A0A087XQ37_POEFO Loading...

Advillin

AlphaFold DB , UniProt , Accession A0A087XQ37, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 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
1M75Confident85.8Confident158 Ų15860.4 Ų60.478%0.77833%0.325SS*.  0119.60-58.4-157.4-84.300107.6L14 L16 V75 L76M1-L14 HydrophobicContact CB-CD1 4.43Å; M1-L14 HydrophobicContact CE-CD1 3.99Å; M1-L14 HydrophobicContact CG-CD1 4.4Å; M1-L14 HydrophobicContact SD-CD1 3.21Å; M1-L14 WeakPolarHBondContact SD-CD1 3.37Å; M1-L16 HydrophobicContact CE-CD2 4.31Å; M1-V75 HydrophobicContact CE-CG1 4.14Å; M1-L76 HydrophobicContact CB-CD2 3.63Å
2S86.7Confident86.3Confident48 Ų4858.6 Ų58.634%0.33631%0.312SS..  trans-155.2150.5-176.3177.50000109.7K4 S5S2-K4 PolarHBondContact O-N 2.93Å; S2-K4 PolarHBondContact OG-N 2.86Å; S2-S5 PolarHBondContact O-N 3.43Å; S2-S5 VanDerWaalsContact O-N 3.09Å
3W87.3Confident86.5Confident11 Ų1158 Ų584%0.04231%0.308CS..G310 helixtrans-54.8-20.3171.7-72114.1000114.3S5 F6 L72 L76 G77 R79 P80 L83W3-S5 PolarHBondContact O-N 3.31Å; W3-S5 VanDerWaalsContact O-N 3.15Å; W3-F6 HydrophobicContact CE3-CB 4.11Å; W3-F6 HydrophobicContact CE3-CD1 4.03Å; W3-F6 AromaticContact CE3-CD2 3.97Å; W3-F6 HydrophobicContact CE3-CD2 3.97Å; W3-F6 HydrophobicContact CE3-CE1 4.46Å; W3-F6 HydrophobicContact CE3-CE2 4.42Å; W3-F6 AromaticContact CE3-CG 3.77Å; W3-F6 HydrophobicContact CE3-CG 3.77Å; W3-F6 AromaticContact CZ3-CD1 3.75Å; W3-F6 HydrophobicContact CZ3-CD1 3.75Å; W3-F6 HydrophobicContact CZ3-CD2 4.43Å; W3-F6 AromaticContact CZ3-CE1 3.98Å; W3-F6 HydrophobicContact CZ3-CE1 3.98Å; W3-F6 AromaticContact CZ3-CG 4Å; W3-F6 HydrophobicContact CZ3-CG 4Å; W3-F6 HydrophobicContact CZ3-CZ 4.44Å; W3-F6 PolarHBondContact O-N 2.87Å; W3-F6 VanDerWaalsContact O-N 3.09Å; W3-L72 HydrophobicContact CH2-CD1 4.1Å; W3-L72 HydrophobicContact CH2-CD2 4.33Å; W3-L72 HydrophobicContact CZ2-CB 4.17Å; W3-L76 HydrophobicContact CD2-CB 4.39Å; W3-L76 HydrophobicContact CD2-CD1 4.16Å; W3-L76 HydrophobicContact CE3-CD1 4.46Å; W3-L76 HydrophobicContact CG-CB 4.31Å; W3-L76 HydrophobicContact CH2-CD1 4.33Å; W3-L76 HydrophobicContact CZ2-CB 4.45Å; W3-L76 HydrophobicContact CZ2-CD1 4.05Å; W3-G77 PolarHBondContact NE1-O 2.88Å; W3-R79 HydrophobicContact CZ2-CB 4.2Å; W3-R79 HydrophobicContact CZ2-CG 4.47Å; W3-R79 VanDerWaalsContact CZ3-CD 3.5Å; W3-P80 HydrophobicContact CB-CG 3.78Å; W3-P80 VanDerWaalsContact CG-CD 3.48Å; W3-P80 HydrophobicContact CG-CG 4.1Å; W3-L83 HydrophobicContact CE3-CD2 4.43Å
4K86.5Confident86.7Confident195 Ų19554.5 Ų54.585%0.84829%0.29SS*.G310 helixtrans-62.7-17.6175.4-65.4-174.9179.6-176.90114.3S2S2-K4 PolarHBondContact O-N 2.93Å; S2-K4 PolarHBondContact OG-N 2.86Å
5S86Confident86.8Confident84 Ų8454.4 Ų54.459%0.58729%0.289SS*.G310 helixtrans-91-12.9177.4-59.50000113S2 W3 F12S2-S5 PolarHBondContact O-N 3.43Å; S2-S5 VanDerWaalsContact O-N 3.09Å; W3-S5 PolarHBondContact O-N 3.31Å; W3-S5 VanDerWaalsContact O-N 3.15Å; S5-F12 WeakPolarHBondContact O-CE1 3.28Å; S5-F12 WeakPolarHBondContact O-CZ 3.09Å
6F89.8Confident86.7Confident13 Ų1354.8 Ų54.86%0.05729%0.291CS..  trans-85.2147.8-177.9-74.1-113.6000110.1W3 F12 W23 L76 L83 P84W3-F6 HydrophobicContact CE3-CB 4.11Å; W3-F6 HydrophobicContact CE3-CD1 4.03Å; W3-F6 AromaticContact CE3-CD2 3.97Å; W3-F6 HydrophobicContact CE3-CD2 3.97Å; W3-F6 HydrophobicContact CE3-CE1 4.46Å; W3-F6 HydrophobicContact CE3-CE2 4.42Å; W3-F6 AromaticContact CE3-CG 3.77Å; W3-F6 HydrophobicContact CE3-CG 3.77Å; W3-F6 AromaticContact CZ3-CD1 3.75Å; W3-F6 HydrophobicContact CZ3-CD1 3.75Å; W3-F6 HydrophobicContact CZ3-CD2 4.43Å; W3-F6 AromaticContact CZ3-CE1 3.98Å; W3-F6 HydrophobicContact CZ3-CE1 3.98Å; W3-F6 AromaticContact CZ3-CG 4Å; W3-F6 HydrophobicContact CZ3-CG 4Å; W3-F6 HydrophobicContact CZ3-CZ 4.44Å; W3-F6 PolarHBondContact O-N 2.87Å; W3-F6 VanDerWaalsContact O-N 3.09Å; F6-F12 HydrophobicContact CB-CE2 4.37Å; F6-F12 HydrophobicContact CB-CZ 4.47Å; F6-F12 HydrophobicContact CD1-CB 4.08Å; F6-F12 HydrophobicContact CD1-CD1 4.37Å; F6-F12 AromaticContact CD1-CD2 3.72Å; F6-F12 HydrophobicContact CD1-CD2 3.72Å; F6-F12 HydrophobicContact CD1-CE2 4.26Å; F6-F12 AromaticContact CD1-CG 3.77Å; F6-F12 HydrophobicContact CD1-CG 3.77Å; F6-F12 HydrophobicContact CE1-CB 3.59Å; F6-F12 HydrophobicContact CE1-CD1 4.49Å; F6-F12 HydrophobicContact CE1-CD2 4.14Å; F6-F12 AromaticContact CE1-CG 3.82Å; F6-F12 HydrophobicContact CE1-CG 3.82Å; F6-F12 HydrophobicContact CG-CD1 4.45Å; F6-F12 HydrophobicContact CG-CD2 4.31Å; F6-F12 HydrophobicContact CG-CE2 4.49Å; F6-F12 HydrophobicContact CG-CG 4.29Å; F6-F12 HydrophobicContact CZ-CB 4.03Å; F6-F12 HydrophobicContact CZ-CG 4.34Å; F6-W23 AromaticContact CD1-CD2 3.97Å; F6-W23 HydrophobicContact CD1-CD2 3.97Å; F6-W23 AromaticContact CD1-CE3 3.6Å; F6-W23 HydrophobicContact CD1-CE3 3.6Å; F6-W23 AromaticContact CD1-CZ3 3.91Å; F6-W23 HydrophobicContact CD1-CZ3 3.91Å; F6-W23 HydrophobicContact CE1-CB 4.11Å; F6-W23 HydrophobicContact CE1-CD2 4.07Å; F6-W23 AromaticContact CE1-CE3 3.97Å; F6-W23 HydrophobicContact CE1-CE3 3.97Å; F6-W23 HydrophobicContact CE1-CG 4.16Å; F6-L76 HydrophobicContact CE2-CD1 3.63Å; F6-L76 HydrophobicContact CZ-CD1 3.67Å; F6-L83 HydrophobicContact CB-CD1 3.87Å; F6-L83 HydrophobicContact CB-CD2 3.92Å; F6-P84 WeakPolarHBondContact O-CD 3.3Å
7N89.3Confident86.5Confident17 Ų1753.4 Ų53.49%0.09129%0.293CS..  trans-137.6171.5170.468.257.6000109.6G9 D10 W23 P84N7-G9 VanDerWaalsContact C-N 3.34Å; N7-G9 WeakPolarHBondContact OD1-CA 3.45Å; N7-G9 PolarHBondContact OD1-N 2.97Å; N7-D10 PolarHBondContact ND2-OD2 3.43Å; N7-D10 PolarHBondContact OD1-N 3.49Å; N7-W23 VanDerWaalsContact O-CZ3 3.31Å; N7-W23 WeakPolarHBondContact O-CZ3 3.4Å; N7-P84 CarbonylContact C-O 3.52Å; N7-P84 VanDerWaalsContact CA-O 3.24Å; N7-P84 WeakPolarHBondContact CA-O 3.17Å; N7-P84 HydrophobicContact CB-CG 4.23Å; N7-P84 WeakPolarHBondContact CB-O 3.29Å
8L87.6Confident86.4Confident35 Ų3560.3 Ų60.318%0.18332%0.32CS..SBendtrans-78.7-16.5-176.6-62.8176.1000114G25 P26 K27 L83 P84L8-G25 CarbonylContact O-C 3.57Å; L8-G25 VanDerWaalsContact O-CA 3.27Å; L8-G25 WeakPolarHBondContact O-CA 3.42Å; L8-P26 HydrophobicContact CD2-CG 3.93Å; L8-K27 HydrophobicContact CB-CD 4.2Å; L8-K27 HydrophobicContact CB-CG 4.32Å; L8-K27 WeakPolarHBondContact O-CA 3.13Å; L8-K27 VanDerWaalsContact O-CB 3.32Å; L8-K27 WeakPolarHBondContact O-CB 3.25Å; L8-K27 PolarHBondContact O-N 3.25Å; L8-L83 HydrophobicContact CD2-CB 3.87Å; L8-L83 HydrophobicContact CD2-CD1 4.32Å; L8-L83 HydrophobicContact CG-CB 4.02Å; L8-P84 PolarHBondContact N-O 3.31Å
9G82.1Confident86.4Confident15 Ų1558.5 Ų58.516%0.15531%0.311CS..SBendtrans-91.6-28.4-17300000114.8N7 S28N7-G9 VanDerWaalsContact C-N 3.34Å; N7-G9 WeakPolarHBondContact OD1-CA 3.45Å; N7-G9 PolarHBondContact OD1-N 2.97Å; G9-S28 WeakPolarHBondContact O-CA 3.31Å; G9-S28 WeakPolarHBondContact O-CB 3.36Å; G9-S28 PolarHBondContact O-N 3.31Å
10D86.3Confident86.4Confident56 Ų5655.6 Ų55.630%0.29930%0.296SS..SBendtrans-103.9170-168-56.2-14.4000113.6N7 F12 G25N7-D10 PolarHBondContact ND2-OD2 3.43Å; N7-D10 PolarHBondContact OD1-N 3.49Å; D10-F12 HydrophobicContact CB-CD2 4.4Å; D10-F12 HydrophobicContact CB-CE2 3.66Å; D10-F12 HydrophobicContact CB-CZ 3.82Å; D10-G25 WeakPolarHBondContact O-CA 3.46Å; D10-G25 PolarHBondContact O-N 2.99Å
11V87.3Confident86.6Confident32 Ų3253 Ų5319%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-104128.61711780000110.1Q22 N24 E32 R33V11-Q22 HydrophobicContact CG1-CG 3.75Å; V11-N24 WeakPolarHBondContact CG1-OD1 3.39Å; V11-E32 HydrophobicContact CG2-CB 3.93Å; V11-R33 HydrophobicContact CG2-CB 4.48Å; V11-R33 HydrophobicContact CG2-CG 3.92Å
12F92.3Very high87.4Confident39 Ų3945.4 Ų45.417%0.17125%0.245CC..EExtended strand (participates in β ladder)trans-115.3130.8-176.3-64.9-91.1000110.9S5 F6 D10 Q22 W23S5-F12 WeakPolarHBondContact O-CE1 3.28Å; S5-F12 WeakPolarHBondContact O-CZ 3.09Å; F6-F12 HydrophobicContact CB-CE2 4.37Å; F6-F12 HydrophobicContact CB-CZ 4.47Å; F6-F12 HydrophobicContact CD1-CB 4.08Å; F6-F12 HydrophobicContact CD1-CD1 4.37Å; F6-F12 AromaticContact CD1-CD2 3.72Å; F6-F12 HydrophobicContact CD1-CD2 3.72Å; F6-F12 HydrophobicContact CD1-CE2 4.26Å; F6-F12 AromaticContact CD1-CG 3.77Å; F6-F12 HydrophobicContact CD1-CG 3.77Å; F6-F12 HydrophobicContact CE1-CB 3.59Å; F6-F12 HydrophobicContact CE1-CD1 4.49Å; F6-F12 HydrophobicContact CE1-CD2 4.14Å; F6-F12 AromaticContact CE1-CG 3.82Å; F6-F12 HydrophobicContact CE1-CG 3.82Å; F6-F12 HydrophobicContact CG-CD1 4.45Å; F6-F12 HydrophobicContact CG-CD2 4.31Å; F6-F12 HydrophobicContact CG-CE2 4.49Å; F6-F12 HydrophobicContact CG-CG 4.29Å; F6-F12 HydrophobicContact CZ-CB 4.03Å; F6-F12 HydrophobicContact CZ-CG 4.34Å; D10-F12 HydrophobicContact CB-CD2 4.4Å; D10-F12 HydrophobicContact CB-CE2 3.66Å; D10-F12 HydrophobicContact CB-CZ 3.82Å; F12-Q22 CarbonylContact O-C 3.46Å; F12-Q22 WeakPolarHBondContact O-CA 3.49Å; F12-W23 AromaticContact CD2-CE3 3.74Å; F12-W23 HydrophobicContact CD2-CE3 3.74Å; F12-W23 AromaticContact CD2-CZ3 3.91Å; F12-W23 HydrophobicContact CD2-CZ3 3.91Å; F12-W23 HydrophobicContact CE2-CE3 4.45Å; F12-W23 HydrophobicContact CE2-CZ3 4.16Å; F12-W23 PolarHBondContact N-O 3.22Å; F12-W23 PolarHBondContact O-N 3.41Å
13L88.6Confident87.8Confident51 Ų5143.2 Ų43.227%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-102.9115.5171.1-61.6-176.5000110Q22 L39 A40 I43L13-Q22 HydrophobicContact CD2-CB 3.57Å; L13-Q22 HydrophobicContact CD2-CG 3.77Å; L13-L39 HydrophobicContact CD1-CB 3.96Å; L13-L39 HydrophobicContact CD1-CD2 3.73Å; L13-L39 HydrophobicContact CD1-CG 3.7Å; L13-A40 HydrophobicContact CD1-CB 4.16Å; L13-A40 HydrophobicContact CD2-CB 3.97Å; L13-I43 HydrophobicContact CD1-CD1 4.43Å
14L89.5Confident88Confident9 Ų942.7 Ų42.75%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-98.9103.7171.8-176.772.5000109.6M1 L16 V21 L72 V75 L76M1-L14 HydrophobicContact CB-CD1 4.43Å; M1-L14 HydrophobicContact CE-CD1 3.99Å; M1-L14 HydrophobicContact CG-CD1 4.4Å; M1-L14 HydrophobicContact SD-CD1 3.21Å; M1-L14 WeakPolarHBondContact SD-CD1 3.37Å; L14-L16 HydrophobicContact CD1-CD2 4.41Å; L14-L16 HydrophobicContact CD2-CD1 4.34Å; L14-L16 HydrophobicContact CD2-CD2 4.08Å; L14-L16 HydrophobicContact CD2-CG 4.36Å; L14-L16 HydrophobicContact CG-CD2 3.93Å; L14-L16 HydrophobicContact CG-CG 4.22Å; L14-V21 HydrophobicContact CB-CB 4.25Å; L14-V21 PolarHBondContact N-O 3.15Å; L14-V21 PolarHBondContact O-N 2.99Å; L14-L72 HydrophobicContact CD2-CD2 3.62Å; L14-V75 HydrophobicContact CD1-CG1 4.47Å; L14-V75 HydrophobicContact CD2-CB 4.34Å; L14-V75 HydrophobicContact CD2-CG1 4.24Å; L14-L76 HydrophobicContact CD1-CD2 4.3Å; L14-L76 HydrophobicContact CD2-CD1 4.46Å; L14-L76 HydrophobicContact CD2-CG 4.43Å
15D87.9Confident88.1Confident53 Ų5333.4 Ų33.428%0.28319%0.187SC..EExtended strand (participates in β ladder)trans-90.3116.4179.3-174.4-1.4000111.9G17 R48D15-G17 PolarHBondContact OD1-N 3.31Å; D15-R48 IonicContact OD1-CZ 3.57Å; D15-R48 IonicContact OD1-NH1 3.55Å; D15-R48 PolarHBondContact OD1-NH1 2.79Å; D15-R48 IonicContact OD1-NH2 2.85Å; D15-R48 IonicContact OD2-CZ 3.35Å; D15-R48 IonicContact OD2-NH1 3.8Å; D15-R48 PolarHBondContact OD2-NH1 3.19Å; D15-R48 IonicContact OD2-NH2 3.55Å; D15-R48 PolarHBondContact OD2-NH2 2.75Å
16L85.4Confident88.1Confident60 Ų6031.6 Ų31.631%0.31417%0.173SC..  trans-110.819.4179.7-52.5176.3000112M1 L14 K18 T19 V21 V71 V75M1-L16 HydrophobicContact CE-CD2 4.31Å; L14-L16 HydrophobicContact CD1-CD2 4.41Å; L14-L16 HydrophobicContact CD2-CD1 4.34Å; L14-L16 HydrophobicContact CD2-CD2 4.08Å; L14-L16 HydrophobicContact CD2-CG 4.36Å; L14-L16 HydrophobicContact CG-CD2 3.93Å; L14-L16 HydrophobicContact CG-CG 4.22Å; L16-K18 PolarHBondContact O-N 3.47Å; L16-K18 VanDerWaalsContact O-N 3.07Å; L16-T19 WeakPolarHBondContact CA-O 3.36Å; L16-T19 VanDerWaalsContact CB-O 3.31Å; L16-T19 WeakPolarHBondContact CB-O 3Å; L16-T19 PolarHBondContact N-O 3.05Å; L16-V21 HydrophobicContact CD1-CG2 4.49Å; L16-V71 HydrophobicContact CD1-CG1 3.53Å; L16-V75 HydrophobicContact CD1-CG2 3.99Å; L16-V75 HydrophobicContact CD2-CB 4.48Å; L16-V75 HydrophobicContact CD2-CG1 4.01Å; L16-V75 HydrophobicContact CD2-CG2 3.8Å
17G82.8Confident87.8Confident32 Ų3237.2 Ų37.233%0.3320%0.197SC..SBendtrans84.4-77.3179.400000112.5D15 R48D15-G17 PolarHBondContact OD1-N 3.31Å; G17-R48 PolarHBondContact O-NH1 2.72Å
18K84.2Confident87.3Confident177 Ų17736.7 Ų36.777%0.7720%0.195SC*.SBendtrans-82.6-15.9178.6-69.7-172.3178.5-176.60113.4L16 A52 E53L16-K18 PolarHBondContact O-N 3.47Å; L16-K18 VanDerWaalsContact O-N 3.07Å; K18-A52 CarbonylContact O-C 3.55Å; K18-A52 VanDerWaalsContact O-CA 3.3Å; K18-A52 WeakPolarHBondContact O-CA 3.1Å; K18-E53 PolarHBondContact O-N 2.96Å
19T87.6Confident86.5Confident27 Ų2737.6 Ų37.617%0.16620%0.2CC..EExtended strand (participates in β ladder)trans-135.2134.2-179.2-52.80000108.1L16 V21 E53 R55L16-T19 WeakPolarHBondContact CA-O 3.36Å; L16-T19 VanDerWaalsContact CB-O 3.31Å; L16-T19 WeakPolarHBondContact CB-O 3Å; L16-T19 PolarHBondContact N-O 3.05Å; T19-V21 HydrophobicContact CG2-CG2 4.12Å; T19-E53 CarbonylContact C-O 3.58Å; T19-E53 VanDerWaalsContact CA-O 3.29Å; T19-E53 WeakPolarHBondContact CA-O 3.44Å; T19-R55 HydrophobicContact CG2-CG 4.08Å
20I85.4Confident85.9Confident0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-115.9119.4174.1-56.5169.9000105.8A40 I43 R44 A52 E53 I54 R55I20-A40 HydrophobicContact CG2-CB 4.01Å; I20-I43 HydrophobicContact CD1-CB 3.97Å; I20-I43 HydrophobicContact CD1-CG2 3.66Å; I20-R44 HydrophobicContact CD1-CB 4.26Å; I20-A52 HydrophobicContact CD1-CB 4.28Å; I20-A52 HydrophobicContact CG1-CB 4.46Å; I20-E53 PolarHBondContact N-O 2.82Å; I20-I54 HydrophobicContact CB-CG1 4.47Å; I20-I54 CarbonylContact O-C 3.51Å; I20-I54 WeakPolarHBondContact O-CA 3.29Å; I20-R55 PolarHBondContact O-N 2.92Å
21V91.6Very high84.6Confident0 Ų039.6 Ų39.60%021%0.209CC..EExtended strand (participates in β ladder)trans-103.8114.2179.1-174.30000108.9L14 L16 T19 R55 I57 V71 L72L14-V21 HydrophobicContact CB-CB 4.25Å; L14-V21 PolarHBondContact N-O 3.15Å; L14-V21 PolarHBondContact O-N 2.99Å; L16-V21 HydrophobicContact CD1-CG2 4.49Å; T19-V21 HydrophobicContact CG2-CG2 4.12Å; V21-R55 CarbonylContact C-O 3.59Å; V21-R55 VanDerWaalsContact CA-O 3.3Å; V21-R55 WeakPolarHBondContact CA-O 3.41Å; V21-R55 HydrophobicContact CG2-CB 4.36Å; V21-I57 HydrophobicContact CG1-CD1 3.61Å; V21-I57 HydrophobicContact CG1-CG1 4.19Å; V21-V71 HydrophobicContact CG2-CG1 4.22Å; V21-L72 HydrophobicContact CG1-CD1 4.38Å; V21-L72 HydrophobicContact CG1-CG 4.31Å
22Q92.2Very high83.7Confident0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-86.9118167.1178.4174.2-25.200109.2V11 F12 L13 N24 R33 R55 V56 I57V11-Q22 HydrophobicContact CG1-CG 3.75Å; F12-Q22 CarbonylContact O-C 3.46Å; F12-Q22 WeakPolarHBondContact O-CA 3.49Å; L13-Q22 HydrophobicContact CD2-CB 3.57Å; L13-Q22 HydrophobicContact CD2-CG 3.77Å; Q22-N24 WeakPolarHBondContact CG-OD1 3.48Å; Q22-N24 PolarHBondContact NE2-OD1 3.38Å; Q22-R33 PolarHBondContact NE2-O 3.14Å; Q22-R55 PolarHBondContact N-O 3.07Å; Q22-V56 CarbonylContact O-C 3.56Å; Q22-V56 WeakPolarHBondContact O-CA 3.49Å; Q22-I57 PolarHBondContact O-N 3.38Å
23W93.8Very high83.2Confident2 Ų240.8 Ų40.81%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-108.2123.3170.6-177.193.9000108.7F6 N7 F12 I57 E62 L83F6-W23 AromaticContact CD1-CD2 3.97Å; F6-W23 HydrophobicContact CD1-CD2 3.97Å; F6-W23 AromaticContact CD1-CE3 3.6Å; F6-W23 HydrophobicContact CD1-CE3 3.6Å; F6-W23 AromaticContact CD1-CZ3 3.91Å; F6-W23 HydrophobicContact CD1-CZ3 3.91Å; F6-W23 HydrophobicContact CE1-CB 4.11Å; F6-W23 HydrophobicContact CE1-CD2 4.07Å; F6-W23 AromaticContact CE1-CE3 3.97Å; F6-W23 HydrophobicContact CE1-CE3 3.97Å; F6-W23 HydrophobicContact CE1-CG 4.16Å; N7-W23 VanDerWaalsContact O-CZ3 3.31Å; N7-W23 WeakPolarHBondContact O-CZ3 3.4Å; F12-W23 AromaticContact CD2-CE3 3.74Å; F12-W23 HydrophobicContact CD2-CE3 3.74Å; F12-W23 AromaticContact CD2-CZ3 3.91Å; F12-W23 HydrophobicContact CD2-CZ3 3.91Å; F12-W23 HydrophobicContact CE2-CE3 4.45Å; F12-W23 HydrophobicContact CE2-CZ3 4.16Å; F12-W23 PolarHBondContact N-O 3.22Å; F12-W23 PolarHBondContact O-N 3.41Å; W23-I57 WeakPolarHBondContact CA-O 3.5Å; W23-E62 PolarHBondContact NE1-OE1 3.13Å; W23-L83 HydrophobicContact CH2-CD1 3.57Å; W23-L83 HydrophobicContact CZ2-CD1 3.95Å; W23-L83 HydrophobicContact CZ3-CD1 4.43Å
24N91.4Very high82.1Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-98123.3179.6-59.9-28.6000109.8V11 Q22 R33 I57 E58 G59 Y576V11-N24 WeakPolarHBondContact CG1-OD1 3.39Å; Q22-N24 WeakPolarHBondContact CG-OD1 3.48Å; Q22-N24 PolarHBondContact NE2-OD1 3.38Å; N24-R33 HydrophobicContact CB-CG 4.05Å; N24-I57 PolarHBondContact N-O 3.45Å; N24-E58 PolarHBondContact ND2-OE2 3.12Å; N24-G59 WeakPolarHBondContact O-CA 3.47Å; N24-G59 PolarHBondContact O-N 3.32Å; N24-Y576 PolarHBondContact ND2-OH 3Å
25G89.6Confident81Confident0 Ų045.6 Ų45.60%023%0.232CC..  trans-55.3140.117100000111.3L8 D10 K27 S28L8-G25 CarbonylContact O-C 3.57Å; L8-G25 VanDerWaalsContact O-CA 3.27Å; L8-G25 WeakPolarHBondContact O-CA 3.42Å; D10-G25 WeakPolarHBondContact O-CA 3.46Å; D10-G25 PolarHBondContact O-N 2.99Å; G25-K27 PolarHBondContact O-N 3.33Å; G25-S28 WeakPolarHBondContact O-CB 3.48Å; G25-S28 PolarHBondContact O-N 3.32Å; G25-S28 PolarHBondContact O-OG 3.37Å
26P86.6Confident80.1Confident46 Ų4643.5 Ų43.530%0.29922%0.223SC..THydrogen-bonded Turntrans-55.4-25.2177.7-26.333.8000114.5L8 D60L8-P26 HydrophobicContact CD2-CG 3.93Å; P26-D60 HydrophobicContact CB-CB 4.14Å
27K83.2Confident79.6Confident131 Ų13140.9 Ų40.957%0.5721%0.21SC*.THydrogen-bonded Turntrans-102.53.3178.9-56.8-178.8175.3-178.90113.2L8 G25 D85L8-K27 HydrophobicContact CB-CD 4.2Å; L8-K27 HydrophobicContact CB-CG 4.32Å; L8-K27 WeakPolarHBondContact O-CA 3.13Å; L8-K27 VanDerWaalsContact O-CB 3.32Å; L8-K27 WeakPolarHBondContact O-CB 3.25Å; L8-K27 PolarHBondContact O-N 3.25Å; G25-K27 PolarHBondContact O-N 3.33Å; K27-D85 WeakPolarHBondContact CE-OD1 3.21Å; K27-D85 VanDerWaalsContact NZ-CG 3.26Å; K27-D85 IonicContact NZ-OD1 2.6Å; K27-D85 PolarHBondContact NZ-OD1 2.77Å; K27-D85 IonicContact NZ-OD2 3.35Å; K27-D85 PolarHBondContact NZ-OD2 3.44Å
28S77.9Confident78.7Confident5 Ų544.2 Ų44.24%0.03522%0.218CC..  trans-70.8143.7176.265.30000111.9G9 G25 E32 R33G9-S28 WeakPolarHBondContact O-CA 3.31Å; G9-S28 WeakPolarHBondContact O-CB 3.36Å; G9-S28 PolarHBondContact O-N 3.31Å; G25-S28 WeakPolarHBondContact O-CB 3.48Å; G25-S28 PolarHBondContact O-N 3.32Å; G25-S28 PolarHBondContact O-OG 3.37Å; S28-E32 WeakPolarHBondContact CA-OE2 3.15Å; S28-R33 PolarHBondContact O-NE 3.19Å; S28-R33 PolarHBondContact O-NH2 3.46Å; S28-R33 PolarHBondContact OG-NE 3.4Å; S28-R33 VanDerWaalsContact OG-NE 3.1Å
29N70.5Confident77.6Confident54 Ų5440.3 Ų40.329%0.28921%0.205SC..  trans-86.9162.2-178.273.855.6000112.4Q31 E32 R33N29-Q31 VanDerWaalsContact C-N 3.26Å; N29-Q31 PolarHBondContact O-N 3.24Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.37Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.25Å; N29-Q31 PolarHBondContact OD1-N 2.72Å; N29-E32 PolarHBondContact N-OE2 3.17Å; N29-E32 WeakPolarHBondContact ND2-CG 3.15Å; N29-E32 PolarHBondContact ND2-OE1 3.04Å; N29-E32 PolarHBondContact ND2-OE2 2.78Å; N29-E32 PolarHBondContact O-N 3.09Å; N29-E32 WeakPolarHBondContact OD1-CG 3.48Å; N29-E32 PolarHBondContact OD1-N 3.25Å; N29-R33 VanDerWaalsContact O-CG 3.31Å; N29-R33 WeakPolarHBondContact O-CG 3.22Å; N29-R33 PolarHBondContact O-N 3.28Å; N29-R33 VanDerWaalsContact O-N 3.11Å
30T69Low76.8Confident79 Ų7939 Ų3949%0.48520%0.197SC..Hα-helixtrans-60.3-34.2-175.6-51.40000112.8R33 L34T30-R33 PolarHBondContact O-N 2.86Å; T30-L34 WeakPolarHBondContact O-CB 3.25Å; T30-L34 PolarHBondContact O-N 3.3Å
31Q59Low75.8Confident35 Ų3543.8 Ų43.816%0.16422%0.217CC..Hα-helixtrans-74.3-37.6-178.6-163.7168.70.400112.1N29 R33 L34 K35 D493N29-Q31 VanDerWaalsContact C-N 3.26Å; N29-Q31 PolarHBondContact O-N 3.24Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.37Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.25Å; N29-Q31 PolarHBondContact OD1-N 2.72Å; Q31-R33 VanDerWaalsContact C-N 3.34Å; Q31-L34 PolarHBondContact O-N 2.85Å; Q31-K35 WeakPolarHBondContact O-CB 3.31Å; Q31-K35 WeakPolarHBondContact O-CG 3.06Å; Q31-K35 PolarHBondContact O-N 3.4Å; Q31-D493 PolarHBondContact NE2-O 3.48Å
32E70.3Confident74.2Confident58 Ų5846.8 Ų46.827%0.27123%0.234SC..Hα-helixtrans-61.2-43.5169.9-71.2166.416000111.2V11 S28 N29 L34 K35 G36V11-E32 HydrophobicContact CG2-CB 3.93Å; S28-E32 WeakPolarHBondContact CA-OE2 3.15Å; N29-E32 PolarHBondContact N-OE2 3.17Å; N29-E32 WeakPolarHBondContact ND2-CG 3.15Å; N29-E32 PolarHBondContact ND2-OE1 3.04Å; N29-E32 PolarHBondContact ND2-OE2 2.78Å; N29-E32 PolarHBondContact O-N 3.09Å; N29-E32 WeakPolarHBondContact OD1-CG 3.48Å; N29-E32 PolarHBondContact OD1-N 3.25Å; E32-L34 VanDerWaalsContact C-N 3.31Å; E32-L34 PolarHBondContact O-N 2.65Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-G36 PolarHBondContact O-N 3.26Å
33R81.3Confident72.6Confident37 Ų3747.9 Ų47.914%0.1424%0.239CC..Hα-helixtrans-62.2-40.9176.4-63.3177.1-163.4-165.315.3111.2V11 Q22 N24 S28 N29 T30 Q31 M37 E58 Y576V11-R33 HydrophobicContact CG2-CB 4.48Å; V11-R33 HydrophobicContact CG2-CG 3.92Å; Q22-R33 PolarHBondContact NE2-O 3.14Å; N24-R33 HydrophobicContact CB-CG 4.05Å; S28-R33 PolarHBondContact O-NE 3.19Å; S28-R33 PolarHBondContact O-NH2 3.46Å; S28-R33 PolarHBondContact OG-NE 3.4Å; S28-R33 VanDerWaalsContact OG-NE 3.1Å; N29-R33 VanDerWaalsContact O-CG 3.31Å; N29-R33 WeakPolarHBondContact O-CG 3.22Å; N29-R33 PolarHBondContact O-N 3.28Å; N29-R33 VanDerWaalsContact O-N 3.11Å; T30-R33 PolarHBondContact O-N 2.86Å; Q31-R33 VanDerWaalsContact C-N 3.34Å; R33-M37 WeakPolarHBondContact O-CB 3.03Å; R33-M37 PolarHBondContact O-N 3.33Å; R33-E58 IonicContact CZ-OE2 2.66Å; R33-E58 IonicContact NH1-OE2 3.07Å; R33-E58 PolarHBondContact NH1-OE2 3.33Å; R33-Y576 HydrophobicContact CB-CD2 4.07Å; R33-Y576 HydrophobicContact CB-CE2 3.8Å
34L65.2Low71.6Confident57 Ų5750.2 Ų50.230%0.29825%0.248SC..Hα-helixtrans-67.9-45.5175.9-174.465.5000111.9T30 Q31 E32 G36 M37 M38 L579T30-L34 WeakPolarHBondContact O-CB 3.25Å; T30-L34 PolarHBondContact O-N 3.3Å; Q31-L34 PolarHBondContact O-N 2.85Å; E32-L34 VanDerWaalsContact C-N 3.31Å; E32-L34 PolarHBondContact O-N 2.65Å; L34-G36 PolarHBondContact O-N 3.02Å; L34-M37 WeakPolarHBondContact O-CB 3.28Å; L34-M37 PolarHBondContact O-N 2.98Å; L34-M37 VanDerWaalsContact O-N 3.14Å; L34-M38 HydrophobicContact CG-SD 4.38Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 2.77Å; L34-L579 HydrophobicContact CD1-CD1 3.76Å
35K65.7Low69.8Low104 Ų10453.3 Ų53.345%0.45226%0.264SS..Hα-helixtrans-61.3-43.3176.3-77.2-179.1174.4-1790111.2Q31 E32 M37 M38 L39 D494Q31-K35 WeakPolarHBondContact O-CB 3.31Å; Q31-K35 WeakPolarHBondContact O-CG 3.06Å; Q31-K35 PolarHBondContact O-N 3.4Å; E32-K35 PolarHBondContact O-N 3.39Å; K35-M37 VanDerWaalsContact C-N 3.33Å; K35-M37 PolarHBondContact O-N 3.17Å; K35-M38 PolarHBondContact O-N 3.08Å; K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 3.16Å; K35-D494 IonicContact NZ-OD1 3.34Å; K35-D494 PolarHBondContact NZ-OD1 2.92Å
36G69.3Low67.9Low10 Ų1062.6 Ų62.610%0.10330%0.3CS..Hα-helixtrans-58.4-43.317200000112.3E32 L34 L39 A40E32-G36 PolarHBondContact O-N 3.26Å; L34-G36 PolarHBondContact O-N 3.02Å; G36-L39 PolarHBondContact O-N 3.11Å; G36-A40 WeakPolarHBondContact O-CB 3.41Å; G36-A40 PolarHBondContact O-N 2.92Å
37M75.9Confident66.9Low5 Ų566.5 Ų66.53%0.02531%0.314CS..Hα-helixtrans-65.3-43.9177.6-173.771.969.100112.4R33 L34 K35 L39 A40 K41 I54 V56 Y576 L583R33-M37 WeakPolarHBondContact O-CB 3.03Å; R33-M37 PolarHBondContact O-N 3.33Å; L34-M37 WeakPolarHBondContact O-CB 3.28Å; L34-M37 PolarHBondContact O-N 2.98Å; L34-M37 VanDerWaalsContact O-N 3.14Å; K35-M37 VanDerWaalsContact C-N 3.33Å; K35-M37 PolarHBondContact O-N 3.17Å; M37-L39 VanDerWaalsContact C-N 3.31Å; M37-L39 PolarHBondContact O-N 3.36Å; M37-A40 PolarHBondContact O-N 3.05Å; M37-K41 WeakPolarHBondContact O-CB 3.41Å; M37-K41 PolarHBondContact O-N 3.45Å; M37-I54 HydrophobicContact SD-CG2 4.22Å; M37-V56 HydrophobicContact CE-CG1 4.43Å; M37-V56 HydrophobicContact CE-CG2 3.38Å; M37-V56 HydrophobicContact SD-CG2 4.2Å; M37-Y576 HydrophobicContact CE-CD2 4.34Å; M37-Y576 HydrophobicContact CE-CE2 3.71Å; M37-L583 HydrophobicContact CE-CD1 4.24Å; M37-L583 HydrophobicContact SD-CD1 3.4Å; M37-L583 WeakPolarHBondContact SD-CD1 3.37Å
38M62.3Low66.3Low102 Ų10263.4 Ų63.450%0.50230%0.299SS..Hα-helixtrans-61-42.7176.8-72177.270.600110.9L34 K35 K41 D42L34-M38 HydrophobicContact CG-SD 4.38Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 2.77Å; K35-M38 PolarHBondContact O-N 3.08Å; M38-K41 PolarHBondContact O-N 3.21Å; M38-D42 PolarHBondContact O-N 2.86Å
39L63Low65.7Low95 Ų9565.9 Ų65.950%0.49733%0.325SS..Hα-helixtrans-64.4-44.4175.7179.659.7000111.9L13 K35 G36 M37 K41 D42 I43L13-L39 HydrophobicContact CD1-CB 3.96Å; L13-L39 HydrophobicContact CD1-CD2 3.73Å; L13-L39 HydrophobicContact CD1-CG 3.7Å; K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 3.16Å; G36-L39 PolarHBondContact O-N 3.11Å; M37-L39 VanDerWaalsContact C-N 3.31Å; M37-L39 PolarHBondContact O-N 3.36Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.3Å; L39-D42 PolarHBondContact O-N 3.11Å; L39-I43 HydrophobicContact CD1-CD1 4.29Å; L39-I43 HydrophobicContact CD1-CG1 4.4Å; L39-I43 HydrophobicContact CG-CD1 4.14Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.4Å
40A69.6Low65.6Low0 Ų065.2 Ų65.20%033%0.331CS..Hα-helixtrans-59.7-40.317600000112.1L13 I20 G36 M37 R44 I54L13-A40 HydrophobicContact CD1-CB 4.16Å; L13-A40 HydrophobicContact CD2-CB 3.97Å; I20-A40 HydrophobicContact CG2-CB 4.01Å; G36-A40 WeakPolarHBondContact O-CB 3.41Å; G36-A40 PolarHBondContact O-N 2.92Å; M37-A40 PolarHBondContact O-N 3.05Å; A40-R44 WeakPolarHBondContact O-CB 3.39Å; A40-R44 PolarHBondContact O-N 2.8Å; A40-I54 HydrophobicContact CB-CD1 4.12Å; A40-I54 HydrophobicContact CB-CG1 4.41Å; A40-I54 HydrophobicContact CB-CG2 4.1Å
41K65.4Low65.8Low99 Ų9972.2 Ų72.243%0.4335%0.349SS..Hα-helixtrans-65.9-41.6175.5-170178.5177.1-177.10112.1M37 M38 L39 R44 D45 I54M37-K41 WeakPolarHBondContact O-CB 3.41Å; M37-K41 PolarHBondContact O-N 3.45Å; M38-K41 PolarHBondContact O-N 3.21Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.3Å; K41-R44 WeakPolarHBondContact O-CB 3.34Å; K41-R44 PolarHBondContact O-N 3.03Å; K41-D45 WeakPolarHBondContact CG-OD2 3.3Å; K41-D45 WeakPolarHBondContact O-CB 3.21Å; K41-D45 VanDerWaalsContact O-CG 3.3Å; K41-D45 PolarHBondContact O-N 3.29Å; K41-I54 HydrophobicContact CB-CD1 4.24Å
42D56.3Low66.4Low63 Ų6370.9 Ų70.934%0.33734%0.344SS..Hα-helixtrans-63.4-44.2177-161.764.7000111.7M38 L39 R44 D45 R46M38-D42 PolarHBondContact O-N 2.86Å; L39-D42 PolarHBondContact O-N 3.11Å; D42-R44 PolarHBondContact O-N 3.46Å; D42-D45 PolarHBondContact O-N 2.95Å; D42-R46 VanDerWaalsContact O-CB 3.32Å; D42-R46 WeakPolarHBondContact O-CB 3.39Å; D42-R46 PolarHBondContact O-N 3.38Å; D42-R46 VanDerWaalsContact OD1-CD 3.26Å; D42-R46 WeakPolarHBondContact OD1-CD 3.47Å; D42-R46 IonicContact OD1-CZ 2.64Å; D42-R46 IonicContact OD1-NE 3.38Å; D42-R46 PolarHBondContact OD1-NE 3.38Å; D42-R46 IonicContact OD1-NH2 3.3Å; D42-R46 WeakPolarHBondContact OD2-CD 3.44Å; D42-R46 IonicContact OD2-NE 3.39Å
43I58.6Low67.2Low23 Ų2372.1 Ų72.112%0.11835%0.349CS..Iπ-helixtrans-59.8-47.1174.4-64.3165.2000110.3L13 I20 L39 D45 E47 R48L13-I43 HydrophobicContact CD1-CD1 4.43Å; I20-I43 HydrophobicContact CD1-CB 3.97Å; I20-I43 HydrophobicContact CD1-CG2 3.66Å; L39-I43 HydrophobicContact CD1-CD1 4.29Å; L39-I43 HydrophobicContact CD1-CG1 4.4Å; L39-I43 HydrophobicContact CG-CD1 4.14Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.4Å; I43-D45 PolarHBondContact O-N 3.15Å; I43-E47 HydrophobicContact CG2-CB 4.47Å; I43-E47 WeakPolarHBondContact O-CA 3.35Å; I43-E47 VanDerWaalsContact O-CB 3.25Å; I43-E47 WeakPolarHBondContact O-CB 3.4Å; I43-E47 PolarHBondContact O-N 3.08Å; I43-R48 PolarHBondContact O-N 2.74Å
44R74.3Confident67.3Low51 Ų5170.7 Ų70.719%0.19235%0.345CS..Iπ-helixtrans-57.4-49.8176.8178.6-166.972.8177.65.6111.7I20 A40 K41 D42 R48 G49 G50 A52 I54I20-R44 HydrophobicContact CD1-CB 4.26Å; A40-R44 WeakPolarHBondContact O-CB 3.39Å; A40-R44 PolarHBondContact O-N 2.8Å; K41-R44 WeakPolarHBondContact O-CB 3.34Å; K41-R44 PolarHBondContact O-N 3.03Å; D42-R44 PolarHBondContact O-N 3.46Å; R44-R48 CarbonylContact O-C 3.56Å; R44-R48 VanDerWaalsContact O-C 3.29Å; R44-R48 WeakPolarHBondContact O-CA 3.01Å; R44-R48 VanDerWaalsContact O-CB 3.29Å; R44-R48 WeakPolarHBondContact O-CB 3.28Å; R44-R48 PolarHBondContact O-N 3.21Å; R44-G49 PolarHBondContact O-N 3.16Å; R44-G50 WeakPolarHBondContact O-CA 3.42Å; R44-G50 PolarHBondContact O-N 2.85Å; R44-A52 HydrophobicContact CB-CB 4.4Å; R44-A52 WeakPolarHBondContact CD-O 3.25Å; R44-A52 HydrophobicContact CG-CB 4.07Å; R44-A52 WeakPolarHBondContact CG-O 3.46Å; R44-I54 HydrophobicContact CB-CD1 4.12Å; R44-I54 HydrophobicContact CB-CG1 4.43Å
45D53.8Low68.4Low65 Ų6570.6 Ų70.635%0.34834%0.34SS..Iπ-helixtrans-78.7-46.7-169.4-67.8-16.8000111.4K41 D42 I43 G49K41-D45 WeakPolarHBondContact CG-OD2 3.3Å; K41-D45 WeakPolarHBondContact O-CB 3.21Å; K41-D45 VanDerWaalsContact O-CG 3.3Å; K41-D45 PolarHBondContact O-N 3.29Å; D42-D45 PolarHBondContact O-N 2.95Å; I43-D45 PolarHBondContact O-N 3.15Å; D45-G49 WeakPolarHBondContact O-CA 3.46Å; D45-G49 PolarHBondContact O-N 2.67Å
46R48.2Very low69.6Low195 Ų19566.3 Ų66.374%0.73632%0.323SS*.Iπ-helixtrans-82.6-42-176.4-60.7-167.2-172.9-158.82113.5D42D42-R46 VanDerWaalsContact O-CB 3.32Å; D42-R46 WeakPolarHBondContact O-CB 3.39Å; D42-R46 PolarHBondContact O-N 3.38Å; D42-R46 VanDerWaalsContact OD1-CD 3.26Å; D42-R46 WeakPolarHBondContact OD1-CD 3.47Å; D42-R46 IonicContact OD1-CZ 2.64Å; D42-R46 IonicContact OD1-NE 3.38Å; D42-R46 PolarHBondContact OD1-NE 3.38Å; D42-R46 IonicContact OD1-NH2 3.3Å; D42-R46 WeakPolarHBondContact OD2-CD 3.44Å; D42-R46 IonicContact OD2-NE 3.39Å
47E66.6Low70.6Confident129 Ų12965.9 Ų65.960%0.60332%0.318SS*.Iπ-helixtrans-94-28.5-174.7-54.6-173.7-167.400113.1I43I43-E47 HydrophobicContact CG2-CB 4.47Å; I43-E47 WeakPolarHBondContact O-CA 3.35Å; I43-E47 VanDerWaalsContact O-CB 3.25Å; I43-E47 WeakPolarHBondContact O-CB 3.4Å; I43-E47 PolarHBondContact O-N 3.08Å
48R70.2Confident71.2Confident65 Ų6566.4 Ų66.425%0.24532%0.32CS..SBendtrans-111.35.3-176.4-46.3-63.5159.568.96.3113.6D15 G17 I43 R44 G50 R51 A52D15-R48 IonicContact OD1-CZ 3.57Å; D15-R48 IonicContact OD1-NH1 3.55Å; D15-R48 PolarHBondContact OD1-NH1 2.79Å; D15-R48 IonicContact OD1-NH2 2.85Å; D15-R48 IonicContact OD2-CZ 3.35Å; D15-R48 IonicContact OD2-NH1 3.8Å; D15-R48 PolarHBondContact OD2-NH1 3.19Å; D15-R48 IonicContact OD2-NH2 3.55Å; D15-R48 PolarHBondContact OD2-NH2 2.75Å; G17-R48 PolarHBondContact O-NH1 2.72Å; I43-R48 PolarHBondContact O-N 2.74Å; R44-R48 CarbonylContact O-C 3.56Å; R44-R48 VanDerWaalsContact O-C 3.29Å; R44-R48 WeakPolarHBondContact O-CA 3.01Å; R44-R48 VanDerWaalsContact O-CB 3.29Å; R44-R48 WeakPolarHBondContact O-CB 3.28Å; R44-R48 PolarHBondContact O-N 3.21Å; R48-G50 PolarHBondContact O-N 2.77Å; R48-R51 PolarHBondContact O-N 3.23Å; R48-A52 HydrophobicContact CB-CB 3.78Å; R48-A52 HydrophobicContact CG-CB 3.82Å
49G64.4Low72.3Confident58 Ų5862.2 Ų62.260%0.59830%0.303SS*.THydrogen-bonded Turntrans58.634.1178.300000113R44 D45 R51R44-G49 PolarHBondContact O-N 3.16Å; D45-G49 WeakPolarHBondContact O-CA 3.46Å; D45-G49 PolarHBondContact O-N 2.67Å; G49-R51 VanDerWaalsContact C-N 3.33Å; G49-R51 PolarHBondContact O-N 2.74Å
50G68.6Low73.2Confident40 Ų4062.8 Ų62.841%0.41231%0.307SS..THydrogen-bonded Turntrans80.33179.100000115.5R44 R48R44-G50 WeakPolarHBondContact O-CA 3.42Å; R44-G50 PolarHBondContact O-N 2.85Å; R48-G50 PolarHBondContact O-N 2.77Å
51R73.6Confident73.9Confident225 Ų22564.3 Ų64.385%0.84932%0.319SS*.  trans-98.2-2-169.2-55.6-178.4-167.6179.91.9115.3R48 G49R48-R51 PolarHBondContact O-N 3.23Å; G49-R51 VanDerWaalsContact C-N 3.33Å; G49-R51 PolarHBondContact O-N 2.74Å
52A72.9Confident74.8Confident7 Ų761.4 Ų61.46%0.05831%0.308CS..PPolyproline II helixtrans-88.2140.5177.600000111.2K18 I20 R44 R48K18-A52 CarbonylContact O-C 3.55Å; K18-A52 VanDerWaalsContact O-CA 3.3Å; K18-A52 WeakPolarHBondContact O-CA 3.1Å; I20-A52 HydrophobicContact CD1-CB 4.28Å; I20-A52 HydrophobicContact CG1-CB 4.46Å; R44-A52 HydrophobicContact CB-CB 4.4Å; R44-A52 WeakPolarHBondContact CD-O 3.25Å; R44-A52 HydrophobicContact CG-CB 4.07Å; R44-A52 WeakPolarHBondContact CG-O 3.46Å; R48-A52 HydrophobicContact CB-CB 3.78Å; R48-A52 HydrophobicContact CG-CB 3.82Å
53E86.5Confident76Confident84 Ų8463.6 Ų63.639%0.39333%0.328SS..EExtended strand (participates in β ladder)trans-84.5133.5176.5-168.7-168.7159.600109.7K18 T19 I20 R55K18-E53 PolarHBondContact O-N 2.96Å; T19-E53 CarbonylContact C-O 3.58Å; T19-E53 VanDerWaalsContact CA-O 3.29Å; T19-E53 WeakPolarHBondContact CA-O 3.44Å; I20-E53 PolarHBondContact N-O 2.82Å; E53-R55 VanDerWaalsContact CD-NE 3.26Å; E53-R55 HydrophobicContact CG-CG 4.38Å; E53-R55 IonicContact OE1-CZ 3.58Å; E53-R55 VanDerWaalsContact OE1-CZ 3.29Å; E53-R55 IonicContact OE1-NE 2.6Å; E53-R55 PolarHBondContact OE1-NE 3.11Å; E53-R55 IonicContact OE1-NH2 3.56Å; E53-R55 PolarHBondContact OE1-NH2 3.1Å; E53-R55 VanDerWaalsContact OE1-NH2 3.08Å; E53-R55 IonicContact OE2-CZ 2.67Å; E53-R55 IonicContact OE2-NE 3.22Å; E53-R55 PolarHBondContact OE2-NE 3.26Å; E53-R55 IonicContact OE2-NH2 2.73Å; E53-R55 PolarHBondContact OE2-NH2 3.14Å
54I82.9Confident77.1Confident8 Ų866.8 Ų66.84%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-103.6122.6174.9-59.7169.8000108.2I20 M37 A40 K41 R44 L583I20-I54 HydrophobicContact CB-CG1 4.47Å; I20-I54 CarbonylContact O-C 3.51Å; I20-I54 WeakPolarHBondContact O-CA 3.29Å; M37-I54 HydrophobicContact SD-CG2 4.22Å; A40-I54 HydrophobicContact CB-CD1 4.12Å; A40-I54 HydrophobicContact CB-CG1 4.41Å; A40-I54 HydrophobicContact CB-CG2 4.1Å; K41-I54 HydrophobicContact CB-CD1 4.24Å; R44-I54 HydrophobicContact CB-CD1 4.12Å; R44-I54 HydrophobicContact CB-CG1 4.43Å; I54-L583 HydrophobicContact CB-CD1 4.5Å; I54-L583 HydrophobicContact CB-CD2 4.49Å; I54-L583 HydrophobicContact CG2-CD1 4.35Å
55R89.1Confident77.6Confident54 Ų5465.9 Ų65.920%0.20435%0.353CS..EExtended strand (participates in β ladder)trans-115.7134.1178.4-66.7179.9178.5-1577.9109.8T19 I20 V21 Q22 E53 N68T19-R55 HydrophobicContact CG2-CG 4.08Å; I20-R55 PolarHBondContact O-N 2.92Å; V21-R55 CarbonylContact C-O 3.59Å; V21-R55 VanDerWaalsContact CA-O 3.3Å; V21-R55 WeakPolarHBondContact CA-O 3.41Å; V21-R55 HydrophobicContact CG2-CB 4.36Å; Q22-R55 PolarHBondContact N-O 3.07Å; E53-R55 VanDerWaalsContact CD-NE 3.26Å; E53-R55 HydrophobicContact CG-CG 4.38Å; E53-R55 IonicContact OE1-CZ 3.58Å; E53-R55 VanDerWaalsContact OE1-CZ 3.29Å; E53-R55 IonicContact OE1-NE 2.6Å; E53-R55 PolarHBondContact OE1-NE 3.11Å; E53-R55 IonicContact OE1-NH2 3.56Å; E53-R55 PolarHBondContact OE1-NH2 3.1Å; E53-R55 VanDerWaalsContact OE1-NH2 3.08Å; E53-R55 IonicContact OE2-CZ 2.67Å; E53-R55 IonicContact OE2-NE 3.22Å; E53-R55 PolarHBondContact OE2-NE 3.26Å; E53-R55 IonicContact OE2-NH2 2.73Å; E53-R55 PolarHBondContact OE2-NH2 3.14Å; R55-N68 WeakPolarHBondContact CD-OD1 3.36Å; R55-N68 PolarHBondContact NH1-OD1 3.28Å
56V89.6Confident79Confident15 Ų1567 Ų679%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-112.5138.8-177.9-172.90000109.6Q22 M37 N68 Y576Q22-V56 CarbonylContact O-C 3.56Å; Q22-V56 WeakPolarHBondContact O-CA 3.49Å; M37-V56 HydrophobicContact CE-CG1 4.43Å; M37-V56 HydrophobicContact CE-CG2 3.38Å; M37-V56 HydrophobicContact SD-CG2 4.2Å; V56-N68 PolarHBondContact O-ND2 2.87Å; V56-Y576 VanDerWaalsContact CG1-OH 3.23Å; V56-Y576 WeakPolarHBondContact CG1-OH 3.43Å
57I90.4Very high80.7Confident0 Ų063.1 Ų63.10%035%0.354CS..EExtended strand (participates in β ladder)trans-131.9122.5176.4-58.5171.3000107.8V21 Q22 W23 N24 E62 N68 M69 L72V21-I57 HydrophobicContact CG1-CD1 3.61Å; V21-I57 HydrophobicContact CG1-CG1 4.19Å; Q22-I57 PolarHBondContact O-N 3.38Å; W23-I57 WeakPolarHBondContact CA-O 3.5Å; N24-I57 PolarHBondContact N-O 3.45Å; I57-E62 HydrophobicContact CG2-CG 4.22Å; I57-N68 HydrophobicContact CD1-CB 3.53Å; I57-N68 HydrophobicContact CG1-CB 3.54Å; I57-M69 HydrophobicContact CD1-SD 4.06Å; I57-M69 HydrophobicContact CG2-CG 4.3Å; I57-M69 HydrophobicContact CG2-SD 3.75Å; I57-L72 HydrophobicContact CD1-CD1 3.25Å; I57-L72 HydrophobicContact CD1-CG 4.13Å
58E89.1Confident81.5Confident16 Ų1658.1 Ų58.18%0.07533%0.332CS..EExtended strand (participates in β ladder)trans-87.7121.5172.3-52.7-68.217500108.8N24 R33 D60 A61 E62 Y576 K580N24-E58 PolarHBondContact ND2-OE2 3.12Å; R33-E58 IonicContact CZ-OE2 2.66Å; R33-E58 IonicContact NH1-OE2 3.07Å; R33-E58 PolarHBondContact NH1-OE2 3.33Å; E58-D60 VanDerWaalsContact CB-OD1 3.26Å; E58-D60 WeakPolarHBondContact CB-OD1 3.36Å; E58-D60 PolarHBondContact O-N 3.44Å; E58-A61 HydrophobicContact CB-CB 4.22Å; E58-A61 CarbonylContact O-C 3.55Å; E58-A61 PolarHBondContact O-N 3.31Å; E58-E62 WeakPolarHBondContact O-CA 3.37Å; E58-E62 PolarHBondContact O-N 2.92Å; E58-Y576 VanDerWaalsContact OE1-CE1 3.32Å; E58-Y576 WeakPolarHBondContact OE1-CE1 3.34Å; E58-Y576 PolarHBondContact OE1-OH 3.29Å; E58-K580 IonicContact OE1-NZ 3.31Å; E58-K580 PolarHBondContact OE1-NZ 3.4Å
59G84.6Confident82.4Confident14 Ų1456.3 Ų56.314%0.14433%0.327CS..THydrogen-bonded Turntrans-63.9-25.9-177.900000113.8N24 A61N24-G59 WeakPolarHBondContact O-CA 3.47Å; N24-G59 PolarHBondContact O-N 3.32Å; G59-A61 VanDerWaalsContact C-N 3.34Å
60D82Confident83.5Confident108 Ų10858.1 Ų58.158%0.57832%0.319SS*.THydrogen-bonded Turntrans-82.1-13.2175.262.4-20.6000113P26 E58P26-D60 HydrophobicContact CB-CB 4.14Å; E58-D60 VanDerWaalsContact CB-OD1 3.26Å; E58-D60 WeakPolarHBondContact CB-OD1 3.36Å; E58-D60 PolarHBondContact O-N 3.44Å
61A84.8Confident84.4Confident31 Ų3157.9 Ų57.926%0.25631%0.31SS..SBendtrans-135.936.7-179.100000112.7E58 G59 S63 S64E58-A61 HydrophobicContact CB-CB 4.22Å; E58-A61 CarbonylContact O-C 3.55Å; E58-A61 PolarHBondContact O-N 3.31Å; G59-A61 VanDerWaalsContact C-N 3.34Å; A61-S63 PolarHBondContact O-N 3.17Å; A61-S64 WeakPolarHBondContact O-CB 3.44Å; A61-S64 PolarHBondContact O-N 3.42Å; A61-S64 PolarHBondContact O-OG 3.24Å
62E84.8Confident85Confident39 Ų3947.2 Ų47.218%0.18227%0.27CS..G310 helixtrans-54-32.7-177.2-68.6-178.2168.500112.6W23 I57 E58 S64 S65 M69 R79W23-E62 PolarHBondContact NE1-OE1 3.13Å; I57-E62 HydrophobicContact CG2-CG 4.22Å; E58-E62 WeakPolarHBondContact O-CA 3.37Å; E58-E62 PolarHBondContact O-N 2.92Å; E62-S64 PolarHBondContact O-N 3.01Å; E62-S65 PolarHBondContact O-N 3.21Å; E62-S65 VanDerWaalsContact O-N 3.07Å; E62-M69 HydrophobicContact CB-CE 4.37Å; E62-M69 HydrophobicContact CB-CG 4.14Å; E62-M69 HydrophobicContact CB-SD 4.16Å; E62-M69 HydrophobicContact CG-CE 4.26Å; E62-M69 HydrophobicContact CG-SD 4.04Å; E62-M69 WeakPolarHBondContact OE2-CE 3.26Å; E62-R79 IonicContact OE1-CZ 3.76Å; E62-R79 IonicContact OE1-NE 3.29Å; E62-R79 PolarHBondContact OE1-NE 2.9Å; E62-R79 VanDerWaalsContact OE1-NE 3.1Å; E62-R79 IonicContact OE1-NH2 2.72Å; E62-R79 IonicContact OE2-NE 2.9Å
63S81.6Confident85.7Confident108 Ų10850.9 Ų50.976%0.75528%0.284SS*.G310 helixtrans-63.1-20.2176.557.20000113.9A61 S65A61-S63 PolarHBondContact O-N 3.17Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.26Å
64S81.9Confident85.8Confident90 Ų9052.8 Ų52.863%0.62930%0.297SS*.G310 helixtrans-78.8-9.4176.3-51.80000112.6A61 E62A61-S64 WeakPolarHBondContact O-CB 3.44Å; A61-S64 PolarHBondContact O-N 3.42Å; A61-S64 PolarHBondContact O-OG 3.24Å; E62-S64 PolarHBondContact O-N 3.01Å
65S84.1Confident86Confident32 Ų3255.2 Ų55.222%0.22431%0.312CS..  trans-136.757.6-178.5-62.80000112.5E62 S63 Q67 N68 M69E62-S65 PolarHBondContact O-N 3.21Å; E62-S65 VanDerWaalsContact O-N 3.07Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.26Å; S65-Q67 VanDerWaalsContact C-N 3.28Å; S65-Q67 PolarHBondContact O-N 3.07Å; S65-N68 PolarHBondContact O-N 2.76Å; S65-N68 VanDerWaalsContact O-N 3.08Å; S65-M69 PolarHBondContact O-N 3.44Å
66P83.5Confident86Confident88 Ų8853.5 Ų53.557%0.57131%0.307SS*.Hα-helixtrans-62.2-33.6-172.225-33.9000113.1M69 E70P66-M69 PolarHBondContact O-N 3.2Å; P66-E70 PolarHBondContact O-N 3.35Å
67Q82.8Confident85.9Confident114 Ų11454.4 Ų54.453%0.53332%0.319SS..Hα-helixtrans-68-35.3177.9-66.3168-5.100112.3S65 V71 L587S65-Q67 VanDerWaalsContact C-N 3.28Å; S65-Q67 PolarHBondContact O-N 3.07Å; Q67-V71 PolarHBondContact O-N 2.86Å; Q67-L587 VanDerWaalsContact OE1-CD2 3.25Å
68N85.2Confident85.7Confident25 Ų2561.5 Ų61.513%0.13435%0.352CS..Hα-helixtrans-77.3-35.5178.8-61.9-14000110.7R55 V56 I57 S65 E70 V71 L72R55-N68 WeakPolarHBondContact CD-OD1 3.36Å; R55-N68 PolarHBondContact NH1-OD1 3.28Å; V56-N68 PolarHBondContact O-ND2 2.87Å; I57-N68 HydrophobicContact CD1-CB 3.53Å; I57-N68 HydrophobicContact CG1-CB 3.54Å; S65-N68 PolarHBondContact O-N 2.76Å; S65-N68 VanDerWaalsContact O-N 3.08Å; N68-E70 VanDerWaalsContact C-N 3.3Å; N68-E70 PolarHBondContact O-N 3.3Å; N68-V71 WeakPolarHBondContact O-CB 3.32Å; N68-V71 PolarHBondContact O-N 2.72Å; N68-L72 PolarHBondContact O-N 2.67Å
69M87.9Confident85.6Confident27 Ų2763.9 Ų63.913%0.13336%0.361CS..Hα-helixtrans-64.2-33.4171.8-75.7-59.8-68.100112.7I57 E62 S65 P66 V71 L72 K73 R79I57-M69 HydrophobicContact CD1-SD 4.06Å; I57-M69 HydrophobicContact CG2-CG 4.3Å; I57-M69 HydrophobicContact CG2-SD 3.75Å; E62-M69 HydrophobicContact CB-CE 4.37Å; E62-M69 HydrophobicContact CB-CG 4.14Å; E62-M69 HydrophobicContact CB-SD 4.16Å; E62-M69 HydrophobicContact CG-CE 4.26Å; E62-M69 HydrophobicContact CG-SD 4.04Å; E62-M69 WeakPolarHBondContact OE2-CE 3.26Å; S65-M69 PolarHBondContact O-N 3.44Å; P66-M69 PolarHBondContact O-N 3.2Å; M69-V71 VanDerWaalsContact C-N 3.32Å; M69-V71 PolarHBondContact O-N 3.09Å; M69-L72 PolarHBondContact O-N 2.83Å; M69-L72 HydrophobicContact SD-CD1 3.81Å; M69-K73 WeakPolarHBondContact O-CB 3.31Å; M69-K73 PolarHBondContact O-N 3.32Å; M69-R79 HydrophobicContact CE-CB 4.28Å; M69-R79 HydrophobicContact CE-CG 4.16Å
70E87.6Confident85.6Confident95 Ų9565.7 Ų65.744%0.44437%0.37SS..Hα-helixtrans-65.2-36.2174-166.662.8-161.500111.8P66 N68 K73 N74P66-E70 PolarHBondContact O-N 3.35Å; N68-E70 VanDerWaalsContact C-N 3.3Å; N68-E70 PolarHBondContact O-N 3.3Å; E70-K73 PolarHBondContact O-N 3.47Å; E70-N74 VanDerWaalsContact O-CG 3.28Å; E70-N74 PolarHBondContact O-N 3.01Å; E70-N74 PolarHBondContact O-ND2 3.31Å
71V86.9Confident85.3Confident35 Ų3565.8 Ų65.821%0.21238%0.379CS..Hα-helixtrans-62.5-46.4173.3177.80000110.8L16 V21 Q67 N68 M69 K73 N74 V75L16-V71 HydrophobicContact CD1-CG1 3.53Å; V21-V71 HydrophobicContact CG2-CG1 4.22Å; Q67-V71 PolarHBondContact O-N 2.86Å; N68-V71 WeakPolarHBondContact O-CB 3.32Å; N68-V71 PolarHBondContact O-N 2.72Å; M69-V71 VanDerWaalsContact C-N 3.32Å; M69-V71 PolarHBondContact O-N 3.09Å; V71-K73 VanDerWaalsContact C-N 3.35Å; V71-K73 PolarHBondContact O-N 2.64Å; V71-N74 PolarHBondContact O-N 3.3Å; V71-V75 WeakPolarHBondContact O-CG2 3.36Å; V71-V75 PolarHBondContact O-N 3.46Å
72L85.9Confident85Confident1 Ų170.6 Ų70.61%0.00540%0.4CS..Hα-helixtrans-59.8-44.5174.1-85.5165.8000111.7W3 L14 V21 I57 N68 M69 N74 V75 L76W3-L72 HydrophobicContact CH2-CD1 4.1Å; W3-L72 HydrophobicContact CH2-CD2 4.33Å; W3-L72 HydrophobicContact CZ2-CB 4.17Å; L14-L72 HydrophobicContact CD2-CD2 3.62Å; V21-L72 HydrophobicContact CG1-CD1 4.38Å; V21-L72 HydrophobicContact CG1-CG 4.31Å; I57-L72 HydrophobicContact CD1-CD1 3.25Å; I57-L72 HydrophobicContact CD1-CG 4.13Å; N68-L72 PolarHBondContact O-N 2.67Å; M69-L72 PolarHBondContact O-N 2.83Å; M69-L72 HydrophobicContact SD-CD1 3.81Å; L72-N74 VanDerWaalsContact C-N 3.32Å; L72-N74 PolarHBondContact O-N 2.97Å; L72-V75 PolarHBondContact O-N 2.73Å; L72-V75 VanDerWaalsContact O-N 3.14Å; L72-L76 HydrophobicContact CD2-CD1 3.41Å; L72-L76 VanDerWaalsContact CD2-CD1 3.41Å; L72-L76 HydrophobicContact CD2-CG 4.27Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 PolarHBondContact O-N 2.9Å
73K88.9Confident85Confident85 Ų8569.6 Ų69.637%0.3740%0.396SS..Hα-helixtrans-59.7-42.1179.8-174.8179.5-179.31730111.9M69 E70 V71 V75 G77 E78M69-K73 WeakPolarHBondContact O-CB 3.31Å; M69-K73 PolarHBondContact O-N 3.32Å; E70-K73 PolarHBondContact O-N 3.47Å; V71-K73 VanDerWaalsContact C-N 3.35Å; V71-K73 PolarHBondContact O-N 2.64Å; K73-V75 PolarHBondContact O-N 2.82Å; K73-G77 WeakPolarHBondContact CA-O 3.48Å; K73-G77 CarbonylContact O-C 3.53Å; K73-G77 WeakPolarHBondContact O-CA 3.39Å; K73-G77 PolarHBondContact O-N 2.89Å; K73-E78 IonicContact NZ-OE1 3.53Å; K73-E78 PolarHBondContact NZ-OE1 2.87Å
74N87.5Confident85.2Confident123 Ų12368.1 Ų68.166%0.65838%0.384SS*.Hα-helixtrans-64.4-27.3178.6-74.4-36.6000113.4E70 V71 L72E70-N74 VanDerWaalsContact O-CG 3.28Å; E70-N74 PolarHBondContact O-N 3.01Å; E70-N74 PolarHBondContact O-ND2 3.31Å; V71-N74 PolarHBondContact O-N 3.3Å; L72-N74 VanDerWaalsContact C-N 3.32Å; L72-N74 PolarHBondContact O-N 2.97Å
75V87.8Confident85Confident59 Ų5968.4 Ų68.436%0.35838%0.379SS..Hα-helixtrans-98.4-42.6-176.9-1800000112.4M1 L14 L16 V71 L72 K73M1-V75 HydrophobicContact CE-CG1 4.14Å; L14-V75 HydrophobicContact CD1-CG1 4.47Å; L14-V75 HydrophobicContact CD2-CB 4.34Å; L14-V75 HydrophobicContact CD2-CG1 4.24Å; L16-V75 HydrophobicContact CD1-CG2 3.99Å; L16-V75 HydrophobicContact CD2-CB 4.48Å; L16-V75 HydrophobicContact CD2-CG1 4.01Å; L16-V75 HydrophobicContact CD2-CG2 3.8Å; V71-V75 WeakPolarHBondContact O-CG2 3.36Å; V71-V75 PolarHBondContact O-N 3.46Å; L72-V75 PolarHBondContact O-N 2.73Å; L72-V75 VanDerWaalsContact O-N 3.14Å; K73-V75 PolarHBondContact O-N 2.82Å
76L88.5Confident84.2Confident19 Ų1967.7 Ų67.710%0.09938%0.377CS..Hα-helixtrans-102.5-12.4-171.6-57-178.7000113.5M1 W3 F6 L14 L72M1-L76 HydrophobicContact CB-CD2 3.63Å; W3-L76 HydrophobicContact CD2-CB 4.39Å; W3-L76 HydrophobicContact CD2-CD1 4.16Å; W3-L76 HydrophobicContact CE3-CD1 4.46Å; W3-L76 HydrophobicContact CG-CB 4.31Å; W3-L76 HydrophobicContact CH2-CD1 4.33Å; W3-L76 HydrophobicContact CZ2-CB 4.45Å; W3-L76 HydrophobicContact CZ2-CD1 4.05Å; F6-L76 HydrophobicContact CE2-CD1 3.63Å; F6-L76 HydrophobicContact CZ-CD1 3.67Å; L14-L76 HydrophobicContact CD1-CD2 4.3Å; L14-L76 HydrophobicContact CD2-CD1 4.46Å; L14-L76 HydrophobicContact CD2-CG 4.43Å; L72-L76 HydrophobicContact CD2-CD1 3.41Å; L72-L76 VanDerWaalsContact CD2-CD1 3.41Å; L72-L76 HydrophobicContact CD2-CG 4.27Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 PolarHBondContact O-N 2.9Å
77G88.1Confident83.2Confident33 Ų3368.8 Ų68.834%0.3438%0.382SS..  trans85.4-173-171.300000112.8W3 K73 R79W3-G77 PolarHBondContact NE1-O 2.88Å; K73-G77 WeakPolarHBondContact CA-O 3.48Å; K73-G77 CarbonylContact O-C 3.53Å; K73-G77 WeakPolarHBondContact O-CA 3.39Å; K73-G77 PolarHBondContact O-N 2.89Å; G77-R79 PolarHBondContact O-N 2.77Å
78E86.6Confident81.9Confident149 Ų14967 Ų6770%0.69638%0.38SS*.SBendtrans-58.9133.9-178.9-61.7-147.4137.300111.9K73 P80K73-E78 IonicContact NZ-OE1 3.53Å; K73-E78 PolarHBondContact NZ-OE1 2.87Å; E78-P80 VanDerWaalsContact O-CD 3.29Å; E78-P80 WeakPolarHBondContact O-CD 3.04Å
79R86.3Confident80.2Confident66 Ų6671.6 Ų71.625%0.24941%0.405CS..PPolyproline II helixtrans-61117.7174.6177.968.4179.382.5-1.3108.9W3 E62 M69 G77W3-R79 HydrophobicContact CZ2-CB 4.2Å; W3-R79 HydrophobicContact CZ2-CG 4.47Å; W3-R79 VanDerWaalsContact CZ3-CD 3.5Å; E62-R79 IonicContact OE1-CZ 3.76Å; E62-R79 IonicContact OE1-NE 3.29Å; E62-R79 PolarHBondContact OE1-NE 2.9Å; E62-R79 VanDerWaalsContact OE1-NE 3.1Å; E62-R79 IonicContact OE1-NH2 2.72Å; E62-R79 IonicContact OE2-NE 2.9Å; M69-R79 HydrophobicContact CE-CB 4.28Å; M69-R79 HydrophobicContact CE-CG 4.16Å; G77-R79 PolarHBondContact O-N 2.77Å
80P85.3Confident78.2Confident52 Ų5272.3 Ų72.334%0.33841%0.409SS..PPolyproline II helixtrans-61.9155.5175.4-21.633.1000111W3 E78 D82W3-P80 HydrophobicContact CB-CG 3.78Å; W3-P80 VanDerWaalsContact CG-CD 3.48Å; W3-P80 HydrophobicContact CG-CG 4.1Å; E78-P80 VanDerWaalsContact O-CD 3.29Å; E78-P80 WeakPolarHBondContact O-CD 3.04Å; P80-D82 VanDerWaalsContact C-N 3.28Å; P80-D82 PolarHBondContact O-N 3.08Å
81S75.4Confident76.1Confident111 Ų11172 Ų7278%0.77641%0.414SS*.SBendtrans-65.6-34173.648.20000112.4
82D78.8Confident73.9Confident131 Ų13175.4 Ų75.470%0.70143%0.434SS*.  trans-125.9124.6-172.1-55.2-66.3000110.2P80P80-D82 VanDerWaalsContact C-N 3.28Å; P80-D82 PolarHBondContact O-N 3.08Å
83L84.9Confident71.8Confident18 Ų1878.9 Ų78.99%0.09445%0.453CS..PPolyproline II helixtrans-103.1148.3163.8-70.9176.1000108.7W3 F6 L8 W23W3-L83 HydrophobicContact CE3-CD2 4.43Å; F6-L83 HydrophobicContact CB-CD1 3.87Å; F6-L83 HydrophobicContact CB-CD2 3.92Å; L8-L83 HydrophobicContact CD2-CB 3.87Å; L8-L83 HydrophobicContact CD2-CD1 4.32Å; L8-L83 HydrophobicContact CG-CB 4.02Å; W23-L83 HydrophobicContact CH2-CD1 3.57Å; W23-L83 HydrophobicContact CZ2-CD1 3.95Å; W23-L83 HydrophobicContact CZ3-CD1 4.43Å
84P85.2Confident69.4Low78 Ų7882.1 Ų82.151%0.50647%0.47SS..PPolyproline II helixtrans-61.4151.9172.128.7-34.6000110.4F6 N7 L8F6-P84 WeakPolarHBondContact O-CD 3.3Å; N7-P84 CarbonylContact C-O 3.52Å; N7-P84 VanDerWaalsContact CA-O 3.24Å; N7-P84 WeakPolarHBondContact CA-O 3.17Å; N7-P84 HydrophobicContact CB-CG 4.23Å; N7-P84 WeakPolarHBondContact CB-O 3.29Å; L8-P84 PolarHBondContact N-O 3.31Å
85D78.3Confident67.3Low95 Ų9584.4 Ų84.451%0.50848%0.476SS..PPolyproline II helixtrans-62.2148.1162.6-82-30.2000109.9K27K27-D85 WeakPolarHBondContact CE-OD1 3.21Å; K27-D85 VanDerWaalsContact NZ-CG 3.26Å; K27-D85 IonicContact NZ-OD1 2.6Å; K27-D85 PolarHBondContact NZ-OD1 2.77Å; K27-D85 IonicContact NZ-OD2 3.35Å; K27-D85 PolarHBondContact NZ-OD2 3.44Å
86G67.6Low65.2Low18 Ų1883.9 Ų83.919%0.18647%0.473CS..PPolyproline II helixtrans-56.7146.317100000110P88G86-P88 WeakPolarHBondContact O-CD 3.33Å
87T62.3Low63.1Low110 Ų11089.5 Ų89.568%0.67550%0.497SS*.PPolyproline II helixtrans-57.7124.7167.414.50000108D89T87-D89 PolarHBondContact O-N 3.44Å
88P54.5Low61.5Low78 Ų7891.1 Ų91.151%0.50651%0.514SS..PPolyproline II helixtrans-59.7124.5171.8-19.731.4000108.7G86 D90 T91G86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-D90 HydrophobicContact CB-CB 4.35Å; P88-D90 PolarHBondContact O-N 2.81Å; P88-T91 PolarHBondContact O-N 2.98Å; P88-T91 VanDerWaalsContact O-N 3.15Å; P88-T91 PolarHBondContact O-OG1 2.79Å; P88-T91 VanDerWaalsContact O-OG1 3.06Å
89D50.5Low60.3Low121 Ų12189.3 Ų89.365%0.64750%0.503SS*.THydrogen-bonded Turntrans-51.8-24.3178.8-64.7-37.6000112.2T87 T91 V92T87-D89 PolarHBondContact O-N 3.44Å; D89-T91 VanDerWaalsContact C-N 3.32Å; D89-T91 PolarHBondContact O-N 3.49Å; D89-V92 PolarHBondContact O-N 3.21Å
90D45.7Very low59.9Low41 Ų4187 Ų8722%0.21950%0.496CS..Hα-helixtrans-54.3-32.8177-55.8-11.5000115.7P88 V92 D93 Q94 I483P88-D90 HydrophobicContact CB-CB 4.35Å; P88-D90 PolarHBondContact O-N 2.81Å; D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 2.92Å; D90-D93 PolarHBondContact O-N 3.37Å; D90-Q94 PolarHBondContact O-N 3.36Å; D90-Q94 VanDerWaalsContact O-N 3.11Å; D90-I483 VanDerWaalsContact CG-CD1 3.48Å; D90-I483 WeakPolarHBondContact OD1-CD1 3.28Å; D90-I483 WeakPolarHBondContact OD2-CD1 3.38Å
