A0A5K4FFW5_SCHMA Loading...

BBS1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFW5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 642 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.9Confident90.4Very high16 Ų1633.5 Ų33.58%0.07919%0.19CC..  0145.30179.4-170.9-178.500109.5I364 W366 I410 Y412 L445M1-I364 HydrophobicContact CE-CB 4.12Å; M1-I364 HydrophobicContact CE-CD1 3.37Å; M1-I364 HydrophobicContact CE-CG1 3.63Å; M1-I364 HydrophobicContact CE-CG2 3.35Å; M1-I364 HydrophobicContact CG-CG2 3.97Å; M1-I364 HydrophobicContact SD-CG2 4.46Å; M1-W366 HydrophobicContact CB-CE3 4.02Å; M1-W366 HydrophobicContact CB-CZ3 3.9Å; M1-W366 HydrophobicContact CG-CE3 4.25Å; M1-W366 HydrophobicContact CG-CZ3 4.35Å; M1-I410 PolarHBondContact O-N 2.94Å; M1-Y412 HydrophobicContact CB-CD1 4.41Å; M1-Y412 PolarHBondContact N-O 3.48Å; M1-Y412 VanDerWaalsContact N-O 3.16Å; M1-Y412 HydrophobicContact SD-CD1 4.44Å; M1-L445 HydrophobicContact CE-CD2 3.69Å; M1-L445 HydrophobicContact SD-CD2 4.32Å
2T87Confident90.4Very high4 Ų434.6 Ų34.63%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-123.4145.5173.865.60000112.4I364 T365 I367 L409T2-I364 WeakPolarHBondContact O-CA 2.99Å; T2-T365 PolarHBondContact N-O 3.2Å; T2-T365 PolarHBondContact O-N 2.62Å; T2-T365 PolarHBondContact OG1-O 2.94Å; T2-T365 PolarHBondContact OG1-OG1 2.71Å; T2-I367 HydrophobicContact CG2-CD1 3.4Å; T2-I367 HydrophobicContact CG2-CG1 4.19Å; T2-L409 HydrophobicContact CG2-CD1 3.67Å; T2-L409 HydrophobicContact CG2-CG 4.21Å
3I90.6Very high90.4Very high7 Ų733.8 Ų33.84%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-112.8139.6177.1-60.4-165.7000109.6W7 L9 C363 I364 K408 I410 L447I3-W7 HydrophobicContact CG2-CB 3.74Å; I3-W7 HydrophobicContact CG2-CG 4.47Å; I3-L9 HydrophobicContact CD1-CB 4.35Å; I3-L9 HydrophobicContact CD1-CD1 4.11Å; I3-C363 WeakPolarHBondContact CA-O 3.2Å; I3-I364 HydrophobicContact CG1-CG1 4.35Å; I3-K408 PolarHBondContact N-O 2.79Å; I3-I410 HydrophobicContact CD1-CD1 3.34Å; I3-I410 HydrophobicContact CG1-CD1 3.59Å; I3-I410 HydrophobicContact CG1-CG1 4.48Å; I3-L447 HydrophobicContact CD1-CD1 4.34Å; I3-L447 HydrophobicContact CD1-CD2 3.54Å
4S91.9Very high90.1Very high16 Ų1637.5 Ų37.511%0.11221%0.206CC..  trans-61.9144.9175.7171.70000112S6 W7 D361 C363S4-S6 PolarHBondContact O-N 2.99Å; S4-W7 PolarHBondContact O-N 3.01Å; S4-D361 VanDerWaalsContact CB-OD1 3.32Å; S4-D361 WeakPolarHBondContact CB-OD1 3.43Å; S4-D361 WeakPolarHBondContact CB-OD2 3.23Å; S4-D361 PolarHBondContact OG-OD1 3.21Å; S4-D361 PolarHBondContact OG-OD2 3.47Å; S4-C363 PolarHBondContact N-O 3.36Å
5D88.9Confident89.8Confident60 Ų6043 Ų4332%0.32124%0.241SC..THydrogen-bonded Turntrans-66-11.4-178.4-68-32.8000113.4W7 K450D5-W7 PolarHBondContact O-N 2.87Å; D5-K450 WeakPolarHBondContact O-CD 3.41Å; D5-K450 WeakPolarHBondContact O-CE 3.28Å; D5-K450 PolarHBondContact O-NZ 2.8Å
6S91Very high89.6Confident25 Ų2541.8 Ų41.818%0.17524%0.235CC..THydrogen-bonded Turntrans-69.7-11.9171.6-66.60000113.6S4 K450S4-S6 PolarHBondContact O-N 2.99Å; S6-K450 WeakPolarHBondContact O-CB 3.45Å; S6-K450 PolarHBondContact O-N 2.76Å
7W93.7Very high89.5Confident9 Ų943.4 Ų43.43%0.03424%0.243CC..EExtended strand (participates in β ladder)trans-118146.3-171-61.484.6000112.7I3 S4 D5 M328 I353 D361 F425 L435 L447 V449 K450 F455I3-W7 HydrophobicContact CG2-CB 3.74Å; I3-W7 HydrophobicContact CG2-CG 4.47Å; S4-W7 PolarHBondContact O-N 3.01Å; D5-W7 PolarHBondContact O-N 2.87Å; W7-M328 HydrophobicContact CH2-CE 3.87Å; W7-M328 HydrophobicContact CZ2-CE 3.97Å; W7-I353 HydrophobicContact CH2-CD1 4.23Å; W7-I353 HydrophobicContact CZ2-CD1 3.26Å; W7-D361 PolarHBondContact NE1-OD2 3Å; W7-F425 HydrophobicContact CH2-CD2 4.5Å; W7-F425 HydrophobicContact CH2-CE2 4.03Å; W7-F425 HydrophobicContact CZ3-CE2 4.39Å; W7-L435 HydrophobicContact CE3-CB 4.42Å; W7-L435 HydrophobicContact CH2-CB 3.94Å; W7-L435 HydrophobicContact CH2-CD2 3.97Å; W7-L435 HydrophobicContact CZ3-CB 3.5Å; W7-L435 HydrophobicContact CZ3-CD2 4.09Å; W7-L435 HydrophobicContact CZ3-CG 4.47Å; W7-L447 HydrophobicContact CD2-CB 4.35Å; W7-L447 HydrophobicContact CE3-CB 3.55Å; W7-L447 HydrophobicContact CZ3-CB 4.14Å; W7-V449 HydrophobicContact CE3-CG2 3.93Å; W7-V449 HydrophobicContact CH2-CG2 3.35Å; W7-V449 HydrophobicContact CZ2-CG2 3.92Å; W7-V449 HydrophobicContact CZ3-CB 4.46Å; W7-V449 HydrophobicContact CZ3-CG2 3.35Å; W7-K450 WeakPolarHBondContact O-CE 3.26Å; W7-F455 AromaticContact CE2-CZ 3.92Å; W7-F455 HydrophobicContact CZ2-CE1 4.2Å; W7-F455 HydrophobicContact CZ2-CE2 4.5Å; W7-F455 AromaticContact CZ2-CZ 3.64Å; W7-F455 HydrophobicContact CZ2-CZ 3.64Å; W7-F455 AromaticContact NE1-CE1 3.91Å; W7-F455 AromaticContact NE1-CZ 3.98Å
8L93.1Very high89.6Confident89 Ų8941 Ų4147%0.46623%0.229SC..EExtended strand (participates in β ladder)trans-105.9119.3167.7-69.5164.1000108.3A10 L447 I448 K450L8-A10 PolarHBondContact O-N 2.91Å; L8-A10 VanDerWaalsContact O-N 3.16Å; L8-L447 CarbonylContact O-C 3.59Å; L8-L447 WeakPolarHBondContact O-CA 3.42Å; L8-I448 HydrophobicContact CB-CB 4.35Å; L8-I448 PolarHBondContact N-O 3.37Å; L8-I448 PolarHBondContact O-N 2.92Å; L8-K450 HydrophobicContact CD1-CG 3.9Å; L8-K450 HydrophobicContact CD2-CD 4.37Å; L8-K450 HydrophobicContact CD2-CG 4.17Å; L8-K450 HydrophobicContact CG-CD 4.28Å; L8-K450 HydrophobicContact CG-CG 3.57Å
9L92.4Very high89.8Confident54 Ų5440.4 Ų40.428%0.28323%0.228SC..EExtended strand (participates in β ladder)trans-73104.9169.4179.767.1000109.4I3 K11 H12 I410 L445 L447I3-L9 HydrophobicContact CD1-CB 4.35Å; I3-L9 HydrophobicContact CD1-CD1 4.11Å; L9-K11 WeakPolarHBondContact CD1-O 3.34Å; L9-H12 HydrophobicContact CD1-CB 4.15Å; L9-H12 HydrophobicContact CD2-CB 4.13Å; L9-I410 HydrophobicContact CD2-CD1 3.66Å; L9-I410 HydrophobicContact CD2-CG1 4.21Å; L9-L445 HydrophobicContact CD1-CD2 4.24Å; L9-L447 HydrophobicContact CB-CD2 4.15Å; L9-L447 HydrophobicContact CD1-CD2 3.42Å; L9-L447 VanDerWaalsContact CD1-CD2 3.42Å; L9-L447 HydrophobicContact CG-CD2 4.41Å
10A91.5Very high90.1Very high44 Ų4438.4 Ų38.436%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-81.4-39.5177.200000111.6L8 I446 I448L8-A10 PolarHBondContact O-N 2.91Å; L8-A10 VanDerWaalsContact O-N 3.16Å; A10-I446 HydrophobicContact CB-CB 4.31Å; A10-I446 HydrophobicContact CB-CG2 4.05Å; A10-I446 WeakPolarHBondContact CB-O 3.3Å; A10-I446 PolarHBondContact N-O 3.07Å; A10-I448 HydrophobicContact CB-CD1 3.69Å; A10-I448 HydrophobicContact CB-CG1 4.12Å
11K91.4Very high90.3Very high44 Ų4440.9 Ų40.919%0.19123%0.225CC..EExtended strand (participates in β ladder)trans-151.7137.6176.7-160.4-175-172.5-165.20110.8L9 D13 T67 M444 L445 I446L9-K11 WeakPolarHBondContact CD1-O 3.34Å; K11-D13 HydrophobicContact CD-CB 4.13Å; K11-D13 WeakPolarHBondContact CE-OD2 3.49Å; K11-D13 HydrophobicContact CG-CB 4.35Å; K11-D13 IonicContact NZ-OD2 2.77Å; K11-D13 PolarHBondContact NZ-OD2 3.06Å; K11-T67 HydrophobicContact CB-CG2 4.15Å; K11-T67 HydrophobicContact CD-CG2 4.27Å; K11-T67 VanDerWaalsContact CE-O 3.26Å; K11-T67 WeakPolarHBondContact CE-O 3.49Å; K11-T67 HydrophobicContact CG-CG2 4.43Å; K11-T67 PolarHBondContact NZ-O 3.07Å; K11-M444 HydrophobicContact CD-CE 4.34Å; K11-L445 WeakPolarHBondContact O-CA 3.38Å; K11-I446 HydrophobicContact CB-CB 4.18Å; K11-I446 HydrophobicContact CB-CD1 4.11Å; K11-I446 HydrophobicContact CB-CG1 4.24Å; K11-I446 HydrophobicContact CD-CD1 4.42Å; K11-I446 PolarHBondContact N-O 2.93Å; K11-I446 PolarHBondContact O-N 2.88Å
12H91.2Very high91Very high47 Ų4741.3 Ų41.322%0.21823%0.23CC..EExtended strand (participates in β ladder)trans-123.3108.6161.3-180-156.3000106.9L9L9-H12 HydrophobicContact CD1-CB 4.15Å; L9-H12 HydrophobicContact CD2-CB 4.13Å
13D89.3Confident91.3Very high25 Ų2545.6 Ų45.613%0.13425%0.25CS..EExtended strand (participates in β ladder)trans-113104.9-177.3-164.6-23.8000110.2K11 T15 V16 H443 M444K11-D13 HydrophobicContact CD-CB 4.13Å; K11-D13 WeakPolarHBondContact CE-OD2 3.49Å; K11-D13 HydrophobicContact CG-CB 4.35Å; K11-D13 IonicContact NZ-OD2 2.77Å; K11-D13 PolarHBondContact NZ-OD2 3.06Å; D13-T15 VanDerWaalsContact C-N 3.28Å; D13-T15 PolarHBondContact OD1-N 3.34Å; D13-T15 PolarHBondContact OD1-OG1 3.48Å; D13-V16 HydrophobicContact CB-CG2 3.46Å; D13-V16 VanDerWaalsContact CB-CG2 3.46Å; D13-V16 WeakPolarHBondContact OD1-CG2 3.35Å; D13-V16 PolarHBondContact OD1-N 3.27Å; D13-V16 VanDerWaalsContact OD2-CG2 3.28Å; D13-V16 WeakPolarHBondContact OD2-CG2 3.01Å; D13-H443 WeakPolarHBondContact O-CA 3.44Å; D13-M444 PolarHBondContact N-O 3.21Å; D13-M444 PolarHBondContact O-N 3.2Å
14L86.4Confident91.6Very high85 Ų8545.3 Ų45.345%0.44525%0.248SC..SBendtrans-77.9-15.8178.8-64.3155000112Y412 H443L14-Y412 HydrophobicContact CD2-CD2 3.81Å; L14-Y412 HydrophobicContact CD2-CE2 3.56Å; L14-H443 VanDerWaalsContact CA-CD2 3.5Å; L14-H443 WeakPolarHBondContact CA-CD2 3.34Å; L14-H443 PolarHBondContact O-CD2 3Å
15T85.4Confident91.8Very high120 Ų12045 Ų4574%0.73625%0.245SC*.SBendtrans-98.9-11.9-168.364.90000113.9D13 N17D13-T15 VanDerWaalsContact C-N 3.28Å; D13-T15 PolarHBondContact OD1-N 3.34Å; D13-T15 PolarHBondContact OD1-OG1 3.48Å; T15-N17 PolarHBondContact O-N 3.49Å
16V86.5Confident92.1Very high23 Ų2342.7 Ų42.714%0.13923%0.234CC..SBendtrans-60.5-35.3-176.4-166.70000112.2D13 L18 F64 M444D13-V16 HydrophobicContact CB-CG2 3.46Å; D13-V16 VanDerWaalsContact CB-CG2 3.46Å; D13-V16 WeakPolarHBondContact OD1-CG2 3.35Å; D13-V16 PolarHBondContact OD1-N 3.27Å; D13-V16 VanDerWaalsContact OD2-CG2 3.28Å; D13-V16 WeakPolarHBondContact OD2-CG2 3.01Å; V16-L18 HydrophobicContact CB-CB 4.44Å; V16-L18 HydrophobicContact CG1-CB 3.92Å; V16-F64 HydrophobicContact CG1-CE1 4.12Å; V16-F64 HydrophobicContact CG1-CZ 3.81Å; V16-M444 HydrophobicContact CG2-CB 4.11Å; V16-M444 HydrophobicContact CG2-CE 4.39Å
17N88.6Confident92.3Very high70 Ų7042.9 Ų42.937%0.37423%0.233SC..  trans50.357.6-177.2-164.8-1.5000111.8T15 S44 K48 G442T15-N17 PolarHBondContact O-N 3.49Å; N17-S44 WeakPolarHBondContact O-CB 3.37Å; N17-S44 PolarHBondContact O-OG 2.78Å; N17-K48 PolarHBondContact ND2-NZ 3.02Å; N17-G442 WeakPolarHBondContact CA-O 3.28Å; N17-G442 PolarHBondContact N-O 2.88Å; N17-G442 VanDerWaalsContact N-O 3.15Å
18L91.7Very high92.1Very high0 Ų042.6 Ų42.60%023%0.232CC..  trans-102.1130.8-173.6-175.965.9000111V16 V40 D42 K62 V438 G442V16-L18 HydrophobicContact CB-CB 4.44Å; V16-L18 HydrophobicContact CG1-CB 3.92Å; L18-V40 HydrophobicContact CD1-CB 4.49Å; L18-V40 HydrophobicContact CD1-CG1 3.94Å; L18-V40 HydrophobicContact CD2-CB 4.47Å; L18-V40 HydrophobicContact CD2-CG1 4.02Å; L18-V40 HydrophobicContact CD2-CG2 4.42Å; L18-V40 HydrophobicContact CG-CG1 4.24Å; L18-D42 HydrophobicContact CD1-CB 3.68Å; L18-K62 HydrophobicContact CD1-CD 4.15Å; L18-V438 HydrophobicContact CB-CG1 4.23Å; L18-V438 HydrophobicContact CD2-CG1 4.26Å; L18-V438 HydrophobicContact CD2-CG2 3.77Å; L18-V438 HydrophobicContact CG-CG1 4.2Å; L18-V438 VanDerWaalsContact O-CG1 3.27Å; L18-V438 WeakPolarHBondContact O-CG1 3.34Å; L18-G442 PolarHBondContact N-O 3.02Å; L18-G442 WeakPolarHBondContact O-CA 3.47Å
19S93.3Very high91.9Very high29 Ų2939 Ų3920%0.20321%0.214CC..  trans-124125.1173.9-170.80000109.4D42 F43 S44 F47S19-D42 PolarHBondContact N-OD1 2.93Å; S19-D42 VanDerWaalsContact N-OD1 3.1Å; S19-D42 WeakPolarHBondContact O-CA 3.43Å; S19-F43 WeakPolarHBondContact O-CB 3.45Å; S19-F43 WeakPolarHBondContact O-CD2 2.91Å; S19-F43 PolarHBondContact O-N 2.92Å; S19-S44 WeakPolarHBondContact CB-OG 3.09Å; S19-S44 PolarHBondContact N-OG 2.88Å; S19-F47 WeakPolarHBondContact OG-CD2 3.38Å; S19-F47 VanDerWaalsContact OG-CE2 3.23Å; S19-F47 WeakPolarHBondContact OG-CE2 3.49Å
20T95.3Very high91.5Very high1 Ų136.5 Ų36.51%0.00620%0.2CC..  trans-159.1176.5-173.6-163.20000111.4M25 V40 A41 A422 V438T20-M25 HydrophobicContact CG2-CG 3.67Å; T20-M25 HydrophobicContact CG2-SD 3.53Å; T20-M25 VanDerWaalsContact CG2-SD 3.53Å; T20-V40 HydrophobicContact CG2-CG1 3.65Å; T20-V40 WeakPolarHBondContact OG1-CG1 3.21Å; T20-A41 WeakPolarHBondContact CB-O 3.2Å; T20-A41 PolarHBondContact OG1-O 2.97Å; T20-A422 HydrophobicContact CG2-CB 3.7Å; T20-V438 HydrophobicContact CG2-CB 4.12Å; T20-V438 HydrophobicContact CG2-CG1 4.18Å; T20-V438 HydrophobicContact CG2-CG2 3.94Å
21F95.1Very high91.1Very high90 Ų9037.9 Ų37.940%0.39520%0.199SC..  trans-123.1153.2174.9-58.6-76000109.4Q23 C24 M25 F43 F47F21-Q23 HydrophobicContact CB-CG 4.18Å; F21-Q23 PolarHBondContact O-N 3.05Å; F21-C24 CarbonylContact O-C 3.6Å; F21-C24 WeakPolarHBondContact O-CA 3.31Å; F21-C24 WeakPolarHBondContact O-CB 3.26Å; F21-C24 PolarHBondContact O-N 3.06Å; F21-M25 PolarHBondContact O-N 3.13Å; F21-F43 HydrophobicContact CD2-CD2 4.49Å; F21-F43 HydrophobicContact CD2-CE2 4.13Å; F21-F43 HydrophobicContact CD2-CZ 4.2Å; F21-F43 HydrophobicContact CE2-CD1 4.47Å; F21-F43 HydrophobicContact CE2-CE1 4.41Å; F21-F43 HydrophobicContact CE2-CZ 4.43Å; F21-F47 HydrophobicContact CE2-CZ 4.35Å; F21-F47 HydrophobicContact CZ-CZ 4.03Å
22S95.9Very high90.4Very high26 Ų2638 Ų3818%0.18220%0.201CC..G310 helixtrans-56.8-36.7-177-56.60000113.3C24 M25 T324 A422 C423S22-C24 PolarHBondContact O-N 3.07Å; S22-M25 PolarHBondContact O-N 3.49Å; S22-T324 PolarHBondContact OG-OG1 2.98Å; S22-A422 WeakPolarHBondContact OG-CA 3.18Å; S22-C423 PolarHBondContact OG-N 3.44Å; S22-C423 PolarHBondContact OG-O 3.32Å
23Q94.9Very high89.9Confident94 Ų9437.8 Ų37.844%0.43921%0.205SC..G310 helixtrans-68.1-15.6174.866.8-150.855.100114.6F21 S80 G81 I82F21-Q23 HydrophobicContact CB-CG 4.18Å; F21-Q23 PolarHBondContact O-N 3.05Å; Q23-S80 WeakPolarHBondContact CG-O 3.39Å; Q23-S80 PolarHBondContact NE2-O 2.93Å; Q23-G81 WeakPolarHBondContact O-CA 3.46Å; Q23-I82 PolarHBondContact O-N 3.09Å
24C96Very high89.5Confident0 Ų040.8 Ų40.80%023%0.228CC..G310 helixtrans-103.314178.3-73.50000112.4F21 S22 A41 F43 P79F21-C24 CarbonylContact O-C 3.6Å; F21-C24 WeakPolarHBondContact O-CA 3.31Å; F21-C24 WeakPolarHBondContact O-CB 3.26Å; F21-C24 PolarHBondContact O-N 3.06Å; S22-C24 PolarHBondContact O-N 3.07Å; C24-A41 HydrophobicContact CB-CB 4.13Å; C24-A41 PolarHBondContact O-N 3.09Å; C24-F43 HydrophobicContact CB-CE2 4.03Å; C24-P79 PolarHBondContact SG-O 2.87Å
