaalsContact CA-O 3.24Å; R60-V76 WeakPolarHBondContact CA-O 3.46Å
61V94.6Very high93.4Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-109.5123.6160-1790000108.2A55 M75 V76 F79 V83 V86 M95 A97A55-V61 CarbonylContact O-C 3.55Å; A55-V61 WeakPolarHBondContact O-CA 3.48Å; V61-M75 WeakPolarHBondContact O-CA 3.48Å; V61-V76 HydrophobicContact CB-CB 4.27Å; V61-V76 PolarHBondContact N-O 3.31Å; V61-V76 PolarHBondContact O-N 2.68Å; V61-F79 HydrophobicContact CG2-CD2 4.37Å; V61-F79 HydrophobicContact CG2-CE2 3.89Å; V61-V83 HydrophobicContact CG2-CB 4.39Å; V61-V83 HydrophobicContact CG2-CG1 3.9Å; V61-V83 HydrophobicContact CG2-CG2 4.03Å; V61-V86 HydrophobicContact CG1-CG1 4.16Å; V61-V86 HydrophobicContact CG2-CG1 4.06Å; V61-M95 HydrophobicContact CG1-CE 4.11Å; V61-A97 HydrophobicContact CG2-CB 3.99Å
62R94.2Very high93.5Very high10 Ų1036.7 Ų36.74%0.03820%0.196CC..EExtended strand (participates in β ladder)trans-105.3133.8175.1-66.8178179.885.2-6.1109H36 N37 A54 A55 Y64 P72 M75H36-R62 PolarHBondContact CE1-NH1 3.49Å; H36-R62 PolarHBondContact NE2-NH1 2.98Å; N37-R62 PolarHBondContact O-NH2 2.82Å; N37-R62 VanDerWaalsContact O-NH2 3.09Å; A54-R62 CarbonylContact C-O 3.43Å; A54-R62 WeakPolarHBondContact CA-O 3.47Å; A55-R62 PolarHBondContact N-O 3.14Å; A55-R62 PolarHBondContact O-N 3.43Å; R62-Y64 HydrophobicContact CB-CE2 3.75Å; R62-Y64 WeakPolarHBondContact CD-OH 3.11Å; R62-P72 HydrophobicContact CB-CB 4.29Å; R62-P72 HydrophobicContact CB-CG 4.43Å; R62-P72 HydrophobicContact CG-CB 4.41Å; R62-P72 HydrophobicContact CG-CG 4.28Å; R62-M75 HydrophobicContact CG-CE 4.35Å; R62-M75 HydrophobicContact CG-CG 4.27Å
63I93.5Very high93.2Very high0 Ų040.5 Ų40.50%021%0.213CC..EExtended strand (participates in β ladder)trans-111.2128.2173.3-53.9174.2000107Y52 L53 P72 F73 V74 M95 W109Y52-I63 HydrophobicContact CD1-CG2 4.13Å; Y52-I63 HydrophobicContact CG-CG2 4.41Å; L53-I63 CarbonylContact O-C 3.53Å; L53-I63 WeakPolarHBondContact O-CA 3.25Å; I63-P72 CarbonylContact O-C 3.48Å; I63-F73 WeakPolarHBondContact O-CA 3.24Å; I63-F73 WeakPolarHBondContact O-CB 3.18Å; I63-F73 PolarHBondContact O-N 3Å; I63-V74 HydrophobicContact CB-CB 4.14Å; I63-V74 HydrophobicContact CD1-CB 4.12Å; I63-V74 HydrophobicContact CD1-CG1 4.19Å; I63-V74 HydrophobicContact CG1-CB 4.39Å; I63-V74 PolarHBondContact N-O 3.49Å; I63-V74 PolarHBondContact O-N 3.32Å; I63-M95 HydrophobicContact CD1-CE 4.22Å; I63-M95 HydrophobicContact CD1-SD 3.43Å; I63-M95 WeakPolarHBondContact CD1-SD 3.36Å; I63-M95 HydrophobicContact CG1-CE 4.27Å; I63-M95 HydrophobicContact CG1-SD 4.07Å; I63-W109 HydrophobicContact CD1-CB 3.48Å; I63-W109 VanDerWaalsContact CD1-CB 3.48Å; I63-W109 HydrophobicContact CD1-CD2 3.88Å; I63-W109 HydrophobicContact CD1-CE3 4.04Å; I63-W109 HydrophobicContact CD1-CG 3.65Å
64Y93.7Very high93Very high0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-108.8142.4177.1-60.2-89000109.5I20 F34 Q35 Y52 L53 A55 R62 P72I20-Y64 HydrophobicContact CD1-CD2 4.24Å; I20-Y64 HydrophobicContact CD1-CE2 3.56Å; F34-Y64 HydrophobicContact CB-CD1 3.9Å; F34-Y64 HydrophobicContact CB-CE1 3.61Å; F34-Y64 HydrophobicContact CB-CG 4.44Å; F34-Y64 AromaticContact CD1-CD1 3.37Å; F34-Y64 HydrophobicContact CD1-CD1 3.37Å; F34-Y64 AromaticContact CD1-CE1 3.96Å; F34-Y64 HydrophobicContact CD1-CE1 3.96Å; F34-Y64 AromaticContact CD1-CG 3.82Å; F34-Y64 HydrophobicContact CD1-CG 3.82Å; F34-Y64 HydrophobicContact CE1-CD1 4.05Å; F34-Y64 HydrophobicContact CE1-CG 4.2Å; F34-Y64 AromaticContact CG-CD1 3.75Å; F34-Y64 HydrophobicContact CG-CD1 3.75Å; F34-Y64 HydrophobicContact CG-CE1 4.01Å; F34-Y64 HydrophobicContact CG-CG 4.02Å; Q35-Y64 PolarHBondContact O-OH 3.38Å; Y52-Y64 CarbonylContact C-O 3.59Å; Y52-Y64 VanDerWaalsContact CA-O 3.25Å; Y52-Y64 WeakPolarHBondContact CA-O 3.48Å; L53-Y64 PolarHBondContact N-O 3.16Å; L53-Y64 PolarHBondContact O-N 3.36Å; A55-Y64 HydrophobicContact CB-CE2 3.95Å; R62-Y64 HydrophobicContact CB-CE2 3.75Å; R62-Y64 WeakPolarHBondContact CD-OH 3.11Å; Y64-P72 HydrophobicContact CD1-CB 4.49Å; Y64-P72 HydrophobicContact CD1-CG 4.39Å; Y64-P72 HydrophobicContact CE1-CB 4.15Å; Y64-P72 HydrophobicContact CE1-CG 3.62Å
65D92.2Very high92.8Very high50 Ų5044.6 Ų44.627%0.26724%0.235SC..EExtended strand (participates in β ladder)trans-76.7123.3160.3179.3-15000107.6Q67 G68D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 2.88Å; D65-Q67 PolarHBondContact OD1-N 3.4Å; D65-G68 VanDerWaalsContact CG-N 3.34Å; D65-G68 PolarHBondContact O-N 3.38Å; D65-G68 PolarHBondContact OD1-N 2.84Å; D65-G68 VanDerWaalsContact OD1-N 3.1Å
66V92.3Very high92.4Very high5 Ų544.7 Ų44.73%0.0324%0.235CC..SBendtrans-65.4-32.3-175.6169.10000112.2M22 F46 G50 Q51 L53M22-V66 HydrophobicContact CE-CG1 3.58Å; M22-V66 HydrophobicContact SD-CG1 3.95Å; F46-V66 HydrophobicContact CD1-CG2 4.05Å; F46-V66 HydrophobicContact CE1-CG2 3.8Å; G50-V66 WeakPolarHBondContact O-CG2 3.48Å; Q51-V66 WeakPolarHBondContact O-CB 3.07Å; Q51-V66 WeakPolarHBondContact O-CG2 3.4Å; Q51-V66 PolarHBondContact O-N 2.69Å; L53-V66 HydrophobicContact CB-CG2 4.04Å
67Q90.4Very high92.1Very high163 Ų16347.9 Ų47.976%0.76226%0.258SS*.SBendtrans-102.4-4.4178.2-60.2-61.2-33.100112.3D65D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 2.88Å; D65-Q67 PolarHBondContact OD1-N 3.4Å
68G90Very high91.8Very high15 Ų1551.9 Ų51.916%0.15528%0.279CS..SBendtrans-82.6-171.1-177.300000113.9Q32 D65Q32-G68 PolarHBondContact NE2-O 3.47Å; Q32-G68 VanDerWaalsContact NE2-O 3.12Å; D65-G68 VanDerWaalsContact CG-N 3.34Å; D65-G68 PolarHBondContact O-N 3.38Å; D65-G68 PolarHBondContact OD1-N 2.84Å; D65-G68 VanDerWaalsContact OD1-N 3.1Å
69P89Confident91.6Very high91 Ų9146.1 Ų46.159%0.59126%0.257SS*.  trans-60.7152.9173.327.6-34000110.7T71P69-T71 PolarHBondContact O-N 3.13Å
70A89.7Confident91.7Very high49 Ų4950.5 Ų50.541%0.40528%0.282SS..SBendtrans-71.339.8178.200000113.8G33 F34G33-A70 WeakPolarHBondContact O-CB 3.46Å; F34-A70 HydrophobicContact CD1-CB 4.37Å
71T90.9Very high91.8Very high80 Ų8051.4 Ų51.449%0.49129%0.288SS..SBendtrans-129.6147.1-178.253.90000109.9P69 F73P69-T71 PolarHBondContact O-N 3.13Å; T71-F73 PolarHBondContact O-N 2.84Å
72P91.7Very high92Very high47 Ų4752.5 Ų52.531%0.30529%0.294SS..  trans-58.3129.3176.7-22.132.7000111.7R62 I63 Y64 M75R62-P72 HydrophobicContact CB-CB 4.29Å; R62-P72 HydrophobicContact CB-CG 4.43Å; R62-P72 HydrophobicContact CG-CB 4.41Å; R62-P72 HydrophobicContact CG-CG 4.28Å; I63-P72 CarbonylContact O-C 3.48Å; Y64-P72 HydrophobicContact CD1-CB 4.49Å; Y64-P72 HydrophobicContact CD1-CG 4.39Å; Y64-P72 HydrophobicContact CE1-CB 4.15Å; Y64-P72 HydrophobicContact CE1-CG 3.62Å; P72-M75 HydrophobicContact CB-CE 4.35Å; P72-M75 HydrophobicContact CG-CE 4.17Å
73F87.5Confident92.2Very high120 Ų12052 Ų5253%0.52629%0.292SS..SBendtrans-75.8-41.2172.7177.1-108.7000111.4Y52 I63 T71 W109Y52-F73 HydrophobicContact CD1-CD1 4.45Å; Y52-F73 HydrophobicContact CE1-CD1 4.06Å; Y52-F73 HydrophobicContact CE1-CE1 4.13Å; I63-F73 WeakPolarHBondContact O-CA 3.24Å; I63-F73 WeakPolarHBondContact O-CB 3.18Å; I63-F73 PolarHBondContact O-N 3Å; T71-F73 PolarHBondContact O-N 2.84Å; F73-W109 HydrophobicContact CE1-CZ3 4.18Å
74V89.8Confident92.4Very high21 Ų2153.7 Ų53.713%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-135.3146.3175.1172.90000109.8I63 V76 W116I63-V74 HydrophobicContact CB-CB 4.14Å; I63-V74 HydrophobicContact CD1-CB 4.12Å; I63-V74 HydrophobicContact CD1-CG1 4.19Å; I63-V74 HydrophobicContact CG1-CB 4.39Å; I63-V74 PolarHBondContact N-O 3.49Å; I63-V74 PolarHBondContact O-N 3.32Å; V74-V76 HydrophobicContact CG1-CG2 4.3Å; V74-W116 HydrophobicContact CG1-CH2 4.4Å; V74-W116 HydrophobicContact CG1-CZ2 3.91Å
75M90.7Very high92.6Very high65 Ų6554.3 Ų54.332%0.3230%0.304SS..EExtended strand (participates in β ladder)trans-135.8104.4178.5-173-179.4-56.900111.6V61 R62 P72 W116V61-M75 WeakPolarHBondContact O-CA 3.48Å; R62-M75 HydrophobicContact CG-CE 4.35Å; R62-M75 HydrophobicContact CG-CG 4.27Å; P72-M75 HydrophobicContact CB-CE 4.35Å; P72-M75 HydrophobicContact CG-CE 4.17Å; M75-W116 WeakPolarHBondContact O-CH2 2.84Å; M75-W116 WeakPolarHBondContact O-CZ3 3.21Å
76V90.9Very high92.9Very high1 Ų152.5 Ų52.51%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-87.1111.3176.6-175.10000109.3R60 V61 V74 D78 I107 W116 I117R60-V76 CarbonylContact C-O 3.54Å; R60-V76 VanDerWaalsContact CA-O 3.24Å; R60-V76 WeakPolarHBondContact CA-O 3.46Å; V61-V76 HydrophobicContact CB-CB 4.27Å; V61-V76 PolarHBondContact N-O 3.31Å; V61-V76 PolarHBondContact O-N 2.68Å; V74-V76 HydrophobicContact CG1-CG2 4.3Å; V76-D78 HydrophobicContact CG1-CB 4.37Å; V76-I107 HydrophobicContact CG1-CD1 4.24Å; V76-I107 HydrophobicContact CG2-CG2 3.93Å; V76-W116 HydrophobicContact CB-CE3 4.01Å; V76-W116 HydrophobicContact CB-CZ3 4.27Å; V76-W116 HydrophobicContact CG1-CE3 3.97Å; V76-W116 HydrophobicContact CG2-CD2 4.06Å; V76-W116 HydrophobicContact CG2-CE3 3.71Å; V76-W116 HydrophobicContact CG2-CZ3 4.18Å; V76-I117 HydrophobicContact CG1-CD1 4.11Å
77S90.8Very high93.1Very high68 Ų6852.3 Ų52.348%0.47630%0.295SS..  trans-112.743.4-174.1-56.30000113
78D89.3Confident93.3Very high84 Ų8445.3 Ų45.345%0.44926%0.262SS..  trans-104.37.3-173.1-153.7-121.1000112.7V76 K105 I117V76-D78 HydrophobicContact CG1-CB 4.37Å; D78-K105 PolarHBondContact O-NZ 3.32Å; D78-K105 IonicContact OD1-NZ 3.84Å; D78-K105 PolarHBondContact OD1-NZ 3.44Å; D78-I117 HydrophobicContact CB-CG1 4.49Å
79F94.2Very high93.4Very high12 Ų1245 Ų455%0.05326%0.256CS..  trans-105.1147.6179.5-62.6-85.2000110.8G59 V61 V83 A97 A99 V103 K105 I107G59-F79 CarbonylContact C-O 3.5Å; G59-F79 WeakPolarHBondContact CA-O 3.36Å; G59-F79 PolarHBondContact O-N 2.81Å; V61-F79 HydrophobicContact CG2-CD2 4.37Å; V61-F79 HydrophobicContact CG2-CE2 3.89Å; F79-V83 HydrophobicContact CB-CG2 3.94Å; F79-V83 HydrophobicContact CD1-CG2 4.13Å; F79-V83 HydrophobicContact CD2-CG2 3.55Å; F79-V83 HydrophobicContact CE2-CG2 4.04Å; F79-V83 HydrophobicContact CG-CG2 3.6Å; F79-A97 HydrophobicContact CE1-CB 4.48Å; F79-A97 HydrophobicContact CE2-CB 4.09Å; F79-A97 HydrophobicContact CZ-CB 3.6Å; F79-A99 HydrophobicContact CD1-CB 3.42Å; F79-A99 VanDerWaalsContact CD1-CB 3.42Å; F79-A99 HydrophobicContact CE1-CB 3.88Å; F79-A99 HydrophobicContact CG-CB 4.24Å; F79-V103 HydrophobicContact CD1-CG2 3.68Å; F79-V103 HydrophobicContact CE1-CG2 3.73Å; F79-K105 HydrophobicContact CD1-CD 4.49Å; F79-K105 HydrophobicContact CE1-CB 4.48Å; F79-K105 HydrophobicContact CE1-CD 3.79Å; F79-K105 HydrophobicContact CE1-CG 4Å; F79-K105 HydrophobicContact CE2-CD 4.42Å; F79-K105 HydrophobicContact CZ-CB 4.07Å; F79-K105 HydrophobicContact CZ-CD 3.73Å; F79-K105 HydrophobicContact CZ-CG 4.02Å; F79-I107 HydrophobicContact CE2-CD1 4.5Å
80T96.1Very high93.4Very high100 Ų10044.2 Ų44.261%0.61325%0.247SC*.SBendtrans-102.4-10.1-178.561.30000113.4D101T80-D101 PolarHBondContact N-OD2 3Å; T80-D101 WeakPolarHBondContact OG1-CB 3.3Å; T80-D101 PolarHBondContact OG1-OD2 3.41Å
81K97.3Very high93.3Very high98 Ų9846.5 Ų46.543%0.42626%0.256SS..SBendtrans-139.6-170179.1-64.6-170.1175.8-170.50111.4G59 V83 E100 D101G59-K81 WeakPolarHBondContact CA-O 3.35Å; G59-K81 PolarHBondContact N-O 3.44Å; K81-V83 PolarHBondContact O-N 2.85Å; K81-E100 HydrophobicContact CB-CB 3.76Å; K81-E100 HydrophobicContact CD-CB 3.9Å; K81-D101 HydrophobicContact CB-CB 4.17Å; K81-D101 HydrophobicContact CD-CB 4.25Å; K81-D101 HydrophobicContact CG-CB 4.06Å
82N97.6Very high93Very high24 Ų2442.8 Ų42.813%0.12823%0.234CC..BIsolated β-bridgetrans-58.5129.3176.5-68.2-47.7000111.6Q40 N42 A99 E100Q40-N82 PolarHBondContact NE2-OD1 3.3Å; N42-N82 WeakPolarHBondContact ND2-CB 3.3Å; N42-N82 PolarHBondContact ND2-OD1 3.48Å; N82-A99 CarbonylContact O-C 3.55Å; N82-A99 WeakPolarHBondContact O-CA 3.1Å; N82-A99 VanDerWaalsContact O-CB 3.24Å; N82-A99 WeakPolarHBondContact O-CB 3.44Å; N82-E100 HydrophobicContact CB-CG 3.98Å; N82-E100 WeakPolarHBondContact CB-OE1 3.48Å; N82-E100 PolarHBondContact ND2-OE1 2.86Å; N82-E100 PolarHBondContact ND2-OE2 2.88Å; N82-E100 PolarHBondContact O-N 3.25Å
83V98.1Very high92.6Very high0 Ų043.7 Ų43.70%024%0.236CC..EExtended strand (participates in β ladder)trans-81.9113.6162.8-176.50000107.2N42 G57 V61 F79 K81 T85 V86 A97 A99N42-V83 VanDerWaalsContact CB-O 3.3Å; N42-V83 WeakPolarHBondContact CB-O 3.07Å; N42-V83 PolarHBondContact ND2-O 2.77Å; G57-V83 PolarHBondContact O-N 3.01Å; V61-V83 HydrophobicContact CG2-CB 4.39Å; V61-V83 HydrophobicContact CG2-CG1 3.9Å; V61-V83 HydrophobicContact CG2-CG2 4.03Å; F79-V83 HydrophobicContact CB-CG2 3.94Å; F79-V83 HydrophobicContact CD1-CG2 4.13Å; F79-V83 HydrophobicContact CD2-CG2 3.55Å; F79-V83 HydrophobicContact CE2-CG2 4.04Å; F79-V83 HydrophobicContact CG-CG2 3.6Å; K81-V83 PolarHBondContact O-N 2.85Å; V83-T85 WeakPolarHBondContact CG1-O 3.43Å; V83-V86 HydrophobicContact CG1-CG1 3.8Å; V83-A97 HydrophobicContact CG1-CB 4.02Å; V83-A99 HydrophobicContact CG2-CB 4.31Å
84N98.2Very high92.8Very high34 Ų3439.9 Ų39.918%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-95.2-17.6-173.8-70.8-20.3000113.2G98 E100 I127N84-G98 PolarHBondContact N-O 3.31Å; N84-E100 VanDerWaalsContact ND2-CG 3.25Å; N84-E100 WeakPolarHBondContact ND2-CG 3.07Å; N84-I127 PolarHBondContact ND2-O 3.24Å
85T98.4Very high93Very high13 Ų1338.9 Ų38.98%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-148.7139.9-175.9-172.30000109.3V83 A97 G98 I127 M130V83-T85 WeakPolarHBondContact CG1-O 3.43Å; T85-A97 VanDerWaalsContact O-CA 3.3Å; T85-A97 WeakPolarHBondContact O-CA 3.28Å; T85-G98 PolarHBondContact N-O 3.22Å; T85-G98 PolarHBondContact O-N 3.3Å; T85-I127 HydrophobicContact CG2-CG2 4.16Å; T85-M130 HydrophobicContact CG2-CB 3.57Å; T85-M130 HydrophobicContact CG2-CG 3.53Å; T85-M130 HydrophobicContact CG2-SD 3.73Å; T85-M130 PolarHBondContact OG1-N 3.46Å; T85-M130 PolarHBondContact OG1-O 2.77Å
86V97.7Very high93.3Very high12 Ų1236.2 Ų36.27%0.07320%0.199CC..EExtended strand (participates in β ladder)trans-137.3154.4172.2-63.10000108.1A43 E45 A54 V61 V83 F96 A97A43-V86 HydrophobicContact CB-CG2 3.92Å; E45-V86 HydrophobicContact CB-CG2 4.1Å; A54-V86 HydrophobicContact CB-CB 4.49Å; A54-V86 HydrophobicContact CB-CG2 4.08Å; V61-V86 HydrophobicContact CG1-CG1 4.16Å; V61-V86 HydrophobicContact CG2-CG1 4.06Å; V83-V86 HydrophobicContact CG1-CG1 3.8Å; V86-F96 CarbonylContact C-O 3.52Å; V86-F96 VanDerWaalsContact CA-O 3.3Å; V86-F96 WeakPolarHBondContact CA-O 3.49Å; V86-A97 HydrophobicContact CG1-CB 4.14Å
87G96.3Very high93.6Very high2 Ų236.2 Ų36.22%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-163.1165167.900000113M95 F96G87-M95 CarbonylContact O-C 3.57Å; G87-M95 WeakPolarHBondContact O-CA 3.35Å; G87-M95 VanDerWaalsContact O-CB 3.32Å; G87-M95 WeakPolarHBondContact O-CB 3.29Å; G87-F96 VanDerWaalsContact C-CE1 3.46Å; G87-F96 VanDerWaalsContact CA-CE1 3.47Å; G87-F96 VanDerWaalsContact CA-CZ 3.43Å; G87-F96 PolarHBondContact N-O 3.34Å; G87-F96 WeakPolarHBondContact O-CD1 3.27Å; G87-F96 PolarHBondContact O-N 2.96Å
88F94.4Very high93.9Very high16 Ų1633 Ų337%0.0718%0.176CC..EExtended strand (participates in β ladder)trans-105.6155.7175.7-71.3-92.2000110.2E45 A54 M95 W109E45-F88 HydrophobicContact CB-CD2 4.37Å; E45-F88 HydrophobicContact CG-CD2 3.96Å; E45-F88 WeakPolarHBondContact O-CE2 3.48Å; A54-F88 HydrophobicContact CB-CE2 3.5Å; A54-F88 HydrophobicContact CB-CZ 3.78Å; F88-M95 HydrophobicContact CD1-CG 3.27Å; F88-M95 HydrophobicContact CD1-SD 3.95Å; F88-M95 HydrophobicContact CD2-CG 4.44Å; F88-M95 HydrophobicContact CE1-CE 4.16Å; F88-M95 HydrophobicContact CE1-CG 3.28Å; F88-M95 HydrophobicContact CE1-SD 3.26Å; F88-M95 WeakPolarHBondContact CE1-SD 3.25Å; F88-M95 HydrophobicContact CE2-CE 4.15Å; F88-M95 HydrophobicContact CE2-CG 4.44Å; F88-M95 HydrophobicContact CE2-SD 4.31Å; F88-M95 HydrophobicContact CG-CG 3.9Å; F88-M95 HydrophobicContact CZ-CE 3.82Å; F88-M95 HydrophobicContact CZ-CG 3.91Å; F88-M95 HydrophobicContact CZ-SD 3.48Å; F88-M95 WeakPolarHBondContact CZ-SD 3.41Å; F88-W109 HydrophobicContact CE1-CZ2 4.2Å; F88-W109 AromaticContact CE1-NE1 3.76Å
89N93.7Very high94.4Very high8 Ų829 Ų294%0.04315%0.154CC..  trans-80.5167.9162.684.3-56.6000111.7T91 G92 N93 W94 L132N89-T91 PolarHBondContact ND2-N 3.28Å; N89-T91 PolarHBondContact ND2-OG1 3.41Å; N89-T91 PolarHBondContact O-N 3.09Å; N89-T91 VanDerWaalsContact O-N 3.13Å; N89-G92 PolarHBondContact O-N 2.89Å; N89-G92 WeakPolarHBondContact OD1-CA 3.43Å; N89-G92 PolarHBondContact OD1-N 2.79Å; N89-N93 PolarHBondContact ND2-OD1 2.93Å; N89-N93 PolarHBondContact OD1-N 2.84Å; N89-N93 PolarHBondContact OD1-OD1 2.85Å; N89-W94 HydrophobicContact CB-CD2 3.55Å; N89-W94 HydrophobicContact CB-CE3 4.01Å; N89-W94 HydrophobicContact CB-CG 4.12Å; N89-W94 HydrophobicContact CB-CH2 3.81Å; N89-W94 HydrophobicContact CB-CZ2 3.32Å; N89-W94 HydrophobicContact CB-CZ3 4.13Å; N89-W94 PolarHBondContact N-O 2.95Å; N89-W94 VanDerWaalsContact N-O 3.08Å; N89-W94 PolarHBondContact ND2-NE1 2.98Å; N89-W94 PolarHBondContact OD1-N 3.31Å; N89-W94 PolarHBondContact OD1-O 2.95Å; N89-L132 HydrophobicContact CB-CD2 4.01Å
90D89Confident94.6Very high75 Ų7531.1 Ų31.140%0.40117%0.165SC..THydrogen-bonded Turntrans-59-29.2-175.5-91.426000114.8R48 Q136R48-D90 WeakPolarHBondContact CD-O 3.46Å; R48-D90 IonicContact CZ-OD2 2.68Å; R48-D90 PolarHBondContact NH1-O 3.45Å; R48-D90 IonicContact NH1-OD1 3.85Å; R48-D90 IonicContact NH1-OD2 2.74Å; R48-D90 PolarHBondContact NH1-OD2 3.1Å; D90-Q136 HydrophobicContact CB-CG 4.32Å; D90-Q136 VanDerWaalsContact CB-OE1 3.32Å; D90-Q136 PolarHBondContact OD1-NE2 2.84Å; D90-Q136 PolarHBondContact OD1-OE1 3.27Å
91T86.2Confident94.6Very high97 Ų9727.4 Ų27.460%0.59514%0.141SC*.THydrogen-bonded Turntrans-94.3-4.4178.266.20000113N89 N93N89-T91 PolarHBondContact ND2-N 3.28Å; N89-T91 PolarHBondContact ND2-OG1 3.41Å; N89-T91 PolarHBondContact O-N 3.09Å; N89-T91 VanDerWaalsContact O-N 3.13Å; T91-N93 PolarHBondContact O-N 2.94Å; T91-N93 VanDerWaalsContact OG1-CG 3.23Å; T91-N93 PolarHBondContact OG1-OD1 2.85Å
92G84.3Confident94.6Very high1 Ų128.6 Ų28.61%0.0114%0.143CC..SBendtrans66.810.7-17800000114.9N89 W109 R110N89-G92 PolarHBondContact O-N 2.89Å; N89-G92 WeakPolarHBondContact OD1-CA 3.43Å; N89-G92 PolarHBondContact OD1-N 2.79Å; G92-W109 VanDerWaalsContact O-CZ2 3.27Å; G92-W109 WeakPolarHBondContact O-CZ2 3.45Å; G92-W109 PolarHBondContact O-NE1 3.13Å; G92-W109 VanDerWaalsContact O-NE1 3.17Å; G92-R110 PolarHBondContact O-NH1 2.89Å; G92-R110 PolarHBondContact O-NH2 3.03Å; G92-R110 VanDerWaalsContact O-NH2 3.15Å
93N84.7Confident94.6Very high66 Ų6628.1 Ų28.135%0.35314%0.141SC..SBendtrans-80.4-22.9-179.468.6-25.2000113.6N89 T91 R110N89-N93 PolarHBondContact ND2-OD1 2.93Å; N89-N93 PolarHBondContact OD1-N 2.84Å; N89-N93 PolarHBondContact OD1-OD1 2.85Å; T91-N93 PolarHBondContact O-N 2.94Å; T91-N93 VanDerWaalsContact OG1-CG 3.23Å; T91-N93 PolarHBondContact OG1-OD1 2.85Å; N93-R110 VanDerWaalsContact CA-NH1 3.33Å
94W91.2Very high94.6Very high41 Ų4128.1 Ų28.116%0.15514%0.141CC..  trans-137.8162.5173.661.4-96.9000111.2N89 F96 I106 I107 L132 I139 L153N89-W94 HydrophobicContact CB-CD2 3.55Å; N89-W94 HydrophobicContact CB-CE3 4.01Å; N89-W94 HydrophobicContact CB-CG 4.12Å; N89-W94 HydrophobicContact CB-CH2 3.81Å; N89-W94 HydrophobicContact CB-CZ2 3.32Å; N89-W94 HydrophobicContact CB-CZ3 4.13Å; N89-W94 PolarHBondContact N-O 2.95Å; N89-W94 VanDerWaalsContact N-O 3.08Å; N89-W94 PolarHBondContact ND2-NE1 2.98Å; N89-W94 PolarHBondContact OD1-N 3.31Å; N89-W94 PolarHBondContact OD1-O 2.95Å; W94-F96 HydrophobicContact CZ3-CB 4.34Å; W94-F96 AromaticContact CZ3-CD1 3.88Å; W94-F96 HydrophobicContact CZ3-CD1 3.88Å; W94-I106 HydrophobicContact CB-CG2 4.34Å; W94-I106 HydrophobicContact CD2-CG2 4.23Å; W94-I106 HydrophobicContact CE3-CD1 4.29Å; W94-I106 HydrophobicContact CE3-CG2 3.87Å; W94-I106 HydrophobicContact CG-CG2 4.46Å; W94-I106 HydrophobicContact CZ3-CD1 3.97Å; W94-I107 CarbonylContact C-O 3.58Å; W94-I107 WeakPolarHBondContact CA-O 3.23Å; W94-L132 HydrophobicContact CH2-CD1 3.65Å; W94-L132 HydrophobicContact CH2-CD2 3.68Å; W94-L132 HydrophobicContact CH2-CG 4.32Å; W94-L132 HydrophobicContact CZ2-CD1 4.38Å; W94-L132 HydrophobicContact CZ2-CD2 4.2Å; W94-L132 HydrophobicContact CZ3-CD2 4.39Å; W94-I139 HydrophobicContact CZ3-CD1 4.35Å; W94-L153 HydrophobicContact CH2-CD1 3.72Å; W94-L153 HydrophobicContact CZ2-CD1 4.12Å; W94-L153 HydrophobicContact CZ3-CD1 4.3Å