91T42.4Very low60Low89 Ų8984.7 Ų84.755%0.54648%0.481SS..Hα-helixtrans-71.8-19-175.5330000113.7P88 D89P88-T91 PolarHBondContact O-N 2.98Å; P88-T91 VanDerWaalsContact O-N 3.15Å; P88-T91 PolarHBondContact O-OG1 2.79Å; P88-T91 VanDerWaalsContact O-OG1 3.06Å; D89-T91 VanDerWaalsContact C-N 3.32Å; D89-T91 PolarHBondContact O-N 3.49Å
92V42.3Very low60.7Low106 Ų10679.5 Ų79.564%0.64244%0.444SS*.Hα-helixtrans-92.6-29177.1-177.30000111.2D89 D90 T96D89-V92 PolarHBondContact O-N 3.21Å; D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 2.92Å; V92-T96 PolarHBondContact O-OG1 2.83Å
93D40.3Very low61.3Low74 Ų7473.9 Ų73.940%0.39641%0.413SS..Hα-helixtrans-93.3-28.6-173.5-90.25.2000114.7D90 T96D90-D93 PolarHBondContact O-N 3.37Å; D93-T96 PolarHBondContact O-N 2.92Å
94Q39.5Very low61.5Low154 Ų15478.3 Ų78.372%0.7243%0.429SS*.G310 helixtrans-74.9-26.4177.6-89.9-178.5-12.800114.1D90 T96D90-Q94 PolarHBondContact O-N 3.36Å; D90-Q94 VanDerWaalsContact O-N 3.11Å; Q94-T96 PolarHBondContact O-N 3.3Å
95E42.5Very low61.6Low170 Ų17074.6 Ų74.679%0.79441%0.405SS*.G310 helixtrans-73.1-13.1174.7-68.2-165.3155.100112.6
96T44.3Very low61.7Low48 Ų4870.7 Ų70.729%0.29439%0.385SS..G310 helixtrans-99.9-9.8-165-520000113.7V92 D93 Q94 S140V92-T96 PolarHBondContact O-OG1 2.83Å; D93-T96 PolarHBondContact O-N 2.92Å; Q94-T96 PolarHBondContact O-N 3.3Å; T96-S140 VanDerWaalsContact CG2-CB 3.42Å
97K43.8Very low62.1Low138 Ų13872.1 Ų72.160%0.639%0.388SS*.SBendtrans-107120.4-175.3-70.4177.2-179.2172.20111.7V484K97-V484 PolarHBondContact NZ-O 2.94Å
98G54.2Low62.6Low67 Ų6771 Ų7169%0.69139%0.39SS*.SBendtrans141.1-9.8144.500000120.3
99K61.9Low63.2Low111 Ų11173 Ų7348%0.48340%0.397SS..  trans-133.291.3-179.6-158.4-177.7175.9-1750113.4T101K99-T101 PolarHBondContact O-N 3.14Å
100L78.4Confident63.9Low17 Ų1770.7 Ų70.79%0.08940%0.401CS..EExtended strand (participates in β ladder)trans-71.1118.3164.5-75.1166.2000108.7S119 N120 L122 L135 D136 Q137 L192 P537L100-S119 CarbonylContact O-C 3.59Å; L100-S119 VanDerWaalsContact O-CA 3.26Å; L100-S119 WeakPolarHBondContact O-CA 3.36Å; L100-N120 HydrophobicContact CB-CB 4.4Å; L100-N120 PolarHBondContact O-N 2.78Å; L100-L122 HydrophobicContact CB-CD1 4.32Å; L100-L135 HydrophobicContact CD2-CD1 4.31Å; L100-L135 HydrophobicContact CD2-CG 4.48Å; L100-D136 WeakPolarHBondContact CA-O 3.48Å; L100-Q137 HydrophobicContact CD2-CB 3.99Å; L100-Q137 HydrophobicContact CD2-CG 3.86Å; L100-L192 HydrophobicContact CD1-CB 4.27Å; L100-L192 HydrophobicContact CD1-CD2 4.02Å; L100-L192 HydrophobicContact CD2-CD1 4.43Å; L100-L192 HydrophobicContact CD2-CD2 4.07Å; L100-P537 HydrophobicContact CD1-CB 4.43Å
101T86.4Confident65Low4 Ų475.5 Ų75.53%0.02542%0.422CS..EExtended strand (participates in β ladder)trans-126125.1178.8-45.80000110K99 Y103 E116 D136K99-T101 PolarHBondContact O-N 3.14Å; T101-Y103 HydrophobicContact CG2-CD2 4.27Å; T101-Y103 HydrophobicContact CG2-CE1 4.15Å; T101-Y103 HydrophobicContact CG2-CE2 3.52Å; T101-Y103 VanDerWaalsContact CG2-CZ 3.44Å; T101-E116 HydrophobicContact CG2-CG 3.58Å; T101-D136 PolarHBondContact N-O 3.39Å; T101-D136 PolarHBondContact O-N 3.28Å
102L90.5Very high66.6Low1 Ų173 Ų731%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-98.6129.2178.5-173.770.1000109.9I117 A118 L122 L126 L127 F133 L135L102-I117 HydrophobicContact CD2-CD1 4.39Å; L102-I117 HydrophobicContact CG-CD1 4.45Å; L102-I117 PolarHBondContact O-N 2.74Å; L102-A118 PolarHBondContact N-O 3.3Å; L102-A118 PolarHBondContact O-N 3.32Å; L102-L122 HydrophobicContact CB-CD1 4.16Å; L102-L122 HydrophobicContact CB-CD2 3.91Å; L102-L126 HydrophobicContact CD2-CB 3.67Å; L102-L126 HydrophobicContact CD2-CD1 4.24Å; L102-L127 HydrophobicContact CD1-CD2 4.08Å; L102-L127 HydrophobicContact CD2-CD2 4.27Å; L102-F133 HydrophobicContact CD1-CB 3.99Å; L102-F133 HydrophobicContact CD1-CD1 4.19Å; L102-F133 HydrophobicContact CD2-CD1 4.14Å; L102-F133 HydrophobicContact CG-CD1 4.12Å; L102-L135 HydrophobicContact CB-CD1 4.29Å; L102-L135 HydrophobicContact CD1-CB 4.08Å; L102-L135 HydrophobicContact CD1-CD1 4.14Å
103Y91.4Very high68.4Low13 Ų1372.7 Ų72.75%0.05139%0.394CS..EExtended strand (participates in β ladder)trans-119.7141.2177.6-55.5-99.2000110.6T101 V114 A115 E116 F133 I134 D136 F165 K169T101-Y103 HydrophobicContact CG2-CD2 4.27Å; T101-Y103 HydrophobicContact CG2-CE1 4.15Å; T101-Y103 HydrophobicContact CG2-CE2 3.52Å; T101-Y103 VanDerWaalsContact CG2-CZ 3.44Å; Y103-V114 HydrophobicContact CD1-CG1 4.12Å; Y103-V114 HydrophobicContact CG-CG1 4.11Å; Y103-A115 CarbonylContact C-O 3.56Å; Y103-A115 WeakPolarHBondContact CA-O 3.48Å; Y103-E116 HydrophobicContact CD1-CB 3.79Å; Y103-E116 HydrophobicContact CD1-CG 4.36Å; Y103-E116 HydrophobicContact CE1-CB 3.75Å; Y103-E116 HydrophobicContact CE1-CG 4.07Å; Y103-F133 CarbonylContact O-C 3.55Å; Y103-F133 WeakPolarHBondContact O-CA 3.31Å; Y103-I134 PolarHBondContact N-O 3.4Å; Y103-I134 PolarHBondContact O-N 3.39Å; Y103-D136 HydrophobicContact CD2-CB 4.36Å; Y103-D136 HydrophobicContact CE2-CB 3.75Å; Y103-F165 HydrophobicContact CD1-CE2 4.11Å; Y103-F165 HydrophobicContact CD2-CE2 4.13Å; Y103-F165 AromaticContact CD2-CZ 3.93Å; Y103-F165 HydrophobicContact CD2-CZ 3.93Å; Y103-F165 AromaticContact CE1-CE2 3.87Å; Y103-F165 HydrophobicContact CE1-CE2 3.87Å; Y103-F165 HydrophobicContact CE1-CZ 4.03Å; Y103-F165 HydrophobicContact CE2-CE1 4.27Å; Y103-F165 AromaticContact CE2-CE2 3.89Å; Y103-F165 HydrophobicContact CE2-CE2 3.89Å; Y103-F165 AromaticContact CE2-CZ 3.35Å; Y103-F165 HydrophobicContact CE2-CZ 3.35Å; Y103-F165 HydrophobicContact CG-CE2 4.24Å; Y103-F165 HydrophobicContact CG-CZ 4.49Å; Y103-F165 AromaticContact CZ-CE2 3.75Å; Y103-F165 AromaticContact CZ-CZ 3.41Å; Y103-F165 VanDerWaalsContact CZ-CZ 3.41Å; Y103-K169 PolarHBondContact OH-NZ 3.48Å; Y103-K169 VanDerWaalsContact OH-NZ 3.13Å
104R89.6Confident70.5Confident111 Ų11171.6 Ų71.642%0.41939%0.391SS..EExtended strand (participates in β ladder)trans-89134.6170.9-156.3170.556-173.8-1.4110.2V114 A115 I117 D131 F133R104-V114 CarbonylContact O-C 3.5Å; R104-V114 VanDerWaalsContact O-CA 3.3Å; R104-V114 WeakPolarHBondContact O-CA 3.5Å; R104-A115 PolarHBondContact N-O 3.3Å; R104-A115 PolarHBondContact O-N 3.45Å; R104-I117 HydrophobicContact CB-CD1 3.51Å; R104-I117 HydrophobicContact CB-CG1 3.8Å; R104-I117 HydrophobicContact CG-CD1 4.14Å; R104-D131 HydrophobicContact CG-CB 4.05Å; R104-F133 HydrophobicContact CG-CE1 4.13Å; R104-F133 HydrophobicContact CG-CZ 4.31Å
105V86.6Confident72.6Confident0 Ų066.5 Ų66.50%037%0.374CS..EExtended strand (participates in β ladder)trans-106.8109166.4-173.10000107.6M112 K113 V114 C132 I134 R161V105-M112 HydrophobicContact CG1-CG 4.08Å; V105-M112 HydrophobicContact CG1-SD 4.2Å; V105-K113 WeakPolarHBondContact CA-O 3.34Å; V105-V114 HydrophobicContact CG2-CG2 4.33Å; V105-C132 WeakPolarHBondContact CA-O 3.3Å; V105-C132 HydrophobicContact CB-CB 4.09Å; V105-C132 PolarHBondContact N-O 3.18Å; V105-C132 PolarHBondContact O-N 3.18Å; V105-I134 HydrophobicContact CG2-CD1 3.66Å; V105-I134 HydrophobicContact CG2-CG1 3.73Å; V105-R161 HydrophobicContact CG1-CG 4.47Å
106S80.3Confident74.8Confident14 Ų1463.4 Ų63.410%0.09836%0.36CS..EExtended strand (participates in β ladder)trans-140.9147.3-177.5-174.40000111.2A108 K113 D131 E154S106-A108 PolarHBondContact OG-N 2.94Å; S106-K113 PolarHBondContact N-O 3.21Å; S106-K113 PolarHBondContact O-N 3.44Å; S106-D131 WeakPolarHBondContact CB-OD1 3.47Å; S106-D131 PolarHBondContact OG-OD1 3.48Å; S106-E154 WeakPolarHBondContact CA-OE1 3.38Å
107D77.2Confident76.8Confident48 Ų4864.4 Ų64.426%0.25736%0.363SS..  trans-108.311.9174.867.511.4000114.6D109 G110 M112 N151 E154D107-D109 PolarHBondContact O-N 3.38Å; D107-G110 PolarHBondContact O-N 2.98Å; D107-M112 HydrophobicContact CB-CE 3.71Å; D107-N151 PolarHBondContact OD1-ND2 3.21Å; D107-N151 PolarHBondContact OD2-ND2 3.5Å; D107-E154 PolarHBondContact N-OE1 3.35Å; D107-E154 VanDerWaalsContact N-OE1 3.16Å
108A72.5Confident78.7Confident85 Ų8558.8 Ų58.870%0.70234%0.342SS*.THydrogen-bonded Turntrans-53.5-25.8-17500000115.1S106 G110S106-A108 PolarHBondContact OG-N 2.94Å; A108-G110 VanDerWaalsContact C-N 3.35Å
109D67Low80Confident122 Ų12257.9 Ų57.965%0.65233%0.326SS*.THydrogen-bonded Turntrans-89.28.3177.3-66-26.6000113.9D107 Q111 K113D107-D109 PolarHBondContact O-N 3.38Å; D109-Q111 PolarHBondContact O-N 2.83Å; D109-K113 IonicContact OD2-NZ 3.37Å; D109-K113 PolarHBondContact OD2-NZ 3.06Å
110G64.9Low80.3Confident71 Ų7156.2 Ų56.273%0.73232%0.322SS*.SBendtrans78.31.8-17400000114.7D107 A108D107-G110 PolarHBondContact O-N 2.98Å; A108-G110 VanDerWaalsContact C-N 3.35Å
111Q69.6Low79.6Confident143 Ų14359.6 Ų59.667%0.66835%0.345SS*.SBendtrans-137136.6169.9-68.2-175.69.200109.7D109 K113D109-Q111 PolarHBondContact O-N 2.83Å; Q111-K113 PolarHBondContact O-N 3.48Å
112M74.6Confident79.1Confident35 Ų3559.5 Ų59.517%0.17234%0.344CS..  trans-74.7116.5-178.5-168.3154-72.700111.8V105 D107 A153 E154 A157 R161V105-M112 HydrophobicContact CG1-CG 4.08Å; V105-M112 HydrophobicContact CG1-SD 4.2Å; D107-M112 HydrophobicContact CB-CE 3.71Å; M112-A153 HydrophobicContact CE-CB 4.39Å; M112-E154 HydrophobicContact CE-CB 4.24Å; M112-E154 HydrophobicContact CE-CG 3.65Å; M112-A157 HydrophobicContact CE-CB 4.21Å; M112-A157 HydrophobicContact SD-CB 3.13Å; M112-A157 WeakPolarHBondContact SD-CB 3.42Å; M112-R161 PolarHBondContact O-NH2 2.87Å; M112-R161 VanDerWaalsContact O-NH2 3.13Å
113K80.2Confident78.6Confident100 Ų10062.1 Ų62.144%0.43536%0.36SS..EExtended strand (participates in β ladder)trans-120.5149.8-176.8-65.4175-170.4166.70111.1V105 S106 D109 Q111V105-K113 WeakPolarHBondContact CA-O 3.34Å; S106-K113 PolarHBondContact N-O 3.21Å; S106-K113 PolarHBondContact O-N 3.44Å; D109-K113 IonicContact OD2-NZ 3.37Å; D109-K113 PolarHBondContact OD2-NZ 3.06Å; Q111-K113 PolarHBondContact O-N 3.48Å
114V84.3Confident78Confident52 Ų5263.6 Ų63.632%0.31537%0.367SS..EExtended strand (participates in β ladder)trans-106.6116.7168.9-175.60000106.9Y103 R104 V105 I134 R161 F165Y103-V114 HydrophobicContact CD1-CG1 4.12Å; Y103-V114 HydrophobicContact CG-CG1 4.11Å; R104-V114 CarbonylContact O-C 3.5Å; R104-V114 VanDerWaalsContact O-CA 3.3Å; R104-V114 WeakPolarHBondContact O-CA 3.5Å; V105-V114 HydrophobicContact CG2-CG2 4.33Å; V114-I134 HydrophobicContact CG1-CD1 4.32Å; V114-I134 HydrophobicContact CG2-CD1 4.44Å; V114-R161 HydrophobicContact CG2-CB 4.13Å; V114-R161 HydrophobicContact CG2-CG 4.3Å; V114-F165 HydrophobicContact CG1-CD2 4.33Å; V114-F165 HydrophobicContact CG1-CE2 4.48Å
115A85.2Confident77.7Confident46 Ų4665.2 Ų65.238%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-123.5132-17800000110.4Y103 R104 I117Y103-A115 CarbonylContact C-O 3.56Å; Y103-A115 WeakPolarHBondContact CA-O 3.48Å; R104-A115 PolarHBondContact N-O 3.3Å; R104-A115 PolarHBondContact O-N 3.45Å; A115-I117 PolarHBondContact O-N 2.57Å
116E88.6Confident77.7Confident105 Ų10567.4 Ų67.449%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-65.2130.7174.2-172.3170.315300109.9T101 Y103T101-E116 HydrophobicContact CG2-CG 3.58Å; Y103-E116 HydrophobicContact CD1-CB 3.79Å; Y103-E116 HydrophobicContact CD1-CG 4.36Å; Y103-E116 HydrophobicContact CE1-CB 3.75Å; Y103-E116 HydrophobicContact CE1-CG 4.07Å
117I86.6Confident78.1Confident69 Ų6967.4 Ų67.435%0.35439%0.394SS..EExtended strand (participates in β ladder)trans-104.2-49179.9-50.8-178.7000110.2L102 R104 A115 L126 F133L102-I117 HydrophobicContact CD2-CD1 4.39Å; L102-I117 HydrophobicContact CG-CD1 4.45Å; L102-I117 PolarHBondContact O-N 2.74Å; R104-I117 HydrophobicContact CB-CD1 3.51Å; R104-I117 HydrophobicContact CB-CG1 3.8Å; R104-I117 HydrophobicContact CG-CD1 4.14Å; A115-I117 PolarHBondContact O-N 2.57Å; I117-L126 HydrophobicContact CG2-CD2 4.26Å; I117-F133 HydrophobicContact CD1-CD1 3.5Å; I117-F133 HydrophobicContact CD1-CE1 3.22Å; I117-F133 HydrophobicContact CD1-CZ 4.42Å
118A82.8Confident78.6Confident20 Ų2067.8 Ų67.817%0.16540%0.399CS..EExtended strand (participates in β ladder)trans-157.7149.8-174.300000110.1L102 L122 L126L102-A118 PolarHBondContact N-O 3.3Å; L102-A118 PolarHBondContact O-N 3.32Å; A118-L122 HydrophobicContact CB-CD2 3.72Å; A118-L126 HydrophobicContact CB-CD1 3.75Å
119S80.6Confident79.5Confident49 Ų4967.3 Ų67.334%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-105.5164.3157.255.80000109.2L100L100-S119 CarbonylContact O-C 3.59Å; L100-S119 VanDerWaalsContact O-CA 3.26Å; L100-S119 WeakPolarHBondContact O-CA 3.36Å
120N69.1Low80.5Confident75 Ų7565.6 Ų65.640%0.40137%0.373SS..SBendtrans-37.2138.7175.858-37000114.4L100L100-N120 HydrophobicContact CB-CB 4.4Å; L100-N120 PolarHBondContact O-N 2.78Å
121P63.8Low81.6Confident88 Ų8863.3 Ų63.357%0.57134%0.343SS*.SBendcis-77.5140.4-0.931.2-33.7000113
122L76Confident82.6Confident3 Ų356.5 Ų56.52%0.01631%0.312CS..  trans-98.5135.6178.2-59.2178.5000110.5L100 L102 A118 L126 L135 F193 Q194L100-L122 HydrophobicContact CB-CD1 4.32Å; L102-L122 HydrophobicContact CB-CD1 4.16Å; L102-L122 HydrophobicContact CB-CD2 3.91Å; A118-L122 HydrophobicContact CB-CD2 3.72Å; L122-L126 HydrophobicContact CB-CD1 4.27Å; L122-L126 HydrophobicContact CD2-CD1 3.89Å; L122-L135 HydrophobicContact CD1-CD1 3.31Å; L122-F193 HydrophobicContact CB-CD1 3.72Å; L122-F193 HydrophobicContact CB-CE1 4.03Å; L122-F193 HydrophobicContact CB-CG 4.4Å; L122-F193 HydrophobicContact CD1-CE1 4.42Å; L122-F193 CarbonylContact O-C 3.56Å; L122-F193 VanDerWaalsContact O-CA 3.26Å; L122-F193 WeakPolarHBondContact O-CA 3.13Å; L122-Q194 PolarHBondContact O-N 3.28Å
123V79.6Confident83.5Confident55 Ų5554.9 Ų54.933%0.33330%0.304SS..  trans-109.9147.1173.6-62.70000110.5D125 L126 Q194V123-D125 HydrophobicContact CG2-CB 4.44Å; V123-D125 PolarHBondContact O-N 2.98Å; V123-D125 VanDerWaalsContact O-N 3.13Å; V123-L126 HydrophobicContact CG2-CD1 4.17Å; V123-L126 HydrophobicContact CG2-CD2 4.44Å; V123-L126 HydrophobicContact CG2-CG 3.79Å; V123-L126 VanDerWaalsContact O-CB 3.31Å; V123-L126 WeakPolarHBondContact O-CB 3.43Å; V123-L126 WeakPolarHBondContact O-CG 3.34Å; V123-L126 PolarHBondContact O-N 3.12Å; V123-Q194 HydrophobicContact CG1-CB 4.5Å
124Q79.2Confident84.1Confident45 Ų4550.1 Ų50.121%0.2128%0.283CS..G310 helixtrans-54.5-34.1-176.9-176.1-177.611.800112.8L126 L127 K195 W196 T197Q124-L126 PolarHBondContact O-N 2.79Å; Q124-L127 PolarHBondContact O-N 3.49Å; Q124-K195 WeakPolarHBondContact CB-O 3.32Å; Q124-W196 HydrophobicContact CB-CE3 4.33Å; Q124-W196 HydrophobicContact CG-CD2 4.21Å; Q124-W196 HydrophobicContact CG-CE3 4.03Å; Q124-W196 HydrophobicContact CG-CH2 4.33Å; Q124-W196 HydrophobicContact CG-CZ2 4.5Å; Q124-W196 HydrophobicContact CG-CZ3 4.1Å; Q124-T197 PolarHBondContact NE2-O 2.82Å; Q124-T197 PolarHBondContact OE1-O 2.83Å; Q124-T197 PolarHBondContact OE1-OG1 3.23Å
125D83.8Confident84.4Confident145 Ų14547.7 Ų47.778%0.77527%0.268SS*.G310 helixtrans-62-14.8180-65.1-14.1000114V123 L127V123-D125 HydrophobicContact CG2-CB 4.44Å; V123-D125 PolarHBondContact O-N 2.98Å; V123-D125 VanDerWaalsContact O-N 3.13Å; D125-L127 PolarHBondContact O-N 3.22Å
126L85.6Confident84.6Confident46 Ų4645.6 Ų45.624%0.24125%0.251CS..G310 helixtrans-69.4-23.1173.2-62.6172.3000112.4L102 I117 A118 L122 V123 Q124 T128 F133L102-L126 HydrophobicContact CD2-CB 3.67Å; L102-L126 HydrophobicContact CD2-CD1 4.24Å; I117-L126 HydrophobicContact CG2-CD2 4.26Å; A118-L126 HydrophobicContact CB-CD1 3.75Å; L122-L126 HydrophobicContact CB-CD1 4.27Å; L122-L126 HydrophobicContact CD2-CD1 3.89Å; V123-L126 HydrophobicContact CG2-CD1 4.17Å; V123-L126 HydrophobicContact CG2-CD2 4.44Å; V123-L126 HydrophobicContact CG2-CG 3.79Å; V123-L126 VanDerWaalsContact O-CB 3.31Å; V123-L126 WeakPolarHBondContact O-CB 3.43Å; V123-L126 WeakPolarHBondContact O-CG 3.34Å; V123-L126 PolarHBondContact O-N 3.12Å; Q124-L126 PolarHBondContact O-N 2.79Å; L126-T128 PolarHBondContact O-N 3.4Å; L126-F133 WeakPolarHBondContact O-CE1 3.26Å; L126-F133 WeakPolarHBondContact O-CZ 3.41Å
127L88.6Confident84.3Confident13 Ų1343.7 Ų43.77%0.06824%0.242CC..SBendtrans-8898.3177.1-64.8176000110.1L102 Q124 D125 F133 W145 F189 F193 W196L102-L127 HydrophobicContact CD1-CD2 4.08Å; L102-L127 HydrophobicContact CD2-CD2 4.27Å; Q124-L127 PolarHBondContact O-N 3.49Å; D125-L127 PolarHBondContact O-N 3.22Å; L127-F133 HydrophobicContact CD2-CB 3.88Å; L127-F133 HydrophobicContact CD2-CD1 3.93Å; L127-F133 HydrophobicContact CD2-CD2 3.94Å; L127-F133 HydrophobicContact CD2-CE1 4.43Å; L127-F133 HydrophobicContact CD2-CE2 4.48Å; L127-F133 HydrophobicContact CD2-CG 3.65Å; L127-W145 HydrophobicContact CB-CE3 4.43Å; L127-W145 HydrophobicContact CB-CH2 4Å; L127-W145 HydrophobicContact CB-CZ2 4.15Å; L127-W145 HydrophobicContact CB-CZ3 4.17Å; L127-W145 HydrophobicContact CD1-CD2 4.15Å; L127-W145 HydrophobicContact CD1-CG 4.29Å; L127-W145 HydrophobicContact CD1-CZ2 4.39Å; L127-W145 HydrophobicContact CD2-CB 4.49Å; L127-W145 HydrophobicContact CD2-CD2 4.07Å; L127-W145 HydrophobicContact CD2-CE3 4.04Å; L127-W145 HydrophobicContact CD2-CG 4.3Å; L127-F189 HydrophobicContact CD1-CE1 3.84Å; L127-F189 HydrophobicContact CD1-CZ 3.99Å; L127-F193 HydrophobicContact CD1-CE1 3.86Å; L127-F193 HydrophobicContact CD1-CE2 4.21Å; L127-F193 HydrophobicContact CD1-CZ 3.56Å; L127-F193 HydrophobicContact CD2-CZ 4.31Å; L127-F193 HydrophobicContact CG-CE1 3.95Å; L127-F193 HydrophobicContact CG-CZ 4.01Å; L127-W196 HydrophobicContact CD1-CH2 3.69Å; L127-W196 HydrophobicContact CD1-CZ3 3.78Å
128T89Confident83.6Confident56 Ų5641.5 Ų41.534%0.34424%0.236SC..  trans-78.5138.9173.462.70000110.2L126 D130 D131 F133 W145L126-T128 PolarHBondContact O-N 3.4Å; T128-D130 PolarHBondContact O-N 3.09Å; T128-D131 PolarHBondContact OG1-OD2 3.21Å; T128-D131 VanDerWaalsContact OG1-OD2 3.07Å; T128-F133 VanDerWaalsContact N-CZ 3.3Å; T128-F133 WeakPolarHBondContact O-CE2 3.4Å; T128-F133 VanDerWaalsContact OG1-CZ 3.29Å; T128-F133 WeakPolarHBondContact OG1-CZ 3.46Å; T128-W145 WeakPolarHBondContact O-CZ3 3.4Å
129H90.3Very high83Confident76 Ų7640.9 Ų40.935%0.35223%0.232SC..THydrogen-bonded Turntrans-63.7-15177.2-64.7-52.7000113.9G147 K148 K149 A150 D182H129-G147 CarbonylContact O-C 3.57Å; H129-G147 VanDerWaalsContact O-CA 3.23Å; H129-G147 WeakPolarHBondContact O-CA 3.36Å; H129-K148 HydrophobicContact CB-CD 4.5Å; H129-K148 HydrophobicContact CB-CG 4.13Å; H129-K148 PolarHBondContact CD2-NZ 3.47Å; H129-K148 PolarHBondContact CE1-NZ 3.27Å; H129-K148 WeakPolarHBondContact ND1-CE 3.41Å; H129-K148 PolarHBondContact ND1-NZ 3.05Å; H129-K148 PolarHBondContact NE2-NZ 2.8Å; H129-K148 PolarHBondContact O-N 3.46Å; H129-K149 HydrophobicContact CB-CD 4.37Å; H129-K149 WeakPolarHBondContact O-CA 3.17Å; H129-K149 WeakPolarHBondContact O-CB 3.14Å; H129-K149 PolarHBondContact O-N 2.65Å; H129-A150 PolarHBondContact O-N 3.45Å; H129-D182 IonicContact CE1-OD1 2.95Å; H129-D182 PolarHBondContact CE1-OD1 3.48Å; H129-D182 IonicContact CE1-OD2 3.59Å; H129-D182 IonicContact CG-OD2 3.62Å; H129-D182 IonicContact ND1-OD1 2.77Å; H129-D182 PolarHBondContact ND1-OD1 3.05Å; H129-D182 VanDerWaalsContact ND1-OD1 3.13Å; H129-D182 IonicContact ND1-OD2 3.21Å; H129-D182 PolarHBondContact ND1-OD2 2.81Å
130D87.4Confident82.6Confident86 Ų8640.3 Ų40.346%0.4623%0.228SC..THydrogen-bonded Turntrans-92.8-12.7-170.6-57.9-63.7000114T128 K149 A150T128-D130 PolarHBondContact O-N 3.09Å; D130-K149 VanDerWaalsContact OD1-CB 3.32Å; D130-K149 WeakPolarHBondContact OD1-CB 3.33Å; D130-K149 WeakPolarHBondContact OD1-CD 3.36Å; D130-A150 WeakPolarHBondContact O-CA 3.41Å
131D88.5Confident83.1Confident22 Ų2238.8 Ų38.812%0.11822%0.217CC..SBendtrans-126.2172.3-175.5-63.5-70.7000112.4R104 S106 T128 F133 G147R104-D131 HydrophobicContact CG-CB 4.05Å; S106-D131 WeakPolarHBondContact CB-OD1 3.47Å; S106-D131 PolarHBondContact OG-OD1 3.48Å; T128-D131 PolarHBondContact OG1-OD2 3.21Å; T128-D131 VanDerWaalsContact OG1-OD2 3.07Å; D131-F133 HydrophobicContact CB-CD2 4.48Å; D131-F133 HydrophobicContact CB-CE2 3.75Å; D131-F133 HydrophobicContact CB-CZ 4.13Å; D131-G147 VanDerWaalsContact O-CA 3.32Å; D131-G147 WeakPolarHBondContact O-CA 3.37Å; D131-G147 PolarHBondContact O-N 2.83Å
132C91.3Very high84.3Confident0 Ų034.6 Ų34.60%019%0.19CC..EExtended strand (participates in β ladder)trans-101151.8166.2-710000110.7V105 W145 A158V105-C132 WeakPolarHBondContact CA-O 3.3Å; V105-C132 HydrophobicContact CB-CB 4.09Å; V105-C132 PolarHBondContact N-O 3.18Å; V105-C132 PolarHBondContact O-N 3.18Å; C132-W145 CarbonylContact C-O 3.59Å; C132-W145 WeakPolarHBondContact CA-O 3.38Å; C132-A158 HydrophobicContact CB-CB 3.9Å
133F93.4Very high85Confident1 Ų134.4 Ų34.40%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-133.5147.3-176.6-63.2-105.9000110.9L102 Y103 R104 I117 L126 L127 T128 D131 V144 W145L102-F133 HydrophobicContact CD1-CB 3.99Å; L102-F133 HydrophobicContact CD1-CD1 4.19Å; L102-F133 HydrophobicContact CD2-CD1 4.14Å; L102-F133 HydrophobicContact CG-CD1 4.12Å; Y103-F133 CarbonylContact O-C 3.55Å; Y103-F133 WeakPolarHBondContact O-CA 3.31Å; R104-F133 HydrophobicContact CG-CE1 4.13Å; R104-F133 HydrophobicContact CG-CZ 4.31Å; I117-F133 HydrophobicContact CD1-CD1 3.5Å; I117-F133 HydrophobicContact CD1-CE1 3.22Å; I117-F133 HydrophobicContact CD1-CZ 4.42Å; L126-F133 WeakPolarHBondContact O-CE1 3.26Å; L126-F133 WeakPolarHBondContact O-CZ 3.41Å; L127-F133 HydrophobicContact CD2-CB 3.88Å; L127-F133 HydrophobicContact CD2-CD1 3.93Å; L127-F133 HydrophobicContact CD2-CD2 3.94Å; L127-F133 HydrophobicContact CD2-CE1 4.43Å; L127-F133 HydrophobicContact CD2-CE2 4.48Å; L127-F133 HydrophobicContact CD2-CG 3.65Å; T128-F133 VanDerWaalsContact N-CZ 3.3Å; T128-F133 WeakPolarHBondContact O-CE2 3.4Å; T128-F133 VanDerWaalsContact OG1-CZ 3.29Å; T128-F133 WeakPolarHBondContact OG1-CZ 3.46Å; D131-F133 HydrophobicContact CB-CD2 4.48Å; D131-F133 HydrophobicContact CB-CE2 3.75Å; D131-F133 HydrophobicContact CB-CZ 4.13Å; F133-V144 CarbonylContact O-C 3.47Å; F133-V144 WeakPolarHBondContact O-CA 3.42Å; F133-W145 HydrophobicContact CB-CB 4.39Å; F133-W145 AromaticContact CD2-CE3 3.57Å; F133-W145 HydrophobicContact CD2-CE3 3.57Å; F133-W145 AromaticContact CD2-CZ3 3.8Å; F133-W145 HydrophobicContact CD2-CZ3 3.8Å; F133-W145 HydrophobicContact CE2-CE3 4.17Å; F133-W145 AromaticContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CG-CE3 4.44Å; F133-W145 PolarHBondContact N-O 2.85Å; F133-W145 PolarHBondContact O-N 2.99Å
134I92.8Very high85.6Confident0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-113.9120.6171.3-63.6171000106.8Y103 V105 V114 I142 F143 R161 A162Y103-I134 PolarHBondContact N-O 3.4Å; Y103-I134 PolarHBondContact O-N 3.39Å; V105-I134 HydrophobicContact CG2-CD1 3.66Å; V105-I134 HydrophobicContact CG2-CG1 3.73Å; V114-I134 HydrophobicContact CG1-CD1 4.32Å; V114-I134 HydrophobicContact CG2-CD1 4.44Å; I134-I142 HydrophobicContact CG2-CG2 3.61Å; I134-F143 CarbonylContact C-O 3.6Å; I134-F143 WeakPolarHBondContact CA-O 3.34Å; I134-R161 HydrophobicContact CD1-CB 4.11Å; I134-A162 HydrophobicContact CD1-CB 4.43Å
135L90.1Very high86.3Confident2 Ų229.9 Ų29.91%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-105.1114.1173179.162.2000108.4L100 L102 L122 I142 F143 F189 L192 F193L100-L135 HydrophobicContact CD2-CD1 4.31Å; L100-L135 HydrophobicContact CD2-CG 4.48Å; L102-L135 HydrophobicContact CB-CD1 4.29Å; L102-L135 HydrophobicContact CD1-CB 4.08Å; L102-L135 HydrophobicContact CD1-CD1 4.14Å; L122-L135 HydrophobicContact CD1-CD1 3.31Å; L135-I142 WeakPolarHBondContact O-CA 3.39Å; L135-F143 HydrophobicContact CB-CB 4.18Å; L135-F143 HydrophobicContact CD2-CD2 4.29Å; L135-F143 HydrophobicContact CG-CD2 4.46Å; L135-F143 PolarHBondContact N-O 3.38Å; L135-F143 PolarHBondContact O-N 2.93Å; L135-F189 HydrophobicContact CD2-CD2 4.31Å; L135-F189 HydrophobicContact CD2-CE2 3.89Å; L135-L192 HydrophobicContact CD2-CB 3.91Å; L135-L192 HydrophobicContact CD2-CD1 3.44Å; L135-L192 VanDerWaalsContact CD2-CD1 3.44Å; L135-L192 HydrophobicContact CD2-CG 4.32Å; L135-L192 HydrophobicContact CG-CD1 4.42Å; L135-F193 HydrophobicContact CD2-CE2 4.07Å; L135-F193 HydrophobicContact CD2-CZ 4.21Å
136D89.3Confident86.6Confident2 Ų224.8 Ų24.81%0.01114%0.135CC..EExtended strand (participates in β ladder)trans-97.8122.1-176.9177.514.2000110.3L100 T101 Y103 G138 G139 F165 Y171L100-D136 WeakPolarHBondContact CA-O 3.48Å; T101-D136 PolarHBondContact N-O 3.39Å; T101-D136 PolarHBondContact O-N 3.28Å; Y103-D136 HydrophobicContact CD2-CB 4.36Å; Y103-D136 HydrophobicContact CE2-CB 3.75Å; D136-G138 PolarHBondContact OD1-N 2.98Å; D136-G139 PolarHBondContact OD1-N 3.46Å; D136-F165 HydrophobicContact CB-CE1 4.02Å; D136-F165 HydrophobicContact CB-CZ 4.34Å; D136-F165 WeakPolarHBondContact OD2-CE1 3.29Å; D136-Y171 PolarHBondContact OD2-OH 3.37Å
137Q81.8Confident86.7Confident65 Ų6522.6 Ų22.630%0.30412%0.124SC..EExtended strand (participates in β ladder)trans-10548.2175.1-164.5-176.9-35.200111L100 G139 S140 K141L100-Q137 HydrophobicContact CD2-CB 3.99Å; L100-Q137 HydrophobicContact CD2-CG 3.86Å; Q137-G139 VanDerWaalsContact C-N 3.28Å; Q137-G139 PolarHBondContact O-N 3.36Å; Q137-S140 WeakPolarHBondContact CB-OG 3.21Å; Q137-S140 WeakPolarHBondContact CG-OG 3.47Å; Q137-S140 PolarHBondContact NE2-OG 3.32Å; Q137-S140 PolarHBondContact O-N 3.46Å; Q137-S140 PolarHBondContact O-OG 2.85Å; Q137-K141 VanDerWaalsContact CB-O 3.25Å; Q137-K141 WeakPolarHBondContact CB-O 3.42Å; Q137-K141 PolarHBondContact N-O 3.36Å
138G72.9Confident86.7Confident22 Ų2227.3 Ų27.323%0.22714%0.144CC..THydrogen-bonded Turntrans61.832.9172.700000113.8D136 S140D136-G138 PolarHBondContact OD1-N 2.98Å; G138-S140 PolarHBondContact O-N 2.85Å
139G70.3Confident86.5Confident8 Ų831 Ų318%0.08216%0.155CC..THydrogen-bonded Turntrans83.7-5.7179.500000116.6D136 Q137 T175D136-G139 PolarHBondContact OD1-N 3.46Å; Q137-G139 VanDerWaalsContact C-N 3.28Å; Q137-G139 PolarHBondContact O-N 3.36Å; G139-T175 WeakPolarHBondContact O-CB 3.38Å; G139-T175 WeakPolarHBondContact O-CG2 3.48Å; G139-T175 PolarHBondContact O-OG1 3.4Å
140S71.7Confident86.4Confident36 Ų3627.7 Ų27.725%0.25214%0.141SC..SBendtrans-67.8-50.816847.90000111.9T96 Q137 G138T96-S140 VanDerWaalsContact CG2-CB 3.42Å; Q137-S140 WeakPolarHBondContact CB-OG 3.21Å; Q137-S140 WeakPolarHBondContact CG-OG 3.47Å; Q137-S140 PolarHBondContact NE2-OG 3.32Å; Q137-S140 PolarHBondContact O-N 3.46Å; Q137-S140 PolarHBondContact O-OG 2.85Å; G138-S140 PolarHBondContact O-N 2.85Å
141K80.7Confident86.3Confident43 Ų4326.2 Ų26.219%0.18713%0.133CC..EExtended strand (participates in β ladder)trans-152.6142.7-171.5-170158.2-175.8179.40109.8Q137 F143 S176 E178 L188Q137-K141 VanDerWaalsContact CB-O 3.25Å; Q137-K141 WeakPolarHBondContact CB-O 3.42Å; Q137-K141 PolarHBondContact N-O 3.36Å; K141-F143 HydrophobicContact CB-CE2 4.38Å; K141-F143 HydrophobicContact CD-CE1 4.13Å; K141-F143 HydrophobicContact CD-CE2 4.05Å; K141-F143 HydrophobicContact CD-CZ 3.61Å; K141-F143 HydrophobicContact CG-CD2 4.39Å; K141-F143 HydrophobicContact CG-CE1 4.45Å; K141-F143 HydrophobicContact CG-CE2 3.84Å; K141-F143 HydrophobicContact CG-CZ 3.89Å; K141-S176 WeakPolarHBondContact CA-O 3.39Å; K141-S176 WeakPolarHBondContact CG-OG 3.4Å; K141-E178 WeakPolarHBondContact CE-OE2 3.43Å; K141-E178 IonicContact NZ-OE2 3.66Å; K141-E178 PolarHBondContact NZ-OE2 3.31Å; K141-L188 HydrophobicContact CD-CD2 4.44Å
142I89.1Confident86Confident0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-123.1128.4174.9-65.1176.1000108.2I134 L135 A162 F165 I166 Y171 T175 S176 V177 E178I134-I142 HydrophobicContact CG2-CG2 3.61Å; L135-I142 WeakPolarHBondContact O-CA 3.39Å; I142-A162 HydrophobicContact CG2-CB 4.16Å; I142-F165 HydrophobicContact CD1-CD1 4.11Å; I142-I166 HydrophobicContact CD1-CD1 3.99Å; I142-I166 HydrophobicContact CD1-CG1 3.35Å; I142-Y171 HydrophobicContact CD1-CD2 4.46Å; I142-T175 HydrophobicContact CD1-CG2 4.11Å; I142-T175 HydrophobicContact CG1-CG2 4.09Å; I142-S176 PolarHBondContact N-O 3.39Å; I142-V177 HydrophobicContact CB-CG2 4.4Å; I142-V177 CarbonylContact O-C 3.57Å; I142-V177 VanDerWaalsContact O-CA 3.29Å; I142-V177 WeakPolarHBondContact O-CA 3.43Å; I142-E178 PolarHBondContact O-N 3.29Å
143F90.1Very high85.5Confident0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-103.8134.5173.3-55.7-97.6000110.3I134 L135 K141 E178 V180 L188 F189 L192I134-F143 CarbonylContact C-O 3.6Å; I134-F143 WeakPolarHBondContact CA-O 3.34Å; L135-F143 HydrophobicContact CB-CB 4.18Å; L135-F143 HydrophobicContact CD2-CD2 4.29Å; L135-F143 HydrophobicContact CG-CD2 4.46Å; L135-F143 PolarHBondContact N-O 3.38Å; L135-F143 PolarHBondContact O-N 2.93Å; K141-F143 HydrophobicContact CB-CE2 4.38Å; K141-F143 HydrophobicContact CD-CE1 4.13Å; K141-F143 HydrophobicContact CD-CE2 4.05Å; K141-F143 HydrophobicContact CD-CZ 3.61Å; K141-F143 HydrophobicContact CG-CD2 4.39Å; K141-F143 HydrophobicContact CG-CE1 4.45Å; K141-F143 HydrophobicContact CG-CE2 3.84Å; K141-F143 HydrophobicContact CG-CZ 3.89Å; F143-E178 CarbonylContact C-O 3.56Å; F143-E178 WeakPolarHBondContact CA-O 3.5Å; F143-E178 HydrophobicContact CD1-CB 3.89Å; F143-E178 HydrophobicContact CD1-CG 4.25Å; F143-E178 HydrophobicContact CE1-CB 4.26Å; F143-V180 HydrophobicContact CB-CG2 4.38Å; F143-V180 HydrophobicContact CD1-CG2 3.97Å; F143-L188 HydrophobicContact CE1-CD2 4.21Å; F143-L188 HydrophobicContact CZ-CD2 3.94Å; F143-L188 HydrophobicContact CZ-CG 4.37Å; F143-F189 HydrophobicContact CB-CD2 3.73Å; F143-F189 HydrophobicContact CB-CE2 3.69Å; F143-F189 AromaticContact CD1-CD2 3.7Å; F143-F189 HydrophobicContact CD1-CD2 3.7Å; F143-F189 HydrophobicContact CD2-CD2 4.41Å; F143-F189 HydrophobicContact CE1-CB 4.49Å; F143-F189 HydrophobicContact CE1-CD2 4.37Å; F143-F189 AromaticContact CG-CD2 3.71Å; F143-F189 HydrophobicContact CG-CD2 3.71Å; F143-F189 HydrophobicContact CG-CE2 4.15Å; F143-L192 HydrophobicContact CD2-CD1 3.85Å; F143-L192 HydrophobicContact CE2-CD1 3.41Å; F143-L192 VanDerWaalsContact CE2-CD1 3.41Å; F143-L192 HydrophobicContact CZ-CD1 3.93Å
144V92.9Very high85Confident0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-107.698.3173.1-177.90000108.2F133 K146 A158 M159 A162 V177 E178 V180F133-V144 CarbonylContact O-C 3.47Å; F133-V144 WeakPolarHBondContact O-CA 3.42Å; V144-K146 HydrophobicContact CG1-CG 4.49Å; V144-A158 HydrophobicContact CG1-CB 3.52Å; V144-M159 HydrophobicContact CG2-SD 4.48Å; V144-A162 HydrophobicContact CG2-CB 3.5Å; V144-V177 HydrophobicContact CG2-CG1 3.85Å; V144-E178 PolarHBondContact N-O 2.98Å; V144-V180 PolarHBondContact O-N 3.16Å
145W93.4Very high84.4Confident4 Ų439.8 Ų39.82%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-88.7130.3178.8-172.495.6000110.8L127 T128 C132 F133 G147 V180 D182 E185 F189L127-W145 HydrophobicContact CB-CE3 4.43Å; L127-W145 HydrophobicContact CB-CH2 4Å; L127-W145 HydrophobicContact CB-CZ2 4.15Å; L127-W145 HydrophobicContact CB-CZ3 4.17Å; L127-W145 HydrophobicContact CD1-CD2 4.15Å; L127-W145 HydrophobicContact CD1-CG 4.29Å; L127-W145 HydrophobicContact CD1-CZ2 4.39Å; L127-W145 HydrophobicContact CD2-CB 4.49Å; L127-W145 HydrophobicContact CD2-CD2 4.07Å; L127-W145 HydrophobicContact CD2-CE3 4.04Å; L127-W145 HydrophobicContact CD2-CG 4.3Å; T128-W145 WeakPolarHBondContact O-CZ3 3.4Å; C132-W145 CarbonylContact C-O 3.59Å; C132-W145 WeakPolarHBondContact CA-O 3.38Å; F133-W145 HydrophobicContact CB-CB 4.39Å; F133-W145 AromaticContact CD2-CE3 3.57Å; F133-W145 HydrophobicContact CD2-CE3 3.57Å; F133-W145 AromaticContact CD2-CZ3 3.8Å; F133-W145 HydrophobicContact CD2-CZ3 3.8Å; F133-W145 HydrophobicContact CE2-CE3 4.17Å; F133-W145 AromaticContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CE2-CZ3 3.91Å; F133-W145 HydrophobicContact CG-CE3 4.44Å; F133-W145 PolarHBondContact N-O 2.85Å; F133-W145 PolarHBondContact O-N 2.99Å; W145-G147 VanDerWaalsContact CZ3-N 3.34Å; W145-V180 CarbonylContact C-O 3.48Å; W145-V180 VanDerWaalsContact CA-O 3.29Å; W145-V180 WeakPolarHBondContact CA-O 3.31Å; W145-D182 HydrophobicContact CH2-CB 3.75Å; W145-D182 HydrophobicContact CZ2-CB 3.36Å; W145-E185 PolarHBondContact NE1-OE1 3.11Å; W145-F189 HydrophobicContact CB-CE2 4.15Å; W145-F189 HydrophobicContact CB-CZ 3.72Å; W145-F189 AromaticContact CD1-CE1 3.42Å; W145-F189 VanDerWaalsContact CD1-CE1 3.42Å; W145-F189 AromaticContact CD1-CZ 3.4Å; W145-F189 HydrophobicContact CG-CE1 4.21Å; W145-F189 AromaticContact CG-CZ 3.76Å; W145-F189 HydrophobicContact CG-CZ 3.76Å
146K90.3Very high83.9Confident39 Ų3946.1 Ų46.117%0.1723%0.227CC..EExtended strand (participates in β ladder)trans-115.1108.6-174.1-67.6171.8178.4158.30110.8V144 S179 V180 D182V144-K146 HydrophobicContact CG1-CG 4.49Å; K146-S179 WeakPolarHBondContact CE-OG 3.23Å; K146-S179 PolarHBondContact NZ-OG 2.76Å; K146-V180 PolarHBondContact N-O 3.14Å; K146-D182 WeakPolarHBondContact O-CB 3.37Å; K146-D182 PolarHBondContact O-N 2.98Å
147G87.9Confident83.5Confident0 Ų047.2 Ų47.20%024%0.236CC..  trans-57.213917500000112.5H129 D131 W145 K149 A150 R155H129-G147 CarbonylContact O-C 3.57Å; H129-G147 VanDerWaalsContact O-CA 3.23Å; H129-G147 WeakPolarHBondContact O-CA 3.36Å; D131-G147 VanDerWaalsContact O-CA 3.32Å; D131-G147 WeakPolarHBondContact O-CA 3.37Å; D131-G147 PolarHBondContact O-N 2.83Å; W145-G147 VanDerWaalsContact CZ3-N 3.34Å; G147-K149 PolarHBondContact O-N 2.87Å; G147-K149 VanDerWaalsContact O-N 3.16Å; G147-A150 VanDerWaalsContact O-CB 3.23Å; G147-A150 WeakPolarHBondContact O-CB 3.35Å; G147-A150 PolarHBondContact O-N 3.41Å; G147-R155 PolarHBondContact O-NE 3.16Å; G147-R155 PolarHBondContact O-NH2 3.45Å
148K87.3Confident83.5Confident111 Ų11144.1 Ų44.148%0.48322%0.222SC..THydrogen-bonded Turntrans-64.8-18.3-177.372.3-163.2168.8-151.20113.9H129 R155 D182H129-K148 HydrophobicContact CB-CD 4.5Å; H129-K148 HydrophobicContact CB-CG 4.13Å; H129-K148 PolarHBondContact CD2-NZ 3.47Å; H129-K148 PolarHBondContact CE1-NZ 3.27Å; H129-K148 WeakPolarHBondContact ND1-CE 3.41Å; H129-K148 PolarHBondContact ND1-NZ 3.05Å; H129-K148 PolarHBondContact NE2-NZ 2.8Å; H129-K148 PolarHBondContact O-N 3.46Å; K148-R155 VanDerWaalsContact CA-NH2 3.33Å; K148-R155 PolarHBondContact O-NH2 3.04Å; K148-D182 HydrophobicContact CB-CB 4.05Å; K148-D182 WeakPolarHBondContact CB-OD2 3.36Å; K148-D182 WeakPolarHBondContact CD-OD2 3.39Å; K148-D182 VanDerWaalsContact CG-OD2 3.26Å; K148-D182 WeakPolarHBondContact CG-OD2 3.36Å; K148-D182 PolarHBondContact N-OD2 2.8Å
149K85.9Confident84Confident134 Ų13446.4 Ų46.458%0.58323%0.227SC*.THydrogen-bonded Turntrans-107.4-3.3174.3-59.4174.5179177.90113.5H129 D130 G147H129-K149 HydrophobicContact CB-CD 4.37Å; H129-K149 WeakPolarHBondContact O-CA 3.17Å; H129-K149 WeakPolarHBondContact O-CB 3.14Å; H129-K149 PolarHBondContact O-N 2.65Å; D130-K149 VanDerWaalsContact OD1-CB 3.32Å; D130-K149 WeakPolarHBondContact OD1-CB 3.33Å; D130-K149 WeakPolarHBondContact OD1-CD 3.36Å; G147-K149 PolarHBondContact O-N 2.87Å; G147-K149 VanDerWaalsContact O-N 3.16Å
150A87Confident84.7Confident6 Ų649 Ų495%0.0524%0.244CC..  trans-56.2143.2175.400000112.4H129 D130 G147 R155H129-A150 PolarHBondContact O-N 3.45Å; D130-A150 WeakPolarHBondContact O-CA 3.41Å; G147-A150 VanDerWaalsContact O-CB 3.23Å; G147-A150 WeakPolarHBondContact O-CB 3.35Å; G147-A150 PolarHBondContact O-N 3.41Å; A150-R155 HydrophobicContact CB-CG 4.19Å; A150-R155 PolarHBondContact O-NE 3.13Å; A150-R155 VanDerWaalsContact O-NE 3.13Å
151N85.3Confident85.4Confident55 Ų5551.5 Ų51.529%0.29425%0.248SC..  trans-75.8163.8-171.382.644.9000111.5D107 A153 E154 R155D107-N151 PolarHBondContact OD1-ND2 3.21Å; D107-N151 PolarHBondContact OD2-ND2 3.5Å; N151-A153 VanDerWaalsContact C-N 3.29Å; N151-A153 PolarHBondContact O-N 3.32Å; N151-A153 WeakPolarHBondContact OD1-CA 3.27Å; N151-A153 WeakPolarHBondContact OD1-CB 3.45Å; N151-A153 PolarHBondContact OD1-N 2.89Å; N151-E154 PolarHBondContact N-OE2 3.5Å; N151-E154 PolarHBondContact ND2-OE1 2.84Å; N151-E154 PolarHBondContact ND2-OE2 3.08Å; N151-E154 PolarHBondContact O-N 2.9Å; N151-E154 PolarHBondContact OD1-N 3.22Å; N151-R155 WeakPolarHBondContact O-CG 3.22Å; N151-R155 PolarHBondContact O-N 2.77Å
152K82.1Confident85.6Confident159 Ų15949.5 Ų49.569%0.69124%0.239SC*.Hα-helixtrans-64.3-34.6-175.3-171178.8179-177.10112.4Q156K152-Q156 WeakPolarHBondContact O-CB 3.39Å; K152-Q156 VanDerWaalsContact O-CG 3.26Å; K152-Q156 WeakPolarHBondContact O-CG 3.22Å; K152-Q156 PolarHBondContact O-N 3.04Å; K152-Q156 VanDerWaalsContact O-N 3.12Å
153A82.1Confident85.4Confident49 Ų4953.4 Ų53.441%0.40526%0.26SS..Hα-helixtrans-68.7-45.3179.600000110.8M112 N151 Q156 A157M112-A153 HydrophobicContact CE-CB 4.39Å; N151-A153 VanDerWaalsContact C-N 3.29Å; N151-A153 PolarHBondContact O-N 3.32Å; N151-A153 WeakPolarHBondContact OD1-CA 3.27Å; N151-A153 WeakPolarHBondContact OD1-CB 3.45Å; N151-A153 PolarHBondContact OD1-N 2.89Å; A153-Q156 PolarHBondContact O-N 3.04Å; A153-A157 VanDerWaalsContact O-CB 3.22Å; A153-A157 WeakPolarHBondContact O-CB 3.43Å; A153-A157 PolarHBondContact O-N 3.4Å
154E81.3Confident85.3Confident5 Ų556.6 Ų56.62%0.02328%0.277CS..Hα-helixtrans-59-48.5175.4-72.4168.4160.900111.5S106 D107 M112 N151 Q156 A157 A158S106-E154 WeakPolarHBondContact CA-OE1 3.38Å; D107-E154 PolarHBondContact N-OE1 3.35Å; D107-E154 VanDerWaalsContact N-OE1 3.16Å; M112-E154 HydrophobicContact CE-CB 4.24Å; M112-E154 HydrophobicContact CE-CG 3.65Å; N151-E154 PolarHBondContact N-OE2 3.5Å; N151-E154 PolarHBondContact ND2-OE1 2.84Å; N151-E154 PolarHBondContact ND2-OE2 3.08Å; N151-E154 PolarHBondContact O-N 2.9Å; N151-E154 PolarHBondContact OD1-N 3.22Å; E154-Q156 VanDerWaalsContact C-N 3.32Å; E154-Q156 PolarHBondContact O-N 3.05Å; E154-A157 PolarHBondContact O-N 2.82Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.37Å; E154-A158 PolarHBondContact O-N 3.33Å
155R80.6Confident84.9Confident95 Ų9557.6 Ų57.636%0.35828%0.281SS..Hα-helixtrans-62.5-37179.3-71.5178.9178-179.55.1113.6G147 K148 A150 N151G147-R155 PolarHBondContact O-NE 3.16Å; G147-R155 PolarHBondContact O-NH2 3.45Å; K148-R155 VanDerWaalsContact CA-NH2 3.33Å; K148-R155 PolarHBondContact O-NH2 3.04Å; A150-R155 HydrophobicContact CB-CG 4.19Å; A150-R155 PolarHBondContact O-NE 3.13Å; A150-R155 VanDerWaalsContact O-NE 3.13Å; N151-R155 WeakPolarHBondContact O-CG 3.22Å; N151-R155 PolarHBondContact O-N 2.77Å
156Q79.9Confident84.5Confident136 Ų13658 Ų5864%0.63628%0.284SS*.Hα-helixtrans-73.7-37.7178.2-76.3-179.5-23.100111.6K152 A153 E154K152-Q156 WeakPolarHBondContact O-CB 3.39Å; K152-Q156 VanDerWaalsContact O-CG 3.26Å; K152-Q156 WeakPolarHBondContact O-CG 3.22Å; K152-Q156 PolarHBondContact O-N 3.04Å; K152-Q156 VanDerWaalsContact O-N 3.12Å; A153-Q156 PolarHBondContact O-N 3.04Å; E154-Q156 VanDerWaalsContact C-N 3.32Å; E154-Q156 PolarHBondContact O-N 3.05Å
157A81.4Confident84.3Confident24 Ų2463.1 Ų63.120%0.19831%0.306CS..Hα-helixtrans-83.9-25.5-177.200000113.6M112 A153 E154 M159 S160 R161M112-A157 HydrophobicContact CE-CB 4.21Å; M112-A157 HydrophobicContact SD-CB 3.13Å; M112-A157 WeakPolarHBondContact SD-CB 3.42Å; A153-A157 VanDerWaalsContact O-CB 3.22Å; A153-A157 WeakPolarHBondContact O-CB 3.43Å; A153-A157 PolarHBondContact O-N 3.4Å; E154-A157 PolarHBondContact O-N 2.82Å; A157-M159 PolarHBondContact O-N 3.26Å; A157-S160 WeakPolarHBondContact O-CB 3.45Å; A157-S160 PolarHBondContact O-N 2.92Å; A157-R161 WeakPolarHBondContact O-CG 3.48Å; A157-R161 PolarHBondContact O-N 3.36Å
158A81.9Confident84.1Confident0 Ų067.4 Ų67.40%034%0.341CS..Hα-helixtrans-55-38.7-17600000113C132 V144 E154 R161 A162C132-A158 HydrophobicContact CB-CB 3.9Å; V144-A158 HydrophobicContact CG1-CB 3.52Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.37Å; E154-A158 PolarHBondContact O-N 3.33Å; A158-R161 PolarHBondContact O-N 3.01Å; A158-A162 PolarHBondContact O-N 2.82Å
159M82.2Confident84Confident71 Ų7166.4 Ų66.435%0.3534%0.337SS..Hα-helixtrans-68.8-44.5175.6-167.270-176.200112.1V144 A157 R161 A162 L163 V177V144-M159 HydrophobicContact CG2-SD 4.48Å; A157-M159 PolarHBondContact O-N 3.26Å; M159-R161 VanDerWaalsContact C-N 3.25Å; M159-R161 PolarHBondContact O-N 2.88Å; M159-A162 PolarHBondContact O-N 3.01Å; M159-L163 WeakPolarHBondContact O-CG 3.2Å; M159-L163 PolarHBondContact O-N 3.17Å; M159-L163 VanDerWaalsContact O-N 3.11Å; M159-V177 HydrophobicContact CE-CB 3.88Å; M159-V177 HydrophobicContact CE-CG1 3.63Å; M159-V177 HydrophobicContact SD-CG1 3.77Å
160S85.3Confident83.9Confident62 Ų6267 Ų6743%0.43435%0.347SS..Hα-helixtrans-60.7-39.4175.4-170.50000111A157 L163 D164A157-S160 WeakPolarHBondContact O-CB 3.45Å; A157-S160 PolarHBondContact O-N 2.92Å; S160-L163 PolarHBondContact O-N 2.75Å; S160-D164 VanDerWaalsContact O-CG 3.26Å; S160-D164 PolarHBondContact O-N 2.77Å
161R86.1Confident83.8Confident89 Ų8969.4 Ų69.434%0.33635%0.354SS..Hα-helixtrans-67.5-37.8177.5-67.2-54.4-173.51614.2112.3V105 M112 V114 I134 A157 A158 M159 L163 D164 F165V105-R161 HydrophobicContact CG1-CG 4.47Å; M112-R161 PolarHBondContact O-NH2 2.87Å; M112-R161 VanDerWaalsContact O-NH2 3.13Å; V114-R161 HydrophobicContact CG2-CB 4.13Å; V114-R161 HydrophobicContact CG2-CG 4.3Å; I134-R161 HydrophobicContact CD1-CB 4.11Å; A157-R161 WeakPolarHBondContact O-CG 3.48Å; A157-R161 PolarHBondContact O-N 3.36Å; A158-R161 PolarHBondContact O-N 3.01Å; M159-R161 VanDerWaalsContact C-N 3.25Å; M159-R161 PolarHBondContact O-N 2.88Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 3.26Å; R161-D164 PolarHBondContact O-N 3.38Å; R161-F165 WeakPolarHBondContact O-CB 3.29Å; R161-F165 PolarHBondContact O-N 3.44Å
162A85.5Confident83.4Confident0 Ų070.3 Ų70.30%036%0.364CS..Hα-helixtrans-61.2-41172.100000111.8I134 I142 V144 A158 M159 F165 I166 V177I134-A162 HydrophobicContact CD1-CB 4.43Å; I142-A162 HydrophobicContact CG2-CB 4.16Å; V144-A162 HydrophobicContact CG2-CB 3.5Å; A158-A162 PolarHBondContact O-N 2.82Å; M159-A162 PolarHBondContact O-N 3.01Å; A162-F165 WeakPolarHBondContact O-CB 3.06Å; A162-F165 PolarHBondContact O-N 3.48Å; A162-I166 WeakPolarHBondContact O-CG1 3.36Å; A162-I166 PolarHBondContact O-N 2.81Å; A162-V177 HydrophobicContact CB-CG1 3.98Å
163L86Confident83.1Confident83 Ų8370.9 Ų70.944%0.43537%0.373SS..Hα-helixtrans-68-40.9175.6-64.8174.5000112.8M159 S160 R161 F165 I166 K167 V177M159-L163 WeakPolarHBondContact O-CG 3.2Å; M159-L163 PolarHBondContact O-N 3.17Å; M159-L163 VanDerWaalsContact O-N 3.11Å; S160-L163 PolarHBondContact O-N 2.75Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 3.26Å; L163-F165 VanDerWaalsContact C-N 3.26Å; L163-F165 PolarHBondContact O-N 2.86Å; L163-I166 HydrophobicContact CD2-CD1 4.47Å; L163-I166 PolarHBondContact O-N 2.78Å; L163-K167 PolarHBondContact O-N 3.25Å; L163-V177 HydrophobicContact CD2-CG2 4.44Å
164D86.3Confident82.9Confident67 Ų6774.6 Ų74.636%0.35839%0.391SS..Hα-helixtrans-65.8-34173.9-67.4-26.6000111.2S160 R161 K167 A168S160-D164 VanDerWaalsContact O-CG 3.26Å; S160-D164 PolarHBondContact O-N 2.77Å; R161-D164 PolarHBondContact O-N 3.38Å; D164-K167 PolarHBondContact O-N 3.11Å; D164-A168 WeakPolarHBondContact O-CB 3.29Å; D164-A168 PolarHBondContact O-N 2.97Å
165F84.9Confident82.8Confident21 Ų2175 Ų759%0.09239%0.394CS..Hα-helixtrans-66.3-42.3177.5-172.2-87.7000111.6Y103 V114 D136 I142 R161 A162 L163 K167 A168 K169 Y171Y103-F165 HydrophobicContact CD1-CE2 4.11Å; Y103-F165 HydrophobicContact CD2-CE2 4.13Å; Y103-F165 AromaticContact CD2-CZ 3.93Å; Y103-F165 HydrophobicContact CD2-CZ 3.93Å; Y103-F165 AromaticContact CE1-CE2 3.87Å; Y103-F165 HydrophobicContact CE1-CE2 3.87Å; Y103-F165 HydrophobicContact CE1-CZ 4.03Å; Y103-F165 HydrophobicContact CE2-CE1 4.27Å; Y103-F165 AromaticContact CE2-CE2 3.89Å; Y103-F165 HydrophobicContact CE2-CE2 3.89Å; Y103-F165 AromaticContact CE2-CZ 3.35Å; Y103-F165 HydrophobicContact CE2-CZ 3.35Å; Y103-F165 HydrophobicContact CG-CE2 4.24Å; Y103-F165 HydrophobicContact CG-CZ 4.49Å; Y103-F165 AromaticContact CZ-CE2 3.75Å; Y103-F165 AromaticContact CZ-CZ 3.41Å; Y103-F165 VanDerWaalsContact CZ-CZ 3.41Å; V114-F165 HydrophobicContact CG1-CD2 4.33Å; V114-F165 HydrophobicContact CG1-CE2 4.48Å; D136-F165 HydrophobicContact CB-CE1 4.02Å; D136-F165 HydrophobicContact CB-CZ 4.34Å; D136-F165 WeakPolarHBondContact OD2-CE1 3.29Å; I142-F165 HydrophobicContact CD1-CD1 4.11Å; R161-F165 WeakPolarHBondContact O-CB 3.29Å; R161-F165 PolarHBondContact O-N 3.44Å; A162-F165 WeakPolarHBondContact O-CB 3.06Å; A162-F165 PolarHBondContact O-N 3.48Å; L163-F165 VanDerWaalsContact C-N 3.26Å; L163-F165 PolarHBondContact O-N 2.86Å; F165-K167 VanDerWaalsContact C-N 3.3Å; F165-K167 PolarHBondContact O-N 3.19Å; F165-A168 PolarHBondContact O-N 3.05Å; F165-K169 HydrophobicContact CD1-CG 4.11Å; F165-K169 HydrophobicContact CE1-CG 3.77Å; F165-K169 HydrophobicContact CE2-CG 4.44Å; F165-K169 HydrophobicContact CZ-CD 4.34Å; F165-K169 VanDerWaalsContact CZ-CE 3.47Å; F165-K169 HydrophobicContact CZ-CG 3.94Å; F165-K169 WeakPolarHBondContact O-CB 3.42Å; F165-K169 WeakPolarHBondContact O-CG 3.14Å; F165-K169 PolarHBondContact O-N 3.22Å; F165-Y171 HydrophobicContact CE1-CE2 4.25Å
166I85.3Confident82.7Confident12 Ų1273.1 Ų73.16%0.06240%0.395CS..Hα-helixtrans-54.2-48.2171-70.2170.9000110.6I142 A162 L163 N170 Y171 T175 V177I142-I166 HydrophobicContact CD1-CD1 3.99Å; I142-I166 HydrophobicContact CD1-CG1 3.35Å; A162-I166 WeakPolarHBondContact O-CG1 3.36Å; A162-I166 PolarHBondContact O-N 2.81Å; L163-I166 HydrophobicContact CD2-CD1 4.47Å; L163-I166 PolarHBondContact O-N 2.78Å; I166-N170 PolarHBondContact O-N 3.38Å; I166-N170 VanDerWaalsContact O-N 3.14Å; I166-Y171 PolarHBondContact O-N 2.89Å; I166-T175 HydrophobicContact CD1-CG2 4.14Å; I166-T175 HydrophobicContact CG1-CG2 4.31Å; I166-V177 HydrophobicContact CD1-CG2 3.55Å
167K85.6Confident83Confident147 Ų14768.4 Ų68.464%0.63938%0.376SS*.Hα-helixtrans-65.2-44.5179.3-65.5174.3-172.81690112L163 D164 F165 K169 N170L163-K167 PolarHBondContact O-N 3.25Å; D164-K167 PolarHBondContact O-N 3.11Å; F165-K167 VanDerWaalsContact C-N 3.3Å; F165-K167 PolarHBondContact O-N 3.19Å; K167-K169 VanDerWaalsContact C-N 3.33Å; K167-K169 PolarHBondContact O-N 3.11Å; K167-N170 PolarHBondContact O-N 2.67Å
168A84.9Confident83.1Confident89 Ų8969.9 Ų69.974%0.73638%0.379SS*.Hα-helixtrans-66.8-34.2-177.300000112.7D164 F165 N170D164-A168 WeakPolarHBondContact O-CB 3.29Å; D164-A168 PolarHBondContact O-N 2.97Å; F165-A168 PolarHBondContact O-N 3.05Å; A168-N170 VanDerWaalsContact C-N 3.32Å
169K84.4Confident83.2Confident91 Ų9172.4 Ų72.440%0.39640%0.396SS..THydrogen-bonded Turntrans-85.5-3.4176.1-69.3-76.5-171.51600113.6Y103 F165 K167 Y171Y103-K169 PolarHBondContact OH-NZ 3.48Å; Y103-K169 VanDerWaalsContact OH-NZ 3.13Å; F165-K169 HydrophobicContact CD1-CG 4.11Å; F165-K169 HydrophobicContact CE1-CG 3.77Å; F165-K169 HydrophobicContact CE2-CG 4.44Å; F165-K169 HydrophobicContact CZ-CD 4.34Å; F165-K169 VanDerWaalsContact CZ-CE 3.47Å; F165-K169 HydrophobicContact CZ-CG 3.94Å; F165-K169 WeakPolarHBondContact O-CB 3.42Å; F165-K169 WeakPolarHBondContact O-CG 3.14Å; F165-K169 PolarHBondContact O-N 3.22Å; K167-K169 VanDerWaalsContact C-N 3.33Å; K167-K169 PolarHBondContact O-N 3.11Å; K169-Y171 VanDerWaalsContact C-N 3.3Å; K169-Y171 HydrophobicContact CB-CD1 4.39Å; K169-Y171 HydrophobicContact CB-CD2 3.64Å; K169-Y171 HydrophobicContact CB-CE1 4.25Å; K169-Y171 HydrophobicContact CB-CE2 3.47Å; K169-Y171 VanDerWaalsContact CB-CE2 3.47Å; K169-Y171 HydrophobicContact CB-CG 4.09Å; K169-Y171 HydrophobicContact CG-CD2 4.42Å; K169-Y171 HydrophobicContact CG-CE2 3.87Å; K169-Y171 PolarHBondContact O-N 3.34Å
170N83.8Confident83.3Confident147 Ų14769.2 Ų69.279%0.78638%0.381SS*.THydrogen-bonded Turntrans58.338.6-177.1-162.556.9000113.2I166 K167 A168I166-N170 PolarHBondContact O-N 3.38Å; I166-N170 VanDerWaalsContact O-N 3.14Å; K167-N170 PolarHBondContact O-N 2.67Å; A168-N170 VanDerWaalsContact C-N 3.32Å
171Y84.4Confident83.1Confident55 Ų5570.5 Ų70.522%0.21638%0.383CS..  trans-77.9155.9175.7-68.9-38.8000112.3D136 I142 F165 I166 K169D136-Y171 PolarHBondContact OD2-OH 3.37Å; I142-Y171 HydrophobicContact CD1-CD2 4.46Å; F165-Y171 HydrophobicContact CE1-CE2 4.25Å; I166-Y171 PolarHBondContact O-N 2.89Å; K169-Y171 VanDerWaalsContact C-N 3.3Å; K169-Y171 HydrophobicContact CB-CD1 4.39Å; K169-Y171 HydrophobicContact CB-CD2 3.64Å; K169-Y171 HydrophobicContact CB-CE1 4.25Å; K169-Y171 HydrophobicContact CB-CE2 3.47Å; K169-Y171 VanDerWaalsContact CB-CE2 3.47Å; K169-Y171 HydrophobicContact CB-CG 4.09Å; K169-Y171 HydrophobicContact CG-CD2 4.42Å; K169-Y171 HydrophobicContact CG-CE2 3.87Å; K169-Y171 PolarHBondContact O-N 3.34Å
172P78.4Confident82.9Confident75 Ų7567.6 Ų67.649%0.48737%0.374SS..  trans-54.2145.3176.3-26.635.5000112.9T174 T175P172-T174 WeakPolarHBondContact CB-OG1 3.36Å; P172-T174 PolarHBondContact O-N 3.09Å; P172-T174 VanDerWaalsContact O-N 3.11Å; P172-T175 WeakPolarHBondContact O-CB 3.41Å; P172-T175 PolarHBondContact O-N 3.15Å; P172-T175 PolarHBondContact O-OG1 3.44Å
173L75.4Confident82Confident170 Ų17070.7 Ų70.789%0.8941%0.405SS*.THydrogen-bonded Turntrans-65.7-13.5174.5-69.1170.7000112.8T175L173-T175 VanDerWaalsContact C-N 3.35Å
174T77.3Confident81.2Confident128 Ų12870.1 Ų70.179%0.78541%0.413SS*.THydrogen-bonded Turntrans-81.9-8.3174.449.70000113.4P172 S176P172-T174 WeakPolarHBondContact CB-OG1 3.36Å; P172-T174 PolarHBondContact O-N 3.09Å; P172-T174 VanDerWaalsContact O-N 3.11Å; T174-S176 PolarHBondContact O-N 3.11Å
175T79.7Confident80.7Confident13 Ų1367.7 Ų67.78%0.0840%0.399CS..  trans-57120.7177.6-61.30000110.8G139 I142 I166 P172 L173G139-T175 WeakPolarHBondContact O-CB 3.38Å; G139-T175 WeakPolarHBondContact O-CG2 3.48Å; G139-T175 PolarHBondContact O-OG1 3.4Å; I142-T175 HydrophobicContact CD1-CG2 4.11Å; I142-T175 HydrophobicContact CG1-CG2 4.09Å; I166-T175 HydrophobicContact CD1-CG2 4.14Å; I166-T175 HydrophobicContact CG1-CG2 4.31Å; P172-T175 WeakPolarHBondContact O-CB 3.41Å; P172-T175 PolarHBondContact O-N 3.15Å; P172-T175 PolarHBondContact O-OG1 3.44Å; L173-T175 VanDerWaalsContact C-N 3.35Å
176S77.5Confident79.2Confident56 Ų5668.5 Ų68.539%0.39241%0.408SS..EExtended strand (participates in β ladder)trans-77.4140.9-177.965.60000111.8K141 I142 T174K141-S176 WeakPolarHBondContact CA-O 3.39Å; K141-S176 WeakPolarHBondContact CG-OG 3.4Å; I142-S176 PolarHBondContact N-O 3.39Å; T174-S176 PolarHBondContact O-N 3.11Å
177V85.8Confident77.5Confident37 Ų3769.1 Ų69.122%0.22441%0.414CS..EExtended strand (participates in β ladder)trans-119119.8175.5-173.50000109.6I142 V144 M159 A162 L163 I166I142-V177 HydrophobicContact CB-CG2 4.4Å; I142-V177 CarbonylContact O-C 3.57Å; I142-V177 VanDerWaalsContact O-CA 3.29Å; I142-V177 WeakPolarHBondContact O-CA 3.43Å; V144-V177 HydrophobicContact CG2-CG1 3.85Å; M159-V177 HydrophobicContact CE-CB 3.88Å; M159-V177 HydrophobicContact CE-CG1 3.63Å; M159-V177 HydrophobicContact SD-CG1 3.77Å; A162-V177 HydrophobicContact CB-CG1 3.98Å; L163-V177 HydrophobicContact CD2-CG2 4.44Å; I166-V177 HydrophobicContact CD1-CG2 3.55Å