25M95.5Very high89.5Confident10 Ų1037.2 Ų37.25%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-122.1135.5173.8-63.8-179.26900109.5T20 F21 S22 L38 I39 V40 A422 C424 I436 V438T20-M25 HydrophobicContact CG2-CG 3.67Å; T20-M25 HydrophobicContact CG2-SD 3.53Å; T20-M25 VanDerWaalsContact CG2-SD 3.53Å; F21-M25 PolarHBondContact O-N 3.13Å; S22-M25 PolarHBondContact O-N 3.49Å; M25-L38 HydrophobicContact CE-CD1 4.07Å; M25-I39 WeakPolarHBondContact CA-O 3.32Å; M25-V40 HydrophobicContact CE-CG2 4.18Å; M25-V40 HydrophobicContact CG-CG1 3.97Å; M25-V40 HydrophobicContact CG-CG2 4.15Å; M25-A422 HydrophobicContact SD-CB 3.54Å; M25-A422 VanDerWaalsContact SD-CB 3.54Å; M25-C424 HydrophobicContact CB-CB 4.4Å; M25-I436 HydrophobicContact CE-CG2 3.87Å; M25-V438 HydrophobicContact CE-CG2 3.77Å; M25-V438 HydrophobicContact SD-CG2 3.92Å
26C95.3Very high89.8Confident12 Ų1232.8 Ų32.88%0.08118%0.181CC..EExtended strand (participates in β ladder)trans-149.6160.8173.269.10000112.8I39 P84C26-I39 PolarHBondContact N-O 3.05Å; C26-I39 PolarHBondContact O-N 2.92Å; C26-P84 HydrophobicContact CB-CG 4.38Å
27L94.9Very high90.1Very high29 Ų2931.7 Ų31.715%0.15218%0.175CC..EExtended strand (participates in β ladder)trans-117.5132.5177.2-60175000109.3E37 L38 P84 Y428 I436L27-E37 WeakPolarHBondContact CA-O 3.19Å; L27-L38 HydrophobicContact CD2-CB 3.95Å; L27-L38 HydrophobicContact CD2-CD1 3.83Å; L27-P84 WeakPolarHBondContact O-CG 3.38Å; L27-Y428 HydrophobicContact CD2-CD2 3.8Å; L27-Y428 HydrophobicContact CD2-CG 4.3Å; L27-I436 HydrophobicContact CD2-CD1 3.81Å
28G91.1Very high90.5Very high2 Ų228.4 Ų28.42%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-175.2158.2177.400000113.2I30 E37G28-I30 PolarHBondContact O-N 3.33Å; G28-E37 PolarHBondContact N-O 3.26Å; G28-E37 VanDerWaalsContact N-O 3.14Å; G28-E37 PolarHBondContact O-N 3.04Å
29D89Confident90.6Very high14 Ų1428.4 Ų28.48%0.07516%0.157CC..  trans-88.297.7173.5-175.23.4000109.5F31 D32 S33 S34 L95D29-F31 PolarHBondContact OD1-N 2.86Å; D29-D32 WeakPolarHBondContact OD1-CA 3.46Å; D29-D32 PolarHBondContact OD1-N 3.4Å; D29-S33 PolarHBondContact OD1-N 2.82Å; D29-S33 PolarHBondContact OD2-N 2.86Å; D29-S34 VanDerWaalsContact OD2-CA 3.27Å; D29-S34 WeakPolarHBondContact OD2-CA 3.31Å; D29-S34 PolarHBondContact OD2-N 2.83Å; D29-L95 PolarHBondContact O-N 2.92Å
30I84.2Confident90.7Very high1 Ų127 Ų271%0.00515%0.147CC..SBendtrans-92.4-22.3-178.7-63.9179.1000111.3G28 E37 I39 C94 L97 L111G28-I30 PolarHBondContact O-N 3.33Å; I30-E37 PolarHBondContact N-OE2 2.8Å; I30-I39 HydrophobicContact CD1-CD1 3.35Å; I30-I39 HydrophobicContact CD1-CG1 3.5Å; I30-I39 VanDerWaalsContact CD1-CG1 3.5Å; I30-I39 HydrophobicContact CG1-CD1 4.19Å; I30-C94 PolarHBondContact O-SG 2.99Å; I30-L97 HydrophobicContact CD1-CB 4.21Å; I30-L97 HydrophobicContact CD1-CD1 4.15Å; I30-L97 HydrophobicContact CD1-CD2 4.26Å; I30-L97 HydrophobicContact CD1-CG 4.45Å; I30-L111 HydrophobicContact CD1-CD2 4.14Å; I30-L111 HydrophobicContact CG2-CD2 3.97Å; I30-L111 HydrophobicContact CG2-CG 4.04Å
31F81.8Confident90.7Very high74 Ų7427 Ų2733%0.32515%0.147SC..SBendtrans-102.85.6-173.8-64-71.6000114D29 S33 E37 L111D29-F31 PolarHBondContact OD1-N 2.86Å; F31-S33 PolarHBondContact O-N 2.86Å; F31-E37 HydrophobicContact CD2-CG 3.99Å; F31-E37 HydrophobicContact CE2-CG 4.11Å; F31-L111 HydrophobicContact CE1-CD1 3.66Å; F31-L111 HydrophobicContact CE1-CG 4.14Å; F31-L111 HydrophobicContact CE2-CD1 4.02Å; F31-L111 HydrophobicContact CZ-CD1 3.15Å; F31-L111 HydrophobicContact CZ-CG 3.97Å
32D77.3Confident90.6Very high47 Ų4723 Ų2325%0.25113%0.13SC..SBendtrans57.240.6-175.8-178.956.7000111.5D29 K92 C94D29-D32 WeakPolarHBondContact OD1-CA 3.46Å; D29-D32 PolarHBondContact OD1-N 3.4Å; D32-K92 WeakPolarHBondContact OD1-CB 3.35Å; D32-K92 WeakPolarHBondContact OD1-CD 3.41Å; D32-K92 WeakPolarHBondContact OD2-CD 3.43Å; D32-K92 WeakPolarHBondContact OD2-CE 3.5Å; D32-K92 IonicContact OD2-NZ 3.41Å; D32-K92 PolarHBondContact OD2-NZ 3.05Å; D32-C94 HydrophobicContact CB-CB 4.04Å
33S79.5Confident90.4Very high41 Ų4122.2 Ų22.229%0.28712%0.123SC..SBendtrans-102.20.7-173.468.50000113.3D29 F31 T35 E37 K65D29-S33 PolarHBondContact OD1-N 2.82Å; D29-S33 PolarHBondContact OD2-N 2.86Å; F31-S33 PolarHBondContact O-N 2.86Å; S33-T35 PolarHBondContact O-N 2.84Å; S33-T35 VanDerWaalsContact O-N 3.12Å; S33-T35 PolarHBondContact OG-O 2.88Å; S33-T35 PolarHBondContact OG-OG1 3.37Å; S33-E37 PolarHBondContact OG-OE1 3.29Å; S33-K65 PolarHBondContact OG-NZ 2.81Å
34S81.2Confident90.1Very high89 Ų8918.2 Ų18.262%0.62211%0.106SC*.SBendtrans65-2.6-171.9760000115.1D29 K427D29-S34 VanDerWaalsContact OD2-CA 3.27Å; D29-S34 WeakPolarHBondContact OD2-CA 3.31Å; D29-S34 PolarHBondContact OD2-N 2.83Å; S34-K427 PolarHBondContact O-NZ 2.85Å
35T88Confident89.4Confident9 Ų921.8 Ų21.86%0.05512%0.122CC..SBendtrans-111.1140.9176.257.60000109.1S33 K65 D429 R430S33-T35 PolarHBondContact O-N 2.84Å; S33-T35 VanDerWaalsContact O-N 3.12Å; S33-T35 PolarHBondContact OG-O 2.88Å; S33-T35 PolarHBondContact OG-OG1 3.37Å; T35-K65 WeakPolarHBondContact OG1-CE 3.45Å; T35-K65 PolarHBondContact OG1-NZ 2.69Å; T35-D429 VanDerWaalsContact CA-O 3.28Å; T35-D429 WeakPolarHBondContact CA-O 3.31Å; T35-D429 WeakPolarHBondContact CB-OD1 3.43Å; T35-D429 WeakPolarHBondContact CG2-OD1 3.17Å; T35-R430 HydrophobicContact CG2-CG 3.82Å
36N91.5Very high88.7Confident28 Ų2824.9 Ų24.915%0.1513%0.134CC..BIsolated β-bridgetrans-87.2135.7179.5-74.28.6000110.6K427 D429N36-K427 HydrophobicContact CB-CG 4.5Å; N36-K427 WeakPolarHBondContact CB-O 3.14Å; N36-K427 WeakPolarHBondContact ND2-CB 3.2Å; N36-K427 PolarHBondContact ND2-O 3.34Å; N36-D429 PolarHBondContact N-O 2.94Å; N36-D429 WeakPolarHBondContact O-CA 3.48Å; N36-D429 PolarHBondContact O-N 3.28Å
37E93.1Very high87.9Confident0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-91.3158.6168.7-67.179.3-159.900111.1L27 G28 I30 F31 S33 I39 I63 F64 K65 I70L27-E37 WeakPolarHBondContact CA-O 3.19Å; G28-E37 PolarHBondContact N-O 3.26Å; G28-E37 VanDerWaalsContact N-O 3.14Å; G28-E37 PolarHBondContact O-N 3.04Å; I30-E37 PolarHBondContact N-OE2 2.8Å; F31-E37 HydrophobicContact CD2-CG 3.99Å; F31-E37 HydrophobicContact CE2-CG 4.11Å; S33-E37 PolarHBondContact OG-OE1 3.29Å; E37-I39 HydrophobicContact CB-CD1 4.43Å; E37-I63 HydrophobicContact CB-CG2 4.11Å; E37-I63 HydrophobicContact CG-CG2 4.42Å; E37-F64 WeakPolarHBondContact CA-O 3.31Å; E37-K65 HydrophobicContact CG-CB 4.29Å; E37-K65 HydrophobicContact CG-CD 4.44Å; E37-K65 IonicContact OE1-NZ 3.43Å; E37-K65 PolarHBondContact OE1-NZ 2.98Å; E37-I70 HydrophobicContact CG-CD1 4.22Å
38L95.4Very high87.1Confident0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-97.8125.4168.3167.572.9000107.2M25 L27 V40 I63 F64 Y428 I436 M444M25-L38 HydrophobicContact CE-CD1 4.07Å; L27-L38 HydrophobicContact CD2-CB 3.95Å; L27-L38 HydrophobicContact CD2-CD1 3.83Å; L38-V40 HydrophobicContact CD1-CG2 3.77Å; L38-V40 HydrophobicContact CD2-CG2 3.82Å; L38-V40 HydrophobicContact CG-CG2 3.66Å; L38-I63 CarbonylContact O-C 3.47Å; L38-I63 VanDerWaalsContact O-CA 3.32Å; L38-I63 WeakPolarHBondContact O-CA 3.4Å; L38-F64 HydrophobicContact CB-CB 4.23Å; L38-F64 HydrophobicContact CD2-CB 4.26Å; L38-F64 HydrophobicContact CD2-CD2 3.91Å; L38-F64 HydrophobicContact CD2-CG 4.31Å; L38-F64 HydrophobicContact CG-CD2 4.38Å; L38-F64 PolarHBondContact N-O 3.18Å; L38-F64 PolarHBondContact O-N 3.49Å; L38-Y428 HydrophobicContact CB-CD2 3.9Å; L38-Y428 HydrophobicContact CB-CE2 3.4Å; L38-I436 HydrophobicContact CB-CD1 4.15Å; L38-I436 HydrophobicContact CD1-CD1 3.93Å; L38-I436 HydrophobicContact CD1-CG2 4.43Å; L38-I436 HydrophobicContact CD2-CD1 3.98Å; L38-I436 HydrophobicContact CD2-CG2 3.84Å; L38-I436 HydrophobicContact CG-CD1 4.2Å; L38-M444 HydrophobicContact CD2-SD 4.1Å
39I95Very high86.2Confident0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-115.4127.1176.4-53.993.6000107.6M25 C26 I30 E37 I61 I82 L97M25-I39 WeakPolarHBondContact CA-O 3.32Å; C26-I39 PolarHBondContact N-O 3.05Å; C26-I39 PolarHBondContact O-N 2.92Å; I30-I39 HydrophobicContact CD1-CD1 3.35Å; I30-I39 HydrophobicContact CD1-CG1 3.5Å; I30-I39 VanDerWaalsContact CD1-CG1 3.5Å; I30-I39 HydrophobicContact CG1-CD1 4.19Å; E37-I39 HydrophobicContact CB-CD1 4.43Å; I39-I61 HydrophobicContact CG2-CG2 3.56Å; I39-I82 HydrophobicContact CG2-CG2 4.45Å; I39-L97 HydrophobicContact CG2-CD1 4.49Å; I39-L97 HydrophobicContact CG2-CD2 3.96Å
40V95.2Very high85.3Confident0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-134130.2-178.7-173.30000109.6L18 T20 M25 L38 I61 K62L18-V40 HydrophobicContact CD1-CB 4.49Å; L18-V40 HydrophobicContact CD1-CG1 3.94Å; L18-V40 HydrophobicContact CD2-CB 4.47Å; L18-V40 HydrophobicContact CD2-CG1 4.02Å; L18-V40 HydrophobicContact CD2-CG2 4.42Å; L18-V40 HydrophobicContact CG-CG1 4.24Å; T20-V40 HydrophobicContact CG2-CG1 3.65Å; T20-V40 WeakPolarHBondContact OG1-CG1 3.21Å; M25-V40 HydrophobicContact CE-CG2 4.18Å; M25-V40 HydrophobicContact CG-CG1 3.97Å; M25-V40 HydrophobicContact CG-CG2 4.15Å; L38-V40 HydrophobicContact CD1-CG2 3.77Å; L38-V40 HydrophobicContact CD2-CG2 3.82Å; L38-V40 HydrophobicContact CG-CG2 3.66Å; V40-I61 CarbonylContact O-C 3.52Å; V40-I61 WeakPolarHBondContact O-CA 3.49Å; V40-K62 PolarHBondContact N-O 2.76Å; V40-K62 PolarHBondContact O-N 2.93Å
41A94.6Very high84.4Confident0 Ų045.1 Ų45.10%023%0.225CC..EExtended strand (participates in β ladder)trans-77.9123.8159.600000110.3T20 C24 F43 I61 P79 I82T20-A41 WeakPolarHBondContact CB-O 3.2Å; T20-A41 PolarHBondContact OG1-O 2.97Å; C24-A41 HydrophobicContact CB-CB 4.13Å; C24-A41 PolarHBondContact O-N 3.09Å; A41-F43 HydrophobicContact CB-CE2 3.84Å; A41-F43 HydrophobicContact CB-CZ 4.48Å; A41-F43 WeakPolarHBondContact O-CD2 3.22Å; A41-I61 HydrophobicContact CB-CD1 3.71Å; A41-P79 HydrophobicContact CB-CB 4.41Å; A41-P79 HydrophobicContact CB-CG 3.32Å; A41-I82 HydrophobicContact CB-CD1 3.57Å
42D93.8Very high83.4Confident6 Ų643.3 Ų43.33%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-98123.6178.1-17312.8000110.7L18 S19 S44 K60 K62L18-D42 HydrophobicContact CD1-CB 3.68Å; S19-D42 PolarHBondContact N-OD1 2.93Å; S19-D42 VanDerWaalsContact N-OD1 3.1Å; S19-D42 WeakPolarHBondContact O-CA 3.43Å; D42-S44 WeakPolarHBondContact OD1-CB 3.48Å; D42-S44 PolarHBondContact OD1-N 3.09Å; D42-S44 PolarHBondContact OD1-OG 2.82Å; D42-K60 HydrophobicContact CB-CB 4.28Å; D42-K60 WeakPolarHBondContact CB-O 3.34Å; D42-K60 PolarHBondContact N-O 2.84Å; D42-K60 PolarHBondContact O-N 2.78Å; D42-K62 HydrophobicContact CB-CD 4.09Å; D42-K62 HydrophobicContact CB-CG 4.35Å; D42-K62 WeakPolarHBondContact OD2-CE 3.2Å; D42-K62 IonicContact OD2-NZ 3.55Å; D42-K62 PolarHBondContact OD2-NZ 2.79Å
43F91.8Very high82.3Confident10 Ų1049.2 Ų49.24%0.04425%0.253CS..  trans-106.13.1179.2-64.2-104.6000111.8S19 F21 C24 A41 Q45 Y46 F47 F59 A78 P79S19-F43 WeakPolarHBondContact O-CB 3.45Å; S19-F43 WeakPolarHBondContact O-CD2 2.91Å; S19-F43 PolarHBondContact O-N 2.92Å; F21-F43 HydrophobicContact CD2-CD2 4.49Å; F21-F43 HydrophobicContact CD2-CE2 4.13Å; F21-F43 HydrophobicContact CD2-CZ 4.2Å; F21-F43 HydrophobicContact CE2-CD1 4.47Å; F21-F43 HydrophobicContact CE2-CE1 4.41Å; F21-F43 HydrophobicContact CE2-CZ 4.43Å; C24-F43 HydrophobicContact CB-CE2 4.03Å; A41-F43 HydrophobicContact CB-CE2 3.84Å; A41-F43 HydrophobicContact CB-CZ 4.48Å; A41-F43 WeakPolarHBondContact O-CD2 3.22Å; F43-Q45 VanDerWaalsContact C-N 3.28Å; F43-Q45 PolarHBondContact O-N 2.85Å; F43-Y46 WeakPolarHBondContact O-CA 3.27Å; F43-Y46 WeakPolarHBondContact O-CB 3.33Å; F43-Y46 PolarHBondContact O-N 2.83Å; F43-F47 HydrophobicContact CB-CD2 3.72Å; F43-F47 HydrophobicContact CB-CE2 3.4Å; F43-F47 VanDerWaalsContact CB-CE2 3.4Å; F43-F47 HydrophobicContact CB-CZ 4.35Å; F43-F47 HydrophobicContact CG-CE2 4.29Å; F43-F47 WeakPolarHBondContact O-CD2 3.38Å; F43-F47 PolarHBondContact O-N 2.68Å; F43-F59 AromaticContact CD1-CD1 3.76Å; F43-F59 HydrophobicContact CD1-CD1 3.76Å; F43-F59 AromaticContact CD1-CE1 3.6Å; F43-F59 HydrophobicContact CD1-CE1 3.6Å; F43-F59 HydrophobicContact CE1-CD1 4.06Å; F43-F59 AromaticContact CE1-CE1 3.97Å; F43-F59 HydrophobicContact CE1-CE1 3.97Å; F43-F59 HydrophobicContact CG-CD1 4.33Å; F43-F59 HydrophobicContact CG-CE1 4.49Å; F43-A78 HydrophobicContact CE1-CB 4.28Å; F43-P79 HydrophobicContact CE1-CG 4.42Å; F43-P79 HydrophobicContact CE2-CG 4.17Å; F43-P79 HydrophobicContact CZ-CG 3.66Å
44S87.7Confident80.9Confident10 Ų1053.4 Ų53.47%0.0727%0.272CS..Hα-helixtrans-56.1-41-175.2-75.70000113.1N17 S19 D42 K48N17-S44 WeakPolarHBondContact O-CB 3.37Å; N17-S44 PolarHBondContact O-OG 2.78Å; S19-S44 WeakPolarHBondContact CB-OG 3.09Å; S19-S44 PolarHBondContact N-OG 2.88Å; D42-S44 WeakPolarHBondContact OD1-CB 3.48Å; D42-S44 PolarHBondContact OD1-N 3.09Å; D42-S44 PolarHBondContact OD1-OG 2.82Å; S44-K48 WeakPolarHBondContact O-CG 3.47Å; S44-K48 PolarHBondContact O-N 2.78Å; S44-K48 VanDerWaalsContact O-N 3.11Å
45Q82Confident79.5Confident75 Ų7553.3 Ų53.335%0.3528%0.284SS..Hα-helixtrans-68.5-39.5178.7-167.763.927.200111.7F43 K48 N49F43-Q45 VanDerWaalsContact C-N 3.28Å; F43-Q45 PolarHBondContact O-N 2.85Å; Q45-K48 PolarHBondContact O-N 3.17Å; Q45-N49 PolarHBondContact NE2-ND2 3.46Å; Q45-N49 WeakPolarHBondContact O-CB 3.32Å; Q45-N49 PolarHBondContact O-N 3.26Å
46Y80.3Confident78.1Confident76 Ų7654.9 Ų54.930%0.29830%0.303SS..Hα-helixtrans-57.3-54.2173.9172.5-102.5000110.4F43 K48 N49 I50 F57 F59F43-Y46 WeakPolarHBondContact O-CA 3.27Å; F43-Y46 WeakPolarHBondContact O-CB 3.33Å; F43-Y46 PolarHBondContact O-N 2.83Å; Y46-K48 VanDerWaalsContact C-N 3.31Å; Y46-K48 PolarHBondContact O-N 3.44Å; Y46-N49 CarbonylContact O-C 3.6Å; Y46-N49 PolarHBondContact O-N 2.93Å; Y46-I50 HydrophobicContact CD1-CD1 4.05Å; Y46-I50 HydrophobicContact CD1-CG1 4.23Å; Y46-I50 HydrophobicContact CE1-CD1 3.61Å; Y46-I50 HydrophobicContact CE1-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CG1 4.35Å; Y46-I50 WeakPolarHBondContact O-CG1 3.33Å; Y46-I50 PolarHBondContact O-N 2.94Å; Y46-F57 HydrophobicContact CD2-CB 3.95Å; Y46-F57 AromaticContact CD2-CD1 3.51Å; Y46-F57 HydrophobicContact CD2-CD1 3.51Å; Y46-F57 HydrophobicContact CD2-CD2 4.37Å; Y46-F57 HydrophobicContact CD2-CE1 4.08Å; Y46-F57 AromaticContact CD2-CG 3.68Å; Y46-F57 HydrophobicContact CD2-CG 3.68Å; Y46-F57 AromaticContact CE2-CD1 4Å; Y46-F57 HydrophobicContact CE2-CD1 4Å; Y46-F57 HydrophobicContact CE2-CD2 4.29Å; Y46-F57 HydrophobicContact CE2-CE1 4.21Å; Y46-F57 HydrophobicContact CE2-CE2 4.49Å; Y46-F57 HydrophobicContact CE2-CG 4.04Å; Y46-F57 HydrophobicContact CE2-CZ 4.45Å; Y46-F59 HydrophobicContact CD1-CE1 4.41Å; Y46-F59 AromaticContact CD2-CE1 3.99Å; Y46-F59 HydrophobicContact CD2-CE1 3.99Å; Y46-F59 AromaticContact CD2-CZ 3.71Å; Y46-F59 HydrophobicContact CD2-CZ 3.71Å; Y46-F59 HydrophobicContact CE2-CZ 4.32Å; Y46-F59 AromaticContact CG-CE1 3.77Å; Y46-F59 HydrophobicContact CG-CE1 3.77Å; Y46-F59 AromaticContact CG-CZ 3.99Å; Y46-F59 HydrophobicContact CG-CZ 3.99Å