95M94Very high94.4Very high0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-127.5163178.7-70.9170.264.700110.4A54 V61 I63 G87 F88 I106 I107 W109A54-M95 HydrophobicContact CB-CE 3.24Å; A54-M95 HydrophobicContact CB-SD 4.49Å; V61-M95 HydrophobicContact CG1-CE 4.11Å; I63-M95 HydrophobicContact CD1-CE 4.22Å; I63-M95 HydrophobicContact CD1-SD 3.43Å; I63-M95 WeakPolarHBondContact CD1-SD 3.36Å; I63-M95 HydrophobicContact CG1-CE 4.27Å; I63-M95 HydrophobicContact CG1-SD 4.07Å; G87-M95 CarbonylContact O-C 3.57Å; G87-M95 WeakPolarHBondContact O-CA 3.35Å; G87-M95 VanDerWaalsContact O-CB 3.32Å; G87-M95 WeakPolarHBondContact O-CB 3.29Å; F88-M95 HydrophobicContact CD1-CG 3.27Å; F88-M95 HydrophobicContact CD1-SD 3.95Å; F88-M95 HydrophobicContact CD2-CG 4.44Å; F88-M95 HydrophobicContact CE1-CE 4.16Å; F88-M95 HydrophobicContact CE1-CG 3.28Å; F88-M95 HydrophobicContact CE1-SD 3.26Å; F88-M95 WeakPolarHBondContact CE1-SD 3.25Å; F88-M95 HydrophobicContact CE2-CE 4.15Å; F88-M95 HydrophobicContact CE2-CG 4.44Å; F88-M95 HydrophobicContact CE2-SD 4.31Å; F88-M95 HydrophobicContact CG-CG 3.9Å; F88-M95 HydrophobicContact CZ-CE 3.82Å; F88-M95 HydrophobicContact CZ-CG 3.91Å; F88-M95 HydrophobicContact CZ-SD 3.48Å; F88-M95 WeakPolarHBondContact CZ-SD 3.41Å; M95-I106 CarbonylContact O-C 3.56Å; M95-I106 WeakPolarHBondContact O-CA 3.3Å; M95-I107 HydrophobicContact CB-CB 4.2Å; M95-I107 PolarHBondContact N-O 2.91Å; M95-I107 PolarHBondContact O-N 2.97Å; M95-W109 HydrophobicContact CG-CG 4.48Å; M95-W109 HydrophobicContact SD-CB 4.37Å; M95-W109 HydrophobicContact SD-CG 3.88Å
96F96.3Very high94.3Very high9 Ų926.8 Ų26.84%0.03913%0.132CC..EExtended strand (participates in β ladder)trans-123.6152.8166.460.4-87.7000110.1V86 G87 W94 K105 I106 M130 L132 I139V86-F96 CarbonylContact C-O 3.52Å; V86-F96 VanDerWaalsContact CA-O 3.3Å; V86-F96 WeakPolarHBondContact CA-O 3.49Å; G87-F96 VanDerWaalsContact C-CE1 3.46Å; G87-F96 VanDerWaalsContact CA-CE1 3.47Å; G87-F96 VanDerWaalsContact CA-CZ 3.43Å; G87-F96 PolarHBondContact N-O 3.34Å; G87-F96 WeakPolarHBondContact O-CD1 3.27Å; G87-F96 PolarHBondContact O-N 2.96Å; W94-F96 HydrophobicContact CZ3-CB 4.34Å; W94-F96 AromaticContact CZ3-CD1 3.88Å; W94-F96 HydrophobicContact CZ3-CD1 3.88Å; F96-K105 CarbonylContact C-O 3.56Å; F96-K105 VanDerWaalsContact CA-O 3.23Å; F96-K105 WeakPolarHBondContact CA-O 3.49Å; F96-I106 HydrophobicContact CB-CD1 3.79Å; F96-M130 HydrophobicContact CB-CE 4.01Å; F96-M130 HydrophobicContact CD2-CB 3.8Å; F96-M130 HydrophobicContact CD2-CE 3.73Å; F96-M130 HydrophobicContact CD2-SD 4.32Å; F96-M130 HydrophobicContact CE2-CB 3.65Å; F96-M130 HydrophobicContact CG-CE 4.24Å; F96-L132 HydrophobicContact CD1-CB 4.39Å; F96-L132 HydrophobicContact CE1-CB 3.59Å; F96-L132 HydrophobicContact CE1-CD2 4.27Å; F96-L132 HydrophobicContact CZ-CB 4Å; F96-I139 HydrophobicContact CB-CD1 3.73Å; F96-I139 HydrophobicContact CD1-CD1 4.15Å; F96-I139 HydrophobicContact CD2-CD1 4.49Å; F96-I139 HydrophobicContact CG-CD1 3.88Å
97A97.8Very high94.1Very high0 Ų026.2 Ų26.20%013%0.129CC..EExtended strand (participates in β ladder)trans-146.2143173.800000110.6V61 F79 V83 T85 V86 A104 K105 I107V61-A97 HydrophobicContact CG2-CB 3.99Å; F79-A97 HydrophobicContact CE1-CB 4.48Å; F79-A97 HydrophobicContact CE2-CB 4.09Å; F79-A97 HydrophobicContact CZ-CB 3.6Å; V83-A97 HydrophobicContact CG1-CB 4.02Å; T85-A97 VanDerWaalsContact O-CA 3.3Å; T85-A97 WeakPolarHBondContact O-CA 3.28Å; V86-A97 HydrophobicContact CG1-CB 4.14Å; A97-A104 CarbonylContact O-C 3.57Å; A97-A104 WeakPolarHBondContact O-CA 3.47Å; A97-K105 PolarHBondContact N-O 2.76Å; A97-K105 PolarHBondContact O-N 2.9Å; A97-I107 HydrophobicContact CB-CD1 3.93Å
98G98.2Very high93.7Very high0 Ų028.5 Ų28.50%014%0.141CC..EExtended strand (participates in β ladder)trans-129.5138.4179.900000110.9N84 T85 M130N84-G98 PolarHBondContact N-O 3.31Å; T85-G98 PolarHBondContact N-O 3.22Å; T85-G98 PolarHBondContact O-N 3.3Å; G98-M130 WeakPolarHBondContact CA-SD 3.44Å; G98-M130 PolarHBondContact N-SD 3Å; G98-M130 VanDerWaalsContact N-SD 3.44Å
99A98.1Very high92.9Very high0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-135.8164.3-170.300000113.9F79 N82 V83 D101 R102 V103 I127F79-A99 HydrophobicContact CD1-CB 3.42Å; F79-A99 VanDerWaalsContact CD1-CB 3.42Å; F79-A99 HydrophobicContact CE1-CB 3.88Å; F79-A99 HydrophobicContact CG-CB 4.24Å; N82-A99 CarbonylContact O-C 3.55Å; N82-A99 WeakPolarHBondContact O-CA 3.1Å; N82-A99 VanDerWaalsContact O-CB 3.24Å; N82-A99 WeakPolarHBondContact O-CB 3.44Å; V83-A99 HydrophobicContact CG2-CB 4.31Å; A99-D101 WeakPolarHBondContact CB-OD1 3.3Å; A99-D101 PolarHBondContact O-N 3.23Å; A99-R102 PolarHBondContact O-N 3.17Å; A99-V103 PolarHBondContact N-O 3.44Å; A99-I127 PolarHBondContact O-N 3.13Å
100E98.2Very high92Very high58 Ų5833.2 Ų33.227%0.27116%0.158SC..THydrogen-bonded Turntrans-65.8-19179.7-70.8178.8-177.500113.9K81 N82 N84 R102 S126K81-E100 HydrophobicContact CB-CB 3.76Å; K81-E100 HydrophobicContact CD-CB 3.9Å; N82-E100 HydrophobicContact CB-CG 3.98Å; N82-E100 WeakPolarHBondContact CB-OE1 3.48Å; N82-E100 PolarHBondContact ND2-OE1 2.86Å; N82-E100 PolarHBondContact ND2-OE2 2.88Å; N82-E100 PolarHBondContact O-N 3.25Å; N84-E100 VanDerWaalsContact ND2-CG 3.25Å; N84-E100 WeakPolarHBondContact ND2-CG 3.07Å; E100-R102 PolarHBondContact O-N 2.87Å; E100-S126 PolarHBondContact O-OG 2.84Å
101D97Very high91.1Very high21 Ų2132.4 Ų32.411%0.11216%0.161CC..THydrogen-bonded Turntrans-76.38.1171.760.20.5000113T80 K81 A99 V103 Q122T80-D101 PolarHBondContact N-OD2 3Å; T80-D101 WeakPolarHBondContact OG1-CB 3.3Å; T80-D101 PolarHBondContact OG1-OD2 3.41Å; K81-D101 HydrophobicContact CB-CB 4.17Å; K81-D101 HydrophobicContact CD-CB 4.25Å; K81-D101 HydrophobicContact CG-CB 4.06Å; A99-D101 WeakPolarHBondContact CB-OD1 3.3Å; A99-D101 PolarHBondContact O-N 3.23Å; D101-V103 VanDerWaalsContact C-N 3.29Å; D101-V103 PolarHBondContact O-N 3.21Å; D101-V103 WeakPolarHBondContact OD1-CG2 3.48Å; D101-Q122 PolarHBondContact O-NE2 3.02Å
102R97.5Very high90Very high123 Ų12329.5 Ų29.546%0.46415%0.151SC..SBendtrans74.117.1170-37.1171.3-73.3-165.2-1.2113.2A99 E100 Q122 T123 S125A99-R102 PolarHBondContact O-N 3.17Å; E100-R102 PolarHBondContact O-N 2.87Å; R102-Q122 PolarHBondContact O-NE2 2.98Å; R102-T123 WeakPolarHBondContact CA-OG1 3.38Å; R102-T123 WeakPolarHBondContact CB-OG1 3.26Å; R102-T123 PolarHBondContact O-N 3.41Å; R102-T123 PolarHBondContact O-OG1 3.47Å; R102-S125 WeakPolarHBondContact CB-O 3.43Å; R102-S125 VanDerWaalsContact CG-C 3.48Å; R102-S125 WeakPolarHBondContact CG-O 3.41Å
103V97.1Very high88.9Confident14 Ų1431.7 Ų31.79%0.08517%0.173CC..EExtended strand (participates in β ladder)trans-102.3129.9176-620000111.3F79 A99 D101 K105 I127F79-V103 HydrophobicContact CD1-CG2 3.68Å; F79-V103 HydrophobicContact CE1-CG2 3.73Å; A99-V103 PolarHBondContact N-O 3.44Å; D101-V103 VanDerWaalsContact C-N 3.29Å; D101-V103 PolarHBondContact O-N 3.21Å; D101-V103 WeakPolarHBondContact OD1-CG2 3.48Å; V103-K105 HydrophobicContact CG2-CD 4.45Å; V103-K105 HydrophobicContact CG2-CG 4.39Å; V103-I127 VanDerWaalsContact C-CD1 3.45Å; V103-I127 WeakPolarHBondContact O-CD1 3.47Å
104A97.5Very high87.6Confident0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-98.3134.3160.600000108.2A97 I120 Y121 I127 M130 I141 W151A97-A104 CarbonylContact O-C 3.57Å; A97-A104 WeakPolarHBondContact O-CA 3.47Å; A104-I120 WeakPolarHBondContact O-CA 3.34Å; A104-Y121 PolarHBondContact N-O 2.94Å; A104-Y121 PolarHBondContact O-N 2.86Å; A104-I127 HydrophobicContact CB-CD1 3.78Å; A104-M130 HydrophobicContact CB-CE 3.69Å; A104-M130 HydrophobicContact CB-SD 3.91Å; A104-I141 HydrophobicContact CB-CD1 3.99Å; A104-W151 HydrophobicContact CB-CE3 4.11Å; A104-W151 HydrophobicContact CB-CH2 4.39Å; A104-W151 HydrophobicContact CB-CZ3 3.74Å
105K95.9Very high86.1Confident12 Ų1241.1 Ų41.15%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-128.2141.6-179.5-61.2-171.8176172.80110.9D78 F79 F96 A97 V103 I107 I117 R119 I120D78-K105 PolarHBondContact O-NZ 3.32Å; D78-K105 IonicContact OD1-NZ 3.84Å; D78-K105 PolarHBondContact OD1-NZ 3.44Å; F79-K105 HydrophobicContact CD1-CD 4.49Å; F79-K105 HydrophobicContact CE1-CB 4.48Å; F79-K105 HydrophobicContact CE1-CD 3.79Å; F79-K105 HydrophobicContact CE1-CG 4Å; F79-K105 HydrophobicContact CE2-CD 4.42Å; F79-K105 HydrophobicContact CZ-CB 4.07Å; F79-K105 HydrophobicContact CZ-CD 3.73Å; F79-K105 HydrophobicContact CZ-CG 4.02Å; F96-K105 CarbonylContact C-O 3.56Å; F96-K105 VanDerWaalsContact CA-O 3.23Å; F96-K105 WeakPolarHBondContact CA-O 3.49Å; A97-K105 PolarHBondContact N-O 2.76Å; A97-K105 PolarHBondContact O-N 2.9Å; V103-K105 HydrophobicContact CG2-CD 4.45Å; V103-K105 HydrophobicContact CG2-CG 4.39Å; K105-I107 HydrophobicContact CB-CG1 4.43Å; K105-I117 HydrophobicContact CB-CD1 4.31Å; K105-I117 HydrophobicContact CB-CG2 4.29Å; K105-I117 HydrophobicContact CD-CD1 3.98Å; K105-I117 HydrophobicContact CD-CG1 4.34Å; K105-I117 HydrophobicContact CD-CG2 4.18Å; K105-I117 HydrophobicContact CG-CG2 4.36Å; K105-R119 WeakPolarHBondContact CA-O 3.45Å; K105-I120 HydrophobicContact CG-CG1 4.27Å
106I95.3Very high85.3Confident7 Ų744 Ų444%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-96.7131.1163-55.5-54.7000108.3W94 M95 F96 I117 T118 R119 I139 W151 L153W94-I106 HydrophobicContact CB-CG2 4.34Å; W94-I106 HydrophobicContact CD2-CG2 4.23Å; W94-I106 HydrophobicContact CE3-CD1 4.29Å; W94-I106 HydrophobicContact CE3-CG2 3.87Å; W94-I106 HydrophobicContact CG-CG2 4.46Å; W94-I106 HydrophobicContact CZ3-CD1 3.97Å; M95-I106 CarbonylContact O-C 3.56Å; M95-I106 WeakPolarHBondContact O-CA 3.3Å; F96-I106 HydrophobicContact CB-CD1 3.79Å; I106-I117 WeakPolarHBondContact O-CA 3.17Å; I106-T118 WeakPolarHBondContact CB-OG1 3.47Å; I106-T118 VanDerWaalsContact CG2-OG1 3.28Å; I106-T118 WeakPolarHBondContact CG2-OG1 3.45Å; I106-T118 PolarHBondContact O-N 3.44Å; I106-T118 PolarHBondContact O-OG1 3.21Å; I106-R119 HydrophobicContact CB-CB 4.06Å; I106-R119 HydrophobicContact CG1-CB 3.89Å; I106-R119 HydrophobicContact CG1-CG 4.46Å; I106-R119 PolarHBondContact N-O 2.9Å; I106-I139 HydrophobicContact CD1-CD1 3.59Å; I106-W151 HydrophobicContact CD1-CH2 3.92Å; I106-W151 HydrophobicContact CD1-CZ3 3.76Å; I106-W151 HydrophobicContact CG1-CH2 3.64Å; I106-W151 HydrophobicContact CG1-CZ2 4.38Å; I106-W151 HydrophobicContact CG1-CZ3 4.04Å; I106-L153 HydrophobicContact CD1-CD1 4.19Å; I106-L153 HydrophobicContact CD1-CD2 3.87Å; I106-L153 HydrophobicContact CG1-CD2 3.99Å
107I92.7Very high84.6Confident0 Ų045.7 Ų45.70%025%0.246CC..EExtended strand (participates in β ladder)trans-121.1109.8-171-55.1174.2000108.3V76 F79 W94 M95 A97 K105 W109 W116 I117V76-I107 HydrophobicContact CG1-CD1 4.24Å; V76-I107 HydrophobicContact CG2-CG2 3.93Å; F79-I107 HydrophobicContact CE2-CD1 4.5Å; W94-I107 CarbonylContact C-O 3.58Å; W94-I107 WeakPolarHBondContact CA-O 3.23Å; M95-I107 HydrophobicContact CB-CB 4.2Å; M95-I107 PolarHBondContact N-O 2.91Å; M95-I107 PolarHBondContact O-N 2.97Å; A97-I107 HydrophobicContact CB-CD1 3.93Å; K105-I107 HydrophobicContact CB-CG1 4.43Å; I107-W109 HydrophobicContact CG2-CB 4.14Å; I107-W109 PolarHBondContact O-N 3.42Å; I107-W116 CarbonylContact C-O 3.56Å; I107-W116 WeakPolarHBondContact CA-O 3.34Å; I107-W116 HydrophobicContact CG2-CB 4.07Å; I107-I117 HydrophobicContact CG1-CD1 3.8Å
108D89Confident84.1Confident51 Ų5149.6 Ų49.627%0.27327%0.269SS..  trans-84.291.6160.8-170.8-25.6000108.5R110 A111 W116 T118D108-R110 PolarHBondContact O-N 3.09Å; D108-R110 PolarHBondContact OD1-N 3.46Å; D108-R110 VanDerWaalsContact OD1-N 3.09Å; D108-A111 HydrophobicContact CB-CB 4.17Å; D108-A111 PolarHBondContact OD1-N 2.65Å; D108-W116 PolarHBondContact N-O 2.84Å; D108-W116 WeakPolarHBondContact O-CA 3.39Å; D108-T118 HydrophobicContact CB-CG2 3.87Å
109W77.5Confident83.8Confident8 Ų854.3 Ų54.33%0.0329%0.287CS..SBendtrans-77.8-12.7-17762.5-83.9000112.7Y52 I63 F73 F88 G92 M95 I107Y52-W109 AromaticContact CD1-CH2 3.91Å; Y52-W109 HydrophobicContact CD1-CH2 3.91Å; Y52-W109 AromaticContact CD1-CZ3 4Å; Y52-W109 HydrophobicContact CD1-CZ3 4Å; Y52-W109 AromaticContact CD2-CH2 3.47Å; Y52-W109 HydrophobicContact CD2-CH2 3.47Å; Y52-W109 VanDerWaalsContact CD2-CH2 3.47Å; Y52-W109 HydrophobicContact CD2-CZ2 4.1Å; Y52-W109 HydrophobicContact CD2-CZ3 4.36Å; Y52-W109 AromaticContact CE1-CH2 3.9Å; Y52-W109 HydrophobicContact CE1-CH2 3.9Å; Y52-W109 AromaticContact CE1-CZ3 3.88Å; Y52-W109 HydrophobicContact CE1-CZ3 3.88Å; Y52-W109 AromaticContact CE2-CH2 3.51Å; Y52-W109 HydrophobicContact CE2-CH2 3.51Å; Y52-W109 HydrophobicContact CE2-CZ2 4.41Å; Y52-W109 HydrophobicContact CE2-CZ3 4.31Å; Y52-W109 AromaticContact CG-CH2 3.69Å; Y52-W109 HydrophobicContact CG-CH2 3.69Å; Y52-W109 HydrophobicContact CG-CZ2 4.39Å; Y52-W109 HydrophobicContact CG-CZ3 4.22Å; Y52-W109 AromaticContact CZ-CH2 3.7Å; I63-W109 HydrophobicContact CD1-CB 3.48Å; I63-W109 VanDerWaalsContact CD1-CB 3.48Å; I63-W109 HydrophobicContact CD1-CD2 3.88Å; I63-W109 HydrophobicContact CD1-CE3 4.04Å; I63-W109 HydrophobicContact CD1-CG 3.65Å; F73-W109 HydrophobicContact CE1-CZ3 4.18Å; F88-W109 HydrophobicContact CE1-CZ2 4.2Å; F88-W109 AromaticContact CE1-NE1 3.76Å; G92-W109 VanDerWaalsContact O-CZ2 3.27Å; G92-W109 WeakPolarHBondContact O-CZ2 3.45Å; G92-W109 PolarHBondContact O-NE1 3.13Å; G92-W109 VanDerWaalsContact O-NE1 3.17Å; M95-W109 HydrophobicContact CG-CG 4.48Å; M95-W109 HydrophobicContact SD-CB 4.37Å; M95-W109 HydrophobicContact SD-CG 3.88Å; I107-W109 HydrophobicContact CG2-CB 4.14Å; I107-W109 PolarHBondContact O-N 3.42Å
110R75.8Confident83.7Confident115 Ų11558.3 Ų58.343%0.43431%0.308SS..SBendtrans-87.3-22.6177.4-66.3-175177153.3-1.5112.3G92 N93 D108 G112G92-R110 PolarHBondContact O-NH1 2.89Å; G92-R110 PolarHBondContact O-NH2 3.03Å; G92-R110 VanDerWaalsContact O-NH2 3.15Å; N93-R110 VanDerWaalsContact CA-NH1 3.33Å; D108-R110 PolarHBondContact O-N 3.09Å; D108-R110 PolarHBondContact OD1-N 3.46Å; D108-R110 VanDerWaalsContact OD1-N 3.09Å; R110-G112 PolarHBondContact O-N 3.38Å
111A68.9Low83.6Confident58 Ų5858 Ų5848%0.47931%0.305SS..SBendtrans-59.1-27.717700000113.6D108D108-A111 HydrophobicContact CB-CB 4.17Å; D108-A111 PolarHBondContact OD1-N 2.65Å
112G62.5Low83.5Confident36 Ų3661.6 Ų61.637%0.37132%0.321SS..  trans70.5155.9-17800000113.9R110R110-G112 PolarHBondContact O-N 3.38Å
113G61.4Low83.4Confident46 Ų4656 Ų5647%0.47430%0.3SS..G310 helixtrans67.4-147.4175.300000115.1L115 W116G113-L115 PolarHBondContact O-N 2.81Å; G113-W116 VanDerWaalsContact O-CD2 3.28Å; G113-W116 PolarHBondContact O-NE1 2.84Å; G113-W116 VanDerWaalsContact O-NE1 3.16Å
114N58.8Low83.2Confident171 Ų17157.9 Ų57.991%0.91431%0.314SS*.G310 helixtrans-815-171.5-65-17.3000114.5
115L59.2Low83.1Confident135 Ų13558.3 Ų58.371%0.70732%0.317SS*.G310 helixtrans-102.918.1-173.3-66.9173.5000113.2G113 I117G113-L115 PolarHBondContact O-N 2.81Å; L115-I117 VanDerWaalsContact C-N 3.29Å; L115-I117 PolarHBondContact O-N 2.85Å
116W76.1Confident83.2Confident60 Ų6059.3 Ų59.323%0.22733%0.325CS..  trans-60.2-39.7-178.2-62.2-30.9000112.4V74 M75 V76 I107 D108 G113 T118V74-W116 HydrophobicContact CG1-CH2 4.4Å; V74-W116 HydrophobicContact CG1-CZ2 3.91Å; M75-W116 WeakPolarHBondContact O-CH2 2.84Å; M75-W116 WeakPolarHBondContact O-CZ3 3.21Å; V76-W116 HydrophobicContact CB-CE3 4.01Å; V76-W116 HydrophobicContact CB-CZ3 4.27Å; V76-W116 HydrophobicContact CG1-CE3 3.97Å; V76-W116 HydrophobicContact CG2-CD2 4.06Å; V76-W116 HydrophobicContact CG2-CE3 3.71Å; V76-W116 HydrophobicContact CG2-CZ3 4.18Å; I107-W116 CarbonylContact C-O 3.56Å; I107-W116 WeakPolarHBondContact CA-O 3.34Å; I107-W116 HydrophobicContact CG2-CB 4.07Å; D108-W116 PolarHBondContact N-O 2.84Å; D108-W116 WeakPolarHBondContact O-CA 3.39Å; G113-W116 VanDerWaalsContact O-CD2 3.28Å; G113-W116 PolarHBondContact O-NE1 2.84Å; G113-W116 VanDerWaalsContact O-NE1 3.16Å; W116-T118 PolarHBondContact O-N 2.94Å
117I81.8Confident83.3Confident45 Ų4559 Ų5923%0.23132%0.324CS..EExtended strand (participates in β ladder)trans-88.1111.7-172.2-49.1-53000110.8V76 D78 K105 I106 I107 L115 I120V76-I117 HydrophobicContact CG1-CD1 4.11Å; D78-I117 HydrophobicContact CB-CG1 4.49Å; K105-I117 HydrophobicContact CB-CD1 4.31Å; K105-I117 HydrophobicContact CB-CG2 4.29Å; K105-I117 HydrophobicContact CD-CD1 3.98Å; K105-I117 HydrophobicContact CD-CG1 4.34Å; K105-I117 HydrophobicContact CD-CG2 4.18Å; K105-I117 HydrophobicContact CG-CG2 4.36Å; I106-I117 WeakPolarHBondContact O-CA 3.17Å; I107-I117 HydrophobicContact CG1-CD1 3.8Å; L115-I117 VanDerWaalsContact C-N 3.29Å; L115-I117 PolarHBondContact O-N 2.85Å; I117-I120 HydrophobicContact CG2-CD1 3.88Å; I117-I120 HydrophobicContact CG2-CG1 3.52Å
118T88.3Confident83.6Confident81 Ų8160.2 Ų60.250%0.49733%0.33SS..EExtended strand (participates in β ladder)trans-98.4-27.4-178.5590000113I106 D108 W116I106-T118 WeakPolarHBondContact CB-OG1 3.47Å; I106-T118 VanDerWaalsContact CG2-OG1 3.28Å; I106-T118 WeakPolarHBondContact CG2-OG1 3.45Å; I106-T118 PolarHBondContact O-N 3.44Å; I106-T118 PolarHBondContact O-OG1 3.21Å; D108-T118 HydrophobicContact CB-CG2 3.87Å; W116-T118 PolarHBondContact O-N 2.94Å
119R92.3Very high84Confident99 Ų9958.5 Ų58.537%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-146.5147.9177.2-59.1-178.8-179.2-92.40.5110.7K105 I106 W151 L153K105-R119 WeakPolarHBondContact CA-O 3.45Å; I106-R119 HydrophobicContact CB-CB 4.06Å; I106-R119 HydrophobicContact CG1-CB 3.89Å; I106-R119 HydrophobicContact CG1-CG 4.46Å; I106-R119 PolarHBondContact N-O 2.9Å; R119-W151 HydrophobicContact CB-CH2 4.2Å; R119-W151 HydrophobicContact CB-CZ2 3.93Å; R119-L153 PolarHBondContact NE-O 3.03Å; R119-L153 PolarHBondContact NH1-O 3.4Å; R119-L153 VanDerWaalsContact NH1-O 3.08Å; R119-L153 PolarHBondContact NH2-O 3.05Å
120I94.4Very high85Confident84 Ų8458.6 Ų58.643%0.43132%0.322SS..EExtended strand (participates in β ladder)trans-133.1136174.8-55.5179.4000108.2A104 K105 I117A104-I120 WeakPolarHBondContact O-CA 3.34Å; K105-I120 HydrophobicContact CG-CG1 4.27Å; I117-I120 HydrophobicContact CG2-CD1 3.88Å; I117-I120 HydrophobicContact CG2-CG1 3.52Å
121Y96Very high86Confident52 Ų5255.2 Ų55.220%0.20431%0.313CS..EExtended strand (participates in β ladder)trans-127130.9168.3177.7-106.1000110A104 T123 I141 I149 W151 A158A104-Y121 PolarHBondContact N-O 2.94Å; A104-Y121 PolarHBondContact O-N 2.86Å; Y121-T123 HydrophobicContact CD1-CG2 3.91Å; Y121-T123 HydrophobicContact CE1-CG2 3.63Å; Y121-I141 HydrophobicContact CD1-CD1 3.91Å; Y121-I141 HydrophobicContact CE1-CD1 4.27Å; Y121-I149 HydrophobicContact CE1-CD1 4.44Å; Y121-I149 HydrophobicContact CE1-CG2 4.07Å; Y121-W151 VanDerWaalsContact CB-CE2 3.47Å; Y121-W151 HydrophobicContact CD1-CG 4.46Å; Y121-W151 HydrophobicContact CG-CD2 4.31Å; Y121-W151 HydrophobicContact CG-CG 4.27Å; Y121-A158 HydrophobicContact CD2-CB 4.28Å; Y121-A158 HydrophobicContact CE1-CB 4.07Å; Y121-A158 HydrophobicContact CE2-CB 3.4Å; Y121-A158 VanDerWaalsContact CE2-CB 3.4Å; Y121-A158 WeakPolarHBondContact OH-CB 3.46Å
122Q96.5Very high87.3Confident97 Ų9753.6 Ų53.645%0.45330%0.296SS..EExtended strand (participates in β ladder)trans-101.7120.3-178.8-174.976.241.800109.3D101 R102D101-Q122 PolarHBondContact O-NE2 3.02Å; R102-Q122 PolarHBondContact O-NE2 2.98Å
123T95.2Very high88.8Confident6 Ų652.9 Ų52.94%0.03728%0.283CS..  trans-91.2165.4177.753.90000111.8R102 Y121 S125 I127 I141 T143 I149R102-T123 WeakPolarHBondContact CA-OG1 3.38Å; R102-T123 WeakPolarHBondContact CB-OG1 3.26Å; R102-T123 PolarHBondContact O-N 3.41Å; R102-T123 PolarHBondContact O-OG1 3.47Å; Y121-T123 HydrophobicContact CD1-CG2 3.91Å; Y121-T123 HydrophobicContact CE1-CG2 3.63Å; T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 PolarHBondContact O-N 2.93Å; T123-S125 PolarHBondContact OG1-O 2.95Å; T123-I127 HydrophobicContact CG2-CD1 3.87Å; T123-I127 HydrophobicContact CG2-CG1 3.94Å; T123-I127 WeakPolarHBondContact OG1-CG1 3.4Å; T123-I141 HydrophobicContact CG2-CD1 4.38Å; T123-I141 HydrophobicContact CG2-CG2 4.25Å; T123-T143 HydrophobicContact CG2-CG2 4.49Å; T123-I149 HydrophobicContact CG2-CD1 4.01Å
124S92.2Very high90.1Very high52 Ų5255.9 Ų55.936%0.36428%0.28SS..SBendtrans-75.8-16.2-178.696.40000113.7K145 E147S124-K145 PolarHBondContact O-NZ 3.37Å; S124-K145 VanDerWaalsContact O-NZ 3.13Å; S124-K145 WeakPolarHBondContact OG-CD 3.49Å; S124-K145 PolarHBondContact OG-NZ 3.08Å; S124-E147 PolarHBondContact OG-OE1 3.34Å; S124-E147 PolarHBondContact OG-OE2 2.75Å