178E84.1Confident76.1Confident55 Ų5565.2 Ų65.226%0.25740%0.4SS..EExtended strand (participates in β ladder)trans-109.9130.4178.6-174.6176.7144.700110.5K141 I142 F143 V144 V180 S186K141-E178 WeakPolarHBondContact CE-OE2 3.43Å; K141-E178 IonicContact NZ-OE2 3.66Å; K141-E178 PolarHBondContact NZ-OE2 3.31Å; I142-E178 PolarHBondContact O-N 3.29Å; F143-E178 CarbonylContact C-O 3.56Å; F143-E178 WeakPolarHBondContact CA-O 3.5Å; F143-E178 HydrophobicContact CD1-CB 3.89Å; F143-E178 HydrophobicContact CD1-CG 4.25Å; F143-E178 HydrophobicContact CE1-CB 4.26Å; V144-E178 PolarHBondContact N-O 2.98Å; E178-V180 HydrophobicContact CG-CG2 4.31Å; E178-S186 PolarHBondContact OE1-OG 2.83Å
179S84.9Confident75.2Confident53 Ų5361 Ų6137%0.37137%0.365SS..EExtended strand (participates in β ladder)trans-92126.8173-175.30000109.8K146K146-S179 WeakPolarHBondContact CE-OG 3.23Å; K146-S179 PolarHBondContact NZ-OG 2.76Å
180V83.3Confident74.3Confident4 Ų458.6 Ų58.62%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-117.8131.8179.2-171.60000108.8F143 V144 W145 K146 E178 E185 F189F143-V180 HydrophobicContact CB-CG2 4.38Å; F143-V180 HydrophobicContact CD1-CG2 3.97Å; V144-V180 PolarHBondContact O-N 3.16Å; W145-V180 CarbonylContact C-O 3.48Å; W145-V180 VanDerWaalsContact CA-O 3.29Å; W145-V180 WeakPolarHBondContact CA-O 3.31Å; K146-V180 PolarHBondContact N-O 3.14Å; E178-V180 HydrophobicContact CG-CG2 4.31Å; V180-E185 HydrophobicContact CG1-CB 4.01Å; V180-E185 HydrophobicContact CG1-CG 3.69Å; V180-F189 HydrophobicContact CB-CD2 4.43Å; V180-F189 HydrophobicContact CG1-CD1 4.26Å; V180-F189 HydrophobicContact CG1-CD2 4.47Å; V180-F189 HydrophobicContact CG1-CG 4.2Å; V180-F189 HydrophobicContact CG2-CB 4.47Å; V180-F189 HydrophobicContact CG2-CD2 3.84Å; V180-F189 HydrophobicContact CG2-CE2 4.31Å; V180-F189 HydrophobicContact CG2-CG 4.19Å
181N81.4Confident73Confident89 Ų8953.2 Ų53.248%0.47633%0.325SS..EExtended strand (participates in β ladder)trans-99.7143175.4-61.3-49.4000109.6G183 A184N181-G183 PolarHBondContact O-N 3.37Å; N181-A184 HydrophobicContact CB-CB 4.25Å; N181-A184 CarbonylContact O-C 3.29Å; N181-A184 WeakPolarHBondContact O-CA 3.48Å; N181-A184 PolarHBondContact O-N 3.07Å
182D81.8Confident72.4Confident28 Ų2851.5 Ų51.515%0.1532%0.319CS..THydrogen-bonded Turntrans-52.7117.7173-179.6-12.3000111.8H129 W145 K146 K148 E185H129-D182 IonicContact CE1-OD1 2.95Å; H129-D182 PolarHBondContact CE1-OD1 3.48Å; H129-D182 IonicContact CE1-OD2 3.59Å; H129-D182 IonicContact CG-OD2 3.62Å; H129-D182 IonicContact ND1-OD1 2.77Å; H129-D182 PolarHBondContact ND1-OD1 3.05Å; H129-D182 VanDerWaalsContact ND1-OD1 3.13Å; H129-D182 IonicContact ND1-OD2 3.21Å; H129-D182 PolarHBondContact ND1-OD2 2.81Å; W145-D182 HydrophobicContact CH2-CB 3.75Å; W145-D182 HydrophobicContact CZ2-CB 3.36Å; K146-D182 WeakPolarHBondContact O-CB 3.37Å; K146-D182 PolarHBondContact O-N 2.98Å; K148-D182 HydrophobicContact CB-CB 4.05Å; K148-D182 WeakPolarHBondContact CB-OD2 3.36Å; K148-D182 WeakPolarHBondContact CD-OD2 3.39Å; K148-D182 VanDerWaalsContact CG-OD2 3.26Å; K148-D182 WeakPolarHBondContact CG-OD2 3.36Å; K148-D182 PolarHBondContact N-OD2 2.8Å; D182-E185 WeakPolarHBondContact CA-OE1 3.2Å
183G67.7Low72Confident64 Ų6448.2 Ų48.266%0.6630%0.297SS*.THydrogen-bonded Turntrans870.2-175.300000115.3N181 E185N181-G183 PolarHBondContact O-N 3.37Å; G183-E185 VanDerWaalsContact C-OE2 3.26Å; G183-E185 WeakPolarHBondContact CA-OE2 3.32Å; G183-E185 VanDerWaalsContact N-CD 3.29Å; G183-E185 PolarHBondContact N-OE1 3.35Å; G183-E185 PolarHBondContact N-OE2 3.32Å; G183-E185 VanDerWaalsContact N-OE2 3.12Å
184A67.6Low71.2Confident71 Ų7144 Ų4459%0.58727%0.273SS*.  trans-124.132.8175.800000111.6N181N181-A184 HydrophobicContact CB-CB 4.25Å; N181-A184 CarbonylContact O-C 3.29Å; N181-A184 WeakPolarHBondContact O-CA 3.48Å; N181-A184 PolarHBondContact O-N 3.07Å
185E75.7Confident70.3Confident16 Ų1645 Ų458%0.07527%0.266CS..  trans-70.2133.4-179.5-57.783.4177.800111.9W145 V180 D182 G183 F189 K190 W196W145-E185 PolarHBondContact NE1-OE1 3.11Å; V180-E185 HydrophobicContact CG1-CB 4.01Å; V180-E185 HydrophobicContact CG1-CG 3.69Å; D182-E185 WeakPolarHBondContact CA-OE1 3.2Å; G183-E185 VanDerWaalsContact C-OE2 3.26Å; G183-E185 WeakPolarHBondContact CA-OE2 3.32Å; G183-E185 VanDerWaalsContact N-CD 3.29Å; G183-E185 PolarHBondContact N-OE1 3.35Å; G183-E185 PolarHBondContact N-OE2 3.32Å; G183-E185 VanDerWaalsContact N-OE2 3.12Å; E185-F189 HydrophobicContact CB-CD1 3.77Å; E185-F189 HydrophobicContact CB-CG 4.5Å; E185-F189 HydrophobicContact CG-CD1 3.63Å; E185-F189 HydrophobicContact CG-CE1 3.87Å; E185-K190 HydrophobicContact CB-CD 4.48Å; E185-K190 HydrophobicContact CB-CG 3.86Å; E185-K190 WeakPolarHBondContact O-CE 3.41Å; E185-K190 PolarHBondContact O-NZ 2.71Å; E185-K190 VanDerWaalsContact O-NZ 3.08Å; E185-W196 HydrophobicContact CB-CH2 4.41Å; E185-W196 HydrophobicContact CB-CZ2 4.05Å; E185-W196 HydrophobicContact CG-CH2 3.67Å; E185-W196 HydrophobicContact CG-CZ2 3.51Å
186S54.3Low69.3Low39 Ų3945.7 Ų45.727%0.27327%0.268SS..  trans-69155.6171.758.50000110.8E178 L188 F189 K190E178-S186 PolarHBondContact OE1-OG 2.83Å; S186-L188 PolarHBondContact O-N 2.87Å; S186-F189 PolarHBondContact O-N 3.05Å; S186-F189 PolarHBondContact OG-N 3.1Å; S186-K190 WeakPolarHBondContact O-CG 3.13Å; S186-K190 PolarHBondContact O-N 3.41Å
187A48.7Very low68.4Low24 Ų2446.8 Ų46.820%0.19827%0.272CS..Hα-helixtrans-50.9-44.5171.900000111.4F189 K190 Q191 D467A187-F189 VanDerWaalsContact C-N 3.29Å; A187-F189 PolarHBondContact O-N 3.12Å; A187-K190 PolarHBondContact O-N 3.45Å; A187-Q191 PolarHBondContact O-N 2.88Å; A187-Q191 VanDerWaalsContact O-N 3.1Å; A187-D467 HydrophobicContact CB-CB 4.14Å; A187-D467 VanDerWaalsContact CB-O 3.26Å; A187-D467 WeakPolarHBondContact CB-O 3.43Å
188L56.2Low66.9Low66 Ų6648 Ų4835%0.34628%0.279SS..Hα-helixtrans-57.6-36.6176.9-169.380.1000113.5K141 F143 S186 Q191 L192K141-L188 HydrophobicContact CD-CD2 4.44Å; F143-L188 HydrophobicContact CE1-CD2 4.21Å; F143-L188 HydrophobicContact CZ-CD2 3.94Å; F143-L188 HydrophobicContact CZ-CG 4.37Å; S186-L188 PolarHBondContact O-N 2.87Å; L188-Q191 WeakPolarHBondContact O-CG 3.36Å; L188-Q191 PolarHBondContact O-NE2 2.9Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å
189F67.5Low65Low0 Ų054.1 Ų54.10%031%0.305CS..Hα-helixtrans-75.9-43176.3-178.5-92.7000111.6L127 L135 F143 W145 V180 E185 S186 A187 Q191 L192 F193 W196L127-F189 HydrophobicContact CD1-CE1 3.84Å; L127-F189 HydrophobicContact CD1-CZ 3.99Å; L135-F189 HydrophobicContact CD2-CD2 4.31Å; L135-F189 HydrophobicContact CD2-CE2 3.89Å; F143-F189 HydrophobicContact CB-CD2 3.73Å; F143-F189 HydrophobicContact CB-CE2 3.69Å; F143-F189 AromaticContact CD1-CD2 3.7Å; F143-F189 HydrophobicContact CD1-CD2 3.7Å; F143-F189 HydrophobicContact CD2-CD2 4.41Å; F143-F189 HydrophobicContact CE1-CB 4.49Å; F143-F189 HydrophobicContact CE1-CD2 4.37Å; F143-F189 AromaticContact CG-CD2 3.71Å; F143-F189 HydrophobicContact CG-CD2 3.71Å; F143-F189 HydrophobicContact CG-CE2 4.15Å; W145-F189 HydrophobicContact CB-CE2 4.15Å; W145-F189 HydrophobicContact CB-CZ 3.72Å; W145-F189 AromaticContact CD1-CE1 3.42Å; W145-F189 VanDerWaalsContact CD1-CE1 3.42Å; W145-F189 AromaticContact CD1-CZ 3.4Å; W145-F189 HydrophobicContact CG-CE1 4.21Å; W145-F189 AromaticContact CG-CZ 3.76Å; W145-F189 HydrophobicContact CG-CZ 3.76Å; V180-F189 HydrophobicContact CB-CD2 4.43Å; V180-F189 HydrophobicContact CG1-CD1 4.26Å; V180-F189 HydrophobicContact CG1-CD2 4.47Å; V180-F189 HydrophobicContact CG1-CG 4.2Å; V180-F189 HydrophobicContact CG2-CB 4.47Å; V180-F189 HydrophobicContact CG2-CD2 3.84Å; V180-F189 HydrophobicContact CG2-CE2 4.31Å; V180-F189 HydrophobicContact CG2-CG 4.19Å; E185-F189 HydrophobicContact CB-CD1 3.77Å; E185-F189 HydrophobicContact CB-CG 4.5Å; E185-F189 HydrophobicContact CG-CD1 3.63Å; E185-F189 HydrophobicContact CG-CE1 3.87Å; S186-F189 PolarHBondContact O-N 3.05Å; S186-F189 PolarHBondContact OG-N 3.1Å; A187-F189 VanDerWaalsContact C-N 3.29Å; A187-F189 PolarHBondContact O-N 3.12Å; F189-Q191 VanDerWaalsContact C-N 3.34Å; F189-Q191 PolarHBondContact O-N 3.16Å; F189-L192 WeakPolarHBondContact O-CB 3.43Å; F189-L192 PolarHBondContact O-N 3.37Å; F189-F193 HydrophobicContact CD1-CE2 4.03Å; F189-F193 HydrophobicContact CE1-CD2 4.44Å; F189-F193 AromaticContact CE1-CE2 3.53Å; F189-F193 HydrophobicContact CE1-CE2 3.53Å; F189-F193 HydrophobicContact CE1-CZ 4.05Å; F189-F193 HydrophobicContact CE2-CE2 4.3Å; F189-F193 AromaticContact CZ-CE2 3.68Å; F189-F193 HydrophobicContact CZ-CE2 3.68Å; F189-F193 AromaticContact CZ-CZ 3.9Å; F189-F193 HydrophobicContact CZ-CZ 3.9Å; F189-F193 WeakPolarHBondContact O-CD2 3.03Å; F189-W196 HydrophobicContact CD1-CH2 4.15Å; F189-W196 HydrophobicContact CD1-CZ3 4.18Å; F189-W196 AromaticContact CE1-CH2 3.78Å; F189-W196 HydrophobicContact CE1-CH2 3.78Å; F189-W196 AromaticContact CE1-CZ3 3.86Å; F189-W196 HydrophobicContact CE1-CZ3 3.86Å
190K64.4Low62.9Low40 Ų4058.8 Ų58.817%0.17433%0.326CS..Hα-helixtrans-61.4-39.7-176.8-67169.4178.61580112.5E185 S186 A187 L192 F193 W196E185-K190 HydrophobicContact CB-CD 4.48Å; E185-K190 HydrophobicContact CB-CG 3.86Å; E185-K190 WeakPolarHBondContact O-CE 3.41Å; E185-K190 PolarHBondContact O-NZ 2.71Å; E185-K190 VanDerWaalsContact O-NZ 3.08Å; S186-K190 WeakPolarHBondContact O-CG 3.13Å; S186-K190 PolarHBondContact O-N 3.41Å; A187-K190 PolarHBondContact O-N 3.45Å; K190-L192 PolarHBondContact O-N 3.38Å; K190-L192 VanDerWaalsContact O-N 3.17Å; K190-F193 PolarHBondContact O-N 2.93Å; K190-W196 HydrophobicContact CB-CB 4.21Å; K190-W196 HydrophobicContact CB-CD2 3.98Å; K190-W196 HydrophobicContact CB-CE3 4.31Å; K190-W196 HydrophobicContact CB-CG 3.9Å; K190-W196 HydrophobicContact CD-CG 4.29Å; K190-W196 HydrophobicContact CG-CD2 3.71Å; K190-W196 HydrophobicContact CG-CE3 4.29Å; K190-W196 HydrophobicContact CG-CG 3.81Å; K190-W196 HydrophobicContact CG-CZ2 4.4Å
191Q58Low60.8Low35 Ų3561.9 Ų61.916%0.16434%0.34CS..THydrogen-bonded Turntrans-64.6-15.317962.6169.10.800114.4A187 L188 F189 F193A187-Q191 PolarHBondContact O-N 2.88Å; A187-Q191 VanDerWaalsContact O-N 3.1Å; L188-Q191 WeakPolarHBondContact O-CG 3.36Å; L188-Q191 PolarHBondContact O-NE2 2.9Å; F189-Q191 VanDerWaalsContact C-N 3.34Å; F189-Q191 PolarHBondContact O-N 3.16Å; Q191-F193 PolarHBondContact O-N 2.76Å
192L70.6Confident58.6Low18 Ų1863.9 Ų63.99%0.09436%0.356CS..THydrogen-bonded Turntrans-75.8-2.8177.5-55.2175.1000112.1L100 L135 F143 L188 F189 K190L100-L192 HydrophobicContact CD1-CB 4.27Å; L100-L192 HydrophobicContact CD1-CD2 4.02Å; L100-L192 HydrophobicContact CD2-CD1 4.43Å; L100-L192 HydrophobicContact CD2-CD2 4.07Å; L135-L192 HydrophobicContact CD2-CB 3.91Å; L135-L192 HydrophobicContact CD2-CD1 3.44Å; L135-L192 VanDerWaalsContact CD2-CD1 3.44Å; L135-L192 HydrophobicContact CD2-CG 4.32Å; L135-L192 HydrophobicContact CG-CD1 4.42Å; F143-L192 HydrophobicContact CD2-CD1 3.85Å; F143-L192 HydrophobicContact CE2-CD1 3.41Å; F143-L192 VanDerWaalsContact CE2-CD1 3.41Å; F143-L192 HydrophobicContact CZ-CD1 3.93Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; F189-L192 WeakPolarHBondContact O-CB 3.43Å; F189-L192 PolarHBondContact O-N 3.37Å; K190-L192 PolarHBondContact O-N 3.38Å; K190-L192 VanDerWaalsContact O-N 3.17Å
193F69.8Low56.2Low6 Ų668.3 Ų68.33%0.02638%0.375CS..SBendtrans-117.7141.7178.1-60.2-98.5000110L122 L127 L135 F189 K190 Q191 K195 W196L122-F193 HydrophobicContact CB-CD1 3.72Å; L122-F193 HydrophobicContact CB-CE1 4.03Å; L122-F193 HydrophobicContact CB-CG 4.4Å; L122-F193 HydrophobicContact CD1-CE1 4.42Å; L122-F193 CarbonylContact O-C 3.56Å; L122-F193 VanDerWaalsContact O-CA 3.26Å; L122-F193 WeakPolarHBondContact O-CA 3.13Å; L127-F193 HydrophobicContact CD1-CE1 3.86Å; L127-F193 HydrophobicContact CD1-CE2 4.21Å; L127-F193 HydrophobicContact CD1-CZ 3.56Å; L127-F193 HydrophobicContact CD2-CZ 4.31Å; L127-F193 HydrophobicContact CG-CE1 3.95Å; L127-F193 HydrophobicContact CG-CZ 4.01Å; L135-F193 HydrophobicContact CD2-CE2 4.07Å; L135-F193 HydrophobicContact CD2-CZ 4.21Å; F189-F193 HydrophobicContact CD1-CE2 4.03Å; F189-F193 HydrophobicContact CE1-CD2 4.44Å; F189-F193 AromaticContact CE1-CE2 3.53Å; F189-F193 HydrophobicContact CE1-CE2 3.53Å; F189-F193 HydrophobicContact CE1-CZ 4.05Å; F189-F193 HydrophobicContact CE2-CE2 4.3Å; F189-F193 AromaticContact CZ-CE2 3.68Å; F189-F193 HydrophobicContact CZ-CE2 3.68Å; F189-F193 AromaticContact CZ-CZ 3.9Å; F189-F193 HydrophobicContact CZ-CZ 3.9Å; F189-F193 WeakPolarHBondContact O-CD2 3.03Å; K190-F193 PolarHBondContact O-N 2.93Å; Q191-F193 PolarHBondContact O-N 2.76Å; F193-K195 PolarHBondContact O-N 2.89Å; F193-W196 HydrophobicContact CB-CE3 4.09Å; F193-W196 HydrophobicContact CD1-CZ3 4.46Å; F193-W196 AromaticContact CD2-CE3 3.78Å; F193-W196 HydrophobicContact CD2-CE3 3.78Å; F193-W196 AromaticContact CD2-CZ3 3.6Å; F193-W196 HydrophobicContact CD2-CZ3 3.6Å; F193-W196 HydrophobicContact CE2-CE3 4.46Å; F193-W196 AromaticContact CE2-CZ3 3.83Å; F193-W196 HydrophobicContact CE2-CZ3 3.83Å; F193-W196 AromaticContact CG-CE3 3.96Å; F193-W196 HydrophobicContact CG-CE3 3.96Å; F193-W196 AromaticContact CG-CZ3 3.97Å; F193-W196 HydrophobicContact CG-CZ3 3.97Å; F193-W196 HydrophobicContact CZ-CZ3 4.35Å
194Q58.2Low54.4Low82 Ų8267.6 Ų67.638%0.38337%0.368SS..SBendtrans-58-33.9-176-170.1-177.722.900113L122 V123 D539L122-Q194 PolarHBondContact O-N 3.28Å; V123-Q194 HydrophobicContact CG1-CB 4.5Å; Q194-D539 HydrophobicContact CG-CB 4.06Å; Q194-D539 PolarHBondContact NE2-OD2 2.93Å
195K59.3Low52.8Low148 Ų14872.4 Ų72.464%0.64338%0.383SS*.  trans-148.9127.9178.3-175.2176.6179.5179.70109Q124 F193 T197Q124-K195 WeakPolarHBondContact CB-O 3.32Å; F193-K195 PolarHBondContact O-N 2.89Å; K195-T197 HydrophobicContact CG-CG2 4.38Å
196W59.6Low50.7Low29 Ų2974.5 Ų74.511%0.1141%0.409CS..  trans-122.8125.5175.7-164.6-79.4000110.3Q124 L127 E185 F189 K190 F193Q124-W196 HydrophobicContact CB-CE3 4.33Å; Q124-W196 HydrophobicContact CG-CD2 4.21Å; Q124-W196 HydrophobicContact CG-CE3 4.03Å; Q124-W196 HydrophobicContact CG-CH2 4.33Å; Q124-W196 HydrophobicContact CG-CZ2 4.5Å; Q124-W196 HydrophobicContact CG-CZ3 4.1Å; L127-W196 HydrophobicContact CD1-CH2 3.69Å; L127-W196 HydrophobicContact CD1-CZ3 3.78Å; E185-W196 HydrophobicContact CB-CH2 4.41Å; E185-W196 HydrophobicContact CB-CZ2 4.05Å; E185-W196 HydrophobicContact CG-CH2 3.67Å; E185-W196 HydrophobicContact CG-CZ2 3.51Å; F189-W196 HydrophobicContact CD1-CH2 4.15Å; F189-W196 HydrophobicContact CD1-CZ3 4.18Å; F189-W196 AromaticContact CE1-CH2 3.78Å; F189-W196 HydrophobicContact CE1-CH2 3.78Å; F189-W196 AromaticContact CE1-CZ3 3.86Å; F189-W196 HydrophobicContact CE1-CZ3 3.86Å; K190-W196 HydrophobicContact CB-CB 4.21Å; K190-W196 HydrophobicContact CB-CD2 3.98Å; K190-W196 HydrophobicContact CB-CE3 4.31Å; K190-W196 HydrophobicContact CB-CG 3.9Å; K190-W196 HydrophobicContact CD-CG 4.29Å; K190-W196 HydrophobicContact CG-CD2 3.71Å; K190-W196 HydrophobicContact CG-CE3 4.29Å; K190-W196 HydrophobicContact CG-CG 3.81Å; K190-W196 HydrophobicContact CG-CZ2 4.4Å; F193-W196 HydrophobicContact CB-CE3 4.09Å; F193-W196 HydrophobicContact CD1-CZ3 4.46Å; F193-W196 AromaticContact CD2-CE3 3.78Å; F193-W196 HydrophobicContact CD2-CE3 3.78Å; F193-W196 AromaticContact CD2-CZ3 3.6Å; F193-W196 HydrophobicContact CD2-CZ3 3.6Å; F193-W196 HydrophobicContact CE2-CE3 4.46Å; F193-W196 AromaticContact CE2-CZ3 3.83Å; F193-W196 HydrophobicContact CE2-CZ3 3.83Å; F193-W196 AromaticContact CG-CE3 3.96Å; F193-W196 HydrophobicContact CG-CE3 3.96Å; F193-W196 AromaticContact CG-CZ3 3.97Å; F193-W196 HydrophobicContact CG-CZ3 3.97Å; F193-W196 HydrophobicContact CZ-CZ3 4.35Å
197T57Low49.6Very low78 Ų7882.1 Ų82.148%0.47944%0.437SS..  trans-127.6137.4177.2600000109.9Q124 K195Q124-T197 PolarHBondContact NE2-O 2.82Å; Q124-T197 PolarHBondContact OE1-O 2.83Å; Q124-T197 PolarHBondContact OE1-OG1 3.23Å; K195-T197 HydrophobicContact CG-CG2 4.38Å
198V55.1Low48.7Very low62 Ų6285.3 Ų85.338%0.37646%0.464SS..  trans-108.6116.9175.2-174.90000108.1D200 Q201V198-D200 PolarHBondContact O-N 2.94Å; V198-Q201 HydrophobicContact CB-CB 3.64Å; V198-Q201 HydrophobicContact CB-CG 4.39Å; V198-Q201 HydrophobicContact CG1-CB 3.68Å; V198-Q201 HydrophobicContact CG1-CG 4.39Å; V198-Q201 PolarHBondContact O-N 3.29Å
199K44Very low47.3Very low185 Ų18590.4 Ų90.480%0.80449%0.491SS*.THydrogen-bonded Turntrans-62.3129.3178.7-158.6173.9-176.3174.70109.2Q201K199-Q201 PolarHBondContact O-N 3.04Å
200D40.6Very low45.4Very low150 Ų15096 Ų9680%0.80253%0.526SS*.THydrogen-bonded Turntrans66.59.1-179.4-48.6-48.1000116.3V198 T202V198-D200 PolarHBondContact O-N 2.94Å; D200-T202 PolarHBondContact O-N 2.75Å
201Q38.9Very low43.9Very low70 Ų70106.8 Ų106.833%0.32757%0.565SS.*  trans-76.295.1169.7-162.2177.423.600109V198 K199 Q203V198-Q201 HydrophobicContact CB-CB 3.64Å; V198-Q201 HydrophobicContact CB-CG 4.39Å; V198-Q201 HydrophobicContact CG1-CB 3.68Å; V198-Q201 HydrophobicContact CG1-CG 4.39Å; V198-Q201 PolarHBondContact O-N 3.29Å; K199-Q201 PolarHBondContact O-N 3.04Å; Q201-Q203 HydrophobicContact CG-CB 4.28Å; Q201-Q203 HydrophobicContact CG-CG 3.76Å; Q201-Q203 VanDerWaalsContact NE2-NE2 3.15Å
202T35Very low42.5Very low131 Ų131107.9 Ų107.980%0.80459%0.586SS**  trans-86.3108159.5-33.90000105.8D200D200-T202 PolarHBondContact O-N 2.75Å
203Q32.4Very low40.6Very low120 Ų120117.4 Ų117.456%0.56163%0.626SS**  trans-130.1108.4172.6-80.9-170.75.700111.8Q201Q201-Q203 HydrophobicContact CG-CB 4.28Å; Q201-Q203 HydrophobicContact CG-CG 3.76Å; Q201-Q203 VanDerWaalsContact NE2-NE2 3.15Å
204G30.3Very low38.8Very low49 Ų49124.5 Ų124.551%0.50566%0.663SS.*SBendtrans-132.2164.5138.600000106.7G206G204-G206 PolarHBondContact O-N 2.95Å
205L32.3Very low37.2Very low173 Ų173124.5 Ų124.591%0.90668%0.677SS**SBendtrans-57110.7179.9-91.2147.7000111.8Q219L205-Q219 PolarHBondContact O-NE2 3.39Å
206G32.2Very low35.6Very low60 Ų60125.9 Ų125.962%0.61969%0.685SS**SBendtrans11179.5166.400000115.4G204G204-G206 PolarHBondContact O-N 2.95Å
207K32.1Very low34.3Very low199 Ų199131.7 Ų131.787%0.86572%0.717SS**  trans163.784.7140.4-89.6159.4-174.1174.40109.7N209K207-N209 PolarHBondContact O-N 2.68Å
208A28.4Very low32.9Very low91 Ų91133.6 Ų133.675%0.75273%0.729SS**  trans-69.9125149.300000107T210A208-T210 PolarHBondContact O-N 2.9Å
209N26.8Very low31.9Very low172 Ų172138.4 Ų138.492%0.9275%0.747SS**  trans-64.683.8168.9-96.9-32.9000109.1K207K207-N209 PolarHBondContact O-N 2.68Å
210T27.4Very low31.7Very low119 Ų119138.4 Ų138.473%0.7375%0.75SS**  trans-84.8118.6154-23.20000106.6A208 G212A208-T210 PolarHBondContact O-N 2.9Å; T210-G212 PolarHBondContact O-N 3.18Å
211R34.3Very low32Very low266 Ų266140.7 Ų140.7100%1.00475%0.753SS**SBendtrans-7081176.6-141.9177.1-176.7-174.60.8108.2
212G27.7Very low32.8Very low57 Ų57141.3 Ų141.359%0.58876%0.755SS**SBendtrans-173.2140-17800000111.4T210 I214T210-G212 PolarHBondContact O-N 3.18Å; G212-I214 PolarHBondContact O-N 3.23Å
213K31.7Very low34Very low219 Ų219138.8 Ų138.895%0.95274%0.736SS**  trans-40.5127.1-170.7-79.8173.3171.2176.90114.4
214I31.3Very low35.3Very low154 Ų154133.7 Ų133.779%0.7971%0.714SS**  trans-63.9122.7-176.7-60.9164.2000110.9G212G212-I214 PolarHBondContact O-N 3.23Å
215A24.6Very low36.9Very low83 Ų83134.5 Ų134.569%0.68671%0.712SS**  trans-79126.3149.400000107.3I217A215-I217 PolarHBondContact O-N 3.11Å
216H26.8Very low38.5Very low176 Ų176130.2 Ų130.282%0.81569%0.69SS**  trans-67.898177.3-134.6-73.5000107.8T218H216-T218 PolarHBondContact O-N 3.22Å
217I31.9Very low40.4Very low151 Ų151127.4 Ų127.477%0.77466%0.661SS**  trans-86.2109.3169.9-59.4171.4000105.9A215 Q219A215-I217 PolarHBondContact O-N 3.11Å; I217-Q219 PolarHBondContact O-N 3.43Å
218T26.3Very low42.2Very low118 Ų118120.3 Ų120.372%0.72463%0.63SS**  trans-63.2110.9167.522.80000108.3H216 E220H216-T218 PolarHBondContact O-N 3.22Å; T218-E220 PolarHBondContact O-N 3.07Å
219Q35.1Very low44.1Very low163 Ų163120 Ų12076%0.76262%0.623SS**  trans-61.7113.2159-93.1173.7-29.100106.6L205 I217 K221L205-Q219 PolarHBondContact O-NE2 3.39Å; I217-Q219 PolarHBondContact O-N 3.43Å; Q219-K221 PolarHBondContact O-N 3.05Å
220E38.9Very low46.3Very low186 Ų186115.3 Ų115.387%0.86960%0.597SS**PPolyproline II helixtrans-59.8132.4167.6-66.7-170.1162.800107.8T218 F222T218-E220 PolarHBondContact O-N 3.07Å; E220-F222 PolarHBondContact O-N 3.23Å
221K47.4Very low48.3Very low197 Ų197111.9 Ų111.986%0.85758%0.576SS**PPolyproline II helixtrans-66.2132.5178.2-74179.4169.9-178.60108.2Q219 D223Q219-K221 PolarHBondContact O-N 3.05Å; K221-D223 PolarHBondContact O-N 2.9Å; K221-D223 VanDerWaalsContact O-N 3.12Å
222F55.3Low49.7Very low83 Ų83105 Ų10536%0.36456%0.556SS.*PPolyproline II helixtrans-51.8116.3170.3171.7-108.6000110E220 A224 M227 E237 M239E220-F222 PolarHBondContact O-N 3.23Å; F222-A224 HydrophobicContact CD1-CB 4.38Å; F222-A224 HydrophobicContact CE1-CB 3.6Å; F222-A224 HydrophobicContact CZ-CB 3.81Å; F222-M227 HydrophobicContact CD2-CE 4.31Å; F222-M227 HydrophobicContact CE2-CE 3.66Å; F222-M227 HydrophobicContact CE2-SD 3.85Å; F222-M227 HydrophobicContact CZ-CE 4.32Å; F222-M227 HydrophobicContact CZ-SD 4.21Å; F222-E237 HydrophobicContact CD2-CG 4.07Å; F222-E237 HydrophobicContact CE2-CB 3.76Å; F222-E237 HydrophobicContact CE2-CG 3.55Å; F222-E237 HydrophobicContact CZ-CB 4.04Å; F222-E237 HydrophobicContact CZ-CG 4.3Å; F222-M239 HydrophobicContact CZ-CB 4.26Å; F222-M239 HydrophobicContact CZ-CG 4.07Å
223D61.1Low51.8Low79 Ų79104.5 Ų104.542%0.42254%0.541SS..  trans-109.192.9177.1-169.8-11.4000110.1K221 S225 L226 M227K221-D223 PolarHBondContact O-N 2.9Å; K221-D223 VanDerWaalsContact O-N 3.12Å; D223-S225 VanDerWaalsContact CG-OG 3.27Å; D223-S225 PolarHBondContact O-N 3.39Å; D223-S225 VanDerWaalsContact OD1-CB 3.3Å; D223-S225 WeakPolarHBondContact OD1-CB 3.33Å; D223-S225 PolarHBondContact OD1-N 2.77Å; D223-S225 PolarHBondContact OD1-OG 2.85Å; D223-S225 PolarHBondContact OD2-OG 2.6Å; D223-L226 HydrophobicContact CB-CD1 4.37Å; D223-L226 PolarHBondContact O-N 3.5Å; D223-M227 VanDerWaalsContact O-CE 3.27Å; D223-M227 WeakPolarHBondContact O-CE 3.26Å
224A59.1Low53.7Low12 Ų1294 Ų9410%0.09950%0.495CS..G310 helixtrans-62.9-11.1179.700000114F222 L226 M227 D241 N242F222-A224 HydrophobicContact CD1-CB 4.38Å; F222-A224 HydrophobicContact CE1-CB 3.6Å; F222-A224 HydrophobicContact CZ-CB 3.81Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-M227 VanDerWaalsContact O-CG 3.29Å; A224-M227 WeakPolarHBondContact O-CG 3.49Å; A224-D241 CarbonylContact O-C 3.52Å; A224-D241 WeakPolarHBondContact O-CA 3.23Å; A224-N242 HydrophobicContact CB-CB 3.54Å; A224-N242 PolarHBondContact O-N 3.25Å
225S63.3Low55.7Low66 Ų6686.8 Ų86.846%0.46246%0.458SS..G310 helixtrans-76.2-18.3176.472.90000113.6D223D223-S225 VanDerWaalsContact CG-OG 3.27Å; D223-S225 PolarHBondContact O-N 3.39Å; D223-S225 VanDerWaalsContact OD1-CB 3.3Å; D223-S225 WeakPolarHBondContact OD1-CB 3.33Å; D223-S225 PolarHBondContact OD1-N 2.77Å; D223-S225 PolarHBondContact OD1-OG 2.85Å; D223-S225 PolarHBondContact OD2-OG 2.6Å
226L67.6Low57.9Low83 Ų8388.8 Ų88.844%0.43545%0.453SS..G310 helixtrans-96.54.4-178.7-61.5177.1000113.5D223 A224 H228 S229 M230D223-L226 HydrophobicContact CB-CD1 4.37Å; D223-L226 PolarHBondContact O-N 3.5Å; A224-L226 VanDerWaalsContact C-N 3.31Å; L226-H228 VanDerWaalsContact C-N 3.25Å; L226-H228 PolarHBondContact O-N 3.07Å; L226-S229 PolarHBondContact O-N 2.84Å; L226-S229 PolarHBondContact O-OG 3.35Å; L226-M230 HydrophobicContact CB-CE 3.69Å; L226-M230 PolarHBondContact O-N 2.83Å
227M72.2Confident60.1Low1 Ų183.4 Ų83.41%0.00543%0.429CS..G310 helixtrans-58.4-33.8-173.4-69.2-58.8104.500113.4F222 D223 A224 S229 M230 V233 A234 M239 V240F222-M227 HydrophobicContact CD2-CE 4.31Å; F222-M227 HydrophobicContact CE2-CE 3.66Å; F222-M227 HydrophobicContact CE2-SD 3.85Å; F222-M227 HydrophobicContact CZ-CE 4.32Å; F222-M227 HydrophobicContact CZ-SD 4.21Å; D223-M227 VanDerWaalsContact O-CE 3.27Å; D223-M227 WeakPolarHBondContact O-CE 3.26Å; A224-M227 VanDerWaalsContact O-CG 3.29Å; A224-M227 WeakPolarHBondContact O-CG 3.49Å; M227-S229 PolarHBondContact O-N 3.49Å; M227-M230 HydrophobicContact CE-CE 4.05Å; M227-M230 CarbonylContact O-C 3.57Å; M227-M230 VanDerWaalsContact O-C 3.32Å; M227-M230 PolarHBondContact O-N 3.11Å; M227-M230 VanDerWaalsContact O-N 3.16Å; M227-V233 HydrophobicContact CE-CB 4.42Å; M227-V233 HydrophobicContact CE-CG1 3.78Å; M227-V233 HydrophobicContact SD-CB 4.42Å; M227-V233 HydrophobicContact SD-CG1 4Å; M227-A234 HydrophobicContact CB-CB 3.98Å; M227-A234 HydrophobicContact CG-CB 4.47Å; M227-A234 HydrophobicContact SD-CB 4.13Å; M227-M239 HydrophobicContact CG-CB 4.4Å; M227-V240 WeakPolarHBondContact CB-O 3.22Å
228H69Low62.5Low50 Ų5080.3 Ų80.323%0.23141%0.407CS..G310 helixtrans-65.2-22.1175.3-57.7-35.9000114.1L226 V240 Y280 L281 V282L226-H228 VanDerWaalsContact C-N 3.25Å; L226-H228 PolarHBondContact O-N 3.07Å; H228-V240 PolarHBondContact CE1-O 2.75Å; H228-V240 PolarHBondContact ND1-O 3.21Å; H228-Y280 AromaticContact CE1-CD2 3.41Å; H228-Y280 VanDerWaalsContact CE1-CD2 3.41Å; H228-Y280 WeakPolarHBondContact CE1-CD2 3.49Å; H228-Y280 AromaticContact CE1-CE2 3.46Å; H228-Y280 VanDerWaalsContact CE1-CE2 3.46Å; H228-Y280 WeakPolarHBondContact CE1-CE2 3.23Å; H228-Y280 AromaticContact NE2-CD2 3.67Å; H228-L281 PolarHBondContact CD2-O 3.07Å; H228-L281 PolarHBondContact NE2-O 3.17Å; H228-V282 HydrophobicContact CB-CG1 4.2Å
229S69.3Low65.3Low86 Ų8674.7 Ų74.760%0.60137%0.373SS*.G310 helixtrans-94.6-8.8176.966.30000113.5L226 M227L226-S229 PolarHBondContact O-N 2.84Å; L226-S229 PolarHBondContact O-OG 3.35Å; M227-S229 PolarHBondContact O-N 3.49Å
230M72.1Confident67.6Low73 Ų7367.1 Ų67.136%0.3634%0.338SS..  trans-136.972.1-177.1-63.6-176.3-6300110.2L226 M227 E232 V233 A234L226-M230 HydrophobicContact CB-CE 3.69Å; L226-M230 PolarHBondContact O-N 2.83Å; M227-M230 HydrophobicContact CE-CE 4.05Å; M227-M230 CarbonylContact O-C 3.57Å; M227-M230 VanDerWaalsContact O-C 3.32Å; M227-M230 PolarHBondContact O-N 3.11Å; M227-M230 VanDerWaalsContact O-N 3.16Å; M230-E232 VanDerWaalsContact C-N 3.3Å; M230-E232 PolarHBondContact O-N 2.96Å; M230-V233 HydrophobicContact CB-CB 4.09Å; M230-V233 HydrophobicContact CB-CG2 4.03Å; M230-V233 PolarHBondContact O-N 3.37Å; M230-V233 VanDerWaalsContact O-N 3.11Å; M230-V233 HydrophobicContact SD-CG2 4.45Å; M230-A234 PolarHBondContact O-N 2.84Å
231P69.3Low69.9Low46 Ų4658.9 Ų58.930%0.29930%0.3SS..Hα-helixtrans-60.6-35.6-174.122.9-32.7000113V233 A234 A235 G560P231-V233 VanDerWaalsContact C-N 3.32Å; P231-V233 PolarHBondContact O-N 3.48Å; P231-A234 WeakPolarHBondContact O-CB 3.32Å; P231-A234 PolarHBondContact O-N 2.98Å; P231-A235 WeakPolarHBondContact O-CB 3.06Å; P231-A235 PolarHBondContact O-N 3.36Å; P231-G560 VanDerWaalsContact C-CA 3.42Å; P231-G560 VanDerWaalsContact O-CA 3.31Å; P231-G560 WeakPolarHBondContact O-CA 3.45Å
232E64.1Low71.7Confident123 Ų12353.7 Ų53.758%0.57528%0.281SS*.Hα-helixtrans-57.5-44.3174.8-65.5179.1-176.300112.1M230 A235 Q236M230-E232 VanDerWaalsContact C-N 3.3Å; M230-E232 PolarHBondContact O-N 2.96Å; E232-A235 PolarHBondContact O-N 2.83Å; E232-Q236 WeakPolarHBondContact O-CG 3.39Å; E232-Q236 PolarHBondContact O-N 3.03Å
233V71.1Confident73.2Confident45 Ų4549.9 Ų49.927%0.27327%0.266SS..Hα-helixtrans-69-40.6177.4-176.90000110.2M227 M230 P231 A235 Q236 E237M227-V233 HydrophobicContact CE-CB 4.42Å; M227-V233 HydrophobicContact CE-CG1 3.78Å; M227-V233 HydrophobicContact SD-CB 4.42Å; M227-V233 HydrophobicContact SD-CG1 4Å; M230-V233 HydrophobicContact CB-CB 4.09Å; M230-V233 HydrophobicContact CB-CG2 4.03Å; M230-V233 PolarHBondContact O-N 3.37Å; M230-V233 VanDerWaalsContact O-N 3.11Å; M230-V233 HydrophobicContact SD-CG2 4.45Å; P231-V233 VanDerWaalsContact C-N 3.32Å; P231-V233 PolarHBondContact O-N 3.48Å; V233-A235 VanDerWaalsContact C-N 3.31Å; V233-A235 PolarHBondContact O-N 3.16Å; V233-Q236 PolarHBondContact O-N 3.06Å; V233-E237 HydrophobicContact CG1-CG 3.94Å; V233-E237 VanDerWaalsContact O-CB 3.24Å; V233-E237 WeakPolarHBondContact O-CB 3.34Å; V233-E237 VanDerWaalsContact O-CG 3.32Å; V233-E237 WeakPolarHBondContact O-CG 3.39Å; V233-E237 PolarHBondContact O-N 3.43Å
234A72.8Confident74.6Confident0 Ų048.5 Ų48.50%027%0.27CS..Hα-helixtrans-58.8-42.4175.900000112.1M227 M230 P231 R238 M239 P556 T557M227-A234 HydrophobicContact CB-CB 3.98Å; M227-A234 HydrophobicContact CG-CB 4.47Å; M227-A234 HydrophobicContact SD-CB 4.13Å; M230-A234 PolarHBondContact O-N 2.84Å; P231-A234 WeakPolarHBondContact O-CB 3.32Å; P231-A234 PolarHBondContact O-N 2.98Å; A234-R238 VanDerWaalsContact O-CA 3.26Å; A234-R238 WeakPolarHBondContact O-CA 3.36Å; A234-R238 PolarHBondContact O-N 3.32Å; A234-M239 WeakPolarHBondContact CB-O 3.2Å; A234-M239 PolarHBondContact O-N 3.13Å; A234-M239 VanDerWaalsContact O-N 3.11Å; A234-P556 HydrophobicContact CB-CB 3.61Å; A234-T557 WeakPolarHBondContact O-CG2 3.39Å
235A72.6Confident76.1Confident2 Ų249.2 Ų49.22%0.01728%0.279CS..Hα-helixtrans-64.8-48.3176.100000112.5P231 E232 V233 R238 W561P231-A235 WeakPolarHBondContact O-CB 3.06Å; P231-A235 PolarHBondContact O-N 3.36Å; E232-A235 PolarHBondContact O-N 2.83Å; V233-A235 VanDerWaalsContact C-N 3.31Å; V233-A235 PolarHBondContact O-N 3.16Å; A235-R238 PolarHBondContact O-N 2.81Å; A235-W561 HydrophobicContact CB-CD2 4.17Å; A235-W561 HydrophobicContact CB-CG 4.26Å; A235-W561 HydrophobicContact CB-CZ2 4.34Å
236Q70.2Confident77.7Confident124 Ų12451.6 Ų51.658%0.57928%0.282SS*.Hα-helixtrans-64.1-43.2178.4-71174.73.700112.4E232 V233E232-Q236 WeakPolarHBondContact O-CG 3.39Å; E232-Q236 PolarHBondContact O-N 3.03Å; V233-Q236 PolarHBondContact O-N 3.06Å
237E73.5Confident79Confident64 Ų6449 Ų4930%0.29927%0.27SS..Hα-helixtrans-84.4-13.2-177.2-64.3-71.1154.500113F222 V233 M239 R333F222-E237 HydrophobicContact CD2-CG 4.07Å; F222-E237 HydrophobicContact CE2-CB 3.76Å; F222-E237 HydrophobicContact CE2-CG 3.55Å; F222-E237 HydrophobicContact CZ-CB 4.04Å; F222-E237 HydrophobicContact CZ-CG 4.3Å; V233-E237 HydrophobicContact CG1-CG 3.94Å; V233-E237 VanDerWaalsContact O-CB 3.24Å; V233-E237 WeakPolarHBondContact O-CB 3.34Å; V233-E237 VanDerWaalsContact O-CG 3.32Å; V233-E237 WeakPolarHBondContact O-CG 3.39Å; V233-E237 PolarHBondContact O-N 3.43Å; E237-M239 VanDerWaalsContact C-N 3.34Å; E237-M239 HydrophobicContact CB-CG 4.46Å; E237-M239 WeakPolarHBondContact O-CG 3.41Å; E237-R333 WeakPolarHBondContact O-CD 3.17Å; E237-R333 IonicContact OE2-CZ 3.81Å; E237-R333 IonicContact OE2-NH1 3.54Å; E237-R333 PolarHBondContact OE2-NH1 2.64Å; E237-R333 IonicContact OE2-NH2 3.22Å
238R82.4Confident80.2Confident85 Ų8551.7 Ų51.732%0.32128%0.282SS..THydrogen-bonded Turntrans59.842.6179.7-53.4166.5-158.9168.11.1112.7A234 A235 D507A234-R238 VanDerWaalsContact O-CA 3.26Å; A234-R238 WeakPolarHBondContact O-CA 3.36Å; A234-R238 PolarHBondContact O-N 3.32Å; A235-R238 PolarHBondContact O-N 2.81Å; R238-D507 IonicContact CZ-OD1 2.65Å; R238-D507 IonicContact CZ-OD2 3.77Å; R238-D507 IonicContact NH1-OD1 3.96Å; R238-D507 PolarHBondContact NH1-OD1 3.31Å; R238-D507 IonicContact NH1-OD2 2.57Å; R238-D507 PolarHBondContact NH1-OD2 3.47Å; R238-D507 IonicContact NH2-OD1 3.1Å; R238-D507 IonicContact NH2-OD2 2.63Å; R238-D507 PolarHBondContact NH2-OD2 3.18Å
239M84.6Confident81.6Confident1 Ų149.5 Ų49.51%0.00527%0.273CS..  trans-129.9117.1-176.2-67.6-64.1-68.300108.6F222 M227 A234 E237 D241 R333 H334 A337F222-M239 HydrophobicContact CZ-CB 4.26Å; F222-M239 HydrophobicContact CZ-CG 4.07Å; M227-M239 HydrophobicContact CG-CB 4.4Å; A234-M239 WeakPolarHBondContact CB-O 3.2Å; A234-M239 PolarHBondContact O-N 3.13Å; A234-M239 VanDerWaalsContact O-N 3.11Å; E237-M239 VanDerWaalsContact C-N 3.34Å; E237-M239 HydrophobicContact CB-CG 4.46Å; E237-M239 WeakPolarHBondContact O-CG 3.41Å; M239-D241 WeakPolarHBondContact CE-O 3.45Å; M239-R333 HydrophobicContact CG-CG 4.48Å; M239-R333 HydrophobicContact SD-CB 4.01Å; M239-R333 HydrophobicContact SD-CG 3.69Å; M239-H334 VanDerWaalsContact SD-CA 3.5Å; M239-H334 HydrophobicContact SD-CB 3.94Å; M239-H334 PolarHBondContact SD-N 3.27Å; M239-H334 VanDerWaalsContact SD-N 3.43Å; M239-A337 HydrophobicContact CE-CB 3.54Å; M239-A337 HydrophobicContact SD-CB 4.35Å
240V83.9Confident82.9Confident3 Ų347 Ų472%0.01825%0.25CC..SBendtrans-73.7-34.3171.7-63.30000111.1M227 H228 Y280 L289 H334 P555 T557M227-V240 WeakPolarHBondContact CB-O 3.22Å; H228-V240 PolarHBondContact CE1-O 2.75Å; H228-V240 PolarHBondContact ND1-O 3.21Å; V240-Y280 HydrophobicContact CB-CE2 4.26Å; V240-Y280 HydrophobicContact CG2-CE1 4.36Å; V240-Y280 HydrophobicContact CG2-CE2 4.37Å; V240-L289 HydrophobicContact CG1-CD1 4.28Å; V240-L289 HydrophobicContact CG2-CD1 3.75Å; V240-H334 VanDerWaalsContact CG2-NE2 3.28Å; V240-H334 WeakPolarHBondContact CG2-NE2 3.35Å; V240-P555 HydrophobicContact CG1-CB 3.94Å; V240-T557 HydrophobicContact CG1-CG2 3.62Å
241D86.4Confident84Confident14 Ų1444.2 Ų44.28%0.07524%0.235CC..SBendtrans-154.9-156.4174.272.20.4000109.9A224 M239 G243 Y278 Y280 H334A224-D241 CarbonylContact O-C 3.52Å; A224-D241 WeakPolarHBondContact O-CA 3.23Å; M239-D241 WeakPolarHBondContact CE-O 3.45Å; D241-G243 PolarHBondContact OD1-N 3.17Å; D241-Y278 PolarHBondContact OD1-OH 3.09Å; D241-Y278 PolarHBondContact OD2-OH 3.09Å; D241-Y280 WeakPolarHBondContact OD2-CB 3.38Å; D241-H334 IonicContact OD1-CD2 2.64Å; D241-H334 IonicContact OD1-NE2 3.66Å; D241-H334 PolarHBondContact OD1-NE2 3.44Å
242N85.9Confident85.2Confident88 Ų8842 Ų4247%0.47122%0.221SC..  trans-90.38.3179.469.9-3.5000115.6A224 G244A224-N242 HydrophobicContact CB-CB 3.54Å; A224-N242 PolarHBondContact O-N 3.25Å; N242-G244 VanDerWaalsContact C-N 3.3Å; N242-G244 WeakPolarHBondContact OD1-CA 3.17Å; N242-G244 PolarHBondContact OD1-N 3.13Å
243G87.9Confident86.5Confident3 Ų338 Ų383%0.03120%0.202CC..SBendtrans74.615.9-174.500000114.2D241 Y278D241-G243 PolarHBondContact OD1-N 3.17Å; G243-Y278 VanDerWaalsContact CA-OH 3.23Å; G243-Y278 WeakPolarHBondContact CA-OH 3.32Å
244G89.4Confident87.2Confident50 Ų5042.6 Ų42.652%0.51523%0.226SC..  trans-88.4-0.6-176.200000116.1N242 Y278N242-G244 VanDerWaalsContact C-N 3.3Å; N242-G244 WeakPolarHBondContact OD1-CA 3.17Å; N242-G244 PolarHBondContact OD1-N 3.13Å; G244-Y278 PolarHBondContact N-OH 3.04Å; G244-Y278 VanDerWaalsContact N-OH 3.15Å
245G91.3Very high87.9Confident27 Ų2746.5 Ų46.528%0.27825%0.246SC..SBendtrans-71.3-177.5-179.200000114.4Y278 T279G245-Y278 VanDerWaalsContact CA-CE2 3.49Å; G245-Y278 WeakPolarHBondContact CA-OH 3.4Å; G245-Y278 PolarHBondContact N-OH 3.39Å; G245-T279 CarbonylContact C-O 3.54Å; G245-T279 WeakPolarHBondContact CA-O 3.38Å
246Q95.4Very high88.9Confident116 Ų11652.3 Ų52.354%0.54227%0.273SS..EExtended strand (participates in β ladder)trans-81.2130.2179.2-1781791.100110Y278 T279Q246-Y278 CarbonylContact O-C 3.54Å; Q246-Y278 WeakPolarHBondContact O-CA 3.27Å; Q246-T279 PolarHBondContact N-O 2.98Å; Q246-T279 PolarHBondContact O-N 2.72Å
247V96.2Very high90Very high29 Ų2948.4 Ų48.418%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-114132.8179.6-176.90000109.2V249 Y265 I276 Y278 M338V247-V249 HydrophobicContact CG1-CG2 3.77Å; V247-Y265 HydrophobicContact CB-CE2 4.34Å; V247-Y265 HydrophobicContact CG1-CD2 4.22Å; V247-Y265 HydrophobicContact CG1-CE2 4.13Å; V247-Y265 WeakPolarHBondContact O-CE2 3.33Å; V247-I276 HydrophobicContact CG1-CG2 3.62Å; V247-Y278 HydrophobicContact CG2-CD2 3.8Å; V247-Y278 HydrophobicContact CG2-CE2 4.19Å; V247-M338 HydrophobicContact CG2-CB 4.33Å; V247-M338 HydrophobicContact CG2-CG 4.47Å; V247-M338 HydrophobicContact CG2-SD 4.14Å
248E96.9Very high91Very high57 Ų5746.3 Ų46.327%0.26625%0.249SC..EExtended strand (participates in β ladder)trans-122.9130.2166.1-62179.98500108.5W250 I276 L277 Y317E248-W250 HydrophobicContact CB-CE3 4.46Å; E248-W250 HydrophobicContact CB-CH2 3.25Å; E248-W250 HydrophobicContact CB-CZ2 3.89Å; E248-W250 HydrophobicContact CB-CZ3 3.59Å; E248-W250 HydrophobicContact CG-CH2 4.15Å; E248-W250 WeakPolarHBondContact O-CZ3 3.38Å; E248-I276 CarbonylContact O-C 3.52Å; E248-I276 WeakPolarHBondContact O-CA 3.05Å; E248-L277 HydrophobicContact CB-CB 4.48Å; E248-L277 PolarHBondContact N-O 3.17Å; E248-L277 PolarHBondContact O-N 3.1Å; E248-Y317 PolarHBondContact OE2-OH 2.84Å
249V97.4Very high91.7Very high4 Ų447.1 Ų47.12%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-121130.7-177-174.30000110.6V247 V260 Y265 Y274 L275 I276V247-V249 HydrophobicContact CG1-CG2 3.77Å; V249-V260 HydrophobicContact CB-CB 4.18Å; V249-V260 HydrophobicContact CB-CG2 4.48Å; V249-V260 HydrophobicContact CG1-CB 4.02Å; V249-V260 HydrophobicContact CG1-CG2 3.85Å; V249-V260 PolarHBondContact O-N 2.85Å; V249-Y265 HydrophobicContact CB-CD1 3.95Å; V249-Y265 HydrophobicContact CB-CE1 3.54Å; V249-Y265 HydrophobicContact CB-CE2 4.48Å; V249-Y265 HydrophobicContact CG2-CD1 3.76Å; V249-Y265 HydrophobicContact CG2-CD2 3.94Å; V249-Y265 HydrophobicContact CG2-CE1 3.66Å; V249-Y265 HydrophobicContact CG2-CE2 3.84Å; V249-Y265 HydrophobicContact CG2-CG 3.91Å; V249-Y265 PolarHBondContact N-OH 3.12Å; V249-Y265 VanDerWaalsContact N-OH 3.13Å; V249-Y274 HydrophobicContact CG1-CD1 4.26Å; V249-L275 WeakPolarHBondContact CA-O 3.42Å; V249-I276 HydrophobicContact CG1-CG1 4.21Å; V249-I276 HydrophobicContact CG2-CG1 4.22Å; V249-I276 HydrophobicContact CG2-CG2 4.14Å
250W97.3Very high92.2Very high33 Ų3347.9 Ų47.913%0.12527%0.27CS..EExtended strand (participates in β ladder)trans-121.3150.7170.1-59.6-92.9000110.5E248 L257 A258 Y274 L275 L277 L313E248-W250 HydrophobicContact CB-CE3 4.46Å; E248-W250 HydrophobicContact CB-CH2 3.25Å; E248-W250 HydrophobicContact CB-CZ2 3.89Å; E248-W250 HydrophobicContact CB-CZ3 3.59Å; E248-W250 HydrophobicContact CG-CH2 4.15Å; E248-W250 WeakPolarHBondContact O-CZ3 3.38Å; W250-L257 HydrophobicContact CB-CB 4.17Å; W250-L257 HydrophobicContact CB-CD2 3.91Å; W250-L257 HydrophobicContact CB-CG 4.47Å; W250-L257 HydrophobicContact CG-CB 4.22Å; W250-L257 HydrophobicContact CG-CD1 4.5Å; W250-A258 CarbonylContact C-O 3.59Å; W250-A258 VanDerWaalsContact CA-O 3.26Å; W250-A258 WeakPolarHBondContact CA-O 3.26Å; W250-Y274 CarbonylContact O-C 3.56Å; W250-Y274 WeakPolarHBondContact O-CA 3.48Å; W250-Y274 WeakPolarHBondContact O-CB 3.48Å; W250-L275 PolarHBondContact N-O 3.33Å; W250-L275 PolarHBondContact O-N 3.3Å; W250-L277 HydrophobicContact CH2-CB 4.09Å; W250-L277 HydrophobicContact CH2-CD2 4.48Å; W250-L277 HydrophobicContact CZ3-CB 3.64Å; W250-L313 HydrophobicContact CE3-CD1 4.04Å; W250-L313 HydrophobicContact CZ3-CD1 4.11Å
251R96.1Very high92.5Very high15 Ų1552.4 Ų52.46%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-108.7144.3168.617917758.5-135.65.4108.4E253 A258 V260 D272 C273 Y274 S351R251-E253 HydrophobicContact CG-CG 4.21Å; R251-E253 IonicContact CZ-OE1 2.65Å; R251-E253 IonicContact NE-OE1 3.62Å; R251-E253 PolarHBondContact NE-OE1 2.85Å; R251-E253 IonicContact NH2-OE1 3.18Å; R251-E253 PolarHBondContact NH2-OE1 2.78Å; R251-E253 IonicContact NH2-OE2 2.72Å; R251-A258 PolarHBondContact N-O 2.82Å; R251-A258 PolarHBondContact O-N 3.31Å; R251-V260 HydrophobicContact CB-CG2 3.91Å; R251-D272 WeakPolarHBondContact CD-OD2 3.45Å; R251-D272 HydrophobicContact CG-CB 4.22Å; R251-C273 WeakPolarHBondContact CA-O 3.21Å; R251-Y274 HydrophobicContact CB-CD1 4.05Å; R251-Y274 HydrophobicContact CB-CE1 4.02Å; R251-Y274 HydrophobicContact CG-CD1 4.43Å; R251-Y274 HydrophobicContact CG-CE1 4.11Å; R251-S351 VanDerWaalsContact CZ-C 3.47Å; R251-S351 PolarHBondContact NH1-O 2.88Å; R251-S351 PolarHBondContact NH1-OG 2.81Å; R251-S351 PolarHBondContact NH2-O 3.08Å
252V94.4Very high92.8Very high0 Ų056.2 Ų56.20%032%0.32CS..EExtended strand (participates in β ladder)trans-79.7120.9171.1-179.40000109.1E256 L257 C273 L275 E302 A305V252-E256 WeakPolarHBondContact CA-O 3.06Å; V252-L257 HydrophobicContact CG2-CD2 4.39Å; V252-C273 HydrophobicContact CB-CB 4.21Å; V252-C273 HydrophobicContact CG2-CB 3.99Å; V252-C273 PolarHBondContact N-O 2.94Å; V252-L275 HydrophobicContact CG2-CD1 3.78Å; V252-E302 HydrophobicContact CG1-CB 4.45Å; V252-E302 HydrophobicContact CG1-CG 4.43Å; V252-A305 HydrophobicContact CG1-CB 3.81Å
253E90.6Very high92.9Very high38 Ų3860.7 Ų60.718%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-138.1127.3177.9-74.9178.6-123.700110.3R251 L255 E256 A258 R352R251-E253 HydrophobicContact CG-CG 4.21Å; R251-E253 IonicContact CZ-OE1 2.65Å; R251-E253 IonicContact NE-OE1 3.62Å; R251-E253 PolarHBondContact NE-OE1 2.85Å; R251-E253 IonicContact NH2-OE1 3.18Å; R251-E253 PolarHBondContact NH2-OE1 2.78Å; R251-E253 IonicContact NH2-OE2 2.72Å; E253-L255 PolarHBondContact O-N 3.45Å; E253-L255 VanDerWaalsContact O-N 3.15Å; E253-E256 PolarHBondContact N-O 3.37Å; E253-E256 PolarHBondContact O-N 3.01Å; E253-A258 HydrophobicContact CB-CB 4.21Å; E253-A258 HydrophobicContact CG-CB 4.15Å; E253-A258 WeakPolarHBondContact OE1-CB 3.33Å; E253-R352 HydrophobicContact CG-CG 3.75Å
254N86.6Confident92.9Very high142 Ų14261.7 Ų61.776%0.75935%0.345SS*.THydrogen-bonded Turntrans50.837.9-177.2-52.5-52.1000112E256N254-E256 PolarHBondContact O-N 3.48Å
255L87.4Confident93Very high82 Ų8262.5 Ų62.543%0.42933%0.333SS..THydrogen-bonded Turntrans68.27.3-177.3-42.9176.1000115.6E253 D301 A305 Q309E253-L255 PolarHBondContact O-N 3.45Å; E253-L255 VanDerWaalsContact O-N 3.15Å; L255-D301 HydrophobicContact CD2-CB 4.02Å; L255-A305 HydrophobicContact CB-CB 3.99Å; L255-A305 HydrophobicContact CD2-CB 3.77Å; L255-A305 HydrophobicContact CG-CB 4.49Å; L255-Q309 PolarHBondContact O-NE2 3.24Å
256E92.6Very high93Very high123 Ų12361.2 Ų61.258%0.57532%0.32SS*.EExtended strand (participates in β ladder)trans-115.2163.2179.2-67.6-64.8169.400112.4V252 E253 N254 Q309V252-E256 WeakPolarHBondContact CA-O 3.06Å; E253-E256 PolarHBondContact N-O 3.37Å; E253-E256 PolarHBondContact O-N 3.01Å; N254-E256 PolarHBondContact O-N 3.48Å; E256-Q309 PolarHBondContact OE2-NE2 3.13Å
257L94Very high92.9Very high42 Ų4257.5 Ų57.522%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-84.5116.5175.8-66.8-179.8000111.7W250 V252 L275 Q309 L313W250-L257 HydrophobicContact CB-CB 4.17Å; W250-L257 HydrophobicContact CB-CD2 3.91Å; W250-L257 HydrophobicContact CB-CG 4.47Å; W250-L257 HydrophobicContact CG-CB 4.22Å; W250-L257 HydrophobicContact CG-CD1 4.5Å; V252-L257 HydrophobicContact CG2-CD2 4.39Å; L257-L275 HydrophobicContact CD2-CB 4.39Å; L257-L275 HydrophobicContact CD2-CD1 3.9Å; L257-L275 HydrophobicContact CD2-CD2 4.08Å; L257-L275 HydrophobicContact CD2-CG 4.35Å; L257-Q309 HydrophobicContact CD1-CB 4.11Å; L257-Q309 HydrophobicContact CD2-CB 3.74Å; L257-Q309 HydrophobicContact CD2-CG 4.05Å; L257-Q309 HydrophobicContact CG-CB 3.83Å; L257-Q309 HydrophobicContact CG-CG 3.94Å; L257-L313 HydrophobicContact CD1-CD1 3.64Å; L257-L313 HydrophobicContact CD1-CD2 4.31Å; L257-L313 HydrophobicContact CD1-CG 3.77Å
258A95.1Very high92.8Very high20 Ų2056.2 Ų56.217%0.16529%0.294CS..EExtended strand (participates in β ladder)trans-104.5125.417100000110.1W250 R251 E253 V260W250-A258 CarbonylContact C-O 3.59Å; W250-A258 VanDerWaalsContact CA-O 3.26Å; W250-A258 WeakPolarHBondContact CA-O 3.26Å; R251-A258 PolarHBondContact N-O 2.82Å; R251-A258 PolarHBondContact O-N 3.31Å; E253-A258 HydrophobicContact CB-CB 4.21Å; E253-A258 HydrophobicContact CG-CB 4.15Å; E253-A258 WeakPolarHBondContact OE1-CB 3.33Å; A258-V260 PolarHBondContact O-N 3.3Å
259P95.8Very high92.6Very high103 Ų10356.2 Ų56.267%0.66929%0.292SS*.EExtended strand (participates in β ladder)trans-66.1136.2178.727.4-33.6000110.7
260V94.9Very high92.3Very high17 Ų1756 Ų5610%0.10329%0.291CS..PPolyproline II helixtrans-84.9139.9174.41800000109.2V249 R251 A258 Y265 Y274V249-V260 HydrophobicContact CB-CB 4.18Å; V249-V260 HydrophobicContact CB-CG2 4.48Å; V249-V260 HydrophobicContact CG1-CB 4.02Å; V249-V260 HydrophobicContact CG1-CG2 3.85Å; V249-V260 PolarHBondContact O-N 2.85Å; R251-V260 HydrophobicContact CB-CG2 3.91Å; A258-V260 PolarHBondContact O-N 3.3Å; V260-Y265 HydrophobicContact CB-CD1 4.49Å; V260-Y265 HydrophobicContact CB-CE1 4.19Å; V260-Y265 HydrophobicContact CG1-CD1 4.23Å; V260-Y265 HydrophobicContact CG1-CE1 4.38Å; V260-Y265 WeakPolarHBondContact O-CE1 3.32Å; V260-Y274 HydrophobicContact CG2-CD1 4.26Å; V260-Y274 HydrophobicContact CG2-CE1 4.31Å
261D91.8Very high92Very high98 Ų9855.3 Ų55.352%0.52429%0.293SS..PPolyproline II helixtrans-61.7137.2174.1-174.5-77.2000109.8K263 G264 Y265D261-K263 PolarHBondContact O-N 3.27Å; D261-K263 WeakPolarHBondContact OD1-CB 3.22Å; D261-K263 VanDerWaalsContact OD1-CG 3.3Å; D261-K263 WeakPolarHBondContact OD1-CG 3.48Å; D261-K263 PolarHBondContact OD1-N 3.46Å; D261-G264 VanDerWaalsContact O-CA 3.32Å; D261-G264 WeakPolarHBondContact O-CA 3.33Å; D261-G264 PolarHBondContact O-N 3.19Å; D261-Y265 WeakPolarHBondContact O-CD1 3.47Å
262P91.3Very high91.8Very high93 Ų9354.6 Ų54.660%0.60429%0.29SS*.G310 helixtrans-54.3-26179.2-29.736.8000115.1G264 Y265P262-G264 PolarHBondContact O-N 3.32Å; P262-Y265 WeakPolarHBondContact O-CB 3.49Å; P262-Y265 PolarHBondContact O-N 3.4Å
263K87.6Confident91.9Very high183 Ų18354.6 Ų54.680%0.79629%0.29SS*.G310 helixtrans-69.1-24.6173.1-62.6172.8-179.3173.30112.8D261 Y265 Y267D261-K263 PolarHBondContact O-N 3.27Å; D261-K263 WeakPolarHBondContact OD1-CB 3.22Å; D261-K263 VanDerWaalsContact OD1-CG 3.3Å; D261-K263 WeakPolarHBondContact OD1-CG 3.48Å; D261-K263 PolarHBondContact OD1-N 3.46Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y267 WeakPolarHBondContact O-CE2 3.31Å
264G87.8Confident92.2Very high24 Ų2452.8 Ų52.825%0.24728%0.282CS..G310 helixtrans-84.2-1.2174.700000113.9D261 P262 G266 Y267D261-G264 VanDerWaalsContact O-CA 3.32Å; D261-G264 WeakPolarHBondContact O-CA 3.33Å; D261-G264 PolarHBondContact O-N 3.19Å; P262-G264 PolarHBondContact O-N 3.32Å; G264-G266 PolarHBondContact O-N 2.89Å; G264-Y267 WeakPolarHBondContact O-CD2 3.24Å; G264-Y267 PolarHBondContact O-N 3.37Å
265Y93Very high92.7Very high66 Ų6646 Ų4626%0.25925%0.246SC..THydrogen-bonded Turntrans-68.2130.3178.7-75.919.1000110.3V247 V249 V260 D261 P262 K263V247-Y265 HydrophobicContact CB-CE2 4.34Å; V247-Y265 HydrophobicContact CG1-CD2 4.22Å; V247-Y265 HydrophobicContact CG1-CE2 4.13Å; V247-Y265 WeakPolarHBondContact O-CE2 3.33Å; V249-Y265 HydrophobicContact CB-CD1 3.95Å; V249-Y265 HydrophobicContact CB-CE1 3.54Å; V249-Y265 HydrophobicContact CB-CE2 4.48Å; V249-Y265 HydrophobicContact CG2-CD1 3.76Å; V249-Y265 HydrophobicContact CG2-CD2 3.94Å; V249-Y265 HydrophobicContact CG2-CE1 3.66Å; V249-Y265 HydrophobicContact CG2-CE2 3.84Å; V249-Y265 HydrophobicContact CG2-CG 3.91Å; V249-Y265 PolarHBondContact N-OH 3.12Å; V249-Y265 VanDerWaalsContact N-OH 3.13Å; V260-Y265 HydrophobicContact CB-CD1 4.49Å; V260-Y265 HydrophobicContact CB-CE1 4.19Å; V260-Y265 HydrophobicContact CG1-CD1 4.23Å; V260-Y265 HydrophobicContact CG1-CE1 4.38Å; V260-Y265 WeakPolarHBondContact O-CE1 3.32Å; D261-Y265 WeakPolarHBondContact O-CD1 3.47Å; P262-Y265 WeakPolarHBondContact O-CB 3.49Å; P262-Y265 PolarHBondContact O-N 3.4Å; K263-Y265 VanDerWaalsContact C-N 3.33Å
266G91Very high93.2Very high1 Ų142.1 Ų42.11%0.0123%0.225CC..THydrogen-bonded Turntrans92.9-5.9-175.200000114.5G264 M343 V344G264-G266 PolarHBondContact O-N 2.89Å; G266-M343 CarbonylContact O-C 3.54Å; G266-M343 WeakPolarHBondContact O-CA 3.24Å; G266-V344 PolarHBondContact O-N 3.06Å
267Y92.5Very high93.5Very high38 Ų3836.3 Ų36.315%0.14920%0.198CC..EExtended strand (participates in β ladder)trans-103.5113.3175.8-58.7-79.8000110.5K263 G264 V344 F346 V423K263-Y267 WeakPolarHBondContact O-CE2 3.31Å; G264-Y267 WeakPolarHBondContact O-CD2 3.24Å; G264-Y267 PolarHBondContact O-N 3.37Å; Y267-V344 WeakPolarHBondContact CA-O 3.43Å; Y267-V344 HydrophobicContact CD1-CB 3.79Å; Y267-V344 HydrophobicContact CD1-CG1 4.45Å; Y267-V344 HydrophobicContact CD1-CG2 4.08Å; Y267-V344 HydrophobicContact CE1-CB 3.97Å; Y267-V344 HydrophobicContact CE1-CG2 3.71Å; Y267-F346 HydrophobicContact CD1-CE2 4.04Å; Y267-F346 HydrophobicContact CD1-CZ 4.19Å; Y267-V423 HydrophobicContact CE1-CG1 3.88Å; Y267-V423 HydrophobicContact CE2-CG1 4.28Å; Y267-V423 VanDerWaalsContact CZ-CG1 3.41Å; Y267-V423 WeakPolarHBondContact OH-CB 3.36Å; Y267-V423 WeakPolarHBondContact OH-CG1 3.32Å
268F94.1Very high93.6Very high2 Ų234.3 Ų34.31%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-117.5137.8-177.9-61.9-87.2000110Y274 I276 W293 F335 F339 M343 V344 I345 F346F268-Y274 HydrophobicContact CB-CE2 4.41Å; F268-Y274 HydrophobicContact CD1-CD1 4.26Å; F268-Y274 AromaticContact CD1-CD2 3.68Å; F268-Y274 HydrophobicContact CD1-CD2 3.68Å; F268-Y274 HydrophobicContact CD1-CE2 4.08Å; F268-Y274 AromaticContact CD1-CG 3.8Å; F268-Y274 HydrophobicContact CD1-CG 3.8Å; F268-Y274 HydrophobicContact CE1-CD1 4.43Å; F268-Y274 HydrophobicContact CE1-CD2 4.38Å; F268-Y274 HydrophobicContact CE1-CG 4.06Å; F268-I276 HydrophobicContact CE1-CD1 4.07Å; F268-I276 HydrophobicContact CE1-CG1 4.36Å; F268-W293 HydrophobicContact CB-CD2 4.4Å; F268-W293 HydrophobicContact CB-CE3 4.37Å; F268-W293 HydrophobicContact CB-CH2 3.88Å; F268-W293 HydrophobicContact CB-CZ2 3.94Å; F268-W293 HydrophobicContact CB-CZ3 4.11Å; F268-W293 HydrophobicContact CD1-CD2 4.11Å; F268-W293 HydrophobicContact CD1-CE3 4.26Å; F268-W293 HydrophobicContact CD1-CG 4.29Å; F268-W293 HydrophobicContact CG-CD2 4.45Å; F268-F335 AromaticContact CE1-CZ 3.96Å; F268-F335 HydrophobicContact CE1-CZ 3.96Å; F268-F335 HydrophobicContact CE2-CE1 4.13Å; F268-F335 HydrophobicContact CE2-CZ 4.16Å; F268-F335 HydrophobicContact CZ-CE1 4.05Å; F268-F335 AromaticContact CZ-CZ 3.61Å; F268-F335 HydrophobicContact CZ-CZ 3.61Å; F268-F339 HydrophobicContact CE2-CD2 4.36Å; F268-F339 HydrophobicContact CE2-CE1 4.37Å; F268-F339 AromaticContact CE2-CE2 3.75Å; F268-F339 HydrophobicContact CE2-CE2 3.75Å; F268-F339 AromaticContact CE2-CZ 3.77Å; F268-F339 HydrophobicContact CE2-CZ 3.77Å; F268-F339 HydrophobicContact CZ-CE1 4.3Å; F268-F339 AromaticContact CZ-CE2 3.86Å; F268-F339 HydrophobicContact CZ-CE2 3.86Å; F268-F339 AromaticContact CZ-CZ 3.54Å; F268-F339 HydrophobicContact CZ-CZ 3.54Å; F268-M343 HydrophobicContact CD2-CE 3.38Å; F268-M343 HydrophobicContact CD2-CG 4.22Å; F268-M343 HydrophobicContact CE2-CE 3.65Å; F268-M343 HydrophobicContact CE2-CG 4.22Å; F268-M343 HydrophobicContact CG-CE 4.17Å; F268-V344 PolarHBondContact N-O 2.92Å; F268-I345 CarbonylContact O-C 3.52Å; F268-I345 WeakPolarHBondContact O-CA 3.43Å; F268-F346 WeakPolarHBondContact O-CD2 3.24Å; F268-F346 PolarHBondContact O-N 2.78Å