47F79.6Confident77Confident82 Ų8257.6 Ų57.636%0.3631%0.314SS..Hα-helixtrans-62.7-33.2-178.2-70.1-61.9000113.9S19 F21 F43 I50S19-F47 WeakPolarHBondContact OG-CD2 3.38Å; S19-F47 VanDerWaalsContact OG-CE2 3.23Å; S19-F47 WeakPolarHBondContact OG-CE2 3.49Å; F21-F47 HydrophobicContact CE2-CZ 4.35Å; F21-F47 HydrophobicContact CZ-CZ 4.03Å; F43-F47 HydrophobicContact CB-CD2 3.72Å; F43-F47 HydrophobicContact CB-CE2 3.4Å; F43-F47 VanDerWaalsContact CB-CE2 3.4Å; F43-F47 HydrophobicContact CB-CZ 4.35Å; F43-F47 HydrophobicContact CG-CE2 4.29Å; F43-F47 WeakPolarHBondContact O-CD2 3.38Å; F43-F47 PolarHBondContact O-N 2.68Å; F47-I50 HydrophobicContact CD1-CD1 3.5Å; F47-I50 HydrophobicContact CE1-CD1 4.1Å; F47-I50 HydrophobicContact CG-CD1 4.43Å
48K77.4Confident76.1Confident117 Ų11762.7 Ų62.751%0.50934%0.337SS..Hα-helixtrans-67.1-37.5172.9-73.2173.7-174.2174.70112.4N17 S44 Q45 Y46N17-K48 PolarHBondContact ND2-NZ 3.02Å; S44-K48 WeakPolarHBondContact O-CG 3.47Å; S44-K48 PolarHBondContact O-N 2.78Å; S44-K48 VanDerWaalsContact O-N 3.11Å; Q45-K48 PolarHBondContact O-N 3.17Å; Y46-K48 VanDerWaalsContact C-N 3.31Å; Y46-K48 PolarHBondContact O-N 3.44Å
49N71.6Confident75.6Confident35 Ų3563.1 Ų63.119%0.18734%0.339CS..Hα-helixtrans-91.1-5.8-174.8-73.2-1.6000113.9Q45 Y46 H51 S52 F57Q45-N49 PolarHBondContact NE2-ND2 3.46Å; Q45-N49 WeakPolarHBondContact O-CB 3.32Å; Q45-N49 PolarHBondContact O-N 3.26Å; Y46-N49 CarbonylContact O-C 3.6Å; Y46-N49 PolarHBondContact O-N 2.93Å; N49-H51 PolarHBondContact O-N 2.76Å; N49-H51 VanDerWaalsContact O-N 3.11Å; N49-S52 VanDerWaalsContact CA-OG 3.25Å; N49-S52 WeakPolarHBondContact CA-OG 3.22Å; N49-S52 WeakPolarHBondContact CB-OG 3.45Å; N49-S52 CarbonylContact O-C 3.59Å; N49-S52 WeakPolarHBondContact O-CA 3.43Å; N49-S52 PolarHBondContact O-N 2.96Å; N49-S52 PolarHBondContact O-OG 2.83Å; N49-F57 HydrophobicContact CB-CD1 4.23Å; N49-F57 HydrophobicContact CB-CE1 4.09Å
50I69.7Low75.3Confident72 Ų7265.7 Ų65.737%0.36935%0.35SS..THydrogen-bonded Turntrans-51.5-38.1179.2-80.7171000112.2Y46 F47Y46-I50 HydrophobicContact CD1-CD1 4.05Å; Y46-I50 HydrophobicContact CD1-CG1 4.23Å; Y46-I50 HydrophobicContact CE1-CD1 3.61Å; Y46-I50 HydrophobicContact CE1-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CG1 4.35Å; Y46-I50 WeakPolarHBondContact O-CG1 3.33Å; Y46-I50 PolarHBondContact O-N 2.94Å; F47-I50 HydrophobicContact CD1-CD1 3.5Å; F47-I50 HydrophobicContact CE1-CD1 4.1Å; F47-I50 HydrophobicContact CG-CD1 4.43Å
51H65.5Low75.2Confident176 Ų17666 Ų6682%0.81535%0.352SS*.THydrogen-bonded Turntrans-87.4-13.9179.6-62-63.8000113.5N49N49-H51 PolarHBondContact O-N 2.76Å; N49-H51 VanDerWaalsContact O-N 3.11Å
52S60.4Low75.1Confident37 Ų3767.2 Ų67.226%0.25936%0.357SS..SBendtrans-88.1121.4174.669.40000108.9N49 L54N49-S52 VanDerWaalsContact CA-OG 3.25Å; N49-S52 WeakPolarHBondContact CA-OG 3.22Å; N49-S52 WeakPolarHBondContact CB-OG 3.45Å; N49-S52 CarbonylContact O-C 3.59Å; N49-S52 WeakPolarHBondContact O-CA 3.43Å; N49-S52 PolarHBondContact O-N 2.96Å; N49-S52 PolarHBondContact O-OG 2.83Å; S52-L54 PolarHBondContact O-N 2.81Å
53N54.4Low75Confident171 Ų17166.9 Ų66.991%0.91436%0.356SS*.  trans-65.813.1172.2-73-20.4000113.5G55N53-G55 PolarHBondContact O-N 2.76Å; N53-G55 VanDerWaalsContact O-N 3.12Å
54L50.4Low75.1Confident129 Ų12966.6 Ų66.668%0.67535%0.354SS*.  trans-70.6106173.5-91.985000108.7S52 G56S52-L54 PolarHBondContact O-N 2.81Å; L54-G56 PolarHBondContact O-N 2.8Å
55G52Low75.2Confident86 Ų8669.2 Ų69.289%0.88736%0.364SS*.SBendtrans-63.897.4171.800000110.4N53N53-G55 PolarHBondContact O-N 2.76Å; N53-G55 VanDerWaalsContact O-N 3.12Å
56G59.5Low75.4Confident43 Ų4366.5 Ų66.544%0.44336%0.356SS..  trans170.371.4-177.500000109.9L54L54-G56 PolarHBondContact O-N 2.8Å
57F67.3Low75.6Confident85 Ų8566.2 Ų66.237%0.37336%0.363SS..  trans-87.7110.2171-58.3-60.5000108Y46 N49 F59Y46-F57 HydrophobicContact CD2-CB 3.95Å; Y46-F57 AromaticContact CD2-CD1 3.51Å; Y46-F57 HydrophobicContact CD2-CD1 3.51Å; Y46-F57 HydrophobicContact CD2-CD2 4.37Å; Y46-F57 HydrophobicContact CD2-CE1 4.08Å; Y46-F57 AromaticContact CD2-CG 3.68Å; Y46-F57 HydrophobicContact CD2-CG 3.68Å; Y46-F57 AromaticContact CE2-CD1 4Å; Y46-F57 HydrophobicContact CE2-CD1 4Å; Y46-F57 HydrophobicContact CE2-CD2 4.29Å; Y46-F57 HydrophobicContact CE2-CE1 4.21Å; Y46-F57 HydrophobicContact CE2-CE2 4.49Å; Y46-F57 HydrophobicContact CE2-CG 4.04Å; Y46-F57 HydrophobicContact CE2-CZ 4.45Å; N49-F57 HydrophobicContact CB-CD1 4.23Å; N49-F57 HydrophobicContact CB-CE1 4.09Å; F57-F59 HydrophobicContact CB-CE2 4.16Å; F57-F59 HydrophobicContact CB-CZ 4.33Å
58E74.3Confident76Confident107 Ų10769.9 Ų69.950%0.538%0.379SS..  trans-102.1125.5171.4-68.7-17417100109.2
59F85.4Confident76.5Confident8 Ų869 Ų694%0.03538%0.375CS..EExtended strand (participates in β ladder)trans-96.5154.1168.7-56.5-85.2000108.3F43 Y46 F57 Y75 A78F43-F59 AromaticContact CD1-CD1 3.76Å; F43-F59 HydrophobicContact CD1-CD1 3.76Å; F43-F59 AromaticContact CD1-CE1 3.6Å; F43-F59 HydrophobicContact CD1-CE1 3.6Å; F43-F59 HydrophobicContact CE1-CD1 4.06Å; F43-F59 AromaticContact CE1-CE1 3.97Å; F43-F59 HydrophobicContact CE1-CE1 3.97Å; F43-F59 HydrophobicContact CG-CD1 4.33Å; F43-F59 HydrophobicContact CG-CE1 4.49Å; Y46-F59 HydrophobicContact CD1-CE1 4.41Å; Y46-F59 AromaticContact CD2-CE1 3.99Å; Y46-F59 HydrophobicContact CD2-CE1 3.99Å; Y46-F59 AromaticContact CD2-CZ 3.71Å; Y46-F59 HydrophobicContact CD2-CZ 3.71Å; Y46-F59 HydrophobicContact CE2-CZ 4.32Å; Y46-F59 AromaticContact CG-CE1 3.77Å; Y46-F59 HydrophobicContact CG-CE1 3.77Å; Y46-F59 AromaticContact CG-CZ 3.99Å; Y46-F59 HydrophobicContact CG-CZ 3.99Å; F57-F59 HydrophobicContact CB-CE2 4.16Å; F57-F59 HydrophobicContact CB-CZ 4.33Å; F59-Y75 CarbonylContact C-O 3.52Å; F59-Y75 WeakPolarHBondContact CA-O 3.35Å; F59-Y75 HydrophobicContact CB-CD1 4.48Å; F59-Y75 WeakPolarHBondContact CB-O 3.36Å; F59-Y75 PolarHBondContact N-O 2.77Å; F59-Y75 CarbonylContact O-C 3.54Å; F59-Y75 WeakPolarHBondContact O-CA 3.3Å; F59-Y75 WeakPolarHBondContact O-CB 3.43Å; F59-Y75 PolarHBondContact O-N 2.85Å; F59-A78 HydrophobicContact CE1-CB 3.85Å; F59-A78 HydrophobicContact CE2-CB 4.03Å; F59-A78 VanDerWaalsContact CE2-N 3.28Å; F59-A78 HydrophobicContact CZ-CB 3.55Å
60K89.4Confident77.2Confident54 Ų5471 Ų7124%0.23539%0.385CS..EExtended strand (participates in β ladder)trans-133.4127.7-175.4-76.5160.5174.6-1350109.7D42 E72D42-K60 HydrophobicContact CB-CB 4.28Å; D42-K60 WeakPolarHBondContact CB-O 3.34Å; D42-K60 PolarHBondContact N-O 2.84Å; D42-K60 PolarHBondContact O-N 2.78Å; K60-E72 HydrophobicContact CB-CG 3.91Å; K60-E72 HydrophobicContact CD-CG 4.34Å; K60-E72 WeakPolarHBondContact CD-OE1 3.42Å; K60-E72 WeakPolarHBondContact CE-OE1 3.43Å; K60-E72 HydrophobicContact CG-CG 3.98Å; K60-E72 WeakPolarHBondContact CG-OE1 3.39Å; K60-E72 IonicContact NZ-OE1 2.64Å; K60-E72 PolarHBondContact NZ-OE1 2.8Å
61I91.3Very high78Confident6 Ų672 Ų723%0.03139%0.386CS..EExtended strand (participates in β ladder)trans-89108.1169.6-53.8-54.9000107.7I39 V40 A41 I63 E72 V73 Y75 I82 I99I39-I61 HydrophobicContact CG2-CG2 3.56Å; V40-I61 CarbonylContact O-C 3.52Å; V40-I61 WeakPolarHBondContact O-CA 3.49Å; A41-I61 HydrophobicContact CB-CD1 3.71Å; I61-I63 HydrophobicContact CG2-CG1 4.47Å; I61-E72 CarbonylContact O-C 3.52Å; I61-E72 VanDerWaalsContact O-CA 3.31Å; I61-E72 WeakPolarHBondContact O-CA 2.94Å; I61-V73 HydrophobicContact CB-CB 4.43Å; I61-V73 PolarHBondContact N-O 2.88Å; I61-V73 PolarHBondContact O-N 2.89Å; I61-Y75 HydrophobicContact CD1-CG 4.44Å; I61-Y75 HydrophobicContact CG1-CD2 4.06Å; I61-Y75 HydrophobicContact CG1-CG 4.25Å; I61-I82 HydrophobicContact CD1-CD1 3.84Å; I61-I99 HydrophobicContact CD1-CD1 3.94Å; I61-I99 HydrophobicContact CG1-CD1 3.86Å
62K93.3Very high79.1Confident26 Ų2666.8 Ų66.811%0.11336%0.362CS..EExtended strand (participates in β ladder)trans-99.4141.3178.7-70.7-176.1170.4167.10110.8L18 V40 D42 F64 F69 E72L18-K62 HydrophobicContact CD1-CD 4.15Å; V40-K62 PolarHBondContact N-O 2.76Å; V40-K62 PolarHBondContact O-N 2.93Å; D42-K62 HydrophobicContact CB-CD 4.09Å; D42-K62 HydrophobicContact CB-CG 4.35Å; D42-K62 WeakPolarHBondContact OD2-CE 3.2Å; D42-K62 IonicContact OD2-NZ 3.55Å; D42-K62 PolarHBondContact OD2-NZ 2.79Å; K62-F64 HydrophobicContact CB-CE2 3.72Å; K62-F64 HydrophobicContact CB-CZ 4.19Å; K62-F64 HydrophobicContact CD-CZ 4.45Å; K62-F69 HydrophobicContact CB-CE2 4.08Å; K62-F69 HydrophobicContact CD-CE2 4.39Å; K62-F69 HydrophobicContact CG-CE2 4Å; K62-E72 WeakPolarHBondContact CE-OE2 3.07Å; K62-E72 HydrophobicContact CG-CB 4.38Å; K62-E72 HydrophobicContact CG-CG 4.3Å
63I92.5Very high80.3Confident0 Ų066.3 Ų66.30%036%0.358CS..EExtended strand (participates in β ladder)trans-130129.9-171.6-54.7171.9000109.4E37 L38 I61 I70 K71 L111E37-I63 HydrophobicContact CB-CG2 4.11Å; E37-I63 HydrophobicContact CG-CG2 4.42Å; L38-I63 CarbonylContact O-C 3.47Å; L38-I63 VanDerWaalsContact O-CA 3.32Å; L38-I63 WeakPolarHBondContact O-CA 3.4Å; I61-I63 HydrophobicContact CG2-CG1 4.47Å; I63-I70 HydrophobicContact CG2-CD1 4.14Å; I63-I70 PolarHBondContact O-N 2.8Å; I63-K71 PolarHBondContact N-O 3.4Å; I63-L111 HydrophobicContact CD1-CD1 3.08Å; I63-L111 HydrophobicContact CD1-CD2 3.38Å; I63-L111 HydrophobicContact CD1-CG 3.8Å
64F93Very high81.6Confident3 Ų362 Ų621%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-124.7145.8-176.8-56.5-98000110.4V16 E37 L38 K62 K68 F69 Y428 M444V16-F64 HydrophobicContact CG1-CE1 4.12Å; V16-F64 HydrophobicContact CG1-CZ 3.81Å; E37-F64 WeakPolarHBondContact CA-O 3.31Å; L38-F64 HydrophobicContact CB-CB 4.23Å; L38-F64 HydrophobicContact CD2-CB 4.26Å; L38-F64 HydrophobicContact CD2-CD2 3.91Å; L38-F64 HydrophobicContact CD2-CG 4.31Å; L38-F64 HydrophobicContact CG-CD2 4.38Å; L38-F64 PolarHBondContact N-O 3.18Å; L38-F64 PolarHBondContact O-N 3.49Å; K62-F64 HydrophobicContact CB-CE2 3.72Å; K62-F64 HydrophobicContact CB-CZ 4.19Å; K62-F64 HydrophobicContact CD-CZ 4.45Å; F64-K68 WeakPolarHBondContact CA-O 3.26Å; F64-F69 HydrophobicContact CD1-CB 3.93Å; F64-F69 HydrophobicContact CD1-CD2 4.33Å; F64-F69 HydrophobicContact CE1-CB 3.83Å; F64-F69 AromaticContact CE1-CD2 3.91Å; F64-F69 HydrophobicContact CE1-CD2 3.91Å; F64-F69 HydrophobicContact CE1-CG 4.35Å; F64-F69 HydrophobicContact CZ-CD2 4.05Å; F64-Y428 WeakPolarHBondContact CB-OH 3.37Å; F64-M444 HydrophobicContact CD1-CE 4.16Å; F64-M444 HydrophobicContact CE1-CE 4.23Å; F64-M444 HydrophobicContact CE1-SD 4.43Å
65K89.9Confident83Confident65 Ų6556.3 Ų56.328%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-139.2127172.7-179.3172.6-166.5139.20109.6S33 T35 E37 T67 K68 I70 Y428S33-K65 PolarHBondContact OG-NZ 2.81Å; T35-K65 WeakPolarHBondContact OG1-CE 3.45Å; T35-K65 PolarHBondContact OG1-NZ 2.69Å; E37-K65 HydrophobicContact CG-CB 4.29Å; E37-K65 HydrophobicContact CG-CD 4.44Å; E37-K65 IonicContact OE1-NZ 3.43Å; E37-K65 PolarHBondContact OE1-NZ 2.98Å; K65-T67 PolarHBondContact O-N 2.96Å; K65-K68 PolarHBondContact N-O 2.98Å; K65-K68 PolarHBondContact O-N 3.29Å; K65-I70 HydrophobicContact CB-CD1 3.16Å; K65-I70 HydrophobicContact CB-CG1 3.81Å; K65-I70 HydrophobicContact CD-CD1 4.03Å; K65-I70 HydrophobicContact CG-CD1 4.25Å; K65-Y428 WeakPolarHBondContact CA-OH 3.39Å; K65-Y428 PolarHBondContact N-OH 2.84Å
66G86.7Confident83.8Confident18 Ų1860.7 Ų60.719%0.18630%0.304CS..THydrogen-bonded Turntrans54.9-122.4-168.400000110.4Y428G66-Y428 PolarHBondContact N-OH 3.16Å; G66-Y428 WeakPolarHBondContact O-CE1 3.26Å; G66-Y428 VanDerWaalsContact O-CZ 3.27Å; G66-Y428 PolarHBondContact O-OH 3.15Å
67T84.2Confident85Confident71 Ų7161.7 Ų61.744%0.43630%0.297SS..THydrogen-bonded Turntrans-96.90.4178.256.80000113.6K11 K65K11-T67 HydrophobicContact CB-CG2 4.15Å; K11-T67 HydrophobicContact CD-CG2 4.27Å; K11-T67 VanDerWaalsContact CE-O 3.26Å; K11-T67 WeakPolarHBondContact CE-O 3.49Å; K11-T67 HydrophobicContact CG-CG2 4.43Å; K11-T67 PolarHBondContact NZ-O 3.07Å; K65-T67 PolarHBondContact O-N 2.96Å
68K87.2Confident86Confident158 Ų15859.8 Ų59.869%0.68730%0.297SS*.EExtended strand (participates in β ladder)trans-106.2141.9-171.3-64.3-176.6-179.9-179.20111.7F64 K65F64-K68 WeakPolarHBondContact CA-O 3.26Å; K65-K68 PolarHBondContact N-O 2.98Å; K65-K68 PolarHBondContact O-N 3.29Å
69F87.8Confident86.9Confident99 Ų9955 Ų5543%0.43428%0.276SS..EExtended strand (participates in β ladder)trans-74.8131.5162.9168.5-100.3000108.7K62 F64 K71 E72K62-F69 HydrophobicContact CB-CE2 4.08Å; K62-F69 HydrophobicContact CD-CE2 4.39Å; K62-F69 HydrophobicContact CG-CE2 4Å; F64-F69 HydrophobicContact CD1-CB 3.93Å; F64-F69 HydrophobicContact CD1-CD2 4.33Å; F64-F69 HydrophobicContact CE1-CB 3.83Å; F64-F69 AromaticContact CE1-CD2 3.91Å; F64-F69 HydrophobicContact CE1-CD2 3.91Å; F64-F69 HydrophobicContact CE1-CG 4.35Å; F64-F69 HydrophobicContact CZ-CD2 4.05Å; F69-K71 VanDerWaalsContact CE2-O 3.25Å; F69-K71 WeakPolarHBondContact CE2-O 3.41Å; F69-E72 HydrophobicContact CE2-CB 4.03Å; F69-E72 HydrophobicContact CZ-CB 3.56Å
70I86.6Confident87.3Confident76 Ų7656 Ų5639%0.3928%0.283SS..EExtended strand (participates in β ladder)trans-101.1-55.6-177.7-57.1166.3000110.7E37 I63 K65E37-I70 HydrophobicContact CG-CD1 4.22Å; I63-I70 HydrophobicContact CG2-CD1 4.14Å; I63-I70 PolarHBondContact O-N 2.8Å; K65-I70 HydrophobicContact CB-CD1 3.16Å; K65-I70 HydrophobicContact CB-CG1 3.81Å; K65-I70 HydrophobicContact CD-CD1 4.03Å; K65-I70 HydrophobicContact CG-CD1 4.25Å