125S95.4Very high91.6Very high10 Ų1050.2 Ų50.27%0.0725%0.25CC..SBendtrans-156174.9-177.967.30000111.3R102 T123 T143 K145R102-S125 WeakPolarHBondContact CB-O 3.43Å; R102-S125 VanDerWaalsContact CG-C 3.48Å; R102-S125 WeakPolarHBondContact CG-O 3.41Å; T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 PolarHBondContact O-N 2.93Å; T123-S125 PolarHBondContact OG1-O 2.95Å; S125-T143 VanDerWaalsContact OG-CB 3.24Å; S125-T143 WeakPolarHBondContact OG-CB 3.15Å; S125-T143 PolarHBondContact OG-OG1 3.42Å; S125-T143 VanDerWaalsContact OG-OG1 3.09Å; S125-K145 WeakPolarHBondContact OG-CB 3.21Å; S125-K145 PolarHBondContact OG-N 3.3Å; S125-K145 VanDerWaalsContact OG-N 3.17Å
126S97.5Very high93.2Very high32 Ų3246.1 Ų46.122%0.22423%0.227CC..  trans-59.1139.2-174.6-63.80000112.1E100 T143 S144E100-S126 PolarHBondContact O-OG 2.84Å; S126-T143 CarbonylContact O-C 3.53Å; S126-T143 WeakPolarHBondContact O-CA 3.37Å; S126-S144 PolarHBondContact O-N 3.37Å
127I98.3Very high94Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-86125.8178.1-59.7177.3000108.7N84 T85 A99 V103 A104 T123 M130 I141N84-I127 PolarHBondContact ND2-O 3.24Å; T85-I127 HydrophobicContact CG2-CG2 4.16Å; A99-I127 PolarHBondContact O-N 3.13Å; V103-I127 VanDerWaalsContact C-CD1 3.45Å; V103-I127 WeakPolarHBondContact O-CD1 3.47Å; A104-I127 HydrophobicContact CB-CD1 3.78Å; T123-I127 HydrophobicContact CG2-CD1 3.87Å; T123-I127 HydrophobicContact CG2-CG1 3.94Å; T123-I127 WeakPolarHBondContact OG1-CG1 3.4Å; I127-M130 HydrophobicContact CG2-CG 3.86Å; I127-M130 HydrophobicContact CG2-SD 4.16Å; I127-I141 HydrophobicContact CB-CG2 4.35Å; I127-I141 HydrophobicContact CD1-CG2 4.09Å; I127-I141 HydrophobicContact CG1-CG2 3.95Å; I127-I141 HydrophobicContact CG2-CG2 3.66Å
128N98Very high94.5Very high27 Ų2743.8 Ų43.814%0.14422%0.217CC..EExtended strand (participates in β ladder)trans-101.8-37.2179.8-64.5-14.6000111.3G142 S144 I170N128-G142 PolarHBondContact N-O 3.35Å; N128-S144 PolarHBondContact ND2-OG 2.9Å; N128-S144 PolarHBondContact OD1-OG 3.37Å; N128-I170 WeakPolarHBondContact CB-O 3.5Å; N128-I170 PolarHBondContact ND2-O 2.9Å
129T98.3Very high94.9Very high15 Ų1539.9 Ų39.99%0.09219%0.194CC..EExtended strand (participates in β ladder)trans-147.4147.9-177-176.70000110.6I141 G142 I170 H171 L173T129-I141 WeakPolarHBondContact O-CA 3.47Å; T129-G142 PolarHBondContact N-O 3.35Å; T129-G142 PolarHBondContact O-N 2.74Å; T129-I170 HydrophobicContact CG2-CG2 4.34Å; T129-H171 WeakPolarHBondContact CB-O 3.42Å; T129-L173 HydrophobicContact CG2-CB 4.3Å; T129-L173 HydrophobicContact CG2-CD1 3.97Å; T129-L173 HydrophobicContact CG2-CG 3.7Å
130M98.3Very high95.1Very high9 Ų935.2 Ų35.24%0.04418%0.176CC..EExtended strand (participates in β ladder)trans-133.2145.5169.1-72.2170.167.700109.4T85 F96 G98 A104 I127 I139 L140 I141 W151T85-M130 HydrophobicContact CG2-CB 3.57Å; T85-M130 HydrophobicContact CG2-CG 3.53Å; T85-M130 HydrophobicContact CG2-SD 3.73Å; T85-M130 PolarHBondContact OG1-N 3.46Å; T85-M130 PolarHBondContact OG1-O 2.77Å; F96-M130 HydrophobicContact CB-CE 4.01Å; F96-M130 HydrophobicContact CD2-CB 3.8Å; F96-M130 HydrophobicContact CD2-CE 3.73Å; F96-M130 HydrophobicContact CD2-SD 4.32Å; F96-M130 HydrophobicContact CE2-CB 3.65Å; F96-M130 HydrophobicContact CG-CE 4.24Å; G98-M130 WeakPolarHBondContact CA-SD 3.44Å; G98-M130 PolarHBondContact N-SD 3Å; G98-M130 VanDerWaalsContact N-SD 3.44Å; A104-M130 HydrophobicContact CB-CE 3.69Å; A104-M130 HydrophobicContact CB-SD 3.91Å; I127-M130 HydrophobicContact CG2-CG 3.86Å; I127-M130 HydrophobicContact CG2-SD 4.16Å; M130-I139 HydrophobicContact CB-CG2 4.03Å; M130-I139 HydrophobicContact CE-CD1 4.21Å; M130-I139 HydrophobicContact CE-CG2 3.62Å; M130-I139 HydrophobicContact CG-CG2 4.34Å; M130-L140 CarbonylContact C-O 3.54Å; M130-L140 WeakPolarHBondContact CA-O 3.48Å; M130-I141 HydrophobicContact CG-CB 4.43Å; M130-I141 HydrophobicContact CG-CG1 4.12Å; M130-I141 HydrophobicContact CG-CG2 4.1Å; M130-W151 HydrophobicContact CE-CE3 4.44Å; M130-W151 HydrophobicContact CE-CZ3 4.27Å
131L96.7Very high95.2Very high45 Ų4531.2 Ų31.224%0.23616%0.155CC..EExtended strand (participates in β ladder)trans-138.3121.4179.3175.465.5000109.3H133 I139 L140 L173 I175L131-H133 PolarHBondContact O-N 2.84Å; L131-I139 WeakPolarHBondContact O-CA 3.48Å; L131-L140 HydrophobicContact CB-CB 4.37Å; L131-L140 HydrophobicContact CD2-CD1 4.27Å; L131-L140 PolarHBondContact N-O 2.89Å; L131-L140 PolarHBondContact O-N 2.81Å; L131-L173 HydrophobicContact CB-CB 4.36Å; L131-L173 HydrophobicContact CD2-CB 4.28Å; L131-I175 HydrophobicContact CD2-CB 4.2Å; L131-I175 HydrophobicContact CD2-CD1 3.78Å; L131-I175 HydrophobicContact CD2-CG1 3.64Å; L131-I175 HydrophobicContact CG-CD1 4.44Å
132L95.9Very high95.3Very high24 Ų2428.7 Ų28.713%0.12615%0.146CC..EExtended strand (participates in β ladder)trans-73.6125.1173.2-18057.7000109.9N89 W94 F96 E138 I139N89-L132 HydrophobicContact CB-CD2 4.01Å; W94-L132 HydrophobicContact CH2-CD1 3.65Å; W94-L132 HydrophobicContact CH2-CD2 3.68Å; W94-L132 HydrophobicContact CH2-CG 4.32Å; W94-L132 HydrophobicContact CZ2-CD1 4.38Å; W94-L132 HydrophobicContact CZ2-CD2 4.2Å; W94-L132 HydrophobicContact CZ3-CD2 4.39Å; F96-L132 HydrophobicContact CD1-CB 4.39Å; F96-L132 HydrophobicContact CE1-CB 3.59Å; F96-L132 HydrophobicContact CE1-CD2 4.27Å; F96-L132 HydrophobicContact CZ-CB 4Å; L132-E138 WeakPolarHBondContact CD1-O 3.23Å; L132-I139 HydrophobicContact CD1-CG1 3.81Å
133H93.6Very high95.3Very high21 Ų2124.1 Ų24.110%0.09712%0.124CC..  trans-71.2152.6174-173.3-99.3000110.9L131 N135 Q136 E138 V179 W202L131-H133 PolarHBondContact O-N 2.84Å; H133-N135 PolarHBondContact CE1-ND2 2.91Å; H133-N135 PolarHBondContact ND1-N 3.12Å; H133-N135 PolarHBondContact ND1-ND2 3.31Å; H133-N135 PolarHBondContact ND1-OD1 2.99Å; H133-N135 PolarHBondContact O-N 2.94Å; H133-N135 VanDerWaalsContact O-N 3.09Å; H133-Q136 PolarHBondContact O-N 3.47Å; H133-E138 HydrophobicContact CB-CB 3.92Å; H133-E138 WeakPolarHBondContact CB-O 3.48Å; H133-E138 PolarHBondContact N-O 3.16Å; H133-E138 IonicContact ND1-OE2 3.56Å; H133-V179 WeakPolarHBondContact NE2-CG1 3Å; H133-W202 AromaticContact CD2-CH2 3.72Å; H133-W202 AromaticContact CD2-CZ2 3.58Å; H133-W202 AromaticContact NE2-CZ2 3.8Å
134R89.4Confident95.3Very high108 Ų10825.9 Ų25.941%0.40814%0.137SC..THydrogen-bonded Turntrans-61.2-23.9-175-65-156.1-175.8-113.9-22.3114.7Q136 Q177 V179R134-Q136 PolarHBondContact O-N 3.23Å; R134-Q136 PolarHBondContact O-NE2 3.33Å; R134-Q177 PolarHBondContact NE-O 3.3Å; R134-V179 HydrophobicContact CB-CG2 4.11Å; R134-V179 HydrophobicContact CG-CG2 3.72Å
135N90.3Very high95.4Very high52 Ų5228.2 Ų28.228%0.27814%0.14SC..THydrogen-bonded Turntrans-70-4.5174.267.413.9000113.8H133 H137 E138H133-N135 PolarHBondContact CE1-ND2 2.91Å; H133-N135 PolarHBondContact ND1-N 3.12Å; H133-N135 PolarHBondContact ND1-ND2 3.31Å; H133-N135 PolarHBondContact ND1-OD1 2.99Å; H133-N135 PolarHBondContact O-N 2.94Å; H133-N135 VanDerWaalsContact O-N 3.09Å; N135-H137 WeakPolarHBondContact CB-NE2 3.47Å; N135-H137 PolarHBondContact ND2-CE1 2.94Å; N135-H137 PolarHBondContact ND2-NE2 3.39Å; N135-H137 PolarHBondContact O-CD2 3.41Å; N135-H137 PolarHBondContact O-N 3.01Å; N135-H137 VanDerWaalsContact O-N 3.12Å; N135-H137 PolarHBondContact OD1-N 3.44Å; N135-E138 VanDerWaalsContact ND2-CD 3.3Å; N135-E138 PolarHBondContact ND2-OE2 3.47Å; N135-E138 PolarHBondContact OD1-N 3.47Å; N135-E138 VanDerWaalsContact OD1-N 3.14Å
136Q92.9Very high95.3Very high49 Ų4928.1 Ų28.123%0.22914%0.141CC..SBendtrans63.312.4176.5-52.2-61.6-57.800115.1D90 H133 R134D90-Q136 HydrophobicContact CB-CG 4.32Å; D90-Q136 VanDerWaalsContact CB-OE1 3.32Å; D90-Q136 PolarHBondContact OD1-NE2 2.84Å; D90-Q136 PolarHBondContact OD1-OE1 3.27Å; H133-Q136 PolarHBondContact O-N 3.47Å; R134-Q136 PolarHBondContact O-N 3.23Å; R134-Q136 PolarHBondContact O-NE2 3.33Å
137H91.8Very high95.1Very high43 Ų4328.4 Ų28.420%0.19914%0.139CC..SBendtrans-133.71.3-177.968.662.9000113.6N135 L153 R154N135-H137 WeakPolarHBondContact CB-NE2 3.47Å; N135-H137 PolarHBondContact ND2-CE1 2.94Å; N135-H137 PolarHBondContact ND2-NE2 3.39Å; N135-H137 PolarHBondContact O-CD2 3.41Å; N135-H137 PolarHBondContact O-N 3.01Å; N135-H137 VanDerWaalsContact O-N 3.12Å; N135-H137 PolarHBondContact OD1-N 3.44Å; H137-L153 WeakPolarHBondContact O-CB 3.4Å; H137-L153 WeakPolarHBondContact O-CG 3Å; H137-L153 PolarHBondContact O-N 2.89Å; H137-R154 HydrophobicContact CB-CG 3.91Å; H137-R154 PolarHBondContact CE1-NH1 2.88Å; H137-R154 VanDerWaalsContact CE1-NH1 3.28Å; H137-R154 PolarHBondContact CE1-NH2 2.91Å; H137-R154 PolarHBondContact ND1-NE 2.91Å; H137-R154 PolarHBondContact NE2-NH1 3Å
138E93.8Very high94.9Very high13 Ų1328.4 Ų28.46%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-125.2137173.1-78.9157.9-175.500109.8L132 H133 N135 V150 W151 D152 R154 W202L132-E138 WeakPolarHBondContact CD1-O 3.23Å; H133-E138 HydrophobicContact CB-CB 3.92Å; H133-E138 WeakPolarHBondContact CB-O 3.48Å; H133-E138 PolarHBondContact N-O 3.16Å; H133-E138 IonicContact ND1-OE2 3.56Å; N135-E138 VanDerWaalsContact ND2-CD 3.3Å; N135-E138 PolarHBondContact ND2-OE2 3.47Å; N135-E138 PolarHBondContact OD1-N 3.47Å; N135-E138 VanDerWaalsContact OD1-N 3.14Å; E138-V150 HydrophobicContact CB-CG1 4.2Å; E138-V150 HydrophobicContact CG-CG1 4.04Å; E138-W151 CarbonylContact C-O 3.58Å; E138-W151 WeakPolarHBondContact CA-O 3.42Å; E138-D152 HydrophobicContact CG-CB 4.29Å; E138-R154 IonicContact OE1-NH2 3.8Å; E138-W202 PolarHBondContact OE1-NE1 2.83Å; E138-W202 PolarHBondContact OE2-NE1 3.49Å
139I96.3Very high94.7Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-119.9126.5173.9-62.4179.6000108.7W94 F96 I106 M130 L131 L132 I141 W151 L153W94-I139 HydrophobicContact CZ3-CD1 4.35Å; F96-I139 HydrophobicContact CB-CD1 3.73Å; F96-I139 HydrophobicContact CD1-CD1 4.15Å; F96-I139 HydrophobicContact CD2-CD1 4.49Å; F96-I139 HydrophobicContact CG-CD1 3.88Å; I106-I139 HydrophobicContact CD1-CD1 3.59Å; M130-I139 HydrophobicContact CB-CG2 4.03Å; M130-I139 HydrophobicContact CE-CD1 4.21Å; M130-I139 HydrophobicContact CE-CG2 3.62Å; M130-I139 HydrophobicContact CG-CG2 4.34Å; L131-I139 WeakPolarHBondContact O-CA 3.48Å; L132-I139 HydrophobicContact CD1-CG1 3.81Å; I139-I141 HydrophobicContact CG2-CG1 4.24Å; I139-W151 HydrophobicContact CB-CE3 4.29Å; I139-W151 HydrophobicContact CD1-CE3 4.17Å; I139-W151 HydrophobicContact CD1-CZ3 4.26Å; I139-W151 PolarHBondContact N-O 3.5Å; I139-W151 PolarHBondContact O-N 2.53Å; I139-L153 HydrophobicContact CD1-CD1 4.06Å; I139-L153 HydrophobicContact CD1-CD2 4.09Å; I139-L153 HydrophobicContact CD1-CG 4.49Å; I139-L153 HydrophobicContact CG1-CD1 4.21Å; I139-L153 HydrophobicContact CG1-CD2 4.4Å; I139-L153 HydrophobicContact CG1-CG 4.47Å
140L95.9Very high94.5Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-84.6136.8170.9-66.5155000109.5M130 L131 V148 I149 V150 I161 L173 I175 L182 W202M130-L140 CarbonylContact C-O 3.54Å; M130-L140 WeakPolarHBondContact CA-O 3.48Å; L131-L140 HydrophobicContact CB-CB 4.37Å; L131-L140 HydrophobicContact CD2-CD1 4.27Å; L131-L140 PolarHBondContact N-O 2.89Å; L131-L140 PolarHBondContact O-N 2.81Å; L140-V148 HydrophobicContact CD2-CG1 4.37Å; L140-I149 CarbonylContact C-O 3.53Å; L140-I149 VanDerWaalsContact CA-O 3.27Å; L140-I149 WeakPolarHBondContact CA-O 3.35Å; L140-V150 HydrophobicContact CD2-CG2 3.63Å; L140-I161 HydrophobicContact CD2-CD1 3.74Å; L140-L173 HydrophobicContact CB-CD1 3.91Å; L140-I175 HydrophobicContact CD1-CD1 3.28Å; L140-I175 HydrophobicContact CD1-CG1 3.97Å; L140-L182 HydrophobicContact CD1-CD1 3.93Å; L140-L182 HydrophobicContact CD1-CD2 4.18Å; L140-L182 HydrophobicContact CD2-CD2 3.97Å; L140-W202 HydrophobicContact CD1-CH2 4.16Å; L140-W202 HydrophobicContact CD2-CH2 4.08Å; L140-W202 HydrophobicContact CD2-CZ3 3.95Å; L140-W202 HydrophobicContact CG-CH2 4.45Å
141I97.5Very high94.4Very high0 Ų026.5 Ų26.50%013%0.128CC..EExtended strand (participates in β ladder)trans-128.1122.8-176.3-47.6-177.2000108.7A104 Y121 T123 I127 T129 M130 I139 T143 V148 I149 W151A104-I141 HydrophobicContact CB-CD1 3.99Å; Y121-I141 HydrophobicContact CD1-CD1 3.91Å; Y121-I141 HydrophobicContact CE1-CD1 4.27Å; T123-I141 HydrophobicContact CG2-CD1 4.38Å; T123-I141 HydrophobicContact CG2-CG2 4.25Å; I127-I141 HydrophobicContact CB-CG2 4.35Å; I127-I141 HydrophobicContact CD1-CG2 4.09Å; I127-I141 HydrophobicContact CG1-CG2 3.95Å; I127-I141 HydrophobicContact CG2-CG2 3.66Å; T129-I141 WeakPolarHBondContact O-CA 3.47Å; M130-I141 HydrophobicContact CG-CB 4.43Å; M130-I141 HydrophobicContact CG-CG1 4.12Å; M130-I141 HydrophobicContact CG-CG2 4.1Å; I139-I141 HydrophobicContact CG2-CG1 4.24Å; I141-T143 HydrophobicContact CG2-CG2 4.35Å; I141-V148 CarbonylContact O-C 3.39Å; I141-V148 WeakPolarHBondContact O-CA 3.49Å; I141-I149 HydrophobicContact CB-CB 4.27Å; I141-I149 PolarHBondContact N-O 3.48Å; I141-I149 PolarHBondContact O-N 2.94Å; I141-W151 HydrophobicContact CD1-CB 4.1Å; I141-W151 HydrophobicContact CD1-CE3 4.31Å
142G97Very high94.2Very high0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-99.2130.3171.500000110.8N128 T129 E147N128-G142 PolarHBondContact N-O 3.35Å; T129-G142 PolarHBondContact N-O 3.35Å; T129-G142 PolarHBondContact O-N 2.74Å; G142-E147 WeakPolarHBondContact CA-O 3.36Å
143T96.9Very high94.1Very high0 Ų024.9 Ų24.90%012%0.12CC..EExtended strand (participates in β ladder)trans-115.3164.1-173.582.30000113.8T123 S125 S126 I141 K145 G146 E147 I149 I170T123-T143 HydrophobicContact CG2-CG2 4.49Å; S125-T143 VanDerWaalsContact OG-CB 3.24Å; S125-T143 WeakPolarHBondContact OG-CB 3.15Å; S125-T143 PolarHBondContact OG-OG1 3.42Å; S125-T143 VanDerWaalsContact OG-OG1 3.09Å; S126-T143 CarbonylContact O-C 3.53Å; S126-T143 WeakPolarHBondContact O-CA 3.37Å; I141-T143 HydrophobicContact CG2-CG2 4.35Å; T143-K145 PolarHBondContact O-N 3.31Å; T143-K145 PolarHBondContact OG1-N 3.41Å; T143-G146 PolarHBondContact O-N 3.13Å; T143-G146 VanDerWaalsContact O-N 3.1Å; T143-E147 HydrophobicContact CG2-CB 4.19Å; T143-E147 PolarHBondContact N-O 3.28Å; T143-E147 WeakPolarHBondContact OG1-CB 3.31Å; T143-E147 PolarHBondContact OG1-N 3.25Å; T143-E147 PolarHBondContact OG1-OE2 3.02Å; T143-I149 HydrophobicContact CG2-CD1 4Å; T143-I170 PolarHBondContact O-N 3.44Å
144S95.6Very high94Very high43 Ų4331 Ų3130%0.30114%0.142SC..THydrogen-bonded Turntrans-68.1-8.8175.2-730000114.7S126 N128 P169S126-S144 PolarHBondContact O-N 3.37Å; N128-S144 PolarHBondContact ND2-OG 2.9Å; N128-S144 PolarHBondContact OD1-OG 3.37Å; S144-P169 WeakPolarHBondContact O-CG 3.47Å
145K93.6Very high94.1Very high101 Ų10130.6 Ų30.644%0.43915%0.148SC..THydrogen-bonded Turntrans-95.76.8171.1-82.4179.9-176.7169.50113.5S124 S125 T143 E147 N167S124-K145 PolarHBondContact O-NZ 3.37Å; S124-K145 VanDerWaalsContact O-NZ 3.13Å; S124-K145 WeakPolarHBondContact OG-CD 3.49Å; S124-K145 PolarHBondContact OG-NZ 3.08Å; S125-K145 WeakPolarHBondContact OG-CB 3.21Å; S125-K145 PolarHBondContact OG-N 3.3Å; S125-K145 VanDerWaalsContact OG-N 3.17Å; T143-K145 PolarHBondContact O-N 3.31Å; T143-K145 PolarHBondContact OG1-N 3.41Å; K145-E147 VanDerWaalsContact C-N 3.3Å; K145-E147 HydrophobicContact CB-CG 4.25Å; K145-N167 WeakPolarHBondContact O-CA 3.5Å
146G93.4Very high94.1Very high8 Ų831.2 Ų31.28%0.08215%0.152CC..SBendtrans81.49.1-177.100000114.4T143 E168T143-G146 PolarHBondContact O-N 3.13Å; T143-G146 VanDerWaalsContact O-N 3.1Å; G146-E168 WeakPolarHBondContact CA-O 3.15Å; G146-E168 PolarHBondContact N-O 2.86Å
147E93.4Very high94Very high38 Ų3831 Ų3118%0.17816%0.158CC..  trans-80.3140.6178.9-54.6168.7119.900110.2S124 G142 T143 K145 I149S124-E147 PolarHBondContact OG-OE1 3.34Å; S124-E147 PolarHBondContact OG-OE2 2.75Å; G142-E147 WeakPolarHBondContact CA-O 3.36Å; T143-E147 HydrophobicContact CG2-CB 4.19Å; T143-E147 PolarHBondContact N-O 3.28Å; T143-E147 WeakPolarHBondContact OG1-CB 3.31Å; T143-E147 PolarHBondContact OG1-N 3.25Å; T143-E147 PolarHBondContact OG1-OE2 3.02Å; K145-E147 VanDerWaalsContact C-N 3.3Å; K145-E147 HydrophobicContact CB-CG 4.25Å; E147-I149 HydrophobicContact CB-CD1 4.44Å; E147-I149 HydrophobicContact CB-CG1 4.21Å
148V94.3Very high94Very high0 Ų030.4 Ų30.40%016%0.16CC..EExtended strand (participates in β ladder)trans-113.9111.6164.7-177.30000107.9L140 I141 I161 C162 I170 L173 L182 W194L140-V148 HydrophobicContact CD2-CG1 4.37Å; I141-V148 CarbonylContact O-C 3.39Å; I141-V148 WeakPolarHBondContact O-CA 3.49Å; V148-I161 HydrophobicContact CB-CB 4.4Å; V148-I161 HydrophobicContact CG1-CD1 4.16Å; V148-I161 PolarHBondContact O-N 2.84Å; V148-C162 HydrophobicContact CB-CB 4.26Å; V148-C162 HydrophobicContact CG2-CB 4.29Å; V148-I170 HydrophobicContact CG2-CG1 4.06Å; V148-L173 HydrophobicContact CG1-CD1 4.27Å; V148-L173 HydrophobicContact CG1-CD2 4.21Å; V148-L173 HydrophobicContact CG2-CD2 4.17Å; V148-L182 HydrophobicContact CG1-CD2 4.39Å; V148-W194 HydrophobicContact CG2-CH2 4.29Å
149I94.3Very high93.8Very high7 Ų734.4 Ų34.44%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-108.3134-174.1-59.1167.2000109.4Y121 T123 L140 I141 T143 E147 A158 N159Y121-I149 HydrophobicContact CE1-CD1 4.44Å; Y121-I149 HydrophobicContact CE1-CG2 4.07Å; T123-I149 HydrophobicContact CG2-CD1 4.01Å; L140-I149 CarbonylContact C-O 3.53Å; L140-I149 VanDerWaalsContact CA-O 3.27Å; L140-I149 WeakPolarHBondContact CA-O 3.35Å; I141-I149 HydrophobicContact CB-CB 4.27Å; I141-I149 PolarHBondContact N-O 3.48Å; I141-I149 PolarHBondContact O-N 2.94Å; T143-I149 HydrophobicContact CG2-CD1 4Å; E147-I149 HydrophobicContact CB-CD1 4.44Å; E147-I149 HydrophobicContact CB-CG1 4.21Å; I149-A158 HydrophobicContact CG2-CB 3.79Å; I149-N159 CarbonylContact C-O 3.57Å; I149-N159 WeakPolarHBondContact CA-O 3.39Å
150V94.3Very high93.4Very high4 Ų437.2 Ų37.22%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-95.5115.4167-1770000107.9E138 L140 A158 N159 I161 W202E138-V150 HydrophobicContact CB-CG1 4.2Å; E138-V150 HydrophobicContact CG-CG1 4.04Å; L140-V150 HydrophobicContact CD2-CG2 3.63Å; V150-A158 CarbonylContact O-C 3.59Å; V150-A158 WeakPolarHBondContact O-CA 3.36Å; V150-N159 PolarHBondContact N-O 2.99Å; V150-N159 PolarHBondContact O-N 2.95Å; V150-I161 HydrophobicContact CG2-CD1 3.34Å; V150-I161 HydrophobicContact CG2-CG1 3.73Å; V150-W202 HydrophobicContact CB-CG 4.41Å; V150-W202 HydrophobicContact CG1-CD2 4.18Å; V150-W202 HydrophobicContact CG1-CG 4.08Å; V150-W202 HydrophobicContact CG2-CB 4.16Å; V150-W202 HydrophobicContact CG2-CD2 3.63Å; V150-W202 HydrophobicContact CG2-CE3 3.78Å; V150-W202 HydrophobicContact CG2-CG 3.82Å; V150-W202 HydrophobicContact CG2-CZ3 4.37Å
151W95.4Very high92.7Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-101.2111.2174.3177.631.1000110.1A104 I106 R119 Y121 M130 E138 I139 I141 L153 N156A104-W151 HydrophobicContact CB-CE3 4.11Å; A104-W151 HydrophobicContact CB-CH2 4.39Å; A104-W151 HydrophobicContact CB-CZ3 3.74Å; I106-W151 HydrophobicContact CD1-CH2 3.92Å; I106-W151 HydrophobicContact CD1-CZ3 3.76Å; I106-W151 HydrophobicContact CG1-CH2 3.64Å; I106-W151 HydrophobicContact CG1-CZ2 4.38Å; I106-W151 HydrophobicContact CG1-CZ3 4.04Å; R119-W151 HydrophobicContact CB-CH2 4.2Å; R119-W151 HydrophobicContact CB-CZ2 3.93Å; Y121-W151 VanDerWaalsContact CB-CE2 3.47Å; Y121-W151 HydrophobicContact CD1-CG 4.46Å; Y121-W151 HydrophobicContact CG-CD2 4.31Å; Y121-W151 HydrophobicContact CG-CG 4.27Å; M130-W151 HydrophobicContact CE-CE3 4.44Å; M130-W151 HydrophobicContact CE-CZ3 4.27Å; E138-W151 CarbonylContact C-O 3.58Å; E138-W151 WeakPolarHBondContact CA-O 3.42Å; I139-W151 HydrophobicContact CB-CE3 4.29Å; I139-W151 HydrophobicContact CD1-CE3 4.17Å; I139-W151 HydrophobicContact CD1-CZ3 4.26Å; I139-W151 PolarHBondContact N-O 3.5Å; I139-W151 PolarHBondContact O-N 2.53Å; I141-W151 HydrophobicContact CD1-CB 4.1Å; I141-W151 HydrophobicContact CD1-CE3 4.31Å; W151-L153 HydrophobicContact CD2-CD2 3.7Å; W151-L153 HydrophobicContact CE3-CD2 3.81Å; W151-L153 HydrophobicContact CG-CD2 4.35Å; W151-L153 HydrophobicContact CH2-CD2 4.09Å; W151-L153 HydrophobicContact CZ2-CD2 3.94Å; W151-L153 HydrophobicContact CZ3-CD2 3.99Å; W151-N156 WeakPolarHBondContact CZ2-OD1 3.25Å; W151-N156 PolarHBondContact NE1-OD1 3.15Å