269Y93.4Very high93.6Very high57 Ų5734.1 Ų34.122%0.22418%0.184CC..EExtended strand (participates in β ladder)trans-113.8129.3-178.4-68.7-106.2000109.4G271 D272 Y274 W293 F346 S351Y269-G271 PolarHBondContact O-N 3Å; Y269-D272 PolarHBondContact O-N 2.83Å; Y269-Y274 WeakPolarHBondContact CD2-OH 3.46Å; Y269-Y274 PolarHBondContact N-OH 2.81Å; Y269-W293 WeakPolarHBondContact O-CZ3 3.42Å; Y269-F346 HydrophobicContact CD1-CB 3.96Å; Y269-F346 AromaticContact CD1-CD2 3.73Å; Y269-F346 HydrophobicContact CD1-CD2 3.73Å; Y269-F346 HydrophobicContact CD1-CG 4.1Å; Y269-F346 AromaticContact CD2-CD2 3.83Å; Y269-F346 HydrophobicContact CD2-CD2 3.83Å; Y269-F346 HydrophobicContact CD2-CE2 4.39Å; Y269-F346 HydrophobicContact CE1-CB 4.34Å; Y269-F346 AromaticContact CE1-CD2 3.51Å; Y269-F346 HydrophobicContact CE1-CD2 3.51Å; Y269-F346 AromaticContact CE1-CE2 3.97Å; Y269-F346 HydrophobicContact CE1-CE2 3.97Å; Y269-F346 HydrophobicContact CE1-CG 4.01Å; Y269-F346 AromaticContact CE2-CD2 3.57Å; Y269-F346 HydrophobicContact CE2-CD2 3.57Å; Y269-F346 AromaticContact CE2-CE2 3.7Å; Y269-F346 HydrophobicContact CE2-CE2 3.7Å; Y269-F346 HydrophobicContact CG-CB 4.36Å; Y269-F346 AromaticContact CG-CD2 3.91Å; Y269-F346 HydrophobicContact CG-CD2 3.91Å; Y269-F346 AromaticContact CZ-CD2 3.43Å; Y269-F346 VanDerWaalsContact CZ-CD2 3.43Å; Y269-F346 AromaticContact CZ-CE2 3.48Å; Y269-F346 VanDerWaalsContact CZ-CE2 3.48Å; Y269-S351 VanDerWaalsContact CE2-CB 3.49Å
270G90.1Very high93.4Very high0 Ų029.6 Ų29.60%015%0.154CC..THydrogen-bonded Turntrans-62-15.7-176.700000114.7G295 R296 H297 A298 F346 D347G270-G295 CarbonylContact O-C 3.09Å; G270-G295 WeakPolarHBondContact O-CA 3.5Å; G270-R296 PolarHBondContact O-N 3.18Å; G270-H297 CarbonylContact O-C 3.4Å; G270-H297 VanDerWaalsContact O-CA 3.31Å; G270-H297 WeakPolarHBondContact O-CA 3.48Å; G270-H297 WeakPolarHBondContact O-CB 3.26Å; G270-H297 PolarHBondContact O-N 3.41Å; G270-A298 PolarHBondContact O-N 2.88Å; G270-F346 PolarHBondContact N-O 2.82Å; G270-D347 WeakPolarHBondContact CA-O 3.32Å
271G90.9Very high92.9Very high17 Ų1733.6 Ų33.618%0.17517%0.174CC..THydrogen-bonded Turntrans-86.8-1.2173.200000115.3Y269 G349Y269-G271 PolarHBondContact O-N 3Å; G271-G349 VanDerWaalsContact CA-O 3.26Å; G271-G349 WeakPolarHBondContact CA-O 3.46Å; G271-G349 PolarHBondContact N-O 3.14Å
272D93.9Very high92.2Very high0 Ų030.2 Ų30.20%016%0.157CC..  trans-120.3161.7-176.6-68.3-40.6000112.2R251 Y269 Y274 G295 T350 S351 R352R251-D272 WeakPolarHBondContact CD-OD2 3.45Å; R251-D272 HydrophobicContact CG-CB 4.22Å; Y269-D272 PolarHBondContact O-N 2.83Å; D272-Y274 HydrophobicContact CB-CD2 4.27Å; D272-Y274 HydrophobicContact CB-CE2 3.42Å; D272-Y274 VanDerWaalsContact CB-CE2 3.42Å; D272-Y274 WeakPolarHBondContact CB-OH 3.47Å; D272-Y274 PolarHBondContact OD2-OH 3.04Å; D272-G295 WeakPolarHBondContact O-CA 3.29Å; D272-G295 PolarHBondContact O-N 3.02Å; D272-G295 VanDerWaalsContact O-N 3.12Å; D272-T350 WeakPolarHBondContact OD1-CB 3.31Å; D272-T350 PolarHBondContact OD1-OG1 3.03Å; D272-T350 WeakPolarHBondContact OD2-CA 3.5Å; D272-T350 PolarHBondContact OD2-OG1 3.27Å; D272-S351 PolarHBondContact OD2-N 2.88Å; D272-S351 PolarHBondContact OD2-OG 2.66Å; D272-R352 IonicContact OD1-CZ 2.71Å; D272-R352 IonicContact OD1-NE 2.89Å; D272-R352 PolarHBondContact OD1-NE 3.36Å; D272-R352 VanDerWaalsContact OD1-NE 3.11Å; D272-R352 IonicContact OD1-NH2 2.57Å; D272-R352 PolarHBondContact OD1-NH2 3.24Å
273C95.3Very high91.5Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-110.4141.7164.8-64.70000110.5R251 V252 W293 A298R251-C273 WeakPolarHBondContact CA-O 3.21Å; V252-C273 HydrophobicContact CB-CB 4.21Å; V252-C273 HydrophobicContact CG2-CB 3.99Å; V252-C273 PolarHBondContact N-O 2.94Å; C273-W293 WeakPolarHBondContact CA-O 3.26Å; C273-A298 WeakPolarHBondContact SG-CB 3.3Å
274Y97.3Very high91Very high1 Ų130.9 Ų30.90%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-126.6142-179.2-58.4-100.7000111V249 W250 R251 V260 F268 Y269 D272 W293 S351V249-Y274 HydrophobicContact CG1-CD1 4.26Å; W250-Y274 CarbonylContact O-C 3.56Å; W250-Y274 WeakPolarHBondContact O-CA 3.48Å; W250-Y274 WeakPolarHBondContact O-CB 3.48Å; R251-Y274 HydrophobicContact CB-CD1 4.05Å; R251-Y274 HydrophobicContact CB-CE1 4.02Å; R251-Y274 HydrophobicContact CG-CD1 4.43Å; R251-Y274 HydrophobicContact CG-CE1 4.11Å; V260-Y274 HydrophobicContact CG2-CD1 4.26Å; V260-Y274 HydrophobicContact CG2-CE1 4.31Å; F268-Y274 HydrophobicContact CB-CE2 4.41Å; F268-Y274 HydrophobicContact CD1-CD1 4.26Å; F268-Y274 AromaticContact CD1-CD2 3.68Å; F268-Y274 HydrophobicContact CD1-CD2 3.68Å; F268-Y274 HydrophobicContact CD1-CE2 4.08Å; F268-Y274 AromaticContact CD1-CG 3.8Å; F268-Y274 HydrophobicContact CD1-CG 3.8Å; F268-Y274 HydrophobicContact CE1-CD1 4.43Å; F268-Y274 HydrophobicContact CE1-CD2 4.38Å; F268-Y274 HydrophobicContact CE1-CG 4.06Å; Y269-Y274 WeakPolarHBondContact CD2-OH 3.46Å; Y269-Y274 PolarHBondContact N-OH 2.81Å; D272-Y274 HydrophobicContact CB-CD2 4.27Å; D272-Y274 HydrophobicContact CB-CE2 3.42Å; D272-Y274 VanDerWaalsContact CB-CE2 3.42Å; D272-Y274 WeakPolarHBondContact CB-OH 3.47Å; D272-Y274 PolarHBondContact OD2-OH 3.04Å; Y274-W293 AromaticContact CD2-CE3 3.68Å; Y274-W293 HydrophobicContact CD2-CE3 3.68Å; Y274-W293 HydrophobicContact CD2-CZ3 4.08Å; Y274-W293 HydrophobicContact CE2-CE3 4.18Å; Y274-W293 HydrophobicContact CE2-CZ3 4.1Å; Y274-W293 PolarHBondContact N-O 3.11Å; Y274-W293 PolarHBondContact O-N 2.84Å; Y274-S351 PolarHBondContact OH-OG 3.08Å
275L97.7Very high90.8Very high0 Ų038.3 Ų38.30%019%0.185CC..EExtended strand (participates in β ladder)trans-109.8128.9167.6-77.976.6000108.4V249 W250 V252 L257 L290 Y291 Q309 A310 L313V249-L275 WeakPolarHBondContact CA-O 3.42Å; W250-L275 PolarHBondContact N-O 3.33Å; W250-L275 PolarHBondContact O-N 3.3Å; V252-L275 HydrophobicContact CG2-CD1 3.78Å; L257-L275 HydrophobicContact CD2-CB 4.39Å; L257-L275 HydrophobicContact CD2-CD1 3.9Å; L257-L275 HydrophobicContact CD2-CD2 4.08Å; L257-L275 HydrophobicContact CD2-CG 4.35Å; L275-L290 HydrophobicContact CB-CD1 4.4Å; L275-Y291 CarbonylContact C-O 3.57Å; L275-Y291 WeakPolarHBondContact CA-O 3.48Å; L275-Q309 HydrophobicContact CD2-CB 4.06Å; L275-A310 HydrophobicContact CD2-CB 3.91Å; L275-L313 HydrophobicContact CB-CD1 4.26Å; L275-L313 HydrophobicContact CD2-CD1 3.76Å
276I97.9Very high90.6Very high0 Ų041.2 Ų41.20%020%0.199CC..EExtended strand (participates in β ladder)trans-123.9112.3-179.5-51.975.2000108V247 E248 V249 F268 L290 Y291 W293 F335 M338V247-I276 HydrophobicContact CG1-CG2 3.62Å; E248-I276 CarbonylContact O-C 3.52Å; E248-I276 WeakPolarHBondContact O-CA 3.05Å; V249-I276 HydrophobicContact CG1-CG1 4.21Å; V249-I276 HydrophobicContact CG2-CG1 4.22Å; V249-I276 HydrophobicContact CG2-CG2 4.14Å; F268-I276 HydrophobicContact CE1-CD1 4.07Å; F268-I276 HydrophobicContact CE1-CG1 4.36Å; I276-L290 CarbonylContact O-C 3.38Å; I276-L290 WeakPolarHBondContact O-CA 3.34Å; I276-Y291 PolarHBondContact N-O 3.05Å; I276-Y291 PolarHBondContact O-N 3.29Å; I276-W293 HydrophobicContact CD1-CB 4.13Å; I276-F335 HydrophobicContact CD1-CE2 3.81Å; I276-F335 HydrophobicContact CD1-CZ 4.08Å; I276-F335 HydrophobicContact CG1-CE2 4.08Å; I276-F335 HydrophobicContact CG1-CZ 4.45Å; I276-M338 HydrophobicContact CG2-CE 4.2Å; I276-M338 HydrophobicContact CG2-SD 4.31Å
277L97.6Very high90.5Very high0 Ų042.8 Ų42.80%021%0.209CC..EExtended strand (participates in β ladder)trans-92.4120.1170.9-175.373.4000108.9E248 W250 L289 L290 Y317 P321E248-L277 HydrophobicContact CB-CB 4.48Å; E248-L277 PolarHBondContact N-O 3.17Å; E248-L277 PolarHBondContact O-N 3.1Å; W250-L277 HydrophobicContact CH2-CB 4.09Å; W250-L277 HydrophobicContact CH2-CD2 4.48Å; W250-L277 HydrophobicContact CZ3-CB 3.64Å; L277-L289 WeakPolarHBondContact CA-O 3.42Å; L277-L290 HydrophobicContact CB-CD1 4.4Å; L277-L290 HydrophobicContact CD1-CB 4.37Å; L277-L290 HydrophobicContact CD1-CD1 4.39Å; L277-Y317 HydrophobicContact CD2-CD1 4.16Å; L277-Y317 HydrophobicContact CD2-CD2 4.19Å; L277-Y317 HydrophobicContact CD2-CE1 3.5Å; L277-Y317 HydrophobicContact CD2-CE2 3.56Å; L277-Y317 HydrophobicContact CD2-CG 4.48Å; L277-Y317 VanDerWaalsContact CD2-OH 3.27Å; L277-Y317 WeakPolarHBondContact CD2-OH 3.14Å; L277-P321 HydrophobicContact CD1-CG 4.44Å
278Y96.7Very high90.6Very high0 Ų042.7 Ų42.70%021%0.209CC..EExtended strand (participates in β ladder)trans-109.1123.2175.3-178.3-107.9000110D241 G243 G244 G245 Q246 V247 Y280 Y288 L289 H334 M338D241-Y278 PolarHBondContact OD1-OH 3.09Å; D241-Y278 PolarHBondContact OD2-OH 3.09Å; G243-Y278 VanDerWaalsContact CA-OH 3.23Å; G243-Y278 WeakPolarHBondContact CA-OH 3.32Å; G244-Y278 PolarHBondContact N-OH 3.04Å; G244-Y278 VanDerWaalsContact N-OH 3.15Å; G245-Y278 VanDerWaalsContact CA-CE2 3.49Å; G245-Y278 WeakPolarHBondContact CA-OH 3.4Å; G245-Y278 PolarHBondContact N-OH 3.39Å; Q246-Y278 CarbonylContact O-C 3.54Å; Q246-Y278 WeakPolarHBondContact O-CA 3.27Å; V247-Y278 HydrophobicContact CG2-CD2 3.8Å; V247-Y278 HydrophobicContact CG2-CE2 4.19Å; Y278-Y280 AromaticContact CD1-CD1 3.8Å; Y278-Y280 HydrophobicContact CD1-CD1 3.8Å; Y278-Y280 HydrophobicContact CD1-CG 4.4Å; Y278-Y280 AromaticContact CE1-CD1 3.88Å; Y278-Y280 HydrophobicContact CE1-CD1 3.88Å; Y278-Y280 HydrophobicContact CE1-CG 4.02Å; Y278-Y288 CarbonylContact O-C 3.55Å; Y278-Y288 VanDerWaalsContact O-CA 3.31Å; Y278-Y288 WeakPolarHBondContact O-CA 3.32Å; Y278-L289 HydrophobicContact CD1-CD1 4.35Å; Y278-L289 HydrophobicContact CD1-CG 4.47Å; Y278-L289 PolarHBondContact N-O 3.05Å; Y278-L289 PolarHBondContact O-N 3.35Å; Y278-H334 AromaticContact CD1-CE1 3.49Å; Y278-H334 VanDerWaalsContact CD1-CE1 3.49Å; Y278-H334 WeakPolarHBondContact CD1-CE1 3.44Å; Y278-H334 AromaticContact CD1-NE2 3.96Å; Y278-H334 AromaticContact CE1-CE1 3.41Å; Y278-H334 VanDerWaalsContact CE1-CE1 3.41Å; Y278-H334 WeakPolarHBondContact CE1-CE1 3.48Å; Y278-H334 AromaticContact CE1-NE2 3.38Å; Y278-H334 WeakPolarHBondContact CE1-NE2 3.47Å; Y278-H334 AromaticContact CZ-CE1 3.99Å; Y278-H334 AromaticContact CZ-NE2 3.79Å; Y278-M338 HydrophobicContact CD2-CG 3.99Å; Y278-M338 HydrophobicContact CD2-SD 3.53Å; Y278-M338 VanDerWaalsContact CD2-SD 3.53Å; Y278-M338 HydrophobicContact CE2-CG 4.05Å; Y278-M338 HydrophobicContact CE2-SD 4.21Å; Y278-M338 HydrophobicContact CG-SD 3.85Å
279T95.2Very high90.6Very high16 Ų1642.8 Ų42.810%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-109.9122.6177-540000110G245 Q246 K286 C287 Y288G245-T279 CarbonylContact C-O 3.54Å; G245-T279 WeakPolarHBondContact CA-O 3.38Å; Q246-T279 PolarHBondContact N-O 2.98Å; Q246-T279 PolarHBondContact O-N 2.72Å; T279-K286 HydrophobicContact CG2-CB 4.26Å; T279-K286 HydrophobicContact CG2-CD 4.26Å; T279-K286 HydrophobicContact CG2-CG 4.28Å; T279-C287 WeakPolarHBondContact CA-O 3.27Å; T279-Y288 HydrophobicContact CG2-CD1 3.9Å; T279-Y288 HydrophobicContact CG2-CE1 3.63Å; T279-Y288 WeakPolarHBondContact OG1-CD1 3.26Å
280Y90.8Very high90.8Very high9 Ų940 Ų404%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-127.6168.8177.166.1-75.1000111H228 V240 D241 Y278 V282 K286 C287 L289H228-Y280 AromaticContact CE1-CD2 3.41Å; H228-Y280 VanDerWaalsContact CE1-CD2 3.41Å; H228-Y280 WeakPolarHBondContact CE1-CD2 3.49Å; H228-Y280 AromaticContact CE1-CE2 3.46Å; H228-Y280 VanDerWaalsContact CE1-CE2 3.46Å; H228-Y280 WeakPolarHBondContact CE1-CE2 3.23Å; H228-Y280 AromaticContact NE2-CD2 3.67Å; V240-Y280 HydrophobicContact CB-CE2 4.26Å; V240-Y280 HydrophobicContact CG2-CE1 4.36Å; V240-Y280 HydrophobicContact CG2-CE2 4.37Å; D241-Y280 WeakPolarHBondContact OD2-CB 3.38Å; Y278-Y280 AromaticContact CD1-CD1 3.8Å; Y278-Y280 HydrophobicContact CD1-CD1 3.8Å; Y278-Y280 HydrophobicContact CD1-CG 4.4Å; Y278-Y280 AromaticContact CE1-CD1 3.88Å; Y278-Y280 HydrophobicContact CE1-CD1 3.88Å; Y278-Y280 HydrophobicContact CE1-CG 4.02Å; Y280-V282 HydrophobicContact CD2-CG2 3.76Å; Y280-V282 HydrophobicContact CE2-CG2 3.4Å; Y280-V282 VanDerWaalsContact CE2-CG2 3.4Å; Y280-K286 WeakPolarHBondContact O-CA 3.29Å; Y280-C287 HydrophobicContact CD1-CB 4.02Å; Y280-C287 VanDerWaalsContact CD1-O 3.31Å; Y280-C287 WeakPolarHBondContact CD1-O 3.34Å; Y280-C287 HydrophobicContact CD2-CB 4.14Å; Y280-C287 HydrophobicContact CE1-CB 3.51Å; Y280-C287 HydrophobicContact CE2-CB 3.68Å; Y280-C287 HydrophobicContact CG-CB 4.31Å; Y280-C287 PolarHBondContact N-O 3.36Å; Y280-C287 PolarHBondContact O-N 2.89Å; Y280-L289 HydrophobicContact CD1-CG 4.48Å; Y280-L289 HydrophobicContact CE1-CD2 4.11Å; Y280-L289 HydrophobicContact CE1-CG 3.86Å
281L84.5Confident91.1Very high100 Ų10040.5 Ų40.552%0.52420%0.201SC..EExtended strand (participates in β ladder)trans-115.7123.8-175.8-70.5175000111.4H228 R285 K286H228-L281 PolarHBondContact CD2-O 3.07Å; H228-L281 PolarHBondContact NE2-O 3.17Å; L281-R285 CarbonylContact C-O 3.36Å; L281-R285 WeakPolarHBondContact CA-O 3.4Å; L281-K286 HydrophobicContact CD2-CG 3.83Å
282V76.9Confident91.3Very high27 Ų2740.5 Ų40.516%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-117.3114.4170.9-174.70000108.1H228 Y280 N284 R285 C287H228-V282 HydrophobicContact CB-CG1 4.2Å; Y280-V282 HydrophobicContact CD2-CG2 3.76Å; Y280-V282 HydrophobicContact CE2-CG2 3.4Å; Y280-V282 VanDerWaalsContact CE2-CG2 3.4Å; V282-N284 VanDerWaalsContact C-N 3.27Å; V282-N284 PolarHBondContact O-N 2.95Å; V282-R285 PolarHBondContact N-O 2.88Å; V282-R285 WeakPolarHBondContact O-CB 3.38Å; V282-R285 PolarHBondContact O-N 3.47Å; V282-C287 HydrophobicContact CG2-CB 4.32Å
283N76.5Confident91.4Very high137 Ų13740.5 Ų40.573%0.73320%0.196SC*.THydrogen-bonded Turntrans50.445.7-178.9-60.2-33.4000112.9R285N283-R285 PolarHBondContact O-N 2.64Å; N283-R285 VanDerWaalsContact O-N 3.12Å
284N77.9Confident91.3Very high153 Ų15341.4 Ų41.482%0.81820%0.2SC*.THydrogen-bonded Turntrans61.48.8-174.6-66.3-11.6000116.1V282V282-N284 VanDerWaalsContact C-N 3.27Å; V282-N284 PolarHBondContact O-N 2.95Å
285R83.1Confident91Very high181 Ų18141.6 Ų41.668%0.68320%0.203SC*.EExtended strand (participates in β ladder)trans-94.5139.2167.9-66.8-169.6-75.6-168.9-1.7109.7L281 V282 N283L281-R285 CarbonylContact C-O 3.36Å; L281-R285 WeakPolarHBondContact CA-O 3.4Å; V282-R285 PolarHBondContact N-O 2.88Å; V282-R285 WeakPolarHBondContact O-CB 3.38Å; V282-R285 PolarHBondContact O-N 3.47Å; N283-R285 PolarHBondContact O-N 2.64Å; N283-R285 VanDerWaalsContact O-N 3.12Å
286K90Very high90.5Very high126 Ų12649.3 Ų49.355%0.54823%0.232SC..EExtended strand (participates in β ladder)trans-74.5134.6173.4-68.6-177.1178-175.10108.9T279 Y280 L281 Y288T279-K286 HydrophobicContact CG2-CB 4.26Å; T279-K286 HydrophobicContact CG2-CD 4.26Å; T279-K286 HydrophobicContact CG2-CG 4.28Å; Y280-K286 WeakPolarHBondContact O-CA 3.29Å; L281-K286 HydrophobicContact CD2-CG 3.83Å; K286-Y288 HydrophobicContact CB-CE1 4.31Å; K286-Y288 HydrophobicContact CB-CE2 4.28Å; K286-Y288 WeakPolarHBondContact CB-OH 3.43Å
287C88.5Confident90Very high35 Ų3554.1 Ų54.124%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-126.4150.8172-62.20000108.1T279 Y280 V282T279-C287 WeakPolarHBondContact CA-O 3.27Å; Y280-C287 HydrophobicContact CD1-CB 4.02Å; Y280-C287 VanDerWaalsContact CD1-O 3.31Å; Y280-C287 WeakPolarHBondContact CD1-O 3.34Å; Y280-C287 HydrophobicContact CD2-CB 4.14Å; Y280-C287 HydrophobicContact CE1-CB 3.51Å; Y280-C287 HydrophobicContact CE2-CB 3.68Å; Y280-C287 HydrophobicContact CG-CB 4.31Å; Y280-C287 PolarHBondContact N-O 3.36Å; Y280-C287 PolarHBondContact O-N 2.89Å; V282-C287 HydrophobicContact CG2-CB 4.32Å
288Y94.4Very high89.5Confident35 Ų3554.8 Ų54.814%0.13726%0.26CS..EExtended strand (participates in β ladder)trans-128.7134.2-170.6-50.2-82.2000110.8Y278 T279 K286 Y317 E320 P321 V322Y278-Y288 CarbonylContact O-C 3.55Å; Y278-Y288 VanDerWaalsContact O-CA 3.31Å; Y278-Y288 WeakPolarHBondContact O-CA 3.32Å; T279-Y288 HydrophobicContact CG2-CD1 3.9Å; T279-Y288 HydrophobicContact CG2-CE1 3.63Å; T279-Y288 WeakPolarHBondContact OG1-CD1 3.26Å; K286-Y288 HydrophobicContact CB-CE1 4.31Å; K286-Y288 HydrophobicContact CB-CE2 4.28Å; K286-Y288 WeakPolarHBondContact CB-OH 3.43Å; Y288-Y317 HydrophobicContact CD1-CD1 4.02Å; Y288-Y317 HydrophobicContact CD1-CE1 4.4Å; Y288-Y317 AromaticContact CE1-CD1 3.76Å; Y288-Y317 HydrophobicContact CE1-CD1 3.76Å; Y288-Y317 HydrophobicContact CE1-CE1 4.06Å; Y288-E320 HydrophobicContact CD2-CB 4.2Å; Y288-P321 HydrophobicContact CG-CG 4.43Å; Y288-V322 PolarHBondContact O-N 2.86Å
289L94.3Very high89.1Confident4 Ų458 Ų582%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-112.9132.9162.9-54.5-177.7000108.5V240 L277 Y278 Y280 Y291 V322V240-L289 HydrophobicContact CG1-CD1 4.28Å; V240-L289 HydrophobicContact CG2-CD1 3.75Å; L277-L289 WeakPolarHBondContact CA-O 3.42Å; Y278-L289 HydrophobicContact CD1-CD1 4.35Å; Y278-L289 HydrophobicContact CD1-CG 4.47Å; Y278-L289 PolarHBondContact N-O 3.05Å; Y278-L289 PolarHBondContact O-N 3.35Å; Y280-L289 HydrophobicContact CD1-CG 4.48Å; Y280-L289 HydrophobicContact CE1-CD2 4.11Å; Y280-L289 HydrophobicContact CE1-CG 3.86Å; L289-Y291 HydrophobicContact CB-CD2 4.41Å; L289-Y291 HydrophobicContact CB-CE2 3.94Å; L289-Y291 HydrophobicContact CD1-CE2 3.99Å; L289-Y291 WeakPolarHBondContact CD1-OH 3.09Å; L289-V322 CarbonylContact C-O 3.6Å; L289-V322 WeakPolarHBondContact CA-O 3.3Å; L289-V322 HydrophobicContact CD2-CB 3.67Å; L289-V322 HydrophobicContact CD2-CG1 4.08Å; L289-V322 HydrophobicContact CD2-CG2 4.2Å
290L96.8Very high88.7Confident0 Ų065.4 Ų65.40%031%0.313CS..EExtended strand (participates in β ladder)trans-113.4101.4175.1179.659.3000109.5L275 I276 L277 A310 L313 D314 P321 V322 Q323 V324L275-L290 HydrophobicContact CB-CD1 4.4Å; I276-L290 CarbonylContact O-C 3.38Å; I276-L290 WeakPolarHBondContact O-CA 3.34Å; L277-L290 HydrophobicContact CB-CD1 4.4Å; L277-L290 HydrophobicContact CD1-CB 4.37Å; L277-L290 HydrophobicContact CD1-CD1 4.39Å; L290-A310 HydrophobicContact CD2-CB 4.04Å; L290-A310 WeakPolarHBondContact CD2-O 3.41Å; L290-L313 HydrophobicContact CD1-CD1 4.09Å; L290-L313 HydrophobicContact CD2-CB 4.02Å; L290-D314 HydrophobicContact CD2-CB 4.5Å; L290-P321 HydrophobicContact CB-CB 4.05Å; L290-V322 PolarHBondContact N-O 2.78Å; L290-Q323 CarbonylContact O-C 3.56Å; L290-Q323 WeakPolarHBondContact O-CA 3.46Å; L290-V324 PolarHBondContact O-N 2.9Å
291Y96.8Very high88.6Confident9 Ų969.2 Ų69.24%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-84.6132.4175.4-67.2-85.3000111L275 I276 L289 V324 V326 P332 H334 F335 M338L275-Y291 CarbonylContact C-O 3.57Å; L275-Y291 WeakPolarHBondContact CA-O 3.48Å; I276-Y291 PolarHBondContact N-O 3.05Å; I276-Y291 PolarHBondContact O-N 3.29Å; L289-Y291 HydrophobicContact CB-CD2 4.41Å; L289-Y291 HydrophobicContact CB-CE2 3.94Å; L289-Y291 HydrophobicContact CD1-CE2 3.99Å; L289-Y291 WeakPolarHBondContact CD1-OH 3.09Å; Y291-V324 CarbonylContact C-O 3.21Å; Y291-V324 WeakPolarHBondContact CA-O 3.36Å; Y291-V324 HydrophobicContact CD1-CB 3.47Å; Y291-V324 VanDerWaalsContact CD1-CB 3.47Å; Y291-V324 HydrophobicContact CD1-CG1 3.65Å; Y291-V324 HydrophobicContact CD1-CG2 4.08Å; Y291-V324 HydrophobicContact CE1-CB 3.65Å; Y291-V324 HydrophobicContact CE1-CG1 3.6Å; Y291-V324 HydrophobicContact CE1-CG2 3.84Å; Y291-V324 HydrophobicContact CG-CB 4.28Å; Y291-V326 HydrophobicContact CD1-CG2 3.7Å; Y291-V326 HydrophobicContact CE1-CG2 4.33Å; Y291-P332 HydrophobicContact CE1-CG 4.49Å; Y291-H334 AromaticContact CE2-ND1 3.91Å; Y291-H334 AromaticContact CZ-ND1 3.73Å; Y291-H334 PolarHBondContact OH-ND1 3.43Å; Y291-F335 HydrophobicContact CD1-CB 4.44Å; Y291-F335 AromaticContact CD1-CD2 3.55Å; Y291-F335 HydrophobicContact CD1-CD2 3.55Å; Y291-F335 HydrophobicContact CD1-CE2 4.26Å; Y291-F335 HydrophobicContact CD1-CG 4.41Å; Y291-F335 AromaticContact CD2-CD2 3.86Å; Y291-F335 HydrophobicContact CD2-CD2 3.86Å; Y291-F335 HydrophobicContact CD2-CE2 4.39Å; Y291-F335 HydrophobicContact CE1-CB 4.07Å; Y291-F335 AromaticContact CE1-CD2 3.99Å; Y291-F335 HydrophobicContact CE1-CD2 3.99Å; Y291-F335 HydrophobicContact CE2-CD2 4.26Å; Y291-F335 AromaticContact CG-CD2 3.49Å; Y291-F335 HydrophobicContact CG-CD2 3.49Å; Y291-F335 VanDerWaalsContact CG-CD2 3.49Å; Y291-F335 AromaticContact CG-CE2 3.91Å; Y291-F335 HydrophobicContact CG-CE2 3.91Å; Y291-M338 HydrophobicContact CD2-CE 3.66Å; Y291-M338 HydrophobicContact CE2-CE 3.62Å; Y291-M338 HydrophobicContact CE2-SD 4.35Å; Y291-M338 HydrophobicContact CG-CE 4.48Å
292M95.6Very high88.8Confident18 Ų1865 Ų659%0.08931%0.312CS..EExtended strand (participates in β ladder)trans-108.295.4169.7-58.8165.2-70.500107.6A310 Q323 V324 R325 V326M292-A310 HydrophobicContact CG-CB 3.71Å; M292-A310 HydrophobicContact SD-CB 3.39Å; M292-A310 WeakPolarHBondContact SD-CB 3.17Å; M292-Q323 HydrophobicContact CE-CB 4.22Å; M292-V324 PolarHBondContact N-O 3.18Å; M292-R325 HydrophobicContact CE-CB 3.88Å; M292-V326 PolarHBondContact O-N 3.47Å
293W96.2Very high89.2Confident0 Ų066.3 Ų66.30%032%0.317CS..EExtended strand (participates in β ladder)trans-87124177.6-169.896.5000109.9F268 Y269 C273 Y274 I276 V326 M328 E331 F335 I345F268-W293 HydrophobicContact CB-CD2 4.4Å; F268-W293 HydrophobicContact CB-CE3 4.37Å; F268-W293 HydrophobicContact CB-CH2 3.88Å; F268-W293 HydrophobicContact CB-CZ2 3.94Å; F268-W293 HydrophobicContact CB-CZ3 4.11Å; F268-W293 HydrophobicContact CD1-CD2 4.11Å; F268-W293 HydrophobicContact CD1-CE3 4.26Å; F268-W293 HydrophobicContact CD1-CG 4.29Å; F268-W293 HydrophobicContact CG-CD2 4.45Å; Y269-W293 WeakPolarHBondContact O-CZ3 3.42Å; C273-W293 WeakPolarHBondContact CA-O 3.26Å; Y274-W293 AromaticContact CD2-CE3 3.68Å; Y274-W293 HydrophobicContact CD2-CE3 3.68Å; Y274-W293 HydrophobicContact CD2-CZ3 4.08Å; Y274-W293 HydrophobicContact CE2-CE3 4.18Å; Y274-W293 HydrophobicContact CE2-CZ3 4.1Å; Y274-W293 PolarHBondContact N-O 3.11Å; Y274-W293 PolarHBondContact O-N 2.84Å; I276-W293 HydrophobicContact CD1-CB 4.13Å; W293-V326 CarbonylContact C-O 3.09Å; W293-V326 WeakPolarHBondContact CA-O 3.38Å; W293-M328 HydrophobicContact CH2-CB 3.89Å; W293-M328 HydrophobicContact CH2-CG 3.99Å; W293-M328 HydrophobicContact CH2-SD 4.15Å; W293-M328 HydrophobicContact CZ2-CB 3.58Å; W293-M328 HydrophobicContact CZ2-CG 3.72Å; W293-M328 HydrophobicContact CZ2-SD 4.46Å; W293-E331 PolarHBondContact NE1-OE1 3.06Å; W293-F335 HydrophobicContact CB-CZ 4.18Å; W293-F335 AromaticContact CD1-CE1 3.87Å; W293-F335 AromaticContact CD1-CZ 3.78Å; W293-F335 HydrophobicContact CG-CZ 4.2Å; W293-I345 HydrophobicContact CH2-CG2 4.15Å; W293-I345 HydrophobicContact CZ2-CD1 4.34Å; W293-I345 HydrophobicContact CZ2-CG1 4.45Å; W293-I345 HydrophobicContact CZ2-CG2 3.84Å
294Q92.3Very high89.6Confident18 Ų1862.7 Ų62.78%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-114.3113.3-173.8-64.9-177.4-28.100110.2L303 S306 V326 M328Q294-L303 HydrophobicContact CB-CD2 3.73Å; Q294-L303 HydrophobicContact CG-CD2 3.8Å; Q294-S306 PolarHBondContact NE2-OG 2.95Å; Q294-V326 PolarHBondContact N-O 2.87Å; Q294-M328 PolarHBondContact O-N 3.46Å
295G90.8Very high90.1Very high5 Ų555.9 Ų55.95%0.05227%0.271CS..  trans-67.1144.3174.900000112.2G270 D272 H297 A298G270-G295 CarbonylContact O-C 3.09Å; G270-G295 WeakPolarHBondContact O-CA 3.5Å; D272-G295 WeakPolarHBondContact O-CA 3.29Å; D272-G295 PolarHBondContact O-N 3.02Å; D272-G295 VanDerWaalsContact O-N 3.12Å; G295-H297 PolarHBondContact O-N 3.43Å; G295-A298 WeakPolarHBondContact O-CB 3.45Å; G295-A298 PolarHBondContact O-N 3.12Å
296R87.4Confident90.4Very high162 Ų16247.3 Ų47.361%0.61124%0.239SC*.THydrogen-bonded Turntrans-61.7-28.5-178.9-178.6-176.9-68.6164.4-1.5113.4G270 M328 D347G270-R296 PolarHBondContact O-N 3.18Å; R296-M328 HydrophobicContact CB-CB 4.48Å; R296-M328 HydrophobicContact CB-CE 4.05Å; R296-M328 HydrophobicContact CB-SD 3.71Å; R296-D347 IonicContact NH1-OD1 2.64Å
297H87Confident90.1Very high102 Ų10243.5 Ų43.547%0.47223%0.231SC..THydrogen-bonded Turntrans-107.98-177.6-56.1-45.1000112.9G270 G295 D347G270-H297 CarbonylContact O-C 3.4Å; G270-H297 VanDerWaalsContact O-CA 3.31Å; G270-H297 WeakPolarHBondContact O-CA 3.48Å; G270-H297 WeakPolarHBondContact O-CB 3.26Å; G270-H297 PolarHBondContact O-N 3.41Å; G295-H297 PolarHBondContact O-N 3.43Å; H297-D347 PolarHBondContact CD2-O 2.94Å; H297-D347 PolarHBondContact NE2-O 3.22Å
298A88.7Confident90Very high14 Ų1448 Ų4812%0.11625%0.247CC..  trans-64144.3172.500000110.5G270 C273 G295 L303G270-A298 PolarHBondContact O-N 2.88Å; C273-A298 WeakPolarHBondContact SG-CB 3.3Å; G295-A298 WeakPolarHBondContact O-CB 3.45Å; G295-A298 PolarHBondContact O-N 3.12Å; A298-L303 HydrophobicContact CB-CD2 4.22Å; A298-L303 HydrophobicContact CB-CG 4.4Å
299T87.7Confident90Very high66 Ų6647 Ų4741%0.40524%0.243SC..  trans-75.6156.3-178.260.30000111.3D301 E302 L303T299-D301 VanDerWaalsContact C-N 3.28Å; T299-D301 WeakPolarHBondContact CB-OD1 3.4Å; T299-D301 PolarHBondContact O-N 3.08Å; T299-D301 PolarHBondContact OG1-OD1 3.31Å; T299-E302 PolarHBondContact O-N 3.16Å; T299-E302 VanDerWaalsContact O-N 3.09Å; T299-E302 VanDerWaalsContact OG1-CG 3.31Å; T299-E302 WeakPolarHBondContact OG1-CG 3.12Å; T299-L303 WeakPolarHBondContact O-CG 3.19Å; T299-L303 PolarHBondContact O-N 3.17Å
300Q86.9Confident89.9Confident172 Ų17246.8 Ų46.880%0.80424%0.242SC*.Hα-helixtrans-61.5-35.9-176.6-74.9-172.9-22.200113.3E302 L303 A304Q300-E302 VanDerWaalsContact C-N 3.34Å; Q300-L303 PolarHBondContact O-N 2.84Å; Q300-A304 WeakPolarHBondContact O-CB 3.18Å; Q300-A304 PolarHBondContact O-N 3.01Å
301D88.9Confident89.5Confident89 Ų8949.7 Ų49.748%0.47626%0.26SS..Hα-helixtrans-65.6-3717558.9-50.1000111.8L255 T299 A304 A305L255-D301 HydrophobicContact CD2-CB 4.02Å; T299-D301 VanDerWaalsContact C-N 3.28Å; T299-D301 WeakPolarHBondContact CB-OD1 3.4Å; T299-D301 PolarHBondContact O-N 3.08Å; T299-D301 PolarHBondContact OG1-OD1 3.31Å; D301-A304 PolarHBondContact O-N 3.26Å; D301-A305 VanDerWaalsContact O-CB 3.27Å; D301-A305 WeakPolarHBondContact O-CB 3.41Å; D301-A305 PolarHBondContact O-N 3.1Å
302E88.6Confident89.3Confident13 Ų1352 Ų526%0.06127%0.273CS..Hα-helixtrans-72.5-37175-71.4-179.6172.400112.8V252 T299 Q300 A304 A305 S306 R352V252-E302 HydrophobicContact CG1-CB 4.45Å; V252-E302 HydrophobicContact CG1-CG 4.43Å; T299-E302 PolarHBondContact O-N 3.16Å; T299-E302 VanDerWaalsContact O-N 3.09Å; T299-E302 VanDerWaalsContact OG1-CG 3.31Å; T299-E302 WeakPolarHBondContact OG1-CG 3.12Å; Q300-E302 VanDerWaalsContact C-N 3.34Å; E302-A304 VanDerWaalsContact C-N 3.35Å; E302-A305 PolarHBondContact O-N 3.22Å; E302-S306 WeakPolarHBondContact O-CB 3.4Å; E302-S306 PolarHBondContact O-N 3.11Å; E302-R352 IonicContact OE1-CZ 3.08Å; E302-R352 IonicContact OE1-NH1 2.69Å; E302-R352 PolarHBondContact OE1-NH1 3.37Å; E302-R352 IonicContact OE1-NH2 2.78Å; E302-R352 PolarHBondContact OE1-NH2 2.76Å; E302-R352 IonicContact OE2-CZ 3.98Å; E302-R352 IonicContact OE2-NH2 3.04Å; E302-R352 PolarHBondContact OE2-NH2 2.82Å
303L85.2Confident89.2Confident53 Ų5351.7 Ų51.728%0.27727%0.272SS..Hα-helixtrans-60.6-46.2171.2-67.4172.5000110.6Q294 A298 T299 Q300 S306 A307Q294-L303 HydrophobicContact CB-CD2 3.73Å; Q294-L303 HydrophobicContact CG-CD2 3.8Å; A298-L303 HydrophobicContact CB-CD2 4.22Å; A298-L303 HydrophobicContact CB-CG 4.4Å; T299-L303 WeakPolarHBondContact O-CG 3.19Å; T299-L303 PolarHBondContact O-N 3.17Å; Q300-L303 PolarHBondContact O-N 2.84Å; L303-S306 PolarHBondContact O-N 3.31Å; L303-S306 PolarHBondContact O-OG 3.43Å; L303-A307 PolarHBondContact O-N 3.06Å
304A83.8Confident88.9Confident62 Ų6252 Ų5251%0.51227%0.273SS..Hα-helixtrans-64.3-43.2176.700000111.9Q300 D301 E302 S306 A307 F308Q300-A304 WeakPolarHBondContact O-CB 3.18Å; Q300-A304 PolarHBondContact O-N 3.01Å; D301-A304 PolarHBondContact O-N 3.26Å; E302-A304 VanDerWaalsContact C-N 3.35Å; A304-S306 VanDerWaalsContact C-N 3.34Å; A304-S306 PolarHBondContact O-N 2.87Å; A304-A307 PolarHBondContact O-N 2.84Å; A304-F308 PolarHBondContact O-N 2.65Å
305A88.5Confident88.8Confident9 Ų956.3 Ų56.37%0.07429%0.293CS..Hα-helixtrans-63.3-38.3175.400000111.9V252 L255 D301 E302 A307 F308 Q309V252-A305 HydrophobicContact CG1-CB 3.81Å; L255-A305 HydrophobicContact CB-CB 3.99Å; L255-A305 HydrophobicContact CD2-CB 3.77Å; L255-A305 HydrophobicContact CG-CB 4.49Å; D301-A305 VanDerWaalsContact O-CB 3.27Å; D301-A305 WeakPolarHBondContact O-CB 3.41Å; D301-A305 PolarHBondContact O-N 3.1Å; E302-A305 PolarHBondContact O-N 3.22Å; A305-A307 VanDerWaalsContact C-N 3.32Å; A305-A307 PolarHBondContact O-N 2.82Å; A305-F308 PolarHBondContact O-N 3.18Å; A305-Q309 WeakPolarHBondContact O-CB 3.46Å; A305-Q309 WeakPolarHBondContact O-CG 3.4Å; A305-Q309 PolarHBondContact O-N 3.25Å
306S90.8Very high89Confident1 Ų162.8 Ų62.81%0.00732%0.32CS..Hα-helixtrans-60.4-4217776.10000112.2Q294 E302 L303 A304 A310Q294-S306 PolarHBondContact NE2-OG 2.95Å; E302-S306 WeakPolarHBondContact O-CB 3.4Å; E302-S306 PolarHBondContact O-N 3.11Å; L303-S306 PolarHBondContact O-N 3.31Å; L303-S306 PolarHBondContact O-OG 3.43Å; A304-S306 VanDerWaalsContact C-N 3.34Å; A304-S306 PolarHBondContact O-N 2.87Å; S306-A310 WeakPolarHBondContact O-CB 3.44Å; S306-A310 PolarHBondContact O-N 3.4Å
307A83.4Confident89.2Confident47 Ų4757 Ų5739%0.38830%0.299SS..Hα-helixtrans-67.9-42.6176.100000111.5L303 A304 A305 A310 V311L303-A307 PolarHBondContact O-N 3.06Å; A304-A307 PolarHBondContact O-N 2.84Å; A305-A307 VanDerWaalsContact C-N 3.32Å; A305-A307 PolarHBondContact O-N 2.82Å; A307-A310 WeakPolarHBondContact O-CB 3.43Å; A307-A310 PolarHBondContact O-N 3.09Å; A307-V311 PolarHBondContact O-N 3.2Å
308F86.9Confident89.3Confident129 Ų12958 Ų5857%0.56631%0.307SS*.Hα-helixtrans-63.2-45.5176.8-179.4-102000112.3A304 A305 A310 V311 N312A304-F308 PolarHBondContact O-N 2.65Å; A305-F308 PolarHBondContact O-N 3.18Å; F308-A310 VanDerWaalsContact C-N 3.26Å; F308-A310 PolarHBondContact O-N 3.26Å; F308-V311 WeakPolarHBondContact O-CB 3.38Å; F308-V311 PolarHBondContact O-N 2.82Å; F308-N312 WeakPolarHBondContact CE1-ND2 3.25Å; F308-N312 PolarHBondContact O-N 3.07Å
309Q94Very high89.2Confident13 Ų1360.9 Ų60.96%0.06132%0.321CS..Hα-helixtrans-67.6-28.6178.4-67-64.7-7.300112.1L255 E256 L257 L275 A305 V311 N312 L313L255-Q309 PolarHBondContact O-NE2 3.24Å; E256-Q309 PolarHBondContact OE2-NE2 3.13Å; L257-Q309 HydrophobicContact CD1-CB 4.11Å; L257-Q309 HydrophobicContact CD2-CB 3.74Å; L257-Q309 HydrophobicContact CD2-CG 4.05Å; L257-Q309 HydrophobicContact CG-CB 3.83Å; L257-Q309 HydrophobicContact CG-CG 3.94Å; L275-Q309 HydrophobicContact CD2-CB 4.06Å; A305-Q309 WeakPolarHBondContact O-CB 3.46Å; A305-Q309 WeakPolarHBondContact O-CG 3.4Å; A305-Q309 PolarHBondContact O-N 3.25Å; Q309-V311 VanDerWaalsContact C-N 3.35Å; Q309-N312 PolarHBondContact O-N 2.6Å; Q309-N312 PolarHBondContact OE1-ND2 3.01Å; Q309-L313 PolarHBondContact O-N 3.46Å
310A91.3Very high89.3Confident0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-64.7-40.8173.800000111.3L275 L290 M292 S306 A307 F308 L313 D314L275-A310 HydrophobicContact CD2-CB 3.91Å; L290-A310 HydrophobicContact CD2-CB 4.04Å; L290-A310 WeakPolarHBondContact CD2-O 3.41Å; M292-A310 HydrophobicContact CG-CB 3.71Å; M292-A310 HydrophobicContact SD-CB 3.39Å; M292-A310 WeakPolarHBondContact SD-CB 3.17Å; S306-A310 WeakPolarHBondContact O-CB 3.44Å; S306-A310 PolarHBondContact O-N 3.4Å; A307-A310 WeakPolarHBondContact O-CB 3.43Å; A307-A310 PolarHBondContact O-N 3.09Å; F308-A310 VanDerWaalsContact C-N 3.26Å; F308-A310 PolarHBondContact O-N 3.26Å; A310-L313 PolarHBondContact O-N 3.27Å; A310-D314 WeakPolarHBondContact O-CB 3.08Å; A310-D314 PolarHBondContact O-N 2.74Å
311V88.9Confident89.7Confident61 Ų6152.2 Ų52.237%0.3728%0.276SS..Hα-helixtrans-61.9-43.1173.21770000111.3A307 F308 Q309 L313 D314 Q315A307-V311 PolarHBondContact O-N 3.2Å; F308-V311 WeakPolarHBondContact O-CB 3.38Å; F308-V311 PolarHBondContact O-N 2.82Å; Q309-V311 VanDerWaalsContact C-N 3.35Å; V311-L313 PolarHBondContact O-N 2.87Å; V311-D314 PolarHBondContact O-N 2.88Å; V311-Q315 WeakPolarHBondContact O-CG 3.32Å; V311-Q315 PolarHBondContact O-N 3.31Å
312N92Very high89.8Confident59 Ų5948.2 Ų48.232%0.31626%0.255SS..Hα-helixtrans-63.2-42.2178.3-66.4-23.5000112.3F308 Q309 K316F308-N312 WeakPolarHBondContact CE1-ND2 3.25Å; F308-N312 PolarHBondContact O-N 3.07Å; Q309-N312 PolarHBondContact O-N 2.6Å; Q309-N312 PolarHBondContact OE1-ND2 3.01Å; N312-K316 WeakPolarHBondContact O-CB 3.13Å; N312-K316 PolarHBondContact O-N 3.03Å; N312-K316 VanDerWaalsContact O-N 3.11Å
313L93.9Very high90Very high10 Ų1048.5 Ų48.55%0.05226%0.256CS..Hα-helixtrans-66.5-43.9175.2-84.1177.9000111.3W250 L257 L275 L290 Q309 A310 V311 Q315 K316 Y317W250-L313 HydrophobicContact CE3-CD1 4.04Å; W250-L313 HydrophobicContact CZ3-CD1 4.11Å; L257-L313 HydrophobicContact CD1-CD1 3.64Å; L257-L313 HydrophobicContact CD1-CD2 4.31Å; L257-L313 HydrophobicContact CD1-CG 3.77Å; L275-L313 HydrophobicContact CB-CD1 4.26Å; L275-L313 HydrophobicContact CD2-CD1 3.76Å; L290-L313 HydrophobicContact CD1-CD1 4.09Å; L290-L313 HydrophobicContact CD2-CB 4.02Å; Q309-L313 PolarHBondContact O-N 3.46Å; A310-L313 PolarHBondContact O-N 3.27Å; V311-L313 PolarHBondContact O-N 2.87Å; L313-Q315 PolarHBondContact O-N 3.18Å; L313-K316 HydrophobicContact CD2-CD 4.37Å; L313-K316 WeakPolarHBondContact O-CB 3.46Å; L313-K316 PolarHBondContact O-N 3.35Å; L313-K316 VanDerWaalsContact O-N 3.12Å; L313-Y317 HydrophobicContact CD2-CE2 4.4Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.38Å; L313-Y317 PolarHBondContact O-N 3.13Å
314D89.9Confident90.3Very high6 Ų646.2 Ų46.23%0.03225%0.245CC..Hα-helixtrans-56.3-48.4177.6-176.645.2000111.9L290 A310 V311 K316 Y317 N318 D319 P321 Q323 K550L290-D314 HydrophobicContact CD2-CB 4.5Å; A310-D314 WeakPolarHBondContact O-CB 3.08Å; A310-D314 PolarHBondContact O-N 2.74Å; V311-D314 PolarHBondContact O-N 2.88Å; D314-K316 VanDerWaalsContact C-N 3.33Å; D314-K316 PolarHBondContact O-N 2.89Å; D314-Y317 CarbonylContact O-C 3.59Å; D314-Y317 PolarHBondContact O-N 3.24Å; D314-Y317 VanDerWaalsContact O-N 3.08Å; D314-N318 PolarHBondContact O-N 3.12Å; D314-D319 WeakPolarHBondContact O-CA 3.44Å; D314-D319 PolarHBondContact O-N 3.46Å; D314-P321 VanDerWaalsContact OD1-CD 3.32Å; D314-P321 WeakPolarHBondContact OD1-CD 3.43Å; D314-Q323 PolarHBondContact OD2-NE2 2.98Å; D314-K550 IonicContact OD1-NZ 2.86Å; D314-K550 PolarHBondContact OD1-NZ 3.14Å; D314-K550 IonicContact OD2-NZ 3.37Å; D314-K550 PolarHBondContact OD2-NZ 3.28Å
315Q90.9Very high90.6Very high109 Ų10946 Ų4651%0.50923%0.231SC..Hα-helixtrans-61.2-38.3174.6-72175.1-3.500112.9V311 L313 Y317 N318V311-Q315 WeakPolarHBondContact O-CG 3.32Å; V311-Q315 PolarHBondContact O-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.18Å; Q315-Y317 PolarHBondContact O-N 3.07Å; Q315-N318 PolarHBondContact O-N 2.94Å; Q315-N318 VanDerWaalsContact O-N 3.09Å
316K94.2Very high90.7Very high142 Ų14245.6 Ų45.662%0.61723%0.227SC*.Hα-helixtrans-62-27.4176.9-178.5-175.6174-167.50112.3N312 L313 D314N312-K316 WeakPolarHBondContact O-CB 3.13Å; N312-K316 PolarHBondContact O-N 3.03Å; N312-K316 VanDerWaalsContact O-N 3.11Å; L313-K316 HydrophobicContact CD2-CD 4.37Å; L313-K316 WeakPolarHBondContact O-CB 3.46Å; L313-K316 PolarHBondContact O-N 3.35Å; L313-K316 VanDerWaalsContact O-N 3.12Å; D314-K316 VanDerWaalsContact C-N 3.33Å; D314-K316 PolarHBondContact O-N 2.89Å
317Y91.8Very high90.6Very high41 Ų4146.3 Ų46.316%0.16123%0.231CC..THydrogen-bonded Turntrans-104.435.3176.3-69.6-103.2000111.3E248 L277 Y288 L313 D314 Q315 D319 E320 P321E248-Y317 PolarHBondContact OE2-OH 2.84Å; L277-Y317 HydrophobicContact CD2-CD1 4.16Å; L277-Y317 HydrophobicContact CD2-CD2 4.19Å; L277-Y317 HydrophobicContact CD2-CE1 3.5Å; L277-Y317 HydrophobicContact CD2-CE2 3.56Å; L277-Y317 HydrophobicContact CD2-CG 4.48Å; L277-Y317 VanDerWaalsContact CD2-OH 3.27Å; L277-Y317 WeakPolarHBondContact CD2-OH 3.14Å; Y288-Y317 HydrophobicContact CD1-CD1 4.02Å; Y288-Y317 HydrophobicContact CD1-CE1 4.4Å; Y288-Y317 AromaticContact CE1-CD1 3.76Å; Y288-Y317 HydrophobicContact CE1-CD1 3.76Å; Y288-Y317 HydrophobicContact CE1-CE1 4.06Å; L313-Y317 HydrophobicContact CD2-CE2 4.4Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.38Å; L313-Y317 PolarHBondContact O-N 3.13Å; D314-Y317 CarbonylContact O-C 3.59Å; D314-Y317 PolarHBondContact O-N 3.24Å; D314-Y317 VanDerWaalsContact O-N 3.08Å; Q315-Y317 PolarHBondContact O-N 3.07Å; Y317-D319 VanDerWaalsContact C-N 3.28Å; Y317-D319 PolarHBondContact O-N 3.23Å; Y317-E320 WeakPolarHBondContact O-CB 3.16Å; Y317-E320 WeakPolarHBondContact O-CG 3.41Å; Y317-E320 PolarHBondContact O-N 3.4Å; Y317-P321 HydrophobicContact CG-CG 4.48Å
318N89.3Confident90.8Very high122 Ų12244.7 Ų44.765%0.65222%0.216SC*.THydrogen-bonded Turntrans57.632.3175.4-49.8-52.9000114.8D314 Q315 E320D314-N318 PolarHBondContact O-N 3.12Å; Q315-N318 PolarHBondContact O-N 2.94Å; Q315-N318 VanDerWaalsContact O-N 3.09Å; N318-E320 HydrophobicContact CB-CG 4.09Å; N318-E320 PolarHBondContact O-N 2.84Å; N318-E320 VanDerWaalsContact O-N 3.1Å
319D86.9Confident90.6Very high74 Ų7440 Ų4040%0.39620%0.203SC..THydrogen-bonded Turntrans5921.8-178.3-63.2-55.1000113.3D314 Y317 K550D314-D319 WeakPolarHBondContact O-CA 3.44Å; D314-D319 PolarHBondContact O-N 3.46Å; Y317-D319 VanDerWaalsContact C-N 3.28Å; Y317-D319 PolarHBondContact O-N 3.23Å; D319-K550 VanDerWaalsContact CB-NZ 3.28Å; D319-K550 WeakPolarHBondContact O-CD 3.36Å; D319-K550 WeakPolarHBondContact O-CE 3.43Å; D319-K550 PolarHBondContact O-NZ 2.75Å; D319-K550 IonicContact OD1-NZ 3.13Å
320E90Very high90.1Very high54 Ų5442.9 Ų42.925%0.25222%0.216SC..  trans-84.1-29.2177.6-53.5-175.7-176.200114.9Y288 Y317 N318 V322 F553Y288-E320 HydrophobicContact CD2-CB 4.2Å; Y317-E320 WeakPolarHBondContact O-CB 3.16Å; Y317-E320 WeakPolarHBondContact O-CG 3.41Å; Y317-E320 PolarHBondContact O-N 3.4Å; N318-E320 HydrophobicContact CB-CG 4.09Å; N318-E320 PolarHBondContact O-N 2.84Å; N318-E320 VanDerWaalsContact O-N 3.1Å; E320-V322 PolarHBondContact O-N 2.76Å; E320-F553 HydrophobicContact CB-CD1 3.8Å; E320-F553 HydrophobicContact CB-CE1 3.66Å; E320-F553 HydrophobicContact CB-CG 4.46Å; E320-F553 HydrophobicContact CB-CZ 4.2Å; E320-F553 HydrophobicContact CG-CD1 4.08Å; E320-F553 HydrophobicContact CG-CE1 3.39Å; E320-F553 HydrophobicContact CG-CE2 4.49Å; E320-F553 HydrophobicContact CG-CZ 3.63Å
321P93.9Very high90Very high2 Ų243.4 Ų43.41%0.01322%0.218CC..PPolyproline II helixtrans-59.7134-178.3-27.234.2000115.1L277 Y288 L290 D314 Y317 Q323L277-P321 HydrophobicContact CD1-CG 4.44Å; Y288-P321 HydrophobicContact CG-CG 4.43Å; L290-P321 HydrophobicContact CB-CB 4.05Å; D314-P321 VanDerWaalsContact OD1-CD 3.32Å; D314-P321 WeakPolarHBondContact OD1-CD 3.43Å; Y317-P321 HydrophobicContact CG-CG 4.48Å; P321-Q323 PolarHBondContact O-N 2.94Å
322V91.7Very high89.9Confident5 Ų540.9 Ų40.93%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-76.2119.5165.1175.20000108Y288 L289 L290 E320 V324 V547 L548 I549 F553 P555Y288-V322 PolarHBondContact O-N 2.86Å; L289-V322 CarbonylContact C-O 3.6Å; L289-V322 WeakPolarHBondContact CA-O 3.3Å; L289-V322 HydrophobicContact CD2-CB 3.67Å; L289-V322 HydrophobicContact CD2-CG1 4.08Å; L289-V322 HydrophobicContact CD2-CG2 4.2Å; L290-V322 PolarHBondContact N-O 2.78Å; E320-V322 PolarHBondContact O-N 2.76Å; V322-V324 HydrophobicContact CG1-CG2 4.45Å; V322-V547 HydrophobicContact CG1-CG1 3.64Å; V322-L548 WeakPolarHBondContact CG1-O 3.37Å; V322-I549 HydrophobicContact CG1-CG1 3.93Å; V322-F553 VanDerWaalsContact CG2-O 3.32Å; V322-F553 WeakPolarHBondContact CG2-O 3.46Å; V322-P555 HydrophobicContact CG1-CG 4.38Å; V322-P555 HydrophobicContact CG2-CG 4.28Å
323Q92.9Very high89.6Confident19 Ų1940.8 Ų40.89%0.08920%0.198CC..EExtended strand (participates in β ladder)trans-91.5132.3-176.3-58.6-176.627.400110.4L290 M292 D314 P321 V547 L548L290-Q323 CarbonylContact O-C 3.56Å; L290-Q323 WeakPolarHBondContact O-CA 3.46Å; M292-Q323 HydrophobicContact CE-CB 4.22Å; D314-Q323 PolarHBondContact OD2-NE2 2.98Å; P321-Q323 PolarHBondContact O-N 2.94Å; Q323-V547 CarbonylContact O-C 3.55Å; Q323-V547 WeakPolarHBondContact O-CA 3.49Å; Q323-L548 HydrophobicContact CB-CB 4.02Å; Q323-L548 PolarHBondContact N-O 2.85Å; Q323-L548 PolarHBondContact O-N 2.81Å
324V91.1Very high89.5Confident6 Ų640.5 Ų40.54%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-126.2113.1-178.5-173.30000109.8L290 Y291 M292 V322 V326 V547L290-V324 PolarHBondContact O-N 2.9Å; Y291-V324 CarbonylContact C-O 3.21Å; Y291-V324 WeakPolarHBondContact CA-O 3.36Å; Y291-V324 HydrophobicContact CD1-CB 3.47Å; Y291-V324 VanDerWaalsContact CD1-CB 3.47Å; Y291-V324 HydrophobicContact CD1-CG1 3.65Å; Y291-V324 HydrophobicContact CD1-CG2 4.08Å; Y291-V324 HydrophobicContact CE1-CB 3.65Å; Y291-V324 HydrophobicContact CE1-CG1 3.6Å; Y291-V324 HydrophobicContact CE1-CG2 3.84Å; Y291-V324 HydrophobicContact CG-CB 4.28Å; M292-V324 PolarHBondContact N-O 3.18Å; V322-V324 HydrophobicContact CG1-CG2 4.45Å; V324-V326 HydrophobicContact CG1-CG2 3.83Å; V324-V547 HydrophobicContact CG1-CG2 4.03Å; V324-V547 HydrophobicContact CG2-CG1 4.12Å; V324-V547 HydrophobicContact CG2-CG2 4.35Å
325R90.9Very high89.6Confident58 Ų5840.2 Ų40.222%0.21920%0.195CC..EExtended strand (participates in β ladder)trans-82.7120173.5-174.6177.8168.6-117.4-5.7109.7M292 P545 I546M292-R325 HydrophobicContact CE-CB 3.88Å; R325-P545 WeakPolarHBondContact O-CA 3.33Å; R325-I546 PolarHBondContact N-O 3.01Å; R325-I546 PolarHBondContact O-N 3Å
326V90.2Very high89.6Confident0 Ų035.7 Ų35.70%017%0.174CC..EExtended strand (participates in β ladder)trans-122.9122.8-178.3-1760000109.9Y291 M292 W293 Q294 V324 E331 P332Y291-V326 HydrophobicContact CD1-CG2 3.7Å; Y291-V326 HydrophobicContact CE1-CG2 4.33Å; M292-V326 PolarHBondContact O-N 3.47Å; W293-V326 CarbonylContact C-O 3.09Å; W293-V326 WeakPolarHBondContact CA-O 3.38Å; Q294-V326 PolarHBondContact N-O 2.87Å; V324-V326 HydrophobicContact CG1-CG2 3.83Å; V326-E331 HydrophobicContact CG1-CB 4.46Å; V326-E331 HydrophobicContact CG1-CG 4.18Å; V326-P332 HydrophobicContact CG2-CG 4.18Å
327T88.1Confident89.4Confident16 Ų1629.1 Ų29.110%0.09815%0.146CC..EExtended strand (participates in β ladder)trans-94142.2174.39.20000110.2G329 K330 D543T327-G329 PolarHBondContact O-N 3.2Å; T327-K330 WeakPolarHBondContact O-CB 3.46Å; T327-K330 PolarHBondContact O-N 3.17Å; T327-D543 HydrophobicContact CG2-CB 4.32Å; T327-D543 WeakPolarHBondContact OG1-CB 3.49Å; T327-D543 PolarHBondContact OG1-O 3.27Å
328M88.1Confident89.5Confident13 Ų1327.8 Ų27.86%0.06414%0.142CC..THydrogen-bonded Turntrans-49.3121.4178174.3178139.200112.1W293 Q294 R296 I345W293-M328 HydrophobicContact CH2-CB 3.89Å; W293-M328 HydrophobicContact CH2-CG 3.99Å; W293-M328 HydrophobicContact CH2-SD 4.15Å; W293-M328 HydrophobicContact CZ2-CB 3.58Å; W293-M328 HydrophobicContact CZ2-CG 3.72Å; W293-M328 HydrophobicContact CZ2-SD 4.46Å; Q294-M328 PolarHBondContact O-N 3.46Å; R296-M328 HydrophobicContact CB-CB 4.48Å; R296-M328 HydrophobicContact CB-CE 4.05Å; R296-M328 HydrophobicContact CB-SD 3.71Å; M328-I345 HydrophobicContact CG-CG2 3.95Å; M328-I345 HydrophobicContact SD-CG2 4.18Å
329G82.4Confident89.6Confident29 Ų2922.8 Ų22.830%0.29911%0.114SC..THydrogen-bonded Turntrans96.8-11.3-17800000114.5T327 E331 K376T327-G329 PolarHBondContact O-N 3.2Å; G329-E331 VanDerWaalsContact CA-OE2 3.22Å; G329-E331 WeakPolarHBondContact CA-OE2 3.44Å; G329-E331 PolarHBondContact N-OE1 2.85Å; G329-E331 PolarHBondContact N-OE2 3.26Å; G329-K376 PolarHBondContact O-NZ 2.86Å
330K84.8Confident89.6Confident75 Ų7525.6 Ų25.633%0.32612%0.123SC..  trans-112.627.6-178.5-63.2-66.9-171.9174.70113.1T327 P332 D541 D543 P545T327-K330 WeakPolarHBondContact O-CB 3.46Å; T327-K330 PolarHBondContact O-N 3.17Å; K330-P332 WeakPolarHBondContact O-CD 3.31Å; K330-D541 WeakPolarHBondContact CE-OD2 3.35Å; K330-D541 VanDerWaalsContact NZ-CG 3.27Å; K330-D541 IonicContact NZ-OD2 3.46Å; K330-D541 PolarHBondContact NZ-OD2 3.4Å; K330-D543 WeakPolarHBondContact CB-O 3.09Å; K330-D543 HydrophobicContact CG-CB 3.86Å; K330-D543 WeakPolarHBondContact CG-O 3.3Å; K330-P545 HydrophobicContact CB-CG 4.35Å; K330-P545 VanDerWaalsContact O-CG 3.23Å; K330-P545 WeakPolarHBondContact O-CG 3.39Å
331E87.8Confident89.4Confident10 Ų1023 Ų235%0.04711%0.111CC..  trans-58.8124.5-179.4-63.273.4-153.900112.4W293 V326 G329 F335 M336 M343 I345 K376W293-E331 PolarHBondContact NE1-OE1 3.06Å; V326-E331 HydrophobicContact CG1-CB 4.46Å; V326-E331 HydrophobicContact CG1-CG 4.18Å; G329-E331 VanDerWaalsContact CA-OE2 3.22Å; G329-E331 WeakPolarHBondContact CA-OE2 3.44Å; G329-E331 PolarHBondContact N-OE1 2.85Å; G329-E331 PolarHBondContact N-OE2 3.26Å; E331-F335 HydrophobicContact CB-CD1 3.94Å; E331-F335 HydrophobicContact CG-CD1 3.85Å; E331-F335 HydrophobicContact CG-CE1 4.04Å; E331-M336 HydrophobicContact CB-CG 3.99Å; E331-M336 HydrophobicContact CB-SD 4.41Å; E331-M336 WeakPolarHBondContact O-CE 3.44Å; E331-M343 HydrophobicContact CG-CE 3.76Å; E331-M343 HydrophobicContact CG-SD 4.1Å; E331-I345 VanDerWaalsContact CD-CD1 3.41Å; E331-I345 HydrophobicContact CG-CD1 4.22Å; E331-I345 WeakPolarHBondContact OE1-CD1 3.28Å; E331-K376 IonicContact OE2-NZ 3.67Å; E331-K376 PolarHBondContact OE2-NZ 3.03Å
332P87.1Confident89.1Confident9 Ų927.6 Ų27.66%0.05813%0.131CC..  trans-60.4155.5171.7-27.937.3000113.2Y291 V326 K330 H334 F335 M336 P545Y291-P332 HydrophobicContact CE1-CG 4.49Å; V326-P332 HydrophobicContact CG2-CG 4.18Å; K330-P332 WeakPolarHBondContact O-CD 3.31Å; P332-H334 PolarHBondContact O-N 2.7Å; P332-F335 HydrophobicContact CB-CB 4.3Å; P332-F335 WeakPolarHBondContact O-CB 3.41Å; P332-F335 PolarHBondContact O-N 3.23Å; P332-M336 PolarHBondContact O-N 3.22Å; P332-M336 VanDerWaalsContact O-N 3.15Å; P332-P545 HydrophobicContact CG-CB 4.31Å; P332-P545 HydrophobicContact CG-CG 4.18Å
333R86Confident89.1Confident56 Ų5627.4 Ų27.421%0.21113%0.129CC..Hα-helixtrans-54.8-49.6176.5-166.2-177.4-176.7175-0.4112.6E237 M239 F335 M336 A337 D371 S373 N374E237-R333 WeakPolarHBondContact O-CD 3.17Å; E237-R333 IonicContact OE2-CZ 3.81Å; E237-R333 IonicContact OE2-NH1 3.54Å; E237-R333 PolarHBondContact OE2-NH1 2.64Å; E237-R333 IonicContact OE2-NH2 3.22Å; M239-R333 HydrophobicContact CG-CG 4.48Å; M239-R333 HydrophobicContact SD-CB 4.01Å; M239-R333 HydrophobicContact SD-CG 3.69Å; R333-F335 PolarHBondContact O-N 3.46Å; R333-M336 PolarHBondContact O-N 3.18Å; R333-M336 VanDerWaalsContact O-N 3.13Å; R333-A337 PolarHBondContact O-N 3.17Å; R333-D371 IonicContact NH2-OD2 2.71Å; R333-S373 WeakPolarHBondContact CG-O 3.47Å; R333-S373 PolarHBondContact NE-OG 3.18Å; R333-N374 HydrophobicContact CG-CB 4.21Å
334H91.5Very high89Confident4 Ų426.5 Ų26.52%0.01913%0.125CC..Hα-helixtrans-58.1-36.7176.9-178.5-94.2000112.9M239 V240 D241 Y278 Y291 P332 M336 A337 M338M239-H334 VanDerWaalsContact SD-CA 3.5Å; M239-H334 HydrophobicContact SD-CB 3.94Å; M239-H334 PolarHBondContact SD-N 3.27Å; M239-H334 VanDerWaalsContact SD-N 3.43Å; V240-H334 VanDerWaalsContact CG2-NE2 3.28Å; V240-H334 WeakPolarHBondContact CG2-NE2 3.35Å; D241-H334 IonicContact OD1-CD2 2.64Å; D241-H334 IonicContact OD1-NE2 3.66Å; D241-H334 PolarHBondContact OD1-NE2 3.44Å; Y278-H334 AromaticContact CD1-CE1 3.49Å; Y278-H334 VanDerWaalsContact CD1-CE1 3.49Å; Y278-H334 WeakPolarHBondContact CD1-CE1 3.44Å; Y278-H334 AromaticContact CD1-NE2 3.96Å; Y278-H334 AromaticContact CE1-CE1 3.41Å; Y278-H334 VanDerWaalsContact CE1-CE1 3.41Å; Y278-H334 WeakPolarHBondContact CE1-CE1 3.48Å; Y278-H334 AromaticContact CE1-NE2 3.38Å; Y278-H334 WeakPolarHBondContact CE1-NE2 3.47Å; Y278-H334 AromaticContact CZ-CE1 3.99Å; Y278-H334 AromaticContact CZ-NE2 3.79Å; Y291-H334 AromaticContact CE2-ND1 3.91Å; Y291-H334 AromaticContact CZ-ND1 3.73Å; Y291-H334 PolarHBondContact OH-ND1 3.43Å; P332-H334 PolarHBondContact O-N 2.7Å; H334-M336 PolarHBondContact O-N 3.36Å; H334-A337 PolarHBondContact O-N 3.11Å; H334-M338 PolarHBondContact O-N 3.01Å
335F92.5Very high89.1Confident0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-62.7-44.8177.1-174.9-92.6000112.1F268 I276 Y291 W293 E331 P332 R333 A337 M338 F339 M343F268-F335 AromaticContact CE1-CZ 3.96Å; F268-F335 HydrophobicContact CE1-CZ 3.96Å; F268-F335 HydrophobicContact CE2-CE1 4.13Å; F268-F335 HydrophobicContact CE2-CZ 4.16Å; F268-F335 HydrophobicContact CZ-CE1 4.05Å; F268-F335 AromaticContact CZ-CZ 3.61Å; F268-F335 HydrophobicContact CZ-CZ 3.61Å; I276-F335 HydrophobicContact CD1-CE2 3.81Å; I276-F335 HydrophobicContact CD1-CZ 4.08Å; I276-F335 HydrophobicContact CG1-CE2 4.08Å; I276-F335 HydrophobicContact CG1-CZ 4.45Å; Y291-F335 HydrophobicContact CD1-CB 4.44Å; Y291-F335 AromaticContact CD1-CD2 3.55Å; Y291-F335 HydrophobicContact CD1-CD2 3.55Å; Y291-F335 HydrophobicContact CD1-CE2 4.26Å; Y291-F335 HydrophobicContact CD1-CG 4.41Å; Y291-F335 AromaticContact CD2-CD2 3.86Å; Y291-F335 HydrophobicContact CD2-CD2 3.86Å; Y291-F335 HydrophobicContact CD2-CE2 4.39Å; Y291-F335 HydrophobicContact CE1-CB 4.07Å; Y291-F335 AromaticContact CE1-CD2 3.99Å; Y291-F335 HydrophobicContact CE1-CD2 3.99Å; Y291-F335 HydrophobicContact CE2-CD2 4.26Å; Y291-F335 AromaticContact CG-CD2 3.49Å; Y291-F335 HydrophobicContact CG-CD2 3.49Å; Y291-F335 VanDerWaalsContact CG-CD2 3.49Å; Y291-F335 AromaticContact CG-CE2 3.91Å; Y291-F335 HydrophobicContact CG-CE2 3.91Å; W293-F335 HydrophobicContact CB-CZ 4.18Å; W293-F335 AromaticContact CD1-CE1 3.87Å; W293-F335 AromaticContact CD1-CZ 3.78Å; W293-F335 HydrophobicContact CG-CZ 4.2Å; E331-F335 HydrophobicContact CB-CD1 3.94Å; E331-F335 HydrophobicContact CG-CD1 3.85Å; E331-F335 HydrophobicContact CG-CE1 4.04Å; P332-F335 HydrophobicContact CB-CB 4.3Å; P332-F335 WeakPolarHBondContact O-CB 3.41Å; P332-F335 PolarHBondContact O-N 3.23Å; R333-F335 PolarHBondContact O-N 3.46Å; F335-A337 VanDerWaalsContact C-N 3.34Å; F335-M338 HydrophobicContact CB-CE 4.22Å; F335-M338 HydrophobicContact CD2-CE 3.38Å; F335-M338 HydrophobicContact CE2-CE 3.92Å; F335-M338 HydrophobicContact CG-CE 3.93Å; F335-F339 HydrophobicContact CD1-CE2 4.14Å; F335-F339 AromaticContact CE1-CE2 3.87Å; F335-F339 HydrophobicContact CE1-CE2 3.87Å; F335-F339 HydrophobicContact CZ-CE2 4.1Å; F335-F339 VanDerWaalsContact O-CD2 3.28Å; F335-F339 WeakPolarHBondContact O-CD2 3.49Å; F335-F339 VanDerWaalsContact O-CE2 3.25Å; F335-F339 WeakPolarHBondContact O-CE2 3.01Å; F335-M343 HydrophobicContact CD1-CE 4.16Å; F335-M343 HydrophobicContact CD1-SD 4.05Å; F335-M343 HydrophobicContact CE1-CE 3.52Å; F335-M343 HydrophobicContact CE1-SD 3.96Å
336M90.9Very high89.1Confident15 Ų1524 Ų247%0.07412%0.116CC..Hα-helixtrans-66.1-37.4176.7-65.3-179.4-74.700112E331 P332 R333 H334 M338 F339 M343 N374 K376E331-M336 HydrophobicContact CB-CG 3.99Å; E331-M336 HydrophobicContact CB-SD 4.41Å; E331-M336 WeakPolarHBondContact O-CE 3.44Å; P332-M336 PolarHBondContact O-N 3.22Å; P332-M336 VanDerWaalsContact O-N 3.15Å; R333-M336 PolarHBondContact O-N 3.18Å; R333-M336 VanDerWaalsContact O-N 3.13Å; H334-M336 PolarHBondContact O-N 3.36Å; M336-M338 VanDerWaalsContact C-N 3.27Å; M336-M338 PolarHBondContact O-N 3Å; M336-F339 PolarHBondContact O-N 2.79Å; M336-M343 HydrophobicContact CG-SD 4.04Å; M336-N374 HydrophobicContact CE-CB 4.35Å; M336-K376 HydrophobicContact SD-CB 3.94Å; M336-K376 HydrophobicContact SD-CD 3.76Å; M336-K376 HydrophobicContact SD-CG 4Å
337A90.5Very high88.9Confident3 Ų326.7 Ų26.73%0.02513%0.13CC..Hα-helixtrans-59.7-33.2-179.100000113.8M239 R333 H334 F335 F339 K340M239-A337 HydrophobicContact CE-CB 3.54Å; M239-A337 HydrophobicContact SD-CB 4.35Å; R333-A337 PolarHBondContact O-N 3.17Å; H334-A337 PolarHBondContact O-N 3.11Å; F335-A337 VanDerWaalsContact C-N 3.34Å; A337-F339 PolarHBondContact O-N 3.38Å; A337-F339 VanDerWaalsContact O-N 3.08Å; A337-K340 PolarHBondContact O-N 2.78Å; A337-K340 VanDerWaalsContact O-N 3.07Å