71K86.5Confident87.5Confident93 Ų9353.6 Ų53.640%0.40427%0.273SS..EExtended strand (participates in β ladder)trans-154.8148.2-165.5-172174-178.1-174.40110.3I63 F69 V73 L111I63-K71 PolarHBondContact N-O 3.4Å; F69-K71 VanDerWaalsContact CE2-O 3.25Å; F69-K71 WeakPolarHBondContact CE2-O 3.41Å; K71-V73 HydrophobicContact CD-CG2 4.38Å; K71-V73 HydrophobicContact CG-CG2 4.38Å; K71-L111 HydrophobicContact CD-CD1 4.21Å
72E88.7Confident87.7Confident67 Ų6753.7 Ų53.731%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-122.2140.2168171.9178.9129.700108.7K60 I61 K62 F69K60-E72 HydrophobicContact CB-CG 3.91Å; K60-E72 HydrophobicContact CD-CG 4.34Å; K60-E72 WeakPolarHBondContact CD-OE1 3.42Å; K60-E72 WeakPolarHBondContact CE-OE1 3.43Å; K60-E72 HydrophobicContact CG-CG 3.98Å; K60-E72 WeakPolarHBondContact CG-OE1 3.39Å; K60-E72 IonicContact NZ-OE1 2.64Å; K60-E72 PolarHBondContact NZ-OE1 2.8Å; I61-E72 CarbonylContact O-C 3.52Å; I61-E72 VanDerWaalsContact O-CA 3.31Å; I61-E72 WeakPolarHBondContact O-CA 2.94Å; K62-E72 WeakPolarHBondContact CE-OE2 3.07Å; K62-E72 HydrophobicContact CG-CB 4.38Å; K62-E72 HydrophobicContact CG-CG 4.3Å; F69-E72 HydrophobicContact CE2-CB 4.03Å; F69-E72 HydrophobicContact CZ-CB 3.56Å
73V86.5Confident87.8Confident27 Ų2753.9 Ų53.916%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-122.7123.4175.5-177.10000107.7I61 K71I61-V73 HydrophobicContact CB-CB 4.43Å; I61-V73 PolarHBondContact N-O 2.88Å; I61-V73 PolarHBondContact O-N 2.89Å; K71-V73 HydrophobicContact CD-CG2 4.38Å; K71-V73 HydrophobicContact CG-CG2 4.38Å
74P81.1Confident87.9Confident82 Ų8254.4 Ų54.453%0.53228%0.28SS..EExtended strand (participates in β ladder)trans-65.5144.517628.7-34.2000110.1
75Y79.2Confident87.9Confident8 Ų854.3 Ų54.33%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-142.4136.9-174.6-160.2-89.3000110.2F59 I61 E77 I99 A101 Y106 Y108F59-Y75 CarbonylContact C-O 3.52Å; F59-Y75 WeakPolarHBondContact CA-O 3.35Å; F59-Y75 HydrophobicContact CB-CD1 4.48Å; F59-Y75 WeakPolarHBondContact CB-O 3.36Å; F59-Y75 PolarHBondContact N-O 2.77Å; F59-Y75 CarbonylContact O-C 3.54Å; F59-Y75 WeakPolarHBondContact O-CA 3.3Å; F59-Y75 WeakPolarHBondContact O-CB 3.43Å; F59-Y75 PolarHBondContact O-N 2.85Å; I61-Y75 HydrophobicContact CD1-CG 4.44Å; I61-Y75 HydrophobicContact CG1-CD2 4.06Å; I61-Y75 HydrophobicContact CG1-CG 4.25Å; Y75-E77 WeakPolarHBondContact CD1-O 3.37Å; Y75-E77 WeakPolarHBondContact CE1-O 3.35Å; Y75-I99 HydrophobicContact CD2-CD1 4.32Å; Y75-I99 HydrophobicContact CE1-CG2 4.08Å; Y75-I99 HydrophobicContact CE2-CB 4.23Å; Y75-I99 HydrophobicContact CE2-CD1 3.87Å; Y75-I99 HydrophobicContact CE2-CG2 3.91Å; Y75-I99 VanDerWaalsContact CZ-CG2 3.47Å; Y75-I99 WeakPolarHBondContact OH-CG2 3.4Å; Y75-A101 HydrophobicContact CE1-CB 3.77Å; Y75-Y106 AromaticContact CZ-CD2 3.92Å; Y75-Y106 WeakPolarHBondContact OH-CD2 3.23Å; Y75-Y106 WeakPolarHBondContact OH-CE2 3.16Å; Y75-Y108 HydrophobicContact CE2-CE2 4.05Å; Y75-Y108 WeakPolarHBondContact CE2-OH 3.21Å
76F70.1Confident87.8Confident179 Ų17954.2 Ų54.279%0.78528%0.279SS*.SBendtrans-92.2-21.9-162.8-65.3-74.3000114.9
77E83.7Confident87.7Confident64 Ų6454.2 Ų54.230%0.29928%0.275SS..SBendtrans-130.6149-171.5-170.4165.6-152.300111.3Y75 P79 A101 G102Y75-E77 WeakPolarHBondContact CD1-O 3.37Å; Y75-E77 WeakPolarHBondContact CE1-O 3.35Å; E77-P79 WeakPolarHBondContact O-CD 3.41Å; E77-P79 VanDerWaalsContact O-N 3.17Å; E77-A101 HydrophobicContact CB-CB 3.91Å; E77-A101 HydrophobicContact CG-CB 3.98Å; E77-G102 VanDerWaalsContact CD-CA 3.43Å; E77-G102 WeakPolarHBondContact OE1-CA 3.26Å
78A88.2Confident87.3Confident44 Ų4456.9 Ų56.936%0.36428%0.281SS..  trans-63.1116.7-179.300000109.9F43 F59F43-A78 HydrophobicContact CE1-CB 4.28Å; F59-A78 HydrophobicContact CE1-CB 3.85Å; F59-A78 HydrophobicContact CE2-CB 4.03Å; F59-A78 VanDerWaalsContact CE2-N 3.28Å; F59-A78 HydrophobicContact CZ-CB 3.55Å
79P93.3Very high86.2Confident8 Ų852.1 Ų52.15%0.05228%0.276CS..EExtended strand (participates in β ladder)trans-74.1133.1179.826.5-28.9000110.8C24 A41 F43 E77 I82 I99 A100C24-P79 PolarHBondContact SG-O 2.87Å; A41-P79 HydrophobicContact CB-CB 4.41Å; A41-P79 HydrophobicContact CB-CG 3.32Å; F43-P79 HydrophobicContact CE1-CG 4.42Å; F43-P79 HydrophobicContact CE2-CG 4.17Å; F43-P79 HydrophobicContact CZ-CG 3.66Å; E77-P79 WeakPolarHBondContact O-CD 3.41Å; E77-P79 VanDerWaalsContact O-N 3.17Å; P79-I82 HydrophobicContact CB-CG1 4.49Å; P79-I99 HydrophobicContact CB-CG2 3.78Å; P79-A100 CarbonylContact C-O 3.57Å; P79-A100 VanDerWaalsContact CA-O 3.27Å; P79-A100 WeakPolarHBondContact CA-O 3.48Å
80S93.3Very high84.7Confident28 Ų2849 Ų4920%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-84.5-25.6173.5-55.30000111.7Q23 A100 V192Q23-S80 WeakPolarHBondContact CG-O 3.39Å; Q23-S80 PolarHBondContact NE2-O 2.93Å; S80-A100 PolarHBondContact N-O 3.09Å; S80-V192 WeakPolarHBondContact CB-O 3.23Å; S80-V192 PolarHBondContact OG-O 3.42Å
81G94.8Very high83.1Confident3 Ų353.3 Ų53.33%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-171.9152176.200000113.5Q23 A100Q23-G81 WeakPolarHBondContact O-CA 3.46Å; G81-A100 PolarHBondContact O-N 3.49Å
82I95.6Very high81.9Confident9 Ų955.3 Ų55.35%0.04630%0.297CS..EExtended strand (participates in β ladder)trans-128.4129.2179.1-58.2-177000109.2Q23 I39 A41 I61 P79 L97 A98 I99Q23-I82 PolarHBondContact O-N 3.09Å; I39-I82 HydrophobicContact CG2-CG2 4.45Å; A41-I82 HydrophobicContact CB-CD1 3.57Å; I61-I82 HydrophobicContact CD1-CD1 3.84Å; P79-I82 HydrophobicContact CB-CG1 4.49Å; I82-L97 HydrophobicContact CG2-CD1 3.46Å; I82-L97 VanDerWaalsContact CG2-CD1 3.46Å; I82-L97 HydrophobicContact CG2-CD2 4.4Å; I82-L97 HydrophobicContact CG2-CG 4.09Å; I82-A98 WeakPolarHBondContact CA-O 3.29Å; I82-I99 HydrophobicContact CG1-CG1 4.26Å; I82-I99 HydrophobicContact CG1-CG2 4.12Å; I82-I99 HydrophobicContact CG2-CG1 4.28Å
83I95.2Very high80.9Confident29 Ų2958.3 Ų58.315%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-143.3133.2179.4-157.7167.1000112.6A98 L195 K197 L211I83-A98 HydrophobicContact CG2-CB 4.12Å; I83-A98 PolarHBondContact N-O 3.28Å; I83-A98 PolarHBondContact O-N 2.84Å; I83-L195 HydrophobicContact CB-CD2 4.39Å; I83-L195 HydrophobicContact CG2-CD2 3.67Å; I83-L195 HydrophobicContact CG2-CG 3.96Å; I83-K197 HydrophobicContact CD1-CB 4Å; I83-K197 HydrophobicContact CD1-CD 3.83Å; I83-K197 HydrophobicContact CD1-CG 3.63Å; I83-K197 HydrophobicContact CG1-CD 4.06Å; I83-K197 HydrophobicContact CG1-CG 4.4Å; I83-L211 HydrophobicContact CG2-CD2 4.12Å
84P93.9Very high80.4Confident12 Ų1257.4 Ų57.48%0.07831%0.31CS..EExtended strand (participates in β ladder)trans-82.7135.4169.932.9-30.5000109.4C26 L27 L95 D96 K197C26-P84 HydrophobicContact CB-CG 4.38Å; L27-P84 WeakPolarHBondContact O-CG 3.38Å; P84-L95 HydrophobicContact CB-CB 4.1Å; P84-L95 HydrophobicContact CB-CD1 3.92Å; P84-L95 HydrophobicContact CG-CD1 4.44Å; P84-D96 CarbonylContact C-O 3.56Å; P84-D96 VanDerWaalsContact CA-O 3.27Å; P84-D96 WeakPolarHBondContact CA-O 3.3Å; P84-K197 WeakPolarHBondContact O-CD 3.38Å; P84-K197 VanDerWaalsContact O-CE 3.3Å; P84-K197 WeakPolarHBondContact O-CE 3.14Å; P84-K197 PolarHBondContact O-NZ 2.91Å
85F92.5Very high80.8Confident0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-143158.5-174.476.4-77.8000112C87 D96 A98 V107 K197 D209 L211 C225F85-C87 HydrophobicContact CE2-CB 3.85Å; F85-C87 HydrophobicContact CZ-CB 4.47Å; F85-D96 HydrophobicContact CD1-CB 4.36Å; F85-D96 WeakPolarHBondContact CD1-O 3.33Å; F85-D96 HydrophobicContact CE1-CB 3.78Å; F85-D96 HydrophobicContact CZ-CB 3.88Å; F85-D96 PolarHBondContact N-O 3.05Å; F85-D96 PolarHBondContact O-N 3.19Å; F85-A98 HydrophobicContact CD1-CB 3.8Å; F85-A98 HydrophobicContact CE1-CB 3.67Å; F85-V107 HydrophobicContact CE1-CG1 4Å; F85-V107 HydrophobicContact CE1-CG2 4.36Å; F85-V107 HydrophobicContact CZ-CG1 3.76Å; F85-V107 HydrophobicContact CZ-CG2 4.21Å; F85-K197 HydrophobicContact CB-CD 3.8Å; F85-D209 WeakPolarHBondContact CA-OD2 3.07Å; F85-D209 HydrophobicContact CB-CB 4.07Å; F85-D209 HydrophobicContact CD2-CB 4.43Å; F85-L211 HydrophobicContact CB-CD2 4.25Å; F85-L211 HydrophobicContact CD1-CD2 4.21Å; F85-L211 HydrophobicContact CD2-CD2 4.34Å; F85-L211 HydrophobicContact CG-CD2 4Å; F85-C225 HydrophobicContact CD2-CB 4.24Å; F85-C225 HydrophobicContact CE2-CB 3.49Å; F85-C225 VanDerWaalsContact CE2-CB 3.49Å; F85-C225 HydrophobicContact CZ-CB 4.3Å
86K89.5Confident81.3Confident64 Ų6454.7 Ų54.728%0.27829%0.292SS..  trans-88.8119.5176.6-65.8-177.7-178.7-172.10109.7L95 G204 S207 W208 D209K86-L95 HydrophobicContact CG-CD2 3.52Å; K86-G204 PolarHBondContact NZ-O 2.88Å; K86-S207 WeakPolarHBondContact CD-O 3.4Å; K86-W208 WeakPolarHBondContact O-CA 3.4Å; K86-W208 WeakPolarHBondContact O-CB 3.22Å; K86-D209 PolarHBondContact N-OD2 3Å; K86-D209 PolarHBondContact O-N 2.99Å
87C83.6Confident82.4Confident17 Ų1746.3 Ų46.312%0.11526%0.255CS..  trans-105137168-168.80000110.2F85 G89 D96F85-C87 HydrophobicContact CE2-CB 3.85Å; F85-C87 HydrophobicContact CZ-CB 4.47Å; C87-G89 PolarHBondContact O-N 3.42Å; C87-D96 VanDerWaalsContact CB-OD2 3.26Å; C87-D96 WeakPolarHBondContact CB-OD2 3.49Å
88K75.4Confident82.9Confident128 Ų12843.2 Ų43.256%0.55724%0.24SC*.THydrogen-bonded Turntrans-63.4133.3171.5-166.5-178.7-176.8174.90109.1W208 V226K88-W208 HydrophobicContact CB-CB 4.24Å; K88-W208 HydrophobicContact CB-CD2 4.01Å; K88-W208 HydrophobicContact CB-CE3 4.08Å; K88-W208 HydrophobicContact CB-CG 4.12Å; K88-W208 HydrophobicContact CD-CD2 4.3Å; K88-W208 HydrophobicContact CD-CE3 3.86Å; K88-W208 HydrophobicContact CD-CH2 3.99Å; K88-W208 HydrophobicContact CD-CZ2 4.39Å; K88-W208 HydrophobicContact CD-CZ3 3.71Å; K88-W208 HydrophobicContact CG-CE3 4.19Å; K88-W208 HydrophobicContact CG-CZ3 4.48Å; K88-V226 HydrophobicContact CB-CB 4.5Å; K88-V226 HydrophobicContact CB-CG1 4.24Å; K88-V226 HydrophobicContact CB-CG2 3.42Å; K88-V226 VanDerWaalsContact CB-CG2 3.42Å; K88-V226 HydrophobicContact CD-CG1 4.42Å
89G64Low83.2Confident57 Ų5741.2 Ų41.259%0.58822%0.224SC*.THydrogen-bonded Turntrans111.3-1.9-177.400000114.9C87C87-G89 PolarHBondContact O-N 3.42Å
90N57.4Low83.3Confident33 Ų3340.9 Ų40.918%0.17622%0.221CC..  trans-84.2125.6163.1-83.9-8000109.6K92 C94 D96 R109N90-K92 PolarHBondContact O-N 2.59Å; N90-C94 PolarHBondContact ND2-O 3.35Å; N90-D96 PolarHBondContact ND2-OD1 2.86Å; N90-R109 WeakPolarHBondContact OD1-CD 3.3Å; N90-R109 PolarHBondContact OD1-NH1 3.48Å
91D53.4Low83.3Confident167 Ų16739.5 Ų39.589%0.89321%0.212SC*.SBendtrans-62.6-1.4-179.2-75.4-36.5000114.7
92K59.6Low83.1Confident135 Ų13539.8 Ų39.859%0.58721%0.214SC*.SBendtrans-160177.6-162.1-63.5-176.5177.6176.50110.8D32 N90 C94D32-K92 WeakPolarHBondContact OD1-CB 3.35Å; D32-K92 WeakPolarHBondContact OD1-CD 3.41Å; D32-K92 WeakPolarHBondContact OD2-CD 3.43Å; D32-K92 WeakPolarHBondContact OD2-CE 3.5Å; D32-K92 IonicContact OD2-NZ 3.41Å; D32-K92 PolarHBondContact OD2-NZ 3.05Å; N90-K92 PolarHBondContact O-N 2.59Å; K92-C94 PolarHBondContact O-N 3.24Å
93N67.8Low82.9Confident130 Ų13039.9 Ų39.970%0.69522%0.215SC*.SBendtrans-6413.9175.4-76.7-29.2000115.3
94C77Confident82.8Confident9 Ų940.2 Ų40.26%0.06122%0.216CC..PPolyproline II helixtrans-70.6129.4-179.1-168.30000111.2I30 D32 N90 K92I30-C94 PolarHBondContact O-SG 2.99Å; D32-C94 HydrophobicContact CB-CB 4.04Å; N90-C94 PolarHBondContact ND2-O 3.35Å; K92-C94 PolarHBondContact O-N 3.24Å
95L88.6Confident82.7Confident31 Ų3139.7 Ų39.716%0.16221%0.213CC..PPolyproline II helixtrans-90.7140.7174.4-58.5177000110.4D29 P84 K86D29-L95 PolarHBondContact O-N 2.92Å; P84-L95 HydrophobicContact CB-CB 4.1Å; P84-L95 HydrophobicContact CB-CD1 3.92Å; P84-L95 HydrophobicContact CG-CD1 4.44Å; K86-L95 HydrophobicContact CG-CD2 3.52Å
96D91.1Very high82.7Confident2 Ų241.7 Ų41.71%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-88.4158.1166-66.4-21.6000109P84 F85 C87 N90 V107 R109P84-D96 CarbonylContact C-O 3.56Å; P84-D96 VanDerWaalsContact CA-O 3.27Å; P84-D96 WeakPolarHBondContact CA-O 3.3Å; F85-D96 HydrophobicContact CD1-CB 4.36Å; F85-D96 WeakPolarHBondContact CD1-O 3.33Å; F85-D96 HydrophobicContact CE1-CB 3.78Å; F85-D96 HydrophobicContact CZ-CB 3.88Å; F85-D96 PolarHBondContact N-O 3.05Å; F85-D96 PolarHBondContact O-N 3.19Å; C87-D96 VanDerWaalsContact CB-OD2 3.26Å; C87-D96 WeakPolarHBondContact CB-OD2 3.49Å; N90-D96 PolarHBondContact ND2-OD1 2.86Å; D96-V107 HydrophobicContact CB-CG1 4.35Å; D96-R109 WeakPolarHBondContact OD1-CD 3.4Å; D96-R109 VanDerWaalsContact OD1-CG 3.3Å; D96-R109 WeakPolarHBondContact OD1-CG 3.34Å
97L92.9Very high82.8Confident2 Ų238.7 Ų38.71%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-111.7121.2-177.1-175.672.6000109.8I30 I39 I82 I99 V107 Y108 L111I30-L97 HydrophobicContact CD1-CB 4.21Å; I30-L97 HydrophobicContact CD1-CD1 4.15Å; I30-L97 HydrophobicContact CD1-CD2 4.26Å; I30-L97 HydrophobicContact CD1-CG 4.45Å; I39-L97 HydrophobicContact CG2-CD1 4.49Å; I39-L97 HydrophobicContact CG2-CD2 3.96Å; I82-L97 HydrophobicContact CG2-CD1 3.46Å; I82-L97 VanDerWaalsContact CG2-CD1 3.46Å; I82-L97 HydrophobicContact CG2-CD2 4.4Å; I82-L97 HydrophobicContact CG2-CG 4.09Å; L97-I99 HydrophobicContact CD2-CD1 4.07Å; L97-I99 HydrophobicContact CD2-CG1 4.21Å; L97-I99 HydrophobicContact CG-CG1 4.23Å; L97-V107 CarbonylContact O-C 3.56Å; L97-V107 WeakPolarHBondContact O-CA 3.25Å; L97-Y108 PolarHBondContact N-O 3.37Å; L97-Y108 PolarHBondContact O-N 2.83Å; L97-L111 HydrophobicContact CD2-CD2 4.45Å
98A94.4Very high83Confident0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-99.6130.9170.700000110I82 I83 F85 I105 Y106 L195 L211I82-A98 WeakPolarHBondContact CA-O 3.29Å; I83-A98 HydrophobicContact CG2-CB 4.12Å; I83-A98 PolarHBondContact N-O 3.28Å; I83-A98 PolarHBondContact O-N 2.84Å; F85-A98 HydrophobicContact CD1-CB 3.8Å; F85-A98 HydrophobicContact CE1-CB 3.67Å; A98-I105 HydrophobicContact CB-CG2 4.17Å; A98-Y106 WeakPolarHBondContact CA-O 3.45Å; A98-L195 HydrophobicContact CB-CD2 4.27Å; A98-L211 HydrophobicContact CB-CD1 3.79Å; A98-L211 HydrophobicContact CB-CD2 4.13Å