152D93.4Very high91.5Very high19 Ų1939 Ų3910%0.10221%0.211CC..EExtended strand (participates in β ladder)trans-85.7114.9176.5-176.2-17000109.9E138 R154 N155 N156 A157E138-D152 HydrophobicContact CG-CB 4.29Å; D152-R154 VanDerWaalsContact C-N 3.25Å; D152-R154 PolarHBondContact O-N 3.41Å; D152-R154 VanDerWaalsContact OD1-CB 3.25Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 WeakPolarHBondContact OD1-CG 3.41Å; D152-R154 IonicContact OD1-CZ 2.74Å; D152-R154 PolarHBondContact OD1-N 2.96Å; D152-R154 IonicContact OD1-NE 3.86Å; D152-R154 PolarHBondContact OD1-NE 2.87Å; D152-R154 IonicContact OD1-NH2 3.31Å; D152-R154 IonicContact OD2-CZ 3.16Å; D152-R154 IonicContact OD2-NE 2.99Å; D152-R154 PolarHBondContact OD2-NE 3.17Å; D152-R154 IonicContact OD2-NH2 2.75Å; D152-R154 PolarHBondContact OD2-NH2 2.86Å; D152-N155 WeakPolarHBondContact CB-OD1 3.38Å; D152-N155 PolarHBondContact O-OD1 3.23Å; D152-N156 WeakPolarHBondContact O-CA 3Å; D152-N156 PolarHBondContact O-N 3.36Å; D152-A157 PolarHBondContact N-O 3.1Å
153L93Very high89.8Confident16 Ų1643.9 Ų43.98%0.08424%0.242CC..THydrogen-bonded Turntrans-71.5-17.5-177.4-56-177.3000112.9W94 I106 R119 H137 I139 W151W94-L153 HydrophobicContact CH2-CD1 3.72Å; W94-L153 HydrophobicContact CZ2-CD1 4.12Å; W94-L153 HydrophobicContact CZ3-CD1 4.3Å; I106-L153 HydrophobicContact CD1-CD1 4.19Å; I106-L153 HydrophobicContact CD1-CD2 3.87Å; I106-L153 HydrophobicContact CG1-CD2 3.99Å; R119-L153 PolarHBondContact NE-O 3.03Å; R119-L153 PolarHBondContact NH1-O 3.4Å; R119-L153 VanDerWaalsContact NH1-O 3.08Å; R119-L153 PolarHBondContact NH2-O 3.05Å; H137-L153 WeakPolarHBondContact O-CB 3.4Å; H137-L153 WeakPolarHBondContact O-CG 3Å; H137-L153 PolarHBondContact O-N 2.89Å; I139-L153 HydrophobicContact CD1-CD1 4.06Å; I139-L153 HydrophobicContact CD1-CD2 4.09Å; I139-L153 HydrophobicContact CD1-CG 4.49Å; I139-L153 HydrophobicContact CG1-CD1 4.21Å; I139-L153 HydrophobicContact CG1-CD2 4.4Å; I139-L153 HydrophobicContact CG1-CG 4.47Å; W151-L153 HydrophobicContact CD2-CD2 3.7Å; W151-L153 HydrophobicContact CE3-CD2 3.81Å; W151-L153 HydrophobicContact CG-CD2 4.35Å; W151-L153 HydrophobicContact CH2-CD2 4.09Å; W151-L153 HydrophobicContact CZ2-CD2 3.94Å; W151-L153 HydrophobicContact CZ3-CD2 3.99Å
154R91.9Very high87.8Confident149 Ų14946.6 Ų46.656%0.56226%0.256SS*.THydrogen-bonded Turntrans-74.5-43.1-177.3-58.8170.4-65-172.60.1111.4H137 E138 D152H137-R154 HydrophobicContact CB-CG 3.91Å; H137-R154 PolarHBondContact CE1-NH1 2.88Å; H137-R154 VanDerWaalsContact CE1-NH1 3.28Å; H137-R154 PolarHBondContact CE1-NH2 2.91Å; H137-R154 PolarHBondContact ND1-NE 2.91Å; H137-R154 PolarHBondContact NE2-NH1 3Å; E138-R154 IonicContact OE1-NH2 3.8Å; D152-R154 VanDerWaalsContact C-N 3.25Å; D152-R154 PolarHBondContact O-N 3.41Å; D152-R154 VanDerWaalsContact OD1-CB 3.25Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 WeakPolarHBondContact OD1-CG 3.41Å; D152-R154 IonicContact OD1-CZ 2.74Å; D152-R154 PolarHBondContact OD1-N 2.96Å; D152-R154 IonicContact OD1-NE 3.86Å; D152-R154 PolarHBondContact OD1-NE 2.87Å; D152-R154 IonicContact OD1-NH2 3.31Å; D152-R154 IonicContact OD2-CZ 3.16Å; D152-R154 IonicContact OD2-NE 2.99Å; D152-R154 PolarHBondContact OD2-NE 3.17Å; D152-R154 IonicContact OD2-NH2 2.75Å; D152-R154 PolarHBondContact OD2-NH2 2.86Å
155N91.4Very high86Confident100 Ų10047.9 Ų47.954%0.53528%0.276SS..THydrogen-bonded Turntrans-114.1-2.7-177.159.719.1000113.3D152 A157D152-N155 WeakPolarHBondContact CB-OD1 3.38Å; D152-N155 PolarHBondContact O-OD1 3.23Å; N155-A157 PolarHBondContact O-N 3.24Å; N155-A157 WeakPolarHBondContact OD1-CB 3.12Å; N155-A157 PolarHBondContact OD1-N 3.02Å
156N90.5Very high84.8Confident66 Ų6648.6 Ų48.635%0.35328%0.281SS..THydrogen-bonded Turntrans59.621.9-174.8-15549.3000114.1W151 D152W151-N156 WeakPolarHBondContact CZ2-OD1 3.25Å; W151-N156 PolarHBondContact NE1-OD1 3.15Å; D152-N156 WeakPolarHBondContact O-CA 3Å; D152-N156 PolarHBondContact O-N 3.36Å
157A91.6Very high84.2Confident43 Ų4353.2 Ų53.236%0.35530%0.304SS..EExtended strand (participates in β ladder)trans-84.4157.8175.700000110.7D152 N155D152-A157 PolarHBondContact N-O 3.1Å; N155-A157 PolarHBondContact O-N 3.24Å; N155-A157 WeakPolarHBondContact OD1-CB 3.12Å; N155-A157 PolarHBondContact OD1-N 3.02Å
158A91.6Very high84.2Confident31 Ų3154.6 Ų54.626%0.25631%0.31SS..EExtended strand (participates in β ladder)trans-138.5137.8177.300000111.4Y121 I149 V150Y121-A158 HydrophobicContact CD2-CB 4.28Å; Y121-A158 HydrophobicContact CE1-CB 4.07Å; Y121-A158 HydrophobicContact CE2-CB 3.4Å; Y121-A158 VanDerWaalsContact CE2-CB 3.4Å; Y121-A158 WeakPolarHBondContact OH-CB 3.46Å; I149-A158 HydrophobicContact CG2-CB 3.79Å; V150-A158 CarbonylContact O-C 3.59Å; V150-A158 WeakPolarHBondContact O-CA 3.36Å
159N88.9Confident84.3Confident98 Ų9856.1 Ų56.152%0.52432%0.32SS..EExtended strand (participates in β ladder)trans-123.8138.3176.3-65.1-47.1000109.3I149 V150I149-N159 CarbonylContact C-O 3.57Å; I149-N159 WeakPolarHBondContact CA-O 3.39Å; V150-N159 PolarHBondContact N-O 2.99Å; V150-N159 PolarHBondContact O-N 2.95Å
160S86.8Confident84.4Confident58 Ų5856 Ų5641%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-89.2127.8172.5-166.40000110C162 T163S160-C162 PolarHBondContact OG-O 3.29Å; S160-C162 VanDerWaalsContact OG-O 3.1Å; S160-T163 WeakPolarHBondContact OG-CG2 3.46Å
161I82Confident84.6Confident33 Ų3358.1 Ų58.117%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-79.8-43.3174-71.9167.1000110.4L140 V148 V150 L182 W202 P204L140-I161 HydrophobicContact CD2-CD1 3.74Å; V148-I161 HydrophobicContact CB-CB 4.4Å; V148-I161 HydrophobicContact CG1-CD1 4.16Å; V148-I161 PolarHBondContact O-N 2.84Å; V150-I161 HydrophobicContact CG2-CD1 3.34Å; V150-I161 HydrophobicContact CG2-CG1 3.73Å; I161-L182 HydrophobicContact CD1-CD2 4.1Å; I161-W202 HydrophobicContact CD1-CE3 3.64Å; I161-W202 HydrophobicContact CD1-CZ3 3.96Å; I161-W202 HydrophobicContact CG1-CE3 4.41Å; I161-P204 HydrophobicContact CB-CG 4.19Å; I161-P204 HydrophobicContact CD1-CG 4.14Å; I161-P204 HydrophobicContact CG1-CG 3.97Å; I161-P204 HydrophobicContact CG2-CG 3.23Å
162C72.6Confident84.7Confident5 Ų558.3 Ų58.33%0.03433%0.33CS..EExtended strand (participates in β ladder)trans-128.7124.1-170.3177.40000108.9V148 S160 D164 W194V148-C162 HydrophobicContact CB-CB 4.26Å; V148-C162 HydrophobicContact CG2-CB 4.29Å; S160-C162 PolarHBondContact OG-O 3.29Å; S160-C162 VanDerWaalsContact OG-O 3.1Å; C162-D164 PolarHBondContact SG-OD1 3.33Å; C162-D164 PolarHBondContact SG-OD2 3.09Å; C162-W194 HydrophobicContact CB-CZ2 3.99Å
163T61Low84.9Confident103 Ų10357.9 Ų57.963%0.63233%0.328SS*.  trans-133.537.7172.453.20000109.7S160 G165S160-T163 WeakPolarHBondContact OG-CG2 3.46Å; T163-G165 PolarHBondContact O-N 2.92Å
164D55.8Low85.1Confident56 Ų5657.7 Ų57.730%0.29933%0.328SS..  trans-59126.8-179.2-48.2-17.1000108.5C162 Q166 N167 R209C162-D164 PolarHBondContact SG-OD1 3.33Å; C162-D164 PolarHBondContact SG-OD2 3.09Å; D164-Q166 PolarHBondContact O-N 2.79Å; D164-N167 PolarHBondContact O-N 2.99Å; D164-R209 IonicContact OD2-CZ 2.88Å; D164-R209 VanDerWaalsContact OD2-CZ 3.25Å; D164-R209 IonicContact OD2-NH1 3.58Å; D164-R209 PolarHBondContact OD2-NH1 3.24Å; D164-R209 IonicContact OD2-NH2 3.99Å; D164-R209 PolarHBondContact OD2-NH2 2.77Å
165G57.6Low85.3Confident70 Ų7051.6 Ų51.672%0.72231%0.307SS*.THydrogen-bonded Turntrans-62.43.8-175.100000115.7T163T163-G165 PolarHBondContact O-N 2.92Å
166Q67.1Low85.5Confident116 Ų11647.1 Ų47.154%0.54228%0.283SS..THydrogen-bonded Turntrans-72.5-18.1173-60.5-155-0.600112.5D164 E168D164-Q166 PolarHBondContact O-N 2.79Å; Q166-E168 HydrophobicContact CB-CG 4.32Å; Q166-E168 PolarHBondContact O-N 2.95Å
167N81.8Confident85.5Confident105 Ų10547.7 Ų47.756%0.56128%0.283SS*.  trans52.127.1172.9-66.5-29.1000115.1K145 D164K145-N167 WeakPolarHBondContact O-CA 3.5Å; D164-N167 PolarHBondContact O-N 2.99Å
168E93.6Very high85.4Confident67 Ų6752.2 Ų52.231%0.31330%0.297SS..PPolyproline II helixtrans-79.6124.8-177.7-70.7-64.9164.600110.7G146 Q166 I170 N186 A188G146-E168 WeakPolarHBondContact CA-O 3.15Å; G146-E168 PolarHBondContact N-O 2.86Å; Q166-E168 HydrophobicContact CB-CG 4.32Å; Q166-E168 PolarHBondContact O-N 2.95Å; E168-I170 PolarHBondContact O-N 3.34Å; E168-N186 HydrophobicContact CB-CB 4.13Å; E168-A188 HydrophobicContact CG-CB 3.86Å
169P95.8Very high85.3Confident33 Ų3352.7 Ų52.721%0.21430%0.297CS..PPolyproline II helixtrans-51.7125.3-178.9-26.129.9000112.7S144 N186 S187S144-P169 WeakPolarHBondContact O-CG 3.47Å; P169-N186 CarbonylContact O-C 3.55Å; P169-N186 WeakPolarHBondContact O-CA 3.32Å; P169-N186 VanDerWaalsContact O-CB 3.26Å; P169-N186 WeakPolarHBondContact O-CB 3.14Å; P169-S187 WeakPolarHBondContact CB-OG 3.44Å; P169-S187 WeakPolarHBondContact CG-OG 3.27Å; P169-S187 PolarHBondContact O-N 3.19Å; P169-S187 VanDerWaalsContact O-N 3.13Å
170I96.8Very high85.5Confident3 Ų351 Ų512%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-79.2124.7171-57.4-50.3000108.2N128 T129 T143 V148 E168 L173 A184 V185 N186N128-I170 WeakPolarHBondContact CB-O 3.5Å; N128-I170 PolarHBondContact ND2-O 2.9Å; T129-I170 HydrophobicContact CG2-CG2 4.34Å; T143-I170 PolarHBondContact O-N 3.44Å; V148-I170 HydrophobicContact CG2-CG1 4.06Å; E168-I170 PolarHBondContact O-N 3.34Å; I170-L173 HydrophobicContact CG2-CD2 3.98Å; I170-L173 HydrophobicContact CG2-CG 4.31Å; I170-A184 HydrophobicContact CD1-CB 4.47Å; I170-A184 HydrophobicContact CG2-CB 4.1Å; I170-V185 WeakPolarHBondContact CA-O 3.48Å; I170-N186 HydrophobicContact CD1-CB 4.07Å
171H97.7Very high85.8Confident49 Ų4949 Ų4923%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-98.7-34.3-177.6-70.8-56.4000113.7T129 V185 S187 V217T129-H171 WeakPolarHBondContact CB-O 3.42Å; H171-V185 PolarHBondContact N-O 2.6Å; H171-S187 PolarHBondContact NE2-OG 3.09Å; H171-V217 WeakPolarHBondContact CB-O 3.35Å; H171-V217 PolarHBondContact CD2-O 3.1Å; H171-V217 VanDerWaalsContact CD2-O 3.25Å
172S98.3Very high86.5Confident4 Ų447.4 Ų47.43%0.02827%0.267CS..EExtended strand (participates in β ladder)trans-148.7148.8-177.2-177.70000110.8A184 V185 L218 V220S172-A184 WeakPolarHBondContact O-CA 3.3Å; S172-V185 PolarHBondContact O-N 2.86Å; S172-V185 VanDerWaalsContact O-N 3.16Å; S172-L218 WeakPolarHBondContact CB-O 3.4Å; S172-V220 PolarHBondContact OG-N 2.8Å; S172-V220 VanDerWaalsContact OG-N 3.15Å; S172-V220 PolarHBondContact OG-O 2.79Å
173L97.8Very high87.6Confident10 Ų1047.1 Ų47.15%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-123.7150.1173.4-65.4172.7000109.6T129 L131 L140 V148 I170 L182 A183 A184T129-L173 HydrophobicContact CG2-CB 4.3Å; T129-L173 HydrophobicContact CG2-CD1 3.97Å; T129-L173 HydrophobicContact CG2-CG 3.7Å; L131-L173 HydrophobicContact CB-CB 4.36Å; L131-L173 HydrophobicContact CD2-CB 4.28Å; L140-L173 HydrophobicContact CB-CD1 3.91Å; V148-L173 HydrophobicContact CG1-CD1 4.27Å; V148-L173 HydrophobicContact CG1-CD2 4.21Å; V148-L173 HydrophobicContact CG2-CD2 4.17Å; I170-L173 HydrophobicContact CG2-CD2 3.98Å; I170-L173 HydrophobicContact CG2-CG 4.31Å; L173-L182 HydrophobicContact CB-CD1 4.46Å; L173-L182 HydrophobicContact CD2-CD1 4.34Å; L173-A183 CarbonylContact C-O 3.57Å; L173-A183 WeakPolarHBondContact CA-O 3.43Å; L173-A184 HydrophobicContact CD2-CB 3.5Å; L173-A184 VanDerWaalsContact CD2-CB 3.5Å
174S97.6Very high89.4Confident13 Ų1342.2 Ų42.29%0.09124%0.236CC..EExtended strand (participates in β ladder)trans-149.4142.3171.6-168.70000110.5L182 A183 Q221 F222S174-L182 WeakPolarHBondContact O-CD1 3.21Å; S174-A183 PolarHBondContact N-O 2.77Å; S174-A183 PolarHBondContact O-N 3Å; S174-Q221 WeakPolarHBondContact OG-CA 3.25Å; S174-F222 WeakPolarHBondContact O-CE2 3.21Å; S174-F222 PolarHBondContact OG-N 2.79Å; S174-F222 VanDerWaalsContact OG-N 3.09Å
175I95.7Very high91.4Very high21 Ų2139.6 Ų39.611%0.10822%0.221CC..EExtended strand (participates in β ladder)trans-115.2140.3170.7-64163.3000107.7L131 L140 V179 S181 L182 L196L131-I175 HydrophobicContact CD2-CB 4.2Å; L131-I175 HydrophobicContact CD2-CD1 3.78Å; L131-I175 HydrophobicContact CD2-CG1 3.64Å; L131-I175 HydrophobicContact CG-CD1 4.44Å; L140-I175 HydrophobicContact CD1-CD1 3.28Å; L140-I175 HydrophobicContact CD1-CG1 3.97Å; I175-V179 HydrophobicContact CG2-CB 4.46Å; I175-V179 HydrophobicContact CG2-CG1 4.22Å; I175-S181 WeakPolarHBondContact CA-O 3.42Å; I175-L182 HydrophobicContact CG1-CB 4.4Å; I175-L182 HydrophobicContact CG1-CD1 3.77Å; I175-L196 HydrophobicContact CG1-CD1 4.45Å; I175-L196 HydrophobicContact CG2-CD1 4.05Å
176D94.8Very high93.2Very high6 Ų636.4 Ų36.43%0.03219%0.188CC..  trans-65.3168.1175.770.8-41.6000112.8E178 V179 T180 S181 F222D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 2.69Å; D176-V179 PolarHBondContact O-N 2.88Å; D176-V179 WeakPolarHBondContact OD1-CA 3.34Å; D176-V179 PolarHBondContact OD1-N 2.95Å; D176-T180 PolarHBondContact OD1-N 2.78Å; D176-T180 PolarHBondContact OD2-N 2.89Å; D176-T180 PolarHBondContact OD2-OG1 3.23Å; D176-S181 PolarHBondContact N-O 2.7Å; D176-S181 PolarHBondContact OD1-N 2.92Å; D176-S181 VanDerWaalsContact OD1-O 3.07Å; D176-F222 HydrophobicContact CB-CB 4.3Å; D176-F222 HydrophobicContact CB-CD1 3.93Å; D176-F222 HydrophobicContact CB-CD2 4.14Å; D176-F222 HydrophobicContact CB-CE1 4.24Å; D176-F222 HydrophobicContact CB-CE2 4.44Å; D176-F222 HydrophobicContact CB-CG 3.87Å; D176-F222 HydrophobicContact CB-CZ 4.5Å
177Q90.5Very high94.6Very high77 Ų7731.8 Ų31.836%0.3617%0.169SC..THydrogen-bonded Turntrans-65.6-34.2-177.6-178.97016.900112.4R134 V179 P224 S226R134-Q177 PolarHBondContact NE-O 3.3Å; Q177-V179 VanDerWaalsContact C-N 3.33Å; Q177-P224 VanDerWaalsContact CB-O 3.26Å; Q177-P224 WeakPolarHBondContact CB-O 3.35Å; Q177-S226 WeakPolarHBondContact CB-OG 3.26Å; Q177-S226 PolarHBondContact N-OG 3.16Å
178E89Confident95.3Very high139 Ų13928 Ų2865%0.6515%0.152SC*.THydrogen-bonded Turntrans-84.9-2.9-177.6-57.9-55.3126.800113.6D176 T180D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 2.69Å; E178-T180 VanDerWaalsContact C-N 3.26Å; E178-T180 HydrophobicContact CB-CG2 3.8Å; E178-T180 PolarHBondContact O-N 2.91Å
179V91Very high95.4Very high41 Ų4124.8 Ų24.825%0.24814%0.137CC..SBendtrans57.838.8-179.8-161.50000112.2H133 R134 I175 D176 Q177 L196H133-V179 WeakPolarHBondContact NE2-CG1 3Å; R134-V179 HydrophobicContact CB-CG2 4.11Å; R134-V179 HydrophobicContact CG-CG2 3.72Å; I175-V179 HydrophobicContact CG2-CB 4.46Å; I175-V179 HydrophobicContact CG2-CG1 4.22Å; D176-V179 PolarHBondContact O-N 2.88Å; D176-V179 WeakPolarHBondContact OD1-CA 3.34Å; D176-V179 PolarHBondContact OD1-N 2.95Å; Q177-V179 VanDerWaalsContact C-N 3.33Å; V179-L196 HydrophobicContact CG1-CD1 4Å
180T92.1Very high95.5Very high63 Ų6324.7 Ų24.739%0.38713%0.133SC..  trans-102.3-21.4178.571.60000112.4D176 E178 S195 L196D176-T180 PolarHBondContact OD1-N 2.78Å; D176-T180 PolarHBondContact OD2-N 2.89Å; D176-T180 PolarHBondContact OD2-OG1 3.23Å; E178-T180 VanDerWaalsContact C-N 3.26Å; E178-T180 HydrophobicContact CB-CG2 3.8Å; E178-T180 PolarHBondContact O-N 2.91Å; T180-S195 WeakPolarHBondContact O-CA 3.47Å; T180-L196 PolarHBondContact O-N 3.14Å
181S94.3Very high95.5Very high14 Ų1424.5 Ų24.510%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-143.2132.4-169.7-57.90000111.7I175 D176 W194I175-S181 WeakPolarHBondContact CA-O 3.42Å; D176-S181 PolarHBondContact N-O 2.7Å; D176-S181 PolarHBondContact OD1-N 2.92Å; D176-S181 VanDerWaalsContact OD1-O 3.07Å; S181-W194 CarbonylContact C-O 3.55Å; S181-W194 VanDerWaalsContact CA-O 3.28Å; S181-W194 WeakPolarHBondContact CA-O 3.28Å
182L95.4Very high95.4Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-108.9130170.2169.161.8000108.3L140 V148 I161 L173 S174 I175 V193 W194 L196 W202L140-L182 HydrophobicContact CD1-CD1 3.93Å; L140-L182 HydrophobicContact CD1-CD2 4.18Å; L140-L182 HydrophobicContact CD2-CD2 3.97Å; V148-L182 HydrophobicContact CG1-CD2 4.39Å; I161-L182 HydrophobicContact CD1-CD2 4.1Å; L173-L182 HydrophobicContact CB-CD1 4.46Å; L173-L182 HydrophobicContact CD2-CD1 4.34Å; S174-L182 WeakPolarHBondContact O-CD1 3.21Å; I175-L182 HydrophobicContact CG1-CB 4.4Å; I175-L182 HydrophobicContact CG1-CD1 3.77Å; L182-V193 CarbonylContact O-C 3.55Å; L182-V193 VanDerWaalsContact O-CA 3.31Å; L182-V193 WeakPolarHBondContact O-CA 3.35Å; L182-W194 HydrophobicContact CB-CE3 4.49Å; L182-W194 HydrophobicContact CD2-CE3 4.34Å; L182-W194 HydrophobicContact CG-CE3 4.07Å; L182-W194 HydrophobicContact CG-CZ3 4.47Å; L182-W194 PolarHBondContact N-O 2.81Å; L182-W194 PolarHBondContact O-N 3.45Å; L182-L196 HydrophobicContact CB-CD1 4.32Å; L182-L196 HydrophobicContact CB-CD2 3.78Å; L182-L196 HydrophobicContact CB-CG 4.19Å; L182-L196 HydrophobicContact CD2-CD2 4.49Å; L182-W202 HydrophobicContact CD2-CZ3 4.49Å
183A97Very high95.3Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-111.6141.8173.300000110.7L173 S174 L191 I192 V193 V220 F222L173-A183 CarbonylContact C-O 3.57Å; L173-A183 WeakPolarHBondContact CA-O 3.43Å; S174-A183 PolarHBondContact N-O 2.77Å; S174-A183 PolarHBondContact O-N 3Å; A183-L191 HydrophobicContact CB-CD1 4.05Å; A183-I192 CarbonylContact C-O 3.55Å; A183-I192 VanDerWaalsContact CA-O 3.31Å; A183-I192 WeakPolarHBondContact CA-O 3.39Å; A183-V193 HydrophobicContact CB-CG2 4.21Å; A183-V220 HydrophobicContact CB-CG2 3.93Å; A183-F222 HydrophobicContact CB-CD2 4.41Å; A183-F222 HydrophobicContact CB-CE2 3.48Å; A183-F222 VanDerWaalsContact CB-CE2 3.48Å; A183-F222 HydrophobicContact CB-CZ 3.76Å
184A97.1Very high95.1Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-130.6153.2169.300000110.5I170 S172 L173 I192 W194I170-A184 HydrophobicContact CD1-CB 4.47Å; I170-A184 HydrophobicContact CG2-CB 4.1Å; S172-A184 WeakPolarHBondContact O-CA 3.3Å; L173-A184 HydrophobicContact CD2-CB 3.5Å; L173-A184 VanDerWaalsContact CD2-CB 3.5Å; A184-I192 PolarHBondContact N-O 3.17Å; A184-I192 PolarHBondContact O-N 3.04Å; A184-W194 HydrophobicContact CB-CH2 3.62Å; A184-W194 HydrophobicContact CB-CZ3 3.43Å; A184-W194 VanDerWaalsContact CB-CZ3 3.43Å
185V97.7Very high94.8Very high0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-134.2151.1173.7-66.10000112I170 H171 S172 Q190 L191 V217 V220 T231I170-V185 WeakPolarHBondContact CA-O 3.48Å; H171-V185 PolarHBondContact N-O 2.6Å; S172-V185 PolarHBondContact O-N 2.86Å; S172-V185 VanDerWaalsContact O-N 3.16Å; V185-Q190 VanDerWaalsContact CA-O 3.25Å; V185-Q190 WeakPolarHBondContact CA-O 3.38Å; V185-L191 HydrophobicContact CG1-CB 4.27Å; V185-L191 HydrophobicContact CG1-CD1 3.7Å; V185-V217 HydrophobicContact CB-CB 3.75Å; V185-V217 HydrophobicContact CB-CG1 3.72Å; V185-V217 HydrophobicContact CB-CG2 4.46Å; V185-V217 HydrophobicContact CG1-CB 4.28Å; V185-V217 HydrophobicContact CG1-CG1 3.82Å; V185-V217 HydrophobicContact CG2-CB 4.07Å; V185-V217 HydrophobicContact CG2-CG1 3.83Å; V185-V220 HydrophobicContact CB-CB 4.4Å; V185-V220 HydrophobicContact CG1-CB 3.62Å; V185-V220 HydrophobicContact CG1-CG1 4.07Å; V185-V220 HydrophobicContact CG1-CG2 4.07Å; V185-V220 HydrophobicContact CG2-CB 3.94Å; V185-V220 HydrophobicContact CG2-CG1 3.95Å; V185-T231 HydrophobicContact CG1-CG2 4.1Å
186N96.9Very high94.4Very high4 Ų422.5 Ų22.52%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-136.4179.1-168.572.713.8000115.1E168 P169 I170 A188 G189 Q190 V217E168-N186 HydrophobicContact CB-CB 4.13Å; P169-N186 CarbonylContact O-C 3.55Å; P169-N186 WeakPolarHBondContact O-CA 3.32Å; P169-N186 VanDerWaalsContact O-CB 3.26Å; P169-N186 WeakPolarHBondContact O-CB 3.14Å; I170-N186 HydrophobicContact CD1-CB 4.07Å; N186-A188 VanDerWaalsContact C-N 3.28Å; N186-A188 PolarHBondContact O-N 2.85Å; N186-A188 PolarHBondContact OD1-N 3.08Å; N186-A188 VanDerWaalsContact OD1-N 3.08Å; N186-G189 PolarHBondContact O-N 3.26Å; N186-G189 PolarHBondContact OD1-N 3.45Å; N186-Q190 PolarHBondContact N-O 3.28Å; N186-Q190 PolarHBondContact ND2-OE1 3.34Å; N186-Q190 WeakPolarHBondContact OD1-CB 3.47Å; N186-Q190 PolarHBondContact OD1-N 2.93Å; N186-V217 PolarHBondContact O-N 2.85Å; N186-V217 VanDerWaalsContact O-N 3.16Å
187S96.3Very high93.4Very high19 Ų1924.7 Ų24.713%0.13314%0.137CC..THydrogen-bonded Turntrans-66.2-24.3179.8-630000114.9P169 H171 G189 Y216P169-S187 WeakPolarHBondContact CB-OG 3.44Å; P169-S187 WeakPolarHBondContact CG-OG 3.27Å; P169-S187 PolarHBondContact O-N 3.19Å; P169-S187 VanDerWaalsContact O-N 3.13Å; H171-S187 PolarHBondContact NE2-OG 3.09Å; S187-G189 PolarHBondContact O-N 2.87Å; S187-Y216 PolarHBondContact O-N 2.74Å
188A96Very high92.1Very high25 Ų2525.5 Ų25.521%0.20717%0.166CC..THydrogen-bonded Turntrans-78.50.6178.300000113.9E168 N186 Q190 K211E168-A188 HydrophobicContact CG-CB 3.86Å; N186-A188 VanDerWaalsContact C-N 3.28Å; N186-A188 PolarHBondContact O-N 2.85Å; N186-A188 PolarHBondContact OD1-N 3.08Å; N186-A188 VanDerWaalsContact OD1-N 3.08Å; A188-Q190 HydrophobicContact CB-CG 4.15Å; A188-K211 VanDerWaalsContact O-CE 3.3Å; A188-K211 WeakPolarHBondContact O-CE 3.23Å