338M93.2Very high88.7Confident14 Ų1427 Ų277%0.06914%0.135CC..THydrogen-bonded Turntrans-55-28.1174.7-65-170-79.800112.9V247 I276 Y278 Y291 H334 F335 M336V247-M338 HydrophobicContact CG2-CB 4.33Å; V247-M338 HydrophobicContact CG2-CG 4.47Å; V247-M338 HydrophobicContact CG2-SD 4.14Å; I276-M338 HydrophobicContact CG2-CE 4.2Å; I276-M338 HydrophobicContact CG2-SD 4.31Å; Y278-M338 HydrophobicContact CD2-CG 3.99Å; Y278-M338 HydrophobicContact CD2-SD 3.53Å; Y278-M338 VanDerWaalsContact CD2-SD 3.53Å; Y278-M338 HydrophobicContact CE2-CG 4.05Å; Y278-M338 HydrophobicContact CE2-SD 4.21Å; Y278-M338 HydrophobicContact CG-SD 3.85Å; Y291-M338 HydrophobicContact CD2-CE 3.66Å; Y291-M338 HydrophobicContact CE2-CE 3.62Å; Y291-M338 HydrophobicContact CE2-SD 4.35Å; Y291-M338 HydrophobicContact CG-CE 4.48Å; H334-M338 PolarHBondContact O-N 3.01Å; F335-M338 HydrophobicContact CB-CE 4.22Å; F335-M338 HydrophobicContact CD2-CE 3.38Å; F335-M338 HydrophobicContact CE2-CE 3.92Å; F335-M338 HydrophobicContact CG-CE 3.93Å; M336-M338 VanDerWaalsContact C-N 3.27Å; M336-M338 PolarHBondContact O-N 3Å
339F90.9Very high88.6Confident17 Ų1728.4 Ų28.48%0.07515%0.153CC..THydrogen-bonded Turntrans-103.32.8-176.5-50.6-66.3000113.6F268 F335 M336 A337 G341 K342 M343F268-F339 HydrophobicContact CE2-CD2 4.36Å; F268-F339 HydrophobicContact CE2-CE1 4.37Å; F268-F339 AromaticContact CE2-CE2 3.75Å; F268-F339 HydrophobicContact CE2-CE2 3.75Å; F268-F339 AromaticContact CE2-CZ 3.77Å; F268-F339 HydrophobicContact CE2-CZ 3.77Å; F268-F339 HydrophobicContact CZ-CE1 4.3Å; F268-F339 AromaticContact CZ-CE2 3.86Å; F268-F339 HydrophobicContact CZ-CE2 3.86Å; F268-F339 AromaticContact CZ-CZ 3.54Å; F268-F339 HydrophobicContact CZ-CZ 3.54Å; F335-F339 HydrophobicContact CD1-CE2 4.14Å; F335-F339 AromaticContact CE1-CE2 3.87Å; F335-F339 HydrophobicContact CE1-CE2 3.87Å; F335-F339 HydrophobicContact CZ-CE2 4.1Å; F335-F339 VanDerWaalsContact O-CD2 3.28Å; F335-F339 WeakPolarHBondContact O-CD2 3.49Å; F335-F339 VanDerWaalsContact O-CE2 3.25Å; F335-F339 WeakPolarHBondContact O-CE2 3.01Å; M336-F339 PolarHBondContact O-N 2.79Å; A337-F339 PolarHBondContact O-N 3.38Å; A337-F339 VanDerWaalsContact O-N 3.08Å; F339-G341 VanDerWaalsContact C-N 3.29Å; F339-G341 PolarHBondContact O-N 2.75Å; F339-K342 VanDerWaalsContact O-CB 3.3Å; F339-K342 WeakPolarHBondContact O-CB 3.15Å; F339-K342 PolarHBondContact O-N 3.41Å; F339-M343 HydrophobicContact CB-CB 4.04Å; F339-M343 HydrophobicContact CD2-CB 4.12Å; F339-M343 HydrophobicContact CD2-CG 4.08Å; F339-M343 HydrophobicContact CD2-SD 4.3Å; F339-M343 HydrophobicContact CG-CB 4.36Å
340K87.9Confident88.7Confident133 Ų13328.4 Ų28.458%0.57815%0.148SC*.THydrogen-bonded Turntrans50.745.9170.9-55178-177.4176.20113.2A337 K342 P372A337-K340 PolarHBondContact O-N 2.78Å; A337-K340 VanDerWaalsContact O-N 3.07Å; K340-K342 VanDerWaalsContact C-N 3.29Å; K340-K342 PolarHBondContact O-N 3.33Å; K340-P372 CarbonylContact C-O 3.55Å
341G84.5Confident88.7Confident0 Ų026.3 Ų26.30%014%0.143CC..THydrogen-bonded Turntrans79.41.7-179.800000115.6F339 P372F339-G341 VanDerWaalsContact C-N 3.29Å; F339-G341 PolarHBondContact O-N 2.75Å; G341-P372 PolarHBondContact N-O 3.13Å
342K87.8Confident88.6Confident98 Ų9828.7 Ų28.743%0.42615%0.151SC..  trans-10014.7-178-56.6179.4179.7-177.40113.5F339 K340 V344 E419F339-K342 VanDerWaalsContact O-CB 3.3Å; F339-K342 WeakPolarHBondContact O-CB 3.15Å; F339-K342 PolarHBondContact O-N 3.41Å; K340-K342 VanDerWaalsContact C-N 3.29Å; K340-K342 PolarHBondContact O-N 3.33Å; K342-V344 PolarHBondContact O-N 3.34Å; K342-E419 WeakPolarHBondContact CE-OE2 3.31Å; K342-E419 IonicContact NZ-OE2 2.96Å; K342-E419 PolarHBondContact NZ-OE2 2.81Å
343M91.5Very high88Confident0 Ų035.7 Ų35.70%019%0.188CC..EExtended strand (participates in β ladder)trans-71.7126177.8-170.1-175.2176.500110.3G266 F268 E331 F335 M336 F339 I345 T377G266-M343 CarbonylContact O-C 3.54Å; G266-M343 WeakPolarHBondContact O-CA 3.24Å; F268-M343 HydrophobicContact CD2-CE 3.38Å; F268-M343 HydrophobicContact CD2-CG 4.22Å; F268-M343 HydrophobicContact CE2-CE 3.65Å; F268-M343 HydrophobicContact CE2-CG 4.22Å; F268-M343 HydrophobicContact CG-CE 4.17Å; E331-M343 HydrophobicContact CG-CE 3.76Å; E331-M343 HydrophobicContact CG-SD 4.1Å; F335-M343 HydrophobicContact CD1-CE 4.16Å; F335-M343 HydrophobicContact CD1-SD 4.05Å; F335-M343 HydrophobicContact CE1-CE 3.52Å; F335-M343 HydrophobicContact CE1-SD 3.96Å; M336-M343 HydrophobicContact CG-SD 4.04Å; F339-M343 HydrophobicContact CB-CB 4.04Å; F339-M343 HydrophobicContact CD2-CB 4.12Å; F339-M343 HydrophobicContact CD2-CG 4.08Å; F339-M343 HydrophobicContact CD2-SD 4.3Å; F339-M343 HydrophobicContact CG-CB 4.36Å; M343-I345 HydrophobicContact CE-CD1 3.57Å; M343-I345 HydrophobicContact CE-CG1 3.51Å; M343-T377 WeakPolarHBondContact O-CB 3.46Å; M343-T377 PolarHBondContact O-N 3.34Å
344V92.1Very high87.1Confident0 Ų036.9 Ų36.90%022%0.218CC..EExtended strand (participates in β ladder)trans-125.9126.9176.3-1740000109.6G266 Y267 F268 K342 F346 F365 T377 V420 V424G266-V344 PolarHBondContact O-N 3.06Å; Y267-V344 WeakPolarHBondContact CA-O 3.43Å; Y267-V344 HydrophobicContact CD1-CB 3.79Å; Y267-V344 HydrophobicContact CD1-CG1 4.45Å; Y267-V344 HydrophobicContact CD1-CG2 4.08Å; Y267-V344 HydrophobicContact CE1-CB 3.97Å; Y267-V344 HydrophobicContact CE1-CG2 3.71Å; F268-V344 PolarHBondContact N-O 2.92Å; K342-V344 PolarHBondContact O-N 3.34Å; V344-F346 HydrophobicContact CG1-CD1 4.38Å; V344-F346 HydrophobicContact CG1-CE1 3.93Å; V344-F346 HydrophobicContact CG1-CE2 4.27Å; V344-F346 HydrophobicContact CG1-CZ 3.86Å; V344-F365 HydrophobicContact CG1-CD1 4.43Å; V344-F365 HydrophobicContact CG1-CE1 4.3Å; V344-T377 CarbonylContact C-O 3.49Å; V344-T377 WeakPolarHBondContact CA-O 3.11Å; V344-T377 HydrophobicContact CG1-CG2 4.45Å; V344-V420 HydrophobicContact CG2-CG1 3.72Å; V344-V424 HydrophobicContact CG1-CG2 4.42Å; V344-V424 HydrophobicContact CG2-CG2 4.43Å
345I92Very high85.7Confident0 Ų041 Ų410%024%0.24CC..EExtended strand (participates in β ladder)trans-113.3117.8176.3-55.7176.6000108.2F268 W293 M328 E331 M343 T377 I378 E379F268-I345 CarbonylContact O-C 3.52Å; F268-I345 WeakPolarHBondContact O-CA 3.43Å; W293-I345 HydrophobicContact CH2-CG2 4.15Å; W293-I345 HydrophobicContact CZ2-CD1 4.34Å; W293-I345 HydrophobicContact CZ2-CG1 4.45Å; W293-I345 HydrophobicContact CZ2-CG2 3.84Å; M328-I345 HydrophobicContact CG-CG2 3.95Å; M328-I345 HydrophobicContact SD-CG2 4.18Å; E331-I345 VanDerWaalsContact CD-CD1 3.41Å; E331-I345 HydrophobicContact CG-CD1 4.22Å; E331-I345 WeakPolarHBondContact OE1-CD1 3.28Å; M343-I345 HydrophobicContact CE-CD1 3.57Å; M343-I345 HydrophobicContact CE-CG1 3.51Å; I345-T377 PolarHBondContact N-O 3.01Å; I345-I378 HydrophobicContact CB-CG1 4.36Å; I345-I378 HydrophobicContact CD1-CD1 4.44Å; I345-I378 HydrophobicContact CD1-CG1 4.19Å; I345-E379 PolarHBondContact O-N 3.07Å
346F91.3Very high84Confident13 Ų1346.1 Ų46.16%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-86.1138.2171-56.9-69.5000109.6Y267 F268 Y269 G270 V344 G348 F365 E379Y267-F346 HydrophobicContact CD1-CE2 4.04Å; Y267-F346 HydrophobicContact CD1-CZ 4.19Å; F268-F346 WeakPolarHBondContact O-CD2 3.24Å; F268-F346 PolarHBondContact O-N 2.78Å; Y269-F346 HydrophobicContact CD1-CB 3.96Å; Y269-F346 AromaticContact CD1-CD2 3.73Å; Y269-F346 HydrophobicContact CD1-CD2 3.73Å; Y269-F346 HydrophobicContact CD1-CG 4.1Å; Y269-F346 AromaticContact CD2-CD2 3.83Å; Y269-F346 HydrophobicContact CD2-CD2 3.83Å; Y269-F346 HydrophobicContact CD2-CE2 4.39Å; Y269-F346 HydrophobicContact CE1-CB 4.34Å; Y269-F346 AromaticContact CE1-CD2 3.51Å; Y269-F346 HydrophobicContact CE1-CD2 3.51Å; Y269-F346 AromaticContact CE1-CE2 3.97Å; Y269-F346 HydrophobicContact CE1-CE2 3.97Å; Y269-F346 HydrophobicContact CE1-CG 4.01Å; Y269-F346 AromaticContact CE2-CD2 3.57Å; Y269-F346 HydrophobicContact CE2-CD2 3.57Å; Y269-F346 AromaticContact CE2-CE2 3.7Å; Y269-F346 HydrophobicContact CE2-CE2 3.7Å; Y269-F346 HydrophobicContact CG-CB 4.36Å; Y269-F346 AromaticContact CG-CD2 3.91Å; Y269-F346 HydrophobicContact CG-CD2 3.91Å; Y269-F346 AromaticContact CZ-CD2 3.43Å; Y269-F346 VanDerWaalsContact CZ-CD2 3.43Å; Y269-F346 AromaticContact CZ-CE2 3.48Å; Y269-F346 VanDerWaalsContact CZ-CE2 3.48Å; G270-F346 PolarHBondContact N-O 2.82Å; V344-F346 HydrophobicContact CG1-CD1 4.38Å; V344-F346 HydrophobicContact CG1-CE1 3.93Å; V344-F346 HydrophobicContact CG1-CE2 4.27Å; V344-F346 HydrophobicContact CG1-CZ 3.86Å; F346-G348 PolarHBondContact O-N 2.82Å; F346-F365 AromaticContact CD1-CE1 3.66Å; F346-F365 HydrophobicContact CD1-CE1 3.66Å; F346-F365 HydrophobicContact CD1-CZ 4.06Å; F346-F365 AromaticContact CE1-CE1 3.67Å; F346-F365 HydrophobicContact CE1-CE1 3.67Å; F346-F365 AromaticContact CE1-CZ 3.82Å; F346-F365 HydrophobicContact CE1-CZ 3.82Å; F346-E379 WeakPolarHBondContact CA-OE2 3.24Å
347D86.1Confident82.8Confident56 Ų5650.9 Ų50.930%0.29930%0.301SS..SBendtrans-62.9-37.4-173.3-174.754.4000110.5G270 R296 H297 E379G270-D347 WeakPolarHBondContact CA-O 3.32Å; R296-D347 IonicContact NH1-OD1 2.64Å; H297-D347 PolarHBondContact CD2-O 2.94Å; H297-D347 PolarHBondContact NE2-O 3.22Å; D347-E379 HydrophobicContact CB-CB 4.19Å; D347-E379 HydrophobicContact CB-CG 4.24Å; D347-E379 PolarHBondContact N-OE2 2.88Å; D347-E379 VanDerWaalsContact N-OE2 3.12Å
348G83.3Confident81.7Confident21 Ų2156.4 Ų56.422%0.21634%0.337CS..SBendtrans-144.8-150.717500000113.2F346F346-G348 PolarHBondContact O-N 2.82Å
349G85.6Confident80.8Confident43 Ų4360.5 Ų60.544%0.44336%0.356SS..  trans71.6-169.2-175.100000112.9G271G271-G349 VanDerWaalsContact CA-O 3.26Å; G271-G349 WeakPolarHBondContact CA-O 3.46Å; G271-G349 PolarHBondContact N-O 3.14Å
350T86.1Confident80.4Confident30 Ų3063 Ų6318%0.18437%0.374CS..  trans-146.5150.9179.6179.10000109.8D272 R352 N355D272-T350 WeakPolarHBondContact OD1-CB 3.31Å; D272-T350 PolarHBondContact OD1-OG1 3.03Å; D272-T350 WeakPolarHBondContact OD2-CA 3.5Å; D272-T350 PolarHBondContact OD2-OG1 3.27Å; T350-R352 VanDerWaalsContact C-N 3.28Å; T350-R352 HydrophobicContact CG2-CB 4.01Å; T350-R352 HydrophobicContact CG2-CG 4.49Å; T350-R352 WeakPolarHBondContact OG1-CB 3.41Å; T350-R352 WeakPolarHBondContact OG1-CD 3.31Å; T350-R352 WeakPolarHBondContact OG1-CG 3.34Å; T350-R352 PolarHBondContact OG1-N 3.47Å; T350-R352 VanDerWaalsContact OG1-N 3.15Å; T350-R352 PolarHBondContact OG1-NE 2.79Å; T350-R352 VanDerWaalsContact OG1-NE 3.16Å; T350-N355 HydrophobicContact CG2-CB 3.66Å; T350-N355 WeakPolarHBondContact CG2-ND2 3.3Å
351S84Confident80.3Confident31 Ų3160.8 Ų60.822%0.21737%0.373CS..  trans-87.87.2171.246.30000113.3R251 Y269 D272 Y274R251-S351 VanDerWaalsContact CZ-C 3.47Å; R251-S351 PolarHBondContact NH1-O 2.88Å; R251-S351 PolarHBondContact NH1-OG 2.81Å; R251-S351 PolarHBondContact NH2-O 3.08Å; Y269-S351 VanDerWaalsContact CE2-CB 3.49Å; D272-S351 PolarHBondContact OD2-N 2.88Å; D272-S351 PolarHBondContact OD2-OG 2.66Å; Y274-S351 PolarHBondContact OH-OG 3.08Å
352R86.2Confident80.6Confident60 Ų6062.4 Ų62.423%0.22638%0.383CS..  trans-61.4140-179.3-74.7171.4-138.2-163.53.3113.4E253 D272 E302 T350 G354E253-R352 HydrophobicContact CG-CG 3.75Å; D272-R352 IonicContact OD1-CZ 2.71Å; D272-R352 IonicContact OD1-NE 2.89Å; D272-R352 PolarHBondContact OD1-NE 3.36Å; D272-R352 VanDerWaalsContact OD1-NE 3.11Å; D272-R352 IonicContact OD1-NH2 2.57Å; D272-R352 PolarHBondContact OD1-NH2 3.24Å; E302-R352 IonicContact OE1-CZ 3.08Å; E302-R352 IonicContact OE1-NH1 2.69Å; E302-R352 PolarHBondContact OE1-NH1 3.37Å; E302-R352 IonicContact OE1-NH2 2.78Å; E302-R352 PolarHBondContact OE1-NH2 2.76Å; E302-R352 IonicContact OE2-CZ 3.98Å; E302-R352 IonicContact OE2-NH2 3.04Å; E302-R352 PolarHBondContact OE2-NH2 2.82Å; T350-R352 VanDerWaalsContact C-N 3.28Å; T350-R352 HydrophobicContact CG2-CB 4.01Å; T350-R352 HydrophobicContact CG2-CG 4.49Å; T350-R352 WeakPolarHBondContact OG1-CB 3.41Å; T350-R352 WeakPolarHBondContact OG1-CD 3.31Å; T350-R352 WeakPolarHBondContact OG1-CG 3.34Å; T350-R352 PolarHBondContact OG1-N 3.47Å; T350-R352 VanDerWaalsContact OG1-N 3.15Å; T350-R352 PolarHBondContact OG1-NE 2.79Å; T350-R352 VanDerWaalsContact OG1-NE 3.16Å; R352-G354 PolarHBondContact O-N 2.86Å
353N74.1Confident80.8Confident155 Ų15559.1 Ų59.183%0.82937%0.368SS*.THydrogen-bonded Turntrans-67.4125.1173.6-70.8-32.3000110
354G66.1Low80.9Confident81 Ų8159.1 Ų59.184%0.83537%0.368SS*.THydrogen-bonded Turntrans95.2-1.8174.300000115.7R352R352-G354 PolarHBondContact O-N 2.86Å
355N62.2Low80.9Confident91 Ų9159.1 Ų59.149%0.48737%0.368SS..  trans-81.8124.5166.5-15425.7000109.4T350 D357T350-N355 HydrophobicContact CG2-CB 3.66Å; T350-N355 WeakPolarHBondContact CG2-ND2 3.3Å; N355-D357 PolarHBondContact ND2-OD2 2.78Å
356S57.5Low80.9Confident107 Ų10760.5 Ų60.575%0.74837%0.374SS*.  trans-118.940.2-171.256.60000111.3P358S356-P358 WeakPolarHBondContact O-CD 3.49Å
357D65.3Low80.9Confident115 Ų11559.9 Ų59.962%0.61537%0.372SS*.PPolyproline II helixtrans-61.5123.2169.1-70.2-39.9000107.9N355 E359N355-D357 PolarHBondContact ND2-OD2 2.78Å; D357-E359 PolarHBondContact O-N 3.42Å
358P68.7Low80.7Confident119 Ų11961.9 Ų61.977%0.77338%0.375SS*.PPolyproline II helixtrans-61.7129.2-178.823-30.8000109.1S356S356-P358 WeakPolarHBondContact O-CD 3.49Å
359E74.2Confident80.4Confident101 Ų10161.3 Ų61.347%0.47237%0.369SS..PPolyproline II helixtrans-57.9133.8178.1-169.8176.1-166.400109.5D357 R363 K396D357-E359 PolarHBondContact O-N 3.42Å; E359-R363 VanDerWaalsContact OE1-CD 3.28Å; E359-R363 WeakPolarHBondContact OE1-CD 3.49Å; E359-R363 IonicContact OE1-CZ 3.31Å; E359-R363 IonicContact OE1-NE 2.75Å; E359-R363 IonicContact OE1-NH1 3Å; E359-R363 PolarHBondContact OE1-NH1 3.06Å; E359-K396 IonicContact OE1-NZ 2.68Å; E359-K396 PolarHBondContact OE1-NZ 2.65Å; E359-K396 IonicContact OE2-NZ 2.78Å; E359-K396 PolarHBondContact OE2-NZ 3.07Å
360P82.6Confident79.7Confident68 Ų6862.2 Ų62.244%0.44237%0.369SS..PPolyproline II helixtrans-54.6140.2176.7-25.633.4000111.3V362 R363P360-V362 PolarHBondContact O-N 2.5Å; P360-R363 HydrophobicContact CB-CG 4.06Å; P360-R363 HydrophobicContact CG-CG 4.45Å
361P85.6Confident79.3Confident87 Ų8762.7 Ų62.757%0.56537%0.37SS*.SBendtrans-65.6-23.6-17626.9-35.2000113S397P361-S397 WeakPolarHBondContact O-CA 3.38Å
362V91.2Very high79Confident34 Ų3464.2 Ų64.221%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-136.8132.9177.4-175.40000108.6P360 A382 L395 K396 L448P360-V362 PolarHBondContact O-N 2.5Å; V362-A382 HydrophobicContact CG1-CB 4.01Å; V362-L395 HydrophobicContact CG1-CD1 3.4Å; V362-L395 HydrophobicContact CG1-CG 4.44Å; V362-K396 CarbonylContact C-O 3.58Å; V362-K396 VanDerWaalsContact CA-O 3.31Å; V362-K396 WeakPolarHBondContact CA-O 3.43Å; V362-L448 HydrophobicContact CG1-CB 4.48Å; V362-L448 HydrophobicContact CG2-CD2 3.88Å
363R91.9Very high78.6Confident29 Ų2962.2 Ų62.211%0.10938%0.375CS..EExtended strand (participates in β ladder)trans-134.2136.9178.3-57.7-179.975.2178.68.8109.2E359 P360 F365 E379 L395 K396E359-R363 VanDerWaalsContact OE1-CD 3.28Å; E359-R363 WeakPolarHBondContact OE1-CD 3.49Å; E359-R363 IonicContact OE1-CZ 3.31Å; E359-R363 IonicContact OE1-NE 2.75Å; E359-R363 IonicContact OE1-NH1 3Å; E359-R363 PolarHBondContact OE1-NH1 3.06Å; P360-R363 HydrophobicContact CB-CG 4.06Å; P360-R363 HydrophobicContact CG-CG 4.45Å; R363-F365 HydrophobicContact CB-CD2 4.49Å; R363-F365 HydrophobicContact CB-CE2 3.65Å; R363-F365 HydrophobicContact CB-CZ 4.07Å; R363-E379 IonicContact CZ-OE1 2.97Å; R363-E379 IonicContact CZ-OE2 3.78Å; R363-E379 IonicContact NE-OE1 2.71Å; R363-E379 PolarHBondContact NE-OE1 3.37Å; R363-E379 IonicContact NE-OE2 3.99Å; R363-E379 IonicContact NH2-OE1 3.11Å; R363-E379 PolarHBondContact NH2-OE1 2.77Å; R363-E379 VanDerWaalsContact NH2-OE1 3.1Å; R363-E379 IonicContact NH2-OE2 3.82Å; R363-E379 PolarHBondContact NH2-OE2 2.78Å; R363-L395 CarbonylContact O-C 3.57Å; R363-L395 WeakPolarHBondContact O-CA 3.44Å; R363-K396 HydrophobicContact CB-CB 4.5Å; R363-K396 PolarHBondContact N-O 2.79Å; R363-K396 PolarHBondContact O-N 3.16Å
364L92.8Very high78.8Confident1 Ų156.8 Ų56.81%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-117.2131.1178.3-177.865.4000108.9E379 V380 A382 L387 F393 L394 L395 L449L364-E379 WeakPolarHBondContact O-CA 3.32Å; L364-V380 HydrophobicContact CB-CG2 4.08Å; L364-V380 HydrophobicContact CD2-CG2 3.77Å; L364-V380 HydrophobicContact CG-CG2 3.67Å; L364-V380 PolarHBondContact O-N 3.49Å; L364-V380 VanDerWaalsContact O-O 3.14Å; L364-A382 HydrophobicContact CB-CB 4.04Å; L364-L387 HydrophobicContact CD2-CD2 4.47Å; L364-F393 HydrophobicContact CD1-CB 4Å; L364-F393 HydrophobicContact CD1-CD1 3.96Å; L364-F393 HydrophobicContact CD1-CG 4.44Å; L364-F393 HydrophobicContact CD2-CD1 4.19Å; L364-F393 HydrophobicContact CG-CD1 4.01Å; L364-L394 CarbonylContact C-O 3.53Å; L364-L394 WeakPolarHBondContact CA-O 3.44Å; L364-L395 HydrophobicContact CB-CD1 4.36Å; L364-L395 HydrophobicContact CD1-CB 4.05Å; L364-L395 HydrophobicContact CD1-CD1 4.22Å; L364-L449 HydrophobicContact CD1-CD2 4.48Å; L364-L449 HydrophobicContact CD2-CD2 4.03Å
365F92.7Very high79.7Confident0 Ų053 Ų530%031%0.306CS..EExtended strand (participates in β ladder)trans-122.3131.5178.9-60.7-89.8000110V344 F346 R363 T377 I378 E379 F393 L394 V424V344-F365 HydrophobicContact CG1-CD1 4.43Å; V344-F365 HydrophobicContact CG1-CE1 4.3Å; F346-F365 AromaticContact CD1-CE1 3.66Å; F346-F365 HydrophobicContact CD1-CE1 3.66Å; F346-F365 HydrophobicContact CD1-CZ 4.06Å; F346-F365 AromaticContact CE1-CE1 3.67Å; F346-F365 HydrophobicContact CE1-CE1 3.67Å; F346-F365 AromaticContact CE1-CZ 3.82Å; F346-F365 HydrophobicContact CE1-CZ 3.82Å; R363-F365 HydrophobicContact CB-CD2 4.49Å; R363-F365 HydrophobicContact CB-CE2 3.65Å; R363-F365 HydrophobicContact CB-CZ 4.07Å; F365-T377 HydrophobicContact CB-CG2 3.63Å; F365-T377 HydrophobicContact CD1-CG2 4.15Å; F365-T377 HydrophobicContact CG-CG2 4.22Å; F365-I378 CarbonylContact C-O 3.51Å; F365-I378 WeakPolarHBondContact CA-O 3.31Å; F365-E379 HydrophobicContact CD1-CB 3.82Å; F365-E379 HydrophobicContact CD1-CG 4.39Å; F365-E379 HydrophobicContact CE1-CB 3.7Å; F365-E379 HydrophobicContact CE1-CG 4.07Å; F365-E379 HydrophobicContact CZ-CG 4.49Å; F365-F393 CarbonylContact O-C 3.59Å; F365-F393 WeakPolarHBondContact O-CA 3.4Å; F365-L394 HydrophobicContact CB-CB 4.19Å; F365-L394 HydrophobicContact CB-CD1 4.14Å; F365-L394 HydrophobicContact CD2-CB 4.41Å; F365-L394 PolarHBondContact N-O 3.08Å; F365-L394 PolarHBondContact O-N 3.24Å; F365-V424 HydrophobicContact CD2-CG1 4.24Å; F365-V424 HydrophobicContact CE2-CG1 3.68Å; F365-V424 HydrophobicContact CZ-CG1 4.03Å
366Q91.6Very high80.9Confident28 Ų2850 Ų5013%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-95121171.9-178173.632.100109.5T377 I378 V380 D391 F393Q366-T377 CarbonylContact O-C 3.42Å; Q366-T377 VanDerWaalsContact O-CA 3.31Å; Q366-T377 WeakPolarHBondContact O-CA 3.4Å; Q366-I378 PolarHBondContact N-O 2.76Å; Q366-I378 PolarHBondContact O-N 3.44Å; Q366-V380 HydrophobicContact CB-CG1 4.11Å; Q366-V380 HydrophobicContact CB-CG2 4.49Å; Q366-D391 HydrophobicContact CG-CB 4.19Å; Q366-D391 PolarHBondContact NE2-OD2 3.4Å; Q366-F393 HydrophobicContact CB-CD1 3.97Å; Q366-F393 HydrophobicContact CB-CE1 3.57Å; Q366-F393 HydrophobicContact CB-CZ 4Å; Q366-F393 HydrophobicContact CG-CD1 4.42Å; Q366-F393 HydrophobicContact CG-CE1 3.77Å; Q366-F393 HydrophobicContact CG-CE2 4.18Å; Q366-F393 HydrophobicContact CG-CZ 3.63Å
367V90.2Very high82.5Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-98.8118.9171.4-178.60000107.8T375 T377 V392 L394 A417V367-T375 HydrophobicContact CG1-CG2 3.85Å; V367-T377 HydrophobicContact CG2-CG2 3.94Å; V367-V392 HydrophobicContact CB-CB 4.26Å; V367-V392 PolarHBondContact N-O 3.15Å; V367-V392 PolarHBondContact O-N 3.11Å; V367-L394 HydrophobicContact CG2-CD1 3.18Å; V367-A417 HydrophobicContact CB-CB 4.15Å; V367-A417 HydrophobicContact CG1-CB 4.13Å; V367-A417 HydrophobicContact CG2-CB 3.76Å
368R84Confident83.7Confident98 Ų9841.2 Ų41.237%0.3723%0.233SC..EExtended strand (participates in β ladder)trans-130.7136.1-179.5175.9-179.7-69.5171.91.6109.8T375 K376 D391R368-T375 VanDerWaalsContact O-CA 3.29Å; R368-T375 WeakPolarHBondContact O-CA 3.26Å; R368-K376 PolarHBondContact N-O 3.24Å; R368-K376 PolarHBondContact O-N 2.68Å; R368-D391 IonicContact CZ-OD2 2.82Å; R368-D391 IonicContact NE-OD1 2.73Å; R368-D391 PolarHBondContact NE-OD1 3.04Å; R368-D391 IonicContact NE-OD2 3.92Å; R368-D391 PolarHBondContact NE-OD2 3.33Å; R368-D391 IonicContact NH2-OD2 3.76Å; R368-D391 PolarHBondContact NH2-OD2 3.02Å
369G75.5Confident84.7Confident9 Ų936.7 Ų36.79%0.09320%0.202CC..  trans169-176.3174.400000112.8E413G369-E413 PolarHBondContact N-OE1 3.18Å; G369-E413 WeakPolarHBondContact O-CG 3.29Å
370S71.9Confident85.5Confident62 Ų6233 Ų3343%0.43419%0.186SC..SBendtrans-129.7-14.2167.661.90000112.7N374S370-N374 PolarHBondContact N-OD1 2.72Å; S370-N374 PolarHBondContact OG-ND2 3.43Å
371D76.8Confident85.8Confident40 Ų4033.6 Ų33.621%0.21419%0.189CC..SBendtrans-159.4168.4178.968.176.5000110.5R333 S373 N374 T375R333-D371 IonicContact NH2-OD2 2.71Å; D371-S373 PolarHBondContact O-N 2.95Å; D371-S373 VanDerWaalsContact O-N 3.09Å; D371-S373 VanDerWaalsContact OD1-CA 3.31Å; D371-S373 WeakPolarHBondContact OD1-CA 3.43Å; D371-S373 WeakPolarHBondContact OD1-CB 3.43Å; D371-S373 PolarHBondContact OD1-N 3.21Å; D371-S373 PolarHBondContact OD1-OG 2.8Å; D371-N374 PolarHBondContact N-OD1 2.61Å; D371-N374 PolarHBondContact O-N 3.12Å; D371-N374 VanDerWaalsContact O-N 3.09Å; D371-N374 PolarHBondContact O-OD1 2.85Å; D371-N374 PolarHBondContact OD1-N 3.4Å; D371-N374 PolarHBondContact OD2-ND2 2.98Å; D371-T375 WeakPolarHBondContact O-CB 3.38Å; D371-T375 PolarHBondContact O-N 2.76Å; D371-T375 PolarHBondContact O-OG1 3.04Å
372P78.1Confident86.1Confident64 Ų6430.8 Ų30.842%0.41617%0.174SC..THydrogen-bonded Turntrans-60.5-19.6-178-26.336.1000115.5K340 G341 M416K340-P372 CarbonylContact C-O 3.55Å; G341-P372 PolarHBondContact N-O 3.13Å; P372-M416 HydrophobicContact CG-SD 4.34Å
373S78.2Confident86Confident18 Ų1833.3 Ų33.313%0.12619%0.186CC..THydrogen-bonded Turntrans-82.9-14.3178.178.40000113.7R333 D371R333-S373 WeakPolarHBondContact CG-O 3.47Å; R333-S373 PolarHBondContact NE-OG 3.18Å; D371-S373 PolarHBondContact O-N 2.95Å; D371-S373 VanDerWaalsContact O-N 3.09Å; D371-S373 VanDerWaalsContact OD1-CA 3.31Å; D371-S373 WeakPolarHBondContact OD1-CA 3.43Å; D371-S373 WeakPolarHBondContact OD1-CB 3.43Å; D371-S373 PolarHBondContact OD1-N 3.21Å; D371-S373 PolarHBondContact OD1-OG 2.8Å
374N78.5Confident85.9Confident41 Ų4132.1 Ų32.122%0.21918%0.182CC..THydrogen-bonded Turntrans-131.99-178.676.1-1.4000114.3R333 M336 S370 D371R333-N374 HydrophobicContact CG-CB 4.21Å; M336-N374 HydrophobicContact CE-CB 4.35Å; S370-N374 PolarHBondContact N-OD1 2.72Å; S370-N374 PolarHBondContact OG-ND2 3.43Å; D371-N374 PolarHBondContact N-OD1 2.61Å; D371-N374 PolarHBondContact O-N 3.12Å; D371-N374 VanDerWaalsContact O-N 3.09Å; D371-N374 PolarHBondContact O-OD1 2.85Å; D371-N374 PolarHBondContact OD1-N 3.4Å; D371-N374 PolarHBondContact OD2-ND2 2.98Å
375T83.4Confident85.6Confident0 Ų036 Ų360%021%0.206CC..  trans-86.2129.3177-59.10000110.7V367 R368 D371 M416V367-T375 HydrophobicContact CG1-CG2 3.85Å; R368-T375 VanDerWaalsContact O-CA 3.29Å; R368-T375 WeakPolarHBondContact O-CA 3.26Å; D371-T375 WeakPolarHBondContact O-CB 3.38Å; D371-T375 PolarHBondContact O-N 2.76Å; D371-T375 PolarHBondContact O-OG1 3.04Å; T375-M416 HydrophobicContact CG2-CB 3.85Å; T375-M416 HydrophobicContact CG2-CG 4.09Å
376K87.5Confident85.4Confident30 Ų3037.4 Ų37.413%0.1322%0.216CC..EExtended strand (participates in β ladder)trans-135.4148.9171.462.8-179176.5-175.20111.4G329 E331 M336 R368 I378G329-K376 PolarHBondContact O-NZ 2.86Å; E331-K376 IonicContact OE2-NZ 3.67Å; E331-K376 PolarHBondContact OE2-NZ 3.03Å; M336-K376 HydrophobicContact SD-CB 3.94Å; M336-K376 HydrophobicContact SD-CD 3.76Å; M336-K376 HydrophobicContact SD-CG 4Å; R368-K376 PolarHBondContact N-O 3.24Å; R368-K376 PolarHBondContact O-N 2.68Å; K376-I378 HydrophobicContact CD-CD1 3.85Å; K376-I378 HydrophobicContact CD-CG1 4.26Å; K376-I378 HydrophobicContact CG-CD1 4.26Å; K376-I378 HydrophobicContact CG-CG1 4.27Å
377T91.8Very high85.3Confident0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-109.2123.6174.2-55.10000109.1M343 V344 I345 F365 Q366 V367 L394 V420M343-T377 WeakPolarHBondContact O-CB 3.46Å; M343-T377 PolarHBondContact O-N 3.34Å; V344-T377 CarbonylContact C-O 3.49Å; V344-T377 WeakPolarHBondContact CA-O 3.11Å; V344-T377 HydrophobicContact CG1-CG2 4.45Å; I345-T377 PolarHBondContact N-O 3.01Å; F365-T377 HydrophobicContact CB-CG2 3.63Å; F365-T377 HydrophobicContact CD1-CG2 4.15Å; F365-T377 HydrophobicContact CG-CG2 4.22Å; Q366-T377 CarbonylContact O-C 3.42Å; Q366-T377 VanDerWaalsContact O-CA 3.31Å; Q366-T377 WeakPolarHBondContact O-CA 3.4Å; V367-T377 HydrophobicContact CG2-CG2 3.94Å; T377-L394 HydrophobicContact CG2-CD1 4.28Å; T377-V420 HydrophobicContact CG2-CG1 4.03Å
378I89.6Confident85.1Confident37 Ų3737.5 Ų37.519%0.1922%0.217CC..EExtended strand (participates in β ladder)trans-123.5131-178.2-54.8-177.7000109.3I345 F365 Q366 K376I345-I378 HydrophobicContact CB-CG1 4.36Å; I345-I378 HydrophobicContact CD1-CD1 4.44Å; I345-I378 HydrophobicContact CD1-CG1 4.19Å; F365-I378 CarbonylContact C-O 3.51Å; F365-I378 WeakPolarHBondContact CA-O 3.31Å; Q366-I378 PolarHBondContact N-O 2.76Å; Q366-I378 PolarHBondContact O-N 3.44Å; K376-I378 HydrophobicContact CD-CD1 3.85Å; K376-I378 HydrophobicContact CD-CG1 4.26Å; K376-I378 HydrophobicContact CG-CD1 4.26Å; K376-I378 HydrophobicContact CG-CG1 4.27Å
379E91.4Very high85.3Confident24 Ų2433.2 Ų33.211%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-66.9131.8169.9-173.2169.7-15600110.8I345 F346 D347 R363 L364 F365I345-E379 PolarHBondContact O-N 3.07Å; F346-E379 WeakPolarHBondContact CA-OE2 3.24Å; D347-E379 HydrophobicContact CB-CB 4.19Å; D347-E379 HydrophobicContact CB-CG 4.24Å; D347-E379 PolarHBondContact N-OE2 2.88Å; D347-E379 VanDerWaalsContact N-OE2 3.12Å; R363-E379 IonicContact CZ-OE1 2.97Å; R363-E379 IonicContact CZ-OE2 3.78Å; R363-E379 IonicContact NE-OE1 2.71Å; R363-E379 PolarHBondContact NE-OE1 3.37Å; R363-E379 IonicContact NE-OE2 3.99Å; R363-E379 IonicContact NH2-OE1 3.11Å; R363-E379 PolarHBondContact NH2-OE1 2.77Å; R363-E379 VanDerWaalsContact NH2-OE1 3.1Å; R363-E379 IonicContact NH2-OE2 3.82Å; R363-E379 PolarHBondContact NH2-OE2 2.78Å; L364-E379 WeakPolarHBondContact O-CA 3.32Å; F365-E379 HydrophobicContact CD1-CB 3.82Å; F365-E379 HydrophobicContact CD1-CG 4.39Å; F365-E379 HydrophobicContact CE1-CB 3.7Å; F365-E379 HydrophobicContact CE1-CG 4.07Å; F365-E379 HydrophobicContact CZ-CG 4.49Å
380V89.8Confident85.6Confident24 Ų2433.8 Ų33.815%0.14520%0.203CC..EExtended strand (participates in β ladder)trans-127.6161.3179.5-64.90000109.2L364 Q366 A382 F393L364-V380 HydrophobicContact CB-CG2 4.08Å; L364-V380 HydrophobicContact CD2-CG2 3.77Å; L364-V380 HydrophobicContact CG-CG2 3.67Å; L364-V380 PolarHBondContact O-N 3.49Å; L364-V380 VanDerWaalsContact O-O 3.14Å; Q366-V380 HydrophobicContact CB-CG1 4.11Å; Q366-V380 HydrophobicContact CB-CG2 4.49Å; V380-A382 PolarHBondContact O-N 3.46Å; V380-F393 HydrophobicContact CG2-CD1 4.45Å; V380-F393 HydrophobicContact CG2-CE1 4.18Å
381P89.2Confident86.3Confident79 Ų7930.8 Ų30.851%0.51318%0.182SC..  trans-53.8131.5174.9-26.435.3000110.9L383 S386P381-L383 HydrophobicContact CB-CD1 4.12Å; P381-L383 HydrophobicContact CB-CG 4.27Å; P381-L383 PolarHBondContact O-N 3.47Å; P381-S386 VanDerWaalsContact O-CB 3.28Å; P381-S386 WeakPolarHBondContact O-CB 3.34Å; P381-S386 PolarHBondContact O-OG 3.03Å
382A91.8Very high87Confident29 Ų2928.9 Ų28.924%0.2417%0.172CC..SBendtrans-73.965.6-179.700000111.8V362 L364 V380 L449V362-A382 HydrophobicContact CG1-CB 4.01Å; L364-A382 HydrophobicContact CB-CB 4.04Å; V380-A382 PolarHBondContact O-N 3.46Å; A382-L449 HydrophobicContact CB-CD2 4.45Å
383L89.6Confident87.8Confident87 Ų8725.9 Ų25.946%0.45515%0.152SC..SBendtrans-129.5146.3-177.9-61.8174.1000109.5P381 T385 S386P381-L383 HydrophobicContact CB-CD1 4.12Å; P381-L383 HydrophobicContact CB-CG 4.27Å; P381-L383 PolarHBondContact O-N 3.47Å; L383-T385 PolarHBondContact O-N 3.43Å; L383-S386 WeakPolarHBondContact O-CB 3.43Å; L383-S386 PolarHBondContact O-N 3.13Å; L383-S386 PolarHBondContact O-OG 3.13Å
384A88.7Confident88.6Confident3 Ų325.1 Ų25.13%0.02515%0.147CC..G310 helixtrans-58.1-32176.200000112.9S386 L387 W446 L449 G451 A453 Y455A384-S386 PolarHBondContact O-N 3.05Å; A384-L387 WeakPolarHBondContact O-CB 3.06Å; A384-L387 PolarHBondContact O-N 2.8Å; A384-W446 HydrophobicContact CB-CE3 4.01Å; A384-W446 HydrophobicContact CB-CZ3 3.73Å; A384-L449 HydrophobicContact CB-CB 4.34Å; A384-L449 PolarHBondContact N-O 2.83Å; A384-G451 WeakPolarHBondContact CB-O 3.22Å; A384-A453 HydrophobicContact CB-CB 3.9Å; A384-Y455 WeakPolarHBondContact O-CB 3.29Å
385T88Confident89.3Confident84 Ų8423.2 Ų23.252%0.51514%0.136SC..G310 helixtrans-66.2-17.6177.251.80000113.9L383 L387 A453L383-T385 PolarHBondContact O-N 3.43Å; T385-L387 VanDerWaalsContact C-N 3.31Å; T385-A453 HydrophobicContact CG2-CB 3.77Å
386S88.4Confident89.7Confident29 Ų2924.3 Ų24.320%0.20314%0.141CC..G310 helixtrans-79.2-14.5178.1-56.60000113P381 L383 A384 F393P381-S386 VanDerWaalsContact O-CB 3.28Å; P381-S386 WeakPolarHBondContact O-CB 3.34Å; P381-S386 PolarHBondContact O-OG 3.03Å; L383-S386 WeakPolarHBondContact O-CB 3.43Å; L383-S386 PolarHBondContact O-N 3.13Å; L383-S386 PolarHBondContact O-OG 3.13Å; A384-S386 PolarHBondContact O-N 3.05Å; S386-F393 VanDerWaalsContact O-CE1 3.27Å; S386-F393 WeakPolarHBondContact O-CE1 3.23Å; S386-F393 VanDerWaalsContact O-CZ 3.29Å; S386-F393 WeakPolarHBondContact O-CZ 3.36Å
387L89Confident89.7Confident2 Ų223.2 Ų23.21%0.0114%0.137CC..  trans-66.5156.1179.9-66.3176.2000112L364 A384 T385 F393 W404 F445 W446 L449 Y455 A456L364-L387 HydrophobicContact CD2-CD2 4.47Å; A384-L387 WeakPolarHBondContact O-CB 3.06Å; A384-L387 PolarHBondContact O-N 2.8Å; T385-L387 VanDerWaalsContact C-N 3.31Å; L387-F393 HydrophobicContact CD2-CB 3.98Å; L387-F393 HydrophobicContact CD2-CD1 3.83Å; L387-F393 HydrophobicContact CD2-CD2 3.92Å; L387-F393 HydrophobicContact CD2-CE1 4.25Å; L387-F393 HydrophobicContact CD2-CE2 4.36Å; L387-F393 HydrophobicContact CD2-CG 3.64Å; L387-W404 HydrophobicContact CB-CH2 4.37Å; L387-W404 HydrophobicContact CD1-CZ2 4.36Å; L387-W404 HydrophobicContact CD2-CD2 4.23Å; L387-W404 HydrophobicContact CD2-CE3 4.06Å; L387-W404 HydrophobicContact CD2-CZ3 4.37Å; L387-F445 HydrophobicContact CD1-CE1 4.18Å; L387-F445 HydrophobicContact CD1-CZ 4.26Å; L387-W446 HydrophobicContact CD1-CH2 3.85Å; L387-W446 HydrophobicContact CD1-CZ3 3.82Å; L387-L449 HydrophobicContact CD1-CD1 4.13Å; L387-Y455 HydrophobicContact CB-CD1 4.22Å; L387-Y455 HydrophobicContact CB-CD2 4.04Å; L387-Y455 HydrophobicContact CB-CG 3.83Å; L387-Y455 HydrophobicContact CD1-CD1 4.36Å; L387-Y455 HydrophobicContact CD1-CE1 4.44Å; L387-Y455 WeakPolarHBondContact O-CB 3.46Å; L387-A456 PolarHBondContact O-N 2.93Å
388N86.4Confident89.3Confident28 Ų2831.2 Ų31.215%0.1518%0.175CC..BIsolated β-bridgetrans-146.2122.3175.9-168.3-50.7000110.3N390 D391 F393 W404 A456N388-N390 PolarHBondContact O-N 3Å; N388-N390 WeakPolarHBondContact OD1-CB 3.26Å; N388-N390 PolarHBondContact OD1-N 3.19Å; N388-N390 PolarHBondContact OD1-ND2 3.04Å; N388-D391 PolarHBondContact O-N 3.38Å; N388-D391 VanDerWaalsContact O-N 3.1Å; N388-F393 HydrophobicContact CB-CE2 4Å; N388-F393 HydrophobicContact CB-CZ 4Å; N388-F393 VanDerWaalsContact N-CZ 3.33Å; N388-W404 WeakPolarHBondContact O-CZ3 3.1Å; N388-A456 CarbonylContact C-O 3.42Å; N388-A456 VanDerWaalsContact CA-O 3.29Å; N388-A456 WeakPolarHBondContact CA-O 3.16Å; N388-A456 HydrophobicContact CB-CB 4.5Å
389S87.7Confident88.8Confident7 Ų731.7 Ų31.75%0.04918%0.181CC..THydrogen-bonded Turntrans-59.4-16.6-178.8-57.20000114G406 K407 G408 E438 A456 N457S389-G406 CarbonylContact O-C 3.56Å; S389-G406 VanDerWaalsContact O-CA 3.26Å; S389-G406 WeakPolarHBondContact O-CA 3.33Å; S389-K407 PolarHBondContact O-N 2.99Å; S389-G408 VanDerWaalsContact O-CA 3.29Å; S389-G408 WeakPolarHBondContact O-CA 3.42Å; S389-G408 PolarHBondContact O-N 3.17Å; S389-E438 WeakPolarHBondContact CB-OE2 3.29Å; S389-E438 VanDerWaalsContact OG-CD 3.24Å; S389-E438 PolarHBondContact OG-OE1 3Å; S389-E438 PolarHBondContact OG-OE2 2.78Å; S389-A456 PolarHBondContact N-O 2.98Å; S389-N457 WeakPolarHBondContact OG-CA 3.44Å; S389-N457 WeakPolarHBondContact OG-CB 3.29Å
390N81.4Confident88.6Confident21 Ų2130.6 Ų30.611%0.11218%0.177CC..THydrogen-bonded Turntrans-86.6-11.6-179.7-57.6-81.7000114.2N388 S409 D458 R460N388-N390 PolarHBondContact O-N 3Å; N388-N390 WeakPolarHBondContact OD1-CB 3.26Å; N388-N390 PolarHBondContact OD1-N 3.19Å; N388-N390 PolarHBondContact OD1-ND2 3.04Å; N390-S409 WeakPolarHBondContact O-CA 3.43Å; N390-D458 PolarHBondContact ND2-O 2.97Å; N390-D458 PolarHBondContact OD1-O 2.71Å; N390-R460 HydrophobicContact CB-CB 4.29Å; N390-R460 PolarHBondContact OD1-N 2.61Å
391D86.4Confident88.6Confident0 Ų030.2 Ų30.20%017%0.174CC..SBendtrans-123.9174.3-171.3-57.2-44.7000110.6Q366 R368 N388 F393 G406 R460Q366-D391 HydrophobicContact CG-CB 4.19Å; Q366-D391 PolarHBondContact NE2-OD2 3.4Å; R368-D391 IonicContact CZ-OD2 2.82Å; R368-D391 IonicContact NE-OD1 2.73Å; R368-D391 PolarHBondContact NE-OD1 3.04Å; R368-D391 IonicContact NE-OD2 3.92Å; R368-D391 PolarHBondContact NE-OD2 3.33Å; R368-D391 IonicContact NH2-OD2 3.76Å; R368-D391 PolarHBondContact NH2-OD2 3.02Å; N388-D391 PolarHBondContact O-N 3.38Å; N388-D391 VanDerWaalsContact O-N 3.1Å; D391-F393 HydrophobicContact CB-CE2 3.99Å; D391-G406 PolarHBondContact O-N 2.97Å; D391-R460 IonicContact OD1-CZ 3.1Å; D391-R460 IonicContact OD1-NH1 3.85Å; D391-R460 PolarHBondContact OD1-NH1 3.27Å; D391-R460 IonicContact OD1-NH2 3.79Å; D391-R460 IonicContact OD2-NH1 3.7Å
392V93.1Very high88.9Confident0 Ų026.6 Ų26.60%015%0.15CC..EExtended strand (participates in β ladder)trans-106.3144.6173.3-177.60000108.9V367 L403 W404 E413 R414 A417V367-V392 HydrophobicContact CB-CB 4.26Å; V367-V392 PolarHBondContact N-O 3.15Å; V367-V392 PolarHBondContact O-N 3.11Å; V392-L403 HydrophobicContact CG1-CD1 4Å; V392-L403 HydrophobicContact CG1-CG 4.13Å; V392-W404 CarbonylContact C-O 3.52Å; V392-W404 WeakPolarHBondContact CA-O 3.42Å; V392-W404 WeakPolarHBondContact CG1-O 3.39Å; V392-E413 HydrophobicContact CG2-CB 3.84Å; V392-R414 HydrophobicContact CG2-CB 4.48Å; V392-R414 HydrophobicContact CG2-CG 3.66Å; V392-A417 HydrophobicContact CB-CB 4.15Å; V392-A417 HydrophobicContact CG1-CB 3.5Å; V392-A417 VanDerWaalsContact CG1-CB 3.5Å
393F93.8Very high89Confident0 Ų025.4 Ų25.40%014%0.139CC..EExtended strand (participates in β ladder)trans-125.9139.3-179.8-71.7-105000112L364 F365 Q366 V380 S386 L387 N388 D391 L403 W404L364-F393 HydrophobicContact CD1-CB 4Å; L364-F393 HydrophobicContact CD1-CD1 3.96Å; L364-F393 HydrophobicContact CD1-CG 4.44Å; L364-F393 HydrophobicContact CD2-CD1 4.19Å; L364-F393 HydrophobicContact CG-CD1 4.01Å; F365-F393 CarbonylContact O-C 3.59Å; F365-F393 WeakPolarHBondContact O-CA 3.4Å; Q366-F393 HydrophobicContact CB-CD1 3.97Å; Q366-F393 HydrophobicContact CB-CE1 3.57Å; Q366-F393 HydrophobicContact CB-CZ 4Å; Q366-F393 HydrophobicContact CG-CD1 4.42Å; Q366-F393 HydrophobicContact CG-CE1 3.77Å; Q366-F393 HydrophobicContact CG-CE2 4.18Å; Q366-F393 HydrophobicContact CG-CZ 3.63Å; V380-F393 HydrophobicContact CG2-CD1 4.45Å; V380-F393 HydrophobicContact CG2-CE1 4.18Å; S386-F393 VanDerWaalsContact O-CE1 3.27Å; S386-F393 WeakPolarHBondContact O-CE1 3.23Å; S386-F393 VanDerWaalsContact O-CZ 3.29Å; S386-F393 WeakPolarHBondContact O-CZ 3.36Å; L387-F393 HydrophobicContact CD2-CB 3.98Å; L387-F393 HydrophobicContact CD2-CD1 3.83Å; L387-F393 HydrophobicContact CD2-CD2 3.92Å; L387-F393 HydrophobicContact CD2-CE1 4.25Å; L387-F393 HydrophobicContact CD2-CE2 4.36Å; L387-F393 HydrophobicContact CD2-CG 3.64Å; N388-F393 HydrophobicContact CB-CE2 4Å; N388-F393 HydrophobicContact CB-CZ 4Å; N388-F393 VanDerWaalsContact N-CZ 3.33Å; D391-F393 HydrophobicContact CB-CE2 3.99Å; F393-L403 CarbonylContact O-C 3.55Å; F393-L403 WeakPolarHBondContact O-CA 3.24Å; F393-W404 HydrophobicContact CB-CB 4.34Å; F393-W404 HydrophobicContact CB-CE3 4.28Å; F393-W404 AromaticContact CD2-CE3 3.64Å; F393-W404 HydrophobicContact CD2-CE3 3.64Å; F393-W404 AromaticContact CD2-CZ3 3.76Å; F393-W404 HydrophobicContact CD2-CZ3 3.76Å; F393-W404 HydrophobicContact CE2-CE3 4.44Å; F393-W404 HydrophobicContact CE2-CZ3 4.11Å; F393-W404 HydrophobicContact CG-CE3 4.32Å; F393-W404 PolarHBondContact N-O 2.95Å; F393-W404 PolarHBondContact O-N 3.07Å
394L94.1Very high89.3Confident2 Ų221.3 Ų21.31%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-104.7118.8167.7-56.795.3000109.9L364 F365 V367 T377 Y402 L403 A417 S421L364-L394 CarbonylContact C-O 3.53Å; L364-L394 WeakPolarHBondContact CA-O 3.44Å; F365-L394 HydrophobicContact CB-CB 4.19Å; F365-L394 HydrophobicContact CB-CD1 4.14Å; F365-L394 HydrophobicContact CD2-CB 4.41Å; F365-L394 PolarHBondContact N-O 3.08Å; F365-L394 PolarHBondContact O-N 3.24Å; V367-L394 HydrophobicContact CG2-CD1 3.18Å; T377-L394 HydrophobicContact CG2-CD1 4.28Å; L394-Y402 CarbonylContact C-O 3.59Å; L394-Y402 WeakPolarHBondContact CA-O 3.31Å; L394-L403 HydrophobicContact CD2-CD1 4.14Å; L394-L403 HydrophobicContact CG-CD1 3.75Å; L394-A417 HydrophobicContact CD1-CB 4.4Å; L394-S421 VanDerWaalsContact CD2-CB 3.4Å
395L93.8Very high89.6Confident1 Ų121.7 Ų21.71%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-103.6104.2171.4178.362.4000108.7V362 R363 L364 I401 Y402 F445 L448 L449V362-L395 HydrophobicContact CG1-CD1 3.4Å; V362-L395 HydrophobicContact CG1-CG 4.44Å; R363-L395 CarbonylContact O-C 3.57Å; R363-L395 WeakPolarHBondContact O-CA 3.44Å; L364-L395 HydrophobicContact CB-CD1 4.36Å; L364-L395 HydrophobicContact CD1-CB 4.05Å; L364-L395 HydrophobicContact CD1-CD1 4.22Å; L395-I401 WeakPolarHBondContact O-CA 3.33Å; L395-Y402 HydrophobicContact CD2-CD2 4.22Å; L395-Y402 PolarHBondContact N-O 2.72Å; L395-Y402 PolarHBondContact O-N 2.91Å; L395-F445 HydrophobicContact CB-CE2 4.25Å; L395-F445 HydrophobicContact CD2-CD2 3.64Å; L395-F445 HydrophobicContact CD2-CE2 3.73Å; L395-F445 HydrophobicContact CD2-CG 4.36Å; L395-L448 HydrophobicContact CD2-CB 3.92Å; L395-L448 HydrophobicContact CD2-CD1 4.07Å; L395-L449 HydrophobicContact CD1-CD2 3.73Å; L395-L449 HydrophobicContact CD1-CG 4.48Å; L395-L449 HydrophobicContact CD2-CD1 4.46Å; L395-L449 HydrophobicContact CD2-CD2 4.13Å; L395-L449 HydrophobicContact CD2-CG 3.99Å
396K91.3Very high89.7Confident23 Ų2317.7 Ų17.710%0.110%0.096CC..EExtended strand (participates in β ladder)trans-91133.5175.2177.7-176.2170.7-169.50109.3E359 V362 R363 I401 V424E359-K396 IonicContact OE1-NZ 2.68Å; E359-K396 PolarHBondContact OE1-NZ 2.65Å; E359-K396 IonicContact OE2-NZ 2.78Å; E359-K396 PolarHBondContact OE2-NZ 3.07Å; V362-K396 CarbonylContact C-O 3.58Å; V362-K396 VanDerWaalsContact CA-O 3.31Å; V362-K396 WeakPolarHBondContact CA-O 3.43Å; R363-K396 HydrophobicContact CB-CB 4.5Å; R363-K396 PolarHBondContact N-O 2.79Å; R363-K396 PolarHBondContact O-N 3.16Å; K396-I401 HydrophobicContact CB-CG1 4.4Å; K396-I401 HydrophobicContact CG-CG1 4.36Å; K396-V424 HydrophobicContact CD-CG1 4.03Å; K396-V424 PolarHBondContact NZ-O 3.07Å
397S88.7Confident89.7Confident7 Ų723.5 Ų23.55%0.04912%0.117CC..EExtended strand (participates in β ladder)trans-137.7-179171.7710000110.6P361 S399 G400P361-S397 WeakPolarHBondContact O-CA 3.38Å; S397-S399 VanDerWaalsContact C-N 3.27Å; S397-S399 PolarHBondContact O-N 2.71Å; S397-S399 PolarHBondContact OG-N 3.35Å; S397-S399 PolarHBondContact OG-OG 3.35Å; S397-G400 PolarHBondContact N-O 2.79Å; S397-G400 PolarHBondContact OG-N 2.6Å; S397-G400 PolarHBondContact OG-O 2.76Å; S397-G400 VanDerWaalsContact OG-O 3.06Å
398Q83Confident89.3Confident169 Ų16925.7 Ų25.779%0.7914%0.14SC*.SBendtrans-67.7-25171.9-63-179.110.700113.4
399S79.5Confident89.1Confident46 Ų4624.8 Ų24.832%0.32214%0.136SC..SBendtrans-86.4-26.8-177.855.30000113.2S397 F432 E444S397-S399 VanDerWaalsContact C-N 3.27Å; S397-S399 PolarHBondContact O-N 2.71Å; S397-S399 PolarHBondContact OG-N 3.35Å; S397-S399 PolarHBondContact OG-OG 3.35Å; S399-F432 VanDerWaalsContact O-CD1 3.26Å; S399-F432 WeakPolarHBondContact O-CD1 3.41Å; S399-F432 WeakPolarHBondContact O-CE1 3.39Å; S399-E444 PolarHBondContact OG-OE1 3.16Å
400G86.9Confident88.8Confident2 Ų226.1 Ų26.12%0.02115%0.146CC..EExtended strand (participates in β ladder)trans165.3-168.7-177.400000113.3S397 F432S397-G400 PolarHBondContact N-O 2.79Å; S397-G400 PolarHBondContact OG-N 2.6Å; S397-G400 PolarHBondContact OG-O 2.76Å; S397-G400 VanDerWaalsContact OG-O 3.06Å; G400-F432 CarbonylContact C-O 3.51Å; G400-F432 VanDerWaalsContact CA-O 3.27Å; G400-F432 WeakPolarHBondContact CA-O 3.41Å
401I90.7Very high88.8Confident15 Ų1527.8 Ų27.88%0.07717%0.168CC..EExtended strand (participates in β ladder)trans-121.3127.3179.8-59.6175.6000109.1L395 K396 F432 E433 E434L395-I401 WeakPolarHBondContact O-CA 3.33Å; K396-I401 HydrophobicContact CB-CG1 4.4Å; K396-I401 HydrophobicContact CG-CG1 4.36Å; I401-F432 PolarHBondContact N-O 2.77Å; I401-E433 WeakPolarHBondContact O-CA 3.31Å; I401-E434 PolarHBondContact O-N 3.01Å
402Y93.6Very high88.4Confident3 Ų332.2 Ų32.21%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-100.6131.2168.1-62.4-85.2000110.5L394 L395 F432 E434 V436 P442 E444 F445 L448L394-Y402 CarbonylContact C-O 3.59Å; L394-Y402 WeakPolarHBondContact CA-O 3.31Å; L395-Y402 HydrophobicContact CD2-CD2 4.22Å; L395-Y402 PolarHBondContact N-O 2.72Å; L395-Y402 PolarHBondContact O-N 2.91Å; Y402-F432 HydrophobicContact CD1-CE2 4.4Å; Y402-F432 AromaticContact CE1-CE2 3.78Å; Y402-F432 HydrophobicContact CE1-CE2 3.78Å; Y402-F432 HydrophobicContact CE1-CZ 4.1Å; Y402-F432 HydrophobicContact CE2-CE2 4.48Å; Y402-F432 HydrophobicContact CE2-CZ 4.19Å; Y402-F432 AromaticContact CZ-CE2 3.84Å; Y402-F432 AromaticContact CZ-CZ 3.66Å; Y402-F432 WeakPolarHBondContact OH-CZ 3.48Å; Y402-E434 CarbonylContact C-O 3.48Å; Y402-E434 WeakPolarHBondContact CA-O 3.26Å; Y402-E434 HydrophobicContact CD1-CB 3.95Å; Y402-E434 HydrophobicContact CD1-CG 4.37Å; Y402-E434 HydrophobicContact CE1-CB 4.21Å; Y402-E434 WeakPolarHBondContact CE1-OE2 3.43Å; Y402-V436 HydrophobicContact CD1-CG2 3.7Å; Y402-V436 HydrophobicContact CE1-CG2 4.49Å; Y402-P442 HydrophobicContact CE1-CG 3.84Å; Y402-E444 PolarHBondContact OH-OE2 2.66Å; Y402-F445 HydrophobicContact CD1-CD2 4.38Å; Y402-F445 HydrophobicContact CD2-CD2 4.17Å; Y402-F445 AromaticContact CG-CD2 3.89Å; Y402-F445 HydrophobicContact CG-CD2 3.89Å; Y402-L448 HydrophobicContact CD2-CD1 4.17Å; Y402-L448 HydrophobicContact CE2-CD1 3.67Å
403L94.6Very high87.9Confident4 Ų432.4 Ų32.42%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-101.889.4171.9-165.171.8000109.2V392 F393 L394 A417 K418 E434 I435 V436V392-L403 HydrophobicContact CG1-CD1 4Å; V392-L403 HydrophobicContact CG1-CG 4.13Å; F393-L403 CarbonylContact O-C 3.55Å; F393-L403 WeakPolarHBondContact O-CA 3.24Å; L394-L403 HydrophobicContact CD2-CD1 4.14Å; L394-L403 HydrophobicContact CG-CD1 3.75Å; L403-A417 HydrophobicContact CD1-CB 3.54Å; L403-A417 HydrophobicContact CD2-CB 4.49Å; L403-A417 HydrophobicContact CG-CB 4.44Å; L403-K418 HydrophobicContact CD2-CD 4.5Å; L403-E434 PolarHBondContact N-O 3.11Å; L403-I435 HydrophobicContact CB-CG1 4.26Å; L403-I435 HydrophobicContact CD2-CG1 4.13Å; L403-V436 PolarHBondContact O-N 2.93Å
404W95.8Very high87.6Confident1 Ų137.3 Ų37.30%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-81120.5-179.3-176.291.9000110.9L387 N388 V392 F393 V436 E438 E441 F445 Y455L387-W404 HydrophobicContact CB-CH2 4.37Å; L387-W404 HydrophobicContact CD1-CZ2 4.36Å; L387-W404 HydrophobicContact CD2-CD2 4.23Å; L387-W404 HydrophobicContact CD2-CE3 4.06Å; L387-W404 HydrophobicContact CD2-CZ3 4.37Å; N388-W404 WeakPolarHBondContact O-CZ3 3.1Å; V392-W404 CarbonylContact C-O 3.52Å; V392-W404 WeakPolarHBondContact CA-O 3.42Å; V392-W404 WeakPolarHBondContact CG1-O 3.39Å; F393-W404 HydrophobicContact CB-CB 4.34Å; F393-W404 HydrophobicContact CB-CE3 4.28Å; F393-W404 AromaticContact CD2-CE3 3.64Å; F393-W404 HydrophobicContact CD2-CE3 3.64Å; F393-W404 AromaticContact CD2-CZ3 3.76Å; F393-W404 HydrophobicContact CD2-CZ3 3.76Å; F393-W404 HydrophobicContact CE2-CE3 4.44Å; F393-W404 HydrophobicContact CE2-CZ3 4.11Å; F393-W404 HydrophobicContact CG-CE3 4.32Å; F393-W404 PolarHBondContact N-O 2.95Å; F393-W404 PolarHBondContact O-N 3.07Å; W404-V436 CarbonylContact C-O 3.59Å; W404-V436 WeakPolarHBondContact CA-O 3.35Å; W404-E438 HydrophobicContact CH2-CB 4.24Å; W404-E438 HydrophobicContact CH2-CG 4.3Å; W404-E438 HydrophobicContact CZ2-CB 3.57Å; W404-E438 HydrophobicContact CZ2-CG 3.64Å; W404-E441 PolarHBondContact NE1-OE1 3.34Å; W404-F445 HydrophobicContact CB-CE2 3.94Å; W404-F445 HydrophobicContact CB-CZ 3.91Å; W404-F445 AromaticContact CD1-CE1 3.99Å; W404-F445 AromaticContact CD1-CZ 3.58Å; W404-F445 HydrophobicContact CG-CE2 4.32Å; W404-F445 AromaticContact CG-CZ 3.83Å; W404-F445 HydrophobicContact CG-CZ 3.83Å; W404-Y455 HydrophobicContact CH2-CE2 4.11Å; W404-Y455 HydrophobicContact CZ2-CE2 4.14Å
405C95.2Very high87.2Confident11 Ų1139.7 Ų39.77%0.07423%0.23CC..EExtended strand (participates in β ladder)trans-106.1106.5-177.4-62.50000110.3V436 E438C405-V436 PolarHBondContact N-O 3.15Å; C405-E438 PolarHBondContact O-N 2.88Å
406G89.6Confident86.7Confident0 Ų040.5 Ų40.50%023%0.234CC..  trans-60.5149.217200000111.9S389 D391 G408 S409 E438S389-G406 CarbonylContact O-C 3.56Å; S389-G406 VanDerWaalsContact O-CA 3.26Å; S389-G406 WeakPolarHBondContact O-CA 3.33Å; D391-G406 PolarHBondContact O-N 2.97Å; G406-G408 PolarHBondContact O-N 3.34Å; G406-S409 WeakPolarHBondContact O-CB 3.31Å; G406-S409 PolarHBondContact O-N 3.04Å; G406-S409 VanDerWaalsContact O-N 3.07Å; G406-S409 PolarHBondContact O-OG 3.37Å; G406-E438 WeakPolarHBondContact CA-OE2 3.47Å
407K89.8Confident86.6Confident152 Ų15239.4 Ų39.466%0.66123%0.229SC*.THydrogen-bonded Turntrans-60.5-29.4-179.2-77.5167-174163.80113.6S389 E438S389-K407 PolarHBondContact O-N 2.99Å; K407-E438 WeakPolarHBondContact CB-OE2 3.5Å; K407-E438 HydrophobicContact CD-CG 4.2Å; K407-E438 WeakPolarHBondContact CE-O 3.42Å; K407-E438 HydrophobicContact CG-CB 4.11Å; K407-E438 HydrophobicContact CG-CG 4.21Å; K407-E438 WeakPolarHBondContact CG-OE2 3.48Å; K407-E438 PolarHBondContact N-OE2 3.03Å
408G80.8Confident86.5Confident47 Ų4743.3 Ų43.349%0.48525%0.246SC..THydrogen-bonded Turntrans-90.4-5.8177.100000114.8S389 G406S389-G408 VanDerWaalsContact O-CA 3.29Å; S389-G408 WeakPolarHBondContact O-CA 3.42Å; S389-G408 PolarHBondContact O-N 3.17Å; G406-G408 PolarHBondContact O-N 3.34Å
409S82.4Confident86.6Confident9 Ų939.2 Ų39.26%0.06323%0.226CC..  trans-64.3141.6177.5630000112.5N390 G406 R414N390-S409 WeakPolarHBondContact O-CA 3.43Å; G406-S409 WeakPolarHBondContact O-CB 3.31Å; G406-S409 PolarHBondContact O-N 3.04Å; G406-S409 VanDerWaalsContact O-N 3.07Å; G406-S409 PolarHBondContact O-OG 3.37Å; S409-R414 PolarHBondContact O-NH2 3.03Å; S409-R414 VanDerWaalsContact O-NH2 3.16Å; S409-R414 PolarHBondContact OG-NE 2.68Å; S409-R414 PolarHBondContact OG-NH2 3.09Å; S409-R414 VanDerWaalsContact OG-NH2 3.08Å
410S81Confident86.9Confident36 Ų3637.1 Ų37.125%0.25221%0.212SC..  trans-78163.4176.967.20000112.7D412 E413 R414S410-D412 VanDerWaalsContact C-N 3.31Å; S410-E413 WeakPolarHBondContact CB-OE2 3.49Å; S410-E413 PolarHBondContact N-OE2 2.78Å; S410-E413 WeakPolarHBondContact OG-CB 3.23Å; S410-E413 VanDerWaalsContact OG-CG 3.23Å; S410-E413 WeakPolarHBondContact OG-CG 3.39Å; S410-E413 PolarHBondContact OG-N 3.01Å; S410-E413 VanDerWaalsContact OG-N 3.17Å; S410-E413 PolarHBondContact OG-OE2 3.21Å; S410-R414 WeakPolarHBondContact O-CG 3.26Å; S410-R414 PolarHBondContact O-N 2.92Å
411G80.8Confident86.8Confident56 Ų5637.1 Ų37.158%0.57721%0.211SC*.Hα-helixtrans-64.6-3717400000112.5R414 A415G411-R414 PolarHBondContact O-N 2.87Å; G411-A415 PolarHBondContact O-N 3.45Å
412D78.3Confident86.2Confident92 Ų9239.9 Ų39.949%0.49223%0.232SC..Hα-helixtrans-67.8-42.5179.9-61.7-46.9000111.6S410 R414 A415 M416S410-D412 VanDerWaalsContact C-N 3.31Å; D412-R414 VanDerWaalsContact C-N 3.29Å; D412-R414 PolarHBondContact O-N 2.93Å; D412-A415 PolarHBondContact O-N 2.98Å; D412-M416 WeakPolarHBondContact O-CG 3.38Å; D412-M416 PolarHBondContact O-N 2.85Å
413E81.4Confident85.3Confident4 Ų442 Ų422%0.01925%0.245CC..Hα-helixtrans-58.3-41173.5-76.6165.5134.400112G369 V392 S410 M416 A417G369-E413 PolarHBondContact N-OE1 3.18Å; G369-E413 WeakPolarHBondContact O-CG 3.29Å; V392-E413 HydrophobicContact CG2-CB 3.84Å; S410-E413 WeakPolarHBondContact CB-OE2 3.49Å; S410-E413 PolarHBondContact N-OE2 2.78Å; S410-E413 WeakPolarHBondContact OG-CB 3.23Å; S410-E413 VanDerWaalsContact OG-CG 3.23Å; S410-E413 WeakPolarHBondContact OG-CG 3.39Å; S410-E413 PolarHBondContact OG-N 3.01Å; S410-E413 VanDerWaalsContact OG-N 3.17Å; S410-E413 PolarHBondContact OG-OE2 3.21Å; E413-M416 PolarHBondContact O-N 2.75Å; E413-A417 VanDerWaalsContact O-CB 3.22Å; E413-A417 WeakPolarHBondContact O-CB 3.41Å; E413-A417 PolarHBondContact O-N 2.81Å
414R88.1Confident84.4Confident104 Ų10442.4 Ų42.439%0.39225%0.248SC..Hα-helixtrans-68-40.1178.8-65173.6-163.6-174.47.9112V392 S409 S410 G411 D412 K418V392-R414 HydrophobicContact CG2-CB 4.48Å; V392-R414 HydrophobicContact CG2-CG 3.66Å; S409-R414 PolarHBondContact O-NH2 3.03Å; S409-R414 VanDerWaalsContact O-NH2 3.16Å; S409-R414 PolarHBondContact OG-NE 2.68Å; S409-R414 PolarHBondContact OG-NH2 3.09Å; S409-R414 VanDerWaalsContact OG-NH2 3.08Å; S410-R414 WeakPolarHBondContact O-CG 3.26Å; S410-R414 PolarHBondContact O-N 2.92Å; G411-R414 PolarHBondContact O-N 2.87Å; D412-R414 VanDerWaalsContact C-N 3.29Å; D412-R414 PolarHBondContact O-N 2.93Å; R414-K418 PolarHBondContact O-N 3.23Å; R414-K418 VanDerWaalsContact O-N 3.16Å
415A86.3Confident83.2Confident51 Ų5143.1 Ų43.142%0.42126%0.255SS..Hα-helixtrans-64-44.4176.200000111.1G411 D412 K418 E419G411-A415 PolarHBondContact O-N 3.45Å; D412-A415 PolarHBondContact O-N 2.98Å; A415-K418 WeakPolarHBondContact O-CB 3.38Å; A415-K418 PolarHBondContact O-N 2.78Å; A415-E419 PolarHBondContact O-N 3.09Å
416M84Confident81.4Confident18 Ų1849 Ų499%0.08929%0.285CS..Hα-helixtrans-67.3-40.7177.1-65.8-60.991.100112.4P372 T375 D412 E413 K418 E419 V420P372-M416 HydrophobicContact CG-SD 4.34Å; T375-M416 HydrophobicContact CG2-CB 3.85Å; T375-M416 HydrophobicContact CG2-CG 4.09Å; D412-M416 WeakPolarHBondContact O-CG 3.38Å; D412-M416 PolarHBondContact O-N 2.85Å; E413-M416 PolarHBondContact O-N 2.75Å; M416-K418 PolarHBondContact O-N 2.81Å; M416-E419 HydrophobicContact CE-CG 4.24Å; M416-E419 WeakPolarHBondContact CE-OE1 2.95Å; M416-E419 PolarHBondContact O-N 3.13Å; M416-V420 WeakPolarHBondContact O-CG2 3.43Å; M416-V420 PolarHBondContact O-N 2.97Å