99I95.1Very high83.6Confident2 Ų237 Ų371%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-121.7113.6174.8-53.6-179.4000107.6I61 Y75 P79 I82 L97 I105 Y106 Y108I61-I99 HydrophobicContact CD1-CD1 3.94Å; I61-I99 HydrophobicContact CG1-CD1 3.86Å; Y75-I99 HydrophobicContact CD2-CD1 4.32Å; Y75-I99 HydrophobicContact CE1-CG2 4.08Å; Y75-I99 HydrophobicContact CE2-CB 4.23Å; Y75-I99 HydrophobicContact CE2-CD1 3.87Å; Y75-I99 HydrophobicContact CE2-CG2 3.91Å; Y75-I99 VanDerWaalsContact CZ-CG2 3.47Å; Y75-I99 WeakPolarHBondContact OH-CG2 3.4Å; P79-I99 HydrophobicContact CB-CG2 3.78Å; I82-I99 HydrophobicContact CG1-CG1 4.26Å; I82-I99 HydrophobicContact CG1-CG2 4.12Å; I82-I99 HydrophobicContact CG2-CG1 4.28Å; L97-I99 HydrophobicContact CD2-CD1 4.07Å; L97-I99 HydrophobicContact CD2-CG1 4.21Å; L97-I99 HydrophobicContact CG-CG1 4.23Å; I99-I105 WeakPolarHBondContact O-CA 3.35Å; I99-Y106 PolarHBondContact N-O 2.77Å; I99-Y106 PolarHBondContact O-N 2.85Å; I99-Y108 HydrophobicContact CD1-CD2 3.99Å; I99-Y108 HydrophobicContact CD1-CE2 3.77Å; I99-Y108 HydrophobicContact CG1-CD2 4.31Å; I99-Y108 HydrophobicContact CG1-CE2 4.31Å
100A95.3Very high84.5Confident0 Ų039.9 Ų39.90%019%0.192CC..EExtended strand (participates in β ladder)trans-87.7125.3173.100000109.7P79 S80 G81 V192 L195P79-A100 CarbonylContact C-O 3.57Å; P79-A100 VanDerWaalsContact CA-O 3.27Å; P79-A100 WeakPolarHBondContact CA-O 3.48Å; S80-A100 PolarHBondContact N-O 3.09Å; G81-A100 PolarHBondContact O-N 3.49Å; A100-V192 HydrophobicContact CB-CB 4Å; A100-V192 HydrophobicContact CB-CG1 3.51Å; A100-V192 HydrophobicContact CB-CG2 4.26Å; A100-L195 HydrophobicContact CB-CB 4.11Å; A100-L195 HydrophobicContact CB-CD2 3.91Å; A100-L195 HydrophobicContact CB-CG 4.44Å
101A92.7Very high85.6Confident0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-151131.4176.200000109.2Y75 E77 F104 Y106Y75-A101 HydrophobicContact CE1-CB 3.77Å; E77-A101 HydrophobicContact CB-CB 3.91Å; E77-A101 HydrophobicContact CG-CB 3.98Å; A101-F104 PolarHBondContact N-O 3.24Å; A101-F104 PolarHBondContact O-N 3.47Å; A101-Y106 HydrophobicContact CB-CE2 4.31Å
102G90.3Very high87.1Confident8 Ų834.5 Ų34.58%0.08217%0.169CC..THydrogen-bonded Turntrans54.4-136.7-177.300000112.8E77 F104 V191 V192E77-G102 VanDerWaalsContact CD-CA 3.43Å; E77-G102 WeakPolarHBondContact OE1-CA 3.26Å; G102-F104 PolarHBondContact O-N 2.99Å; G102-V191 CarbonylContact O-C 3.59Å; G102-V191 WeakPolarHBondContact O-CA 3.47Å; G102-V192 PolarHBondContact O-N 3.24Å
103P91.6Very high88.3Confident11 Ų1132 Ų327%0.07117%0.169CC..THydrogen-bonded Turntrans-8216.7177.535.8-35.9000113.1L119 Q189 T190P103-L119 VanDerWaalsContact O-CD1 3.25Å; P103-L119 WeakPolarHBondContact O-CD1 3.32Å; P103-L119 PolarHBondContact O-N 3.17Å; P103-Q189 HydrophobicContact CB-CB 4.21Å; P103-T190 VanDerWaalsContact CA-O 3.26Å; P103-T190 WeakPolarHBondContact CA-O 3.26Å; P103-T190 WeakPolarHBondContact CB-O 3.33Å
104F92.8Very high89.1Confident36 Ų3631.4 Ų31.416%0.15816%0.157CC..EExtended strand (participates in β ladder)trans-131.7152.9-167.5-52.1-60.8000113.6A101 G102 Y106 K116 Y117 T118A101-F104 PolarHBondContact N-O 3.24Å; A101-F104 PolarHBondContact O-N 3.47Å; G102-F104 PolarHBondContact O-N 2.99Å; F104-Y106 HydrophobicContact CB-CD2 4.03Å; F104-Y106 HydrophobicContact CB-CE2 3.43Å; F104-Y106 VanDerWaalsContact CB-CE2 3.43Å; F104-Y106 HydrophobicContact CD2-CE2 4.22Å; F104-Y106 AromaticContact CD2-CZ 3.96Å; F104-Y106 WeakPolarHBondContact CD2-OH 3.36Å; F104-Y106 HydrophobicContact CG-CE2 4.24Å; F104-K116 HydrophobicContact CB-CG 4.42Å; F104-K116 HydrophobicContact CD1-CD 4.33Å; F104-K116 HydrophobicContact CG-CD 4.46Å; F104-Y117 VanDerWaalsContact CA-O 3.26Å; F104-Y117 WeakPolarHBondContact CA-O 3.35Å; F104-T118 HydrophobicContact CD1-CG2 3.9Å; F104-T118 WeakPolarHBondContact CD1-OG1 3.36Å; F104-T118 HydrophobicContact CE1-CG2 3.6Å; F104-T118 WeakPolarHBondContact CE1-OG1 3.44Å
105I93Very high89.6Confident2 Ų233.1 Ų33.11%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-122114.3167.7-51.3165.4000107.2A98 I99 Y117 L119 V192 L211 V213 Y223A98-I105 HydrophobicContact CB-CG2 4.17Å; I99-I105 WeakPolarHBondContact O-CA 3.35Å; I105-Y117 HydrophobicContact CD1-CD1 4.13Å; I105-Y117 PolarHBondContact N-O 2.91Å; I105-Y117 PolarHBondContact O-N 3.38Å; I105-L119 HydrophobicContact CD1-CD1 4.29Å; I105-L119 HydrophobicContact CG1-CD1 4.1Å; I105-V192 HydrophobicContact CG1-CG2 4.45Å; I105-L211 HydrophobicContact CG2-CD1 4.07Å; I105-V213 HydrophobicContact CD1-CG2 3.47Å; I105-V213 VanDerWaalsContact CD1-CG2 3.47Å; I105-V213 HydrophobicContact CG1-CG2 4.47Å; I105-Y223 HydrophobicContact CD1-CD2 4.1Å; I105-Y223 HydrophobicContact CD1-CE2 4.14Å
106Y91.4Very high89.6Confident41 Ų4136.3 Ų36.316%0.16118%0.175CC..EExtended strand (participates in β ladder)trans-96.1124.1179.9-60.3-95.9000108.8Y75 A98 I99 A101 F104 K116Y75-Y106 AromaticContact CZ-CD2 3.92Å; Y75-Y106 WeakPolarHBondContact OH-CD2 3.23Å; Y75-Y106 WeakPolarHBondContact OH-CE2 3.16Å; A98-Y106 WeakPolarHBondContact CA-O 3.45Å; I99-Y106 PolarHBondContact N-O 2.77Å; I99-Y106 PolarHBondContact O-N 2.85Å; A101-Y106 HydrophobicContact CB-CE2 4.31Å; F104-Y106 HydrophobicContact CB-CD2 4.03Å; F104-Y106 HydrophobicContact CB-CE2 3.43Å; F104-Y106 VanDerWaalsContact CB-CE2 3.43Å; F104-Y106 HydrophobicContact CD2-CE2 4.22Å; F104-Y106 AromaticContact CD2-CZ 3.96Å; F104-Y106 WeakPolarHBondContact CD2-OH 3.36Å; F104-Y106 HydrophobicContact CG-CE2 4.24Å; Y106-K116 HydrophobicContact CD1-CB 4.28Å; Y106-K116 HydrophobicContact CD1-CD 4.19Å; Y106-K116 HydrophobicContact CD1-CG 3.98Å; Y106-K116 HydrophobicContact CE1-CD 3.62Å; Y106-K116 HydrophobicContact CE1-CG 3.88Å
107V91.4Very high89.5Confident1 Ų138.4 Ų38.41%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-106.3128.6179.2177.60000109.3F85 D96 L97 Y114 Y115F85-V107 HydrophobicContact CE1-CG1 4Å; F85-V107 HydrophobicContact CE1-CG2 4.36Å; F85-V107 HydrophobicContact CZ-CG1 3.76Å; F85-V107 HydrophobicContact CZ-CG2 4.21Å; D96-V107 HydrophobicContact CB-CG1 4.35Å; L97-V107 CarbonylContact O-C 3.56Å; L97-V107 WeakPolarHBondContact O-CA 3.25Å; V107-Y114 HydrophobicContact CG1-CD1 4.33Å; V107-Y114 WeakPolarHBondContact O-CB 3.43Å; V107-Y114 PolarHBondContact O-N 3.4Å; V107-Y115 HydrophobicContact CB-CD1 4.11Å; V107-Y115 HydrophobicContact CB-CD2 4.1Å; V107-Y115 HydrophobicContact CB-CE1 3.8Å; V107-Y115 HydrophobicContact CB-CE2 3.79Å; V107-Y115 HydrophobicContact CB-CG 4.25Å; V107-Y115 HydrophobicContact CG1-CD1 4.24Å; V107-Y115 HydrophobicContact CG1-CE1 3.65Å; V107-Y115 HydrophobicContact CG1-CE2 4.44Å; V107-Y115 HydrophobicContact CG2-CD2 4.11Å; V107-Y115 HydrophobicContact CG2-CE1 4.17Å; V107-Y115 HydrophobicContact CG2-CE2 3.43Å; V107-Y115 VanDerWaalsContact CG2-CE2 3.43Å; V107-Y115 VanDerWaalsContact CG2-CZ 3.47Å; V107-Y115 PolarHBondContact N-O 3.12Å; V107-Y115 PolarHBondContact O-N 2.86Å
108Y88.5Confident89.4Confident30 Ų3041.4 Ų41.412%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-117.3131.9179.6-67.2-101.4000109.7Y75 L97 I99 S112Y75-Y108 HydrophobicContact CE2-CE2 4.05Å; Y75-Y108 WeakPolarHBondContact CE2-OH 3.21Å; L97-Y108 PolarHBondContact N-O 3.37Å; L97-Y108 PolarHBondContact O-N 2.83Å; I99-Y108 HydrophobicContact CD1-CD2 3.99Å; I99-Y108 HydrophobicContact CD1-CE2 3.77Å; I99-Y108 HydrophobicContact CG1-CD2 4.31Å; I99-Y108 HydrophobicContact CG1-CE2 4.31Å; Y108-S112 CarbonylContact C-O 3.57Å; Y108-S112 VanDerWaalsContact CA-O 3.28Å; Y108-S112 WeakPolarHBondContact CA-O 3.42Å
109R86.8Confident89.3Confident80 Ų8041.7 Ų41.730%0.30220%0.204SC..EExtended strand (participates in β ladder)trans-113.1122172.6-179.7154.674.2162.11.8109N90 D96 L111 S112 Y114N90-R109 WeakPolarHBondContact OD1-CD 3.3Å; N90-R109 PolarHBondContact OD1-NH1 3.48Å; D96-R109 WeakPolarHBondContact OD1-CD 3.4Å; D96-R109 VanDerWaalsContact OD1-CG 3.3Å; D96-R109 WeakPolarHBondContact OD1-CG 3.34Å; R109-L111 PolarHBondContact O-N 2.97Å; R109-L111 VanDerWaalsContact O-N 3.14Å; R109-S112 PolarHBondContact N-O 2.85Å; R109-S112 PolarHBondContact O-N 3.44Å; R109-Y114 HydrophobicContact CB-CG 4.19Å
110K83.7Confident88.9Confident118 Ų11843.5 Ų43.551%0.51322%0.215SC..THydrogen-bonded Turntrans50.435.6-172.3-59.4-180178.2179.80112.6S112K110-S112 PolarHBondContact O-N 3.36Å
111L81.1Confident88.5Confident10 Ų1047.6 Ų47.65%0.05224%0.244CC..THydrogen-bonded Turntrans63.911.4-176.2-48.7171.6000116.5I30 F31 I63 K71 L97 R109I30-L111 HydrophobicContact CD1-CD2 4.14Å; I30-L111 HydrophobicContact CG2-CD2 3.97Å; I30-L111 HydrophobicContact CG2-CG 4.04Å; F31-L111 HydrophobicContact CE1-CD1 3.66Å; F31-L111 HydrophobicContact CE1-CG 4.14Å; F31-L111 HydrophobicContact CE2-CD1 4.02Å; F31-L111 HydrophobicContact CZ-CD1 3.15Å; F31-L111 HydrophobicContact CZ-CG 3.97Å; I63-L111 HydrophobicContact CD1-CD1 3.08Å; I63-L111 HydrophobicContact CD1-CD2 3.38Å; I63-L111 HydrophobicContact CD1-CG 3.8Å; K71-L111 HydrophobicContact CD-CD1 4.21Å; L97-L111 HydrophobicContact CD2-CD2 4.45Å; R109-L111 PolarHBondContact O-N 2.97Å; R109-L111 VanDerWaalsContact O-N 3.14Å
112S84.7Confident88.3Confident77 Ų7749.6 Ų49.654%0.53825%0.254SS..EExtended strand (participates in β ladder)trans-92.9135.6165.2-65.20000108.3Y108 R109 K110 Y114Y108-S112 CarbonylContact C-O 3.57Å; Y108-S112 VanDerWaalsContact CA-O 3.28Å; Y108-S112 WeakPolarHBondContact CA-O 3.42Å; R109-S112 PolarHBondContact N-O 2.85Å; R109-S112 PolarHBondContact O-N 3.44Å; K110-S112 PolarHBondContact O-N 3.36Å; S112-Y114 PolarHBondContact O-N 2.82Å
113S85Confident88.1Confident83 Ų8357.7 Ų57.758%0.5829%0.29SS*.EExtended strand (participates in β ladder)trans-56125.8174-172.90000108.8
114Y84.7Confident87.8Confident117 Ų11758.5 Ų58.546%0.45930%0.296SS..EExtended strand (participates in β ladder)trans-107.5-57-175.2-176.6-129.9000110.9V107 R109 S112V107-Y114 HydrophobicContact CG1-CD1 4.33Å; V107-Y114 WeakPolarHBondContact O-CB 3.43Å; V107-Y114 PolarHBondContact O-N 3.4Å; R109-Y114 HydrophobicContact CB-CG 4.19Å; S112-Y114 PolarHBondContact O-N 2.82Å
115Y87Confident87.5Confident44 Ų4459 Ų5917%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-151.6168.617063.2-95.3000111.1V107 C225 H228V107-Y115 HydrophobicContact CB-CD1 4.11Å; V107-Y115 HydrophobicContact CB-CD2 4.1Å; V107-Y115 HydrophobicContact CB-CE1 3.8Å; V107-Y115 HydrophobicContact CB-CE2 3.79Å; V107-Y115 HydrophobicContact CB-CG 4.25Å; V107-Y115 HydrophobicContact CG1-CD1 4.24Å; V107-Y115 HydrophobicContact CG1-CE1 3.65Å; V107-Y115 HydrophobicContact CG1-CE2 4.44Å; V107-Y115 HydrophobicContact CG2-CD2 4.11Å; V107-Y115 HydrophobicContact CG2-CE1 4.17Å; V107-Y115 HydrophobicContact CG2-CE2 3.43Å; V107-Y115 VanDerWaalsContact CG2-CE2 3.43Å; V107-Y115 VanDerWaalsContact CG2-CZ 3.47Å; V107-Y115 PolarHBondContact N-O 3.12Å; V107-Y115 PolarHBondContact O-N 2.86Å; Y115-C225 PolarHBondContact OH-O 3.1Å; Y115-H228 AromaticContact CD1-CE1 3.88Å; Y115-H228 AromaticContact CE1-CE1 3.52Å; Y115-H228 AromaticContact CE2-CE1 3.74Å; Y115-H228 AromaticContact CE2-ND1 3.69Å; Y115-H228 AromaticContact CZ-CE1 3.42Å; Y115-H228 VanDerWaalsContact CZ-CE1 3.42Å; Y115-H228 AromaticContact CZ-ND1 3.75Å
116K88.9Confident87.3Confident98 Ų9864.9 Ų64.943%0.42633%0.33SS..EExtended strand (participates in β ladder)trans-126126177.4176.1-174174.4173.90108.7F104 Y106F104-K116 HydrophobicContact CB-CG 4.42Å; F104-K116 HydrophobicContact CD1-CD 4.33Å; F104-K116 HydrophobicContact CG-CD 4.46Å; Y106-K116 HydrophobicContact CD1-CB 4.28Å; Y106-K116 HydrophobicContact CD1-CD 4.19Å; Y106-K116 HydrophobicContact CD1-CG 3.98Å; Y106-K116 HydrophobicContact CE1-CD 3.62Å; Y106-K116 HydrophobicContact CE1-CG 3.88Å
117Y88.2Confident87.3Confident46 Ų4667.1 Ų67.118%0.1835%0.345CS..EExtended strand (participates in β ladder)trans-95.6140.6169.8-172.6-96.2000110F104 I105 L119 Y223F104-Y117 VanDerWaalsContact CA-O 3.26Å; F104-Y117 WeakPolarHBondContact CA-O 3.35Å; I105-Y117 HydrophobicContact CD1-CD1 4.13Å; I105-Y117 PolarHBondContact N-O 2.91Å; I105-Y117 PolarHBondContact O-N 3.38Å; Y117-L119 HydrophobicContact CD1-CD1 4.41Å; Y117-Y223 HydrophobicContact CD1-CE1 4.42Å; Y117-Y223 HydrophobicContact CD1-CE2 4.48Å; Y117-Y223 AromaticContact CE1-CD1 3.86Å; Y117-Y223 HydrophobicContact CE1-CD1 3.86Å; Y117-Y223 HydrophobicContact CE1-CD2 4.46Å; Y117-Y223 AromaticContact CE1-CE1 3.35Å; Y117-Y223 HydrophobicContact CE1-CE1 3.35Å; Y117-Y223 AromaticContact CE1-CE2 3.97Å; Y117-Y223 HydrophobicContact CE1-CE2 3.97Å; Y117-Y223 HydrophobicContact CE1-CG 4.39Å; Y117-Y223 AromaticContact CE1-CZ 3.38Å; Y117-Y223 HydrophobicContact CE2-CD1 4.25Å; Y117-Y223 HydrophobicContact CE2-CE1 4.31Å; Y117-Y223 AromaticContact CZ-CD1 3.65Å; Y117-Y223 AromaticContact CZ-CE1 3.3Å; Y117-Y223 AromaticContact CZ-CZ 3.86Å; Y117-Y223 WeakPolarHBondContact OH-CE1 3.26Å
118T90.8Very high87.2Confident65 Ų6567 Ų6740%0.39935%0.345SS..EExtended strand (participates in β ladder)trans-113.3127174.9-56.10000108.7F104F104-T118 HydrophobicContact CD1-CG2 3.9Å; F104-T118 WeakPolarHBondContact CD1-OG1 3.36Å; F104-T118 HydrophobicContact CE1-CG2 3.6Å; F104-T118 WeakPolarHBondContact CE1-OG1 3.44Å
119L91.3Very high87.3Confident7 Ų768.9 Ų68.94%0.03735%0.354CS..PPolyproline II helixtrans-62.5152.1178.1-86.974.5000110.9P103 I105 Y117 S121 T190 V192 V213 T215P103-L119 VanDerWaalsContact O-CD1 3.25Å; P103-L119 WeakPolarHBondContact O-CD1 3.32Å; P103-L119 PolarHBondContact O-N 3.17Å; I105-L119 HydrophobicContact CD1-CD1 4.29Å; I105-L119 HydrophobicContact CG1-CD1 4.1Å; Y117-L119 HydrophobicContact CD1-CD1 4.41Å; L119-S121 PolarHBondContact O-N 3.48Å; L119-T190 HydrophobicContact CB-CG2 4.06Å; L119-T190 HydrophobicContact CD2-CG2 3.71Å; L119-V192 HydrophobicContact CD1-CG2 3.54Å; L119-V192 HydrophobicContact CD2-CG2 3.7Å; L119-V192 HydrophobicContact CG-CG2 4.3Å; L119-V213 HydrophobicContact CD2-CG1 4.28Å; L119-T215 HydrophobicContact CD2-CG2 3.39Å
120P88.1Confident87.6Confident39 Ų3970.6 Ų70.625%0.25336%0.363SS..PPolyproline II helixtrans-52.5135.3177.2-26.434.3000112.3Y221 Y223P120-Y221 HydrophobicContact CG-CE1 4.02Å; P120-Y223 WeakPolarHBondContact CD-OH 3.4Å
121S86Confident88Confident86 Ų8665.8 Ų65.860%0.60134%0.343SS*.EExtended strand (participates in β ladder)trans-71140.9169.553.90000109.9L119L119-S121 PolarHBondContact O-N 3.48Å
122L88.3Confident88.6Confident42 Ų4265.7 Ų65.722%0.2234%0.342CS..EExtended strand (participates in β ladder)trans-97158.2175.2-58.6174.9000110.1K188 S217L122-K188 HydrophobicContact CB-CB 4.14Å; L122-K188 HydrophobicContact CB-CD 4.14Å; L122-K188 HydrophobicContact CB-CG 4.05Å; L122-K188 PolarHBondContact N-O 3.06Å; L122-K188 WeakPolarHBondContact O-CB 3.14Å; L122-S217 VanDerWaalsContact CD1-CB 3.44Å