189G96.6Very high90.7Very high0 Ų022.3 Ų22.30%015%0.153CC..SBendtrans84.714.8-178.400000113.8N186 S187 K211 I212 H213 T215 V217N186-G189 PolarHBondContact O-N 3.26Å; N186-G189 PolarHBondContact OD1-N 3.45Å; S187-G189 PolarHBondContact O-N 2.87Å; G189-K211 CarbonylContact O-C 3.56Å; G189-K211 WeakPolarHBondContact O-CA 3.35Å; G189-I212 WeakPolarHBondContact O-CG1 3.13Å; G189-I212 PolarHBondContact O-N 2.83Å; G189-H213 WeakPolarHBondContact CA-O 3.26Å; G189-H213 PolarHBondContact O-N 3.47Å; G189-T215 WeakPolarHBondContact CA-O 3.07Å; G189-T215 PolarHBondContact N-O 3.02Å; G189-V217 VanDerWaalsContact C-CG2 3.45Å
190Q96.7Very high89.1Confident30 Ų3026.2 Ų26.214%0.1418%0.182CC..EExtended strand (participates in β ladder)trans-94.4144-173.4-58.6170.5-25.700112V185 N186 A188 Q210V185-Q190 VanDerWaalsContact CA-O 3.25Å; V185-Q190 WeakPolarHBondContact CA-O 3.38Å; N186-Q190 PolarHBondContact N-O 3.28Å; N186-Q190 PolarHBondContact ND2-OE1 3.34Å; N186-Q190 WeakPolarHBondContact OD1-CB 3.47Å; N186-Q190 PolarHBondContact OD1-N 2.93Å; A188-Q190 HydrophobicContact CB-CG 4.15Å; Q190-Q210 CarbonylContact C-O 3.59Å; Q190-Q210 VanDerWaalsContact CA-O 3.25Å; Q190-Q210 WeakPolarHBondContact CA-O 3.33Å
191L97.1Very high87.9Confident0 Ų025.6 Ų25.60%018%0.184CC..EExtended strand (participates in β ladder)trans-104.1124.7161.317266.4000107.9A183 V185 V193 R209 Q210 I212 V220 I229 L241A183-L191 HydrophobicContact CB-CD1 4.05Å; V185-L191 HydrophobicContact CG1-CB 4.27Å; V185-L191 HydrophobicContact CG1-CD1 3.7Å; L191-V193 HydrophobicContact CD1-CG2 4.14Å; L191-V193 HydrophobicContact CD2-CG2 4.37Å; L191-V193 HydrophobicContact CG-CG2 4.02Å; L191-R209 WeakPolarHBondContact O-CA 3.24Å; L191-Q210 PolarHBondContact N-O 2.85Å; L191-Q210 PolarHBondContact O-N 3.23Å; L191-I212 HydrophobicContact CB-CD1 3.96Å; L191-I212 HydrophobicContact CB-CG1 4.01Å; L191-I212 HydrophobicContact CB-CG2 4.1Å; L191-V220 HydrophobicContact CD1-CG2 3.88Å; L191-I229 HydrophobicContact CD2-CD1 4.3Å; L191-I229 HydrophobicContact CD2-CG2 4.37Å; L191-L241 HydrophobicContact CD2-CD1 4.48Å; L191-L241 HydrophobicContact CD2-CD2 4.21Å
192I95.6Very high87Confident2 Ų226.6 Ų26.61%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-116.8131.5176.4-47.8164.5000107.4A183 A184 W194 E206 N208 R209A183-I192 CarbonylContact C-O 3.55Å; A183-I192 VanDerWaalsContact CA-O 3.31Å; A183-I192 WeakPolarHBondContact CA-O 3.39Å; A184-I192 PolarHBondContact N-O 3.17Å; A184-I192 PolarHBondContact O-N 3.04Å; I192-W194 HydrophobicContact CB-CH2 3.67Å; I192-W194 HydrophobicContact CB-CZ2 4.02Å; I192-W194 HydrophobicContact CB-CZ3 4.06Å; I192-W194 HydrophobicContact CD1-CH2 4.24Å; I192-W194 HydrophobicContact CD1-CZ2 4.46Å; I192-W194 HydrophobicContact CG2-CD2 4.17Å; I192-W194 HydrophobicContact CG2-CE3 4.32Å; I192-W194 HydrophobicContact CG2-CH2 3.5Å; I192-W194 VanDerWaalsContact CG2-CH2 3.5Å; I192-W194 HydrophobicContact CG2-CZ2 3.3Å; I192-W194 HydrophobicContact CG2-CZ3 4Å; I192-E206 HydrophobicContact CG2-CG 4.31Å; I192-N208 WeakPolarHBondContact CA-O 3.5Å; I192-R209 HydrophobicContact CG1-CG 4.28Å
193V95.7Very high86.3Confident0 Ų033.7 Ų33.70%022%0.216CC..EExtended strand (participates in β ladder)trans-128.2128.8-180-173.30000109.7L182 A183 L191 K207 N208 I229 F246L182-V193 CarbonylContact O-C 3.55Å; L182-V193 VanDerWaalsContact O-CA 3.31Å; L182-V193 WeakPolarHBondContact O-CA 3.35Å; A183-V193 HydrophobicContact CB-CG2 4.21Å; L191-V193 HydrophobicContact CD1-CG2 4.14Å; L191-V193 HydrophobicContact CD2-CG2 4.37Å; L191-V193 HydrophobicContact CG-CG2 4.02Å; V193-K207 PolarHBondContact O-N 2.86Å; V193-N208 HydrophobicContact CB-CB 4.39Å; V193-N208 PolarHBondContact N-O 2.97Å; V193-N208 PolarHBondContact O-N 3.05Å; V193-I229 HydrophobicContact CG2-CD1 4.37Å; V193-F246 HydrophobicContact CB-CE1 3.94Å; V193-F246 HydrophobicContact CB-CZ 3.97Å; V193-F246 HydrophobicContact CG1-CE1 3.76Å; V193-F246 HydrophobicContact CG1-CZ 3.72Å; V193-F246 HydrophobicContact CG2-CD1 4.1Å; V193-F246 HydrophobicContact CG2-CE1 3.7Å; V193-F246 HydrophobicContact CG2-CZ 4.24Å
194W93.9Very high85.7Confident8 Ų834.7 Ų34.73%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-112.8144.4173.7-54.2-99.2000111.2V148 C162 S181 L182 A184 I192 P204 I205V148-W194 HydrophobicContact CG2-CH2 4.29Å; C162-W194 HydrophobicContact CB-CZ2 3.99Å; S181-W194 CarbonylContact C-O 3.55Å; S181-W194 VanDerWaalsContact CA-O 3.28Å; S181-W194 WeakPolarHBondContact CA-O 3.28Å; L182-W194 HydrophobicContact CB-CE3 4.49Å; L182-W194 HydrophobicContact CD2-CE3 4.34Å; L182-W194 HydrophobicContact CG-CE3 4.07Å; L182-W194 HydrophobicContact CG-CZ3 4.47Å; L182-W194 PolarHBondContact N-O 2.81Å; L182-W194 PolarHBondContact O-N 3.45Å; A184-W194 HydrophobicContact CB-CH2 3.62Å; A184-W194 HydrophobicContact CB-CZ3 3.43Å; A184-W194 VanDerWaalsContact CB-CZ3 3.43Å; I192-W194 HydrophobicContact CB-CH2 3.67Å; I192-W194 HydrophobicContact CB-CZ2 4.02Å; I192-W194 HydrophobicContact CB-CZ3 4.06Å; I192-W194 HydrophobicContact CD1-CH2 4.24Å; I192-W194 HydrophobicContact CD1-CZ2 4.46Å; I192-W194 HydrophobicContact CG2-CD2 4.17Å; I192-W194 HydrophobicContact CG2-CE3 4.32Å; I192-W194 HydrophobicContact CG2-CH2 3.5Å; I192-W194 VanDerWaalsContact CG2-CH2 3.5Å; I192-W194 HydrophobicContact CG2-CZ2 3.3Å; I192-W194 HydrophobicContact CG2-CZ3 4Å; W194-P204 HydrophobicContact CB-CB 3.79Å; W194-P204 HydrophobicContact CB-CG 4.31Å; W194-P204 HydrophobicContact CG-CB 4.41Å; W194-P204 HydrophobicContact CG-CG 4.44Å; W194-I205 CarbonylContact C-O 3.5Å; W194-I205 VanDerWaalsContact CA-O 3.28Å; W194-I205 WeakPolarHBondContact CA-O 3.49Å
195S91.9Very high85.3Confident23 Ų2339.7 Ų39.716%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-73.1129.6163.1-156.10000109.7T180 P204 I205 K207T180-S195 WeakPolarHBondContact O-CA 3.47Å; S195-P204 CarbonylContact O-C 3.57Å; S195-P204 WeakPolarHBondContact O-CA 3.49Å; S195-P204 WeakPolarHBondContact O-CB 3.07Å; S195-I205 PolarHBondContact N-O 3.2Å; S195-I205 PolarHBondContact O-N 3.15Å; S195-I205 VanDerWaalsContact O-N 3.09Å; S195-K207 WeakPolarHBondContact OG-CE 3.11Å; S195-K207 PolarHBondContact OG-NZ 2.95Å
196L87.7Confident85Confident21 Ų2143.7 Ų43.711%0.1127%0.267CS..  trans-83.2115.2165.9-57-175.5000107.7I175 V179 T180 L182 W202 P204I175-L196 HydrophobicContact CG1-CD1 4.45Å; I175-L196 HydrophobicContact CG2-CD1 4.05Å; V179-L196 HydrophobicContact CG1-CD1 4Å; T180-L196 PolarHBondContact O-N 3.14Å; L182-L196 HydrophobicContact CB-CD1 4.32Å; L182-L196 HydrophobicContact CB-CD2 3.78Å; L182-L196 HydrophobicContact CB-CG 4.19Å; L182-L196 HydrophobicContact CD2-CD2 4.49Å; L196-W202 HydrophobicContact CD1-CH2 4.15Å; L196-W202 HydrophobicContact CD1-CZ3 4.35Å; L196-W202 HydrophobicContact CD2-CE3 4.1Å; L196-W202 HydrophobicContact CD2-CH2 3.98Å; L196-W202 HydrophobicContact CD2-CZ3 3.35Å; L196-W202 HydrophobicContact CG-CZ3 4.44Å; L196-P204 HydrophobicContact CD2-CB 4.01Å
197T73.1Confident84.7Confident52 Ų5248.7 Ų48.732%0.31929%0.289SS..  trans-83.2135.6167.844.90000107.3D199 I205T197-D199 WeakPolarHBondContact CB-OD1 3.17Å; T197-D199 PolarHBondContact O-N 3.27Å; T197-D199 PolarHBondContact OG1-OD1 3.16Å; T197-I205 HydrophobicContact CG2-CD1 4.18Å
198G62.4Low84.6Confident94 Ų9449.3 Ų49.397%0.96929%0.291SS*.SBendtrans-67.717.1-179.300000114.7
199D60.4Low84.6Confident72 Ų7251.6 Ų51.639%0.38529%0.294SS..SBendtrans-83.6137.8175.367.8-22.6000110.4T197 A201 W202T197-D199 WeakPolarHBondContact CB-OD1 3.17Å; T197-D199 PolarHBondContact O-N 3.27Å; T197-D199 PolarHBondContact OG1-OD1 3.16Å; D199-A201 PolarHBondContact O-N 3.04Å; D199-W202 PolarHBondContact O-N 2.87Å
200S57.9Low84.5Confident123 Ų12354.2 Ų54.286%0.8631%0.306SS*.THydrogen-bonded Turntrans-62.1-2.1-179.5-48.60000114.3
201A66.9Low84.5Confident51 Ų5159.2 Ų59.242%0.42133%0.328SS..THydrogen-bonded Turntrans-92.1-1.5-173.300000114.3D199 K203D199-A201 PolarHBondContact O-N 3.04Å; A201-K203 HydrophobicContact CB-CD 4.46Å; A201-K203 HydrophobicContact CB-CG 4.27Å; A201-K203 PolarHBondContact O-N 3.42Å
202W75.1Confident84.5Confident35 Ų3560.5 Ų60.513%0.13333%0.334CS..  trans4461.6-178.6-84.996.8000112.3H133 E138 L140 V150 I161 L182 L196 D199 P204H133-W202 AromaticContact CD2-CH2 3.72Å; H133-W202 AromaticContact CD2-CZ2 3.58Å; H133-W202 AromaticContact NE2-CZ2 3.8Å; E138-W202 PolarHBondContact OE1-NE1 2.83Å; E138-W202 PolarHBondContact OE2-NE1 3.49Å; L140-W202 HydrophobicContact CD1-CH2 4.16Å; L140-W202 HydrophobicContact CD2-CH2 4.08Å; L140-W202 HydrophobicContact CD2-CZ3 3.95Å; L140-W202 HydrophobicContact CG-CH2 4.45Å; V150-W202 HydrophobicContact CB-CG 4.41Å; V150-W202 HydrophobicContact CG1-CD2 4.18Å; V150-W202 HydrophobicContact CG1-CG 4.08Å; V150-W202 HydrophobicContact CG2-CB 4.16Å; V150-W202 HydrophobicContact CG2-CD2 3.63Å; V150-W202 HydrophobicContact CG2-CE3 3.78Å; V150-W202 HydrophobicContact CG2-CG 3.82Å; V150-W202 HydrophobicContact CG2-CZ3 4.37Å; I161-W202 HydrophobicContact CD1-CE3 3.64Å; I161-W202 HydrophobicContact CD1-CZ3 3.96Å; I161-W202 HydrophobicContact CG1-CE3 4.41Å; L182-W202 HydrophobicContact CD2-CZ3 4.49Å; L196-W202 HydrophobicContact CD1-CH2 4.15Å; L196-W202 HydrophobicContact CD1-CZ3 4.35Å; L196-W202 HydrophobicContact CD2-CE3 4.1Å; L196-W202 HydrophobicContact CD2-CH2 3.98Å; L196-W202 HydrophobicContact CD2-CZ3 3.35Å; L196-W202 HydrophobicContact CG-CZ3 4.44Å; D199-W202 PolarHBondContact O-N 2.87Å; W202-P204 WeakPolarHBondContact O-CD 3.17Å
203K80.5Confident84.6Confident148 Ų14860.5 Ų60.564%0.64333%0.334SS*.  trans-11165.3173.8-67-175.3179.4-179.60110.4A201A201-K203 HydrophobicContact CB-CD 4.46Å; A201-K203 HydrophobicContact CB-CG 4.27Å; A201-K203 PolarHBondContact O-N 3.42Å
204P84Confident84.7Confident22 Ų2264.6 Ų64.614%0.14336%0.361CS..PPolyproline II helixtrans-71.6146.5-171.736.9-40.1000110.2I161 W194 S195 L196 W202I161-P204 HydrophobicContact CB-CG 4.19Å; I161-P204 HydrophobicContact CD1-CG 4.14Å; I161-P204 HydrophobicContact CG1-CG 3.97Å; I161-P204 HydrophobicContact CG2-CG 3.23Å; W194-P204 HydrophobicContact CB-CB 3.79Å; W194-P204 HydrophobicContact CB-CG 4.31Å; W194-P204 HydrophobicContact CG-CB 4.41Å; W194-P204 HydrophobicContact CG-CG 4.44Å; S195-P204 CarbonylContact O-C 3.57Å; S195-P204 WeakPolarHBondContact O-CA 3.49Å; S195-P204 WeakPolarHBondContact O-CB 3.07Å; L196-P204 HydrophobicContact CD2-CB 4.01Å; W202-P204 WeakPolarHBondContact O-CD 3.17Å
205I88.4Confident84.7Confident104 Ų10466.8 Ų66.853%0.53338%0.375SS..EExtended strand (participates in β ladder)trans-99.5120.9-174.9-59.7171.1000108.2W194 S195 T197 K207W194-I205 CarbonylContact C-O 3.5Å; W194-I205 VanDerWaalsContact CA-O 3.28Å; W194-I205 WeakPolarHBondContact CA-O 3.49Å; S195-I205 PolarHBondContact N-O 3.2Å; S195-I205 PolarHBondContact O-N 3.15Å; S195-I205 VanDerWaalsContact O-N 3.09Å; T197-I205 HydrophobicContact CG2-CD1 4.18Å; I205-K207 PolarHBondContact O-N 3.08Å; I205-K207 VanDerWaalsContact O-N 3.15Å
206E91.7Very high84.9Confident84 Ų8471 Ų7139%0.39339%0.388SS..EExtended strand (participates in β ladder)trans-60.4119.2174.3-175.4174.814800110I192 R209I192-E206 HydrophobicContact CG2-CG 4.31Å; E206-R209 VanDerWaalsContact CD-NH2 3.3Å; E206-R209 WeakPolarHBondContact OE1-CB 3.36Å; E206-R209 IonicContact OE1-CZ 2.69Å; E206-R209 IonicContact OE1-NE 3.23Å; E206-R209 PolarHBondContact OE1-NE 3.13Å; E206-R209 IonicContact OE1-NH2 3.9Å; E206-R209 PolarHBondContact OE1-NH2 2.91Å; E206-R209 IonicContact OE2-CZ 3.52Å; E206-R209 IonicContact OE2-NE 3.67Å; E206-R209 IonicContact OE2-NH2 2.93Å; E206-R209 PolarHBondContact OE2-NH2 3.23Å
207K92Very high85.4Confident109 Ų10970 Ų7047%0.47438%0.383SS..EExtended strand (participates in β ladder)trans-96.7-32.9178.2-79.2173159162.10111.7V193 S195 I205 F246V193-K207 PolarHBondContact O-N 2.86Å; S195-K207 WeakPolarHBondContact OG-CE 3.11Å; S195-K207 PolarHBondContact OG-NZ 2.95Å; I205-K207 PolarHBondContact O-N 3.08Å; I205-K207 VanDerWaalsContact O-N 3.15Å; K207-F246 HydrophobicContact CB-CE2 4.39Å
208N94Very high86.6Confident33 Ų3368.5 Ų68.518%0.17637%0.373CS..EExtended strand (participates in β ladder)trans-154.8143.4-175-175.739.6000111.8I192 V193 Q210 F246I192-N208 WeakPolarHBondContact CA-O 3.5Å; V193-N208 HydrophobicContact CB-CB 4.39Å; V193-N208 PolarHBondContact N-O 2.97Å; V193-N208 PolarHBondContact O-N 3.05Å; N208-Q210 PolarHBondContact ND2-NE2 2.77Å; N208-F246 HydrophobicContact CB-CD2 3.46Å; N208-F246 VanDerWaalsContact CB-CD2 3.46Å; N208-F246 HydrophobicContact CB-CE2 3.63Å; N208-F246 HydrophobicContact CB-CG 3.99Å; N208-F246 HydrophobicContact CB-CZ 4.31Å; N208-F246 WeakPolarHBondContact ND2-CB 3.32Å; N208-F246 WeakPolarHBondContact ND2-CG 3.15Å
209R94.9Very high88.3Confident72 Ų7266.9 Ų66.927%0.27234%0.339SS..EExtended strand (participates in β ladder)trans-144.3119.1166.9173.6-174.9-51.1-103.2-3.5108.7D164 L191 I192 E206D164-R209 IonicContact OD2-CZ 2.88Å; D164-R209 VanDerWaalsContact OD2-CZ 3.25Å; D164-R209 IonicContact OD2-NH1 3.58Å; D164-R209 PolarHBondContact OD2-NH1 3.24Å; D164-R209 IonicContact OD2-NH2 3.99Å; D164-R209 PolarHBondContact OD2-NH2 2.77Å; L191-R209 WeakPolarHBondContact O-CA 3.24Å; I192-R209 HydrophobicContact CG1-CG 4.28Å; E206-R209 VanDerWaalsContact CD-NH2 3.3Å; E206-R209 WeakPolarHBondContact OE1-CB 3.36Å; E206-R209 IonicContact OE1-CZ 2.69Å; E206-R209 IonicContact OE1-NE 3.23Å; E206-R209 PolarHBondContact OE1-NE 3.13Å; E206-R209 IonicContact OE1-NH2 3.9Å; E206-R209 PolarHBondContact OE1-NH2 2.91Å; E206-R209 IonicContact OE2-CZ 3.52Å; E206-R209 IonicContact OE2-NE 3.67Å; E206-R209 IonicContact OE2-NH2 2.93Å; E206-R209 PolarHBondContact OE2-NH2 3.23Å
210Q95.4Very high90.2Very high56 Ų5663.5 Ų63.526%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-145.8148.5-179.455.5173.2-11.200111.7Q190 L191 N208 I212 L241 F246Q190-Q210 CarbonylContact C-O 3.59Å; Q190-Q210 VanDerWaalsContact CA-O 3.25Å; Q190-Q210 WeakPolarHBondContact CA-O 3.33Å; L191-Q210 PolarHBondContact N-O 2.85Å; L191-Q210 PolarHBondContact O-N 3.23Å; N208-Q210 PolarHBondContact ND2-NE2 2.77Å; Q210-I212 HydrophobicContact CG-CG2 3.85Å; Q210-L241 VanDerWaalsContact NE2-CD2 3.28Å; Q210-F246 PolarHBondContact NE2-O 2.84Å
211K96.5Very high92.1Very high135 Ų13560 Ų6059%0.58729%0.291SS*.EExtended strand (participates in β ladder)trans-82.9113.5171.8-172.3169.3-176.1171.60109.2A188 G189 H213 P214A188-K211 VanDerWaalsContact O-CE 3.3Å; A188-K211 WeakPolarHBondContact O-CE 3.23Å; G189-K211 CarbonylContact O-C 3.56Å; G189-K211 WeakPolarHBondContact O-CA 3.35Å; K211-H213 WeakPolarHBondContact CE-O 3.21Å; K211-H213 VanDerWaalsContact CG-O 3.25Å; K211-H213 WeakPolarHBondContact CG-O 3.31Å; K211-P214 WeakPolarHBondContact CE-O 3.06Å; K211-P214 PolarHBondContact NZ-O 3.31Å
212I97.3Very high93.6Very high26 Ų2658.2 Ų58.213%0.13327%0.274CS..  trans-106.4-24.5-175.853150.6000113.2G189 L191 Q210 V217 T231 N239 L241G189-I212 WeakPolarHBondContact O-CG1 3.13Å; G189-I212 PolarHBondContact O-N 2.83Å; L191-I212 HydrophobicContact CB-CD1 3.96Å; L191-I212 HydrophobicContact CB-CG1 4.01Å; L191-I212 HydrophobicContact CB-CG2 4.1Å; Q210-I212 HydrophobicContact CG-CG2 3.85Å; I212-V217 HydrophobicContact CD1-CG1 4.16Å; I212-V217 HydrophobicContact CD1-CG2 4.05Å; I212-V217 HydrophobicContact CG1-CG2 4.03Å; I212-T231 HydrophobicContact CD1-CG2 3.51Å; I212-T231 WeakPolarHBondContact CD1-OG1 3.35Å; I212-N239 PolarHBondContact O-ND2 3.35Å; I212-L241 HydrophobicContact CG2-CD2 3.83Å
213H97.6Very high94.6Very high2 Ų256.6 Ų56.61%0.00927%0.268CS..SBendtrans-122.3149.3171-69.5-91000109.5G189 K211 T215 V217 D235 K237 N239G189-H213 WeakPolarHBondContact CA-O 3.26Å; G189-H213 PolarHBondContact O-N 3.47Å; K211-H213 WeakPolarHBondContact CE-O 3.21Å; K211-H213 VanDerWaalsContact CG-O 3.25Å; K211-H213 WeakPolarHBondContact CG-O 3.31Å; H213-T215 WeakPolarHBondContact CB-O 3.43Å; H213-T215 PolarHBondContact O-N 2.8Å; H213-V217 HydrophobicContact CB-CG2 4.02Å; H213-D235 IonicContact CE1-OD1 2.63Å; H213-D235 IonicContact CE1-OD2 2.74Å; H213-D235 IonicContact CG-OD1 3.27Å; H213-D235 IonicContact CG-OD2 2.7Å; H213-D235 IonicContact ND1-OD1 3.69Å; H213-D235 PolarHBondContact ND1-OD1 3Å; H213-D235 IonicContact ND1-OD2 3.72Å; H213-D235 PolarHBondContact ND1-OD2 3.19Å; H213-K237 PolarHBondContact CE1-O 2.93Å; H213-N239 PolarHBondContact CE1-ND2 3.33Å; H213-N239 VanDerWaalsContact CE1-ND2 3.3Å; H213-N239 PolarHBondContact NE2-ND2 3.48Å; H213-N239 VanDerWaalsContact NE2-ND2 3.14Å
214P96.8Very high95.3Very high86 Ų8651.9 Ų51.956%0.55825%0.253SS*.SBendtrans-65.6-27.9174.926.8-32.7000112.4K211 D235K211-P214 WeakPolarHBondContact CE-O 3.06Å; K211-P214 PolarHBondContact NZ-O 3.31Å; P214-D235 WeakPolarHBondContact CD-OD2 3.34Å; P214-D235 HydrophobicContact CG-CB 3.87Å
215T94.6Very high95.8Very high54 Ų5454.6 Ų54.633%0.33127%0.266SS..SBendtrans-124.5-167.9-177.364.60000110.9G189 H213 V217 D235G189-T215 WeakPolarHBondContact CA-O 3.07Å; G189-T215 PolarHBondContact N-O 3.02Å; H213-T215 WeakPolarHBondContact CB-O 3.43Å; H213-T215 PolarHBondContact O-N 2.8Å; T215-V217 PolarHBondContact O-N 3.18Å; T215-D235 PolarHBondContact OG1-N 2.87Å
216Y96.2Very high96.2Very high111 Ų11150.5 Ų50.544%0.43525%0.247SC..  trans-39.9133.7175.5-48.8-85.4000113.7S187 G233 G234 W261S187-Y216 PolarHBondContact O-N 2.74Å; Y216-G233 WeakPolarHBondContact O-CA 3.43Å; Y216-G234 PolarHBondContact O-N 2.93Å; Y216-W261 HydrophobicContact CD2-CH2 4.38Å
217V98.1Very high96.5Very high0 Ų049.8 Ų49.80%025%0.248CC..EExtended strand (participates in β ladder)trans-103.3126.8160.5-1660000107.6H171 V185 N186 G189 I212 H213 T215 T231 G232H171-V217 WeakPolarHBondContact CB-O 3.35Å; H171-V217 PolarHBondContact CD2-O 3.1Å; H171-V217 VanDerWaalsContact CD2-O 3.25Å; V185-V217 HydrophobicContact CB-CB 3.75Å; V185-V217 HydrophobicContact CB-CG1 3.72Å; V185-V217 HydrophobicContact CB-CG2 4.46Å; V185-V217 HydrophobicContact CG1-CB 4.28Å; V185-V217 HydrophobicContact CG1-CG1 3.82Å; V185-V217 HydrophobicContact CG2-CB 4.07Å; V185-V217 HydrophobicContact CG2-CG1 3.83Å; N186-V217 PolarHBondContact O-N 2.85Å; N186-V217 VanDerWaalsContact O-N 3.16Å; G189-V217 VanDerWaalsContact C-CG2 3.45Å; I212-V217 HydrophobicContact CD1-CG1 4.16Å; I212-V217 HydrophobicContact CD1-CG2 4.05Å; I212-V217 HydrophobicContact CG1-CG2 4.03Å; H213-V217 HydrophobicContact CB-CG2 4.02Å; T215-V217 PolarHBondContact O-N 3.18Å; V217-T231 HydrophobicContact CG1-CG2 4.25Å; V217-G232 WeakPolarHBondContact CG1-O 3.25Å
218L98.3Very high96.7Very high21 Ų2146.1 Ų46.111%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-100-33-169.6-58.6172.9000111.9S172 G232 W261 W263S172-L218 WeakPolarHBondContact CB-O 3.4Å; L218-G232 PolarHBondContact N-O 3.49Å; L218-W261 HydrophobicContact CD1-CB 4.18Å; L218-W261 HydrophobicContact CD1-CD2 4.38Å; L218-W261 HydrophobicContact CD1-CE3 3.7Å; L218-W261 HydrophobicContact CD1-CZ3 4.41Å; L218-W263 HydrophobicContact CD1-CD2 4.01Å; L218-W263 HydrophobicContact CD1-CE3 3.83Å; L218-W263 HydrophobicContact CD1-CG 4.45Å; L218-W263 HydrophobicContact CD1-CZ3 4.23Å; L218-W263 HydrophobicContact CD2-CZ3 4.5Å
219K98.5Very high97Very high60 Ų6044.5 Ų44.526%0.26123%0.225SC..EExtended strand (participates in β ladder)trans-136.3145.3-178.6-164.675.2-179.6-137.50111.6T231 G232 D264K219-T231 VanDerWaalsContact O-CA 3.24Å; K219-T231 WeakPolarHBondContact O-CA 3.37Å; K219-G232 PolarHBondContact N-O 2.81Å; K219-G232 PolarHBondContact O-N 3.39Å; K219-G232 VanDerWaalsContact O-N 3.08Å; K219-D264 WeakPolarHBondContact CD-OD1 2.99Å; K219-D264 WeakPolarHBondContact CE-OD1 3.31Å; K219-D264 WeakPolarHBondContact CG-OD1 3.43Å; K219-D264 IonicContact NZ-OD1 3.43Å; K219-D264 PolarHBondContact NZ-OD1 2.78Å; K219-D264 IonicContact NZ-OD2 3.01Å
220V98.6Very high97.1Very high1 Ų141.1 Ų41.11%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-132.6141.6165.863.30000109.9S172 A183 V185 L191 I229 A230 T231S172-V220 PolarHBondContact OG-N 2.8Å; S172-V220 VanDerWaalsContact OG-N 3.15Å; S172-V220 PolarHBondContact OG-O 2.79Å; A183-V220 HydrophobicContact CB-CG2 3.93Å; V185-V220 HydrophobicContact CB-CB 4.4Å; V185-V220 HydrophobicContact CG1-CB 3.62Å; V185-V220 HydrophobicContact CG1-CG1 4.07Å; V185-V220 HydrophobicContact CG1-CG2 4.07Å; V185-V220 HydrophobicContact CG2-CB 3.94Å; V185-V220 HydrophobicContact CG2-CG1 3.95Å; L191-V220 HydrophobicContact CD1-CG2 3.88Å; V220-I229 HydrophobicContact CG2-CG2 3.59Å; V220-A230 WeakPolarHBondContact CA-O 3.25Å; V220-T231 HydrophobicContact CB-CG2 4.09Å; V220-T231 HydrophobicContact CG2-CG2 3.84Å