417A87.9Confident79.6Confident0 Ų052.6 Ų52.60%032%0.322CS..Hα-helixtrans-59.3-34.1175.800000112V367 V392 L394 L403 E413 V420 S421V367-A417 HydrophobicContact CB-CB 4.15Å; V367-A417 HydrophobicContact CG1-CB 4.13Å; V367-A417 HydrophobicContact CG2-CB 3.76Å; V392-A417 HydrophobicContact CB-CB 4.15Å; V392-A417 HydrophobicContact CG1-CB 3.5Å; V392-A417 VanDerWaalsContact CG1-CB 3.5Å; L394-A417 HydrophobicContact CD1-CB 4.4Å; L403-A417 HydrophobicContact CD1-CB 3.54Å; L403-A417 HydrophobicContact CD2-CB 4.49Å; L403-A417 HydrophobicContact CG-CB 4.44Å; E413-A417 VanDerWaalsContact O-CB 3.22Å; E413-A417 WeakPolarHBondContact O-CB 3.41Å; E413-A417 PolarHBondContact O-N 2.81Å; A417-V420 PolarHBondContact O-N 3.24Å; A417-S421 WeakPolarHBondContact O-CB 3.43Å; A417-S421 PolarHBondContact O-N 2.89Å
418K87.7Confident77.9Confident90 Ų9047.5 Ų47.539%0.39131%0.306SS..Hα-helixtrans-68-37173-167.578.9174.4-1790113.1L403 R414 A415 M416 S421 S422 E433L403-K418 HydrophobicContact CD2-CD 4.5Å; R414-K418 PolarHBondContact O-N 3.23Å; R414-K418 VanDerWaalsContact O-N 3.16Å; A415-K418 WeakPolarHBondContact O-CB 3.38Å; A415-K418 PolarHBondContact O-N 2.78Å; M416-K418 PolarHBondContact O-N 2.81Å; K418-S421 PolarHBondContact O-OG 2.98Å; K418-S422 PolarHBondContact O-OG 3.08Å; K418-E433 WeakPolarHBondContact CD-OE1 3.49Å; K418-E433 WeakPolarHBondContact CE-OE1 3.43Å; K418-E433 IonicContact NZ-OE1 3.68Å; K418-E433 PolarHBondContact NZ-OE1 2.8Å
419E84.6Confident76.5Confident82 Ų8254.5 Ų54.538%0.38333%0.326SS..Hα-helixtrans-68.8-41.4174.7-68.3-164.7-168.500111.3K342 A415 M416 S422K342-E419 WeakPolarHBondContact CE-OE2 3.31Å; K342-E419 IonicContact NZ-OE2 2.96Å; K342-E419 PolarHBondContact NZ-OE2 2.81Å; A415-E419 PolarHBondContact O-N 3.09Å; M416-E419 HydrophobicContact CE-CG 4.24Å; M416-E419 WeakPolarHBondContact CE-OE1 2.95Å; M416-E419 PolarHBondContact O-N 3.13Å; E419-S422 WeakPolarHBondContact O-CB 3.36Å; E419-S422 PolarHBondContact O-N 3.16Å
420V84.6Confident75.1Confident3 Ų363.9 Ų63.92%0.01837%0.366CS..Hα-helixtrans-70.2-36.3179.1176.10000111.8V344 T377 M416 A417 S422 V423 V424V344-V420 HydrophobicContact CG2-CG1 3.72Å; T377-V420 HydrophobicContact CG2-CG1 4.03Å; M416-V420 WeakPolarHBondContact O-CG2 3.43Å; M416-V420 PolarHBondContact O-N 2.97Å; A417-V420 PolarHBondContact O-N 3.24Å; V420-S422 PolarHBondContact O-N 3.31Å; V420-V423 PolarHBondContact O-N 3.3Å; V420-V424 HydrophobicContact CG1-CG2 3.7Å; V420-V424 WeakPolarHBondContact O-CG2 3.39Å; V420-V424 PolarHBondContact O-N 2.62Å
421S85.8Confident74.1Confident1 Ų164 Ų641%0.00737%0.372CS..Hα-helixtrans-57.5-38.6176.272.40000111.8L394 A417 K418 V423 G425 E433L394-S421 VanDerWaalsContact CD2-CB 3.4Å; A417-S421 WeakPolarHBondContact O-CB 3.43Å; A417-S421 PolarHBondContact O-N 2.89Å; K418-S421 PolarHBondContact O-OG 2.98Å; S421-V423 PolarHBondContact O-N 3.29Å; S421-G425 PolarHBondContact O-N 3.08Å; S421-E433 WeakPolarHBondContact CB-OE2 3.2Å; S421-E433 PolarHBondContact OG-OE2 2.84Å
422S78.6Confident73.9Confident73 Ų7365.3 Ų65.351%0.5136%0.363SS..Hα-helixtrans-63.2-29.4178.4-59.70000112.4K418 E419 V420 L426K418-S422 PolarHBondContact O-OG 3.08Å; E419-S422 WeakPolarHBondContact O-CB 3.36Å; E419-S422 PolarHBondContact O-N 3.16Å; V420-S422 PolarHBondContact O-N 3.31Å; S422-L426 WeakPolarHBondContact O-CG 3.26Å
423V74.5Confident74.3Confident47 Ų4764.5 Ų64.529%0.28536%0.356SS..Hα-helixtrans-92.7-44.7179.8-171.10000112.4Y267 V420 S421 G425 L426Y267-V423 HydrophobicContact CE1-CG1 3.88Å; Y267-V423 HydrophobicContact CE2-CG1 4.28Å; Y267-V423 VanDerWaalsContact CZ-CG1 3.41Å; Y267-V423 WeakPolarHBondContact OH-CB 3.36Å; Y267-V423 WeakPolarHBondContact OH-CG1 3.32Å; V420-V423 PolarHBondContact O-N 3.3Å; S421-V423 PolarHBondContact O-N 3.29Å; V423-G425 PolarHBondContact O-N 3.39Å; V423-L426 HydrophobicContact CG1-CD1 3.99Å; V423-L426 WeakPolarHBondContact O-CB 3.18Å; V423-L426 PolarHBondContact O-N 2.92Å; V423-L426 VanDerWaalsContact O-N 3.08Å
424V76Confident74.7Confident14 Ų1468.2 Ų68.29%0.08537%0.373CS..Hα-helixtrans-64.6-24.7177.3174.70000111.5V344 F365 K396 V420V344-V424 HydrophobicContact CG1-CG2 4.42Å; V344-V424 HydrophobicContact CG2-CG2 4.43Å; F365-V424 HydrophobicContact CD2-CG1 4.24Å; F365-V424 HydrophobicContact CE2-CG1 3.68Å; F365-V424 HydrophobicContact CZ-CG1 4.03Å; K396-V424 HydrophobicContact CD-CG1 4.03Å; K396-V424 PolarHBondContact NZ-O 3.07Å; V420-V424 HydrophobicContact CG1-CG2 3.7Å; V420-V424 WeakPolarHBondContact O-CG2 3.39Å; V420-V424 PolarHBondContact O-N 2.62Å
425G68.9Low74.9Confident15 Ų1568 Ų6816%0.15538%0.379CS..THydrogen-bonded Turntrans-83.9-6.717400000116.1S421 V423 G427 S428S421-G425 PolarHBondContact O-N 3.08Å; V423-G425 PolarHBondContact O-N 3.39Å; G425-G427 PolarHBondContact O-N 3.27Å; G425-G427 VanDerWaalsContact O-N 3.09Å; G425-S428 PolarHBondContact O-N 3.3Å
426L57.7Low75.3Confident134 Ų13465.8 Ų65.870%0.70236%0.36SS*.THydrogen-bonded Turntrans-62.5113.4176.5-69.2172.3000109.6S422 V423S422-L426 WeakPolarHBondContact O-CG 3.26Å; V423-L426 HydrophobicContact CG1-CD1 3.99Å; V423-L426 WeakPolarHBondContact O-CB 3.18Å; V423-L426 PolarHBondContact O-N 2.92Å; V423-L426 VanDerWaalsContact O-N 3.08Å
427G51.8Low75.9Confident76 Ų7667 Ų6778%0.78437%0.373SS*.THydrogen-bonded Turntrans118.6-13.8-174.500000114.2G425 E429G425-G427 PolarHBondContact O-N 3.27Å; G425-G427 VanDerWaalsContact O-N 3.09Å; G427-E429 PolarHBondContact O-N 2.79Å
428S54.3Low76.2Confident46 Ų4668 Ų6832%0.32238%0.378SS..  trans-93.574.2170.3-63.90000110.2G425 K430 G431G425-S428 PolarHBondContact O-N 3.3Å; S428-K430 PolarHBondContact O-N 3.5Å; S428-G431 PolarHBondContact O-N 3Å
429E51.3Low76.5Confident193 Ų19366.4 Ų66.490%0.90239%0.386SS*.THydrogen-bonded Turntrans-61.51.6-177.9-67.9-171.815700114.9G427G427-E429 PolarHBondContact O-N 2.79Å
430K53.5Low77.1Confident206 Ų20669.9 Ų69.990%0.89640%0.403SS*.THydrogen-bonded Turntrans-140.57.9-175.5-69-173.8179175.90116.2S428S428-K430 PolarHBondContact O-N 3.5Å
431G59.5Low77.6Confident38 Ų3870.9 Ų70.939%0.39241%0.407SS..  trans-85141.8-175.200000113.8S428S428-G431 PolarHBondContact O-N 3Å
432F76.8Confident78.1Confident85 Ų8572.7 Ų72.737%0.37342%0.419SS..EExtended strand (participates in β ladder)trans-79152.6165.567.6-85.3000110.3S399 G400 I401 Y402 E434S399-F432 VanDerWaalsContact O-CD1 3.26Å; S399-F432 WeakPolarHBondContact O-CD1 3.41Å; S399-F432 WeakPolarHBondContact O-CE1 3.39Å; G400-F432 CarbonylContact C-O 3.51Å; G400-F432 VanDerWaalsContact CA-O 3.27Å; G400-F432 WeakPolarHBondContact CA-O 3.41Å; I401-F432 PolarHBondContact N-O 2.77Å; Y402-F432 HydrophobicContact CD1-CE2 4.4Å; Y402-F432 AromaticContact CE1-CE2 3.78Å; Y402-F432 HydrophobicContact CE1-CE2 3.78Å; Y402-F432 HydrophobicContact CE1-CZ 4.1Å; Y402-F432 HydrophobicContact CE2-CE2 4.48Å; Y402-F432 HydrophobicContact CE2-CZ 4.19Å; Y402-F432 AromaticContact CZ-CE2 3.84Å; Y402-F432 AromaticContact CZ-CZ 3.66Å; Y402-F432 WeakPolarHBondContact OH-CZ 3.48Å; F432-E434 HydrophobicContact CD2-CB 3.89Å; F432-E434 HydrophobicContact CE2-CB 3.87Å
433E86.3Confident78.8Confident75 Ų7574.3 Ų74.335%0.3543%0.426SS..EExtended strand (participates in β ladder)trans-114.7116.5170.1-170-173.596.500108.9I401 K418 S421I401-E433 WeakPolarHBondContact O-CA 3.31Å; K418-E433 WeakPolarHBondContact CD-OE1 3.49Å; K418-E433 WeakPolarHBondContact CE-OE1 3.43Å; K418-E433 IonicContact NZ-OE1 3.68Å; K418-E433 PolarHBondContact NZ-OE1 2.8Å; S421-E433 WeakPolarHBondContact CB-OE2 3.2Å; S421-E433 PolarHBondContact OG-OE2 2.84Å
434E90.1Very high79.7Confident82 Ų8276 Ų7638%0.38343%0.43SS..EExtended strand (participates in β ladder)trans-118.2128.4-178.1-176.7173.5-178.600111.4I401 Y402 L403 F432 V436I401-E434 PolarHBondContact O-N 3.01Å; Y402-E434 CarbonylContact C-O 3.48Å; Y402-E434 WeakPolarHBondContact CA-O 3.26Å; Y402-E434 HydrophobicContact CD1-CB 3.95Å; Y402-E434 HydrophobicContact CD1-CG 4.37Å; Y402-E434 HydrophobicContact CE1-CB 4.21Å; Y402-E434 WeakPolarHBondContact CE1-OE2 3.43Å; L403-E434 PolarHBondContact N-O 3.11Å; F432-E434 HydrophobicContact CD2-CB 3.89Å; F432-E434 HydrophobicContact CE2-CB 3.87Å; E434-V436 HydrophobicContact CG-CG2 4.09Å
435I93.1Very high80.6Confident100 Ų10075.4 Ų75.451%0.51343%0.426SS..EExtended strand (participates in β ladder)trans-88.6122.9173.9-58.7174.3000108.5L403L403-I435 HydrophobicContact CB-CG1 4.26Å; L403-I435 HydrophobicContact CD2-CG1 4.13Å
436V94.9Very high81.9Confident4 Ų475.8 Ų75.82%0.02442%0.423CS..EExtended strand (participates in β ladder)trans-117.2120.9-175.8-178.80000109.3Y402 L403 W404 C405 E434 E441Y402-V436 HydrophobicContact CD1-CG2 3.7Å; Y402-V436 HydrophobicContact CE1-CG2 4.49Å; L403-V436 PolarHBondContact O-N 2.93Å; W404-V436 CarbonylContact C-O 3.59Å; W404-V436 WeakPolarHBondContact CA-O 3.35Å; C405-V436 PolarHBondContact N-O 3.15Å; E434-V436 HydrophobicContact CG-CG2 4.09Å; V436-E441 HydrophobicContact CG1-CB 4.04Å; V436-E441 HydrophobicContact CG1-CG 3.78Å
437A95.8Very high83.7Confident43 Ų4376 Ų7636%0.35542%0.42SS..EExtended strand (participates in β ladder)trans-81.4142.6172.500000110.7G439 Q440A437-G439 PolarHBondContact O-N 2.8Å; A437-Q440 PolarHBondContact O-N 3.24Å
438E95.3Very high85.7Confident21 Ų2174.3 Ų74.310%0.09839%0.394CS..THydrogen-bonded Turntrans-54.4124.8174.8171.6-177.5175.700111.9S389 W404 C405 G406 K407 E441 Y455S389-E438 WeakPolarHBondContact CB-OE2 3.29Å; S389-E438 VanDerWaalsContact OG-CD 3.24Å; S389-E438 PolarHBondContact OG-OE1 3Å; S389-E438 PolarHBondContact OG-OE2 2.78Å; W404-E438 HydrophobicContact CH2-CB 4.24Å; W404-E438 HydrophobicContact CH2-CG 4.3Å; W404-E438 HydrophobicContact CZ2-CB 3.57Å; W404-E438 HydrophobicContact CZ2-CG 3.64Å; C405-E438 PolarHBondContact O-N 2.88Å; G406-E438 WeakPolarHBondContact CA-OE2 3.47Å; K407-E438 WeakPolarHBondContact CB-OE2 3.5Å; K407-E438 HydrophobicContact CD-CG 4.2Å; K407-E438 WeakPolarHBondContact CE-O 3.42Å; K407-E438 HydrophobicContact CG-CB 4.11Å; K407-E438 HydrophobicContact CG-CG 4.21Å; K407-E438 WeakPolarHBondContact CG-OE2 3.48Å; K407-E438 PolarHBondContact N-OE2 3.03Å; E438-E441 WeakPolarHBondContact CA-OE1 3.33Å; E438-Y455 WeakPolarHBondContact CG-OH 3.11Å; E438-Y455 PolarHBondContact OE1-OH 2.83Å
439G94.1Very high87.6Confident56 Ų5672.3 Ų72.358%0.57738%0.379SS*.THydrogen-bonded Turntrans91.5-2.1-174.300000115A437 E441A437-G439 PolarHBondContact O-N 2.8Å; G439-E441 VanDerWaalsContact C-OE2 3.3Å; G439-E441 WeakPolarHBondContact CA-OE2 3.36Å; G439-E441 PolarHBondContact N-OE1 2.92Å; G439-E441 PolarHBondContact N-OE2 3.43Å; G439-E441 VanDerWaalsContact N-OE2 3.13Å
440Q95.9Very high89.6Confident156 Ų15666.7 Ų66.773%0.72937%0.373SS*.  trans-118.826.5175.5-59.4-172.61.700111.9A437A437-Q440 PolarHBondContact O-N 3.24Å
441E96.5Very high91.5Very high24 Ų2458.3 Ų58.311%0.11235%0.346CS..  trans-72.4133.6-176.1-52.985.4173.600112.2W404 V436 E438 G439 F445 W446W404-E441 PolarHBondContact NE1-OE1 3.34Å; V436-E441 HydrophobicContact CG1-CB 4.04Å; V436-E441 HydrophobicContact CG1-CG 3.78Å; E438-E441 WeakPolarHBondContact CA-OE1 3.33Å; G439-E441 VanDerWaalsContact C-OE2 3.3Å; G439-E441 WeakPolarHBondContact CA-OE2 3.36Å; G439-E441 PolarHBondContact N-OE1 2.92Å; G439-E441 PolarHBondContact N-OE2 3.43Å; G439-E441 VanDerWaalsContact N-OE2 3.13Å; E441-F445 HydrophobicContact CB-CD1 3.75Å; E441-F445 HydrophobicContact CB-CE1 4.3Å; E441-F445 HydrophobicContact CB-CG 4.29Å; E441-F445 HydrophobicContact CG-CD1 3.9Å; E441-F445 HydrophobicContact CG-CE1 3.92Å; E441-W446 HydrophobicContact CB-CZ2 3.95Å; E441-W446 VanDerWaalsContact CD-CZ2 3.48Å; E441-W446 HydrophobicContact CG-CH2 4.44Å; E441-W446 HydrophobicContact CG-CZ2 3.66Å
442P94.4Very high93.1Very high38 Ų3863.7 Ų63.725%0.24736%0.358CS..  trans-68.5162.6174.327.9-31.8000111.4Y402 E444 F445Y402-P442 HydrophobicContact CE1-CG 3.84Å; P442-E444 VanDerWaalsContact C-N 3.33Å; P442-E444 PolarHBondContact O-N 2.74Å; P442-F445 HydrophobicContact CG-CB 3.8Å; P442-F445 WeakPolarHBondContact O-CB 3.46Å; P442-F445 PolarHBondContact O-N 2.97Å
443V94.3Very high93.6Very high108 Ų10861.2 Ų61.266%0.65535%0.353SS*.Hα-helixtrans-61.9-43-179.8179.70000111.1F445 W446 E447V443-F445 VanDerWaalsContact C-N 3.27Å; V443-F445 PolarHBondContact O-N 2.82Å; V443-W446 PolarHBondContact O-N 3.2Å; V443-E447 HydrophobicContact CG1-CG 4.35Å; V443-E447 PolarHBondContact O-N 3.1Å
444E93.6Very high93.5Very high82 Ų8263.3 Ų63.338%0.38337%0.373SS..Hα-helixtrans-58.6-37178.7-173.3179.8170.700112.3S399 Y402 P442 W446 E447 L448S399-E444 PolarHBondContact OG-OE1 3.16Å; Y402-E444 PolarHBondContact OH-OE2 2.66Å; P442-E444 VanDerWaalsContact C-N 3.33Å; P442-E444 PolarHBondContact O-N 2.74Å; E444-W446 VanDerWaalsContact C-N 3.31Å; E444-W446 PolarHBondContact O-N 3.22Å; E444-E447 PolarHBondContact O-N 2.73Å; E444-L448 HydrophobicContact CG-CD1 4.49Å; E444-L448 WeakPolarHBondContact O-CG 3.46Å; E444-L448 PolarHBondContact O-N 2.74Å
445F95.1Very high93.2Very high1 Ų161.6 Ų61.60%0.00436%0.364CS..Hα-helixtrans-58.3-43.8175.4173.9-88.3000111.7L387 L395 Y402 W404 E441 P442 V443 L449L387-F445 HydrophobicContact CD1-CE1 4.18Å; L387-F445 HydrophobicContact CD1-CZ 4.26Å; L395-F445 HydrophobicContact CB-CE2 4.25Å; L395-F445 HydrophobicContact CD2-CD2 3.64Å; L395-F445 HydrophobicContact CD2-CE2 3.73Å; L395-F445 HydrophobicContact CD2-CG 4.36Å; Y402-F445 HydrophobicContact CD1-CD2 4.38Å; Y402-F445 HydrophobicContact CD2-CD2 4.17Å; Y402-F445 AromaticContact CG-CD2 3.89Å; Y402-F445 HydrophobicContact CG-CD2 3.89Å; W404-F445 HydrophobicContact CB-CE2 3.94Å; W404-F445 HydrophobicContact CB-CZ 3.91Å; W404-F445 AromaticContact CD1-CE1 3.99Å; W404-F445 AromaticContact CD1-CZ 3.58Å; W404-F445 HydrophobicContact CG-CE2 4.32Å; W404-F445 AromaticContact CG-CZ 3.83Å; W404-F445 HydrophobicContact CG-CZ 3.83Å; E441-F445 HydrophobicContact CB-CD1 3.75Å; E441-F445 HydrophobicContact CB-CE1 4.3Å; E441-F445 HydrophobicContact CB-CG 4.29Å; E441-F445 HydrophobicContact CG-CD1 3.9Å; E441-F445 HydrophobicContact CG-CE1 3.92Å; P442-F445 HydrophobicContact CG-CB 3.8Å; P442-F445 WeakPolarHBondContact O-CB 3.46Å; P442-F445 PolarHBondContact O-N 2.97Å; V443-F445 VanDerWaalsContact C-N 3.27Å; V443-F445 PolarHBondContact O-N 2.82Å; F445-L449 HydrophobicContact CD1-CD1 4.19Å; F445-L449 HydrophobicContact CE1-CD1 3.54Å; F445-L449 HydrophobicContact CE2-CD1 4.43Å; F445-L449 HydrophobicContact CZ-CD1 3.68Å; F445-L449 PolarHBondContact O-N 2.78Å
446W96.3Very high92.5Very high24 Ų2459 Ų599%0.09136%0.358CS..Hα-helixtrans-71.6-36177.4-67.6115.2000112.3A384 L387 E441 V443 E444 L448 L449 G450 G451 K452 Y455A384-W446 HydrophobicContact CB-CE3 4.01Å; A384-W446 HydrophobicContact CB-CZ3 3.73Å; L387-W446 HydrophobicContact CD1-CH2 3.85Å; L387-W446 HydrophobicContact CD1-CZ3 3.82Å; E441-W446 HydrophobicContact CB-CZ2 3.95Å; E441-W446 VanDerWaalsContact CD-CZ2 3.48Å; E441-W446 HydrophobicContact CG-CH2 4.44Å; E441-W446 HydrophobicContact CG-CZ2 3.66Å; V443-W446 PolarHBondContact O-N 3.2Å; E444-W446 VanDerWaalsContact C-N 3.31Å; E444-W446 PolarHBondContact O-N 3.22Å; W446-L448 VanDerWaalsContact C-N 3.34Å; W446-L448 PolarHBondContact O-N 3.46Å; W446-L449 HydrophobicContact CE3-CD1 4.4Å; W446-L449 HydrophobicContact CZ3-CD1 4.35Å; W446-L449 PolarHBondContact O-N 2.87Å; W446-L449 VanDerWaalsContact O-N 3.17Å; W446-G450 PolarHBondContact O-N 3.43Å; W446-G451 VanDerWaalsContact O-CA 3.28Å; W446-G451 WeakPolarHBondContact O-CA 3.25Å; W446-G451 PolarHBondContact O-N 2.73Å; W446-K452 HydrophobicContact CD2-CB 3.92Å; W446-K452 HydrophobicContact CD2-CD 4.39Å; W446-K452 HydrophobicContact CD2-CG 4.01Å; W446-K452 HydrophobicContact CE3-CB 4.07Å; W446-K452 HydrophobicContact CE3-CG 4.13Å; W446-K452 HydrophobicContact CG-CB 4.16Å; W446-K452 HydrophobicContact CH2-CG 4.37Å; W446-K452 HydrophobicContact CZ2-CD 4.27Å; W446-K452 HydrophobicContact CZ2-CG 4.22Å; W446-K452 HydrophobicContact CZ3-CG 4.31Å; W446-Y455 HydrophobicContact CH2-CD1 4.5Å; W446-Y455 AromaticContact CH2-CE1 3.89Å; W446-Y455 HydrophobicContact CH2-CE1 3.89Å
447E94.8Very high91.8Very high137 Ų13763.8 Ų63.864%0.6438%0.383SS*.Hα-helixtrans-61.2-42.4176.1-70.3177.6167.900111.7V443 E444 L449 G450V443-E447 HydrophobicContact CG1-CG 4.35Å; V443-E447 PolarHBondContact O-N 3.1Å; E444-E447 PolarHBondContact O-N 2.73Å; E447-L449 PolarHBondContact O-N 3.24Å; E447-G450 PolarHBondContact O-N 3.18Å; E447-G450 VanDerWaalsContact O-N 3.13Å
448L94.3Very high90.7Very high42 Ų4268 Ų6822%0.2240%0.399CS..Hα-helixtrans-61.2-27.8175.3-71.7172.5000113.4V362 L395 Y402 E444 W446V362-L448 HydrophobicContact CG1-CB 4.48Å; V362-L448 HydrophobicContact CG2-CD2 3.88Å; L395-L448 HydrophobicContact CD2-CB 3.92Å; L395-L448 HydrophobicContact CD2-CD1 4.07Å; Y402-L448 HydrophobicContact CD2-CD1 4.17Å; Y402-L448 HydrophobicContact CE2-CD1 3.67Å; E444-L448 HydrophobicContact CG-CD1 4.49Å; E444-L448 WeakPolarHBondContact O-CG 3.46Å; E444-L448 PolarHBondContact O-N 2.74Å; W446-L448 VanDerWaalsContact C-N 3.34Å; W446-L448 PolarHBondContact O-N 3.46Å
449L93.5Very high89.2Confident3 Ų376.6 Ų76.62%0.01644%0.436CS..THydrogen-bonded Turntrans-94.19.9178.8-67.8180000113.9L364 A382 A384 L387 L395 F445 W446 E447L364-L449 HydrophobicContact CD1-CD2 4.48Å; L364-L449 HydrophobicContact CD2-CD2 4.03Å; A382-L449 HydrophobicContact CB-CD2 4.45Å; A384-L449 HydrophobicContact CB-CB 4.34Å; A384-L449 PolarHBondContact N-O 2.83Å; L387-L449 HydrophobicContact CD1-CD1 4.13Å; L395-L449 HydrophobicContact CD1-CD2 3.73Å; L395-L449 HydrophobicContact CD1-CG 4.48Å; L395-L449 HydrophobicContact CD2-CD1 4.46Å; L395-L449 HydrophobicContact CD2-CD2 4.13Å; L395-L449 HydrophobicContact CD2-CG 3.99Å; F445-L449 HydrophobicContact CD1-CD1 4.19Å; F445-L449 HydrophobicContact CE1-CD1 3.54Å; F445-L449 HydrophobicContact CE2-CD1 4.43Å; F445-L449 HydrophobicContact CZ-CD1 3.68Å; F445-L449 PolarHBondContact O-N 2.78Å; W446-L449 HydrophobicContact CE3-CD1 4.4Å; W446-L449 HydrophobicContact CZ3-CD1 4.35Å; W446-L449 PolarHBondContact O-N 2.87Å; W446-L449 VanDerWaalsContact O-N 3.17Å; E447-L449 PolarHBondContact O-N 3.24Å
450G93.1Very high87.6Confident76 Ų7679.2 Ų79.278%0.78443%0.429SS*.THydrogen-bonded Turntrans78.320-179.100000114.3W446 E447W446-G450 PolarHBondContact O-N 3.43Å; E447-G450 PolarHBondContact O-N 3.18Å; E447-G450 VanDerWaalsContact O-N 3.13Å
451G93.6Very high85.5Confident30 Ų3077 Ų7731%0.30942%0.422SS..SBendtrans103.1169.3-179.200000113.5A384 W446A384-G451 WeakPolarHBondContact CB-O 3.22Å; W446-G451 VanDerWaalsContact O-CA 3.28Å; W446-G451 WeakPolarHBondContact O-CA 3.25Å; W446-G451 PolarHBondContact O-N 2.73Å
452K93.7Very high83.1Confident151 Ų15185.3 Ų85.366%0.65746%0.46SS*.  trans-79129.8179.3-171171.3-174.8168.20110.8W446W446-K452 HydrophobicContact CD2-CB 3.92Å; W446-K452 HydrophobicContact CD2-CD 4.39Å; W446-K452 HydrophobicContact CD2-CG 4.01Å; W446-K452 HydrophobicContact CE3-CB 4.07Å; W446-K452 HydrophobicContact CE3-CG 4.13Å; W446-K452 HydrophobicContact CG-CB 4.16Å; W446-K452 HydrophobicContact CH2-CG 4.37Å; W446-K452 HydrophobicContact CZ2-CD 4.27Å; W446-K452 HydrophobicContact CZ2-CG 4.22Å; W446-K452 HydrophobicContact CZ3-CG 4.31Å
453A86.8Confident80.7Confident32 Ų3289.2 Ų89.226%0.26448%0.475SS..  trans-136.1161.8176.100000111.1A384 T385 Y455A384-A453 HydrophobicContact CB-CB 3.9Å; T385-A453 HydrophobicContact CG2-CB 3.77Å; A453-Y455 WeakPolarHBondContact O-CD1 3.27Å
454P83.8Confident78.3Confident120 Ų12088.7 Ų88.778%0.77947%0.472SS*.  trans-61.6143.3169.6-19.432.6000111.3
455Y85.3Confident75.9Confident45 Ų4589.2 Ų89.218%0.17648%0.481CS..  trans-142.8168.2178.758.5-101000110.6A384 L387 W404 E438 W446 A453 N457A384-Y455 WeakPolarHBondContact O-CB 3.29Å; L387-Y455 HydrophobicContact CB-CD1 4.22Å; L387-Y455 HydrophobicContact CB-CD2 4.04Å; L387-Y455 HydrophobicContact CB-CG 3.83Å; L387-Y455 HydrophobicContact CD1-CD1 4.36Å; L387-Y455 HydrophobicContact CD1-CE1 4.44Å; L387-Y455 WeakPolarHBondContact O-CB 3.46Å; W404-Y455 HydrophobicContact CH2-CE2 4.11Å; W404-Y455 HydrophobicContact CZ2-CE2 4.14Å; E438-Y455 WeakPolarHBondContact CG-OH 3.11Å; E438-Y455 PolarHBondContact OE1-OH 2.83Å; W446-Y455 HydrophobicContact CH2-CD1 4.5Å; W446-Y455 AromaticContact CH2-CE1 3.89Å; W446-Y455 HydrophobicContact CH2-CE1 3.89Å; A453-Y455 WeakPolarHBondContact O-CD1 3.27Å; Y455-N457 PolarHBondContact O-N 2.94Å
456A78.3Confident73.5Confident47 Ų4792.5 Ų92.539%0.38850%0.498SS..BIsolated β-bridgetrans-66.7122.9-175.100000111.4L387 N388 S389L387-A456 PolarHBondContact O-N 2.93Å; N388-A456 CarbonylContact C-O 3.42Å; N388-A456 VanDerWaalsContact CA-O 3.29Å; N388-A456 WeakPolarHBondContact CA-O 3.16Å; N388-A456 HydrophobicContact CB-CB 4.5Å; S389-A456 PolarHBondContact N-O 2.98Å
457N78.6Confident71.4Confident104 Ų10495.7 Ų95.756%0.55652%0.517SS*.  trans-135.55.6-177.765.38.5000114.4S389 Y455S389-N457 WeakPolarHBondContact OG-CA 3.44Å; S389-N457 WeakPolarHBondContact OG-CB 3.29Å; Y455-N457 PolarHBondContact O-N 2.94Å
458D73.3Confident69.9Low131 Ų13191.1 Ų91.170%0.70150%0.495SS*.SBendtrans-65.9141174-66.6-53.6000110.8N390 R460N390-D458 PolarHBondContact ND2-O 2.97Å; N390-D458 PolarHBondContact OD1-O 2.71Å; D458-R460 PolarHBondContact O-N 2.94Å
459K64.4Low68.5Low201 Ų20195.9 Ų95.987%0.87452%0.517SS*.PPolyproline II helixtrans-65.2120.5177.4-70.6-174.1177.8-177.10110.2
460R60.4Low67.7Low111 Ų11197.4 Ų97.442%0.41953%0.526SS..PPolyproline II helixtrans-71.8134.5172.4-167170.178.4-151.60.2110N390 D391 D458 Q462N390-R460 HydrophobicContact CB-CB 4.29Å; N390-R460 PolarHBondContact OD1-N 2.61Å; D391-R460 IonicContact OD1-CZ 3.1Å; D391-R460 IonicContact OD1-NH1 3.85Å; D391-R460 PolarHBondContact OD1-NH1 3.27Å; D391-R460 IonicContact OD1-NH2 3.79Å; D391-R460 IonicContact OD2-NH1 3.7Å; D458-R460 PolarHBondContact O-N 2.94Å; R460-Q462 PolarHBondContact O-N 3.24Å
461L51.8Low67.2Low111 Ų11196.7 Ų96.758%0.58150%0.5SS*.PPolyproline II helixtrans-67.1122.6163.9-72.5166.2000107.6Q463 V464L461-Q463 PolarHBondContact O-N 3.17Å; L461-Q463 VanDerWaalsContact O-N 3.11Å; L461-V464 HydrophobicContact CB-CG2 4.2Å
462Q46.1Very low66.6Low197 Ų19795.3 Ų95.392%0.92149%0.486SS*.SBendtrans-62.5-18.8-173.9-76.7-178.9-26.300113.7R460R460-Q462 PolarHBondContact O-N 3.24Å
463Q44.1Very low66.3Low120 Ų12088.6 Ų88.656%0.56146%0.457SS*.  trans-148.1118.1170.9-108174.1-16.600107.6L461 V465L461-Q463 PolarHBondContact O-N 3.17Å; L461-Q463 VanDerWaalsContact O-N 3.11Å; Q463-V465 VanDerWaalsContact C-N 3.31Å; Q463-V465 HydrophobicContact CB-CG2 4.13Å; Q463-V465 HydrophobicContact CG-CG2 3.92Å
464V42.7Very low66.2Low98 Ų9889.4 Ų89.459%0.59446%0.455SS*.  trans-96.975.8154.7-169.70000104.3L461 L466L461-V464 HydrophobicContact CB-CG2 4.2Å; V464-L466 HydrophobicContact CG1-CD2 3.83Å; V464-L466 HydrophobicContact CG1-CG 3.87Å; V464-L466 PolarHBondContact O-N 2.99Å
465V43.6Very low66.3Low93 Ų9383.7 Ų83.756%0.56442%0.418SS*.  trans-70.399.5161.8-179.10000103.8Q463 D467Q463-V465 VanDerWaalsContact C-N 3.31Å; Q463-V465 HydrophobicContact CB-CG2 4.13Å; Q463-V465 HydrophobicContact CG-CG2 3.92Å; V465-D467 PolarHBondContact O-N 2.71Å
466L46Very low65.9Low70 Ų7082.4 Ų82.437%0.36642%0.415SS..  trans-70121.8165.6-65.9164.8000105.5V464 H468 W506V464-L466 HydrophobicContact CG1-CD2 3.83Å; V464-L466 HydrophobicContact CG1-CG 3.87Å; V464-L466 PolarHBondContact O-N 2.99Å; L466-H468 WeakPolarHBondContact CB-CD2 3.33Å; L466-H468 WeakPolarHBondContact CB-NE2 3.34Å; L466-H468 WeakPolarHBondContact CD1-NE2 3.33Å; L466-H468 PolarHBondContact O-N 2.95Å; L466-W506 HydrophobicContact CD1-CZ2 4.08Å
467D50.6Low65.6Low90 Ų9081.7 Ų81.748%0.48141%0.405SS..  trans-6582.4172.7-73.6-33.3000108.3A187 V465A187-D467 HydrophobicContact CB-CB 4.14Å; A187-D467 VanDerWaalsContact CB-O 3.26Å; A187-D467 WeakPolarHBondContact CB-O 3.43Å; V465-D467 PolarHBondContact O-N 2.71Å
468H63.3Low65Low41 Ų4181.2 Ų81.219%0.1940%0.398CS..  trans-105.1117.7171-67.9-66.5000108.7L466 W506L466-H468 WeakPolarHBondContact CB-CD2 3.33Å; L466-H468 WeakPolarHBondContact CB-NE2 3.34Å; L466-H468 WeakPolarHBondContact CD1-NE2 3.33Å; L466-H468 PolarHBondContact O-N 2.95Å; H468-W506 HydrophobicContact CB-CB 3.74Å; H468-W506 HydrophobicContact CB-CD2 4.4Å; H468-W506 HydrophobicContact CB-CE3 4.41Å; H468-W506 HydrophobicContact CB-CG 4.14Å; H468-W506 AromaticContact CD2-CD1 3.52Å; H468-W506 AromaticContact CD2-CD2 3.14Å; H468-W506 AromaticContact CD2-CE2 3.48Å; H468-W506 VanDerWaalsContact CD2-CE2 3.48Å; H468-W506 AromaticContact CD2-CE3 3.59Å; H468-W506 AromaticContact CD2-CG 3.19Å; H468-W506 AromaticContact CD2-NE1 3.68Å; H468-W506 AromaticContact CE1-CD2 3.71Å; H468-W506 AromaticContact CE1-CE2 3.88Å; H468-W506 AromaticContact CE1-CE3 3.45Å; H468-W506 VanDerWaalsContact CE1-CE3 3.45Å; H468-W506 AromaticContact CE1-CH2 3.59Å; H468-W506 AromaticContact CE1-CZ2 3.85Å; H468-W506 AromaticContact CE1-CZ3 3.36Å; H468-W506 WeakPolarHBondContact CE1-CZ3 3.48Å; H468-W506 AromaticContact CG-CD2 3.6Å; H468-W506 AromaticContact CG-CE3 3.6Å; H468-W506 AromaticContact CG-CG 3.72Å; H468-W506 AromaticContact ND1-CD2 3.92Å; H468-W506 AromaticContact ND1-CE3 3.51Å; H468-W506 AromaticContact ND1-CZ3 3.76Å; H468-W506 AromaticContact NE2-CD2 3.24Å; H468-W506 AromaticContact NE2-CE2 3.16Å; H468-W506 AromaticContact NE2-CE3 3.52Å; H468-W506 AromaticContact NE2-CG 3.81Å; H468-W506 AromaticContact NE2-CH2 3.66Å; H468-W506 AromaticContact NE2-CZ2 3.41Å; H468-W506 WeakPolarHBondContact NE2-CZ2 3.36Å; H468-W506 AromaticContact NE2-CZ3 3.69Å; H468-W506 AromaticContact NE2-NE1 3.66Å
469E64.8Low64.2Low143 Ų14379.2 Ų79.267%0.66839%0.391SS*.  trans-72.5139.2170-68.1-177.2164.800109.1
470P76.9Confident63.7Low34 Ų3473 Ų7322%0.22138%0.384CS..  trans-63.6143.5176.229.8-37.4000110.3F490 L503 D504 T505 W561P470-F490 HydrophobicContact CB-CE1 4.4Å; P470-F490 HydrophobicContact CB-CZ 4.05Å; P470-F490 HydrophobicContact CG-CE1 4.35Å; P470-F490 HydrophobicContact CG-CZ 3.95Å; P470-L503 HydrophobicContact CB-CD1 4.1Å; P470-D504 CarbonylContact C-O 3.59Å; P470-D504 WeakPolarHBondContact CA-O 3.23Å; P470-T505 HydrophobicContact CB-CG2 4.32Å; P470-W561 HydrophobicContact CB-CD2 4.33Å; P470-W561 HydrophobicContact CB-CE3 4.04Å; P470-W561 HydrophobicContact CB-CZ3 4.45Å; P470-W561 HydrophobicContact CG-CD2 4.37Å; P470-W561 HydrophobicContact CG-CE3 3.65Å; P470-W561 HydrophobicContact CG-CZ3 4.05Å
471R82.3Confident63.7Low61 Ų6177 Ų7723%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-125.5127.5179.9-64.1174.869-161.83.5110F473 E486 L503 D504R471-F473 HydrophobicContact CB-CD2 4.48Å; R471-F473 HydrophobicContact CB-CE2 3.62Å; R471-F473 HydrophobicContact CB-CZ 4.06Å; R471-E486 IonicContact CZ-OE1 2.74Å; R471-E486 VanDerWaalsContact CZ-OE1 3.31Å; R471-E486 IonicContact CZ-OE2 2.57Å; R471-E486 IonicContact NE-OE1 3.39Å; R471-E486 PolarHBondContact NE-OE1 2.67Å; R471-E486 IonicContact NE-OE2 2.76Å; R471-E486 IonicContact NH2-OE1 3.36Å; R471-E486 PolarHBondContact NH2-OE1 2.76Å; R471-E486 IonicContact NH2-OE2 2.67Å; R471-E486 PolarHBondContact NH2-OE2 3.39Å; R471-L503 CarbonylContact O-C 3.52Å; R471-L503 WeakPolarHBondContact O-CA 3.26Å; R471-D504 PolarHBondContact N-O 3.22Å; R471-D504 PolarHBondContact O-N 3.2Å
472L82.3Confident64.5Low1 Ų174.1 Ų74.11%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-101139.1177.7-172.669.2000109.7V487 F490 L495 M501 L502 L503 F562L472-V487 HydrophobicContact CB-CB 4.29Å; L472-V487 HydrophobicContact CD2-CB 4.17Å; L472-V487 HydrophobicContact CD2-CG1 4.33Å; L472-V487 HydrophobicContact CG-CB 4.31Å; L472-V487 PolarHBondContact O-N 3.48Å; L472-F490 HydrophobicContact CB-CB 3.9Å; L472-F490 HydrophobicContact CB-CD1 3.39Å; L472-F490 HydrophobicContact CB-CD2 4.3Å; L472-F490 HydrophobicContact CB-CE1 3.97Å; L472-F490 HydrophobicContact CB-CG 3.6Å; L472-F490 HydrophobicContact CD2-CB 3.39Å; L472-F490 HydrophobicContact CD2-CD1 4.42Å; L472-F490 HydrophobicContact CD2-CD2 4.1Å; L472-F490 HydrophobicContact CD2-CG 3.73Å; L472-F490 HydrophobicContact CG-CB 4.29Å; L472-F490 HydrophobicContact CG-CG 4.29Å; L472-L495 HydrophobicContact CD1-CD2 4.5Å; L472-L495 HydrophobicContact CD2-CD2 4.43Å; L472-M501 HydrophobicContact CD1-CB 4.01Å; L472-M501 HydrophobicContact CD1-CE 4.36Å; L472-M501 HydrophobicContact CD2-CE 3.84Å; L472-M501 HydrophobicContact CG-CE 3.98Å; L472-L502 CarbonylContact C-O 3.53Å; L472-L502 WeakPolarHBondContact CA-O 3.37Å; L472-L503 HydrophobicContact CB-CD1 4.27Å; L472-L503 HydrophobicContact CD1-CB 3.85Å; L472-L503 HydrophobicContact CD1-CD1 4.16Å; L472-F562 HydrophobicContact CD2-CE1 4.47Å
473F86.7Confident65.4Low11 Ų1167 Ų675%0.04835%0.349CS..EExtended strand (participates in β ladder)trans-130.7145.1175-56.7-97.5000109.4R471 V484 S485 E486 M501 L502 D504 Y532R471-F473 HydrophobicContact CB-CD2 4.48Å; R471-F473 HydrophobicContact CB-CE2 3.62Å; R471-F473 HydrophobicContact CB-CZ 4.06Å; F473-V484 HydrophobicContact CB-CG1 3.78Å; F473-V484 HydrophobicContact CD1-CG1 4.17Å; F473-V484 HydrophobicContact CG-CG1 4.28Å; F473-S485 CarbonylContact C-O 3.56Å; F473-S485 WeakPolarHBondContact CA-O 3.39Å; F473-S485 WeakPolarHBondContact CB-O 3.5Å; F473-E486 HydrophobicContact CD1-CB 3.74Å; F473-E486 HydrophobicContact CD1-CG 4.11Å; F473-E486 HydrophobicContact CE1-CB 3.72Å; F473-E486 HydrophobicContact CE1-CG 3.83Å; F473-E486 HydrophobicContact CZ-CG 4.34Å; F473-M501 CarbonylContact O-C 3.32Å; F473-M501 VanDerWaalsContact O-CA 3.3Å; F473-M501 WeakPolarHBondContact O-CA 3.42Å; F473-L502 HydrophobicContact CB-CB 4.26Å; F473-L502 HydrophobicContact CB-CD2 4.34Å; F473-L502 HydrophobicContact CD2-CD2 3.52Å; F473-L502 HydrophobicContact CE2-CD2 4.18Å; F473-L502 HydrophobicContact CG-CD2 4.24Å; F473-L502 PolarHBondContact N-O 3.48Å; F473-L502 PolarHBondContact O-N 2.6Å; F473-D504 HydrophobicContact CE2-CB 4.48Å; F473-Y532 HydrophobicContact CE2-CE2 4.06Å; F473-Y532 AromaticContact CZ-CE2 3.97Å; F473-Y532 HydrophobicContact CZ-CE2 3.97Å
474E85.1Confident66.8Low48 Ų4862.8 Ų62.822%0.22433%0.332CS..EExtended strand (participates in β ladder)trans-100130171.7176.1-179.9-14300108.8V484 S485 V487 D499 M501E474-V484 CarbonylContact O-C 3.6Å; E474-V484 VanDerWaalsContact O-CA 3.26Å; E474-V484 WeakPolarHBondContact O-CA 3.46Å; E474-S485 PolarHBondContact N-O 2.71Å; E474-S485 PolarHBondContact O-N 2.85Å; E474-S485 PolarHBondContact O-OG 3.47Å; E474-V487 HydrophobicContact CB-CG2 4.27Å; E474-D499 HydrophobicContact CG-CB 4.3Å; E474-M501 HydrophobicContact CB-CE 3.81Å; E474-M501 HydrophobicContact CB-SD 3.95Å; E474-M501 HydrophobicContact CG-CE 4.42Å; E474-M501 HydrophobicContact CG-SD 4Å
475C85.4Confident68.2Low0 Ų059.6 Ų59.60%031%0.314CS..EExtended strand (participates in β ladder)trans-112105.1177.7-66.60000108.5F482 I483 I500 A525C475-F482 HydrophobicContact CB-CE2 3.98Å; C475-F482 HydrophobicContact CB-CZ 3.6Å; C475-I483 WeakPolarHBondContact CA-O 3.25Å; C475-I500 WeakPolarHBondContact CA-O 3.43Å; C475-I500 HydrophobicContact CB-CB 4.19Å; C475-I500 VanDerWaalsContact CB-O 3.24Å; C475-I500 WeakPolarHBondContact CB-O 3.49Å; C475-I500 PolarHBondContact N-O 2.65Å; C475-I500 PolarHBondContact O-N 3.15Å; C475-A525 HydrophobicContact CB-CB 4.42Å
476S77.4Confident69.8Low18 Ų1859.6 Ų59.613%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-132.4147.7-174.3-1720000111.8K478 F482 I483 D499S476-K478 WeakPolarHBondContact OG-CD 2.89Å; S476-K478 WeakPolarHBondContact OG-CG 3.48Å; S476-K478 PolarHBondContact OG-N 3.28Å; S476-F482 CarbonylContact O-C 3.13Å; S476-F482 WeakPolarHBondContact O-CA 3.12Å; S476-I483 PolarHBondContact N-O 3.01Å; S476-I483 PolarHBondContact O-N 3.11Å; S476-D499 WeakPolarHBondContact CB-OD1 3.27Å; S476-D499 PolarHBondContact OG-OD1 3.35Å
477N72.1Confident70.8Confident33 Ų3357.6 Ų57.618%0.17630%0.298CS..  trans-112.311.3170.273.911.9000114.5T479 G480 R481 F482 N518 V520 E521N477-T479 PolarHBondContact O-N 3.34Å; N477-T479 VanDerWaalsContact O-N 3.08Å; N477-G480 WeakPolarHBondContact O-CA 3.43Å; N477-G480 PolarHBondContact O-N 3Å; N477-R481 WeakPolarHBondContact CA-O 3.3Å; N477-F482 HydrophobicContact CB-CB 4.39Å; N477-F482 HydrophobicContact CB-CD2 4.43Å; N477-N518 PolarHBondContact ND2-OD1 3.44Å; N477-N518 VanDerWaalsContact ND2-OD1 3.15Å; N477-N518 PolarHBondContact OD1-ND2 3.33Å; N477-V520 WeakPolarHBondContact ND2-CG1 3.49Å; N477-E521 HydrophobicContact CB-CG 4.1Å; N477-E521 PolarHBondContact N-OE1 3.36Å; N477-E521 PolarHBondContact OD1-OE1 3.32Å
478K65.4Low71.4Confident94 Ų9457.1 Ų57.141%0.40931%0.307SS..THydrogen-bonded Turntrans-56.6-26.6-175.7-73.1171.7176.9171.80114.3S476 G480 D498 D499S476-K478 WeakPolarHBondContact OG-CD 2.89Å; S476-K478 WeakPolarHBondContact OG-CG 3.48Å; S476-K478 PolarHBondContact OG-N 3.28Å; K478-G480 PolarHBondContact O-N 2.74Å; K478-D498 IonicContact NZ-OD2 2.81Å; K478-D498 PolarHBondContact NZ-OD2 2.77Å; K478-D499 WeakPolarHBondContact CE-OD1 3.32Å; K478-D499 WeakPolarHBondContact CE-OD2 3.42Å; K478-D499 IonicContact NZ-OD1 2.73Å; K478-D499 IonicContact NZ-OD2 3.48Å; K478-D499 PolarHBondContact NZ-OD2 3.39Å
479T57Low71.5Confident89 Ų8964.4 Ų64.455%0.54634%0.341SS..THydrogen-bonded Turntrans-77.30.317663.30000113.7N477 R481 I483N477-T479 PolarHBondContact O-N 3.34Å; N477-T479 VanDerWaalsContact O-N 3.08Å; T479-R481 VanDerWaalsContact C-N 3.31Å; T479-R481 PolarHBondContact OG1-O 2.86Å; T479-I483 HydrophobicContact CG2-CD1 4.25Å; T479-I483 VanDerWaalsContact OG1-CD1 3.24Å; T479-I483 WeakPolarHBondContact OG1-CD1 3.41Å
480G53.8Low71.8Confident71 Ų7158.9 Ų58.973%0.73232%0.315SS*.SBendtrans85.9-0.2-172.600000113.9N477 K478N477-G480 WeakPolarHBondContact O-CA 3.43Å; N477-G480 PolarHBondContact O-N 3Å; K478-G480 PolarHBondContact O-N 2.74Å
481R60.9Low71.5Confident194 Ų19460 Ų6073%0.73232%0.321SS*.SBendtrans-135.4146.9171.3-65.8-178.6179.5177.11108.6N477 T479 I483N477-R481 WeakPolarHBondContact CA-O 3.3Å; T479-R481 VanDerWaalsContact C-N 3.31Å; T479-R481 PolarHBondContact OG1-O 2.86Å; R481-I483 PolarHBondContact O-N 3.46Å
482F67.4Low71.3Confident51 Ų5157.6 Ų57.622%0.22431%0.312CS..  trans-74.1124.1175.5-175.9-90000110.4C475 S476 N477 V484 E521 E524 A525 T528C475-F482 HydrophobicContact CB-CE2 3.98Å; C475-F482 HydrophobicContact CB-CZ 3.6Å; S476-F482 CarbonylContact O-C 3.13Å; S476-F482 WeakPolarHBondContact O-CA 3.12Å; N477-F482 HydrophobicContact CB-CB 4.39Å; N477-F482 HydrophobicContact CB-CD2 4.43Å; F482-V484 HydrophobicContact CE1-CG2 3.89Å; F482-E521 HydrophobicContact CD2-CG 4.45Å; F482-E521 HydrophobicContact CE2-CG 4.46Å; F482-E524 HydrophobicContact CB-CB 4.45Å; F482-E524 HydrophobicContact CD1-CB 4.1Å; F482-E524 HydrophobicContact CD2-CB 3.48Å; F482-E524 VanDerWaalsContact CD2-CB 3.48Å; F482-E524 HydrophobicContact CD2-CG 4.23Å; F482-E524 HydrophobicContact CE1-CB 4.2Å; F482-E524 HydrophobicContact CE2-CB 3.57Å; F482-E524 HydrophobicContact CG-CB 3.74Å; F482-E524 HydrophobicContact CG-CG 4.31Å; F482-E524 HydrophobicContact CZ-CB 3.93Å; F482-A525 HydrophobicContact CE2-CB 4.47Å; F482-A525 HydrophobicContact CZ-CB 4.18Å; F482-T528 HydrophobicContact CE1-CG2 3.95Å; F482-T528 WeakPolarHBondContact CE1-OG1 3.34Å
483I66.3Low71Confident47 Ų4761.7 Ų61.724%0.24133%0.334CS..EExtended strand (participates in β ladder)trans-132.8148.2-172.8-59.8-177.5000109.5D90 C475 S476 T479 R481D90-I483 VanDerWaalsContact CG-CD1 3.48Å; D90-I483 WeakPolarHBondContact OD1-CD1 3.28Å; D90-I483 WeakPolarHBondContact OD2-CD1 3.38Å; C475-I483 WeakPolarHBondContact CA-O 3.25Å; S476-I483 PolarHBondContact N-O 3.01Å; S476-I483 PolarHBondContact O-N 3.11Å; T479-I483 HydrophobicContact CG2-CD1 4.25Å; T479-I483 VanDerWaalsContact OG1-CD1 3.24Å; T479-I483 WeakPolarHBondContact OG1-CD1 3.41Å; R481-I483 PolarHBondContact O-N 3.46Å
484V73.5Confident70.6Confident32 Ų3262.6 Ų62.619%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-122.1111.5176.3-171.60000110.4K97 F473 E474 F482 T528K97-V484 PolarHBondContact NZ-O 2.94Å; F473-V484 HydrophobicContact CB-CG1 3.78Å; F473-V484 HydrophobicContact CD1-CG1 4.17Å; F473-V484 HydrophobicContact CG-CG1 4.28Å; E474-V484 CarbonylContact O-C 3.6Å; E474-V484 VanDerWaalsContact O-CA 3.26Å; E474-V484 WeakPolarHBondContact O-CA 3.46Å; F482-V484 HydrophobicContact CE1-CG2 3.89Å; V484-T528 HydrophobicContact CG2-CG2 3.6Å
485S71.6Confident70.6Confident30 Ų3060.5 Ų60.521%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-107.7144.1179.144.20000110.5F473 E474F473-S485 CarbonylContact C-O 3.56Å; F473-S485 WeakPolarHBondContact CA-O 3.39Å; F473-S485 WeakPolarHBondContact CB-O 3.5Å; E474-S485 PolarHBondContact N-O 2.71Å; E474-S485 PolarHBondContact O-N 2.85Å; E474-S485 PolarHBondContact O-OG 3.47Å
486E76.9Confident70.6Confident94 Ų9460.6 Ų60.644%0.43933%0.331SS..EExtended strand (participates in β ladder)trans-89.5132.5177.5-176.1168.5-168.500110.7R471 F473R471-E486 IonicContact CZ-OE1 2.74Å; R471-E486 VanDerWaalsContact CZ-OE1 3.31Å; R471-E486 IonicContact CZ-OE2 2.57Å; R471-E486 IonicContact NE-OE1 3.39Å; R471-E486 PolarHBondContact NE-OE1 2.67Å; R471-E486 IonicContact NE-OE2 2.76Å; R471-E486 IonicContact NH2-OE1 3.36Å; R471-E486 PolarHBondContact NH2-OE1 2.76Å; R471-E486 IonicContact NH2-OE2 2.67Å; R471-E486 PolarHBondContact NH2-OE2 3.39Å; F473-E486 HydrophobicContact CD1-CB 3.74Å; F473-E486 HydrophobicContact CD1-CG 4.11Å; F473-E486 HydrophobicContact CE1-CB 3.72Å; F473-E486 HydrophobicContact CE1-CG 3.83Å; F473-E486 HydrophobicContact CZ-CG 4.34Å
487V68.1Low71.1Confident27 Ų2763.5 Ų63.516%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-102.1102.5174.5-175.80000108.7L472 E474 F490 D494 M501L472-V487 HydrophobicContact CB-CB 4.29Å; L472-V487 HydrophobicContact CD2-CB 4.17Å; L472-V487 HydrophobicContact CD2-CG1 4.33Å; L472-V487 HydrophobicContact CG-CB 4.31Å; L472-V487 PolarHBondContact O-N 3.48Å; E474-V487 HydrophobicContact CB-CG2 4.27Å; V487-F490 HydrophobicContact CG1-CB 3.95Å; V487-D494 HydrophobicContact CG1-CB 3.74Å; V487-M501 HydrophobicContact CG2-CE 4.16Å
488A62.9Low71.6Confident80 Ų8063.8 Ų63.866%0.66134%0.344SS*.THydrogen-bonded Turntrans-77142.9178.300000111.8F490A488-F490 VanDerWaalsContact C-N 3.29Å; A488-F490 PolarHBondContact O-N 3.38Å
489Q63.8Low72.7Confident194 Ų19459.3 Ų59.391%0.90732%0.324SS*.THydrogen-bonded Turntrans5246.5177.3-62177.156.500113
490F71.1Confident74.3Confident27 Ų2755.1 Ų55.112%0.11830%0.298CS..  trans-64.1150.8-171.960.2-93.7000113.8P470 L472 V487 A488 L503 W561 F562P470-F490 HydrophobicContact CB-CE1 4.4Å; P470-F490 HydrophobicContact CB-CZ 4.05Å; P470-F490 HydrophobicContact CG-CE1 4.35Å; P470-F490 HydrophobicContact CG-CZ 3.95Å; L472-F490 HydrophobicContact CB-CB 3.9Å; L472-F490 HydrophobicContact CB-CD1 3.39Å; L472-F490 HydrophobicContact CB-CD2 4.3Å; L472-F490 HydrophobicContact CB-CE1 3.97Å; L472-F490 HydrophobicContact CB-CG 3.6Å; L472-F490 HydrophobicContact CD2-CB 3.39Å; L472-F490 HydrophobicContact CD2-CD1 4.42Å; L472-F490 HydrophobicContact CD2-CD2 4.1Å; L472-F490 HydrophobicContact CD2-CG 3.73Å; L472-F490 HydrophobicContact CG-CB 4.29Å; L472-F490 HydrophobicContact CG-CG 4.29Å; V487-F490 HydrophobicContact CG1-CB 3.95Å; A488-F490 VanDerWaalsContact C-N 3.29Å; A488-F490 PolarHBondContact O-N 3.38Å; F490-L503 HydrophobicContact CE1-CD1 4.03Å; F490-L503 HydrophobicContact CE2-CD1 4.05Å; F490-L503 HydrophobicContact CZ-CD1 3.58Å; F490-W561 WeakPolarHBondContact CE2-O 3.45Å; F490-F562 AromaticContact CD2-CD1 3.68Å; F490-F562 HydrophobicContact CD2-CD1 3.68Å; F490-F562 AromaticContact CD2-CE1 3.53Å; F490-F562 HydrophobicContact CD2-CE1 3.53Å; F490-F562 HydrophobicContact CD2-CG 4.49Å; F490-F562 HydrophobicContact CD2-CZ 4.21Å; F490-F562 AromaticContact CE2-CD1 3.98Å; F490-F562 HydrophobicContact CE2-CD1 3.98Å; F490-F562 AromaticContact CE2-CE1 3.92Å; F490-F562 HydrophobicContact CE2-CE1 3.92Å; F490-F562 HydrophobicContact CE2-CG 4.37Å; F490-F562 HydrophobicContact CE2-CZ 4.21Å
491T71.3Confident76.3Confident57 Ų5751.8 Ų51.835%0.3526%0.264SS..  trans-128175.8171.965.80000110D493 D494T491-D493 PolarHBondContact O-N 3.4Å; T491-D493 VanDerWaalsContact O-N 3.16Å; T491-D493 PolarHBondContact OG1-N 2.74Å; T491-D494 PolarHBondContact N-OD2 3.02Å; T491-D494 PolarHBondContact O-N 3.16Å; T491-D494 VanDerWaalsContact O-N 3.11Å; T491-D494 PolarHBondContact OG1-OD2 3.22Å
492Q78.1Confident77.8Confident11 Ų1142.6 Ų42.65%0.05123%0.229CC..G310 helixtrans-59.7-24.1174.2-170.4-176.311.800111.7D494 L495 W565 D566 K569 W570Q492-D494 PolarHBondContact O-N 3.24Å; Q492-L495 HydrophobicContact CG-CD1 4.46Å; Q492-L495 PolarHBondContact O-N 3.15Å; Q492-W565 HydrophobicContact CB-CE3 3.85Å; Q492-W565 HydrophobicContact CB-CZ3 4.05Å; Q492-W565 HydrophobicContact CG-CD2 4.11Å; Q492-W565 HydrophobicContact CG-CE3 3.61Å; Q492-W565 HydrophobicContact CG-CH2 4Å; Q492-W565 HydrophobicContact CG-CZ2 4.4Å; Q492-W565 HydrophobicContact CG-CZ3 3.57Å; Q492-D566 PolarHBondContact NE2-O 3.39Å; Q492-D566 PolarHBondContact OE1-O 2.84Å; Q492-K569 VanDerWaalsContact C-NZ 3.26Å; Q492-K569 HydrophobicContact CG-CD 3.7Å; Q492-K569 PolarHBondContact O-NZ 2.8Å; Q492-W570 HydrophobicContact CG-CH2 4.3Å; Q492-W570 HydrophobicContact CG-CZ2 4.29Å
493D76.2Confident79Confident87 Ų8740.1 Ų40.147%0.46522%0.219SC..G310 helixtrans-69.7-14.4176.9-68.5-20000115.1Q31 T491 K569Q31-D493 PolarHBondContact NE2-O 3.48Å; T491-D493 PolarHBondContact O-N 3.4Å; T491-D493 VanDerWaalsContact O-N 3.16Å; T491-D493 PolarHBondContact OG1-N 2.74Å; D493-K569 WeakPolarHBondContact OD1-CE 3.29Å; D493-K569 IonicContact OD1-NZ 3.08Å; D493-K569 PolarHBondContact OD1-NZ 2.8Å
494D77.3Confident80.1Confident30 Ų3038.2 Ų38.216%0.1621%0.209CC..G310 helixtrans-94.1-1.6176.8-53.9-64.4000112.9K35 V487 T491 Q492 S496 M501K35-D494 IonicContact NZ-OD1 3.34Å; K35-D494 PolarHBondContact NZ-OD1 2.92Å; V487-D494 HydrophobicContact CG1-CB 3.74Å; T491-D494 PolarHBondContact N-OD2 3.02Å; T491-D494 PolarHBondContact O-N 3.16Å; T491-D494 VanDerWaalsContact O-N 3.11Å; T491-D494 PolarHBondContact OG1-OD2 3.22Å; Q492-D494 PolarHBondContact O-N 3.24Å; D494-S496 PolarHBondContact O-N 3.29Å; D494-M501 WeakPolarHBondContact O-CE 3.48Å
495L86.5Confident80.6Confident5 Ų537.2 Ų37.23%0.02620%0.203CC..  trans-78.199.6169.6-63.6178.8000110.1L472 Q492 M501 W512 F558 F562 W565 W570L472-L495 HydrophobicContact CD1-CD2 4.5Å; L472-L495 HydrophobicContact CD2-CD2 4.43Å; Q492-L495 HydrophobicContact CG-CD1 4.46Å; Q492-L495 PolarHBondContact O-N 3.15Å; L495-M501 HydrophobicContact CD2-CB 3.87Å; L495-M501 HydrophobicContact CD2-CG 3.69Å; L495-W512 HydrophobicContact CB-CE3 4.36Å; L495-W512 HydrophobicContact CB-CH2 3.87Å; L495-W512 HydrophobicContact CB-CZ2 4.06Å; L495-W512 HydrophobicContact CB-CZ3 4.03Å; L495-W512 HydrophobicContact CD1-CD2 4.37Å; L495-W512 HydrophobicContact CD1-CZ2 4.24Å; L495-W512 HydrophobicContact CD2-CD2 4.16Å; L495-W512 HydrophobicContact CD2-CE3 4.21Å; L495-W512 HydrophobicContact CD2-CG 4.43Å; L495-F558 HydrophobicContact CD1-CE1 4.13Å; L495-F558 HydrophobicContact CD1-CZ 4.37Å; L495-F558 HydrophobicContact CD2-CZ 4.33Å; L495-F562 HydrophobicContact CD1-CE1 4.06Å; L495-F562 HydrophobicContact CD1-CZ 4.02Å; L495-F562 HydrophobicContact CD2-CE1 4.01Å; L495-F562 HydrophobicContact CD2-CZ 3.9Å; L495-F562 HydrophobicContact CG-CE1 3.98Å; L495-F562 HydrophobicContact CG-CZ 4.2Å; L495-W565 HydrophobicContact CD1-CH2 3.58Å; L495-W565 HydrophobicContact CD1-CZ3 3.68Å; L495-W570 HydrophobicContact CB-CZ2 4.39Å; L495-W570 HydrophobicContact CD1-CH2 4.09Å; L495-W570 HydrophobicContact CD1-CZ2 4.12Å
496S84.4Confident81.1Confident2 Ų238.4 Ų38.41%0.01420%0.203CC..  trans-72.7120.2178.6174.30000111.6D494 D498 D499 W512D494-S496 PolarHBondContact O-N 3.29Å; S496-D498 PolarHBondContact O-N 2.86Å; S496-D498 VanDerWaalsContact O-N 3.13Å; S496-D498 PolarHBondContact OG-N 3.37Å; S496-D499 WeakPolarHBondContact CB-OD2 3.16Å; S496-D499 PolarHBondContact O-N 3.47Å; S496-D499 PolarHBondContact OG-OD2 2.95Å; S496-W512 VanDerWaalsContact O-CZ3 3.24Å; S496-W512 WeakPolarHBondContact O-CZ3 2.92Å
497E88.2Confident81.1Confident78 Ų7837.2 Ų37.236%0.36420%0.199SC..THydrogen-bonded Turntrans-63.2-18.9178-56.7-170.8-137.900113.1G514 K515 E516 A517 Q551E497-G514 CarbonylContact O-C 3.2Å; E497-G514 WeakPolarHBondContact O-CA 3.33Å; E497-K515 PolarHBondContact O-N 2.81Å; E497-E516 WeakPolarHBondContact O-CA 3.39Å; E497-E516 PolarHBondContact O-N 3.03Å; E497-A517 PolarHBondContact O-N 3.38Å; E497-Q551 VanDerWaalsContact CD-NE2 3.27Å; E497-Q551 PolarHBondContact OE2-NE2 3.39Å
498D82.8Confident82Confident39 Ų3936.8 Ų36.821%0.20920%0.195CC..THydrogen-bonded Turntrans-92.4-10.1-178.1-60.5-22000113.6K478 S496 A517K478-D498 IonicContact NZ-OD2 2.81Å; K478-D498 PolarHBondContact NZ-OD2 2.77Å; S496-D498 PolarHBondContact O-N 2.86Å; S496-D498 VanDerWaalsContact O-N 3.13Å; S496-D498 PolarHBondContact OG-N 3.37Å; D498-A517 VanDerWaalsContact O-CA 3.26Å; D498-A517 WeakPolarHBondContact O-CA 3.42Å
499D87.9Confident83.5Confident0 Ų033 Ų330%016%0.164CC..SBendtrans-130.9179.1-169-59.3-74.5000111.7E474 S476 K478 S496 G514E474-D499 HydrophobicContact CG-CB 4.3Å; S476-D499 WeakPolarHBondContact CB-OD1 3.27Å; S476-D499 PolarHBondContact OG-OD1 3.35Å; K478-D499 WeakPolarHBondContact CE-OD1 3.32Å; K478-D499 WeakPolarHBondContact CE-OD2 3.42Å; K478-D499 IonicContact NZ-OD1 2.73Å; K478-D499 IonicContact NZ-OD2 3.48Å; K478-D499 PolarHBondContact NZ-OD2 3.39Å; S496-D499 WeakPolarHBondContact CB-OD2 3.16Å; S496-D499 PolarHBondContact O-N 3.47Å; S496-D499 PolarHBondContact OG-OD2 2.95Å; D499-G514 PolarHBondContact O-N 2.77Å
500I92.2Very high84.9Confident1 Ų123.8 Ų23.81%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-109.1130.3176.1-60.2-175.2000108.9C475 L511 W512 I513 A517 E521 R522 A525C475-I500 WeakPolarHBondContact CA-O 3.43Å; C475-I500 HydrophobicContact CB-CB 4.19Å; C475-I500 VanDerWaalsContact CB-O 3.24Å; C475-I500 WeakPolarHBondContact CB-O 3.49Å; C475-I500 PolarHBondContact N-O 2.65Å; C475-I500 PolarHBondContact O-N 3.15Å; I500-L511 HydrophobicContact CG2-CD2 4.33Å; I500-W512 CarbonylContact C-O 3.44Å; I500-W512 WeakPolarHBondContact CA-O 3.21Å; I500-W512 WeakPolarHBondContact CG2-O 3.29Å; I500-I513 HydrophobicContact CD1-CG2 4.33Å; I500-I513 HydrophobicContact CG1-CG2 4.17Å; I500-A517 HydrophobicContact CG1-CB 3.99Å; I500-E521 HydrophobicContact CD1-CB 3.98Å; I500-E521 WeakPolarHBondContact CD1-O 3.31Å; I500-E521 HydrophobicContact CG1-CB 4.27Å; I500-R522 HydrophobicContact CD1-CB 3.94Å; I500-R522 HydrophobicContact CD1-CG 3.98Å; I500-R522 VanDerWaalsContact CD1-N 3.32Å; I500-A525 HydrophobicContact CB-CB 4.13Å; I500-A525 HydrophobicContact CD1-CB 3.82Å; I500-A525 HydrophobicContact CG2-CB 3.68Å
501M93.9Very high86.1Confident1 Ų122.7 Ų22.71%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-106.2127.9-179.5-49-60.2-63.700109.4L472 F473 E474 V487 D494 L495 L511 W512L472-M501 HydrophobicContact CD1-CB 4.01Å; L472-M501 HydrophobicContact CD1-CE 4.36Å; L472-M501 HydrophobicContact CD2-CE 3.84Å; L472-M501 HydrophobicContact CG-CE 3.98Å; F473-M501 CarbonylContact O-C 3.32Å; F473-M501 VanDerWaalsContact O-CA 3.3Å; F473-M501 WeakPolarHBondContact O-CA 3.42Å; E474-M501 HydrophobicContact CB-CE 3.81Å; E474-M501 HydrophobicContact CB-SD 3.95Å; E474-M501 HydrophobicContact CG-CE 4.42Å; E474-M501 HydrophobicContact CG-SD 4Å; V487-M501 HydrophobicContact CG2-CE 4.16Å; D494-M501 WeakPolarHBondContact O-CE 3.48Å; L495-M501 HydrophobicContact CD2-CB 3.87Å; L495-M501 HydrophobicContact CD2-CG 3.69Å; M501-L511 CarbonylContact O-C 3.49Å; M501-L511 WeakPolarHBondContact O-CA 3.46Å; M501-W512 HydrophobicContact CB-CB 4.27Å; M501-W512 HydrophobicContact CB-CE3 4.12Å; M501-W512 HydrophobicContact CG-CE3 3.61Å; M501-W512 HydrophobicContact CG-CZ3 4.05Å; M501-W512 PolarHBondContact N-O 2.88Å; M501-W512 PolarHBondContact O-N 2.8Å
502L94.4Very high87.3Confident1 Ų120 Ų201%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-103.1112.4175.9178.8160.8000108.6L472 F473 D504 L509 F510 L511L472-L502 CarbonylContact C-O 3.53Å; L472-L502 WeakPolarHBondContact CA-O 3.37Å; F473-L502 HydrophobicContact CB-CB 4.26Å; F473-L502 HydrophobicContact CB-CD2 4.34Å; F473-L502 HydrophobicContact CD2-CD2 3.52Å; F473-L502 HydrophobicContact CE2-CD2 4.18Å; F473-L502 HydrophobicContact CG-CD2 4.24Å; F473-L502 PolarHBondContact N-O 3.48Å; F473-L502 PolarHBondContact O-N 2.6Å; L502-D504 HydrophobicContact CD2-CB 4.43Å; L502-L509 HydrophobicContact CD1-CD1 4.43Å; L502-L509 HydrophobicContact CD1-CD2 4.22Å; L502-L509 HydrophobicContact CD1-CG 4.47Å; L502-L509 HydrophobicContact CD2-CD1 3.53Å; L502-L509 HydrophobicContact CD2-CG 4.33Å; L502-L509 HydrophobicContact CG-CD1 3.89Å; L502-L509 HydrophobicContact CG-CD2 4.44Å; L502-L509 HydrophobicContact CG-CG 4.15Å; L502-F510 CarbonylContact C-O 3.54Å; L502-F510 VanDerWaalsContact CA-O 3.29Å; L502-F510 WeakPolarHBondContact CA-O 3.36Å; L502-L511 HydrophobicContact CB-CD2 3.87Å; L502-L511 HydrophobicContact CD1-CD2 4.04Å; L502-L511 HydrophobicContact CG-CD2 4.02Å
503L91.8Very high88Confident0 Ų019.7 Ų19.70%010%0.099CC..EExtended strand (participates in β ladder)trans-106.6112.3176.3175.273.7000109.4P470 R471 L472 F490 T505 F510 F558 W561 F562P470-L503 HydrophobicContact CB-CD1 4.1Å; R471-L503 CarbonylContact O-C 3.52Å; R471-L503 WeakPolarHBondContact O-CA 3.26Å; L472-L503 HydrophobicContact CB-CD1 4.27Å; L472-L503 HydrophobicContact CD1-CB 3.85Å; L472-L503 HydrophobicContact CD1-CD1 4.16Å; F490-L503 HydrophobicContact CE1-CD1 4.03Å; F490-L503 HydrophobicContact CE2-CD1 4.05Å; F490-L503 HydrophobicContact CZ-CD1 3.58Å; L503-T505 HydrophobicContact CD2-CG2 4.24Å; L503-T505 HydrophobicContact CG-CG2 4.1Å; L503-F510 HydrophobicContact CB-CB 4.13Å; L503-F510 HydrophobicContact CD2-CD2 4.11Å; L503-F510 HydrophobicContact CG-CD2 4.41Å; L503-F510 PolarHBondContact N-O 3.41Å; L503-F510 PolarHBondContact O-N 2.91Å; L503-F558 HydrophobicContact CB-CE2 4.15Å; L503-F558 HydrophobicContact CD2-CD2 3.8Å; L503-F558 HydrophobicContact CD2-CE2 3.67Å; L503-W561 HydrophobicContact CD2-CB 4.07Å; L503-W561 HydrophobicContact CD2-CG 4.16Å; L503-F562 HydrophobicContact CD2-CE2 4.21Å
504D89.2Confident88.7Confident7 Ų715.6 Ų15.64%0.0378%0.077CC..EExtended strand (participates in β ladder)trans-93.3118.1176.7-178.116.7000110.8P470 R471 F473 L502 W506 L509 Y532 R540P470-D504 CarbonylContact C-O 3.59Å; P470-D504 WeakPolarHBondContact CA-O 3.23Å; R471-D504 PolarHBondContact N-O 3.22Å; R471-D504 PolarHBondContact O-N 3.2Å; F473-D504 HydrophobicContact CE2-CB 4.48Å; L502-D504 HydrophobicContact CD2-CB 4.43Å; D504-W506 WeakPolarHBondContact OD1-CA 3.11Å; D504-W506 PolarHBondContact OD1-N 3.4Å; D504-L509 HydrophobicContact CB-CD1 3.67Å; D504-Y532 HydrophobicContact CB-CE1 4.19Å; D504-Y532 WeakPolarHBondContact OD2-CE1 3.45Å; D504-Y532 PolarHBondContact OD2-OH 3.03Å; D504-R540 VanDerWaalsContact CG-NH1 3.26Å; D504-R540 IonicContact OD1-CZ 3.76Å; D504-R540 IonicContact OD1-NH1 2.77Å; D504-R540 PolarHBondContact OD1-NH1 2.87Å; D504-R540 VanDerWaalsContact OD1-NH1 3.07Å; D504-R540 IonicContact OD1-NH2 3.8Å; D504-R540 PolarHBondContact OD1-NH2 2.94Å; D504-R540 IonicContact OD2-CZ 3.88Å; D504-R540 IonicContact OD2-NH1 2.94Å; D504-R540 PolarHBondContact OD2-NH1 3.34Å; D504-R540 IonicContact OD2-NH2 2.71Å