123E86.9Confident89Confident178 Ų17865 Ų6583%0.83233%0.33SS*.PPolyproline II helixtrans-72.5127.7171.1-64.7-173.3167.900110
124P85.2Confident89.3Confident29 Ų2964.5 Ų64.519%0.18832%0.319CS..PPolyproline II helixtrans-68.716317429.6-33.5000110.9L126 F129 T160 L186 K188P124-L126 PolarHBondContact O-N 2.9Å; P124-F129 HydrophobicContact CG-CB 4.36Å; P124-F129 HydrophobicContact CG-CD2 4.01Å; P124-T160 HydrophobicContact CB-CG2 4.08Å; P124-L186 HydrophobicContact CB-CD2 3.88Å; P124-L186 HydrophobicContact CB-CG 4.38Å; P124-L186 HydrophobicContact CG-CD2 4.39Å; P124-K188 HydrophobicContact CB-CB 4.32Å
125N87.3Confident89.7Confident45 Ų4559 Ų5924%0.24130%0.297CS..PPolyproline II helixtrans-60.6133.6171.7176.4-61.4000109.4D127 E128 F129N125-D127 VanDerWaalsContact C-N 3.34Å; N125-D127 PolarHBondContact O-N 2.98Å; N125-D127 WeakPolarHBondContact OD1-CB 3.34Å; N125-D127 PolarHBondContact OD1-N 3.04Å; N125-E128 HydrophobicContact CB-CB 3.91Å; N125-E128 WeakPolarHBondContact O-CB 3.43Å; N125-E128 PolarHBondContact O-N 3.2Å; N125-E128 PolarHBondContact OD1-N 3.31Å; N125-F129 WeakPolarHBondContact O-CB 3.43Å; N125-F129 PolarHBondContact O-N 2.95Å
126L88.8Confident89.9Confident126 Ų12662 Ų6266%0.6631%0.308SS*.Hα-helixtrans-63-37-175-67.3175.6000113.1P124 F129 K130P124-L126 PolarHBondContact O-N 2.9Å; L126-F129 PolarHBondContact O-N 3.29Å; L126-K130 VanDerWaalsContact O-CG 3.29Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 3.1Å
127D89.6Confident90.1Very high88 Ų8863.1 Ų63.147%0.47132%0.315SS..Hα-helixtrans-73.1-40.3179.1-59.5-38.9000110.7N125 F129 K130 L131 I152N125-D127 VanDerWaalsContact C-N 3.34Å; N125-D127 PolarHBondContact O-N 2.98Å; N125-D127 WeakPolarHBondContact OD1-CB 3.34Å; N125-D127 PolarHBondContact OD1-N 3.04Å; D127-F129 VanDerWaalsContact C-N 3.33Å; D127-F129 PolarHBondContact O-N 3.28Å; D127-K130 PolarHBondContact O-N 3.29Å; D127-L131 WeakPolarHBondContact O-CG 3.32Å; D127-L131 PolarHBondContact O-N 3.21Å; D127-L131 VanDerWaalsContact O-N 3.08Å; D127-I152 HydrophobicContact CB-CD1 3.69Å; D127-I152 HydrophobicContact CB-CG1 4.4Å
128E91Very high90.1Very high0 Ų063.1 Ų63.10%033%0.329CS..Hα-helixtrans-58.2-46.6171.7-177-170-175.400111.2N125 L131 W132 L149 L159 T160 S163 L186N125-E128 HydrophobicContact CB-CB 3.91Å; N125-E128 WeakPolarHBondContact O-CB 3.43Å; N125-E128 PolarHBondContact O-N 3.2Å; N125-E128 PolarHBondContact OD1-N 3.31Å; E128-L131 PolarHBondContact O-N 3.17Å; E128-W132 PolarHBondContact O-N 3.46Å; E128-W132 VanDerWaalsContact O-N 3.13Å; E128-L149 HydrophobicContact CG-CD2 4.07Å; E128-L159 HydrophobicContact CB-CD2 4.06Å; E128-L159 HydrophobicContact CG-CD2 4.01Å; E128-L159 WeakPolarHBondContact OE2-CA 3.38Å; E128-T160 VanDerWaalsContact OE1-CB 3.28Å; E128-T160 WeakPolarHBondContact OE1-CB 3.28Å; E128-T160 WeakPolarHBondContact OE1-CG2 3.45Å; E128-T160 PolarHBondContact OE1-N 3.12Å; E128-T160 PolarHBondContact OE1-OG1 3.24Å; E128-T160 PolarHBondContact OE2-N 3.49Å; E128-T160 VanDerWaalsContact OE2-N 3.12Å; E128-S163 WeakPolarHBondContact OE1-CB 3.5Å; E128-S163 PolarHBondContact OE1-OG 3.48Å; E128-L186 HydrophobicContact CG-CD2 3.83Å
129F90.7Very high90.1Very high69 Ų6965 Ų6530%0.30334%0.337SS..Hα-helixtrans-59.5-49178.8-179.1-93.4000111.6P124 N125 L126 D127 L131 W132 E133 L186P124-F129 HydrophobicContact CG-CB 4.36Å; P124-F129 HydrophobicContact CG-CD2 4.01Å; N125-F129 WeakPolarHBondContact O-CB 3.43Å; N125-F129 PolarHBondContact O-N 2.95Å; L126-F129 PolarHBondContact O-N 3.29Å; D127-F129 VanDerWaalsContact C-N 3.33Å; D127-F129 PolarHBondContact O-N 3.28Å; F129-L131 VanDerWaalsContact C-N 3.31Å; F129-L131 PolarHBondContact O-N 3.15Å; F129-W132 PolarHBondContact O-N 3.4Å; F129-W132 VanDerWaalsContact O-N 3.16Å; F129-E133 HydrophobicContact CD1-CG 4.17Å; F129-E133 HydrophobicContact CE1-CG 3.74Å; F129-E133 WeakPolarHBondContact CE1-OE2 3.3Å; F129-E133 HydrophobicContact CZ-CG 3.99Å; F129-E133 PolarHBondContact O-N 3.12Å; F129-L186 HydrophobicContact CB-CD2 4.3Å; F129-L186 HydrophobicContact CD2-CB 4.18Å; F129-L186 HydrophobicContact CD2-CD2 4.44Å
130K92.4Very high90.1Very high116 Ų11665.1 Ų65.150%0.50434%0.337SS..Hα-helixtrans-58.3-40.7177.4-73.5170.1-174.2170.70112.5L126 D127 E133 Q134L126-K130 VanDerWaalsContact O-CG 3.29Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 3.1Å; D127-K130 PolarHBondContact O-N 3.29Å; K130-E133 PolarHBondContact O-N 2.99Å; K130-Q134 WeakPolarHBondContact O-CG 3.36Å; K130-Q134 PolarHBondContact O-N 3.35Å
131L92.5Very high90.3Very high17 Ų1766.1 Ų66.19%0.08934%0.343CS..Hα-helixtrans-64.1-41.8177.2-71.6-178.6000112.1D127 E128 F129 E133 Q134 A135 L140 L145 K148 L149 I152D127-L131 WeakPolarHBondContact O-CG 3.32Å; D127-L131 PolarHBondContact O-N 3.21Å; D127-L131 VanDerWaalsContact O-N 3.08Å; E128-L131 PolarHBondContact O-N 3.17Å; F129-L131 VanDerWaalsContact C-N 3.31Å; F129-L131 PolarHBondContact O-N 3.15Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-Q134 PolarHBondContact O-N 3.12Å; L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.12Å; L131-L140 HydrophobicContact CD2-CD1 4.08Å; L131-L140 WeakPolarHBondContact O-CD1 3.28Å; L131-L145 HydrophobicContact CB-CD1 3.79Å; L131-K148 HydrophobicContact CD1-CB 3.71Å; L131-K148 HydrophobicContact CD2-CB 3.83Å; L131-K148 HydrophobicContact CD2-CD 3.63Å; L131-K148 HydrophobicContact CD2-CG 4.34Å; L131-K148 HydrophobicContact CG-CB 4.46Å; L131-L149 HydrophobicContact CD1-CD2 3.85Å; L131-L149 HydrophobicContact CD1-CG 4.08Å; L131-I152 HydrophobicContact CD1-CD1 3.38Å; L131-I152 HydrophobicContact CD1-CG1 4.42Å; L131-I152 HydrophobicContact CG-CD1 4.24Å
132W93.5Very high90.5Very high8 Ų862.7 Ų62.73%0.0332%0.318CS..Hα-helixtrans-67.5-34175.4-81.4105.1000112.5E128 F129 A135 R136 L145 L149 R162 S163 Y166 F177 R182 L186E128-W132 PolarHBondContact O-N 3.46Å; E128-W132 VanDerWaalsContact O-N 3.13Å; F129-W132 PolarHBondContact O-N 3.4Å; F129-W132 VanDerWaalsContact O-N 3.16Å; W132-A135 PolarHBondContact O-N 2.9Å; W132-R136 WeakPolarHBondContact O-CB 3.26Å; W132-R136 PolarHBondContact O-N 3.12Å; W132-L145 HydrophobicContact CD2-CD2 4.29Å; W132-L145 HydrophobicContact CE3-CD2 3.99Å; W132-L145 HydrophobicContact CH2-CD2 3.82Å; W132-L145 HydrophobicContact CZ2-CD2 4.13Å; W132-L145 HydrophobicContact CZ3-CD2 3.75Å; W132-L149 HydrophobicContact CZ2-CD1 4.4Å; W132-R162 HydrophobicContact CH2-CG 4.14Å; W132-R162 HydrophobicContact CZ2-CG 3.78Å; W132-S163 PolarHBondContact NE1-OG 3.36Å; W132-Y166 HydrophobicContact CH2-CD2 4.25Å; W132-Y166 HydrophobicContact CH2-CG 4.34Å; W132-Y166 HydrophobicContact CZ2-CG 4.35Å; W132-F177 HydrophobicContact CH2-CE1 4.47Å; W132-R182 HydrophobicContact CZ3-CB 4.43Å; W132-L186 HydrophobicContact CG-CD1 4.12Å; W132-L186 HydrophobicContact CG-CD2 4.4Å
133E92.3Very high90.6Very high61 Ų6164.5 Ų64.529%0.28533%0.326SS..Hα-helixtrans-65.8-45172.2-71.7-151.7114.900112.4F129 K130 L131 A135 R136 E137F129-E133 HydrophobicContact CD1-CG 4.17Å; F129-E133 HydrophobicContact CE1-CG 3.74Å; F129-E133 WeakPolarHBondContact CE1-OE2 3.3Å; F129-E133 HydrophobicContact CZ-CG 3.99Å; F129-E133 PolarHBondContact O-N 3.12Å; K130-E133 PolarHBondContact O-N 2.99Å; L131-E133 VanDerWaalsContact C-N 3.34Å; E133-A135 VanDerWaalsContact C-N 3.28Å; E133-A135 PolarHBondContact O-N 2.69Å; E133-R136 WeakPolarHBondContact O-CB 3.16Å; E133-R136 PolarHBondContact O-N 2.77Å; E133-R136 VanDerWaalsContact O-N 3.09Å; E133-R136 IonicContact OE1-CZ 3.05Å; E133-R136 IonicContact OE1-NH1 3.89Å; E133-R136 IonicContact OE1-NH2 2.69Å; E133-R136 PolarHBondContact OE1-NH2 2.84Å; E133-E137 WeakPolarHBondContact O-CG 3.4Å; E133-E137 PolarHBondContact O-N 3.36Å
134Q92.8Very high90.9Very high74 Ų7460.5 Ų60.535%0.34631%0.307SS..Hα-helixtrans-60-39.5174.3-71.6176.8-1.200111.8K130 L131 E137 G138 N139 L140K130-Q134 WeakPolarHBondContact O-CG 3.36Å; K130-Q134 PolarHBondContact O-N 3.35Å; L131-Q134 PolarHBondContact O-N 3.12Å; Q134-E137 PolarHBondContact O-N 3.5Å; Q134-G138 PolarHBondContact O-N 3.49Å; Q134-N139 HydrophobicContact CB-CB 4.32Å; Q134-N139 WeakPolarHBondContact O-CB 3.34Å; Q134-N139 PolarHBondContact O-N 3.18Å; Q134-L140 HydrophobicContact CB-CD1 3.69Å; Q134-L140 HydrophobicContact CB-CG 3.87Å
135A91.4Very high91.3Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-66.3-35.8174.700000113L131 W132 E133 G138 L140 L145 F178L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.12Å; W132-A135 PolarHBondContact O-N 2.9Å; E133-A135 VanDerWaalsContact C-N 3.28Å; E133-A135 PolarHBondContact O-N 2.69Å; A135-G138 PolarHBondContact O-N 2.81Å; A135-L140 HydrophobicContact CB-CB 4.37Å; A135-L140 HydrophobicContact CB-CD1 4.49Å; A135-L145 HydrophobicContact CB-CD1 4.39Å; A135-L145 HydrophobicContact CB-CD2 3.95Å; A135-F178 HydrophobicContact CB-CE2 3.7Å; A135-F178 HydrophobicContact CB-CZ 4.02Å
136R92.4Very high91.5Very high107 Ų10758.9 Ų58.940%0.40429%0.294SS..Hα-helixtrans-64.7-42.4174.7-173.8-178.368.1-158.6-7.7111.5W132 E133 G138 R182W132-R136 WeakPolarHBondContact O-CB 3.26Å; W132-R136 PolarHBondContact O-N 3.12Å; E133-R136 WeakPolarHBondContact O-CB 3.16Å; E133-R136 PolarHBondContact O-N 2.77Å; E133-R136 VanDerWaalsContact O-N 3.09Å; E133-R136 IonicContact OE1-CZ 3.05Å; E133-R136 IonicContact OE1-NH1 3.89Å; E133-R136 IonicContact OE1-NH2 2.69Å; E133-R136 PolarHBondContact OE1-NH2 2.84Å; R136-G138 PolarHBondContact O-N 2.69Å; R136-R182 VanDerWaalsContact CB-O 3.25Å; R136-R182 WeakPolarHBondContact CB-O 3.29Å; R136-R182 WeakPolarHBondContact CG-O 3.32Å
137E92Very high91.6Very high122 Ų12257.4 Ų57.457%0.5728%0.283SS*.Hα-helixtrans-71-13.4177.4-69.6174178.500113.2E133 Q134 N139E133-E137 WeakPolarHBondContact O-CG 3.4Å; E133-E137 PolarHBondContact O-N 3.36Å; Q134-E137 PolarHBondContact O-N 3.5Å; E137-N139 PolarHBondContact OE2-ND2 3.33Å
138G88Confident91.6Very high46 Ų4656.8 Ų56.847%0.47428%0.277SS..THydrogen-bonded Turntrans87.712.7-179.200000114.2Q134 A135 R136 L140Q134-G138 PolarHBondContact O-N 3.49Å; A135-G138 PolarHBondContact O-N 2.81Å; R136-G138 PolarHBondContact O-N 2.69Å; G138-L140 VanDerWaalsContact C-N 3.31Å
139N91.9Very high91.5Very high105 Ų10556.8 Ų56.856%0.56128%0.277SS*.  trans-81.3-8.3179.7-64.8-36.6000113.5Q134 E137Q134-N139 HydrophobicContact CB-CB 4.32Å; Q134-N139 WeakPolarHBondContact O-CB 3.34Å; Q134-N139 PolarHBondContact O-N 3.18Å; E137-N139 PolarHBondContact OE2-ND2 3.33Å
140L90.4Very high91.4Very high9 Ų958.1 Ų58.15%0.04728%0.282CS..SBendtrans-128.1135.8178.1-62.4175.3000110.9L131 Q134 A135 G138 E144 L145 K148 F178L131-L140 HydrophobicContact CD2-CD1 4.08Å; L131-L140 WeakPolarHBondContact O-CD1 3.28Å; Q134-L140 HydrophobicContact CB-CD1 3.69Å; Q134-L140 HydrophobicContact CB-CG 3.87Å; A135-L140 HydrophobicContact CB-CB 4.37Å; A135-L140 HydrophobicContact CB-CD1 4.49Å; G138-L140 VanDerWaalsContact C-N 3.31Å; L140-E144 HydrophobicContact CD2-CB 4.42Å; L140-L145 HydrophobicContact CD1-CD1 4.11Å; L140-K148 HydrophobicContact CD1-CD 4.49Å; L140-K148 HydrophobicContact CD2-CD 3.98Å; L140-F178 WeakPolarHBondContact O-CZ 3.2Å
141T92.2Very high91.1Very high60 Ų6060.1 Ų60.137%0.36829%0.293SS..  trans-73.6158.3165.360.90000111E143 E144 L145T141-E143 PolarHBondContact O-N 2.96Å; T141-E144 PolarHBondContact N-OE2 3.28Å; T141-E144 PolarHBondContact O-N 3.43Å; T141-E144 VanDerWaalsContact OG1-CB 3.3Å; T141-E144 WeakPolarHBondContact OG1-CB 3.14Å; T141-E144 WeakPolarHBondContact OG1-CG 3.44Å; T141-E144 PolarHBondContact OG1-N 2.84Å; T141-E144 PolarHBondContact OG1-OE2 2.9Å; T141-L145 PolarHBondContact O-N 3.38Å
142P90.3Very high90.6Very high14 Ų1461.2 Ų61.29%0.09130%0.299CS..Hα-helixtrans-53.8-40.5176.5-26.835.4000113.3R146 Y166 L174 F178P142-R146 PolarHBondContact O-N 3.38Å; P142-R146 VanDerWaalsContact O-N 3.15Å; P142-Y166 WeakPolarHBondContact CA-OH 3.34Å; P142-Y166 WeakPolarHBondContact CB-OH 3.49Å; P142-Y166 PolarHBondContact O-OH 3.33Å; P142-L174 HydrophobicContact CB-CD2 4.15Å; P142-L174 HydrophobicContact CB-CG 4.32Å; P142-F178 HydrophobicContact CB-CB 4.14Å; P142-F178 HydrophobicContact CB-CD1 4.41Å; P142-F178 HydrophobicContact CB-CD2 4.13Å; P142-F178 HydrophobicContact CB-CG 3.99Å; P142-F178 HydrophobicContact CG-CB 4.17Å; P142-F178 HydrophobicContact CG-CD1 3.66Å; P142-F178 HydrophobicContact CG-CD2 4.19Å; P142-F178 HydrophobicContact CG-CE1 4Å; P142-F178 HydrophobicContact CG-CE2 4.48Å; P142-F178 HydrophobicContact CG-CG 3.75Å; P142-F178 HydrophobicContact CG-CZ 4.41Å
143E92.1Very high89.2Confident80 Ų8061.2 Ų61.237%0.37430%0.302SS..Hα-helixtrans-69-46.8179.9-6375.2-16800111.2T141 L145 R146 E147 H175T141-E143 PolarHBondContact O-N 2.96Å; E143-L145 PolarHBondContact O-N 3.42Å; E143-R146 WeakPolarHBondContact O-CB 3.27Å; E143-R146 PolarHBondContact O-N 2.96Å; E143-R146 VanDerWaalsContact O-N 3.12Å; E143-E147 PolarHBondContact O-N 3.34Å; E143-H175 IonicContact OE1-CE1 2.93Å; E143-H175 PolarHBondContact OE1-CE1 3.46Å; E143-H175 IonicContact OE1-NE2 3.02Å; E143-H175 PolarHBondContact OE1-NE2 3.17Å
144E93Very high87.8Confident94 Ų9463.6 Ų63.644%0.43933%0.325SS..Hα-helixtrans-61.5-42.2176.5-74.1164.216400112L140 T141 R146 E147 K148L140-E144 HydrophobicContact CD2-CB 4.42Å; T141-E144 PolarHBondContact N-OE2 3.28Å; T141-E144 PolarHBondContact O-N 3.43Å; T141-E144 VanDerWaalsContact OG1-CB 3.3Å; T141-E144 WeakPolarHBondContact OG1-CB 3.14Å; T141-E144 WeakPolarHBondContact OG1-CG 3.44Å; T141-E144 PolarHBondContact OG1-N 2.84Å; T141-E144 PolarHBondContact OG1-OE2 2.9Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 2.74Å; E144-E147 PolarHBondContact O-N 3.19Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 WeakPolarHBondContact O-CG 3.4Å; E144-K148 PolarHBondContact O-N 3.15Å