221Q98.2Very high97.3Very high51 Ų5138.4 Ų38.424%0.23820%0.199CC..EExtended strand (participates in β ladder)trans-147.6133.3173.7-155.5-170.319.100110.9S174 I229 A230 C265 F267S174-Q221 WeakPolarHBondContact OG-CA 3.25Å; Q221-I229 CarbonylContact O-C 3.49Å; Q221-I229 WeakPolarHBondContact O-CA 3.45Å; Q221-A230 PolarHBondContact N-O 3.23Å; Q221-A230 PolarHBondContact O-N 3.45Å; Q221-C265 PolarHBondContact OE1-O 3.07Å; Q221-F267 HydrophobicContact CB-CD2 4.44Å; Q221-F267 HydrophobicContact CG-CD2 4.5Å
222F98Very high97.4Very high12 Ų1232 Ų325%0.05317%0.172CC..EExtended strand (participates in β ladder)trans-73144.9162.4-73.8-82.6000110.6S174 D176 A183 L228 I229 T243S174-F222 WeakPolarHBondContact O-CE2 3.21Å; S174-F222 PolarHBondContact OG-N 2.79Å; S174-F222 VanDerWaalsContact OG-N 3.09Å; D176-F222 HydrophobicContact CB-CB 4.3Å; D176-F222 HydrophobicContact CB-CD1 3.93Å; D176-F222 HydrophobicContact CB-CD2 4.14Å; D176-F222 HydrophobicContact CB-CE1 4.24Å; D176-F222 HydrophobicContact CB-CE2 4.44Å; D176-F222 HydrophobicContact CB-CG 3.87Å; D176-F222 HydrophobicContact CB-CZ 4.5Å; A183-F222 HydrophobicContact CB-CD2 4.41Å; A183-F222 HydrophobicContact CB-CE2 3.48Å; A183-F222 VanDerWaalsContact CB-CE2 3.48Å; A183-F222 HydrophobicContact CB-CZ 3.76Å; F222-L228 WeakPolarHBondContact CA-O 3.3Å; F222-I229 HydrophobicContact CD1-CD1 4.14Å; F222-I229 HydrophobicContact CD1-CG1 3.54Å; F222-I229 HydrophobicContact CE1-CD1 3.52Å; F222-I229 HydrophobicContact CE1-CG1 3.48Å; F222-I229 VanDerWaalsContact CE1-CG1 3.48Å; F222-I229 HydrophobicContact CG-CG1 4.33Å; F222-I229 HydrophobicContact CZ-CD1 3.95Å; F222-I229 HydrophobicContact CZ-CG1 4.21Å; F222-T243 HydrophobicContact CD1-CG2 3.79Å; F222-T243 HydrophobicContact CE1-CG2 3.88Å
223S97.4Very high97.4Very high2 Ų230.8 Ų30.81%0.01417%0.165CC..  trans-67.9150.7166.957.30000110.7D225 S226 T227 L228S223-D225 VanDerWaalsContact CB-OD1 3.28Å; S223-D225 WeakPolarHBondContact CB-OD1 3.4Å; S223-D225 PolarHBondContact O-N 3.26Å; S223-D225 PolarHBondContact OG-OD1 2.88Å; S223-S226 WeakPolarHBondContact O-CA 3.24Å; S223-S226 PolarHBondContact O-N 2.98Å; S223-T227 PolarHBondContact OG-N 2.89Å; S223-L228 PolarHBondContact N-O 3.08Å; S223-L228 PolarHBondContact OG-N 3.17Å; S223-L228 PolarHBondContact OG-O 3.21Å
224P95.4Very high97.4Very high49 Ų4931.2 Ų31.232%0.31817%0.17SC..THydrogen-bonded Turntrans-56.3-31.5177.5-31.236.9000115.1Q177 S226 F267 S268 A269 S271Q177-P224 VanDerWaalsContact CB-O 3.26Å; Q177-P224 WeakPolarHBondContact CB-O 3.35Å; P224-S226 PolarHBondContact O-N 2.88Å; P224-F267 HydrophobicContact CG-CB 4.4Å; P224-S268 WeakPolarHBondContact CG-O 3.17Å; P224-A269 WeakPolarHBondContact CB-O 3.44Å; P224-S271 WeakPolarHBondContact CD-OG 3.38Å
225D94.9Very high97.5Very high79 Ų7928.5 Ų28.542%0.42215%0.151SC..THydrogen-bonded Turntrans-79.2-1.3174.572.1-6.5000113.7S223 T227 S271S223-D225 VanDerWaalsContact CB-OD1 3.28Å; S223-D225 WeakPolarHBondContact CB-OD1 3.4Å; S223-D225 PolarHBondContact O-N 3.26Å; S223-D225 PolarHBondContact OG-OD1 2.88Å; D225-T227 HydrophobicContact CB-CG2 4.28Å; D225-T227 PolarHBondContact O-N 2.86Å; D225-T227 PolarHBondContact OD1-N 3.34Å; D225-T227 PolarHBondContact OD1-OG1 2.84Å; D225-T227 WeakPolarHBondContact OD2-CG2 3.48Å; D225-T227 PolarHBondContact OD2-OG1 3.34Å; D225-S271 PolarHBondContact N-OG 3.38Å; D225-S271 PolarHBondContact OD1-OG 3.08Å
226S95.6Very high97.6Very high18 Ų1826 Ų2613%0.12614%0.135CC..SBendtrans57.622.7-177.9-51.30000114.8Q177 S223 P224 T243Q177-S226 WeakPolarHBondContact CB-OG 3.26Å; Q177-S226 PolarHBondContact N-OG 3.16Å; S223-S226 WeakPolarHBondContact O-CA 3.24Å; S223-S226 PolarHBondContact O-N 2.98Å; P224-S226 PolarHBondContact O-N 2.88Å; S226-T243 WeakPolarHBondContact O-CB 3.41Å; S226-T243 VanDerWaalsContact O-CG2 3.29Å; S226-T243 WeakPolarHBondContact O-CG2 3.19Å; S226-T243 PolarHBondContact O-OG1 2.95Å
227T97.2Very high97.7Very high69 Ų6924.5 Ų24.542%0.42313%0.131SC..SBendtrans-96-22.3179.171.40000113.9S223 D225 T243S223-T227 PolarHBondContact OG-N 2.89Å; D225-T227 HydrophobicContact CB-CG2 4.28Å; D225-T227 PolarHBondContact O-N 2.86Å; D225-T227 PolarHBondContact OD1-N 3.34Å; D225-T227 PolarHBondContact OD1-OG1 2.84Å; D225-T227 WeakPolarHBondContact OD2-CG2 3.48Å; D225-T227 PolarHBondContact OD2-OG1 3.34Å; T227-T243 WeakPolarHBondContact CA-OG1 3.46Å; T227-T243 PolarHBondContact O-N 2.56Å; T227-T243 PolarHBondContact O-OG1 2.95Å
228L98Very high97.7Very high31 Ų3124.5 Ų24.516%0.16213%0.131CC..EExtended strand (participates in β ladder)trans-127.3155.5-177.2-63.6174.9000112.5F222 S223 L241 V249 F267 L288F222-L228 WeakPolarHBondContact CA-O 3.3Å; S223-L228 PolarHBondContact N-O 3.08Å; S223-L228 PolarHBondContact OG-N 3.17Å; S223-L228 PolarHBondContact OG-O 3.21Å; L228-L241 CarbonylContact C-O 3.56Å; L228-L241 VanDerWaalsContact CA-O 3.25Å; L228-L241 WeakPolarHBondContact CA-O 3.46Å; L228-V249 HydrophobicContact CD2-CG2 4.19Å; L228-F267 HydrophobicContact CB-CE1 4.46Å; L228-F267 HydrophobicContact CB-CZ 4.08Å; L228-F267 HydrophobicContact CD1-CE1 4.42Å; L228-L288 HydrophobicContact CD1-CD1 4.48Å
229I98.5Very high97.7Very high0 Ų023.7 Ų23.70%013%0.127CC..EExtended strand (participates in β ladder)trans-120.2128164.5-64.1170.4000107.7L191 V193 V220 Q221 F222 T231 L240 L241 T243 F246L191-I229 HydrophobicContact CD2-CD1 4.3Å; L191-I229 HydrophobicContact CD2-CG2 4.37Å; V193-I229 HydrophobicContact CG2-CD1 4.37Å; V220-I229 HydrophobicContact CG2-CG2 3.59Å; Q221-I229 CarbonylContact O-C 3.49Å; Q221-I229 WeakPolarHBondContact O-CA 3.45Å; F222-I229 HydrophobicContact CD1-CD1 4.14Å; F222-I229 HydrophobicContact CD1-CG1 3.54Å; F222-I229 HydrophobicContact CE1-CD1 3.52Å; F222-I229 HydrophobicContact CE1-CG1 3.48Å; F222-I229 VanDerWaalsContact CE1-CG1 3.48Å; F222-I229 HydrophobicContact CG-CG1 4.33Å; F222-I229 HydrophobicContact CZ-CD1 3.95Å; F222-I229 HydrophobicContact CZ-CG1 4.21Å; I229-T231 HydrophobicContact CG2-CG2 4.1Å; I229-L240 CarbonylContact O-C 3.59Å; I229-L240 VanDerWaalsContact O-CA 3.31Å; I229-L240 WeakPolarHBondContact O-CA 3.44Å; I229-L241 PolarHBondContact N-O 2.95Å; I229-L241 PolarHBondContact O-N 2.95Å; I229-T243 HydrophobicContact CD1-CG2 4.31Å; I229-T243 HydrophobicContact CG1-CG2 3.81Å; I229-F246 HydrophobicContact CD1-CD1 4.07Å; I229-F246 HydrophobicContact CD1-CE1 4.09Å
230A98.7Very high97.7Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-98.3143.1166.500000110.5V220 Q221 N239 L240 F267 L274V220-A230 WeakPolarHBondContact CA-O 3.25Å; Q221-A230 PolarHBondContact N-O 3.23Å; Q221-A230 PolarHBondContact O-N 3.45Å; A230-N239 WeakPolarHBondContact CA-O 3.27Å; A230-L240 HydrophobicContact CB-CD2 3.71Å; A230-F267 HydrophobicContact CB-CD2 4.33Å; A230-F267 HydrophobicContact CB-CE2 3.38Å; A230-F267 HydrophobicContact CB-CZ 3.59Å; A230-L274 HydrophobicContact CB-CD1 3.72Å; A230-L274 HydrophobicContact CB-CD2 4.09Å
231T98.7Very high97.7Very high0 Ų021.1 Ų21.10%012%0.116CC..EExtended strand (participates in β ladder)trans-137.8138.6173.847.80000111V185 I212 V217 K219 V220 I229 F238 N239V185-T231 HydrophobicContact CG1-CG2 4.1Å; I212-T231 HydrophobicContact CD1-CG2 3.51Å; I212-T231 WeakPolarHBondContact CD1-OG1 3.35Å; V217-T231 HydrophobicContact CG1-CG2 4.25Å; K219-T231 VanDerWaalsContact O-CA 3.24Å; K219-T231 WeakPolarHBondContact O-CA 3.37Å; V220-T231 HydrophobicContact CB-CG2 4.09Å; V220-T231 HydrophobicContact CG2-CG2 3.84Å; I229-T231 HydrophobicContact CG2-CG2 4.1Å; T231-F238 CarbonylContact O-C 3.57Å; T231-F238 WeakPolarHBondContact O-CA 3.32Å; T231-F238 WeakPolarHBondContact O-CB 3.32Å; T231-N239 PolarHBondContact N-O 2.54Å; T231-N239 PolarHBondContact O-N 2.94Å; T231-N239 WeakPolarHBondContact OG1-CB 3.33Å; T231-N239 PolarHBondContact OG1-O 3.35Å
232G98.5Very high97.7Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-111.5132.917700000111.3V217 L218 K219 V262V217-G232 WeakPolarHBondContact CG1-O 3.25Å; L218-G232 PolarHBondContact N-O 3.49Å; K219-G232 PolarHBondContact N-O 2.81Å; K219-G232 PolarHBondContact O-N 3.39Å; K219-G232 VanDerWaalsContact O-N 3.08Å; G232-V262 CarbonylContact C-O 3.57Å
233G98Very high97.6Very high0 Ų024.6 Ų24.60%013%0.133CC..EExtended strand (participates in β ladder)trans-117.1156.1-172.400000115.4Y216 D235 G236 K237 V262Y216-G233 WeakPolarHBondContact O-CA 3.43Å; G233-D235 WeakPolarHBondContact CA-OD1 3.4Å; G233-D235 PolarHBondContact O-N 2.9Å; G233-G236 PolarHBondContact O-N 2.65Å; G233-K237 PolarHBondContact N-O 3.01Å; G233-V262 PolarHBondContact O-N 3.14Å
234G97.8Very high97.6Very high11 Ų1129 Ų2911%0.11317%0.17CC..THydrogen-bonded Turntrans-71.7-4.3167.900000114Y216 W261Y216-G234 PolarHBondContact O-N 2.93Å; G234-W261 PolarHBondContact O-NE1 3.41Å
235D97.5Very high97.6Very high30 Ų3031.4 Ų31.416%0.1618%0.18CC..THydrogen-bonded Turntrans-85.56171.266.6-16.6000112.8H213 P214 T215 G233 K237H213-D235 IonicContact CE1-OD1 2.63Å; H213-D235 IonicContact CE1-OD2 2.74Å; H213-D235 IonicContact CG-OD1 3.27Å; H213-D235 IonicContact CG-OD2 2.7Å; H213-D235 IonicContact ND1-OD1 3.69Å; H213-D235 PolarHBondContact ND1-OD1 3Å; H213-D235 IonicContact ND1-OD2 3.72Å; H213-D235 PolarHBondContact ND1-OD2 3.19Å; P214-D235 WeakPolarHBondContact CD-OD2 3.34Å; P214-D235 HydrophobicContact CG-CB 3.87Å; T215-D235 PolarHBondContact OG1-N 2.87Å; G233-D235 WeakPolarHBondContact CA-OD1 3.4Å; G233-D235 PolarHBondContact O-N 2.9Å; D235-K237 VanDerWaalsContact C-N 3.28Å; D235-K237 PolarHBondContact O-N 2.95Å; D235-K237 PolarHBondContact OD1-N 3.04Å; D235-K237 VanDerWaalsContact OD1-N 3.12Å
236G97.8Very high97.7Very high0 Ų028.8 Ų28.80%017%0.165CC..SBendtrans73.816.4-179.600000114.7G233 G254 H260G233-G236 PolarHBondContact O-N 2.65Å; G236-G254 PolarHBondContact O-N 3.32Å; G236-H260 WeakPolarHBondContact CA-O 3.18Å
237K98.3Very high97.8Very high81 Ų8130 Ų3035%0.35217%0.173SC..EExtended strand (participates in β ladder)trans-115.5160.2178.8-63.5170.3178.1179.70111.6H213 G233 D235 T251 R252H213-K237 PolarHBondContact CE1-O 2.93Å; G233-K237 PolarHBondContact N-O 3.01Å; D235-K237 VanDerWaalsContact C-N 3.28Å; D235-K237 PolarHBondContact O-N 2.95Å; D235-K237 PolarHBondContact OD1-N 3.04Å; D235-K237 VanDerWaalsContact OD1-N 3.12Å; K237-T251 HydrophobicContact CB-CG2 4.19Å; K237-T251 HydrophobicContact CD-CG2 3.65Å; K237-T251 HydrophobicContact CG-CG2 4.26Å; K237-R252 CarbonylContact C-O 3.58Å; K237-R252 WeakPolarHBondContact CA-O 3.36Å; K237-R252 WeakPolarHBondContact CB-O 3.49Å
238F98.4Very high97.8Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-122.2147.9159.569.4-87.9000110T231 R252 V262 L274 T276 W286T231-F238 CarbonylContact O-C 3.57Å; T231-F238 WeakPolarHBondContact O-CA 3.32Å; T231-F238 WeakPolarHBondContact O-CB 3.32Å; F238-R252 HydrophobicContact CD1-CB 4.04Å; F238-R252 HydrophobicContact CD2-CB 4.5Å; F238-R252 HydrophobicContact CE1-CB 3.45Å; F238-R252 VanDerWaalsContact CE1-CB 3.45Å; F238-R252 HydrophobicContact CE2-CB 3.98Å; F238-R252 HydrophobicContact CE2-CG 4.41Å; F238-R252 HydrophobicContact CZ-CB 3.45Å; F238-R252 VanDerWaalsContact CZ-CB 3.45Å; F238-R252 HydrophobicContact CZ-CG 4.05Å; F238-R252 PolarHBondContact N-O 3.41Å; F238-R252 PolarHBondContact O-N 2.74Å; F238-V262 HydrophobicContact CB-CG1 4.39Å; F238-L274 HydrophobicContact CD2-CD2 3.64Å; F238-L274 HydrophobicContact CE2-CD2 3.73Å; F238-L274 HydrophobicContact CG-CD2 4.37Å; F238-T276 HydrophobicContact CD1-CG2 4.05Å; F238-T276 HydrophobicContact CE1-CG2 4.32Å; F238-T276 HydrophobicContact CG-CG2 4.31Å; F238-W286 AromaticContact CE1-CD2 3.76Å; F238-W286 HydrophobicContact CE1-CD2 3.76Å; F238-W286 AromaticContact CE1-CE2 3.5Å; F238-W286 HydrophobicContact CE1-CE3 4.12Å; F238-W286 HydrophobicContact CE1-CG 4.31Å; F238-W286 HydrophobicContact CE1-CH2 4.07Å; F238-W286 AromaticContact CE1-CZ2 3.69Å; F238-W286 HydrophobicContact CE1-CZ2 3.69Å; F238-W286 HydrophobicContact CE1-CZ3 4.26Å; F238-W286 AromaticContact CE1-NE1 3.85Å; F238-W286 AromaticContact CZ-CD2 3.61Å; F238-W286 HydrophobicContact CZ-CD2 3.61Å; F238-W286 AromaticContact CZ-CE2 3.87Å; F238-W286 AromaticContact CZ-CE3 3.9Å; F238-W286 HydrophobicContact CZ-CE3 3.9Å; F238-W286 AromaticContact CZ-CG 3.88Å; F238-W286 HydrophobicContact CZ-CG 3.88Å; F238-W286 HydrophobicContact CZ-CZ2 4.4Å; F238-W286 HydrophobicContact CZ-CZ3 4.41Å
239N98.4Very high97.8Very high3 Ų333.5 Ų33.52%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-117145.5177.9-65.1-37.2000110.3I212 H213 A230 T231 L241 L248 T250 T251I212-N239 PolarHBondContact O-ND2 3.35Å; H213-N239 PolarHBondContact CE1-ND2 3.33Å; H213-N239 VanDerWaalsContact CE1-ND2 3.3Å; H213-N239 PolarHBondContact NE2-ND2 3.48Å; H213-N239 VanDerWaalsContact NE2-ND2 3.14Å; A230-N239 WeakPolarHBondContact CA-O 3.27Å; T231-N239 PolarHBondContact N-O 2.54Å; T231-N239 PolarHBondContact O-N 2.94Å; T231-N239 WeakPolarHBondContact OG1-CB 3.33Å; T231-N239 PolarHBondContact OG1-O 3.35Å; N239-L241 HydrophobicContact CB-CD1 4.07Å; N239-L248 HydrophobicContact CB-CD1 3.72Å; N239-T250 WeakPolarHBondContact CA-O 3.48Å; N239-T251 VanDerWaalsContact OD1-CB 3.26Å; N239-T251 WeakPolarHBondContact OD1-CB 3.47Å; N239-T251 VanDerWaalsContact OD1-CG2 3.23Å; N239-T251 WeakPolarHBondContact OD1-CG2 3.26Å; N239-T251 PolarHBondContact OD1-OG1 2.81Å
240L98.5Very high97.7Very high6 Ų635.3 Ų35.33%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-112.3135.6164.5-58.1178.5000109.6I229 A230 V249 T250 F267 L274 L288I229-L240 CarbonylContact O-C 3.59Å; I229-L240 VanDerWaalsContact O-CA 3.31Å; I229-L240 WeakPolarHBondContact O-CA 3.44Å; A230-L240 HydrophobicContact CB-CD2 3.71Å; L240-V249 HydrophobicContact CB-CB 4.32Å; L240-V249 WeakPolarHBondContact O-CB 3.07Å; L240-V249 PolarHBondContact O-N 3.05Å; L240-T250 HydrophobicContact CB-CG2 3.97Å; L240-T250 HydrophobicContact CD1-CG2 3.75Å; L240-T250 HydrophobicContact CG-CG2 3.86Å; L240-T250 PolarHBondContact N-O 2.94Å; L240-T250 PolarHBondContact O-N 2.83Å; L240-F267 HydrophobicContact CD2-CE1 4.44Å; L240-F267 HydrophobicContact CD2-CZ 4.02Å; L240-L274 HydrophobicContact CD2-CD2 4.2Å; L240-L288 HydrophobicContact CD1-CD1 4.12Å; L240-L288 HydrophobicContact CD1-CD2 3.72Å; L240-L288 HydrophobicContact CD1-CG 4.34Å
241L98.4Very high97.6Very high1 Ų138.1 Ų38.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-128.7148.8179-55.592.7000110.1L191 Q210 I212 L228 I229 N239 F246 S247 L248L191-L241 HydrophobicContact CD2-CD1 4.48Å; L191-L241 HydrophobicContact CD2-CD2 4.21Å; Q210-L241 VanDerWaalsContact NE2-CD2 3.28Å; I212-L241 HydrophobicContact CG2-CD2 3.83Å; L228-L241 CarbonylContact C-O 3.56Å; L228-L241 VanDerWaalsContact CA-O 3.25Å; L228-L241 WeakPolarHBondContact CA-O 3.46Å; I229-L241 PolarHBondContact N-O 2.95Å; I229-L241 PolarHBondContact O-N 2.95Å; N239-L241 HydrophobicContact CB-CD1 4.07Å; L241-F246 WeakPolarHBondContact CD2-O 3.37Å; L241-S247 CarbonylContact C-O 3.48Å; L241-S247 WeakPolarHBondContact CA-O 3.49Å; L241-S247 WeakPolarHBondContact CB-O 3.42Å; L241-L248 HydrophobicContact CG-CD1 4.34Å
242K97.8Very high97.5Very high102 Ų10240.7 Ų40.744%0.44323%0.23SC..EExtended strand (participates in β ladder)trans-74.9142.1171.2-64.9-176.9-174.6173.30110.3A244 F246 S247 V249K242-A244 VanDerWaalsContact C-N 3.34Å; K242-F246 WeakPolarHBondContact O-CA 3.39Å; K242-F246 PolarHBondContact O-N 2.85Å; K242-S247 PolarHBondContact N-O 3.04Å; K242-V249 HydrophobicContact CD-CG2 4.42Å; K242-V249 HydrophobicContact CG-CG2 3.51Å
243T96.8Very high97.5Very high35 Ų3545.7 Ų45.722%0.21525%0.253CS..THydrogen-bonded Turntrans-76.6-24176.655.50000113F222 S226 T227 I229F222-T243 HydrophobicContact CD1-CG2 3.79Å; F222-T243 HydrophobicContact CE1-CG2 3.88Å; S226-T243 WeakPolarHBondContact O-CB 3.41Å; S226-T243 VanDerWaalsContact O-CG2 3.29Å; S226-T243 WeakPolarHBondContact O-CG2 3.19Å; S226-T243 PolarHBondContact O-OG1 2.95Å; T227-T243 WeakPolarHBondContact CA-OG1 3.46Å; T227-T243 PolarHBondContact O-N 2.56Å; T227-T243 PolarHBondContact O-OG1 2.95Å; I229-T243 HydrophobicContact CD1-CG2 4.31Å; I229-T243 HydrophobicContact CG1-CG2 3.81Å
244A96.1Very high97.4Very high95 Ų9545.7 Ų45.779%0.78525%0.253SS*.THydrogen-bonded Turntrans-66.1-40.1-176.700000113.8K242K242-A244 VanDerWaalsContact C-N 3.34Å
245D96Very high97.4Very high98 Ų9845.3 Ų45.352%0.52425%0.249SC..THydrogen-bonded Turntrans-136.61.4-175.964.62.3000113.6S247D245-S247 VanDerWaalsContact CG-OG 3.3Å; D245-S247 PolarHBondContact O-N 3.09Å; D245-S247 WeakPolarHBondContact OD1-CB 3.47Å; D245-S247 PolarHBondContact OD1-N 3.15Å; D245-S247 PolarHBondContact OD1-OG 2.86Å; D245-S247 PolarHBondContact OD2-OG 2.89Å
246F96.6Very high97.2Very high24 Ų2449 Ų4911%0.10527%0.274CS..  trans59.322.3-176.4-47.8-72.8000114.6V193 K207 N208 Q210 I229 L241 K242V193-F246 HydrophobicContact CB-CE1 3.94Å; V193-F246 HydrophobicContact CB-CZ 3.97Å; V193-F246 HydrophobicContact CG1-CE1 3.76Å; V193-F246 HydrophobicContact CG1-CZ 3.72Å; V193-F246 HydrophobicContact CG2-CD1 4.1Å; V193-F246 HydrophobicContact CG2-CE1 3.7Å; V193-F246 HydrophobicContact CG2-CZ 4.24Å; K207-F246 HydrophobicContact CB-CE2 4.39Å; N208-F246 HydrophobicContact CB-CD2 3.46Å; N208-F246 VanDerWaalsContact CB-CD2 3.46Å; N208-F246 HydrophobicContact CB-CE2 3.63Å; N208-F246 HydrophobicContact CB-CG 3.99Å; N208-F246 HydrophobicContact CB-CZ 4.31Å; N208-F246 WeakPolarHBondContact ND2-CB 3.32Å; N208-F246 WeakPolarHBondContact ND2-CG 3.15Å; Q210-F246 PolarHBondContact NE2-O 2.84Å; I229-F246 HydrophobicContact CD1-CD1 4.07Å; I229-F246 HydrophobicContact CD1-CE1 4.09Å; L241-F246 WeakPolarHBondContact CD2-O 3.37Å; K242-F246 WeakPolarHBondContact O-CA 3.39Å; K242-F246 PolarHBondContact O-N 2.85Å
247S97.6Very high97Very high43 Ų4351.4 Ų51.430%0.30129%0.291SS..  trans-70.6141.617461.50000111.8L241 K242 D245 V249L241-S247 CarbonylContact C-O 3.48Å; L241-S247 WeakPolarHBondContact CA-O 3.49Å; L241-S247 WeakPolarHBondContact CB-O 3.42Å; K242-S247 PolarHBondContact N-O 3.04Å; D245-S247 VanDerWaalsContact CG-OG 3.3Å; D245-S247 PolarHBondContact O-N 3.09Å; D245-S247 WeakPolarHBondContact OD1-CB 3.47Å; D245-S247 PolarHBondContact OD1-N 3.15Å; D245-S247 PolarHBondContact OD1-OG 2.86Å; D245-S247 PolarHBondContact OD2-OG 2.89Å; S247-V249 PolarHBondContact O-N 2.86Å
248L97.8Very high96.7Very high99 Ų9948 Ų4852%0.51828%0.279SS..EExtended strand (participates in β ladder)trans-69.7121.6175.3-177.970.6000110.2N239 L241 T251N239-L248 HydrophobicContact CB-CD1 3.72Å; L241-L248 HydrophobicContact CG-CD1 4.34Å; L248-T251 WeakPolarHBondContact CD2-OG1 3.37Å
249V97Very high96.5Very high76 Ų7655.7 Ų55.746%0.46132%0.315SS..EExtended strand (participates in β ladder)trans-87-50.5175.5-179.70000110.5L228 L240 K242 S247L228-V249 HydrophobicContact CD2-CG2 4.19Å; L240-V249 HydrophobicContact CB-CB 4.32Å; L240-V249 WeakPolarHBondContact O-CB 3.07Å; L240-V249 PolarHBondContact O-N 3.05Å; K242-V249 HydrophobicContact CD-CG2 4.42Å; K242-V249 HydrophobicContact CG-CG2 3.51Å; S247-V249 PolarHBondContact O-N 2.86Å
250T96.6Very high96.4Very high38 Ų3858.7 Ų58.723%0.23333%0.328CS..EExtended strand (participates in β ladder)trans-152.7149.7-179.4-1640000110.7N239 L240 R252N239-T250 WeakPolarHBondContact CA-O 3.48Å; L240-T250 HydrophobicContact CB-CG2 3.97Å; L240-T250 HydrophobicContact CD1-CG2 3.75Å; L240-T250 HydrophobicContact CG-CG2 3.86Å; L240-T250 PolarHBondContact N-O 2.94Å; L240-T250 PolarHBondContact O-N 2.83Å; T250-R252 HydrophobicContact CG2-CG 4.36Å; T250-R252 PolarHBondContact OG1-NE 3.04Å
251T97.4Very high96.4Very high59 Ų5962.9 Ų62.936%0.36234%0.344SS..EExtended strand (participates in β ladder)trans-120.7131.1166.5-65.80000108.4K237 N239 L248K237-T251 HydrophobicContact CB-CG2 4.19Å; K237-T251 HydrophobicContact CD-CG2 3.65Å; K237-T251 HydrophobicContact CG-CG2 4.26Å; N239-T251 VanDerWaalsContact OD1-CB 3.26Å; N239-T251 WeakPolarHBondContact OD1-CB 3.47Å; N239-T251 VanDerWaalsContact OD1-CG2 3.23Å; N239-T251 WeakPolarHBondContact OD1-CG2 3.26Å; N239-T251 PolarHBondContact OD1-OG1 2.81Å; L248-T251 WeakPolarHBondContact CD2-OG1 3.37Å