505T83.8Confident89.2Confident11 Ų1122 Ų227%0.06710%0.103CC..  trans-111.518.6178.364.50000112.3P470 L503 D507 Q508 F510 W561P470-T505 HydrophobicContact CB-CG2 4.32Å; L503-T505 HydrophobicContact CD2-CG2 4.24Å; L503-T505 HydrophobicContact CG-CG2 4.1Å; T505-D507 PolarHBondContact O-N 2.82Å; T505-Q508 PolarHBondContact N-O 2.82Å; T505-Q508 VanDerWaalsContact N-O 3.08Å; T505-Q508 PolarHBondContact OG1-N 2.75Å; T505-Q508 PolarHBondContact OG1-O 3.06Å; T505-F510 HydrophobicContact CG2-CD2 3.95Å; T505-F510 HydrophobicContact CG2-CE2 3.74Å; T505-W561 HydrophobicContact CG2-CD2 4.18Å; T505-W561 HydrophobicContact CG2-CG 4.36Å; T505-W561 HydrophobicContact CG2-CZ2 4.01Å
506W81.8Confident89.1Confident54 Ų5428.1 Ų28.121%0.20513%0.132CC..SBendtrans68.9-52.9-171.8-167.8-99.1000115.1L466 H468 D504 H536 R540L466-W506 HydrophobicContact CD1-CZ2 4.08Å; H468-W506 HydrophobicContact CB-CB 3.74Å; H468-W506 HydrophobicContact CB-CD2 4.4Å; H468-W506 HydrophobicContact CB-CE3 4.41Å; H468-W506 HydrophobicContact CB-CG 4.14Å; H468-W506 AromaticContact CD2-CD1 3.52Å; H468-W506 AromaticContact CD2-CD2 3.14Å; H468-W506 AromaticContact CD2-CE2 3.48Å; H468-W506 VanDerWaalsContact CD2-CE2 3.48Å; H468-W506 AromaticContact CD2-CE3 3.59Å; H468-W506 AromaticContact CD2-CG 3.19Å; H468-W506 AromaticContact CD2-NE1 3.68Å; H468-W506 AromaticContact CE1-CD2 3.71Å; H468-W506 AromaticContact CE1-CE2 3.88Å; H468-W506 AromaticContact CE1-CE3 3.45Å; H468-W506 VanDerWaalsContact CE1-CE3 3.45Å; H468-W506 AromaticContact CE1-CH2 3.59Å; H468-W506 AromaticContact CE1-CZ2 3.85Å; H468-W506 AromaticContact CE1-CZ3 3.36Å; H468-W506 WeakPolarHBondContact CE1-CZ3 3.48Å; H468-W506 AromaticContact CG-CD2 3.6Å; H468-W506 AromaticContact CG-CE3 3.6Å; H468-W506 AromaticContact CG-CG 3.72Å; H468-W506 AromaticContact ND1-CD2 3.92Å; H468-W506 AromaticContact ND1-CE3 3.51Å; H468-W506 AromaticContact ND1-CZ3 3.76Å; H468-W506 AromaticContact NE2-CD2 3.24Å; H468-W506 AromaticContact NE2-CE2 3.16Å; H468-W506 AromaticContact NE2-CE3 3.52Å; H468-W506 AromaticContact NE2-CG 3.81Å; H468-W506 AromaticContact NE2-CH2 3.66Å; H468-W506 AromaticContact NE2-CZ2 3.41Å; H468-W506 WeakPolarHBondContact NE2-CZ2 3.36Å; H468-W506 AromaticContact NE2-CZ3 3.69Å; H468-W506 AromaticContact NE2-NE1 3.66Å; D504-W506 WeakPolarHBondContact OD1-CA 3.11Å; D504-W506 PolarHBondContact OD1-N 3.4Å; W506-H536 AromaticContact CZ3-CE1 3.95Å; W506-R540 VanDerWaalsContact C-NH2 3.27Å; W506-R540 VanDerWaalsContact CA-NH2 3.29Å; W506-R540 VanDerWaalsContact CZ3-CD 3.45Å; W506-R540 HydrophobicContact CZ3-CG 4.41Å; W506-R540 VanDerWaalsContact O-CZ 3.24Å; W506-R540 PolarHBondContact O-NE 3.38Å; W506-R540 PolarHBondContact O-NH2 2.89Å
507D78.1Confident89.2Confident69 Ų6928.4 Ų28.437%0.36913%0.134SC..SBendtrans-86-22.8-176.4-71.4-100.3000113.9R238 T505 T544R238-D507 IonicContact CZ-OD1 2.65Å; R238-D507 IonicContact CZ-OD2 3.77Å; R238-D507 IonicContact NH1-OD1 3.96Å; R238-D507 PolarHBondContact NH1-OD1 3.31Å; R238-D507 IonicContact NH1-OD2 2.57Å; R238-D507 PolarHBondContact NH1-OD2 3.47Å; R238-D507 IonicContact NH2-OD1 3.1Å; R238-D507 IonicContact NH2-OD2 2.63Å; R238-D507 PolarHBondContact NH2-OD2 3.18Å; T505-D507 PolarHBondContact O-N 2.82Å; D507-T544 WeakPolarHBondContact O-CG2 3.4Å
508Q87.2Confident89Confident18 Ų1827.4 Ų27.48%0.08413%0.132CC..  trans-143.9148.4175.6-61.4-175-22.900109.6T505 F510 P545T505-Q508 PolarHBondContact N-O 2.82Å; T505-Q508 VanDerWaalsContact N-O 3.08Å; T505-Q508 PolarHBondContact OG1-N 2.75Å; T505-Q508 PolarHBondContact OG1-O 3.06Å; Q508-F510 HydrophobicContact CB-CE2 4.28Å; Q508-F510 HydrophobicContact CB-CZ 4.48Å; Q508-P545 HydrophobicContact CG-CB 4.32Å
509L92.9Very high89Confident0 Ų031.7 Ų31.70%015%0.15CC..EExtended strand (participates in β ladder)trans-109.7117174.5-163.263.7000108.5L502 D504 S529 Y532 L533 P545 I546 V547L502-L509 HydrophobicContact CD1-CD1 4.43Å; L502-L509 HydrophobicContact CD1-CD2 4.22Å; L502-L509 HydrophobicContact CD1-CG 4.47Å; L502-L509 HydrophobicContact CD2-CD1 3.53Å; L502-L509 HydrophobicContact CD2-CG 4.33Å; L502-L509 HydrophobicContact CG-CD1 3.89Å; L502-L509 HydrophobicContact CG-CD2 4.44Å; L502-L509 HydrophobicContact CG-CG 4.15Å; D504-L509 HydrophobicContact CB-CD1 3.67Å; L509-S529 WeakPolarHBondContact CD2-O 3.43Å; L509-Y532 HydrophobicContact CD1-CD1 4.25Å; L509-Y532 HydrophobicContact CD1-CE1 4.2Å; L509-Y532 HydrophobicContact CD2-CD1 4.24Å; L509-L533 HydrophobicContact CD2-CD1 4.34Å; L509-L533 HydrophobicContact CD2-CD2 4.46Å; L509-L533 HydrophobicContact CD2-CG 4.16Å; L509-P545 PolarHBondContact N-O 2.83Å; L509-I546 HydrophobicContact CB-CG1 4.42Å; L509-I546 CarbonylContact O-C 3.52Å; L509-I546 VanDerWaalsContact O-CA 3.31Å; L509-I546 WeakPolarHBondContact O-CA 3.33Å; L509-V547 PolarHBondContact O-N 2.81Å
510F94.5Very high88.6Confident2 Ų235.7 Ų35.71%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-93.5134.9175.7-61.2-88.4000109.8L502 L503 T505 Q508 V547 I549 F558L502-F510 CarbonylContact C-O 3.54Å; L502-F510 VanDerWaalsContact CA-O 3.29Å; L502-F510 WeakPolarHBondContact CA-O 3.36Å; L503-F510 HydrophobicContact CB-CB 4.13Å; L503-F510 HydrophobicContact CD2-CD2 4.11Å; L503-F510 HydrophobicContact CG-CD2 4.41Å; L503-F510 PolarHBondContact N-O 3.41Å; L503-F510 PolarHBondContact O-N 2.91Å; T505-F510 HydrophobicContact CG2-CD2 3.95Å; T505-F510 HydrophobicContact CG2-CE2 3.74Å; Q508-F510 HydrophobicContact CB-CE2 4.28Å; Q508-F510 HydrophobicContact CB-CZ 4.48Å; F510-V547 CarbonylContact C-O 3.55Å; F510-V547 VanDerWaalsContact CA-O 3.31Å; F510-V547 WeakPolarHBondContact CA-O 3.38Å; F510-V547 HydrophobicContact CD1-CB 3.48Å; F510-V547 VanDerWaalsContact CD1-CB 3.48Å; F510-V547 HydrophobicContact CD1-CG1 3.59Å; F510-V547 HydrophobicContact CD1-CG2 4.08Å; F510-V547 HydrophobicContact CE1-CB 3.82Å; F510-V547 HydrophobicContact CE1-CG1 3.75Å; F510-V547 HydrophobicContact CE1-CG2 3.95Å; F510-V547 HydrophobicContact CG-CB 4.31Å; F510-I549 HydrophobicContact CB-CD1 4.33Å; F510-I549 HydrophobicContact CD1-CD1 3.4Å; F510-I549 VanDerWaalsContact CD1-CD1 3.4Å; F510-I549 HydrophobicContact CD1-CG1 4.39Å; F510-I549 HydrophobicContact CE1-CD1 4.08Å; F510-I549 HydrophobicContact CG-CD1 4.23Å; F510-F558 HydrophobicContact CB-CD2 3.85Å; F510-F558 HydrophobicContact CB-CE2 3.98Å; F510-F558 HydrophobicContact CD1-CB 4.42Å; F510-F558 AromaticContact CD1-CD2 3.92Å; F510-F558 HydrophobicContact CD1-CD2 3.92Å; F510-F558 HydrophobicContact CD2-CD2 4.32Å; F510-F558 HydrophobicContact CE1-CB 4.34Å; F510-F558 AromaticContact CG-CD2 3.77Å; F510-F558 HydrophobicContact CG-CD2 3.77Å; F510-F558 HydrophobicContact CG-CE2 4.39Å
511L95.9Very high88Confident3 Ų335.6 Ų35.62%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-11298.5166.6-69.6177.9000107.5I500 M501 L502 V526 I546 V547 L548 I549I500-L511 HydrophobicContact CG2-CD2 4.33Å; M501-L511 CarbonylContact O-C 3.49Å; M501-L511 WeakPolarHBondContact O-CA 3.46Å; L502-L511 HydrophobicContact CB-CD2 3.87Å; L502-L511 HydrophobicContact CD1-CD2 4.04Å; L502-L511 HydrophobicContact CG-CD2 4.02Å; L511-V526 HydrophobicContact CD1-CG2 4.1Å; L511-I546 HydrophobicContact CD1-CG2 3.93Å; L511-I546 HydrophobicContact CG-CG2 4.21Å; L511-V547 PolarHBondContact N-O 3.44Å; L511-L548 HydrophobicContact CB-CD1 3.92Å; L511-L548 HydrophobicContact CB-CG 4.29Å; L511-L548 HydrophobicContact CD1-CD1 3.73Å; L511-L548 HydrophobicContact CG-CD1 4.38Å; L511-L548 WeakPolarHBondContact O-CA 3.43Å; L511-I549 PolarHBondContact O-N 3.1Å
512W96.1Very high87.6Confident0 Ų039.4 Ų39.40%019%0.188CC..EExtended strand (participates in β ladder)trans-86.3128.9174.4-179.797.6000109.1L495 S496 I500 M501 G514 I549 Q551 E554 F558 W570L495-W512 HydrophobicContact CB-CE3 4.36Å; L495-W512 HydrophobicContact CB-CH2 3.87Å; L495-W512 HydrophobicContact CB-CZ2 4.06Å; L495-W512 HydrophobicContact CB-CZ3 4.03Å; L495-W512 HydrophobicContact CD1-CD2 4.37Å; L495-W512 HydrophobicContact CD1-CZ2 4.24Å; L495-W512 HydrophobicContact CD2-CD2 4.16Å; L495-W512 HydrophobicContact CD2-CE3 4.21Å; L495-W512 HydrophobicContact CD2-CG 4.43Å; S496-W512 VanDerWaalsContact O-CZ3 3.24Å; S496-W512 WeakPolarHBondContact O-CZ3 2.92Å; I500-W512 CarbonylContact C-O 3.44Å; I500-W512 WeakPolarHBondContact CA-O 3.21Å; I500-W512 WeakPolarHBondContact CG2-O 3.29Å; M501-W512 HydrophobicContact CB-CB 4.27Å; M501-W512 HydrophobicContact CB-CE3 4.12Å; M501-W512 HydrophobicContact CG-CE3 3.61Å; M501-W512 HydrophobicContact CG-CZ3 4.05Å; M501-W512 PolarHBondContact N-O 2.88Å; M501-W512 PolarHBondContact O-N 2.8Å; W512-G514 VanDerWaalsContact CZ3-CA 3.46Å; W512-I549 CarbonylContact C-O 3.54Å; W512-I549 WeakPolarHBondContact CA-O 3.46Å; W512-Q551 HydrophobicContact CH2-CB 4.05Å; W512-Q551 HydrophobicContact CH2-CG 4.17Å; W512-Q551 HydrophobicContact CZ2-CB 3.53Å; W512-Q551 HydrophobicContact CZ2-CG 3.67Å; W512-E554 PolarHBondContact NE1-OE1 3.47Å; W512-F558 HydrophobicContact CB-CE2 4.03Å; W512-F558 HydrophobicContact CB-CZ 3.69Å; W512-F558 AromaticContact CD1-CE1 3.58Å; W512-F558 AromaticContact CD1-CZ 3.61Å; W512-F558 HydrophobicContact CG-CE1 4.23Å; W512-F558 AromaticContact CG-CZ 3.81Å; W512-F558 HydrophobicContact CG-CZ 3.81Å; W512-W570 HydrophobicContact CH2-CZ2 4.42Å; W512-W570 HydrophobicContact CZ2-CH2 4Å; W512-W570 AromaticContact CZ2-CZ2 3.7Å; W512-W570 HydrophobicContact CZ2-CZ2 3.7Å
513I93.4Very high87Confident6 Ų645.3 Ų45.33%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-112.3115.8-172.6-51.3166.6000109.5I500 A517 R522 L548 I549 Q551I500-I513 HydrophobicContact CD1-CG2 4.33Å; I500-I513 HydrophobicContact CG1-CG2 4.17Å; I513-A517 HydrophobicContact CG2-CB 3.95Å; I513-R522 HydrophobicContact CD1-CG 4.08Å; I513-R522 HydrophobicContact CG2-CG 4.39Å; I513-R522 VanDerWaalsContact CG2-NH2 3.31Å; I513-L548 HydrophobicContact CD1-CD2 3.81Å; I513-L548 HydrophobicContact CD1-CG 4.04Å; I513-I549 PolarHBondContact N-O 3.39Å; I513-Q551 PolarHBondContact O-N 2.86Å
514G90.1Very high86.4Confident1 Ų149.4 Ų49.41%0.0123%0.233CC..  trans-58.4148.2171.700000112E497 D499 W512 E516 A517E497-G514 CarbonylContact O-C 3.2Å; E497-G514 WeakPolarHBondContact O-CA 3.33Å; D499-G514 PolarHBondContact O-N 2.77Å; W512-G514 VanDerWaalsContact CZ3-CA 3.46Å; G514-E516 PolarHBondContact O-N 3.19Å; G514-A517 VanDerWaalsContact O-CB 3.31Å; G514-A517 WeakPolarHBondContact O-CB 3.49Å; G514-A517 PolarHBondContact O-N 2.9Å
515K88.3Confident86.3Confident163 Ų16349.1 Ų49.171%0.70923%0.232SC*.THydrogen-bonded Turntrans-61.8-32.5-178.5-175.9-179.9177.4-170.70112.6E497 Q551E497-K515 PolarHBondContact O-N 2.81Å; K515-Q551 HydrophobicContact CB-CB 4.41Å; K515-Q551 VanDerWaalsContact CB-OE1 3.22Å
516E83.6Confident86.4Confident135 Ų13551.1 Ų51.163%0.63124%0.244SC*.THydrogen-bonded Turntrans-99.8-0.2-179-53.9-163.1179.900112.7E497 G514 N518E497-E516 WeakPolarHBondContact O-CA 3.39Å; E497-E516 PolarHBondContact O-N 3.03Å; G514-E516 PolarHBondContact O-N 3.19Å; E516-N518 PolarHBondContact O-N 3.37Å
517A87.4Confident86.5Confident8 Ų852.6 Ų52.67%0.06626%0.259CS..  trans-60.9132.3178.700000113.3E497 D498 I500 I513 G514 R522E497-A517 PolarHBondContact O-N 3.38Å; D498-A517 VanDerWaalsContact O-CA 3.26Å; D498-A517 WeakPolarHBondContact O-CA 3.42Å; I500-A517 HydrophobicContact CG1-CB 3.99Å; I513-A517 HydrophobicContact CG2-CB 3.95Å; G514-A517 VanDerWaalsContact O-CB 3.31Å; G514-A517 WeakPolarHBondContact O-CB 3.49Å; G514-A517 PolarHBondContact O-N 2.9Å; A517-R522 PolarHBondContact O-NH2 2.82Å
518N84.1Confident86.8Confident57 Ų5750.8 Ų50.831%0.30525%0.25SC..  trans-80.5160.4-169.671.264000113.1N477 E516 V520 E521 R522N477-N518 PolarHBondContact ND2-OD1 3.44Å; N477-N518 VanDerWaalsContact ND2-OD1 3.15Å; N477-N518 PolarHBondContact OD1-ND2 3.33Å; E516-N518 PolarHBondContact O-N 3.37Å; N518-V520 VanDerWaalsContact C-N 3.26Å; N518-V520 PolarHBondContact O-N 3.46Å; N518-V520 WeakPolarHBondContact OD1-CB 3.14Å; N518-V520 PolarHBondContact OD1-N 3.08Å; N518-E521 VanDerWaalsContact CG-CD 3.5Å; N518-E521 PolarHBondContact N-OE2 3.48Å; N518-E521 VanDerWaalsContact N-OE2 3.11Å; N518-E521 PolarHBondContact ND2-OE1 2.91Å; N518-E521 VanDerWaalsContact ND2-OE1 3.16Å; N518-E521 PolarHBondContact ND2-OE2 2.89Å; N518-E521 PolarHBondContact O-N 3.29Å; N518-E521 PolarHBondContact OD1-N 3.35Å; N518-R522 PolarHBondContact O-N 3.22Å
519E82.2Confident86.9Confident129 Ų12949.9 Ų49.960%0.60325%0.246SC*.Hα-helixtrans-65.8-29.5-175-161.3-167.7157.300112.7R522 K523E519-R522 PolarHBondContact O-N 2.84Å; E519-K523 PolarHBondContact O-N 3.13Å; E519-K523 VanDerWaalsContact O-N 3.1Å; E519-K523 WeakPolarHBondContact OE1-CE 3.22Å; E519-K523 IonicContact OE1-NZ 3.96Å; E519-K523 PolarHBondContact OE1-NZ 3.01Å
520V79.5Confident86.5Confident83 Ų8352.3 Ų52.350%0.50326%0.257SS..Hα-helixtrans-68.7-49.5178.5177.10000109.7N477 N518 R522 K523 E524N477-V520 WeakPolarHBondContact ND2-CG1 3.49Å; N518-V520 VanDerWaalsContact C-N 3.26Å; N518-V520 PolarHBondContact O-N 3.46Å; N518-V520 WeakPolarHBondContact OD1-CB 3.14Å; N518-V520 PolarHBondContact OD1-N 3.08Å; V520-R522 PolarHBondContact O-N 2.89Å; V520-K523 PolarHBondContact O-N 2.57Å; V520-E524 HydrophobicContact CG1-CG 4.23Å; V520-E524 WeakPolarHBondContact O-CB 3.33Å; V520-E524 WeakPolarHBondContact O-CG 3.44Å; V520-E524 PolarHBondContact O-N 3.1Å
521E80.8Confident85.8Confident0 Ų056.5 Ų56.50%028%0.277CS..Hα-helixtrans-54.3-43.2172.6-76.1160.5174.300111N477 F482 I500 N518 K523 E524 A525N477-E521 HydrophobicContact CB-CG 4.1Å; N477-E521 PolarHBondContact N-OE1 3.36Å; N477-E521 PolarHBondContact OD1-OE1 3.32Å; F482-E521 HydrophobicContact CD2-CG 4.45Å; F482-E521 HydrophobicContact CE2-CG 4.46Å; I500-E521 HydrophobicContact CD1-CB 3.98Å; I500-E521 WeakPolarHBondContact CD1-O 3.31Å; I500-E521 HydrophobicContact CG1-CB 4.27Å; N518-E521 VanDerWaalsContact CG-CD 3.5Å; N518-E521 PolarHBondContact N-OE2 3.48Å; N518-E521 VanDerWaalsContact N-OE2 3.11Å; N518-E521 PolarHBondContact ND2-OE1 2.91Å; N518-E521 VanDerWaalsContact ND2-OE1 3.16Å; N518-E521 PolarHBondContact ND2-OE2 2.89Å; N518-E521 PolarHBondContact O-N 3.29Å; N518-E521 PolarHBondContact OD1-N 3.35Å; E521-K523 PolarHBondContact O-N 3.09Å; E521-E524 PolarHBondContact O-N 3.25Å; E521-A525 WeakPolarHBondContact O-CB 3.41Å; E521-A525 PolarHBondContact O-N 2.87Å
522R84.4Confident85.2Confident81 Ų8158 Ų5831%0.30628%0.282SS..Hα-helixtrans-60.1-42.2-179.6-142.3177.5-73.4-119.8-1.1113.1I500 I513 A517 N518 E519 V520 V526I500-R522 HydrophobicContact CD1-CB 3.94Å; I500-R522 HydrophobicContact CD1-CG 3.98Å; I500-R522 VanDerWaalsContact CD1-N 3.32Å; I513-R522 HydrophobicContact CD1-CG 4.08Å; I513-R522 HydrophobicContact CG2-CG 4.39Å; I513-R522 VanDerWaalsContact CG2-NH2 3.31Å; A517-R522 PolarHBondContact O-NH2 2.82Å; N518-R522 PolarHBondContact O-N 3.22Å; E519-R522 PolarHBondContact O-N 2.84Å; V520-R522 PolarHBondContact O-N 2.89Å; R522-V526 WeakPolarHBondContact O-CG2 3.47Å
523K82.3Confident84.5Confident124 Ų12458 Ų5854%0.53928%0.283SS..Hα-helixtrans-71.7-48.1176.6-72.5173.8-176.61650111.7E519 V520 E521 A525 V526 V527E519-K523 PolarHBondContact O-N 3.13Å; E519-K523 VanDerWaalsContact O-N 3.1Å; E519-K523 WeakPolarHBondContact OE1-CE 3.22Å; E519-K523 IonicContact OE1-NZ 3.96Å; E519-K523 PolarHBondContact OE1-NZ 3.01Å; V520-K523 PolarHBondContact O-N 2.57Å; E521-K523 PolarHBondContact O-N 3.09Å; K523-A525 PolarHBondContact O-N 2.79Å; K523-V526 PolarHBondContact O-N 2.8Å; K523-V527 PolarHBondContact O-N 2.84Å
524E79.8Confident83.8Confident86 Ų8664.8 Ų64.840%0.40231%0.308SS..Hα-helixtrans-66.9-35.5-177.1-68.3-60.2147.100112.1F482 V520 E521 V526 V527 T528F482-E524 HydrophobicContact CB-CB 4.45Å; F482-E524 HydrophobicContact CD1-CB 4.1Å; F482-E524 HydrophobicContact CD2-CB 3.48Å; F482-E524 VanDerWaalsContact CD2-CB 3.48Å; F482-E524 HydrophobicContact CD2-CG 4.23Å; F482-E524 HydrophobicContact CE1-CB 4.2Å; F482-E524 HydrophobicContact CE2-CB 3.57Å; F482-E524 HydrophobicContact CG-CB 3.74Å; F482-E524 HydrophobicContact CG-CG 4.31Å; F482-E524 HydrophobicContact CZ-CB 3.93Å; V520-E524 HydrophobicContact CG1-CG 4.23Å; V520-E524 WeakPolarHBondContact O-CB 3.33Å; V520-E524 WeakPolarHBondContact O-CG 3.44Å; V520-E524 PolarHBondContact O-N 3.1Å; E521-E524 PolarHBondContact O-N 3.25Å; E524-V526 PolarHBondContact O-N 2.86Å; E524-V527 PolarHBondContact O-N 3.42Å; E524-T528 WeakPolarHBondContact O-CB 3.21Å; E524-T528 PolarHBondContact O-N 2.9Å; E524-T528 PolarHBondContact O-OG1 3.04Å
525A86Confident82.9Confident1 Ų168.8 Ų68.81%0.00833%0.332CS..Hα-helixtrans-64.7-37.4177.600000112.5C475 F482 I500 E521 K523 T528 S529C475-A525 HydrophobicContact CB-CB 4.42Å; F482-A525 HydrophobicContact CE2-CB 4.47Å; F482-A525 HydrophobicContact CZ-CB 4.18Å; I500-A525 HydrophobicContact CB-CB 4.13Å; I500-A525 HydrophobicContact CD1-CB 3.82Å; I500-A525 HydrophobicContact CG2-CB 3.68Å; E521-A525 WeakPolarHBondContact O-CB 3.41Å; E521-A525 PolarHBondContact O-N 2.87Å; K523-A525 PolarHBondContact O-N 2.79Å; A525-T528 PolarHBondContact O-N 3.21Å; A525-S529 VanDerWaalsContact O-CB 3.27Å; A525-S529 WeakPolarHBondContact O-CB 3.42Å; A525-S529 PolarHBondContact O-N 3.23Å; A525-S529 PolarHBondContact O-OG 2.9Å
526V85.9Confident82.2Confident53 Ų5362 Ų6232%0.32130%0.303SS..Hα-helixtrans-65.4-45.4175.1174.80000110.7L511 R522 K523 E524 S529 Q530 L548L511-V526 HydrophobicContact CD1-CG2 4.1Å; R522-V526 WeakPolarHBondContact O-CG2 3.47Å; K523-V526 PolarHBondContact O-N 2.8Å; E524-V526 PolarHBondContact O-N 2.86Å; V526-S529 PolarHBondContact O-N 2.76Å; V526-S529 PolarHBondContact O-OG 3.19Å; V526-Q530 PolarHBondContact O-N 3.3Å; V526-L548 HydrophobicContact CG2-CD1 4.33Å
527V83.9Confident81Confident86 Ų8659.2 Ų59.252%0.52130%0.297SS..Hα-helixtrans-62.5-47176.8176.90000110.6K523 E524 S529 Q530 E531K523-V527 PolarHBondContact O-N 2.84Å; E524-V527 PolarHBondContact O-N 3.42Å; V527-S529 VanDerWaalsContact C-N 3.31Å; V527-S529 PolarHBondContact O-N 2.87Å; V527-Q530 PolarHBondContact O-N 2.81Å; V527-E531 PolarHBondContact O-N 2.82Å
528T83.9Confident79.8Confident30 Ų3059.1 Ų59.118%0.18430%0.297CS..Hα-helixtrans-61.5-37.9179.2-63.60000112F482 V484 E524 A525 Q530 E531 Y532F482-T528 HydrophobicContact CE1-CG2 3.95Å; F482-T528 WeakPolarHBondContact CE1-OG1 3.34Å; V484-T528 HydrophobicContact CG2-CG2 3.6Å; E524-T528 WeakPolarHBondContact O-CB 3.21Å; E524-T528 PolarHBondContact O-N 2.9Å; E524-T528 PolarHBondContact O-OG1 3.04Å; A525-T528 PolarHBondContact O-N 3.21Å; T528-Q530 VanDerWaalsContact C-N 3.31Å; T528-Q530 PolarHBondContact O-N 3.06Å; T528-E531 PolarHBondContact O-N 3.19Å; T528-Y532 VanDerWaalsContact O-CB 3.25Å; T528-Y532 WeakPolarHBondContact O-CB 3.44Å; T528-Y532 PolarHBondContact O-N 3.41Å
529S89.1Confident78.9Confident0 Ų061.7 Ų61.70%031%0.31CS..Hα-helixtrans-62.9-36.6177.574.70000112.6L509 A525 V526 V527 L533L509-S529 WeakPolarHBondContact CD2-O 3.43Å; A525-S529 VanDerWaalsContact O-CB 3.27Å; A525-S529 WeakPolarHBondContact O-CB 3.42Å; A525-S529 PolarHBondContact O-N 3.23Å; A525-S529 PolarHBondContact O-OG 2.9Å; V526-S529 PolarHBondContact O-N 2.76Å; V526-S529 PolarHBondContact O-OG 3.19Å; V527-S529 VanDerWaalsContact C-N 3.31Å; V527-S529 PolarHBondContact O-N 2.87Å; S529-L533 WeakPolarHBondContact O-CG 3.36Å; S529-L533 PolarHBondContact O-N 2.79Å
530Q84.8Confident78.7Confident50 Ų5055.9 Ų55.923%0.23428%0.283CS..Hα-helixtrans-72.3-40.5174.3-64.4-178.12.300111.5V526 V527 T528 Y532 L533 R534 I546V526-Q530 PolarHBondContact O-N 3.3Å; V527-Q530 PolarHBondContact O-N 2.81Å; T528-Q530 VanDerWaalsContact C-N 3.31Å; T528-Q530 PolarHBondContact O-N 3.06Å; Q530-Y532 VanDerWaalsContact C-N 3.33Å; Q530-L533 PolarHBondContact O-N 3.48Å; Q530-R534 WeakPolarHBondContact O-CG 3.17Å; Q530-R534 PolarHBondContact O-N 3.45Å; Q530-I546 HydrophobicContact CG-CD1 3.98Å
531E80.1Confident78.7Confident91 Ų9154.8 Ų54.843%0.42527%0.274SS..Hα-helixtrans-66.9-36.9177.1-168.660.6-165.700111.8V527 T528 L533 R534 T535V527-E531 PolarHBondContact O-N 2.82Å; T528-E531 PolarHBondContact O-N 3.19Å; E531-L533 VanDerWaalsContact C-N 3.33Å; E531-L533 PolarHBondContact O-N 3.3Å; E531-R534 PolarHBondContact O-N 2.63Å; E531-R534 IonicContact OE2-NH1 3.45Å; E531-T535 HydrophobicContact CG-CG2 4.12Å; E531-T535 WeakPolarHBondContact O-CB 3.32Å; E531-T535 WeakPolarHBondContact O-CG2 3.46Å; E531-T535 PolarHBondContact O-N 2.65Å; E531-T535 PolarHBondContact O-OG1 2.89Å; E531-T535 WeakPolarHBondContact OE1-CG2 3.35Å
532Y83.1Confident78.9Confident34 Ų3457.7 Ų57.713%0.13329%0.293CS..Hα-helixtrans-55.4-48.5172.3176.5-92.8000110.7F473 D504 L509 T528 Q530 H536F473-Y532 HydrophobicContact CE2-CE2 4.06Å; F473-Y532 AromaticContact CZ-CE2 3.97Å; F473-Y532 HydrophobicContact CZ-CE2 3.97Å; D504-Y532 HydrophobicContact CB-CE1 4.19Å; D504-Y532 WeakPolarHBondContact OD2-CE1 3.45Å; D504-Y532 PolarHBondContact OD2-OH 3.03Å; L509-Y532 HydrophobicContact CD1-CD1 4.25Å; L509-Y532 HydrophobicContact CD1-CE1 4.2Å; L509-Y532 HydrophobicContact CD2-CD1 4.24Å; T528-Y532 VanDerWaalsContact O-CB 3.25Å; T528-Y532 WeakPolarHBondContact O-CB 3.44Å; T528-Y532 PolarHBondContact O-N 3.41Å; Q530-Y532 VanDerWaalsContact C-N 3.33Å; Y532-H536 AromaticContact CE1-CD2 3.84Å; Y532-H536 AromaticContact CZ-CD2 3.65Å; Y532-H536 WeakPolarHBondContact O-CA 3.44Å; Y532-H536 VanDerWaalsContact O-CB 3.29Å; Y532-H536 WeakPolarHBondContact O-CB 3.44Å; Y532-H536 PolarHBondContact O-N 3.49Å
533L82.8Confident78.9Confident1 Ų157.3 Ų57.31%0.00530%0.297CS..Hα-helixtrans-62.4-45.9176.2-67.2169.5000111.8L509 S529 Q530 E531 T535 R540 T544 I546L509-L533 HydrophobicContact CD2-CD1 4.34Å; L509-L533 HydrophobicContact CD2-CD2 4.46Å; L509-L533 HydrophobicContact CD2-CG 4.16Å; S529-L533 WeakPolarHBondContact O-CG 3.36Å; S529-L533 PolarHBondContact O-N 2.79Å; Q530-L533 PolarHBondContact O-N 3.48Å; E531-L533 VanDerWaalsContact C-N 3.33Å; E531-L533 PolarHBondContact O-N 3.3Å; L533-T535 VanDerWaalsContact C-N 3.35Å; L533-T535 PolarHBondContact O-N 2.89Å; L533-R540 HydrophobicContact CD2-CB 4.06Å; L533-R540 WeakPolarHBondContact O-CB 3.43Å; L533-T544 HydrophobicContact CD2-CG2 4.22Å; L533-I546 HydrophobicContact CD1-CG1 4.49Å
534R77.4Confident79.2Confident147 Ų14751.9 Ų51.956%0.55527%0.274SS*.Hα-helixtrans-65.3-34.7-178.9-71.5179.9-172.7128.36.7114Q530 E531 P542Q530-R534 WeakPolarHBondContact O-CG 3.17Å; Q530-R534 PolarHBondContact O-N 3.45Å; E531-R534 PolarHBondContact O-N 2.63Å; E531-R534 IonicContact OE2-NH1 3.45Å; R534-P542 HydrophobicContact CG-CB 4.21Å; R534-P542 HydrophobicContact CG-CG 4.28Å
535T71.3Confident79.7Confident86 Ų8648.2 Ų48.253%0.52826%0.258SS..Hα-helixtrans-100.6-0.9-174.760.60000113.1E531 L533E531-T535 HydrophobicContact CG-CG2 4.12Å; E531-T535 WeakPolarHBondContact O-CB 3.32Å; E531-T535 WeakPolarHBondContact O-CG2 3.46Å; E531-T535 PolarHBondContact O-N 2.65Å; E531-T535 PolarHBondContact O-OG1 2.89Å; E531-T535 WeakPolarHBondContact OE1-CG2 3.35Å; L533-T535 VanDerWaalsContact C-N 3.35Å; L533-T535 PolarHBondContact O-N 2.89Å
536H74.1Confident80Confident19 Ų1948.5 Ų48.59%0.08826%0.259CS..  trans-58.7130.1-177.6-166.9-88.7000110.7W506 Y532 G538 D539 R540W506-H536 AromaticContact CZ3-CE1 3.95Å; Y532-H536 AromaticContact CE1-CD2 3.84Å; Y532-H536 AromaticContact CZ-CD2 3.65Å; Y532-H536 WeakPolarHBondContact O-CA 3.44Å; Y532-H536 VanDerWaalsContact O-CB 3.29Å; Y532-H536 WeakPolarHBondContact O-CB 3.44Å; Y532-H536 PolarHBondContact O-N 3.49Å; H536-G538 PolarHBondContact ND1-N 2.88Å; H536-G538 PolarHBondContact O-N 2.92Å; H536-D539 PolarHBondContact O-N 2.82Å; H536-R540 HydrophobicContact CB-CB 3.89Å; H536-R540 HydrophobicContact CB-CG 3.44Å; H536-R540 VanDerWaalsContact CB-CG 3.44Å; H536-R540 WeakPolarHBondContact ND1-CG 3.49Å
537P57.5Low80.4Confident78 Ų7846.2 Ų46.251%0.50625%0.245SC..THydrogen-bonded Turntrans-57.7-26.5-178-26.834.3000114.7L100 D539L100-P537 HydrophobicContact CD1-CB 4.43Å; P537-D539 VanDerWaalsContact C-N 3.26Å; P537-D539 PolarHBondContact O-N 2.8Å
538G62.8Low80.8Confident6 Ų644 Ų446%0.06223%0.23CC..THydrogen-bonded Turntrans-81.712175.800000115.4H536H536-G538 PolarHBondContact ND1-N 2.88Å; H536-G538 PolarHBondContact O-N 2.92Å
539D65.7Low81.2Confident110 Ų11042.5 Ų42.559%0.58822%0.221SC*.  trans5458.1178.1-163.922000111.9Q194 H536 P537Q194-D539 HydrophobicContact CG-CB 4.06Å; Q194-D539 PolarHBondContact NE2-OD2 2.93Å; H536-D539 PolarHBondContact O-N 2.82Å; P537-D539 VanDerWaalsContact C-N 3.26Å; P537-D539 PolarHBondContact O-N 2.8Å
540R77.9Confident81.3Confident8 Ų844.2 Ų44.23%0.0323%0.229CC..  trans-68.9146.4-176.4-68.8-74.1-72.7-77.1-6.1109.9D504 W506 L533 H536 P542D504-R540 VanDerWaalsContact CG-NH1 3.26Å; D504-R540 IonicContact OD1-CZ 3.76Å; D504-R540 IonicContact OD1-NH1 2.77Å; D504-R540 PolarHBondContact OD1-NH1 2.87Å; D504-R540 VanDerWaalsContact OD1-NH1 3.07Å; D504-R540 IonicContact OD1-NH2 3.8Å; D504-R540 PolarHBondContact OD1-NH2 2.94Å; D504-R540 IonicContact OD2-CZ 3.88Å; D504-R540 IonicContact OD2-NH1 2.94Å; D504-R540 PolarHBondContact OD2-NH1 3.34Å; D504-R540 IonicContact OD2-NH2 2.71Å; W506-R540 VanDerWaalsContact C-NH2 3.27Å; W506-R540 VanDerWaalsContact CA-NH2 3.29Å; W506-R540 VanDerWaalsContact CZ3-CD 3.45Å; W506-R540 HydrophobicContact CZ3-CG 4.41Å; W506-R540 VanDerWaalsContact O-CZ 3.24Å; W506-R540 PolarHBondContact O-NE 3.38Å; W506-R540 PolarHBondContact O-NH2 2.89Å; L533-R540 HydrophobicContact CD2-CB 4.06Å; L533-R540 WeakPolarHBondContact O-CB 3.43Å; H536-R540 HydrophobicContact CB-CB 3.89Å; H536-R540 HydrophobicContact CB-CG 3.44Å; H536-R540 VanDerWaalsContact CB-CG 3.44Å; H536-R540 WeakPolarHBondContact ND1-CG 3.49Å; R540-P542 VanDerWaalsContact O-CD 3.26Å; R540-P542 WeakPolarHBondContact O-CD 3.39Å
541D79.7Confident81.6Confident59 Ų5942.8 Ų42.832%0.31622%0.222SC..  trans-67.6120175.4-163.6-50.9000109.7K330 D543 T544K330-D541 WeakPolarHBondContact CE-OD2 3.35Å; K330-D541 VanDerWaalsContact NZ-CG 3.27Å; K330-D541 IonicContact NZ-OD2 3.46Å; K330-D541 PolarHBondContact NZ-OD2 3.4Å; D541-D543 PolarHBondContact O-N 3.3Å; D541-D543 VanDerWaalsContact O-N 3.11Å; D541-D543 WeakPolarHBondContact OD1-CB 3.43Å; D541-D543 PolarHBondContact OD1-N 3.15Å; D541-T544 WeakPolarHBondContact O-CB 2.86Å; D541-T544 PolarHBondContact O-N 3.22Å; D541-T544 PolarHBondContact O-OG1 2.89Å
542P84.3Confident81.8Confident62 Ų6240.7 Ų40.740%0.40323%0.225SC..THydrogen-bonded Turntrans-61.9-18.7179.5-23.435.2000113.8R534 R540 T544R534-P542 HydrophobicContact CG-CB 4.21Å; R534-P542 HydrophobicContact CG-CG 4.28Å; R540-P542 VanDerWaalsContact O-CD 3.26Å; R540-P542 WeakPolarHBondContact O-CD 3.39Å; P542-T544 VanDerWaalsContact C-N 3.29Å
543D85.4Confident81.9Confident72 Ų7243.3 Ų43.339%0.38524%0.237SC..THydrogen-bonded Turntrans-90.111177.6-63.9-31.9000112.3T327 K330 D541T327-D543 HydrophobicContact CG2-CB 4.32Å; T327-D543 WeakPolarHBondContact OG1-CB 3.49Å; T327-D543 PolarHBondContact OG1-O 3.27Å; K330-D543 WeakPolarHBondContact CB-O 3.09Å; K330-D543 HydrophobicContact CG-CB 3.86Å; K330-D543 WeakPolarHBondContact CG-O 3.3Å; D541-D543 PolarHBondContact O-N 3.3Å; D541-D543 VanDerWaalsContact O-N 3.11Å; D541-D543 WeakPolarHBondContact OD1-CB 3.43Å; D541-D543 PolarHBondContact OD1-N 3.15Å
544T88.5Confident82.2Confident11 Ų1144.7 Ų44.77%0.06724%0.243CC..  trans-56.2131.2173.3-60.70000110.3D507 L533 D541 P542 I546D507-T544 WeakPolarHBondContact O-CG2 3.4Å; L533-T544 HydrophobicContact CD2-CG2 4.22Å; D541-T544 WeakPolarHBondContact O-CB 2.86Å; D541-T544 PolarHBondContact O-N 3.22Å; D541-T544 PolarHBondContact O-OG1 2.89Å; P542-T544 VanDerWaalsContact C-N 3.29Å; T544-I546 PolarHBondContact O-N 3.43Å
545P90.1Very high82.5Confident8 Ų837.7 Ų37.75%0.05222%0.217CC..  trans-58.6136.6-178.5-26.435.3000113.1R325 K330 P332 Q508 L509R325-P545 WeakPolarHBondContact O-CA 3.33Å; K330-P545 HydrophobicContact CB-CG 4.35Å; K330-P545 VanDerWaalsContact O-CG 3.23Å; K330-P545 WeakPolarHBondContact O-CG 3.39Å; P332-P545 HydrophobicContact CG-CB 4.31Å; P332-P545 HydrophobicContact CG-CG 4.18Å; Q508-P545 HydrophobicContact CG-CB 4.32Å; L509-P545 PolarHBondContact N-O 2.83Å
546I92.6Very high82.9Confident8 Ų834.3 Ų34.34%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-110.6125.8176.9-58.2167000108.4R325 L509 L511 Q530 L533 T544 L548R325-I546 PolarHBondContact N-O 3.01Å; R325-I546 PolarHBondContact O-N 3Å; L509-I546 HydrophobicContact CB-CG1 4.42Å; L509-I546 CarbonylContact O-C 3.52Å; L509-I546 VanDerWaalsContact O-CA 3.31Å; L509-I546 WeakPolarHBondContact O-CA 3.33Å; L511-I546 HydrophobicContact CD1-CG2 3.93Å; L511-I546 HydrophobicContact CG-CG2 4.21Å; Q530-I546 HydrophobicContact CG-CD1 3.98Å; L533-I546 HydrophobicContact CD1-CG1 4.49Å; T544-I546 PolarHBondContact O-N 3.43Å; I546-L548 HydrophobicContact CG2-CD1 4.3Å
547V93.3Very high83.4Confident5 Ų534.1 Ų34.13%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-113.4111.1-175.8-177.50000109.1V322 Q323 V324 L509 F510 L511 I549V322-V547 HydrophobicContact CG1-CG1 3.64Å; Q323-V547 CarbonylContact O-C 3.55Å; Q323-V547 WeakPolarHBondContact O-CA 3.49Å; V324-V547 HydrophobicContact CG1-CG2 4.03Å; V324-V547 HydrophobicContact CG2-CG1 4.12Å; V324-V547 HydrophobicContact CG2-CG2 4.35Å; L509-V547 PolarHBondContact O-N 2.81Å; F510-V547 CarbonylContact C-O 3.55Å; F510-V547 VanDerWaalsContact CA-O 3.31Å; F510-V547 WeakPolarHBondContact CA-O 3.38Å; F510-V547 HydrophobicContact CD1-CB 3.48Å; F510-V547 VanDerWaalsContact CD1-CB 3.48Å; F510-V547 HydrophobicContact CD1-CG1 3.59Å; F510-V547 HydrophobicContact CD1-CG2 4.08Å; F510-V547 HydrophobicContact CE1-CB 3.82Å; F510-V547 HydrophobicContact CE1-CG1 3.75Å; F510-V547 HydrophobicContact CE1-CG2 3.95Å; F510-V547 HydrophobicContact CG-CB 4.31Å; L511-V547 PolarHBondContact N-O 3.44Å; V547-I549 HydrophobicContact CG1-CD1 4.24Å; V547-I549 HydrophobicContact CG1-CG1 3.99Å
548L93.1Very high84.8Confident38 Ų3830.4 Ų30.420%0.19917%0.173CC..EExtended strand (participates in β ladder)trans-86124173.7-109.376.8000110.3V322 Q323 L511 I513 V526 I546V322-L548 WeakPolarHBondContact CG1-O 3.37Å; Q323-L548 HydrophobicContact CB-CB 4.02Å; Q323-L548 PolarHBondContact N-O 2.85Å; Q323-L548 PolarHBondContact O-N 2.81Å; L511-L548 HydrophobicContact CB-CD1 3.92Å; L511-L548 HydrophobicContact CB-CG 4.29Å; L511-L548 HydrophobicContact CD1-CD1 3.73Å; L511-L548 HydrophobicContact CG-CD1 4.38Å; L511-L548 WeakPolarHBondContact O-CA 3.43Å; I513-L548 HydrophobicContact CD1-CD2 3.81Å; I513-L548 HydrophobicContact CD1-CG 4.04Å; V526-L548 HydrophobicContact CG2-CD1 4.33Å; I546-L548 HydrophobicContact CG2-CD1 4.3Å
549I92.6Very high85.7Confident0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-122.6141.6179.6-61.5167.8000108.4V322 F510 L511 W512 I513 V547 E554 P555 F558V322-I549 HydrophobicContact CG1-CG1 3.93Å; F510-I549 HydrophobicContact CB-CD1 4.33Å; F510-I549 HydrophobicContact CD1-CD1 3.4Å; F510-I549 VanDerWaalsContact CD1-CD1 3.4Å; F510-I549 HydrophobicContact CD1-CG1 4.39Å; F510-I549 HydrophobicContact CE1-CD1 4.08Å; F510-I549 HydrophobicContact CG-CD1 4.23Å; L511-I549 PolarHBondContact O-N 3.1Å; W512-I549 CarbonylContact C-O 3.54Å; W512-I549 WeakPolarHBondContact CA-O 3.46Å; I513-I549 PolarHBondContact N-O 3.39Å; V547-I549 HydrophobicContact CG1-CD1 4.24Å; V547-I549 HydrophobicContact CG1-CG1 3.99Å; I549-E554 HydrophobicContact CG2-CB 4.21Å; I549-E554 HydrophobicContact CG2-CG 3.84Å; I549-P555 HydrophobicContact CD1-CG 4.08Å; I549-P555 HydrophobicContact CG1-CG 4.46Å; I549-F558 HydrophobicContact CD1-CB 3.51Å; I549-F558 HydrophobicContact CD1-CD1 4.26Å; I549-F558 HydrophobicContact CD1-CD2 3.41Å; I549-F558 VanDerWaalsContact CD1-CD2 3.41Å; I549-F558 HydrophobicContact CD1-CE2 4.14Å; I549-F558 HydrophobicContact CD1-CG 3.46Å; I549-F558 VanDerWaalsContact CD1-CG 3.46Å
550K91.5Very high86.2Confident35 Ų3526 Ų2615%0.15215%0.151CC..EExtended strand (participates in β ladder)trans-107145.5172.6-66.1160.2-177.9169.10109.7D314 D319 G552 F553D314-K550 IonicContact OD1-NZ 2.86Å; D314-K550 PolarHBondContact OD1-NZ 3.14Å; D314-K550 IonicContact OD2-NZ 3.37Å; D314-K550 PolarHBondContact OD2-NZ 3.28Å; D319-K550 VanDerWaalsContact CB-NZ 3.28Å; D319-K550 WeakPolarHBondContact O-CD 3.36Å; D319-K550 WeakPolarHBondContact O-CE 3.43Å; D319-K550 PolarHBondContact O-NZ 2.75Å; D319-K550 IonicContact OD1-NZ 3.13Å; K550-G552 PolarHBondContact O-N 2.83Å; K550-F553 HydrophobicContact CB-CD2 4.35Å; K550-F553 PolarHBondContact O-N 3.21Å
551Q91.1Very high86.2Confident21 Ų2128.7 Ų28.710%0.09816%0.161CC..THydrogen-bonded Turntrans-49.1130.1175.1178.7178.6-19.600111.9E497 W512 I513 K515 F553 E554 W570E497-Q551 VanDerWaalsContact CD-NE2 3.27Å; E497-Q551 PolarHBondContact OE2-NE2 3.39Å; W512-Q551 HydrophobicContact CH2-CB 4.05Å; W512-Q551 HydrophobicContact CH2-CG 4.17Å; W512-Q551 HydrophobicContact CZ2-CB 3.53Å; W512-Q551 HydrophobicContact CZ2-CG 3.67Å; I513-Q551 PolarHBondContact O-N 2.86Å; K515-Q551 HydrophobicContact CB-CB 4.41Å; K515-Q551 VanDerWaalsContact CB-OE1 3.22Å; Q551-F553 VanDerWaalsContact C-N 3.31Å; Q551-E554 VanDerWaalsContact CA-OE1 3.3Å; Q551-E554 WeakPolarHBondContact CA-OE1 3.37Å; Q551-W570 HydrophobicContact CG-CD2 4Å; Q551-W570 HydrophobicContact CG-CE3 4.33Å; Q551-W570 HydrophobicContact CG-CG 4.24Å; Q551-W570 HydrophobicContact CG-CZ2 4.48Å
552G83.2Confident86.1Confident47 Ų4726.2 Ų26.249%0.48515%0.147SC..THydrogen-bonded Turntrans85.3-5.8-179.700000115.1K550 E554K550-G552 PolarHBondContact O-N 2.83Å; G552-E554 VanDerWaalsContact C-OE2 3.27Å; G552-E554 VanDerWaalsContact CA-OE2 3.26Å; G552-E554 WeakPolarHBondContact CA-OE2 3.29Å; G552-E554 VanDerWaalsContact N-CD 3.29Å; G552-E554 PolarHBondContact N-OE1 3.27Å; G552-E554 PolarHBondContact N-OE2 3.46Å; G552-E554 VanDerWaalsContact N-OE2 3.13Å
553F86.2Confident85Confident89 Ų8925.9 Ų25.939%0.3916%0.155SC..  trans-120.728.7178.5-60-79.8000111.9E320 V322 K550 Q551E320-F553 HydrophobicContact CB-CD1 3.8Å; E320-F553 HydrophobicContact CB-CE1 3.66Å; E320-F553 HydrophobicContact CB-CG 4.46Å; E320-F553 HydrophobicContact CB-CZ 4.2Å; E320-F553 HydrophobicContact CG-CD1 4.08Å; E320-F553 HydrophobicContact CG-CE1 3.39Å; E320-F553 HydrophobicContact CG-CE2 4.49Å; E320-F553 HydrophobicContact CG-CZ 3.63Å; V322-F553 VanDerWaalsContact CG2-O 3.32Å; V322-F553 WeakPolarHBondContact CG2-O 3.46Å; K550-F553 HydrophobicContact CB-CD2 4.35Å; K550-F553 PolarHBondContact O-N 3.21Å; Q551-F553 VanDerWaalsContact C-N 3.31Å
554E88.3Confident84Confident29 Ų2927 Ų2714%0.13618%0.175CC..  trans-68.8127.6-177.3-58.580.4-17700111.8W512 I549 Q551 G552 F558 T559 W565 W570W512-E554 PolarHBondContact NE1-OE1 3.47Å; I549-E554 HydrophobicContact CG2-CB 4.21Å; I549-E554 HydrophobicContact CG2-CG 3.84Å; Q551-E554 VanDerWaalsContact CA-OE1 3.3Å; Q551-E554 WeakPolarHBondContact CA-OE1 3.37Å; G552-E554 VanDerWaalsContact C-OE2 3.27Å; G552-E554 VanDerWaalsContact CA-OE2 3.26Å; G552-E554 WeakPolarHBondContact CA-OE2 3.29Å; G552-E554 VanDerWaalsContact N-CD 3.29Å; G552-E554 PolarHBondContact N-OE1 3.27Å; G552-E554 PolarHBondContact N-OE2 3.46Å; G552-E554 VanDerWaalsContact N-OE2 3.13Å; E554-F558 HydrophobicContact CB-CD1 3.88Å; E554-F558 HydrophobicContact CG-CD1 3.83Å; E554-F558 HydrophobicContact CG-CE1 3.96Å; E554-T559 HydrophobicContact CB-CG2 3.46Å; E554-T559 VanDerWaalsContact CB-CG2 3.46Å; E554-T559 HydrophobicContact CG-CG2 4.43Å; E554-W565 HydrophobicContact CB-CH2 4.43Å; E554-W565 HydrophobicContact CB-CZ2 4.03Å; E554-W565 HydrophobicContact CG-CH2 3.88Å; E554-W565 HydrophobicContact CG-CZ2 3.74Å; E554-W570 VanDerWaalsContact CD-CZ3 3.47Å; E554-W570 WeakPolarHBondContact OE1-CH2 3.32Å; E554-W570 WeakPolarHBondContact OE1-CZ3 3.28Å; E554-W570 WeakPolarHBondContact OE2-CZ3 3.38Å
555P82.6Confident83.4Confident1 Ų128.6 Ų28.61%0.00618%0.18CC..  trans-74.9159.3176.231.5-34.4000111.4V240 V322 I549 T557 F558 T559V240-P555 HydrophobicContact CG1-CB 3.94Å; V322-P555 HydrophobicContact CG1-CG 4.38Å; V322-P555 HydrophobicContact CG2-CG 4.28Å; I549-P555 HydrophobicContact CD1-CG 4.08Å; I549-P555 HydrophobicContact CG1-CG 4.46Å; P555-T557 PolarHBondContact O-N 2.85Å; P555-T557 VanDerWaalsContact O-N 3.12Å; P555-F558 HydrophobicContact CG-CB 4.04Å; P555-F558 PolarHBondContact O-N 3.33Å; P555-T559 PolarHBondContact O-N 3.19Å; P555-T559 VanDerWaalsContact O-N 3.09Å; P555-T559 PolarHBondContact O-OG1 3.43Å
556P81.3Confident82.4Confident14 Ų1431.7 Ų31.79%0.09120%0.196CC..Hα-helixtrans-53.8-31.9173.3-2735000113.7A234 F558 T559 G560A234-P556 HydrophobicContact CB-CB 3.61Å; P556-F558 PolarHBondContact O-N 3.13Å; P556-T559 WeakPolarHBondContact CA-OG1 3.35Å; P556-G560 PolarHBondContact O-N 2.88Å; P556-G560 VanDerWaalsContact O-N 3.13Å
557T83.8Confident81.3Confident15 Ų1536.5 Ų36.59%0.09223%0.227CC..Hα-helixtrans-67-16.317852.40000114.2A234 V240 P555 W561A234-T557 WeakPolarHBondContact O-CG2 3.39Å; V240-T557 HydrophobicContact CG1-CG2 3.62Å; P555-T557 PolarHBondContact O-N 2.85Å; P555-T557 VanDerWaalsContact O-N 3.12Å; T557-W561 PolarHBondContact O-NE1 3.47Å
558F86.4Confident80.1Confident0 Ų039 Ų390%025%0.245CC..Hα-helixtrans-101.1-51.5174.6176-95.2000111.1L495 L503 F510 W512 I549 E554 P555 P556 G560 W561 F562 W565L495-F558 HydrophobicContact CD1-CE1 4.13Å; L495-F558 HydrophobicContact CD1-CZ 4.37Å; L495-F558 HydrophobicContact CD2-CZ 4.33Å; L503-F558 HydrophobicContact CB-CE2 4.15Å; L503-F558 HydrophobicContact CD2-CD2 3.8Å; L503-F558 HydrophobicContact CD2-CE2 3.67Å; F510-F558 HydrophobicContact CB-CD2 3.85Å; F510-F558 HydrophobicContact CB-CE2 3.98Å; F510-F558 HydrophobicContact CD1-CB 4.42Å; F510-F558 AromaticContact CD1-CD2 3.92Å; F510-F558 HydrophobicContact CD1-CD2 3.92Å; F510-F558 HydrophobicContact CD2-CD2 4.32Å; F510-F558 HydrophobicContact CE1-CB 4.34Å; F510-F558 AromaticContact CG-CD2 3.77Å; F510-F558 HydrophobicContact CG-CD2 3.77Å; F510-F558 HydrophobicContact CG-CE2 4.39Å; W512-F558 HydrophobicContact CB-CE2 4.03Å; W512-F558 HydrophobicContact CB-CZ 3.69Å; W512-F558 AromaticContact CD1-CE1 3.58Å; W512-F558 AromaticContact CD1-CZ 3.61Å; W512-F558 HydrophobicContact CG-CE1 4.23Å; W512-F558 AromaticContact CG-CZ 3.81Å; W512-F558 HydrophobicContact CG-CZ 3.81Å; I549-F558 HydrophobicContact CD1-CB 3.51Å; I549-F558 HydrophobicContact CD1-CD1 4.26Å; I549-F558 HydrophobicContact CD1-CD2 3.41Å; I549-F558 VanDerWaalsContact CD1-CD2 3.41Å; I549-F558 HydrophobicContact CD1-CE2 4.14Å; I549-F558 HydrophobicContact CD1-CG 3.46Å; I549-F558 VanDerWaalsContact CD1-CG 3.46Å; E554-F558 HydrophobicContact CB-CD1 3.88Å; E554-F558 HydrophobicContact CG-CD1 3.83Å; E554-F558 HydrophobicContact CG-CE1 3.96Å; P555-F558 HydrophobicContact CG-CB 4.04Å; P555-F558 PolarHBondContact O-N 3.33Å; P556-F558 PolarHBondContact O-N 3.13Å; F558-G560 PolarHBondContact O-N 3.12Å; F558-G560 VanDerWaalsContact O-N 3.17Å; F558-W561 PolarHBondContact O-N 3.38Å; F558-W561 VanDerWaalsContact O-N 3.08Å; F558-F562 HydrophobicContact CD1-CD2 4.48Å; F558-F562 AromaticContact CD1-CE2 3.83Å; F558-F562 HydrophobicContact CD1-CE2 3.83Å; F558-F562 HydrophobicContact CD2-CE2 4.42Å; F558-F562 HydrophobicContact CE1-CD2 4.27Å; F558-F562 AromaticContact CE1-CE2 3.36Å; F558-F562 HydrophobicContact CE1-CE2 3.36Å; F558-F562 AromaticContact CE1-CZ 3.81Å; F558-F562 HydrophobicContact CE1-CZ 3.81Å; F558-F562 HydrophobicContact CE2-CE2 4.02Å; F558-F562 HydrophobicContact CE2-CZ 4.28Å; F558-F562 HydrophobicContact CG-CE2 4.36Å; F558-F562 AromaticContact CZ-CE2 3.47Å; F558-F562 HydrophobicContact CZ-CE2 3.47Å; F558-F562 VanDerWaalsContact CZ-CE2 3.47Å; F558-F562 AromaticContact CZ-CZ 3.58Å; F558-F562 HydrophobicContact CZ-CZ 3.58Å; F558-F562 WeakPolarHBondContact O-CD2 3.46Å; F558-W565 HydrophobicContact CD1-CH2 4.27Å; F558-W565 AromaticContact CE1-CH2 3.9Å; F558-W565 HydrophobicContact CE1-CH2 3.9Å; F558-W565 HydrophobicContact CE1-CZ3 4.19Å
559T81.8Confident78.9Confident14 Ų1439.3 Ų39.39%0.08625%0.245CC..Hα-helixtrans-61.1-28.7-175.857.20000112.9E554 P555 P556 W561 F562 W565E554-T559 HydrophobicContact CB-CG2 3.46Å; E554-T559 VanDerWaalsContact CB-CG2 3.46Å; E554-T559 HydrophobicContact CG-CG2 4.43Å; P555-T559 PolarHBondContact O-N 3.19Å; P555-T559 VanDerWaalsContact O-N 3.09Å; P555-T559 PolarHBondContact O-OG1 3.43Å; P556-T559 WeakPolarHBondContact CA-OG1 3.35Å; T559-W561 PolarHBondContact O-N 2.97Å; T559-W561 VanDerWaalsContact O-N 3.16Å; T559-F562 PolarHBondContact O-N 3.31Å; T559-F562 VanDerWaalsContact O-N 3.12Å; T559-W565 HydrophobicContact CG2-CD2 3.74Å; T559-W565 HydrophobicContact CG2-CE3 4.29Å; T559-W565 HydrophobicContact CG2-CG 4.16Å; T559-W565 HydrophobicContact CG2-CH2 4.07Å; T559-W565 HydrophobicContact CG2-CZ2 3.53Å; T559-W565 HydrophobicContact CG2-CZ3 4.43Å
560G77.1Confident77.9Confident11 Ų1142 Ų4211%0.11326%0.255CS..THydrogen-bonded Turntrans-64.4-12.117600000116.1P231 P556 F558P231-G560 VanDerWaalsContact C-CA 3.42Å; P231-G560 VanDerWaalsContact O-CA 3.31Å; P231-G560 WeakPolarHBondContact O-CA 3.45Å; P556-G560 PolarHBondContact O-N 2.88Å; P556-G560 VanDerWaalsContact O-N 3.13Å; F558-G560 PolarHBondContact O-N 3.12Å; F558-G560 VanDerWaalsContact O-N 3.17Å
561W77.6Confident76.4Confident64 Ų6445 Ų4524%0.24228%0.28CS..THydrogen-bonded Turntrans-84.1-11.2174.3-65.9112000113.6A235 P470 F490 L503 T505 T557 F558 T559A235-W561 HydrophobicContact CB-CD2 4.17Å; A235-W561 HydrophobicContact CB-CG 4.26Å; A235-W561 HydrophobicContact CB-CZ2 4.34Å; P470-W561 HydrophobicContact CB-CD2 4.33Å; P470-W561 HydrophobicContact CB-CE3 4.04Å; P470-W561 HydrophobicContact CB-CZ3 4.45Å; P470-W561 HydrophobicContact CG-CD2 4.37Å; P470-W561 HydrophobicContact CG-CE3 3.65Å; P470-W561 HydrophobicContact CG-CZ3 4.05Å; F490-W561 WeakPolarHBondContact CE2-O 3.45Å; L503-W561 HydrophobicContact CD2-CB 4.07Å; L503-W561 HydrophobicContact CD2-CG 4.16Å; T505-W561 HydrophobicContact CG2-CD2 4.18Å; T505-W561 HydrophobicContact CG2-CG 4.36Å; T505-W561 HydrophobicContact CG2-CZ2 4.01Å; T557-W561 PolarHBondContact O-NE1 3.47Å; F558-W561 PolarHBondContact O-N 3.38Å; F558-W561 VanDerWaalsContact O-N 3.08Å; T559-W561 PolarHBondContact O-N 2.97Å; T559-W561 VanDerWaalsContact O-N 3.16Å
562F76.6Confident74.4Confident6 Ų647 Ų473%0.02631%0.307CS..SBendtrans-103.3129.1-177.6-63.6-96.4000110.1L472 F490 L495 L503 F558 T559 A564 W565L472-F562 HydrophobicContact CD2-CE1 4.47Å; F490-F562 AromaticContact CD2-CD1 3.68Å; F490-F562 HydrophobicContact CD2-CD1 3.68Å; F490-F562 AromaticContact CD2-CE1 3.53Å; F490-F562 HydrophobicContact CD2-CE1 3.53Å; F490-F562 HydrophobicContact CD2-CG 4.49Å; F490-F562 HydrophobicContact CD2-CZ 4.21Å; F490-F562 AromaticContact CE2-CD1 3.98Å; F490-F562 HydrophobicContact CE2-CD1 3.98Å; F490-F562 AromaticContact CE2-CE1 3.92Å; F490-F562 HydrophobicContact CE2-CE1 3.92Å; F490-F562 HydrophobicContact CE2-CG 4.37Å; F490-F562 HydrophobicContact CE2-CZ 4.21Å; L495-F562 HydrophobicContact CD1-CE1 4.06Å; L495-F562 HydrophobicContact CD1-CZ 4.02Å; L495-F562 HydrophobicContact CD2-CE1 4.01Å; L495-F562 HydrophobicContact CD2-CZ 3.9Å; L495-F562 HydrophobicContact CG-CE1 3.98Å; L495-F562 HydrophobicContact CG-CZ 4.2Å; L503-F562 HydrophobicContact CD2-CE2 4.21Å; F558-F562 HydrophobicContact CD1-CD2 4.48Å; F558-F562 AromaticContact CD1-CE2 3.83Å; F558-F562 HydrophobicContact CD1-CE2 3.83Å; F558-F562 HydrophobicContact CD2-CE2 4.42Å; F558-F562 HydrophobicContact CE1-CD2 4.27Å; F558-F562 AromaticContact CE1-CE2 3.36Å; F558-F562 HydrophobicContact CE1-CE2 3.36Å; F558-F562 AromaticContact CE1-CZ 3.81Å; F558-F562 HydrophobicContact CE1-CZ 3.81Å; F558-F562 HydrophobicContact CE2-CE2 4.02Å; F558-F562 HydrophobicContact CE2-CZ 4.28Å; F558-F562 HydrophobicContact CG-CE2 4.36Å; F558-F562 AromaticContact CZ-CE2 3.47Å; F558-F562 HydrophobicContact CZ-CE2 3.47Å; F558-F562 VanDerWaalsContact CZ-CE2 3.47Å; F558-F562 AromaticContact CZ-CZ 3.58Å; F558-F562 HydrophobicContact CZ-CZ 3.58Å; F558-F562 WeakPolarHBondContact O-CD2 3.46Å; T559-F562 PolarHBondContact O-N 3.31Å; T559-F562 VanDerWaalsContact O-N 3.12Å; F562-A564 PolarHBondContact O-N 2.97Å; F562-W565 HydrophobicContact CB-CE3 3.63Å; F562-W565 HydrophobicContact CB-CZ3 4.14Å; F562-W565 HydrophobicContact CD1-CE3 4.4Å; F562-W565 HydrophobicContact CD1-CZ3 4.1Å; F562-W565 AromaticContact CD2-CE3 3.83Å; F562-W565 HydrophobicContact CD2-CE3 3.83Å; F562-W565 AromaticContact CD2-CZ3 3.55Å; F562-W565 HydrophobicContact CD2-CZ3 3.55Å; F562-W565 HydrophobicContact CE1-CZ3 4.42Å; F562-W565 AromaticContact CE2-CZ3 3.95Å; F562-W565 HydrophobicContact CE2-CZ3 3.95Å; F562-W565 AromaticContact CG-CE3 3.69Å; F562-W565 HydrophobicContact CG-CE3 3.69Å; F562-W565 AromaticContact CG-CZ3 3.65Å; F562-W565 HydrophobicContact CG-CZ3 3.65Å; F562-W565 HydrophobicContact CZ-CZ3 4.36Å
563G62Low72.9Confident55 Ų5547.3 Ų47.357%0.56731%0.31SS*.THydrogen-bonded Turntrans-64123.3174.300000111.1
564A65.4Low71.1Confident97 Ų9748.1 Ų48.180%0.80231%0.314SS*.THydrogen-bonded Turntrans56.353.1175.200000115F562 D566F562-A564 PolarHBondContact O-N 2.97Å; A564-D566 PolarHBondContact O-N 3.11Å
565W74.4Confident69.6Low44 Ų4449.2 Ų49.217%0.16733%0.325CS..  trans-54.7128.8173.9-171-91.1000112.9Q492 L495 E554 F558 T559 F562 P567 W570Q492-W565 HydrophobicContact CB-CE3 3.85Å; Q492-W565 HydrophobicContact CB-CZ3 4.05Å; Q492-W565 HydrophobicContact CG-CD2 4.11Å; Q492-W565 HydrophobicContact CG-CE3 3.61Å; Q492-W565 HydrophobicContact CG-CH2 4Å; Q492-W565 HydrophobicContact CG-CZ2 4.4Å; Q492-W565 HydrophobicContact CG-CZ3 3.57Å; L495-W565 HydrophobicContact CD1-CH2 3.58Å; L495-W565 HydrophobicContact CD1-CZ3 3.68Å; E554-W565 HydrophobicContact CB-CH2 4.43Å; E554-W565 HydrophobicContact CB-CZ2 4.03Å; E554-W565 HydrophobicContact CG-CH2 3.88Å; E554-W565 HydrophobicContact CG-CZ2 3.74Å; F558-W565 HydrophobicContact CD1-CH2 4.27Å; F558-W565 AromaticContact CE1-CH2 3.9Å; F558-W565 HydrophobicContact CE1-CH2 3.9Å; F558-W565 HydrophobicContact CE1-CZ3 4.19Å; T559-W565 HydrophobicContact CG2-CD2 3.74Å; T559-W565 HydrophobicContact CG2-CE3 4.29Å; T559-W565 HydrophobicContact CG2-CG 4.16Å; T559-W565 HydrophobicContact CG2-CH2 4.07Å; T559-W565 HydrophobicContact CG2-CZ2 3.53Å; T559-W565 HydrophobicContact CG2-CZ3 4.43Å; F562-W565 HydrophobicContact CB-CE3 3.63Å; F562-W565 HydrophobicContact CB-CZ3 4.14Å; F562-W565 HydrophobicContact CD1-CE3 4.4Å; F562-W565 HydrophobicContact CD1-CZ3 4.1Å; F562-W565 AromaticContact CD2-CE3 3.83Å; F562-W565 HydrophobicContact CD2-CE3 3.83Å; F562-W565 AromaticContact CD2-CZ3 3.55Å; F562-W565 HydrophobicContact CD2-CZ3 3.55Å; F562-W565 HydrophobicContact CE1-CZ3 4.42Å; F562-W565 AromaticContact CE2-CZ3 3.95Å; F562-W565 HydrophobicContact CE2-CZ3 3.95Å; F562-W565 AromaticContact CG-CE3 3.69Å; F562-W565 HydrophobicContact CG-CE3 3.69Å; F562-W565 AromaticContact CG-CZ3 3.65Å; F562-W565 HydrophobicContact CG-CZ3 3.65Å; F562-W565 HydrophobicContact CZ-CZ3 4.36Å; W565-P567 WeakPolarHBondContact O-CD 3.4Å; W565-W570 AromaticContact CH2-CH2 3.5Å; W565-W570 HydrophobicContact CH2-CH2 3.5Å; W565-W570 HydrophobicContact CH2-CZ3 4.08Å; W565-W570 AromaticContact CZ2-CH2 3.46Å; W565-W570 HydrophobicContact CZ2-CH2 3.46Å; W565-W570 VanDerWaalsContact CZ2-CH2 3.46Å; W565-W570 AromaticContact CZ2-CZ3 3.52Å; W565-W570 HydrophobicContact CZ2-CZ3 3.52Å
566D70.1Confident68.7Low73 Ų7350.2 Ų50.239%0.3933%0.328SS..  trans-102.2106.2171.3-178.93.6000110.1Q492 A564 S568 K569Q492-D566 PolarHBondContact NE2-O 3.39Å; Q492-D566 PolarHBondContact OE1-O 2.84Å; A564-D566 PolarHBondContact O-N 3.11Å; D566-S568 PolarHBondContact O-N 2.79Å; D566-S568 VanDerWaalsContact O-N 3.11Å; D566-S568 WeakPolarHBondContact OD1-CA 3.47Å; D566-S568 WeakPolarHBondContact OD1-CB 3.27Å; D566-S568 PolarHBondContact OD1-N 3.26Å; D566-S568 PolarHBondContact OD1-OG 3.26Å; D566-S568 PolarHBondContact OD2-OG 3Å; D566-K569 HydrophobicContact CB-CB 4.31Å; D566-K569 WeakPolarHBondContact O-CB 3.45Å; D566-K569 PolarHBondContact O-N 2.97Å
567P68.6Low67.9Low108 Ų10856.8 Ų56.870%0.70136%0.358SS*.THydrogen-bonded Turntrans-62.1-17.4176.2-20.332.4000113.7W565W565-P567 WeakPolarHBondContact O-CD 3.4Å
568S68.1Low67.1Low58 Ų5861 Ų6141%0.40638%0.376SS..THydrogen-bonded Turntrans-95.2-6.1-177.675.30000114.3D566 W570 S571 G572D566-S568 PolarHBondContact O-N 2.79Å; D566-S568 VanDerWaalsContact O-N 3.11Å; D566-S568 WeakPolarHBondContact OD1-CA 3.47Å; D566-S568 WeakPolarHBondContact OD1-CB 3.27Å; D566-S568 PolarHBondContact OD1-N 3.26Å; D566-S568 PolarHBondContact OD1-OG 3.26Å; D566-S568 PolarHBondContact OD2-OG 3Å; S568-W570 PolarHBondContact O-N 2.78Å; S568-S571 VanDerWaalsContact C-OG 3.3Å; S568-S571 WeakPolarHBondContact CA-OG 3.34Å; S568-S571 WeakPolarHBondContact CB-OG 3.47Å; S568-S571 CarbonylContact O-C 3.15Å; S568-S571 WeakPolarHBondContact O-CA 3.38Å; S568-S571 PolarHBondContact O-N 2.84Å; S568-S571 PolarHBondContact O-OG 2.82Å; S568-G572 PolarHBondContact O-N 2.8Å
569K69.4Low66.1Low44 Ų4462.6 Ų62.619%0.19139%0.385CS..Hα-helixtrans-45.2-55.7-176.3177.2177.8171.9165.20113.1Q492 D493 D566 S571 G573Q492-K569 VanDerWaalsContact C-NZ 3.26Å; Q492-K569 HydrophobicContact CG-CD 3.7Å; Q492-K569 PolarHBondContact O-NZ 2.8Å; D493-K569 WeakPolarHBondContact OD1-CE 3.29Å; D493-K569 IonicContact OD1-NZ 3.08Å; D493-K569 PolarHBondContact OD1-NZ 2.8Å; D566-K569 HydrophobicContact CB-CB 4.31Å; D566-K569 WeakPolarHBondContact O-CB 3.45Å; D566-K569 PolarHBondContact O-N 2.97Å; K569-S571 VanDerWaalsContact C-N 3.28Å; K569-S571 PolarHBondContact O-N 2.87Å; K569-G573 PolarHBondContact O-N 2.91Å; K569-G573 VanDerWaalsContact O-N 3.07Å
570W69.7Low65.5Low57 Ų5765.8 Ų65.822%0.21640%0.397CS..Hα-helixtrans-85.30.6-178.6-53.7-68.5000114.1Q492 L495 W512 Q551 E554 W565 S568Q492-W570 HydrophobicContact CG-CH2 4.3Å; Q492-W570 HydrophobicContact CG-CZ2 4.29Å; L495-W570 HydrophobicContact CB-CZ2 4.39Å; L495-W570 HydrophobicContact CD1-CH2 4.09Å; L495-W570 HydrophobicContact CD1-CZ2 4.12Å; W512-W570 HydrophobicContact CH2-CZ2 4.42Å; W512-W570 HydrophobicContact CZ2-CH2 4Å; W512-W570 AromaticContact CZ2-CZ2 3.7Å; W512-W570 HydrophobicContact CZ2-CZ2 3.7Å; Q551-W570 HydrophobicContact CG-CD2 4Å; Q551-W570 HydrophobicContact CG-CE3 4.33Å; Q551-W570 HydrophobicContact CG-CG 4.24Å; Q551-W570 HydrophobicContact CG-CZ2 4.48Å; E554-W570 VanDerWaalsContact CD-CZ3 3.47Å; E554-W570 WeakPolarHBondContact OE1-CH2 3.32Å; E554-W570 WeakPolarHBondContact OE1-CZ3 3.28Å; E554-W570 WeakPolarHBondContact OE2-CZ3 3.38Å; W565-W570 AromaticContact CH2-CH2 3.5Å; W565-W570 HydrophobicContact CH2-CH2 3.5Å; W565-W570 HydrophobicContact CH2-CZ3 4.08Å; W565-W570 AromaticContact CZ2-CH2 3.46Å; W565-W570 HydrophobicContact CZ2-CH2 3.46Å; W565-W570 VanDerWaalsContact CZ2-CH2 3.46Å; W565-W570 AromaticContact CZ2-CZ3 3.52Å; W565-W570 HydrophobicContact CZ2-CZ3 3.52Å; S568-W570 PolarHBondContact O-N 2.78Å