145L92Very high86.6Confident0 Ų063 Ų630%032%0.324CS..Hα-helixtrans-59-42.4174.9177.363.9000110.6L131 W132 A135 L140 T141 E143 L149 Y166 F178L131-L145 HydrophobicContact CB-CD1 3.79Å; W132-L145 HydrophobicContact CD2-CD2 4.29Å; W132-L145 HydrophobicContact CE3-CD2 3.99Å; W132-L145 HydrophobicContact CH2-CD2 3.82Å; W132-L145 HydrophobicContact CZ2-CD2 4.13Å; W132-L145 HydrophobicContact CZ3-CD2 3.75Å; A135-L145 HydrophobicContact CB-CD1 4.39Å; A135-L145 HydrophobicContact CB-CD2 3.95Å; L140-L145 HydrophobicContact CD1-CD1 4.11Å; T141-L145 PolarHBondContact O-N 3.38Å; E143-L145 PolarHBondContact O-N 3.42Å; L145-L149 HydrophobicContact CD1-CD1 3.88Å; L145-L149 HydrophobicContact CD1-CG 4.01Å; L145-L149 HydrophobicContact CD2-CD1 4.44Å; L145-L149 HydrophobicContact CG-CD1 3.83Å; L145-L149 HydrophobicContact CG-CG 4.36Å; L145-L149 VanDerWaalsContact O-CB 3.32Å; L145-L149 WeakPolarHBondContact O-CB 3.3Å; L145-L149 VanDerWaalsContact O-CG 3.26Å; L145-L149 WeakPolarHBondContact O-CG 3.38Å; L145-L149 PolarHBondContact O-N 2.89Å; L145-Y166 HydrophobicContact CB-CE1 4.23Å; L145-Y166 HydrophobicContact CD2-CD1 4.47Å; L145-Y166 HydrophobicContact CD2-CE1 3.89Å; L145-Y166 HydrophobicContact CG-CE1 3.92Å; L145-F178 HydrophobicContact CB-CE2 4.36Å; L145-F178 HydrophobicContact CD2-CD2 3.8Å; L145-F178 HydrophobicContact CD2-CE2 3.74Å
146R91.4Very high85.6Confident40 Ų4067.3 Ų67.315%0.15135%0.345CS..Hα-helixtrans-64.5-45.8-180-167.8-176-177160.56.8111.1P142 E143 E144 L149 K150 Y166 L167 L169P142-R146 PolarHBondContact O-N 3.38Å; P142-R146 VanDerWaalsContact O-N 3.15Å; E143-R146 WeakPolarHBondContact O-CB 3.27Å; E143-R146 PolarHBondContact O-N 2.96Å; E143-R146 VanDerWaalsContact O-N 3.12Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 2.74Å; R146-L149 PolarHBondContact O-N 3.09Å; R146-K150 WeakPolarHBondContact O-CG 3.4Å; R146-K150 PolarHBondContact O-N 3.41Å; R146-Y166 HydrophobicContact CB-CD1 4.38Å; R146-Y166 HydrophobicContact CB-CE1 3.78Å; R146-Y166 HydrophobicContact CG-CE1 4.35Å; R146-L167 HydrophobicContact CG-CD2 4.01Å; R146-L167 PolarHBondContact NH2-O 3.42Å; R146-L169 VanDerWaalsContact CZ-O 3.31Å; R146-L169 PolarHBondContact NH1-O 3.31Å; R146-L169 VanDerWaalsContact NH1-O 3.1Å; R146-L169 PolarHBondContact NH2-O 2.87Å
147E90.9Very high84.5Confident95 Ų9568.8 Ų68.844%0.44436%0.357SS..Hα-helixtrans-66.1-42.8178.7-67.3-52.1120.500112E143 E144 L149 K150 Q151E143-E147 PolarHBondContact O-N 3.34Å; E144-E147 PolarHBondContact O-N 3.19Å; E147-L149 PolarHBondContact O-N 3.42Å; E147-K150 WeakPolarHBondContact O-CB 3.39Å; E147-K150 PolarHBondContact O-N 2.92Å; E147-K150 IonicContact OE1-NZ 3.31Å; E147-K150 PolarHBondContact OE1-NZ 3.35Å; E147-K150 IonicContact OE2-NZ 3.28Å; E147-Q151 WeakPolarHBondContact O-CG 3.48Å; E147-Q151 PolarHBondContact O-N 2.83Å; E147-Q151 VanDerWaalsContact O-N 3.12Å
148K90.9Very high83.8Confident76 Ų7667.6 Ų67.633%0.3335%0.349SS..Hα-helixtrans-64.4-39.5175.7-70.9-177.1178.5-179.60112.4L131 L140 E144 K150 Q151 I152L131-K148 HydrophobicContact CD1-CB 3.71Å; L131-K148 HydrophobicContact CD2-CB 3.83Å; L131-K148 HydrophobicContact CD2-CD 3.63Å; L131-K148 HydrophobicContact CD2-CG 4.34Å; L131-K148 HydrophobicContact CG-CB 4.46Å; L140-K148 HydrophobicContact CD1-CD 4.49Å; L140-K148 HydrophobicContact CD2-CD 3.98Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 WeakPolarHBondContact O-CG 3.4Å; E144-K148 PolarHBondContact O-N 3.15Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.36Å; K148-Q151 WeakPolarHBondContact O-CB 3.37Å; K148-Q151 PolarHBondContact O-N 3.3Å; K148-I152 PolarHBondContact O-N 2.91Å
149L89.5Confident83.8Confident0 Ų065.7 Ų65.70%033%0.328CS..Hα-helixtrans-66.2-34.6174.3-75.2172000112.4E128 L131 W132 L145 R146 E147 Q151 I152 G153 Y166 L167E128-L149 HydrophobicContact CG-CD2 4.07Å; L131-L149 HydrophobicContact CD1-CD2 3.85Å; L131-L149 HydrophobicContact CD1-CG 4.08Å; W132-L149 HydrophobicContact CZ2-CD1 4.4Å; L145-L149 HydrophobicContact CD1-CD1 3.88Å; L145-L149 HydrophobicContact CD1-CG 4.01Å; L145-L149 HydrophobicContact CD2-CD1 4.44Å; L145-L149 HydrophobicContact CG-CD1 3.83Å; L145-L149 HydrophobicContact CG-CG 4.36Å; L145-L149 VanDerWaalsContact O-CB 3.32Å; L145-L149 WeakPolarHBondContact O-CB 3.3Å; L145-L149 VanDerWaalsContact O-CG 3.26Å; L145-L149 WeakPolarHBondContact O-CG 3.38Å; L145-L149 PolarHBondContact O-N 2.89Å; R146-L149 PolarHBondContact O-N 3.09Å; E147-L149 PolarHBondContact O-N 3.42Å; L149-Q151 VanDerWaalsContact C-N 3.3Å; L149-Q151 PolarHBondContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 2.96Å; L149-G153 PolarHBondContact O-N 3.46Å; L149-Y166 HydrophobicContact CD1-CD1 3.88Å; L149-Y166 HydrophobicContact CD1-CE1 4.47Å; L149-L167 HydrophobicContact CB-CD1 4.47Å; L149-L167 HydrophobicContact CB-CD2 3.94Å; L149-L167 HydrophobicContact CB-CG 4.41Å
150K88.2Confident83.6Confident97 Ų9760.8 Ų60.842%0.42230%0.302SS..Hα-helixtrans-63.1-37.2172.8-74.4174.5-175.81690111.9R146 E147 K148 I152 G153 L167R146-K150 WeakPolarHBondContact O-CG 3.4Å; R146-K150 PolarHBondContact O-N 3.41Å; E147-K150 WeakPolarHBondContact O-CB 3.39Å; E147-K150 PolarHBondContact O-N 2.92Å; E147-K150 IonicContact OE1-NZ 3.31Å; E147-K150 PolarHBondContact OE1-NZ 3.35Å; E147-K150 IonicContact OE2-NZ 3.28Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K148-K150 PolarHBondContact O-N 3.36Å; K150-I152 VanDerWaalsContact C-N 3.34Å; K150-G153 PolarHBondContact O-N 2.63Å; K150-G153 VanDerWaalsContact O-N 3.15Å; K150-L167 HydrophobicContact CG-CD2 3.58Å
151Q85.8Confident83.4Confident157 Ų15765 Ų6573%0.73433%0.332SS*.Hα-helixtrans-65.2-36.6178.2-68.6171.70.900112.3E147 K148 L149 G153E147-Q151 WeakPolarHBondContact O-CG 3.48Å; E147-Q151 PolarHBondContact O-N 2.83Å; E147-Q151 VanDerWaalsContact O-N 3.12Å; K148-Q151 WeakPolarHBondContact O-CB 3.37Å; K148-Q151 PolarHBondContact O-N 3.3Å; L149-Q151 VanDerWaalsContact C-N 3.3Å; L149-Q151 PolarHBondContact O-N 3.11Å; Q151-G153 VanDerWaalsContact C-N 3.34Å
152I81.7Confident83.3Confident41 Ų4163.8 Ų63.821%0.2132%0.321CS..Hα-helixtrans-71-32.4172.2-59.6173.8000111.2D127 L131 K148 L149 K150 S154 L159D127-I152 HydrophobicContact CB-CD1 3.69Å; D127-I152 HydrophobicContact CB-CG1 4.4Å; L131-I152 HydrophobicContact CD1-CD1 3.38Å; L131-I152 HydrophobicContact CD1-CG1 4.42Å; L131-I152 HydrophobicContact CG-CD1 4.24Å; K148-I152 PolarHBondContact O-N 2.91Å; L149-I152 PolarHBondContact O-N 2.96Å; K150-I152 VanDerWaalsContact C-N 3.34Å; I152-S154 PolarHBondContact O-N 3.41Å; I152-L159 HydrophobicContact CG2-CD2 4Å
153G64.9Low83.4Confident8 Ų863.1 Ų63.18%0.08232%0.317CS..G310 helixtrans-71.418.2-165.700000117.9L149 K150 Q151 D155 M156L149-G153 PolarHBondContact O-N 3.46Å; K150-G153 PolarHBondContact O-N 2.63Å; K150-G153 VanDerWaalsContact O-N 3.15Å; Q151-G153 VanDerWaalsContact C-N 3.34Å; G153-D155 PolarHBondContact O-N 2.95Å; G153-D155 VanDerWaalsContact O-N 3.17Å; G153-M156 WeakPolarHBondContact O-CG 3.25Å; G153-M156 PolarHBondContact O-N 3.35Å
154S62.8Low83.2Confident111 Ų11161.5 Ų61.578%0.77631%0.31SS*.G310 helixtrans-54.1-31.2167.548.60000111.3I152I152-S154 PolarHBondContact O-N 3.41Å
155D67.7Low83Confident62 Ų6264.1 Ų64.133%0.33232%0.316SS..G310 helixtrans-112.169.1171.6-73.6-29.4000112.2G153 H157 K158G153-D155 PolarHBondContact O-N 2.95Å; G153-D155 VanDerWaalsContact O-N 3.17Å; D155-H157 PolarHBondContact O-N 3.37Å; D155-H157 IonicContact OD1-CE1 3.66Å; D155-H157 PolarHBondContact OD1-CE1 2.91Å; D155-K158 HydrophobicContact CB-CB 4.35Å; D155-K158 HydrophobicContact CB-CD 3.77Å; D155-K158 HydrophobicContact CB-CG 4Å; D155-K158 PolarHBondContact O-N 3.44Å; D155-K158 VanDerWaalsContact OD2-CE 3.31Å; D155-K158 WeakPolarHBondContact OD2-CE 3.21Å; D155-K158 IonicContact OD2-NZ 2.66Å; D155-K158 PolarHBondContact OD2-NZ 2.88Å
156M69.3Low83Confident90 Ų9064.1 Ų64.144%0.44332%0.316SS..G310 helixtrans-46.2-31.1177.8-74.6-74.7179.200114.4G153 K158 L159 I164 L167G153-M156 WeakPolarHBondContact O-CG 3.25Å; G153-M156 PolarHBondContact O-N 3.35Å; M156-K158 VanDerWaalsContact C-N 3.26Å; M156-K158 PolarHBondContact O-N 3.1Å; M156-L159 PolarHBondContact O-N 2.78Å; M156-L159 HydrophobicContact SD-CD1 4.23Å; M156-I164 WeakPolarHBondContact O-CD1 3.31Å; M156-L167 HydrophobicContact CE-CD1 3.82Å; M156-L167 HydrophobicContact SD-CD1 3.75Å
157H69.2Low82.9Confident138 Ų13863 Ų6364%0.63931%0.313SS*.G310 helixtrans-69.5-16.9179.466.6-84.1000114.3D155D155-H157 PolarHBondContact O-N 3.37Å; D155-H157 IonicContact OD1-CE1 3.66Å; D155-H157 PolarHBondContact OD1-CE1 2.91Å
158K77.7Confident82.8Confident96 Ų9665.7 Ų65.742%0.41733%0.325SS..G310 helixtrans-84.8-23.5176.9-69.6179.7-178.1162.60112.8D155 M156 K188D155-K158 HydrophobicContact CB-CB 4.35Å; D155-K158 HydrophobicContact CB-CD 3.77Å; D155-K158 HydrophobicContact CB-CG 4Å; D155-K158 PolarHBondContact O-N 3.44Å; D155-K158 VanDerWaalsContact OD2-CE 3.31Å; D155-K158 WeakPolarHBondContact OD2-CE 3.21Å; D155-K158 IonicContact OD2-NZ 2.66Å; D155-K158 PolarHBondContact OD2-NZ 2.88Å; M156-K158 VanDerWaalsContact C-N 3.26Å; M156-K158 PolarHBondContact O-N 3.1Å; K158-K188 PolarHBondContact O-NZ 2.91Å
159L87Confident82.7Confident7 Ų763.1 Ų63.14%0.03732%0.315CS..SBendtrans-72.2156.4-179.2-63178.4000111.9E128 I152 M156 I164 L167E128-L159 HydrophobicContact CB-CD2 4.06Å; E128-L159 HydrophobicContact CG-CD2 4.01Å; E128-L159 WeakPolarHBondContact OE2-CA 3.38Å; I152-L159 HydrophobicContact CG2-CD2 4Å; M156-L159 PolarHBondContact O-N 2.78Å; M156-L159 HydrophobicContact SD-CD1 4.23Å; L159-I164 HydrophobicContact CB-CG1 4.09Å; L159-L167 HydrophobicContact CD1-CD1 3.93Å
160T88.8Confident82.7Confident2 Ų266.6 Ų66.61%0.01234%0.338CS..  trans-70.6158.7171.8680000112.1P124 E128 R162 S163 I164 L186 K188P124-T160 HydrophobicContact CB-CG2 4.08Å; E128-T160 VanDerWaalsContact OE1-CB 3.28Å; E128-T160 WeakPolarHBondContact OE1-CB 3.28Å; E128-T160 WeakPolarHBondContact OE1-CG2 3.45Å; E128-T160 PolarHBondContact OE1-N 3.12Å; E128-T160 PolarHBondContact OE1-OG1 3.24Å; E128-T160 PolarHBondContact OE2-N 3.49Å; E128-T160 VanDerWaalsContact OE2-N 3.12Å; T160-R162 PolarHBondContact O-N 3.21Å; T160-R162 VanDerWaalsContact O-N 3.17Å; T160-S163 PolarHBondContact O-N 3.48Å; T160-S163 VanDerWaalsContact O-N 3.12Å; T160-S163 PolarHBondContact OG1-N 3.46Å; T160-I164 WeakPolarHBondContact O-CG1 3.42Å; T160-I164 PolarHBondContact O-N 2.86Å; T160-L186 HydrophobicContact CG2-CD1 4.09Å; T160-L186 HydrophobicContact CG2-CD2 4.19Å; T160-L186 HydrophobicContact CG2-CG 4.02Å; T160-L186 WeakPolarHBondContact OG1-CD1 3.14Å; T160-K188 HydrophobicContact CG2-CB 3.88Å; T160-K188 HydrophobicContact CG2-CG 4.19Å
161S86.8Confident82.5Confident97 Ų9766.4 Ų66.468%0.67834%0.344SS*.Hα-helixtrans-56.3-30.317358.20000112.8R165S161-R165 WeakPolarHBondContact O-CB 3.35Å; S161-R165 PolarHBondContact O-N 3.23Å
162R90.1Very high82.6Confident34 Ų3465 Ų6513%0.12834%0.342CS..Hα-helixtrans-62.8-50.8174.9-175.4-175.2-62.1175.16.2111.3W132 T160 R165 Y166 F177 Y181 I184 P185 L186W132-R162 HydrophobicContact CH2-CG 4.14Å; W132-R162 HydrophobicContact CZ2-CG 3.78Å; T160-R162 PolarHBondContact O-N 3.21Å; T160-R162 VanDerWaalsContact O-N 3.17Å; R162-R165 PolarHBondContact O-N 3Å; R162-Y166 WeakPolarHBondContact O-CB 3.46Å; R162-Y166 PolarHBondContact O-N 3.06Å; R162-F177 HydrophobicContact CG-CE1 4.02Å; R162-F177 HydrophobicContact CG-CZ 4.17Å; R162-Y181 PolarHBondContact NH1-O 3.38Å; R162-I184 PolarHBondContact NH1-O 3.17Å; R162-P185 PolarHBondContact NH1-O 3Å; R162-P185 PolarHBondContact NH2-O 3.49Å; R162-L186 HydrophobicContact CB-CD1 4.26Å
163S90.9Very high83Confident0 Ų066.7 Ų66.70%035%0.351CS..Hα-helixtrans-68.1-41.3179.8-62.80000111.9E128 W132 T160 R165 Y166 L167E128-S163 WeakPolarHBondContact OE1-CB 3.5Å; E128-S163 PolarHBondContact OE1-OG 3.48Å; W132-S163 PolarHBondContact NE1-OG 3.36Å; T160-S163 PolarHBondContact O-N 3.48Å; T160-S163 VanDerWaalsContact O-N 3.12Å; T160-S163 PolarHBondContact OG1-N 3.46Å; S163-R165 VanDerWaalsContact C-N 3.34Å; S163-R165 PolarHBondContact O-N 3.29Å; S163-Y166 WeakPolarHBondContact O-CB 3.44Å; S163-Y166 PolarHBondContact O-N 3.41Å; S163-L167 VanDerWaalsContact O-CG 3.28Å; S163-L167 WeakPolarHBondContact O-CG 3.47Å; S163-L167 PolarHBondContact O-N 3.22Å
164I89.7Confident84.2Confident47 Ų4766.4 Ų66.424%0.24135%0.348CS..Hα-helixtrans-59.1-47.7175.5-64.4167.5000110.2M156 L159 T160 Y166 L167 Q168M156-I164 WeakPolarHBondContact O-CD1 3.31Å; L159-I164 HydrophobicContact CB-CG1 4.09Å; T160-I164 WeakPolarHBondContact O-CG1 3.42Å; T160-I164 PolarHBondContact O-N 2.86Å; I164-Y166 VanDerWaalsContact C-N 3.34Å; I164-Y166 PolarHBondContact O-N 2.86Å; I164-L167 PolarHBondContact O-N 2.71Å; I164-Q168 WeakPolarHBondContact O-CG 3.38Å; I164-Q168 PolarHBondContact O-N 2.94Å; I164-Q168 VanDerWaalsContact O-N 3.13Å
165R88.6Confident85.5Confident149 Ų14965.2 Ų65.256%0.56233%0.33SS*.Hα-helixtrans-60.7-44.4175.7-176.2168.5-178.5160.91.4111.2S161 R162 S163 L167 Q168 L169 F177S161-R165 WeakPolarHBondContact O-CB 3.35Å; S161-R165 PolarHBondContact O-N 3.23Å; R162-R165 PolarHBondContact O-N 3Å; S163-R165 VanDerWaalsContact C-N 3.34Å; S163-R165 PolarHBondContact O-N 3.29Å; R165-L167 VanDerWaalsContact C-N 3.32Å; R165-L167 PolarHBondContact O-N 3.04Å; R165-Q168 PolarHBondContact O-N 3.4Å; R165-L169 WeakPolarHBondContact O-CG 3.42Å; R165-L169 PolarHBondContact O-N 3.09Å; R165-L169 VanDerWaalsContact O-N 3.07Å; R165-F177 HydrophobicContact CB-CZ 4.48Å; R165-F177 HydrophobicContact CG-CE2 4.06Å; R165-F177 HydrophobicContact CG-CZ 4.26Å
166Y91.1Very high86.6Confident0 Ų068.6 Ų68.60%034%0.343CS..Hα-helixtrans-57.7-43.4177.9-168.4-108.6000112.7W132 P142 L145 R146 L149 R162 S163 I164 Q168 L169 L174 F177 F178W132-Y166 HydrophobicContact CH2-CD2 4.25Å; W132-Y166 HydrophobicContact CH2-CG 4.34Å; W132-Y166 HydrophobicContact CZ2-CG 4.35Å; P142-Y166 WeakPolarHBondContact CA-OH 3.34Å; P142-Y166 WeakPolarHBondContact CB-OH 3.49Å; P142-Y166 PolarHBondContact O-OH 3.33Å; L145-Y166 HydrophobicContact CB-CE1 4.23Å; L145-Y166 HydrophobicContact CD2-CD1 4.47Å; L145-Y166 HydrophobicContact CD2-CE1 3.89Å; L145-Y166 HydrophobicContact CG-CE1 3.92Å; R146-Y166 HydrophobicContact CB-CD1 4.38Å; R146-Y166 HydrophobicContact CB-CE1 3.78Å; R146-Y166 HydrophobicContact CG-CE1 4.35Å; L149-Y166 HydrophobicContact CD1-CD1 3.88Å; L149-Y166 HydrophobicContact CD1-CE1 4.47Å; R162-Y166 WeakPolarHBondContact O-CB 3.46Å; R162-Y166 PolarHBondContact O-N 3.06Å; S163-Y166 WeakPolarHBondContact O-CB 3.44Å; S163-Y166 PolarHBondContact O-N 3.41Å; I164-Y166 VanDerWaalsContact C-N 3.34Å; I164-Y166 PolarHBondContact O-N 2.86Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.24Å; Y166-L169 PolarHBondContact O-N 2.72Å; Y166-L174 HydrophobicContact CD1-CD1 4.33Å; Y166-L174 HydrophobicContact CD2-CD1 3.82Å; Y166-L174 HydrophobicContact CE1-CD1 3.91Å; Y166-L174 HydrophobicContact CE2-CD1 3.36Å; Y166-L174 HydrophobicContact CE2-CG 3.92Å; Y166-L174 HydrophobicContact CG-CD1 4.29Å; Y166-L174 VanDerWaalsContact CZ-CD1 3.4Å; Y166-F177 AromaticContact CD2-CD1 3.56Å; Y166-F177 HydrophobicContact CD2-CD1 3.56Å; Y166-F177 HydrophobicContact CD2-CE1 4.01Å; Y166-F177 HydrophobicContact CD2-CG 4.47Å; Y166-F177 HydrophobicContact CE2-CD1 4.22Å; Y166-F178 HydrophobicContact CE2-CB 4.03Å; Y166-F178 HydrophobicContact CE2-CD2 4.42Å