252R97.2Very high96.4Very high54 Ų5462.8 Ų62.820%0.20434%0.344CS..EExtended strand (participates in β ladder)trans-135.6146.6-176.7-72.3165.3177.8-104.55.6110.6K237 F238 T250 G291K237-R252 CarbonylContact C-O 3.58Å; K237-R252 WeakPolarHBondContact CA-O 3.36Å; K237-R252 WeakPolarHBondContact CB-O 3.49Å; F238-R252 HydrophobicContact CD1-CB 4.04Å; F238-R252 HydrophobicContact CD2-CB 4.5Å; F238-R252 HydrophobicContact CE1-CB 3.45Å; F238-R252 VanDerWaalsContact CE1-CB 3.45Å; F238-R252 HydrophobicContact CE2-CB 3.98Å; F238-R252 HydrophobicContact CE2-CG 4.41Å; F238-R252 HydrophobicContact CZ-CB 3.45Å; F238-R252 VanDerWaalsContact CZ-CB 3.45Å; F238-R252 HydrophobicContact CZ-CG 4.05Å; F238-R252 PolarHBondContact N-O 3.41Å; F238-R252 PolarHBondContact O-N 2.74Å; T250-R252 HydrophobicContact CG2-CG 4.36Å; T250-R252 PolarHBondContact OG1-NE 3.04Å; R252-G291 VanDerWaalsContact NH1-C 3.28Å; R252-G291 PolarHBondContact NH1-O 2.91Å
253Q97.4Very high96.5Very high105 Ų10561 Ų6149%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-72.8131.9170.2-68.1175.8-26.200108.8S255 W286Q253-S255 VanDerWaalsContact C-N 3.27Å; Q253-S255 PolarHBondContact O-N 3.43Å; Q253-W286 WeakPolarHBondContact O-CH2 3.18Å
254G96.1Very high96.6Very high0 Ų059.9 Ų59.90%033%0.327CS..SBendtrans-75.8-15.9178.600000114G236 T278 R284G236-G254 PolarHBondContact O-N 3.32Å; G254-T278 WeakPolarHBondContact O-CG2 3.19Å; G254-R284 WeakPolarHBondContact O-CD 3.35Å; G254-R284 PolarHBondContact O-NH1 2.87Å
255S96.8Very high96.7Very high3 Ų355.5 Ų55.52%0.02129%0.29CS..SBendtrans-140.4156.3178.260.90000110.5Q253 S257 G258 D280Q253-S255 VanDerWaalsContact C-N 3.27Å; Q253-S255 PolarHBondContact O-N 3.43Å; S255-S257 PolarHBondContact O-N 2.7Å; S255-S257 VanDerWaalsContact O-N 3.16Å; S255-G258 PolarHBondContact O-N 3.21Å; S255-G258 PolarHBondContact OG-N 2.76Å; S255-D280 WeakPolarHBondContact CB-OD2 3.2Å
256P94.8Very high96.7Very high106 Ų10651.3 Ų51.369%0.68827%0.269SS*.THydrogen-bonded Turntrans-57-29.7-179.8-27.635000115.1
257S93.1Very high96.8Very high52 Ų5250.6 Ų50.636%0.36427%0.266SS..THydrogen-bonded Turntrans-82.1-20.5177.268.80000113.1S255 H259 H260S255-S257 PolarHBondContact O-N 2.7Å; S255-S257 VanDerWaalsContact O-N 3.16Å; S257-H259 PolarHBondContact O-CD2 2.83Å; S257-H259 VanDerWaalsContact O-CD2 3.31Å; S257-H259 PolarHBondContact O-N 2.63Å; S257-H259 VanDerWaalsContact O-N 3.14Å; S257-H259 PolarHBondContact OG-N 3.09Å; S257-H260 PolarHBondContact OG-CD2 2.91Å; S257-H260 PolarHBondContact OG-NE2 3.28Å
258G91.5Very high96.7Very high9 Ų949 Ų499%0.09326%0.255CS..SBendtrans66.14.5-173.500000115.1S255S255-G258 PolarHBondContact O-N 3.21Å; S255-G258 PolarHBondContact OG-N 2.76Å
259H93.9Very high96.4Very high161 Ų16145.4 Ų45.475%0.74524%0.239SC*.  trans-99.6-8.3-175.8-62.7167.4000113.7S257S257-H259 PolarHBondContact O-CD2 2.83Å; S257-H259 VanDerWaalsContact O-CD2 3.31Å; S257-H259 PolarHBondContact O-N 2.63Å; S257-H259 VanDerWaalsContact O-N 3.14Å; S257-H259 PolarHBondContact OG-N 3.09Å
260H97.9Very high96.3Very high66 Ų6644.2 Ų44.231%0.30623%0.23SC..SBendtrans-97.7127.4-177.2-62.7-73000110.8G236 S257 D280G236-H260 WeakPolarHBondContact CA-O 3.18Å; S257-H260 PolarHBondContact OG-CD2 2.91Å; S257-H260 PolarHBondContact OG-NE2 3.28Å; H260-D280 HydrophobicContact CB-CB 4.23Å
261W98.3Very high96.2Very high94 Ų9442.9 Ų42.936%0.35622%0.222SC..  trans-56.9144.5180-60.55.5000111.4Y216 L218 G234 W263 T278 S279Y216-W261 HydrophobicContact CD2-CH2 4.38Å; L218-W261 HydrophobicContact CD1-CB 4.18Å; L218-W261 HydrophobicContact CD1-CD2 4.38Å; L218-W261 HydrophobicContact CD1-CE3 3.7Å; L218-W261 HydrophobicContact CD1-CZ3 4.41Å; G234-W261 PolarHBondContact O-NE1 3.41Å; W261-W263 HydrophobicContact CD2-CZ2 4.3Å; W261-W263 AromaticContact CE3-CE2 3.95Å; W261-W263 AromaticContact CE3-CH2 3.57Å; W261-W263 HydrophobicContact CE3-CH2 3.57Å; W261-W263 AromaticContact CE3-CZ2 3.41Å; W261-W263 HydrophobicContact CE3-CZ2 3.41Å; W261-W263 VanDerWaalsContact CE3-CZ2 3.41Å; W261-W263 HydrophobicContact CE3-CZ3 4.24Å; W261-W263 AromaticContact CZ3-CH2 3.67Å; W261-W263 HydrophobicContact CZ3-CH2 3.67Å; W261-W263 AromaticContact CZ3-CZ2 3.93Å; W261-W263 HydrophobicContact CZ3-CZ2 3.93Å; W261-W263 HydrophobicContact CZ3-CZ3 4.38Å; W261-T278 CarbonylContact O-C 3.55Å; W261-T278 VanDerWaalsContact O-CA 3.28Å; W261-T278 WeakPolarHBondContact O-CA 3.31Å; W261-S279 WeakPolarHBondContact CB-OG 3.43Å; W261-S279 PolarHBondContact N-OG 2.98Å; W261-S279 PolarHBondContact O-N 2.72Å; W261-S279 PolarHBondContact O-OG 3.24Å
262V98.6Very high96.1Very high0 Ų047.3 Ų47.30%023%0.233CC..EExtended strand (participates in β ladder)trans-96.4102.2170.5-175.10000107.9G232 G233 F238 T276 T278G232-V262 CarbonylContact C-O 3.57Å; G233-V262 PolarHBondContact O-N 3.14Å; F238-V262 HydrophobicContact CB-CG1 4.39Å; V262-T276 HydrophobicContact CG1-CG2 4.22Å; V262-T278 HydrophobicContact CG1-CG2 4.43Å; V262-T278 HydrophobicContact CG2-CG2 4.07Å
263W98.7Very high96.1Very high65 Ų6547.2 Ų47.225%0.24623%0.234CC..EExtended strand (participates in β ladder)trans-81-38.9-171.3-73.596000113.4L218 W261 A277 S279 T305L218-W263 HydrophobicContact CD1-CD2 4.01Å; L218-W263 HydrophobicContact CD1-CE3 3.83Å; L218-W263 HydrophobicContact CD1-CG 4.45Å; L218-W263 HydrophobicContact CD1-CZ3 4.23Å; L218-W263 HydrophobicContact CD2-CZ3 4.5Å; W261-W263 HydrophobicContact CD2-CZ2 4.3Å; W261-W263 AromaticContact CE3-CE2 3.95Å; W261-W263 AromaticContact CE3-CH2 3.57Å; W261-W263 HydrophobicContact CE3-CH2 3.57Å; W261-W263 AromaticContact CE3-CZ2 3.41Å; W261-W263 HydrophobicContact CE3-CZ2 3.41Å; W261-W263 VanDerWaalsContact CE3-CZ2 3.41Å; W261-W263 HydrophobicContact CE3-CZ3 4.24Å; W261-W263 AromaticContact CZ3-CH2 3.67Å; W261-W263 HydrophobicContact CZ3-CH2 3.67Å; W261-W263 AromaticContact CZ3-CZ2 3.93Å; W261-W263 HydrophobicContact CZ3-CZ2 3.93Å; W261-W263 HydrophobicContact CZ3-CZ3 4.38Å; W263-A277 PolarHBondContact N-O 2.93Å; W263-S279 PolarHBondContact NE1-OG 2.93Å; W263-T305 WeakPolarHBondContact CB-O 3.38Å; W263-T305 HydrophobicContact CD2-CG2 3.96Å; W263-T305 HydrophobicContact CE3-CG2 4.33Å; W263-T305 HydrophobicContact CG-CG2 4.26Å; W263-T305 HydrophobicContact CZ2-CG2 4.36Å
264D98.4Very high96.1Very high11 Ų1142.2 Ų42.26%0.05921%0.21CC..EExtended strand (participates in β ladder)trans-145.6155.2-171.6-155.8-7.7000110.5K219 T276 A277 M307K219-D264 WeakPolarHBondContact CD-OD1 2.99Å; K219-D264 WeakPolarHBondContact CE-OD1 3.31Å; K219-D264 WeakPolarHBondContact CG-OD1 3.43Å; K219-D264 IonicContact NZ-OD1 3.43Å; K219-D264 PolarHBondContact NZ-OD1 2.78Å; K219-D264 IonicContact NZ-OD2 3.01Å; D264-T276 WeakPolarHBondContact O-CA 3.49Å; D264-A277 HydrophobicContact CB-CB 4.12Å; D264-A277 PolarHBondContact O-N 3.39Å; D264-M307 HydrophobicContact CB-CE 4.19Å; D264-M307 PolarHBondContact OD2-N 2.81Å
265C98.2Very high96.2Very high2 Ų242.3 Ų42.31%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-147.9147.517565.10000112.3Q221 L274 L275 T276Q221-C265 PolarHBondContact OE1-O 3.07Å; C265-L274 HydrophobicContact CB-CD1 4.08Å; C265-L274 HydrophobicContact CB-CD2 4.47Å; C265-L274 HydrophobicContact CB-CG 4.35Å; C265-L275 CarbonylContact C-O 3.51Å; C265-L275 WeakPolarHBondContact CA-O 2.95Å; C265-L275 WeakPolarHBondContact CB-O 3.29Å; C265-T276 HydrophobicContact CB-CG2 4.48Å
266A97.6Very high96.3Very high11 Ų1142.1 Ų42.19%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-140.2122.7179.200000111.4L275 F309A266-L275 HydrophobicContact CB-CB 4.23Å; A266-L275 HydrophobicContact CB-CD1 4.42Å; A266-L275 PolarHBondContact N-O 3.41Å; A266-L275 PolarHBondContact O-N 2.89Å; A266-F309 HydrophobicContact CB-CB 3.8Å; A266-F309 HydrophobicContact CB-CD1 4.12Å; A266-F309 HydrophobicContact CB-CG 4.31Å
267F97.1Very high96.5Very high9 Ų937.1 Ų37.14%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-71.4148.9170.8-78.4-84.1000112.4Q221 P224 L228 A230 L240 F273 L274 L288 F309Q221-F267 HydrophobicContact CB-CD2 4.44Å; Q221-F267 HydrophobicContact CG-CD2 4.5Å; P224-F267 HydrophobicContact CG-CB 4.4Å; L228-F267 HydrophobicContact CB-CE1 4.46Å; L228-F267 HydrophobicContact CB-CZ 4.08Å; L228-F267 HydrophobicContact CD1-CE1 4.42Å; A230-F267 HydrophobicContact CB-CD2 4.33Å; A230-F267 HydrophobicContact CB-CE2 3.38Å; A230-F267 HydrophobicContact CB-CZ 3.59Å; L240-F267 HydrophobicContact CD2-CE1 4.44Å; L240-F267 HydrophobicContact CD2-CZ 4.02Å; F267-F273 WeakPolarHBondContact CA-O 3.48Å; F267-L274 HydrophobicContact CD1-CD1 4.02Å; F267-L274 HydrophobicContact CD2-CD1 3.96Å; F267-L274 HydrophobicContact CE1-CD1 4.12Å; F267-L274 HydrophobicContact CE2-CD1 4.05Å; F267-L274 HydrophobicContact CG-CD1 3.96Å; F267-L274 HydrophobicContact CZ-CD1 4.13Å; F267-L288 HydrophobicContact CD1-CD1 4.03Å; F267-L288 HydrophobicContact CE1-CD1 3.58Å; F267-F309 WeakPolarHBondContact O-CE1 3.33Å
268S95.5Very high96.8Very high10 Ų1034.6 Ų34.67%0.0716%0.16CC..  trans-66156.3159.857.60000111.3P224 D270 S271 R272 F273P224-S268 WeakPolarHBondContact CG-O 3.17Å; S268-D270 VanDerWaalsContact CB-OD1 3.32Å; S268-D270 WeakPolarHBondContact CB-OD1 3.48Å; S268-D270 PolarHBondContact O-N 3.08Å; S268-D270 PolarHBondContact OG-OD1 3.12Å; S268-S271 PolarHBondContact O-N 2.95Å; S268-R272 PolarHBondContact OG-N 3.27Å; S268-F273 PolarHBondContact N-O 2.95Å; S268-F273 PolarHBondContact OG-N 2.78Å; S268-F273 PolarHBondContact OG-O 3.01Å
269A93.2Very high97.1Very high22 Ų2235.5 Ų35.518%0.18217%0.165CC..THydrogen-bonded Turntrans-60.3-30.7-178.900000112.6P224 S271 D311 L314P224-A269 WeakPolarHBondContact CB-O 3.44Å; A269-S271 VanDerWaalsContact C-N 3.28Å; A269-D311 HydrophobicContact CB-CB 3.99Å; A269-D311 VanDerWaalsContact CB-OD2 3.31Å; A269-D311 WeakPolarHBondContact CB-OD2 3.36Å; A269-D311 PolarHBondContact N-OD2 2.74Å; A269-L314 VanDerWaalsContact C-CD1 3.48Å; A269-L314 HydrophobicContact CB-CD1 3.88Å; A269-L314 HydrophobicContact CB-CG 4.22Å; A269-L314 WeakPolarHBondContact O-CD1 3.37Å
270D93Very high97.3Very high51 Ų5130.1 Ų30.127%0.27314%0.141SC..THydrogen-bonded Turntrans-83.93176.268.4-0.1000114S268 R272 L314S268-D270 VanDerWaalsContact CB-OD1 3.32Å; S268-D270 WeakPolarHBondContact CB-OD1 3.48Å; S268-D270 PolarHBondContact O-N 3.08Å; S268-D270 PolarHBondContact OG-OD1 3.12Å; D270-R272 HydrophobicContact CB-CG 4.5Å; D270-R272 PolarHBondContact O-N 3.11Å; D270-R272 VanDerWaalsContact O-N 3.08Å; D270-R272 PolarHBondContact OD1-N 2.75Å; D270-R272 VanDerWaalsContact OD1-N 3.11Å; D270-R272 IonicContact OD2-CZ 3.56Å; D270-R272 IonicContact OD2-NE 3.97Å; D270-R272 PolarHBondContact OD2-NE 2.74Å; D270-R272 IonicContact OD2-NH2 2.91Å; D270-R272 PolarHBondContact OD2-NH2 3.4Å; D270-L314 HydrophobicContact CB-CD1 4.03Å
271S95.3Very high97.3Very high10 Ų1027.1 Ų27.17%0.0713%0.128CC..SBendtrans59.513.2-179.4-490000115.3P224 D225 S268 A269P224-S271 WeakPolarHBondContact CD-OG 3.38Å; D225-S271 PolarHBondContact N-OG 3.38Å; D225-S271 PolarHBondContact OD1-OG 3.08Å; S268-S271 PolarHBondContact O-N 2.95Å; A269-S271 VanDerWaalsContact C-N 3.28Å
272R95.9Very high97.3Very high152 Ų15223.5 Ų23.557%0.57412%0.117SC*.SBendtrans-92-19.3-178.7-65.2-169.1-62.8-174.9-3.1114.3S268 D270 L288S268-R272 PolarHBondContact OG-N 3.27Å; D270-R272 HydrophobicContact CB-CG 4.5Å; D270-R272 PolarHBondContact O-N 3.11Å; D270-R272 VanDerWaalsContact O-N 3.08Å; D270-R272 PolarHBondContact OD1-N 2.75Å; D270-R272 VanDerWaalsContact OD1-N 3.11Å; D270-R272 IonicContact OD2-CZ 3.56Å; D270-R272 IonicContact OD2-NE 3.97Å; D270-R272 PolarHBondContact OD2-NE 2.74Å; D270-R272 IonicContact OD2-NH2 2.91Å; D270-R272 PolarHBondContact OD2-NH2 3.4Å; R272-L288 WeakPolarHBondContact O-CB 3.47Å; R272-L288 WeakPolarHBondContact O-CG 3.33Å; R272-L288 PolarHBondContact O-N 3.19Å
273F96.9Very high97.3Very high52 Ų5223.5 Ų23.523%0.22812%0.117CC..EExtended strand (participates in β ladder)trans-124.2151.9179.2-59.4-91.6000111.4F267 S268 L285 W286 N287 P294F267-F273 WeakPolarHBondContact CA-O 3.48Å; S268-F273 PolarHBondContact N-O 2.95Å; S268-F273 PolarHBondContact OG-N 2.78Å; S268-F273 PolarHBondContact OG-O 3.01Å; F273-L285 HydrophobicContact CB-CD1 3.68Å; F273-L285 HydrophobicContact CB-CG 4.34Å; F273-L285 HydrophobicContact CD1-CD1 4.34Å; F273-L285 HydrophobicContact CD1-CD2 4.3Å; F273-L285 HydrophobicContact CD1-CG 4.09Å; F273-L285 HydrophobicContact CG-CD1 4.28Å; F273-W286 WeakPolarHBondContact CA-O 3.32Å; F273-W286 WeakPolarHBondContact CB-O 3.49Å; F273-W286 WeakPolarHBondContact CD1-O 3.39Å; F273-N287 HydrophobicContact CD1-CB 4.13Å; F273-N287 HydrophobicContact CE1-CB 3.85Å; F273-P294 HydrophobicContact CE1-CG 4.34Å
274L98.2Very high97.3Very high0 Ų020.8 Ų20.80%011%0.106CC..EExtended strand (participates in β ladder)trans-125.4131.3171.6-173.174.6000109.1A230 F238 L240 C265 F267 T276 W286 L288A230-L274 HydrophobicContact CB-CD1 3.72Å; A230-L274 HydrophobicContact CB-CD2 4.09Å; F238-L274 HydrophobicContact CD2-CD2 3.64Å; F238-L274 HydrophobicContact CE2-CD2 3.73Å; F238-L274 HydrophobicContact CG-CD2 4.37Å; L240-L274 HydrophobicContact CD2-CD2 4.2Å; C265-L274 HydrophobicContact CB-CD1 4.08Å; C265-L274 HydrophobicContact CB-CD2 4.47Å; C265-L274 HydrophobicContact CB-CG 4.35Å; F267-L274 HydrophobicContact CD1-CD1 4.02Å; F267-L274 HydrophobicContact CD2-CD1 3.96Å; F267-L274 HydrophobicContact CE1-CD1 4.12Å; F267-L274 HydrophobicContact CE2-CD1 4.05Å; F267-L274 HydrophobicContact CG-CD1 3.96Å; F267-L274 HydrophobicContact CZ-CD1 4.13Å; L274-T276 HydrophobicContact CD2-CG2 4.09Å; L274-T276 HydrophobicContact CG-CG2 4.4Å; L274-W286 HydrophobicContact CB-CB 4.48Å; L274-W286 PolarHBondContact N-O 3.35Å; L274-W286 VanDerWaalsContact O-CD1 3.24Å; L274-W286 PolarHBondContact O-N 3.38Å; L274-L288 HydrophobicContact CB-CD1 4.37Å; L274-L288 HydrophobicContact CB-CD2 3.67Å; L274-L288 HydrophobicContact CB-CG 4.34Å
275L98.4Very high97.3Very high2 Ų221.4 Ų21.41%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-89142.8165.3-72.5163.4000109.4L11 C265 A266 R284 L285 Y297 M307 F309L11-L275 HydrophobicContact CD1-CD1 3.94Å; L11-L275 HydrophobicContact CD2-CD1 4.29Å; L11-L275 HydrophobicContact CD2-CD2 3.99Å; C265-L275 CarbonylContact C-O 3.51Å; C265-L275 WeakPolarHBondContact CA-O 2.95Å; C265-L275 WeakPolarHBondContact CB-O 3.29Å; A266-L275 HydrophobicContact CB-CB 4.23Å; A266-L275 HydrophobicContact CB-CD1 4.42Å; A266-L275 PolarHBondContact N-O 3.41Å; A266-L275 PolarHBondContact O-N 2.89Å; L275-R284 CarbonylContact C-O 3.39Å; L275-R284 VanDerWaalsContact CA-O 3.26Å; L275-R284 WeakPolarHBondContact CA-O 3.49Å; L275-L285 HydrophobicContact CD2-CB 4Å; L275-L285 HydrophobicContact CD2-CD1 3.68Å; L275-L285 HydrophobicContact CD2-CG 4.45Å; L275-L285 HydrophobicContact CG-CD1 3.84Å; L275-Y297 HydrophobicContact CD2-CD2 4.48Å; L275-Y297 HydrophobicContact CD2-CE2 3.47Å; L275-Y297 VanDerWaalsContact CD2-CE2 3.47Å; L275-M307 HydrophobicContact CB-CE 3.98Å; L275-M307 HydrophobicContact CB-SD 4.41Å; L275-F309 HydrophobicContact CD1-CB 3.97Å; L275-F309 HydrophobicContact CD1-CD1 3.91Å; L275-F309 HydrophobicContact CD1-CD2 3.43Å; L275-F309 VanDerWaalsContact CD1-CD2 3.43Å; L275-F309 HydrophobicContact CD1-CE1 4.25Å; L275-F309 HydrophobicContact CD1-CE2 3.81Å; L275-F309 HydrophobicContact CD1-CG 3.47Å; L275-F309 VanDerWaalsContact CD1-CG 3.47Å; L275-F309 HydrophobicContact CD1-CZ 4.19Å
276T98.6Very high97.3Very high0 Ų022.3 Ų22.30%011%0.113CC..EExtended strand (participates in β ladder)trans-132.4136.7171.361.30000110.9F238 V262 D264 C265 L274 A283 R284 W286F238-T276 HydrophobicContact CD1-CG2 4.05Å; F238-T276 HydrophobicContact CE1-CG2 4.32Å; F238-T276 HydrophobicContact CG-CG2 4.31Å; V262-T276 HydrophobicContact CG1-CG2 4.22Å; D264-T276 WeakPolarHBondContact O-CA 3.49Å; C265-T276 HydrophobicContact CB-CG2 4.48Å; L274-T276 HydrophobicContact CD2-CG2 4.09Å; L274-T276 HydrophobicContact CG-CG2 4.4Å; T276-A283 CarbonylContact O-C 3.45Å; T276-A283 WeakPolarHBondContact O-CA 3.17Å; T276-A283 WeakPolarHBondContact O-CB 3.4Å; T276-R284 PolarHBondContact N-O 2.52Å; T276-R284 PolarHBondContact O-N 3.22Å; T276-W286 PolarHBondContact OG1-NE1 3.22Å
277A98.6Very high97.3Very high0 Ų023.3 Ų23.30%012%0.116CC..EExtended strand (participates in β ladder)trans-101.2130.8167.700000110.5W263 D264 I304 M307W263-A277 PolarHBondContact N-O 2.93Å; D264-A277 HydrophobicContact CB-CB 4.12Å; D264-A277 PolarHBondContact O-N 3.39Å; A277-I304 HydrophobicContact CB-CB 3.97Å; A277-I304 HydrophobicContact CB-CG2 3.48Å; A277-I304 VanDerWaalsContact CB-CG2 3.48Å; A277-M307 HydrophobicContact CB-CE 3.97Å; A277-M307 HydrophobicContact CB-CG 3.5Å; A277-M307 HydrophobicContact CB-SD 3.58Å; A277-M307 VanDerWaalsContact CB-SD 3.58Å
278T98.5Very high97.3Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-131.6161.5-173.273.60000113.7G254 W261 V262 D280 G281 V282 R284 I304G254-T278 WeakPolarHBondContact O-CG2 3.19Å; W261-T278 CarbonylContact O-C 3.55Å; W261-T278 VanDerWaalsContact O-CA 3.28Å; W261-T278 WeakPolarHBondContact O-CA 3.31Å; V262-T278 HydrophobicContact CG1-CG2 4.43Å; V262-T278 HydrophobicContact CG2-CG2 4.07Å; T278-D280 PolarHBondContact O-N 3.21Å; T278-D280 VanDerWaalsContact OG1-CG 3.26Å; T278-D280 PolarHBondContact OG1-OD1 2.89Å; T278-G281 PolarHBondContact O-N 2.83Å; T278-V282 PolarHBondContact N-O 2.89Å; T278-V282 PolarHBondContact OG1-O 3.2Å; T278-R284 PolarHBondContact OG1-NH1 3.43Å; T278-R284 VanDerWaalsContact OG1-NH1 3.13Å; T278-I304 PolarHBondContact O-N 3.17Å
279S98.3Very high97.3Very high28 Ų2832 Ų3220%0.19616%0.157CC..THydrogen-bonded Turntrans-71.3-8.2-174.5-52.50000115.1W261 W263 G281 A303W261-S279 WeakPolarHBondContact CB-OG 3.43Å; W261-S279 PolarHBondContact N-OG 2.98Å; W261-S279 PolarHBondContact O-N 2.72Å; W261-S279 PolarHBondContact O-OG 3.24Å; W263-S279 PolarHBondContact NE1-OG 2.93Å; S279-G281 PolarHBondContact O-N 3.23Å; S279-A303 VanDerWaalsContact CA-CB 3.46Å; S279-A303 WeakPolarHBondContact O-CA 3.43Å; S279-A303 WeakPolarHBondContact O-CB 3.31Å
280D98Very high97.4Very high47 Ų4734.6 Ų34.625%0.25117%0.17SC..THydrogen-bonded Turntrans-78.4-0.7175.367.93.2000113.2S255 H260 T278 V282 R284S255-D280 WeakPolarHBondContact CB-OD2 3.2Å; H260-D280 HydrophobicContact CB-CB 4.23Å; T278-D280 PolarHBondContact O-N 3.21Å; T278-D280 VanDerWaalsContact OG1-CG 3.26Å; T278-D280 PolarHBondContact OG1-OD1 2.89Å; D280-V282 WeakPolarHBondContact OD1-CA 3.42Å; D280-V282 VanDerWaalsContact OD1-CB 3.3Å; D280-V282 WeakPolarHBondContact OD1-CB 3.39Å; D280-V282 PolarHBondContact OD1-N 3.29Å; D280-R284 IonicContact OD1-NH1 3.43Å; D280-R284 IonicContact OD2-CZ 4Å; D280-R284 VanDerWaalsContact OD2-CZ 3.23Å; D280-R284 IonicContact OD2-NH1 3.05Å; D280-R284 PolarHBondContact OD2-NH1 2.94Å; D280-R284 IonicContact OD2-NH2 3.68Å; D280-R284 PolarHBondContact OD2-NH2 3.04Å
281G97.8Very high97.4Very high3 Ų332.9 Ų32.93%0.03117%0.165CC..SBendtrans83.712.9-178.100000114.1T278 S279 R302T278-G281 PolarHBondContact O-N 2.83Å; S279-G281 PolarHBondContact O-N 3.23Å; G281-R302 VanDerWaalsContact CA-O 3.28Å; G281-R302 WeakPolarHBondContact CA-O 3.28Å
282V98.5Very high97.5Very high19 Ų1938.6 Ų38.612%0.11519%0.191CC..EExtended strand (participates in β ladder)trans-122.5129.9-179.5-173.20000109.6T278 D280 R284 E296 K298T278-V282 PolarHBondContact N-O 2.89Å; T278-V282 PolarHBondContact OG1-O 3.2Å; D280-V282 WeakPolarHBondContact OD1-CA 3.42Å; D280-V282 VanDerWaalsContact OD1-CB 3.3Å; D280-V282 WeakPolarHBondContact OD1-CB 3.39Å; D280-V282 PolarHBondContact OD1-N 3.29Å; V282-R284 HydrophobicContact CG1-CG 4.17Å; V282-E296 HydrophobicContact CG1-CB 3.98Å; V282-E296 HydrophobicContact CG1-CG 4.5Å; V282-K298 HydrophobicContact CG1-CG 4.07Å; V282-K298 HydrophobicContact CG2-CG 4.18Å
283A98.6Very high97.6Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-92.2150.3163.300000109.1T13 T276 Y297 I304 M307T13-A283 HydrophobicContact CG2-CB 4.03Å; T276-A283 CarbonylContact O-C 3.45Å; T276-A283 WeakPolarHBondContact O-CA 3.17Å; T276-A283 WeakPolarHBondContact O-CB 3.4Å; A283-Y297 HydrophobicContact CB-CD2 3.88Å; A283-Y297 HydrophobicContact CB-CG 4.4Å; A283-Y297 PolarHBondContact N-O 2.93Å; A283-Y297 WeakPolarHBondContact O-CD2 3.25Å; A283-Y297 PolarHBondContact O-N 2.76Å; A283-I304 HydrophobicContact CB-CD1 4.01Å; A283-M307 HydrophobicContact CB-SD 4.04Å