571S60.3Low65.1Low97 Ų9771.8 Ų71.868%0.67842%0.42SS*.Hα-helixtrans-102.6-4.3177.869.50000113.7S568 K569S568-S571 VanDerWaalsContact C-OG 3.3Å; S568-S571 WeakPolarHBondContact CA-OG 3.34Å; S568-S571 WeakPolarHBondContact CB-OG 3.47Å; S568-S571 CarbonylContact O-C 3.15Å; S568-S571 WeakPolarHBondContact O-CA 3.38Å; S568-S571 PolarHBondContact O-N 2.84Å; S568-S571 PolarHBondContact O-OG 2.82Å; K569-S571 VanDerWaalsContact C-N 3.28Å; K569-S571 PolarHBondContact O-N 2.87Å
572G50.3Low64.6Low65 Ų6574.2 Ų74.267%0.6743%0.434SS*.Hα-helixtrans-169.78.9-177.300000117.8S568S568-G572 PolarHBondContact O-N 2.8Å
573G50.6Low63.9Low53 Ų5376.5 Ų76.555%0.54645%0.447SS..PPolyproline II helixtrans-68.8135.2170.800000111.4K569 S575K569-G573 PolarHBondContact O-N 2.91Å; K569-G573 VanDerWaalsContact O-N 3.07Å; G573-S575 PolarHBondContact O-N 3.02Å
574K48.7Very low63.5Low106 Ų10676.3 Ų76.346%0.46144%0.444SS..PPolyproline II helixtrans-68125.2177.1-65.3-176-164.8178.90109.6E578 L579 E582K574-E578 WeakPolarHBondContact CA-OE2 3.39Å; K574-E578 HydrophobicContact CB-CB 3.98Å; K574-L579 HydrophobicContact CB-CD2 4.13Å; K574-L579 HydrophobicContact CB-CG 3.91Å; K574-L579 HydrophobicContact CD-CD2 4.3Å; K574-E582 WeakPolarHBondContact CD-OE1 3.48Å; K574-E582 WeakPolarHBondContact CD-OE2 3.37Å; K574-E582 VanDerWaalsContact CE-OE1 3.31Å; K574-E582 WeakPolarHBondContact CE-OE1 3.38Å; K574-E582 IonicContact NZ-OE1 3.49Å; K574-E582 PolarHBondContact NZ-OE1 2.89Å; K574-E582 IonicContact NZ-OE2 2.76Å; K574-E582 PolarHBondContact NZ-OE2 2.81Å
575S57.5Low62.3Low52 Ų5278.6 Ų78.636%0.36444%0.439SS..PPolyproline II helixtrans-61.5162.9176.376.50000111G573 E577 E578 L579G573-S575 PolarHBondContact O-N 3.02Å; S575-E577 PolarHBondContact O-N 3.12Å; S575-E577 PolarHBondContact OG-N 2.9Å; S575-E578 PolarHBondContact N-OE2 3.39Å; S575-E578 PolarHBondContact O-N 3.24Å; S575-E578 WeakPolarHBondContact OG-CG 3.42Å; S575-E578 PolarHBondContact OG-N 3.19Å; S575-E578 VanDerWaalsContact OG-N 3.11Å; S575-L579 PolarHBondContact O-N 2.93Å
576Y62.3Low60.6Low22 Ų2283.6 Ų83.69%0.08647%0.469CS..Hα-helixtrans-53.1-39.2172.2170.9-101.2000111.6N24 R33 M37 V56 E58 L579 K580N24-Y576 PolarHBondContact ND2-OH 3Å; R33-Y576 HydrophobicContact CB-CD2 4.07Å; R33-Y576 HydrophobicContact CB-CE2 3.8Å; M37-Y576 HydrophobicContact CE-CD2 4.34Å; M37-Y576 HydrophobicContact CE-CE2 3.71Å; V56-Y576 VanDerWaalsContact CG1-OH 3.23Å; V56-Y576 WeakPolarHBondContact CG1-OH 3.43Å; E58-Y576 VanDerWaalsContact OE1-CE1 3.32Å; E58-Y576 WeakPolarHBondContact OE1-CE1 3.34Å; E58-Y576 PolarHBondContact OE1-OH 3.29Å; Y576-L579 PolarHBondContact O-N 3.08Å; Y576-K580 HydrophobicContact CE1-CD 4.11Å; Y576-K580 WeakPolarHBondContact O-CB 3.4Å; Y576-K580 PolarHBondContact O-N 3.26Å
577E65.8Low59Low152 Ų15285.9 Ų85.971%0.7148%0.48SS*.Hα-helixtrans-65.9-39.7176.4-63.7-159.815500112.7S575 K580 K581S575-E577 PolarHBondContact O-N 3.12Å; S575-E577 PolarHBondContact OG-N 2.9Å; E577-K580 PolarHBondContact O-N 3.34Å; E577-K581 WeakPolarHBondContact O-CB 3.17Å; E577-K581 PolarHBondContact O-N 3.32Å
578E66.1Low57Low102 Ų10286.4 Ų86.448%0.47748%0.482SS..Hα-helixtrans-67.8-42.9177.6-71.2171.1160.800111.4K574 S575 K581 E582K574-E578 WeakPolarHBondContact CA-OE2 3.39Å; K574-E578 HydrophobicContact CB-CB 3.98Å; S575-E578 PolarHBondContact N-OE2 3.39Å; S575-E578 PolarHBondContact O-N 3.24Å; S575-E578 WeakPolarHBondContact OG-CG 3.42Å; S575-E578 PolarHBondContact OG-N 3.19Å; S575-E578 VanDerWaalsContact OG-N 3.11Å; E578-K581 PolarHBondContact O-N 2.65Å; E578-E582 WeakPolarHBondContact O-CG 3.46Å; E578-E582 PolarHBondContact O-N 2.86Å
579L65.8Low55.1Low35 Ų3589.2 Ų89.218%0.18350%0.499CS..Hα-helixtrans-64.3-41.4174.1-73.8169.7000112L34 K574 S575 Y576 K581 E582 L583L34-L579 HydrophobicContact CD1-CD1 3.76Å; K574-L579 HydrophobicContact CB-CD2 4.13Å; K574-L579 HydrophobicContact CB-CG 3.91Å; K574-L579 HydrophobicContact CD-CD2 4.3Å; S575-L579 PolarHBondContact O-N 2.93Å; Y576-L579 PolarHBondContact O-N 3.08Å; L579-K581 VanDerWaalsContact C-N 3.33Å; L579-K581 PolarHBondContact O-N 2.9Å; L579-E582 PolarHBondContact O-N 2.68Å; L579-L583 WeakPolarHBondContact O-CG 3.4Å; L579-L583 PolarHBondContact O-N 3.49Å
580K68.8Low53Low80 Ų8094.6 Ų94.635%0.34853%0.528SS..Hα-helixtrans-61.9-41.5175177.2-179.8177176.70111.5E58 Y576 E577 L583 G584E58-K580 IonicContact OE1-NZ 3.31Å; E58-K580 PolarHBondContact OE1-NZ 3.4Å; Y576-K580 HydrophobicContact CE1-CD 4.11Å; Y576-K580 WeakPolarHBondContact O-CB 3.4Å; Y576-K580 PolarHBondContact O-N 3.26Å; E577-K580 PolarHBondContact O-N 3.34Å; K580-L583 PolarHBondContact O-N 3.38Å; K580-G584 PolarHBondContact O-N 3Å
581K70.3Confident50.8Low137 Ų13797.2 Ų97.260%0.59655%0.55SS*.Hα-helixtrans-65.6-41.7178.7-168.5179.5179.9-175.30111.8E577 E578 L579 L583 G584E577-K581 WeakPolarHBondContact O-CB 3.17Å; E577-K581 PolarHBondContact O-N 3.32Å; E578-K581 PolarHBondContact O-N 2.65Å; L579-K581 VanDerWaalsContact C-N 3.33Å; L579-K581 PolarHBondContact O-N 2.9Å; K581-L583 PolarHBondContact O-N 3.32Å; K581-G584 PolarHBondContact O-N 2.8Å
582E66.3Low49.4Very low115 Ų115100.3 Ų100.354%0.53756%0.558SS.*Hα-helixtrans-63-27.7175.5-73.9-174.916800113.6K574 E578 L579K574-E582 WeakPolarHBondContact CD-OE1 3.48Å; K574-E582 WeakPolarHBondContact CD-OE2 3.37Å; K574-E582 VanDerWaalsContact CE-OE1 3.31Å; K574-E582 WeakPolarHBondContact CE-OE1 3.38Å; K574-E582 IonicContact NZ-OE1 3.49Å; K574-E582 PolarHBondContact NZ-OE1 2.89Å; K574-E582 IonicContact NZ-OE2 2.76Å; K574-E582 PolarHBondContact NZ-OE2 2.81Å; E578-E582 WeakPolarHBondContact O-CG 3.46Å; E578-E582 PolarHBondContact O-N 2.86Å; L579-E582 PolarHBondContact O-N 2.68Å
583L62.5Low48.2Very low55 Ų55105.2 Ų105.229%0.28856%0.563SS.*Hα-helixtrans-92.5-15.4178.5-65.9168.9000113.3M37 I54 L579 K580 K581M37-L583 HydrophobicContact CE-CD1 4.24Å; M37-L583 HydrophobicContact SD-CD1 3.4Å; M37-L583 WeakPolarHBondContact SD-CD1 3.37Å; I54-L583 HydrophobicContact CB-CD1 4.5Å; I54-L583 HydrophobicContact CB-CD2 4.49Å; I54-L583 HydrophobicContact CG2-CD1 4.35Å; L579-L583 WeakPolarHBondContact O-CG 3.4Å; L579-L583 PolarHBondContact O-N 3.49Å; K580-L583 PolarHBondContact O-N 3.38Å; K581-L583 PolarHBondContact O-N 3.32Å
584G52.3Low47.4Very low50 Ų50109 Ų10952%0.51558%0.576SS.*Hα-helixtrans-94-10.4-174.500000116.2K580 K581K580-G584 PolarHBondContact O-N 3Å; K581-G584 PolarHBondContact O-N 2.8Å
585E40.2Very low46.4Very low145 Ų145113.1 Ų113.168%0.67860%0.597SS**  trans-87.53.1-173.3-80.1-172.9177.300116.1L587E585-L587 VanDerWaalsContact C-N 3.31Å; E585-L587 PolarHBondContact O-N 3.24Å
586D38.9Very low44.9Very low150 Ų150119.5 Ų119.580%0.80262%0.621SS**  trans-89.535.7178.2-89.9-16.2000114.8T588D586-T588 PolarHBondContact O-N 3.18Å
587L36Very low43.4Very low121 Ų121126.9 Ų126.963%0.63466%0.662SS**  trans-96.872.1169.8-71.8174.3000111.4Q67 E585Q67-L587 VanDerWaalsContact OE1-CD2 3.25Å; E585-L587 VanDerWaalsContact C-N 3.31Å; E585-L587 PolarHBondContact O-N 3.24Å
588T26.7Very low41.7Very low119 Ų119124.4 Ų124.473%0.7367%0.667SS**  trans-123.5132.3152.736.20000111D586 I590D586-T588 PolarHBondContact O-N 3.18Å; T588-I590 PolarHBondContact O-N 2.76Å
589P29Very low40.2Very low117 Ų117128.5 Ų128.576%0.7669%0.686SS**  trans-69123.3-179.526.3-30.1000109.8V591P589-V591 VanDerWaalsContact C-N 3.32Å; P589-V591 PolarHBondContact O-N 3.03Å
590I24.5Very low38.6Very low156 Ų156132 Ų13280%0.872%0.72SS**  trans-61.295.2169.1-60.1170.8000107.7T588 L592T588-I590 PolarHBondContact O-N 2.76Å; I590-L592 PolarHBondContact O-N 2.83Å
591V24.1Very low37.2Very low112 Ų112136.3 Ų136.368%0.67974%0.742SS**  trans-67.6117.7152.2176.90000105P589 Q593P589-V591 VanDerWaalsContact C-N 3.32Å; P589-V591 PolarHBondContact O-N 3.03Å; V591-Q593 VanDerWaalsContact C-N 3.25Å; V591-Q593 HydrophobicContact CG1-CG 4.44Å; V591-Q593 PolarHBondContact O-N 3.49Å
592L30.4Very low36.3Very low162 Ų162138.4 Ų138.485%0.84875%0.751SS**  trans-55.691.2169.8-79.1155.9000109.3I590I590-L592 PolarHBondContact O-N 2.83Å
593Q25.7Very low35.8Very low169 Ų169139.3 Ų139.379%0.7977%0.765SS**  trans-119.7107.9152.1-71.8-173-1.600105.2V591 E595V591-Q593 VanDerWaalsContact C-N 3.25Å; V591-Q593 HydrophobicContact CG1-CG 4.44Å; V591-Q593 PolarHBondContact O-N 3.49Å; Q593-E595 PolarHBondContact O-N 2.94Å; Q593-E595 VanDerWaalsContact O-N 3.15Å
594T33Very low36.1Very low133 Ų133140.6 Ų140.682%0.81677%0.768SS**  trans-44.6115164.537.90000109.1
595E27.4Very low37.5Very low192 Ų192144.6 Ų144.690%0.89777%0.773SS**  trans-166.5151.4152.3-106.8160.4-145.200111.6Q593Q593-E595 PolarHBondContact O-N 2.94Å; Q593-E595 VanDerWaalsContact O-N 3.15Å
596E28Very low39.6Very low185 Ų185141.4 Ų141.486%0.86477%0.765SS**  trans-74.9158.2-155.9-6716513900114.8A598E596-A598 PolarHBondContact O-N 3.28Å
597N29Very low41.9Very low178 Ų178135.6 Ų135.695%0.95273%0.733SS**  trans-48.1127.1170-78-20.9000112.2
598A30.1Very low44.4Very low99 Ų99132.8 Ų132.882%0.81872%0.721SS**  trans-138.1113.4160.700000110.4E596E596-A598 PolarHBondContact O-N 3.28Å
599E34.8Very low47.3Very low188 Ų188128.6 Ų128.688%0.87970%0.696SS**  trans-60.3140.7163.3-70.8176.5149.600109.4E601E599-E601 PolarHBondContact O-N 3.44Å
600A33.1Very low50Low108 Ų108128.7 Ų128.789%0.89369%0.69SS**  trans-66.896.8174.300000110.4K602A600-K602 PolarHBondContact O-N 3.04Å
601E37.8Very low52.9Low172 Ų172125.3 Ų125.380%0.80467%0.672SS**  trans-63.6113.9172.3-72.6-175.115700110.8E599 T603E599-E601 PolarHBondContact O-N 3.44Å; E601-T603 PolarHBondContact O-N 3.3Å; E601-T603 VanDerWaalsContact O-N 3.14Å
602K52.6Low55.9Low181 Ų181120 Ų12079%0.78764%0.64SS**  trans-65.4108.6154.7-81.2-176.7178178.70107.1A600 F604A600-K602 PolarHBondContact O-N 3.04Å; K602-F604 HydrophobicContact CB-CE2 4Å; K602-F604 HydrophobicContact CB-CZ 4.41Å; K602-F604 WeakPolarHBondContact O-CD2 3.43Å; K602-F604 WeakPolarHBondContact O-CE2 3.41Å; K602-F604 PolarHBondContact O-N 3.06Å; K602-F604 VanDerWaalsContact O-N 3.1Å
603T54.7Low58.6Low134 Ų134114 Ų11482%0.82261%0.61SS**  trans-70.1105.2-179.1-25.80000109.7E601E601-T603 PolarHBondContact O-N 3.3Å; E601-T603 VanDerWaalsContact O-N 3.14Å
604F70.8Confident61.5Low82 Ų82112 Ų11236%0.3661%0.605SS.*PPolyproline II helixtrans-84.1132.8171.9-67.8-89.1000109.2K602 P606 K631 H632K602-F604 HydrophobicContact CB-CE2 4Å; K602-F604 HydrophobicContact CB-CZ 4.41Å; K602-F604 WeakPolarHBondContact O-CD2 3.43Å; K602-F604 WeakPolarHBondContact O-CE2 3.41Å; K602-F604 PolarHBondContact O-N 3.06Å; K602-F604 VanDerWaalsContact O-N 3.1Å; F604-P606 WeakPolarHBondContact O-CD 3.45Å; F604-K631 VanDerWaalsContact CB-O 3.3Å; F604-K631 WeakPolarHBondContact CB-O 3.22Å; F604-K631 HydrophobicContact CD1-CB 4.01Å; F604-K631 HydrophobicContact CD2-CB 4.04Å; F604-K631 HydrophobicContact CE1-CB 4.15Å; F604-K631 HydrophobicContact CE1-CD 4.03Å; F604-K631 HydrophobicContact CE2-CB 4.2Å; F604-K631 HydrophobicContact CE2-CD 3.89Å; F604-K631 HydrophobicContact CG-CB 3.97Å; F604-K631 HydrophobicContact CZ-CB 4.26Å; F604-K631 HydrophobicContact CZ-CD 3.59Å; F604-H632 AromaticContact CD1-CE1 3.79Å; F604-H632 AromaticContact CD1-NE2 3.75Å
605Q81.6Confident64Low133 Ų133109 Ų10962%0.62158%0.58SS**PPolyproline II helixtrans-66.6123.9173.6-175.4175.5-1.700109.5F607 H632Q605-F607 HydrophobicContact CB-CE2 4.35Å; Q605-F607 HydrophobicContact CG-CE2 4.32Å; Q605-F607 HydrophobicContact CG-CZ 4.28Å; Q605-F607 WeakPolarHBondContact O-CD2 3.39Å; Q605-H632 PolarHBondContact O-ND1 2.9Å; Q605-H632 VanDerWaalsContact O-ND1 3.07Å
606P84.3Confident66.7Low78 Ų78106 Ų10651%0.50657%0.567SS.*PPolyproline II helixtrans-79.5139.2-178.530.3-32.8000111.9F604 H632F604-P606 WeakPolarHBondContact O-CD 3.45Å; P606-H632 CarbonylContact C-O 3.44Å; P606-H632 WeakPolarHBondContact CA-O 3.18Å
607F86.9Confident69.4Low29 Ų29100.6 Ų100.613%0.12755%0.547CS..  trans-123.6148.2173.1-64.6-84.7000110.7Q605 M611 L612 P621 V624 H632Q605-F607 HydrophobicContact CB-CE2 4.35Å; Q605-F607 HydrophobicContact CG-CE2 4.32Å; Q605-F607 HydrophobicContact CG-CZ 4.28Å; Q605-F607 WeakPolarHBondContact O-CD2 3.39Å; F607-M611 HydrophobicContact CD1-SD 4.44Å; F607-L612 HydrophobicContact CB-CD1 4.01Å; F607-L612 HydrophobicContact CB-CD2 4.32Å; F607-L612 HydrophobicContact CB-CG 4.1Å; F607-P621 HydrophobicContact CD1-CB 3.93Å; F607-P621 HydrophobicContact CD1-CG 3.68Å; F607-P621 HydrophobicContact CD2-CG 4.43Å; F607-P621 HydrophobicContact CE1-CB 3.45Å; F607-P621 VanDerWaalsContact CE1-CB 3.45Å; F607-P621 HydrophobicContact CE1-CG 3.77Å; F607-P621 HydrophobicContact CE2-CB 4.12Å; F607-P621 HydrophobicContact CG-CB 4.45Å; F607-P621 HydrophobicContact CG-CG 4.04Å; F607-P621 HydrophobicContact CZ-CB 3.56Å; F607-P621 HydrophobicContact CZ-CG 4.19Å; F607-V624 HydrophobicContact CD2-CG2 3.72Å; F607-V624 HydrophobicContact CE2-CG2 3.48Å; F607-V624 VanDerWaalsContact CE2-CG2 3.48Å; F607-V624 HydrophobicContact CZ-CG2 4.26Å; F607-H632 HydrophobicContact CD2-CB 4.12Å; F607-H632 PolarHBondContact N-O 3.31Å
608P87.8Confident72Confident61 Ų6199.9 Ų99.940%0.39654%0.543SS..  trans-58.3147.5173.7-27.837.8000113.4D610 M611P608-D610 VanDerWaalsContact C-N 3.27Å; P608-D610 WeakPolarHBondContact CB-OD1 3.16Å; P608-D610 PolarHBondContact O-N 2.77Å; P608-M611 PolarHBondContact O-N 3.35Å
609P86.9Confident74.6Confident31 Ų31100.6 Ų100.620%0.20153%0.53CS..G310 helixtrans-54.6-34.9-178.7-28.834.4000115.4M611 L612 V613 L633 D637 V641P609-M611 PolarHBondContact O-N 3.28Å; P609-L612 PolarHBondContact O-N 3.49Å; P609-L612 VanDerWaalsContact O-N 3.09Å; P609-V613 HydrophobicContact CB-CG2 4.27Å; P609-V613 VanDerWaalsContact O-CB 3.28Å; P609-V613 WeakPolarHBondContact O-CB 3.47Å; P609-V613 VanDerWaalsContact O-CG2 3.31Å; P609-V613 WeakPolarHBondContact O-CG2 3.48Å; P609-V613 PolarHBondContact O-N 3.17Å; P609-L633 HydrophobicContact CB-CD2 4.38Å; P609-L633 HydrophobicContact CG-CD2 4.08Å; P609-D637 HydrophobicContact CG-CB 3.79Å; P609-V641 HydrophobicContact CB-CG2 3.98Å; P609-V641 HydrophobicContact CG-CG2 4.04Å
610D87.1Confident77.1Confident119 Ų11992.8 Ų92.864%0.63649%0.494SS*.G310 helixtrans-66.7-18.4-179.760.3-48.8000113.5P608 K615P608-D610 VanDerWaalsContact C-N 3.27Å; P608-D610 WeakPolarHBondContact CB-OD1 3.16Å; P608-D610 PolarHBondContact O-N 2.77Å; D610-K615 WeakPolarHBondContact O-CE 3.2Å
611M85.9Confident79.6Confident85 Ų8588.7 Ų88.742%0.41946%0.458SS..G310 helixtrans-90.2-9.2173.9-61.7-166.578.300114F607 P608 P609 K615 P621F607-M611 HydrophobicContact CD1-SD 4.44Å; P608-M611 PolarHBondContact O-N 3.35Å; P609-M611 PolarHBondContact O-N 3.28Å; M611-K615 WeakPolarHBondContact O-CG 3.5Å; M611-P621 HydrophobicContact CB-CG 4.39Å; M611-P621 HydrophobicContact CE-CG 3.86Å
612L87.1Confident81.6Confident0 Ų090 Ų900%046%0.464CS..THydrogen-bonded Turntrans-122-38.6-173.6-62.5177.7000112.9F607 P609 L620 V624 H632 L633 L666F607-L612 HydrophobicContact CB-CD1 4.01Å; F607-L612 HydrophobicContact CB-CD2 4.32Å; F607-L612 HydrophobicContact CB-CG 4.1Å; P609-L612 PolarHBondContact O-N 3.49Å; P609-L612 VanDerWaalsContact O-N 3.09Å; L612-L620 HydrophobicContact CD2-CD2 4.13Å; L612-V624 HydrophobicContact CD2-CG1 3.8Å; L612-V624 HydrophobicContact CD2-CG2 4.17Å; L612-H632 HydrophobicContact CD1-CB 3.94Å; L612-L633 HydrophobicContact CD1-CD2 3.75Å; L612-L633 HydrophobicContact CD1-CG 4.11Å; L612-L666 HydrophobicContact CB-CD2 3.81Å
613V86.4Confident82.9Confident37 Ų3784.9 Ų84.922%0.22446%0.463CS..THydrogen-bonded Turntrans-75.3126.1-175.6172.80000110.5P609 K615 K664 L666P609-V613 HydrophobicContact CB-CG2 4.27Å; P609-V613 VanDerWaalsContact O-CB 3.28Å; P609-V613 WeakPolarHBondContact O-CB 3.47Å; P609-V613 VanDerWaalsContact O-CG2 3.31Å; P609-V613 WeakPolarHBondContact O-CG2 3.48Å; P609-V613 PolarHBondContact O-N 3.17Å; V613-K615 PolarHBondContact O-N 3.38Å; V613-K664 WeakPolarHBondContact CG1-O 3.24Å; V613-L666 HydrophobicContact CG2-CD1 4.34Å; V613-L666 HydrophobicContact CG2-CD2 3.91Å; V613-L666 HydrophobicContact CG2-CG 4.05Å
614N86Confident84.3Confident126 Ų12679.1 Ų79.167%0.67443%0.427SS*.THydrogen-bonded Turntrans58.723.4-179.5-60.5-49.6000114.8G665N614-G665 PolarHBondContact N-O 2.96Å; N614-G665 WeakPolarHBondContact OD1-CA 3.32Å
615K85.7Confident84.9Confident71 Ų7178.9 Ų78.931%0.30943%0.43SS..  trans-90.6135.2175.2-64.7-60.1-174174.10111.9D610 M611 V613 E619 L620 K629D610-K615 WeakPolarHBondContact O-CE 3.2Å; M611-K615 WeakPolarHBondContact O-CG 3.5Å; V613-K615 PolarHBondContact O-N 3.38Å; K615-E619 HydrophobicContact CB-CB 4.29Å; K615-E619 HydrophobicContact CD-CB 4.19Å; K615-L620 HydrophobicContact CB-CD2 3.79Å; K615-L620 HydrophobicContact CB-CG 4.42Å; K615-K629 PolarHBondContact O-NZ 3.49Å
616Q84.6Confident85Confident130 Ų13075 Ų7561%0.60742%0.416SS*.  trans-71.6158.3171.6-67.8-62.4-26.400110.6D618 E619Q616-D618 PolarHBondContact O-N 3.19Å; Q616-D618 VanDerWaalsContact O-N 3.12Å; Q616-E619 HydrophobicContact CB-CG 4.36Å; Q616-E619 PolarHBondContact N-OE2 2.7Å; Q616-E619 PolarHBondContact O-N 3.42Å
617P84.3Confident84.9Confident71 Ų7174.9 Ų74.946%0.46142%0.418SS..G310 helixtrans-51.4-37-179.1-28.736.1000114.1E619 L620 P626P617-E619 PolarHBondContact O-N 3.45Å; P617-L620 PolarHBondContact O-N 3.45Å; P617-P626 HydrophobicContact CB-CG 4.14Å; P617-P626 HydrophobicContact CG-CB 4.38Å
618D83.9Confident84.9Confident162 Ų16273.9 Ų73.987%0.86642%0.415SS*.G310 helixtrans-74.8-9-179.4-54-33.6000113.8Q616Q616-D618 PolarHBondContact O-N 3.19Å; Q616-D618 VanDerWaalsContact O-N 3.12Å
619E83.7Confident84.9Confident114 Ų11471.4 Ų71.453%0.53340%0.397SS..G310 helixtrans-1070.6-179.6-57.2-178.7138.400112.9K615 Q616 P617K615-E619 HydrophobicContact CB-CB 4.29Å; K615-E619 HydrophobicContact CD-CB 4.19Å; Q616-E619 HydrophobicContact CB-CG 4.36Å; Q616-E619 PolarHBondContact N-OE2 2.7Å; Q616-E619 PolarHBondContact O-N 3.42Å; P617-E619 PolarHBondContact O-N 3.45Å
620L87.8Confident85Confident25 Ų2570.6 Ų70.613%0.13139%0.391CS..SBendtrans-84149.3-178.8-66.8168.5000111.6L612 K615 P617 V624 P626 K629L612-L620 HydrophobicContact CD2-CD2 4.13Å; K615-L620 HydrophobicContact CB-CD2 3.79Å; K615-L620 HydrophobicContact CB-CG 4.42Å; P617-L620 PolarHBondContact O-N 3.45Å; L620-V624 HydrophobicContact CB-CB 4.39Å; L620-V624 HydrophobicContact CD1-CG1 4.39Å; L620-V624 HydrophobicContact CD2-CG1 4.39Å; L620-P626 HydrophobicContact CD1-CB 3.93Å; L620-P626 HydrophobicContact CD1-CG 3.91Å; L620-K629 HydrophobicContact CD1-CD 4.37Å; L620-K629 HydrophobicContact CD1-CG 4.49Å; L620-K629 HydrophobicContact CD2-CD 4.06Å; L620-K629 HydrophobicContact CD2-CG 4.47Å
621P86.8Confident85Confident22 Ų2269.9 Ų69.914%0.14338%0.382CS..PPolyproline II helixtrans-57.3148.5170.9-22.432.5000112.7F607 M611 G623 V624F607-P621 HydrophobicContact CD1-CB 3.93Å; F607-P621 HydrophobicContact CD1-CG 3.68Å; F607-P621 HydrophobicContact CD2-CG 4.43Å; F607-P621 HydrophobicContact CE1-CB 3.45Å; F607-P621 VanDerWaalsContact CE1-CB 3.45Å; F607-P621 HydrophobicContact CE1-CG 3.77Å; F607-P621 HydrophobicContact CE2-CB 4.12Å; F607-P621 HydrophobicContact CG-CB 4.45Å; F607-P621 HydrophobicContact CG-CG 4.04Å; F607-P621 HydrophobicContact CZ-CB 3.56Å; F607-P621 HydrophobicContact CZ-CG 4.19Å; M611-P621 HydrophobicContact CB-CG 4.39Å; M611-P621 HydrophobicContact CE-CG 3.86Å; P621-G623 PolarHBondContact O-N 2.97Å; P621-V624 HydrophobicContact CB-CG2 3.98Å; P621-V624 HydrophobicContact CG-CG2 4.24Å; P621-V624 WeakPolarHBondContact O-CB 3.47Å; P621-V624 PolarHBondContact O-N 2.77Å; P621-V624 VanDerWaalsContact O-N 3.17Å
622E79.5Confident85.1Confident199 Ų19966.4 Ų66.493%0.9337%0.365SS*.THydrogen-bonded Turntrans-58.4127.8178.3-163.6173-172.900110.8
623G78.9Confident85.1Confident73 Ų7366.5 Ų66.575%0.75337%0.365SS*.THydrogen-bonded Turntrans90.40.2-178.300000116P621P621-G623 PolarHBondContact O-N 2.97Å
624V85.1Confident85.2Confident13 Ų1366.4 Ų66.48%0.07937%0.367CS..  trans-85.2122.3172.2176.90000110.4F607 L612 L620 P621 P626 K629F607-V624 HydrophobicContact CD2-CG2 3.72Å; F607-V624 HydrophobicContact CE2-CG2 3.48Å; F607-V624 VanDerWaalsContact CE2-CG2 3.48Å; F607-V624 HydrophobicContact CZ-CG2 4.26Å; L612-V624 HydrophobicContact CD2-CG1 3.8Å; L612-V624 HydrophobicContact CD2-CG2 4.17Å; L620-V624 HydrophobicContact CB-CB 4.39Å; L620-V624 HydrophobicContact CD1-CG1 4.39Å; L620-V624 HydrophobicContact CD2-CG1 4.39Å; P621-V624 HydrophobicContact CB-CG2 3.98Å; P621-V624 HydrophobicContact CG-CG2 4.24Å; P621-V624 WeakPolarHBondContact O-CB 3.47Å; P621-V624 PolarHBondContact O-N 2.77Å; P621-V624 VanDerWaalsContact O-N 3.17Å; V624-P626 WeakPolarHBondContact O-CD 3.32Å; V624-K629 HydrophobicContact CG1-CG 4.32Å
625D82.9Confident85.1Confident78 Ų7865.8 Ų65.842%0.41736%0.363SS..  trans-73.4118.7171.9-179.7-10.8000110S627 A628 K629D625-S627 PolarHBondContact O-N 3.26Å; D625-S627 VanDerWaalsContact O-N 3.11Å; D625-S627 WeakPolarHBondContact OD1-CB 3.3Å; D625-S627 PolarHBondContact OD1-N 2.93Å; D625-S627 PolarHBondContact OD1-OG 2.87Å; D625-S627 PolarHBondContact OD2-OG 2.82Å; D625-S627 VanDerWaalsContact OD2-OG 3.09Å; D625-A628 HydrophobicContact CB-CB 4.15Å; D625-A628 CarbonylContact O-C 3.53Å; D625-A628 PolarHBondContact O-N 3.1Å; D625-K629 PolarHBondContact O-N 2.73Å
626P83.9Confident85Confident51 Ų5166 Ų6633%0.33138%0.378SS..THydrogen-bonded Turntrans-58.1-26.2178.5-21.731.7000113.5P617 L620 V624 K629P617-P626 HydrophobicContact CB-CG 4.14Å; P617-P626 HydrophobicContact CG-CB 4.38Å; L620-P626 HydrophobicContact CD1-CB 3.93Å; L620-P626 HydrophobicContact CD1-CG 3.91Å; V624-P626 WeakPolarHBondContact O-CD 3.32Å; P626-K629 VanDerWaalsContact O-CE 3.28Å; P626-K629 WeakPolarHBondContact O-CE 3.19Å
627S82.2Confident85.2Confident76 Ų7662.1 Ų62.153%0.53136%0.361SS..THydrogen-bonded Turntrans-84.5-9.3178.577.50000113.6D625 K661D625-S627 PolarHBondContact O-N 3.26Å; D625-S627 VanDerWaalsContact O-N 3.11Å; D625-S627 WeakPolarHBondContact OD1-CB 3.3Å; D625-S627 PolarHBondContact OD1-N 2.93Å; D625-S627 PolarHBondContact OD1-OG 2.87Å; D625-S627 PolarHBondContact OD2-OG 2.82Å; D625-S627 VanDerWaalsContact OD2-OG 3.09Å; S627-K661 PolarHBondContact O-NZ 2.71Å
628A86.6Confident85.6Confident8 Ų858.9 Ų58.97%0.06634%0.34CS..  trans-137.732.8-175.100000113.9D625 E630 K631D625-A628 HydrophobicContact CB-CB 4.15Å; D625-A628 CarbonylContact O-C 3.53Å; D625-A628 PolarHBondContact O-N 3.1Å; A628-E630 WeakPolarHBondContact CA-OE2 3.2Å; A628-E630 PolarHBondContact O-N 3.49Å; A628-E630 VanDerWaalsContact O-N 3.08Å; A628-K631 HydrophobicContact CB-CD 4.08Å; A628-K631 HydrophobicContact CB-CG 4.34Å; A628-K631 WeakPolarHBondContact O-CB 3.26Å; A628-K631 PolarHBondContact O-N 2.82Å
629K87.8Confident85.8Confident8 Ų853.2 Ų53.24%0.03532%0.316CS..G310 helixtrans-52.6-32.2-178.6-58.1178.3-166.2173.90113.5K615 L620 V624 D625 P626 K631 H632 L666K615-K629 PolarHBondContact O-NZ 3.49Å; L620-K629 HydrophobicContact CD1-CD 4.37Å; L620-K629 HydrophobicContact CD1-CG 4.49Å; L620-K629 HydrophobicContact CD2-CD 4.06Å; L620-K629 HydrophobicContact CD2-CG 4.47Å; V624-K629 HydrophobicContact CG1-CG 4.32Å; D625-K629 PolarHBondContact O-N 2.73Å; P626-K629 VanDerWaalsContact O-CE 3.28Å; P626-K629 WeakPolarHBondContact O-CE 3.19Å; K629-K631 PolarHBondContact O-N 2.73Å; K629-H632 PolarHBondContact O-N 3.12Å; K629-H632 VanDerWaalsContact O-N 3.16Å; K629-L666 HydrophobicContact CB-CB 4.45Å; K629-L666 HydrophobicContact CB-CD2 3.69Å; K629-L666 HydrophobicContact CD-CD2 4.26Å
630E88.3Confident85.9Confident15 Ų1552.4 Ų52.47%0.0732%0.323CS..G310 helixtrans-64.4-25.1179.976.5-75.4-173.300114.1A628 H632 L633 F638 F642 F649 K661A628-E630 WeakPolarHBondContact CA-OE2 3.2Å; A628-E630 PolarHBondContact O-N 3.49Å; A628-E630 VanDerWaalsContact O-N 3.08Å; E630-H632 PolarHBondContact O-N 3Å; E630-L633 PolarHBondContact O-N 2.88Å; E630-F638 HydrophobicContact CB-CE2 3.94Å; E630-F638 HydrophobicContact CG-CE2 4.25Å; E630-F638 WeakPolarHBondContact O-CD2 3.33Å; E630-F642 HydrophobicContact CB-CE2 3.97Å; E630-F642 HydrophobicContact CB-CZ 4.04Å; E630-F649 HydrophobicContact CG-CE1 4.13Å; E630-F649 HydrophobicContact CG-CZ 4.45Å; E630-K661 HydrophobicContact CG-CD 4.4Å; E630-K661 IonicContact OE1-NZ 2.74Å; E630-K661 PolarHBondContact OE1-NZ 3.38Å; E630-K661 WeakPolarHBondContact OE2-CE 3.4Å; E630-K661 IonicContact OE2-NZ 2.72Å; E630-K661 PolarHBondContact OE2-NZ 3.15Å
631K88Confident85.9Confident104 Ų10452.1 Ų52.145%0.45232%0.322SS..G310 helixtrans-71.6-20.2177.6-62.2-172.5-178.5176.50112.3F604 A628 K629F604-K631 VanDerWaalsContact CB-O 3.3Å; F604-K631 WeakPolarHBondContact CB-O 3.22Å; F604-K631 HydrophobicContact CD1-CB 4.01Å; F604-K631 HydrophobicContact CD2-CB 4.04Å; F604-K631 HydrophobicContact CE1-CB 4.15Å; F604-K631 HydrophobicContact CE1-CD 4.03Å; F604-K631 HydrophobicContact CE2-CB 4.2Å; F604-K631 HydrophobicContact CE2-CD 3.89Å; F604-K631 HydrophobicContact CG-CB 3.97Å; F604-K631 HydrophobicContact CZ-CB 4.26Å; F604-K631 HydrophobicContact CZ-CD 3.59Å; A628-K631 HydrophobicContact CB-CD 4.08Å; A628-K631 HydrophobicContact CB-CG 4.34Å; A628-K631 WeakPolarHBondContact O-CB 3.26Å; A628-K631 PolarHBondContact O-N 2.82Å; K629-K631 PolarHBondContact O-N 2.73Å
632H88Confident86Confident12 Ų1251.7 Ų51.76%0.05632%0.318CS..G310 helixtrans-93.79.3179.3-67.6-87.1000113.3F604 Q605 P606 F607 L612 K629 E630F604-H632 AromaticContact CD1-CE1 3.79Å; F604-H632 AromaticContact CD1-NE2 3.75Å; Q605-H632 PolarHBondContact O-ND1 2.9Å; Q605-H632 VanDerWaalsContact O-ND1 3.07Å; P606-H632 CarbonylContact C-O 3.44Å; P606-H632 WeakPolarHBondContact CA-O 3.18Å; F607-H632 HydrophobicContact CD2-CB 4.12Å; F607-H632 PolarHBondContact N-O 3.31Å; L612-H632 HydrophobicContact CD1-CB 3.94Å; K629-H632 PolarHBondContact O-N 3.12Å; K629-H632 VanDerWaalsContact O-N 3.16Å; E630-H632 PolarHBondContact O-N 3Å
633L87.2Confident86.2Confident1 Ų145.5 Ų45.51%0.00531%0.308CS..SBendtrans-87.6144.1169.8-67.4169.9000110P609 L612 E630 D637 F638 V641 F642 K646 L666P609-L633 HydrophobicContact CB-CD2 4.38Å; P609-L633 HydrophobicContact CG-CD2 4.08Å; L612-L633 HydrophobicContact CD1-CD2 3.75Å; L612-L633 HydrophobicContact CD1-CG 4.11Å; E630-L633 PolarHBondContact O-N 2.88Å; L633-D637 HydrophobicContact CB-CB 4.28Å; L633-D637 HydrophobicContact CD2-CB 4.11Å; L633-F638 HydrophobicContact CB-CB 4.09Å; L633-F638 HydrophobicContact CB-CD2 4.28Å; L633-F638 HydrophobicContact CD1-CD2 4.21Å; L633-V641 HydrophobicContact CD1-CB 4.4Å; L633-V641 HydrophobicContact CD1-CG2 4.33Å; L633-F642 HydrophobicContact CD1-CE2 4.05Å; L633-K646 VanDerWaalsContact O-CE 3.22Å; L633-K646 WeakPolarHBondContact O-CE 3.31Å; L633-K646 PolarHBondContact O-NZ 2.91Å; L633-L666 HydrophobicContact CD1-CD1 3.86Å
634S87.9Confident86.7Confident36 Ų3644.1 Ų44.125%0.25228%0.283SS..  trans-63.3160.7164.277.90000110.1A636 D637 F638S634-A636 PolarHBondContact O-N 3.06Å; S634-D637 PolarHBondContact O-N 3.24Å; S634-D637 WeakPolarHBondContact OG-CB 3.41Å; S634-D637 PolarHBondContact OG-N 3.18Å; S634-D637 VanDerWaalsContact OG-N 3.15Å; S634-D637 PolarHBondContact OG-OD2 3.25Å; S634-F638 VanDerWaalsContact O-CB 3.25Å; S634-F638 WeakPolarHBondContact O-CB 3.47Å; S634-F638 PolarHBondContact O-N 2.75Å
635D83.8Confident86.7Confident112 Ų11245.9 Ų45.960%0.59930%0.296SS*.Hα-helixtrans-62.6-34.8-179.4-65-8.9000112.4A639 K646D635-A639 WeakPolarHBondContact O-CB 3.36Å; D635-A639 PolarHBondContact O-N 3.19Å; D635-K646 VanDerWaalsContact OD1-CD 3.25Å; D635-K646 WeakPolarHBondContact OD1-CD 3.4Å; D635-K646 WeakPolarHBondContact OD1-CE 3.43Å; D635-K646 IonicContact OD1-NZ 3.69Å; D635-K646 PolarHBondContact OD1-NZ 3.22Å
636A83.9Confident86.9Confident75 Ų7545 Ų4562%0.6229%0.288SS*.Hα-helixtrans-66.3-44.1175.200000111.7S634 A639 S640S634-A636 PolarHBondContact O-N 3.06Å; A636-A639 PolarHBondContact O-N 2.95Å; A636-S640 WeakPolarHBondContact O-CB 3.4Å; A636-S640 PolarHBondContact O-N 3.09Å
637D89.2Confident86.8Confident49 Ų4949 Ų4926%0.26231%0.307SS..Hα-helixtrans-69.8-38.1178.2-69.4-41.3000111.8P609 L633 S634 S640 V641P609-D637 HydrophobicContact CG-CB 3.79Å; L633-D637 HydrophobicContact CB-CB 4.28Å; L633-D637 HydrophobicContact CD2-CB 4.11Å; S634-D637 PolarHBondContact O-N 3.24Å; S634-D637 WeakPolarHBondContact OG-CB 3.41Å; S634-D637 PolarHBondContact OG-N 3.18Å; S634-D637 VanDerWaalsContact OG-N 3.15Å; S634-D637 PolarHBondContact OG-OD2 3.25Å; D637-S640 WeakPolarHBondContact O-CB 3.34Å; D637-S640 PolarHBondContact O-N 3.31Å; D637-V641 WeakPolarHBondContact O-CB 3.31Å; D637-V641 VanDerWaalsContact O-CG2 3.25Å; D637-V641 WeakPolarHBondContact O-CG2 3.45Å; D637-V641 PolarHBondContact O-N 2.84Å
638F92.3Very high86.7Confident4 Ų451 Ų512%0.01831%0.309CS..Hα-helixtrans-61.2-48175.3-167.9-78.3000110.8E630 L633 S634 S640 V641 F642 L644 K646 F649E630-F638 HydrophobicContact CB-CE2 3.94Å; E630-F638 HydrophobicContact CG-CE2 4.25Å; E630-F638 WeakPolarHBondContact O-CD2 3.33Å; L633-F638 HydrophobicContact CB-CB 4.09Å; L633-F638 HydrophobicContact CB-CD2 4.28Å; L633-F638 HydrophobicContact CD1-CD2 4.21Å; S634-F638 VanDerWaalsContact O-CB 3.25Å; S634-F638 WeakPolarHBondContact O-CB 3.47Å; S634-F638 PolarHBondContact O-N 2.75Å; F638-S640 VanDerWaalsContact C-N 3.3Å; F638-S640 PolarHBondContact O-N 3.44Å; F638-V641 PolarHBondContact O-N 3.03Å; F638-F642 HydrophobicContact CD1-CB 4.4Å; F638-F642 AromaticContact CD1-CD2 3.96Å; F638-F642 HydrophobicContact CD1-CD2 3.96Å; F638-F642 AromaticContact CD2-CD2 3.94Å; F638-F642 HydrophobicContact CD2-CD2 3.94Å; F638-F642 HydrophobicContact CD2-CE2 4.05Å; F638-F642 HydrophobicContact CE1-CB 4.09Å; F638-F642 AromaticContact CE1-CD2 3.75Å; F638-F642 HydrophobicContact CE1-CD2 3.75Å; F638-F642 HydrophobicContact CE1-CG 4.11Å; F638-F642 AromaticContact CE2-CD2 3.77Å; F638-F642 HydrophobicContact CE2-CD2 3.77Å; F638-F642 AromaticContact CE2-CE2 3.74Å; F638-F642 HydrophobicContact CE2-CE2 3.74Å; F638-F642 HydrophobicContact CG-CD2 4.03Å; F638-F642 AromaticContact CZ-CD2 3.64Å; F638-F642 HydrophobicContact CZ-CD2 3.64Å; F638-F642 AromaticContact CZ-CE2 3.97Å; F638-F642 HydrophobicContact CZ-CE2 3.97Å; F638-F642 HydrophobicContact CZ-CG 4.19Å; F638-F642 WeakPolarHBondContact O-CB 3.26Å; F638-F642 PolarHBondContact O-N 3.09Å; F638-L644 WeakPolarHBondContact CD1-O 3.28Å; F638-L644 HydrophobicContact CE1-CD1 4.43Å; F638-K646 HydrophobicContact CB-CG 4.03Å; F638-K646 HydrophobicContact CD1-CB 4.44Å; F638-K646 HydrophobicContact CD1-CG 3.62Å; F638-K646 HydrophobicContact CD2-CD 4.26Å; F638-K646 HydrophobicContact CD2-CG 3.6Å; F638-K646 HydrophobicContact CE1-CB 4.45Å; F638-K646 HydrophobicContact CE1-CG 3.95Å; F638-K646 HydrophobicContact CE2-CG 3.9Å; F638-K646 HydrophobicContact CG-CD 4.34Å; F638-K646 HydrophobicContact CG-CG 3.45Å; F638-K646 VanDerWaalsContact CG-CG 3.45Å; F638-K646 HydrophobicContact CZ-CG 4.08Å; F638-F649 HydrophobicContact CE1-CB 3.74Å; F638-F649 HydrophobicContact CE1-CD2 4.44Å; F638-F649 HydrophobicContact CE1-CG 4.15Å; F638-F649 HydrophobicContact CZ-CB 3.54Å; F638-F649 AromaticContact CZ-CD1 3.87Å; F638-F649 HydrophobicContact CZ-CD1 3.87Å; F638-F649 AromaticContact CZ-CD2 3.89Å; F638-F649 HydrophobicContact CZ-CD2 3.89Å; F638-F649 AromaticContact CZ-CG 3.51Å; F638-F649 HydrophobicContact CZ-CG 3.51Å
639A87.2Confident86.7Confident43 Ų4350.9 Ų50.936%0.35531%0.307SS..Hα-helixtrans-63.4-36.717600000112D635 A636 G643D635-A639 WeakPolarHBondContact O-CB 3.36Å; D635-A639 PolarHBondContact O-N 3.19Å; A636-A639 PolarHBondContact O-N 2.95Å; A639-G643 WeakPolarHBondContact O-CA 3.27Å; A639-G643 PolarHBondContact O-N 2.96Å
640S87Confident86.4Confident96 Ų9655.6 Ų55.667%0.67134%0.337SS*.Hα-helixtrans-65.3-42.8175.2-175.50000112.5A636 D637 F638A636-S640 WeakPolarHBondContact O-CB 3.4Å; A636-S640 PolarHBondContact O-N 3.09Å; D637-S640 WeakPolarHBondContact O-CB 3.34Å; D637-S640 PolarHBondContact O-N 3.31Å; F638-S640 VanDerWaalsContact C-N 3.3Å; F638-S640 PolarHBondContact O-N 3.44Å
641V88.3Confident86.1Confident20 Ų2059.3 Ų59.312%0.12136%0.364CS..Hα-helixtrans-75.6-48.7-177.5172.70000111.8P609 L633 D637 F638 K664 L666P609-V641 HydrophobicContact CB-CG2 3.98Å; P609-V641 HydrophobicContact CG-CG2 4.04Å; L633-V641 HydrophobicContact CD1-CB 4.4Å; L633-V641 HydrophobicContact CD1-CG2 4.33Å; D637-V641 WeakPolarHBondContact O-CB 3.31Å; D637-V641 VanDerWaalsContact O-CG2 3.25Å; D637-V641 WeakPolarHBondContact O-CG2 3.45Å; D637-V641 PolarHBondContact O-N 2.84Å; F638-V641 PolarHBondContact O-N 3.03Å; V641-K664 HydrophobicContact CG1-CB 3.9Å; V641-K664 HydrophobicContact CG1-CD 4.43Å; V641-K664 HydrophobicContact CG1-CG 4.19Å; V641-K664 VanDerWaalsContact O-CD 3.28Å; V641-K664 WeakPolarHBondContact O-CD 3.31Å; V641-K664 WeakPolarHBondContact O-CE 3.43Å; V641-K664 PolarHBondContact O-NZ 3.27Å; V641-L666 HydrophobicContact CG1-CD1 3.87Å
642F87.3Confident85.7Confident12 Ų1256.1 Ų56.15%0.05335%0.352CS..Hα-helixtrans-94.7-17.1-173.3-69.6-79.5000114.2E630 L633 F638 L644 F649 L660 K661 K664 L666E630-F642 HydrophobicContact CB-CE2 3.97Å; E630-F642 HydrophobicContact CB-CZ 4.04Å; L633-F642 HydrophobicContact CD1-CE2 4.05Å; F638-F642 HydrophobicContact CD1-CB 4.4Å; F638-F642 AromaticContact CD1-CD2 3.96Å; F638-F642 HydrophobicContact CD1-CD2 3.96Å; F638-F642 AromaticContact CD2-CD2 3.94Å; F638-F642 HydrophobicContact CD2-CD2 3.94Å; F638-F642 HydrophobicContact CD2-CE2 4.05Å; F638-F642 HydrophobicContact CE1-CB 4.09Å; F638-F642 AromaticContact CE1-CD2 3.75Å; F638-F642 HydrophobicContact CE1-CD2 3.75Å; F638-F642 HydrophobicContact CE1-CG 4.11Å; F638-F642 AromaticContact CE2-CD2 3.77Å; F638-F642 HydrophobicContact CE2-CD2 3.77Å; F638-F642 AromaticContact CE2-CE2 3.74Å; F638-F642 HydrophobicContact CE2-CE2 3.74Å; F638-F642 HydrophobicContact CG-CD2 4.03Å; F638-F642 AromaticContact CZ-CD2 3.64Å; F638-F642 HydrophobicContact CZ-CD2 3.64Å; F638-F642 AromaticContact CZ-CE2 3.97Å; F638-F642 HydrophobicContact CZ-CE2 3.97Å; F638-F642 HydrophobicContact CZ-CG 4.19Å; F638-F642 WeakPolarHBondContact O-CB 3.26Å; F638-F642 PolarHBondContact O-N 3.09Å; F642-L644 HydrophobicContact CB-CG 4.07Å; F642-L644 PolarHBondContact O-N 3.49Å; F642-F649 HydrophobicContact CD1-CD2 4.36Å; F642-F649 HydrophobicContact CD1-CE2 4.12Å; F642-F649 AromaticContact CE1-CE2 3.92Å; F642-F649 HydrophobicContact CE1-CE2 3.92Å; F642-F649 HydrophobicContact CZ-CE2 4.4Å; F642-L660 HydrophobicContact CD1-CB 4.16Å; F642-L660 HydrophobicContact CE1-CB 4.13Å; F642-K661 HydrophobicContact CE1-CG 4.45Å; F642-K661 HydrophobicContact CZ-CG 4.33Å; F642-K664 HydrophobicContact CD1-CG 4.03Å; F642-K664 HydrophobicContact CE1-CB 4.15Å; F642-K664 HydrophobicContact CE1-CG 4.03Å; F642-L666 HydrophobicContact CE2-CD1 3.58Å; F642-L666 HydrophobicContact CZ-CD1 3.48Å; F642-L666 VanDerWaalsContact CZ-CD1 3.48Å
643G85.3Confident85Confident70 Ų7058.9 Ų58.972%0.72237%0.371SS*.SBendtrans71.215.5-176.200000114.1A639A639-G643 WeakPolarHBondContact O-CA 3.27Å; A639-G643 PolarHBondContact O-N 2.96Å
644L89.3Confident84.6Confident43 Ų4366.1 Ų66.123%0.22540%0.404CS..SBendtrans-153.1158.2-178.457.2104000110.3F638 F642 M648 F649 L660F638-L644 WeakPolarHBondContact CD1-O 3.28Å; F638-L644 HydrophobicContact CE1-CD1 4.43Å; F642-L644 HydrophobicContact CB-CG 4.07Å; F642-L644 PolarHBondContact O-N 3.49Å; L644-M648 HydrophobicContact CD1-CB 4.17Å; L644-F649 HydrophobicContact CD1-CB 3.59Å; L644-F649 HydrophobicContact CD1-CD2 4.2Å; L644-F649 HydrophobicContact CD1-CG 4.42Å; L644-L660 HydrophobicContact CD2-CD1 4.37Å
645S85.1Confident84Confident51 Ų5172.5 Ų72.536%0.35742%0.423SS..  trans-74.5159.6-178.567.90000112.6D647 M648 F649S645-D647 VanDerWaalsContact C-N 3.3Å; S645-D647 PolarHBondContact O-N 2.82Å; S645-M648 PolarHBondContact O-N 2.95Å; S645-M648 WeakPolarHBondContact OG-CG 3.26Å; S645-M648 PolarHBondContact OG-N 2.97Å; S645-F649 PolarHBondContact O-N 2.67Å
646K86.2Confident83.8Confident59 Ų5973.4 Ų73.426%0.25742%0.418SS..Hα-helixtrans-56.8-42.5176.2-74.5-175.9-176.6162.40112.4L633 D635 F638 M648 F649 V650L633-K646 VanDerWaalsContact O-CE 3.22Å; L633-K646 WeakPolarHBondContact O-CE 3.31Å; L633-K646 PolarHBondContact O-NZ 2.91Å; D635-K646 VanDerWaalsContact OD1-CD 3.25Å; D635-K646 WeakPolarHBondContact OD1-CD 3.4Å; D635-K646 WeakPolarHBondContact OD1-CE 3.43Å; D635-K646 IonicContact OD1-NZ 3.69Å; D635-K646 PolarHBondContact OD1-NZ 3.22Å; F638-K646 HydrophobicContact CB-CG 4.03Å; F638-K646 HydrophobicContact CD1-CB 4.44Å; F638-K646 HydrophobicContact CD1-CG 3.62Å; F638-K646 HydrophobicContact CD2-CD 4.26Å; F638-K646 HydrophobicContact CD2-CG 3.6Å; F638-K646 HydrophobicContact CE1-CB 4.45Å; F638-K646 HydrophobicContact CE1-CG 3.95Å; F638-K646 HydrophobicContact CE2-CG 3.9Å; F638-K646 HydrophobicContact CG-CD 4.34Å; F638-K646 HydrophobicContact CG-CG 3.45Å; F638-K646 VanDerWaalsContact CG-CG 3.45Å; F638-K646 HydrophobicContact CZ-CG 4.08Å; K646-M648 VanDerWaalsContact C-N 3.32Å; K646-M648 PolarHBondContact O-N 2.86Å; K646-F649 WeakPolarHBondContact O-CA 3.47Å; K646-F649 WeakPolarHBondContact O-CB 3.44Å; K646-F649 PolarHBondContact O-N 3.45Å; K646-V650 WeakPolarHBondContact O-CG2 3.49Å; K646-V650 PolarHBondContact O-N 3.47Å
647D81.2Confident83.9Confident134 Ų13471.8 Ų71.872%0.71740%0.398SS*.Hα-helixtrans-60.4-43.2178.8-52.5-34.6000111.8S645 F649 V650 S651S645-D647 VanDerWaalsContact C-N 3.3Å; S645-D647 PolarHBondContact O-N 2.82Å; D647-F649 VanDerWaalsContact C-N 3.32Å; D647-F649 PolarHBondContact O-N 2.79Å; D647-V650 PolarHBondContact O-N 2.97Å; D647-S651 PolarHBondContact O-N 3.39Å; D647-S651 VanDerWaalsContact O-N 3.13Å
648M80.3Confident83.6Confident118 Ų11872.7 Ų72.758%0.58140%0.402SS*.Hα-helixtrans-64.4-39.6175.2-73.7-163.27500111.3L644 S645 K646 S651 L652L644-M648 HydrophobicContact CD1-CB 4.17Å; S645-M648 PolarHBondContact O-N 2.95Å; S645-M648 WeakPolarHBondContact OG-CG 3.26Å; S645-M648 PolarHBondContact OG-N 2.97Å; K646-M648 VanDerWaalsContact C-N 3.32Å; K646-M648 PolarHBondContact O-N 2.86Å; M648-S651 PolarHBondContact O-N 3.11Å; M648-S651 PolarHBondContact O-OG 3.01Å; M648-L652 WeakPolarHBondContact O-CG 3.47Å
649F87.1Confident83.4Confident7 Ų778 Ų783%0.03143%0.425CS..Hα-helixtrans-62.9-46.1177.7-176.1-95.2000112.3E630 F638 F642 L644 S645 K646 D647 S651 L652 Q657 L660 K661E630-F649 HydrophobicContact CG-CE1 4.13Å; E630-F649 HydrophobicContact CG-CZ 4.45Å; F638-F649 HydrophobicContact CE1-CB 3.74Å; F638-F649 HydrophobicContact CE1-CD2 4.44Å; F638-F649 HydrophobicContact CE1-CG 4.15Å; F638-F649 HydrophobicContact CZ-CB 3.54Å; F638-F649 AromaticContact CZ-CD1 3.87Å; F638-F649 HydrophobicContact CZ-CD1 3.87Å; F638-F649 AromaticContact CZ-CD2 3.89Å; F638-F649 HydrophobicContact CZ-CD2 3.89Å; F638-F649 AromaticContact CZ-CG 3.51Å; F638-F649 HydrophobicContact CZ-CG 3.51Å; F642-F649 HydrophobicContact CD1-CD2 4.36Å; F642-F649 HydrophobicContact CD1-CE2 4.12Å; F642-F649 AromaticContact CE1-CE2 3.92Å; F642-F649 HydrophobicContact CE1-CE2 3.92Å; F642-F649 HydrophobicContact CZ-CE2 4.4Å; L644-F649 HydrophobicContact CD1-CB 3.59Å; L644-F649 HydrophobicContact CD1-CD2 4.2Å; L644-F649 HydrophobicContact CD1-CG 4.42Å; S645-F649 PolarHBondContact O-N 2.67Å; K646-F649 WeakPolarHBondContact O-CA 3.47Å; K646-F649 WeakPolarHBondContact O-CB 3.44Å; K646-F649 PolarHBondContact O-N 3.45Å; D647-F649 VanDerWaalsContact C-N 3.32Å; D647-F649 PolarHBondContact O-N 2.79Å; F649-S651 VanDerWaalsContact C-N 3.25Å; F649-S651 PolarHBondContact O-N 3.39Å; F649-L652 WeakPolarHBondContact O-CB 3.43Å; F649-L652 PolarHBondContact O-N 2.83Å; F649-L652 VanDerWaalsContact O-N 3.11Å; F649-Q657 HydrophobicContact CD1-CG 4.28Å; F649-Q657 HydrophobicContact CE1-CB 3.95Å; F649-Q657 HydrophobicContact CE1-CG 3.94Å; F649-Q657 HydrophobicContact CE2-CB 4.17Å; F649-Q657 HydrophobicContact CE2-CG 4.37Å; F649-Q657 HydrophobicContact CZ-CB 3.62Å; F649-Q657 HydrophobicContact CZ-CG 3.99Å; F649-Q657 WeakPolarHBondContact O-CG 3.41Å; F649-Q657 PolarHBondContact O-NE2 2.86Å; F649-L660 HydrophobicContact CD2-CD1 4.33Å; F649-L660 HydrophobicContact CE2-CB 4.18Å; F649-L660 HydrophobicContact CE2-CD1 4.28Å; F649-K661 HydrophobicContact CZ-CD 4.08Å; F649-K661 HydrophobicContact CZ-CG 3.96Å
650V81.8Confident83.4Confident107 Ų10777.3 Ų77.365%0.64842%0.416SS*.Hα-helixtrans-63.5-33.5179.5174.60000111.3K646 D647 L652 Q657K646-V650 WeakPolarHBondContact O-CG2 3.49Å; K646-V650 PolarHBondContact O-N 3.47Å; D647-V650 PolarHBondContact O-N 2.97Å; V650-L652 PolarHBondContact O-N 3.45Å; V650-Q657 PolarHBondContact O-NE2 2.57Å; V650-Q657 VanDerWaalsContact O-NE2 3.16Å
651S82Confident83.6Confident92 Ų9273.3 Ų73.364%0.64339%0.386SS*.THydrogen-bonded Turntrans-70.8-12.1176.477.60000114.8D647 M648 F649D647-S651 PolarHBondContact O-N 3.39Å; D647-S651 VanDerWaalsContact O-N 3.13Å; M648-S651 PolarHBondContact O-N 3.11Å; M648-S651 PolarHBondContact O-OG 3.01Å; F649-S651 VanDerWaalsContact C-N 3.25Å; F649-S651 PolarHBondContact O-N 3.39Å
652L80Confident83.4Confident38 Ų3878.3 Ų78.320%0.19941%0.406CS..SBendtrans-77.1147.7178.9-65.2175000111.5M648 F649 V650 Q657 L660M648-L652 WeakPolarHBondContact O-CG 3.47Å; F649-L652 WeakPolarHBondContact O-CB 3.43Å; F649-L652 PolarHBondContact O-N 2.83Å; F649-L652 VanDerWaalsContact O-N 3.11Å; V650-L652 PolarHBondContact O-N 3.45Å; L652-Q657 HydrophobicContact CB-CG 3.97Å; L652-Q657 PolarHBondContact O-NE2 2.86Å; L652-L660 HydrophobicContact CD1-CD1 3.77Å
653P73.1Confident83.5Confident69 Ų6983.4 Ų83.445%0.44843%0.43SS..  trans-55.9143.4169.8-25.534.4000112.6W655 R656 Q657P653-W655 VanDerWaalsContact C-N 3.29Å; P653-W655 PolarHBondContact O-N 2.96Å; P653-W655 VanDerWaalsContact O-N 3.14Å; P653-R656 WeakPolarHBondContact O-CA 3.21Å; P653-R656 WeakPolarHBondContact O-CB 3.46Å; P653-R656 PolarHBondContact O-N 2.75Å; P653-Q657 PolarHBondContact O-N 2.67Å
654Q78.1Confident83.6Confident153 Ų15384 Ų8472%0.71541%0.413SS*.Hα-helixtrans-54.1-39.3-171.9-163.4179.215.400113.9R656 Q657 L658Q654-R656 PolarHBondContact O-N 3.35Å; Q654-Q657 PolarHBondContact O-N 2.71Å; Q654-L658 HydrophobicContact CG-CD1 4.49Å; Q654-L658 WeakPolarHBondContact O-CG 3.43Å; Q654-L658 PolarHBondContact O-N 3.29Å
655W75.4Confident83.3Confident171 Ų17182.4 Ų82.465%0.64841%0.407SS*.Hα-helixtrans-62-31.3177.169.9-95.5000113P653 K659P653-W655 VanDerWaalsContact C-N 3.29Å; P653-W655 PolarHBondContact O-N 2.96Å; P653-W655 VanDerWaalsContact O-N 3.14Å; W655-K659 PolarHBondContact O-N 3.19Å; W655-K659 VanDerWaalsContact O-N 3.17Å
656R79Confident83.3Confident131 Ų13180 Ų8049%0.49439%0.39SS..Hα-helixtrans-81.6-36.3-179.5-165.6167.6-179.2172.70.6111.4P653 Q654 K659 L660P653-R656 WeakPolarHBondContact O-CA 3.21Å; P653-R656 WeakPolarHBondContact O-CB 3.46Å; P653-R656 PolarHBondContact O-N 2.75Å; Q654-R656 PolarHBondContact O-N 3.35Å; R656-K659 PolarHBondContact O-N 2.94Å; R656-L660 WeakPolarHBondContact O-CG 3.07Å; R656-L660 PolarHBondContact O-N 3.34Å; R656-L660 VanDerWaalsContact O-N 3.08Å
657Q85.9Confident82.9Confident41 Ų4183.5 Ų83.519%0.19241%0.405CS..Hα-helixtrans-59.4-48.1169.8-64-176.619.900111F649 V650 L652 P653 Q654 K659 L660 K661F649-Q657 HydrophobicContact CD1-CG 4.28Å; F649-Q657 HydrophobicContact CE1-CB 3.95Å; F649-Q657 HydrophobicContact CE1-CG 3.94Å; F649-Q657 HydrophobicContact CE2-CB 4.17Å; F649-Q657 HydrophobicContact CE2-CG 4.37Å; F649-Q657 HydrophobicContact CZ-CB 3.62Å; F649-Q657 HydrophobicContact CZ-CG 3.99Å; F649-Q657 WeakPolarHBondContact O-CG 3.41Å; F649-Q657 PolarHBondContact O-NE2 2.86Å; V650-Q657 PolarHBondContact O-NE2 2.57Å; V650-Q657 VanDerWaalsContact O-NE2 3.16Å; L652-Q657 HydrophobicContact CB-CG 3.97Å; L652-Q657 PolarHBondContact O-NE2 2.86Å; P653-Q657 PolarHBondContact O-N 2.67Å; Q654-Q657 PolarHBondContact O-N 2.71Å; Q657-K659 VanDerWaalsContact C-N 3.33Å; Q657-K659 PolarHBondContact O-N 3.26Å; Q657-L660 PolarHBondContact O-N 2.99Å; Q657-K661 WeakPolarHBondContact O-CG 3.28Å; Q657-K661 PolarHBondContact O-N 3.06Å
658L84.8Confident83Confident68 Ų6881 Ų8136%0.35639%0.39SS..Hα-helixtrans-61.2-39.6177.7-71.4170.5000112.7Q654 K661 K662 F667Q654-L658 HydrophobicContact CG-CD1 4.49Å; Q654-L658 WeakPolarHBondContact O-CG 3.43Å; Q654-L658 PolarHBondContact O-N 3.29Å; L658-K661 PolarHBondContact O-N 2.92Å; L658-K662 WeakPolarHBondContact O-CG 3.18Å; L658-K662 PolarHBondContact O-N 3.16Å; L658-F667 HydrophobicContact CD2-CD2 4.18Å; L658-F667 HydrophobicContact CD2-CE2 3.88Å
659K86.8Confident83.1Confident114 Ų11479 Ų7950%0.49638%0.38SS..Hα-helixtrans-62.1-46.9175.7-176.9177.7172.9179.70111.7W655 R656 Q657 K662 E663W655-K659 PolarHBondContact O-N 3.19Å; W655-K659 VanDerWaalsContact O-N 3.17Å; R656-K659 PolarHBondContact O-N 2.94Å; Q657-K659 VanDerWaalsContact C-N 3.33Å; Q657-K659 PolarHBondContact O-N 3.26Å; K659-K662 PolarHBondContact O-N 3.13Å; K659-E663 WeakPolarHBondContact CE-OE1 3.43Å; K659-E663 WeakPolarHBondContact O-CG 3.44Å; K659-E663 PolarHBondContact O-N 3.21Å
660L87.3Confident82.9Confident30 Ų3083 Ų8316%0.15740%0.399CS..Hα-helixtrans-64.1-40.3177.8-74.1170.1000112F642 L644 F649 L652 R656 Q657 K662 E663 K664F642-L660 HydrophobicContact CD1-CB 4.16Å; F642-L660 HydrophobicContact CE1-CB 4.13Å; L644-L660 HydrophobicContact CD2-CD1 4.37Å; F649-L660 HydrophobicContact CD2-CD1 4.33Å; F649-L660 HydrophobicContact CE2-CB 4.18Å; F649-L660 HydrophobicContact CE2-CD1 4.28Å; L652-L660 HydrophobicContact CD1-CD1 3.77Å; R656-L660 WeakPolarHBondContact O-CG 3.07Å; R656-L660 PolarHBondContact O-N 3.34Å; R656-L660 VanDerWaalsContact O-N 3.08Å; Q657-L660 PolarHBondContact O-N 2.99Å; L660-K662 VanDerWaalsContact C-N 3.34Å; L660-K662 PolarHBondContact O-N 3.25Å; L660-E663 PolarHBondContact O-N 2.68Å; L660-K664 WeakPolarHBondContact O-CB 3.27Å; L660-K664 VanDerWaalsContact O-CG 3.31Å; L660-K664 WeakPolarHBondContact O-CG 3.42Å; L660-K664 PolarHBondContact O-N 2.69Å
661K90.7Very high83Confident12 Ų1281.6 Ų81.65%0.05239%0.385CS..Hα-helixtrans-59.4-44.4174.8-73.9172.962160.60111.7S627 E630 F642 F649 Q657 L658 K664 G665 L666 F667S627-K661 PolarHBondContact O-NZ 2.71Å; E630-K661 HydrophobicContact CG-CD 4.4Å; E630-K661 IonicContact OE1-NZ 2.74Å; E630-K661 PolarHBondContact OE1-NZ 3.38Å; E630-K661 WeakPolarHBondContact OE2-CE 3.4Å; E630-K661 IonicContact OE2-NZ 2.72Å; E630-K661 PolarHBondContact OE2-NZ 3.15Å; F642-K661 HydrophobicContact CE1-CG 4.45Å; F642-K661 HydrophobicContact CZ-CG 4.33Å; F649-K661 HydrophobicContact CZ-CD 4.08Å; F649-K661 HydrophobicContact CZ-CG 3.96Å; Q657-K661 WeakPolarHBondContact O-CG 3.28Å; Q657-K661 PolarHBondContact O-N 3.06Å; L658-K661 PolarHBondContact O-N 2.92Å; K661-K664 CarbonylContact O-C 3.58Å; K661-K664 PolarHBondContact O-N 2.59Å; K661-G665 PolarHBondContact O-N 3.34Å; K661-G665 VanDerWaalsContact O-N 3.11Å; K661-L666 WeakPolarHBondContact CE-O 3.01Å; K661-L666 PolarHBondContact O-N 3.19Å; K661-F667 HydrophobicContact CB-CB 4.29Å; K661-F667 PolarHBondContact O-N 3.46Å
662K85.6Confident83.1Confident125 Ų12580.9 Ų80.954%0.54337%0.368SS..Hα-helixtrans-62.7-45.7175.7-75.4177.8178.7-177.30112.2L658 K659 L660 K664 G665 F667L658-K662 WeakPolarHBondContact O-CG 3.18Å; L658-K662 PolarHBondContact O-N 3.16Å; K659-K662 PolarHBondContact O-N 3.13Å; L660-K662 VanDerWaalsContact C-N 3.34Å; L660-K662 PolarHBondContact O-N 3.25Å; K662-K664 PolarHBondContact O-N 3.34Å; K662-G665 PolarHBondContact O-N 2.89Å; K662-F667 HydrophobicContact CB-CB 4.22Å; K662-F667 HydrophobicContact CD-CD1 4.17Å; K662-F667 HydrophobicContact CD-CE1 4.48Å; K662-F667 HydrophobicContact CD-CG 4.18Å; K662-F667 VanDerWaalsContact CE-CZ 3.44Å; K662-F667 HydrophobicContact CG-CB 3.44Å; K662-F667 VanDerWaalsContact CG-CB 3.44Å; K662-F667 HydrophobicContact CG-CD1 3.68Å; K662-F667 HydrophobicContact CG-CD2 3.93Å; K662-F667 HydrophobicContact CG-CE1 4.44Å; K662-F667 HydrophobicContact CG-CG 3.37Å
663E88.1Confident83.3Confident119 Ų11983.8 Ų83.856%0.55638%0.38SS*.Hα-helixtrans-63.3-29.6178.9-74.6173.9-177.300112.8K659 L660K659-E663 WeakPolarHBondContact CE-OE1 3.43Å; K659-E663 WeakPolarHBondContact O-CG 3.44Å; K659-E663 PolarHBondContact O-N 3.21Å; L660-E663 PolarHBondContact O-N 2.68Å
664K87.5Confident84Confident82 Ų8284.9 Ų84.936%0.35738%0.375SS..THydrogen-bonded Turntrans-100.18.6-178.6-59.8-60.6-177157.70114.3V613 V641 F642 L660 K661 K662 L666V613-K664 WeakPolarHBondContact CG1-O 3.24Å; V641-K664 HydrophobicContact CG1-CB 3.9Å; V641-K664 HydrophobicContact CG1-CD 4.43Å; V641-K664 HydrophobicContact CG1-CG 4.19Å; V641-K664 VanDerWaalsContact O-CD 3.28Å; V641-K664 WeakPolarHBondContact O-CD 3.31Å; V641-K664 WeakPolarHBondContact O-CE 3.43Å; V641-K664 PolarHBondContact O-NZ 3.27Å; F642-K664 HydrophobicContact CD1-CG 4.03Å; F642-K664 HydrophobicContact CE1-CB 4.15Å; F642-K664 HydrophobicContact CE1-CG 4.03Å; L660-K664 WeakPolarHBondContact O-CB 3.27Å; L660-K664 VanDerWaalsContact O-CG 3.31Å; L660-K664 WeakPolarHBondContact O-CG 3.42Å; L660-K664 PolarHBondContact O-N 2.69Å; K661-K664 CarbonylContact O-C 3.58Å; K661-K664 PolarHBondContact O-N 2.59Å; K662-K664 PolarHBondContact O-N 3.34Å; K664-L666 VanDerWaalsContact C-N 3.29Å; K664-L666 PolarHBondContact O-N 3.15Å
665G82.5Confident84.4Confident10 Ų1079.6 Ų79.610%0.10335%0.349CS..THydrogen-bonded Turntrans70.821.7176.100000114.9N614 K661 K662N614-G665 PolarHBondContact N-O 2.96Å; N614-G665 WeakPolarHBondContact OD1-CA 3.32Å; K661-G665 PolarHBondContact O-N 3.34Å; K661-G665 VanDerWaalsContact O-N 3.11Å; K662-G665 PolarHBondContact O-N 2.89Å
666L85.1Confident85.2Confident0 Ų072 Ų720%032%0.324CS..  trans-110.719.7-179.6-69.5166.8000112.1L612 V613 K629 L633 V641 F642 K661 K664L612-L666 HydrophobicContact CB-CD2 3.81Å; V613-L666 HydrophobicContact CG2-CD1 4.34Å; V613-L666 HydrophobicContact CG2-CD2 3.91Å; V613-L666 HydrophobicContact CG2-CG 4.05Å; K629-L666 HydrophobicContact CB-CB 4.45Å; K629-L666 HydrophobicContact CB-CD2 3.69Å; K629-L666 HydrophobicContact CD-CD2 4.26Å; L633-L666 HydrophobicContact CD1-CD1 3.86Å; V641-L666 HydrophobicContact CG1-CD1 3.87Å; F642-L666 HydrophobicContact CE2-CD1 3.58Å; F642-L666 HydrophobicContact CZ-CD1 3.48Å; F642-L666 VanDerWaalsContact CZ-CD1 3.48Å; K661-L666 WeakPolarHBondContact CE-O 3.01Å; K661-L666 PolarHBondContact O-N 3.19Å; K664-L666 VanDerWaalsContact C-N 3.29Å; K664-L666 PolarHBondContact O-N 3.15Å
667F79.1Confident85.8Confident132 Ų13266.6 Ų66.658%0.57931%0.308SS*.  trans-104.60173.6-175.1-95.8000111.2L658 K661 K662L658-F667 HydrophobicContact CD2-CD2 4.18Å; L658-F667 HydrophobicContact CD2-CE2 3.88Å; K661-F667 HydrophobicContact CB-CB 4.29Å; K661-F667 PolarHBondContact O-N 3.46Å; K662-F667 HydrophobicContact CB-CB 4.22Å; K662-F667 HydrophobicContact CD-CD1 4.17Å; K662-F667 HydrophobicContact CD-CE1 4.48Å; K662-F667 HydrophobicContact CD-CG 4.18Å; K662-F667 VanDerWaalsContact CE-CZ 3.44Å; K662-F667 HydrophobicContact CG-CB 3.44Å; K662-F667 VanDerWaalsContact CG-CB 3.44Å; K662-F667 HydrophobicContact CG-CD1 3.68Å; K662-F667 HydrophobicContact CG-CD2 3.93Å; K662-F667 HydrophobicContact CG-CE1 4.44Å; K662-F667 HydrophobicContact CG-CG 3.37Å

Retrieved 667 of 667 residues in 289.5 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).