284R98.5Very high97.6Very high8 Ų834.8 Ų34.83%0.0319%0.19CC..EExtended strand (participates in β ladder)trans-134139.5-175.5-64.6-175176.279.29110.8G254 L275 T276 T278 D280 V282 W286 V293 E296G254-R284 WeakPolarHBondContact O-CD 3.35Å; G254-R284 PolarHBondContact O-NH1 2.87Å; L275-R284 CarbonylContact C-O 3.39Å; L275-R284 VanDerWaalsContact CA-O 3.26Å; L275-R284 WeakPolarHBondContact CA-O 3.49Å; T276-R284 PolarHBondContact N-O 2.52Å; T276-R284 PolarHBondContact O-N 3.22Å; T278-R284 PolarHBondContact OG1-NH1 3.43Å; T278-R284 VanDerWaalsContact OG1-NH1 3.13Å; D280-R284 IonicContact OD1-NH1 3.43Å; D280-R284 IonicContact OD2-CZ 4Å; D280-R284 VanDerWaalsContact OD2-CZ 3.23Å; D280-R284 IonicContact OD2-NH1 3.05Å; D280-R284 PolarHBondContact OD2-NH1 2.94Å; D280-R284 IonicContact OD2-NH2 3.68Å; D280-R284 PolarHBondContact OD2-NH2 3.04Å; V282-R284 HydrophobicContact CG1-CG 4.17Å; R284-W286 HydrophobicContact CB-CZ2 4.22Å; R284-V293 HydrophobicContact CB-CG1 3.92Å; R284-V293 HydrophobicContact CG-CG1 4.15Å; R284-E296 HydrophobicContact CG-CG 4.28Å; R284-E296 IonicContact CZ-OE1 2.83Å; R284-E296 IonicContact NE-OE1 2.61Å; R284-E296 PolarHBondContact NE-OE1 3.3Å; R284-E296 IonicContact NH2-OE1 3.02Å
285L98.2Very high97.6Very high23 Ų2335.6 Ų35.612%0.1219%0.194CC..EExtended strand (participates in β ladder)trans-98.6121.1168.2-176.168.5000108.4F273 L275 V293 P294 V295 Y297F273-L285 HydrophobicContact CB-CD1 3.68Å; F273-L285 HydrophobicContact CB-CG 4.34Å; F273-L285 HydrophobicContact CD1-CD1 4.34Å; F273-L285 HydrophobicContact CD1-CD2 4.3Å; F273-L285 HydrophobicContact CD1-CG 4.09Å; F273-L285 HydrophobicContact CG-CD1 4.28Å; L275-L285 HydrophobicContact CD2-CB 4Å; L275-L285 HydrophobicContact CD2-CD1 3.68Å; L275-L285 HydrophobicContact CD2-CG 4.45Å; L275-L285 HydrophobicContact CG-CD1 3.84Å; L285-V293 WeakPolarHBondContact O-CA 3.25Å; L285-P294 HydrophobicContact CD2-CG 4.27Å; L285-P294 HydrophobicContact CG-CG 4.39Å; L285-P294 WeakPolarHBondContact O-CD 3.29Å; L285-V295 HydrophobicContact CB-CB 3.99Å; L285-V295 HydrophobicContact CD2-CB 4.33Å; L285-V295 HydrophobicContact CD2-CG2 4.06Å; L285-V295 PolarHBondContact N-O 3.19Å; L285-Y297 HydrophobicContact CB-CE2 4.19Å
286W98.1Very high97.6Very high22 Ų2238.7 Ų38.78%0.08321%0.209CC..EExtended strand (participates in β ladder)trans-105129.1-179.4-57.284.3000109.6F238 Q253 F273 L274 T276 R284 L288 V293F238-W286 AromaticContact CE1-CD2 3.76Å; F238-W286 HydrophobicContact CE1-CD2 3.76Å; F238-W286 AromaticContact CE1-CE2 3.5Å; F238-W286 HydrophobicContact CE1-CE3 4.12Å; F238-W286 HydrophobicContact CE1-CG 4.31Å; F238-W286 HydrophobicContact CE1-CH2 4.07Å; F238-W286 AromaticContact CE1-CZ2 3.69Å; F238-W286 HydrophobicContact CE1-CZ2 3.69Å; F238-W286 HydrophobicContact CE1-CZ3 4.26Å; F238-W286 AromaticContact CE1-NE1 3.85Å; F238-W286 AromaticContact CZ-CD2 3.61Å; F238-W286 HydrophobicContact CZ-CD2 3.61Å; F238-W286 AromaticContact CZ-CE2 3.87Å; F238-W286 AromaticContact CZ-CE3 3.9Å; F238-W286 HydrophobicContact CZ-CE3 3.9Å; F238-W286 AromaticContact CZ-CG 3.88Å; F238-W286 HydrophobicContact CZ-CG 3.88Å; F238-W286 HydrophobicContact CZ-CZ2 4.4Å; F238-W286 HydrophobicContact CZ-CZ3 4.41Å; Q253-W286 WeakPolarHBondContact O-CH2 3.18Å; F273-W286 WeakPolarHBondContact CA-O 3.32Å; F273-W286 WeakPolarHBondContact CB-O 3.49Å; F273-W286 WeakPolarHBondContact CD1-O 3.39Å; L274-W286 HydrophobicContact CB-CB 4.48Å; L274-W286 PolarHBondContact N-O 3.35Å; L274-W286 VanDerWaalsContact O-CD1 3.24Å; L274-W286 PolarHBondContact O-N 3.38Å; T276-W286 PolarHBondContact OG1-NE1 3.22Å; R284-W286 HydrophobicContact CB-CZ2 4.22Å; W286-L288 HydrophobicContact CB-CD2 4.38Å; W286-V293 HydrophobicContact CD2-CG2 3.82Å; W286-V293 HydrophobicContact CE3-CG2 3.4Å; W286-V293 HydrophobicContact CH2-CG2 3.74Å; W286-V293 HydrophobicContact CZ2-CG2 4.13Å; W286-V293 HydrophobicContact CZ3-CG2 3.36Å
287N97.6Very high97.5Very high31 Ų3138.7 Ų38.717%0.16621%0.209CC..EExtended strand (participates in β ladder)trans-78121.1163.6-177.6-40.6000108.3F273 E289 T290 G291 E292F273-N287 HydrophobicContact CD1-CB 4.13Å; F273-N287 HydrophobicContact CE1-CB 3.85Å; N287-E289 VanDerWaalsContact C-N 3.35Å; N287-E289 WeakPolarHBondContact OD1-CB 3.48Å; N287-E289 PolarHBondContact OD1-N 3.24Å; N287-T290 WeakPolarHBondContact CB-OG1 3.4Å; N287-T290 VanDerWaalsContact CG-OG1 3.32Å; N287-T290 PolarHBondContact OD1-N 3.15Å; N287-T290 VanDerWaalsContact OD1-N 3.08Å; N287-G291 WeakPolarHBondContact O-CA 3.46Å; N287-G291 PolarHBondContact O-N 3.31Å; N287-E292 PolarHBondContact N-O 2.83Å
288L96.7Very high97.5Very high31 Ų3144.9 Ų44.916%0.16224%0.236CC..THydrogen-bonded Turntrans-77.1-22.4-173.2-60.9-173.3000113.8L228 L240 F267 R272 L274 W286L228-L288 HydrophobicContact CD1-CD1 4.48Å; L240-L288 HydrophobicContact CD1-CD1 4.12Å; L240-L288 HydrophobicContact CD1-CD2 3.72Å; L240-L288 HydrophobicContact CD1-CG 4.34Å; F267-L288 HydrophobicContact CD1-CD1 4.03Å; F267-L288 HydrophobicContact CE1-CD1 3.58Å; R272-L288 WeakPolarHBondContact O-CB 3.47Å; R272-L288 WeakPolarHBondContact O-CG 3.33Å; R272-L288 PolarHBondContact O-N 3.19Å; L274-L288 HydrophobicContact CB-CD1 4.37Å; L274-L288 HydrophobicContact CB-CD2 3.67Å; L274-L288 HydrophobicContact CB-CG 4.34Å; W286-L288 HydrophobicContact CB-CD2 4.38Å
289E95.5Very high97.4Very high172 Ų17245.8 Ų45.880%0.80425%0.245SC*.THydrogen-bonded Turntrans-81.6-55.6177.7-177178.8-171.300111.1N287N287-E289 VanDerWaalsContact C-N 3.35Å; N287-E289 WeakPolarHBondContact OD1-CB 3.48Å; N287-E289 PolarHBondContact OD1-N 3.24Å
290T96.2Very high97.3Very high75 Ų7545.1 Ų45.146%0.4624%0.239SC..THydrogen-bonded Turntrans-80.9-28.3-177.469.10000112.2N287 E292N287-T290 WeakPolarHBondContact CB-OG1 3.4Å; N287-T290 VanDerWaalsContact CG-OG1 3.32Å; N287-T290 PolarHBondContact OD1-N 3.15Å; N287-T290 VanDerWaalsContact OD1-N 3.08Å; T290-E292 VanDerWaalsContact C-N 3.3Å; T290-E292 WeakPolarHBondContact OG1-CB 3.14Å; T290-E292 WeakPolarHBondContact OG1-CG 3.05Å; T290-E292 PolarHBondContact OG1-N 2.83Å; T290-E292 PolarHBondContact OG1-OE2 2.83Å
291G94.1Very high97.3Very high16 Ų1650.4 Ų50.417%0.16526%0.262CS..  trans80.55-173.700000116.8R252 N287R252-G291 VanDerWaalsContact NH1-C 3.28Å; R252-G291 PolarHBondContact NH1-O 2.91Å; N287-G291 WeakPolarHBondContact O-CA 3.46Å; N287-G291 PolarHBondContact O-N 3.31Å
292E96.9Very high97.2Very high130 Ų13057 Ų5761%0.60729%0.286SS*.  trans-76.1160.3179.2-64173.7155.100111.3N287 T290 P294N287-E292 PolarHBondContact N-O 2.83Å; T290-E292 VanDerWaalsContact C-N 3.3Å; T290-E292 WeakPolarHBondContact OG1-CB 3.14Å; T290-E292 WeakPolarHBondContact OG1-CG 3.05Å; T290-E292 PolarHBondContact OG1-N 2.83Å; T290-E292 PolarHBondContact OG1-OE2 2.83Å; E292-P294 VanDerWaalsContact C-CD 3.44Å; E292-P294 WeakPolarHBondContact O-CD 3.4Å
293V97.5Very high97.2Very high48 Ų4856.8 Ų56.829%0.29129%0.286SS..  trans-10785.7172.5-177.40000108.2R284 L285 W286 V295 E296R284-V293 HydrophobicContact CB-CG1 3.92Å; R284-V293 HydrophobicContact CG-CG1 4.15Å; L285-V293 WeakPolarHBondContact O-CA 3.25Å; W286-V293 HydrophobicContact CD2-CG2 3.82Å; W286-V293 HydrophobicContact CE3-CG2 3.4Å; W286-V293 HydrophobicContact CH2-CG2 3.74Å; W286-V293 HydrophobicContact CZ2-CG2 4.13Å; W286-V293 HydrophobicContact CZ3-CG2 3.36Å; V293-V295 WeakPolarHBondContact CG1-O 3.28Å; V293-V295 PolarHBondContact O-N 2.77Å; V293-E296 HydrophobicContact CG1-CG 3.84Å
294P97.2Very high97.2Very high76 Ų7656.8 Ų56.849%0.49429%0.286SS..  trans-63.9-26.8-179.623-36.6000113.9F273 L285 E292F273-P294 HydrophobicContact CE1-CG 4.34Å; L285-P294 HydrophobicContact CD2-CG 4.27Å; L285-P294 HydrophobicContact CG-CG 4.39Å; L285-P294 WeakPolarHBondContact O-CD 3.29Å; E292-P294 VanDerWaalsContact C-CD 3.44Å; E292-P294 WeakPolarHBondContact O-CD 3.4Å
295V97.4Very high97.2Very high16 Ų1657.1 Ų57.110%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-138.5131.1-176.1-173.40000111G28 L285 V293 Y297G28-V295 VanDerWaalsContact CA-CG1 3.4Å; L285-V295 HydrophobicContact CB-CB 3.99Å; L285-V295 HydrophobicContact CD2-CB 4.33Å; L285-V295 HydrophobicContact CD2-CG2 4.06Å; L285-V295 PolarHBondContact N-O 3.19Å; V293-V295 WeakPolarHBondContact CG1-O 3.28Å; V293-V295 PolarHBondContact O-N 2.77Å; V295-Y297 HydrophobicContact CB-CE2 4.5Å; V295-Y297 HydrophobicContact CG1-CD1 4.23Å; V295-Y297 HydrophobicContact CG1-CD2 4.48Å; V295-Y297 HydrophobicContact CG1-CE1 3.81Å; V295-Y297 HydrophobicContact CG1-CE2 4.06Å
296E98.1Very high97.2Very high68 Ų6856.2 Ų56.232%0.31829%0.285SS..EExtended strand (participates in β ladder)trans-116.2125.8167.7-63.3-164.4125.700109.9V282 R284 V293 K298V282-E296 HydrophobicContact CG1-CB 3.98Å; V282-E296 HydrophobicContact CG1-CG 4.5Å; R284-E296 HydrophobicContact CG-CG 4.28Å; R284-E296 IonicContact CZ-OE1 2.83Å; R284-E296 IonicContact NE-OE1 2.61Å; R284-E296 PolarHBondContact NE-OE1 3.3Å; R284-E296 IonicContact NH2-OE1 3.02Å; V293-E296 HydrophobicContact CG1-CG 3.84Å; E296-K298 HydrophobicContact CB-CG 4.33Å; E296-K298 PolarHBondContact O-N 3.09Å; E296-K298 WeakPolarHBondContact OE2-CE 3.36Å; E296-K298 IonicContact OE2-NZ 2.81Å; E296-K298 PolarHBondContact OE2-NZ 3.29Å
297Y98.2Very high97.2Very high0 Ų055.7 Ų55.70%028%0.283CS..EExtended strand (participates in β ladder)trans-94.193.1179.3-50.9-89.5000109.4L11 W23 P25 L275 A283 L285 V295L11-Y297 HydrophobicContact CD2-CD1 3.9Å; L11-Y297 HydrophobicContact CD2-CD2 3.97Å; L11-Y297 HydrophobicContact CD2-CE1 3.56Å; L11-Y297 HydrophobicContact CD2-CE2 3.68Å; L11-Y297 HydrophobicContact CD2-CG 4.08Å; L11-Y297 VanDerWaalsContact CD2-CZ 3.43Å; W23-Y297 HydrophobicContact CB-CD1 3.57Å; W23-Y297 HydrophobicContact CB-CE1 3.87Å; W23-Y297 AromaticContact CD2-CD1 3.96Å; W23-Y297 HydrophobicContact CD2-CD1 3.96Å; W23-Y297 HydrophobicContact CD2-CG 4.41Å; W23-Y297 HydrophobicContact CE3-CD1 4.26Å; W23-Y297 AromaticContact CG-CD1 3.66Å; W23-Y297 HydrophobicContact CG-CD1 3.66Å; W23-Y297 HydrophobicContact CG-CE1 4.4Å; W23-Y297 HydrophobicContact CG-CG 4.31Å; P25-Y297 VanDerWaalsContact CA-OH 3.31Å; P25-Y297 WeakPolarHBondContact CA-OH 3.26Å; P25-Y297 PolarHBondContact O-OH 3.37Å; L275-Y297 HydrophobicContact CD2-CD2 4.48Å; L275-Y297 HydrophobicContact CD2-CE2 3.47Å; L275-Y297 VanDerWaalsContact CD2-CE2 3.47Å; A283-Y297 HydrophobicContact CB-CD2 3.88Å; A283-Y297 HydrophobicContact CB-CG 4.4Å; A283-Y297 PolarHBondContact N-O 2.93Å; A283-Y297 WeakPolarHBondContact O-CD2 3.25Å; A283-Y297 PolarHBondContact O-N 2.76Å; L285-Y297 HydrophobicContact CB-CE2 4.19Å; V295-Y297 HydrophobicContact CB-CE2 4.5Å; V295-Y297 HydrophobicContact CG1-CD1 4.23Å; V295-Y297 HydrophobicContact CG1-CD2 4.48Å; V295-Y297 HydrophobicContact CG1-CE1 3.81Å; V295-Y297 HydrophobicContact CG1-CE2 4.06Å
298K97.4Very high97.2Very high130 Ų13054.3 Ų54.357%0.56528%0.276SS*.EExtended strand (participates in β ladder)trans-100133.9-174.9-64.9-179.9-179.9168.40111.6W23 V282 E296W23-K298 WeakPolarHBondContact CH2-O 3.24Å; V282-K298 HydrophobicContact CG1-CG 4.07Å; V282-K298 HydrophobicContact CG2-CG 4.18Å; E296-K298 HydrophobicContact CB-CG 4.33Å; E296-K298 PolarHBondContact O-N 3.09Å; E296-K298 WeakPolarHBondContact OE2-CE 3.36Å; E296-K298 IonicContact OE2-NZ 2.81Å; E296-K298 PolarHBondContact OE2-NZ 3.29Å
299G95.8Very high97.1Very high19 Ų1955 Ų5520%0.19628%0.278CS..  trans162.2-22.9169.700000114.9R21 Q301R21-G299 VanDerWaalsContact CZ-C 3.43Å; R21-G299 PolarHBondContact NE-O 3.5Å; R21-G299 PolarHBondContact NH2-O 3.4Å; G299-Q301 PolarHBondContact O-NE2 2.99Å
300H97.6Very high97Very high13 Ų1348.9 Ų48.96%0.0625%0.247CC..  trans-64.2142.6172.9-77.1-77.4000110.8T13 D17 T19 I304T13-H300 PolarHBondContact O-NE2 3.48Å; T13-H300 PolarHBondContact OG1-CD2 2.92Å; T13-H300 PolarHBondContact OG1-NE2 3.32Å; D17-H300 VanDerWaalsContact CG-ND1 3.26Å; D17-H300 IonicContact OD1-CE1 3.66Å; D17-H300 IonicContact OD1-ND1 3.25Å; D17-H300 PolarHBondContact OD1-ND1 2.91Å; D17-H300 WeakPolarHBondContact OD2-CA 3.39Å; D17-H300 WeakPolarHBondContact OD2-CB 3.28Å; D17-H300 IonicContact OD2-CE1 3.77Å; D17-H300 IonicContact OD2-CG 3.74Å; D17-H300 IonicContact OD2-ND1 3.54Å; D17-H300 PolarHBondContact OD2-ND1 2.85Å; T19-H300 PolarHBondContact OG1-CE1 3.37Å; T19-H300 PolarHBondContact OG1-ND1 3.18Å; H300-I304 HydrophobicContact CB-CD1 4.44Å; H300-I304 HydrophobicContact CB-CG1 4.06Å
301Q96.5Very high96.6Very high159 Ų15946.8 Ų46.874%0.74323%0.233SC*.SBendtrans-94.3-8.2-178.9-60.6-59.4-47.800112.5D17 G299D17-Q301 HydrophobicContact CB-CB 4.29Å; D17-Q301 PolarHBondContact OD2-N 3.32Å; G299-Q301 PolarHBondContact O-NE2 2.99Å
302R97.3Very high95.6Very high142 Ų14248.4 Ų48.454%0.53624%0.236SC..SBendtrans-144175.6179.5-56.6-176.571.1-169.89.4109.1F16 D17 G281F16-R302 HydrophobicContact CB-CB 4.03Å; F16-R302 WeakPolarHBondContact O-CD 3.31Å; F16-R302 PolarHBondContact O-NH1 3.36Å; D17-R302 HydrophobicContact CB-CB 3.99Å; D17-R302 HydrophobicContact CB-CG 4.04Å; G281-R302 VanDerWaalsContact CA-O 3.28Å; G281-R302 WeakPolarHBondContact CA-O 3.28Å
303A97.8Very high93.8Very high13 Ų1343.7 Ų43.711%0.10722%0.218CC..  trans-51.6139.1-178.800000113.2G15 F16 S279G15-A303 WeakPolarHBondContact CA-O 3.35Å; F16-A303 HydrophobicContact CD2-CB 3.88Å; F16-A303 HydrophobicContact CE2-CB 4.29Å; F16-A303 PolarHBondContact N-O 3.28Å; F16-A303 VanDerWaalsContact N-O 3.16Å; S279-A303 VanDerWaalsContact CA-CB 3.46Å; S279-A303 WeakPolarHBondContact O-CA 3.43Å; S279-A303 WeakPolarHBondContact O-CB 3.31Å
304I98.5Very high91.8Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-90.1122.9169.6-53.9175.9000107.3T13 G14 A277 T278 A283 H300T13-I304 HydrophobicContact CG2-CG2 4.46Å; G14-I304 WeakPolarHBondContact O-CG2 3.11Å; A277-I304 HydrophobicContact CB-CB 3.97Å; A277-I304 HydrophobicContact CB-CG2 3.48Å; A277-I304 VanDerWaalsContact CB-CG2 3.48Å; T278-I304 PolarHBondContact O-N 3.17Å; A283-I304 HydrophobicContact CB-CD1 4.01Å; H300-I304 HydrophobicContact CB-CD1 4.44Å; H300-I304 HydrophobicContact CB-CG1 4.06Å
305T98Very high89.5Confident16 Ų1649 Ų4910%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-108.4-17.6-175.748.10000113.2G14 G15 F16 V41 W263G14-T305 PolarHBondContact O-N 3.29Å; G15-T305 WeakPolarHBondContact CA-OG1 3.12Å; F16-T305 HydrophobicContact CD2-CG2 4.1Å; F16-T305 HydrophobicContact CE1-CG2 4.29Å; F16-T305 HydrophobicContact CE2-CG2 3.54Å; F16-T305 HydrophobicContact CZ-CG2 3.64Å; V41-T305 PolarHBondContact O-OG1 2.62Å; W263-T305 WeakPolarHBondContact CB-O 3.38Å; W263-T305 HydrophobicContact CD2-CG2 3.96Å; W263-T305 HydrophobicContact CE3-CG2 4.33Å; W263-T305 HydrophobicContact CG-CG2 4.26Å; W263-T305 HydrophobicContact CZ2-CG2 4.36Å
306C98.3Very high86.3Confident4 Ų453.3 Ų53.33%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-149.6156.2178.960.50000112.2G14 V41 N42G14-C306 PolarHBondContact N-O 3.24Å; G14-C306 VanDerWaalsContact N-O 3.09Å; G14-C306 PolarHBondContact O-N 2.94Å; V41-C306 PolarHBondContact O-SG 2.88Å; V41-C306 VanDerWaalsContact O-SG 3.36Å; N42-C306 WeakPolarHBondContact O-CB 3.15Å
307M98.2Very high83Confident11 Ų1162 Ų625%0.05431%0.308CS..EExtended strand (participates in β ladder)trans-135.5150.6172.3-55.7-174.5-6600110.6L11 A12 T13 D264 L275 A277 A283L11-M307 HydrophobicContact CD1-CB 4.31Å; L11-M307 HydrophobicContact CD1-SD 4.44Å; A12-M307 CarbonylContact O-C 3.59Å; A12-M307 VanDerWaalsContact O-CA 3.25Å; A12-M307 WeakPolarHBondContact O-CA 3.38Å; T13-M307 HydrophobicContact CG2-CG 4.08Å; T13-M307 HydrophobicContact CG2-SD 4.39Å; D264-M307 HydrophobicContact CB-CE 4.19Å; D264-M307 PolarHBondContact OD2-N 2.81Å; L275-M307 HydrophobicContact CB-CE 3.98Å; L275-M307 HydrophobicContact CB-SD 4.41Å; A277-M307 HydrophobicContact CB-CE 3.97Å; A277-M307 HydrophobicContact CB-CG 3.5Å; A277-M307 HydrophobicContact CB-SD 3.58Å; A277-M307 VanDerWaalsContact CB-SD 3.58Å; A283-M307 HydrophobicContact CB-SD 4.04Å
308A97.5Very high82.2Confident1 Ų165.1 Ų65.11%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-116.5128.9160.600000108.1L11 A12 L44 F46 L53L11-A308 WeakPolarHBondContact CA-O 3.12Å; L11-A308 WeakPolarHBondContact CD1-O 3.42Å; A12-A308 HydrophobicContact CB-CB 4.44Å; A12-A308 PolarHBondContact N-O 2.95Å; A12-A308 PolarHBondContact O-N 3.17Å; L44-A308 HydrophobicContact CB-CB 3.82Å; F46-A308 HydrophobicContact CD2-CB 3.56Å; F46-A308 HydrophobicContact CE2-CB 3.8Å; F46-A308 WeakPolarHBondContact CE2-O 3.21Å; F46-A308 HydrophobicContact CG-CB 4.35Å; L53-A308 HydrophobicContact CD1-CB 3.93Å
309F95.9Very high81.4Confident45 Ų4561.6 Ų61.620%0.19731%0.311CS..EExtended strand (participates in β ladder)trans-130126.6178.3179.1-116.8000109.9L9 S10 L11 P25 A266 F267 L275 D311L9-F309 HydrophobicContact CD2-CZ 4.26Å; S10-F309 WeakPolarHBondContact O-CA 3.36Å; S10-F309 WeakPolarHBondContact O-CD2 3.46Å; L11-F309 HydrophobicContact CB-CD2 4.24Å; L11-F309 HydrophobicContact CD1-CB 4.21Å; L11-F309 HydrophobicContact CD1-CD2 4.33Å; P25-F309 HydrophobicContact CB-CE2 3.93Å; P25-F309 HydrophobicContact CG-CD2 4.43Å; P25-F309 HydrophobicContact CG-CE2 3.92Å; A266-F309 HydrophobicContact CB-CB 3.8Å; A266-F309 HydrophobicContact CB-CD1 4.12Å; A266-F309 HydrophobicContact CB-CG 4.31Å; F267-F309 WeakPolarHBondContact O-CE1 3.33Å; L275-F309 HydrophobicContact CD1-CB 3.97Å; L275-F309 HydrophobicContact CD1-CD1 3.91Å; L275-F309 HydrophobicContact CD1-CD2 3.43Å; L275-F309 VanDerWaalsContact CD1-CD2 3.43Å; L275-F309 HydrophobicContact CD1-CE1 4.25Å; L275-F309 HydrophobicContact CD1-CE2 3.81Å; L275-F309 HydrophobicContact CD1-CG 3.47Å; L275-F309 VanDerWaalsContact CD1-CG 3.47Å; L275-F309 HydrophobicContact CD1-CZ 4.19Å; F309-D311 HydrophobicContact CD1-CB 4.39Å; F309-D311 HydrophobicContact CE1-CB 3.53Å; F309-D311 HydrophobicContact CZ-CB 3.63Å
310R92.1Very high80.6Confident45 Ų4564 Ų6417%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-116.7118.8177-178.5179.2176.7-127.48.5108.6L9 S10 F46 R48 D49 H312L9-R310 WeakPolarHBondContact CA-O 3.35Å; S10-R310 PolarHBondContact N-O 3.16Å; S10-R310 PolarHBondContact O-N 3.44Å; F46-R310 HydrophobicContact CB-CB 4.5Å; F46-R310 HydrophobicContact CD2-CB 4.13Å; R48-R310 VanDerWaalsContact O-CZ 3.29Å; R48-R310 PolarHBondContact O-NE 2.67Å; R48-R310 PolarHBondContact O-NH2 3.32Å; D49-R310 VanDerWaalsContact O-CZ 3.27Å; D49-R310 PolarHBondContact O-NH1 3.42Å; D49-R310 PolarHBondContact O-NH2 2.66Å; R310-H312 PolarHBondContact NE-CD2 2.99Å; R310-H312 PolarHBondContact NE-NE2 3.19Å; R310-H312 PolarHBondContact NH2-CD2 3.2Å
311D87.7Confident79.6Confident30 Ų3067 Ų6716%0.1633%0.332CS..EExtended strand (participates in β ladder)trans-129.7107.1172-173.2-8000109.8L9 A269 F309 S313L9-D311 HydrophobicContact CD2-CB 3.72Å; L9-D311 VanDerWaalsContact CD2-OD1 3.29Å; L9-D311 WeakPolarHBondContact CD2-OD1 3.21Å; A269-D311 HydrophobicContact CB-CB 3.99Å; A269-D311 VanDerWaalsContact CB-OD2 3.31Å; A269-D311 WeakPolarHBondContact CB-OD2 3.36Å; A269-D311 PolarHBondContact N-OD2 2.74Å; F309-D311 HydrophobicContact CD1-CB 4.39Å; F309-D311 HydrophobicContact CE1-CB 3.53Å; F309-D311 HydrophobicContact CZ-CB 3.63Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 2.84Å; D311-S313 PolarHBondContact OD1-OG 2.86Å
312H73Confident78.6Confident50 Ų5061.3 Ų61.323%0.23131%0.306CS..  trans-111.218.3173.6-70-29.8000112.8R48 R310 L314 K315R48-H312 PolarHBondContact O-NE2 2.62Å; R48-H312 VanDerWaalsContact O-NE2 3.15Å; R310-H312 PolarHBondContact NE-CD2 2.99Å; R310-H312 PolarHBondContact NE-NE2 3.19Å; R310-H312 PolarHBondContact NH2-CD2 3.2Å; H312-L314 PolarHBondContact O-N 2.83Å; H312-K315 PolarHBondContact O-N 3.35Å
313S60.2Low77.3Confident32 Ų3255.9 Ų55.922%0.22429%0.291CS..THydrogen-bonded Turntrans-58.7-18.2-177.360.50000114.1D311D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 2.84Å; D311-S313 PolarHBondContact OD1-OG 2.86Å
314L55.2Low75.9Confident107 Ų10758.9 Ų58.956%0.5630%0.304SS*.THydrogen-bonded Turntrans-108.90.2-177.5-64.9175.3000115.9A269 D270 H312 S316A269-L314 VanDerWaalsContact C-CD1 3.48Å; A269-L314 HydrophobicContact CB-CD1 3.88Å; A269-L314 HydrophobicContact CB-CG 4.22Å; A269-L314 WeakPolarHBondContact O-CD1 3.37Å; D270-L314 HydrophobicContact CB-CD1 4.03Å; H312-L314 PolarHBondContact O-N 2.83Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 2.84Å
315K49Very low74.1Confident129 Ų12963.5 Ų63.556%0.56133%0.327SS*.  trans-89.816.3179.9-75-170.3179178.70114.6H312H312-K315 PolarHBondContact O-N 3.35Å
316S30.6Very low72.2Confident105 Ų10567.4 Ų67.473%0.73435%0.347SS*.  trans-10167169.466.90000111.2L314L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 2.84Å
317M28.3Very low69.8Low250 Ų25073.2 Ų73.2100%1.23238%0.376SS*.  trans-150.80153.2-90.2-164.2-82.200107.3

Retrieved 317 of 317 residues in 832 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).