167L90.4Very high87.6Confident16 Ų1665.2 Ų65.28%0.08433%0.326CS..Hα-helixtrans-66.3-32.7178-69.9174.5000112.9R146 L149 K150 M156 L159 S163 I164 R165R146-L167 HydrophobicContact CG-CD2 4.01Å; R146-L167 PolarHBondContact NH2-O 3.42Å; L149-L167 HydrophobicContact CB-CD1 4.47Å; L149-L167 HydrophobicContact CB-CD2 3.94Å; L149-L167 HydrophobicContact CB-CG 4.41Å; K150-L167 HydrophobicContact CG-CD2 3.58Å; M156-L167 HydrophobicContact CE-CD1 3.82Å; M156-L167 HydrophobicContact SD-CD1 3.75Å; L159-L167 HydrophobicContact CD1-CD1 3.93Å; S163-L167 VanDerWaalsContact O-CG 3.28Å; S163-L167 WeakPolarHBondContact O-CG 3.47Å; S163-L167 PolarHBondContact O-N 3.22Å; I164-L167 PolarHBondContact O-N 2.71Å; R165-L167 VanDerWaalsContact C-N 3.32Å; R165-L167 PolarHBondContact O-N 3.04Å
168Q87.8Confident88.7Confident151 Ų15159 Ų5971%0.70630%0.297SS*.Hα-helixtrans-84.4-12.8179.7-69175.2-10.200113.9I164 R165 Y166I164-Q168 WeakPolarHBondContact O-CG 3.38Å; I164-Q168 PolarHBondContact O-N 2.94Å; I164-Q168 VanDerWaalsContact O-N 3.13Å; R165-Q168 PolarHBondContact O-N 3.4Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.24Å
169L88.8Confident89.3Confident23 Ų2358.5 Ų58.512%0.1230%0.299CS..SBendtrans-68.8139.6-177.8-80.6169.7000112.5R146 R165 Y166 L173 F177R146-L169 VanDerWaalsContact CZ-O 3.31Å; R146-L169 PolarHBondContact NH1-O 3.31Å; R146-L169 VanDerWaalsContact NH1-O 3.1Å; R146-L169 PolarHBondContact NH2-O 2.87Å; R165-L169 WeakPolarHBondContact O-CG 3.42Å; R165-L169 PolarHBondContact O-N 3.09Å; R165-L169 VanDerWaalsContact O-N 3.07Å; Y166-L169 PolarHBondContact O-N 2.72Å; L169-L173 HydrophobicContact CD2-CB 4.27Å; L169-L173 HydrophobicContact CD2-CD1 4.47Å; L169-F177 HydrophobicContact CD1-CB 3.52Å; L169-F177 HydrophobicContact CD1-CD1 4.04Å; L169-F177 HydrophobicContact CD1-CD2 3.57Å; L169-F177 HydrophobicContact CD1-CE2 4.25Å; L169-F177 HydrophobicContact CD1-CG 3.43Å; L169-F177 VanDerWaalsContact CD1-CG 3.43Å
170P89.1Confident89.5Confident72 Ų7261.6 Ų61.647%0.46832%0.319SS..  trans-58.4148.1162.9-26.837.7000112.1N172 L173 L174P170-N172 VanDerWaalsContact C-N 3.25Å; P170-N172 WeakPolarHBondContact CB-OD1 3.38Å; P170-N172 PolarHBondContact O-N 3.35Å; P170-L173 PolarHBondContact O-N 3.32Å; P170-L173 VanDerWaalsContact O-N 3.1Å; P170-L174 PolarHBondContact O-N 3.16Å
171V85.2Confident89.6Confident93 Ų9365.3 Ų65.356%0.56433%0.333SS*.Hα-helixtrans-58-36.3-174.6-176.50000112.3L173 L174V171-L173 VanDerWaalsContact C-N 3.28Å; V171-L173 PolarHBondContact O-N 3.08Å; V171-L174 WeakPolarHBondContact O-CB 3.03Å; V171-L174 PolarHBondContact O-N 3.13Å; V171-L174 VanDerWaalsContact O-N 3.17Å
172N87.3Confident89.7Confident129 Ų12964.4 Ų64.469%0.6932%0.315SS*.Hα-helixtrans-65.6-24.6179.961.7-51000114.4P170P170-N172 VanDerWaalsContact C-N 3.25Å; P170-N172 WeakPolarHBondContact CB-OD1 3.38Å; P170-N172 PolarHBondContact O-N 3.35Å
173L89.7Confident89.6Confident75 Ų7567.2 Ų67.239%0.39334%0.336SS..Hα-helixtrans-98.2-6.6176.7-63.5179.4000112.8L169 P170 V171 Q176 F177L169-L173 HydrophobicContact CD2-CB 4.27Å; L169-L173 HydrophobicContact CD2-CD1 4.47Å; P170-L173 PolarHBondContact O-N 3.32Å; P170-L173 VanDerWaalsContact O-N 3.1Å; V171-L173 VanDerWaalsContact C-N 3.28Å; V171-L173 PolarHBondContact O-N 3.08Å; L173-Q176 PolarHBondContact O-N 2.88Å; L173-F177 PolarHBondContact O-N 3.17Å; L173-F177 VanDerWaalsContact O-N 3.11Å
174L89.7Confident89.6Confident2 Ų270.8 Ų70.81%0.0135%0.354CS..Hα-helixtrans-62.6-49.9-173.4-167.373.1000111.8P142 Y166 P170 V171 Q176 F177 F178P142-L174 HydrophobicContact CB-CD2 4.15Å; P142-L174 HydrophobicContact CB-CG 4.32Å; Y166-L174 HydrophobicContact CD1-CD1 4.33Å; Y166-L174 HydrophobicContact CD2-CD1 3.82Å; Y166-L174 HydrophobicContact CE1-CD1 3.91Å; Y166-L174 HydrophobicContact CE2-CD1 3.36Å; Y166-L174 HydrophobicContact CE2-CG 3.92Å; Y166-L174 HydrophobicContact CG-CD1 4.29Å; Y166-L174 VanDerWaalsContact CZ-CD1 3.4Å; P170-L174 PolarHBondContact O-N 3.16Å; V171-L174 WeakPolarHBondContact O-CB 3.03Å; V171-L174 PolarHBondContact O-N 3.13Å; V171-L174 VanDerWaalsContact O-N 3.17Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; L174-Q176 PolarHBondContact O-N 3.07Å; L174-F177 PolarHBondContact O-N 3.4Å; L174-F178 VanDerWaalsContact O-CB 3.3Å; L174-F178 WeakPolarHBondContact O-CB 3.44Å; L174-F178 PolarHBondContact O-N 3.44Å
175H90Very high89.5Confident87 Ų8772.4 Ų72.440%0.40337%0.367SS..Hα-helixtrans-61.4-41.8-179.2-67-80.7000112.6E143 F178 N179E143-H175 IonicContact OE1-CE1 2.93Å; E143-H175 PolarHBondContact OE1-CE1 3.46Å; E143-H175 IonicContact OE1-NE2 3.02Å; E143-H175 PolarHBondContact OE1-NE2 3.17Å; H175-F178 PolarHBondContact O-N 3.4Å; H175-N179 WeakPolarHBondContact O-CB 3.26Å; H175-N179 VanDerWaalsContact O-CG 3.31Å; H175-N179 PolarHBondContact O-N 3.04Å; H175-N179 PolarHBondContact O-ND2 3.19Å; H175-N179 VanDerWaalsContact O-ND2 3.17Å
176Q90.8Very high89.5Confident132 Ų13265.9 Ų65.962%0.61734%0.344SS*.Hα-helixtrans-63.4-47.1178.8-177.4-176.6-5.900110.7L173 L174 T180L173-Q176 PolarHBondContact O-N 2.88Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; L174-Q176 PolarHBondContact O-N 3.07Å; Q176-T180 WeakPolarHBondContact O-CB 3.34Å; Q176-T180 PolarHBondContact O-N 3.31Å; Q176-T180 VanDerWaalsContact O-N 3.15Å; Q176-T180 PolarHBondContact O-OG1 3.15Å
177F90.2Very high89.2Confident20 Ų2071.4 Ų71.49%0.08837%0.37CS..Hα-helixtrans-64.2-47177.9-170.4-81.7000111.4W132 R162 R165 Y166 L169 L173 L174 N179 T180 Y181W132-F177 HydrophobicContact CH2-CE1 4.47Å; R162-F177 HydrophobicContact CG-CE1 4.02Å; R162-F177 HydrophobicContact CG-CZ 4.17Å; R165-F177 HydrophobicContact CB-CZ 4.48Å; R165-F177 HydrophobicContact CG-CE2 4.06Å; R165-F177 HydrophobicContact CG-CZ 4.26Å; Y166-F177 AromaticContact CD2-CD1 3.56Å; Y166-F177 HydrophobicContact CD2-CD1 3.56Å; Y166-F177 HydrophobicContact CD2-CE1 4.01Å; Y166-F177 HydrophobicContact CD2-CG 4.47Å; Y166-F177 HydrophobicContact CE2-CD1 4.22Å; L169-F177 HydrophobicContact CD1-CB 3.52Å; L169-F177 HydrophobicContact CD1-CD1 4.04Å; L169-F177 HydrophobicContact CD1-CD2 3.57Å; L169-F177 HydrophobicContact CD1-CE2 4.25Å; L169-F177 HydrophobicContact CD1-CG 3.43Å; L169-F177 VanDerWaalsContact CD1-CG 3.43Å; L173-F177 PolarHBondContact O-N 3.17Å; L173-F177 VanDerWaalsContact O-N 3.11Å; L174-F177 PolarHBondContact O-N 3.4Å; F177-N179 PolarHBondContact O-N 2.9Å; F177-T180 PolarHBondContact O-N 3.13Å; F177-Y181 AromaticContact CD1-CD2 3.7Å; F177-Y181 HydrophobicContact CD1-CD2 3.7Å; F177-Y181 HydrophobicContact CD1-CE2 4.49Å; F177-Y181 HydrophobicContact CD1-CG 4.3Å; F177-Y181 AromaticContact CD2-CD2 3.53Å; F177-Y181 HydrophobicContact CD2-CD2 3.53Å; F177-Y181 AromaticContact CD2-CE2 3.5Å; F177-Y181 HydrophobicContact CD2-CE2 3.5Å; F177-Y181 AromaticContact CE1-CD2 3.63Å; F177-Y181 HydrophobicContact CE1-CD2 3.63Å; F177-Y181 HydrophobicContact CE1-CE2 4.36Å; F177-Y181 AromaticContact CE1-CG 3.93Å; F177-Y181 HydrophobicContact CE1-CG 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.44Å; F177-Y181 HydrophobicContact CE2-CD2 3.44Å; F177-Y181 VanDerWaalsContact CE2-CD2 3.44Å; F177-Y181 AromaticContact CE2-CE2 3.31Å; F177-Y181 HydrophobicContact CE2-CE2 3.31Å; F177-Y181 HydrophobicContact CE2-CG 4.29Å; F177-Y181 AromaticContact CG-CD2 3.68Å; F177-Y181 HydrophobicContact CG-CD2 3.68Å; F177-Y181 HydrophobicContact CG-CE2 4.12Å; F177-Y181 AromaticContact CZ-CD2 3.51Å; F177-Y181 HydrophobicContact CZ-CD2 3.51Å; F177-Y181 AromaticContact CZ-CE2 3.8Å; F177-Y181 HydrophobicContact CZ-CE2 3.8Å; F177-Y181 AromaticContact CZ-CG 3.93Å; F177-Y181 HydrophobicContact CZ-CG 3.93Å; F177-Y181 WeakPolarHBondContact O-CD2 3.45Å; F177-Y181 PolarHBondContact O-N 3.31Å
178F92.4Very high89.1Confident6 Ų672.9 Ų72.93%0.02638%0.375CS..Hα-helixtrans-53.6-53.1177.4177.5-94.9000111.5A135 L140 P142 L145 Y166 L174 H175 T180 Y181 R182A135-F178 HydrophobicContact CB-CE2 3.7Å; A135-F178 HydrophobicContact CB-CZ 4.02Å; L140-F178 WeakPolarHBondContact O-CZ 3.2Å; P142-F178 HydrophobicContact CB-CB 4.14Å; P142-F178 HydrophobicContact CB-CD1 4.41Å; P142-F178 HydrophobicContact CB-CD2 4.13Å; P142-F178 HydrophobicContact CB-CG 3.99Å; P142-F178 HydrophobicContact CG-CB 4.17Å; P142-F178 HydrophobicContact CG-CD1 3.66Å; P142-F178 HydrophobicContact CG-CD2 4.19Å; P142-F178 HydrophobicContact CG-CE1 4Å; P142-F178 HydrophobicContact CG-CE2 4.48Å; P142-F178 HydrophobicContact CG-CG 3.75Å; P142-F178 HydrophobicContact CG-CZ 4.41Å; L145-F178 HydrophobicContact CB-CE2 4.36Å; L145-F178 HydrophobicContact CD2-CD2 3.8Å; L145-F178 HydrophobicContact CD2-CE2 3.74Å; Y166-F178 HydrophobicContact CE2-CB 4.03Å; Y166-F178 HydrophobicContact CE2-CD2 4.42Å; L174-F178 VanDerWaalsContact O-CB 3.3Å; L174-F178 WeakPolarHBondContact O-CB 3.44Å; L174-F178 PolarHBondContact O-N 3.44Å; H175-F178 PolarHBondContact O-N 3.4Å; F178-T180 VanDerWaalsContact C-N 3.25Å; F178-T180 PolarHBondContact O-N 3.03Å; F178-Y181 PolarHBondContact O-N 3.45Å; F178-R182 WeakPolarHBondContact O-CB 3.47Å; F178-R182 VanDerWaalsContact O-CG 3.23Å; F178-R182 WeakPolarHBondContact O-CG 3.43Å; F178-R182 PolarHBondContact O-N 2.53Å
179N91.1Very high89.1Confident86 Ų8669.9 Ų69.946%0.4636%0.361SS..Hα-helixtrans-62.9-33.5-178.2-73.8-31.3000112.9H175 F177H175-N179 WeakPolarHBondContact O-CB 3.26Å; H175-N179 VanDerWaalsContact O-CG 3.31Å; H175-N179 PolarHBondContact O-N 3.04Å; H175-N179 PolarHBondContact O-ND2 3.19Å; H175-N179 VanDerWaalsContact O-ND2 3.17Å; F177-N179 PolarHBondContact O-N 2.9Å
180T91.4Very high89.2Confident73 Ų7369.1 Ų69.145%0.44836%0.357SS..Hα-helixtrans-74.7-44.5179.3-53.10000111.9Q176 F177 F178Q176-T180 WeakPolarHBondContact O-CB 3.34Å; Q176-T180 PolarHBondContact O-N 3.31Å; Q176-T180 VanDerWaalsContact O-N 3.15Å; Q176-T180 PolarHBondContact O-OG1 3.15Å; F177-T180 PolarHBondContact O-N 3.13Å; F178-T180 VanDerWaalsContact C-N 3.25Å; F178-T180 PolarHBondContact O-N 3.03Å
181Y90.7Very high89.4Confident80 Ų8068.4 Ų68.431%0.31435%0.352SS..Hα-helixtrans-100.4-14.3-168.4-71.4-81.1000114.8R162 F177 F178 V183 I184R162-Y181 PolarHBondContact NH1-O 3.38Å; F177-Y181 AromaticContact CD1-CD2 3.7Å; F177-Y181 HydrophobicContact CD1-CD2 3.7Å; F177-Y181 HydrophobicContact CD1-CE2 4.49Å; F177-Y181 HydrophobicContact CD1-CG 4.3Å; F177-Y181 AromaticContact CD2-CD2 3.53Å; F177-Y181 HydrophobicContact CD2-CD2 3.53Å; F177-Y181 AromaticContact CD2-CE2 3.5Å; F177-Y181 HydrophobicContact CD2-CE2 3.5Å; F177-Y181 AromaticContact CE1-CD2 3.63Å; F177-Y181 HydrophobicContact CE1-CD2 3.63Å; F177-Y181 HydrophobicContact CE1-CE2 4.36Å; F177-Y181 AromaticContact CE1-CG 3.93Å; F177-Y181 HydrophobicContact CE1-CG 3.93Å; F177-Y181 AromaticContact CE2-CD2 3.44Å; F177-Y181 HydrophobicContact CE2-CD2 3.44Å; F177-Y181 VanDerWaalsContact CE2-CD2 3.44Å; F177-Y181 AromaticContact CE2-CE2 3.31Å; F177-Y181 HydrophobicContact CE2-CE2 3.31Å; F177-Y181 HydrophobicContact CE2-CG 4.29Å; F177-Y181 AromaticContact CG-CD2 3.68Å; F177-Y181 HydrophobicContact CG-CD2 3.68Å; F177-Y181 HydrophobicContact CG-CE2 4.12Å; F177-Y181 AromaticContact CZ-CD2 3.51Å; F177-Y181 HydrophobicContact CZ-CD2 3.51Å; F177-Y181 AromaticContact CZ-CE2 3.8Å; F177-Y181 HydrophobicContact CZ-CE2 3.8Å; F177-Y181 AromaticContact CZ-CG 3.93Å; F177-Y181 HydrophobicContact CZ-CG 3.93Å; F177-Y181 WeakPolarHBondContact O-CD2 3.45Å; F177-Y181 PolarHBondContact O-N 3.31Å; F178-Y181 PolarHBondContact O-N 3.45Å; Y181-V183 PolarHBondContact O-N 2.94Å; Y181-I184 HydrophobicContact CD1-CD1 3.8Å; Y181-I184 HydrophobicContact CE1-CD1 4.19Å; Y181-I184 PolarHBondContact O-N 3.34Å
182R89.1Confident89.9Confident77 Ų7764.1 Ų64.129%0.29133%0.326SS..THydrogen-bonded Turntrans-63.2-29.6176.971.8-174.3-176.7151.6-3.3113.4W132 R136 F178W132-R182 HydrophobicContact CZ3-CB 4.43Å; R136-R182 VanDerWaalsContact CB-O 3.25Å; R136-R182 WeakPolarHBondContact CB-O 3.29Å; R136-R182 WeakPolarHBondContact CG-O 3.32Å; F178-R182 WeakPolarHBondContact O-CB 3.47Å; F178-R182 VanDerWaalsContact O-CG 3.23Å; F178-R182 WeakPolarHBondContact O-CG 3.43Å; F178-R182 PolarHBondContact O-N 2.53Å
183V88.5Confident90.4Very high94 Ų9458.9 Ų58.957%0.5730%0.298SS*.THydrogen-bonded Turntrans-83.6-14.5-179.3-63.30000113Y181Y181-V183 PolarHBondContact O-N 2.94Å
184I90.6Very high90.7Very high74 Ų7455.6 Ų55.638%0.37928%0.282SS..SBendtrans-87.9132.5-177.5-56178.2000108R162 Y181R162-I184 PolarHBondContact NH1-O 3.17Å; Y181-I184 HydrophobicContact CD1-CD1 3.8Å; Y181-I184 HydrophobicContact CE1-CD1 4.19Å; Y181-I184 PolarHBondContact O-N 3.34Å
185P87.5Confident91.1Very high81 Ų8156.7 Ų56.753%0.52629%0.287SS..PPolyproline II helixtrans-53.5141.5174-26.535.3000112.1R162 E187R162-P185 PolarHBondContact NH1-O 3Å; R162-P185 PolarHBondContact NH2-O 3.49Å; P185-E187 PolarHBondContact O-N 3.46Å
186L88.9Confident91.4Very high13 Ų1353.6 Ų53.67%0.06828%0.275CS..PPolyproline II helixtrans-79.3117.9178.2-171.974.7000109.3P124 E128 F129 W132 T160 R162P124-L186 HydrophobicContact CB-CD2 3.88Å; P124-L186 HydrophobicContact CB-CG 4.38Å; P124-L186 HydrophobicContact CG-CD2 4.39Å; E128-L186 HydrophobicContact CG-CD2 3.83Å; F129-L186 HydrophobicContact CB-CD2 4.3Å; F129-L186 HydrophobicContact CD2-CB 4.18Å; F129-L186 HydrophobicContact CD2-CD2 4.44Å; W132-L186 HydrophobicContact CG-CD1 4.12Å; W132-L186 HydrophobicContact CG-CD2 4.4Å; T160-L186 HydrophobicContact CG2-CD1 4.09Å; T160-L186 HydrophobicContact CG2-CD2 4.19Å; T160-L186 HydrophobicContact CG2-CG 4.02Å; T160-L186 WeakPolarHBondContact OG1-CD1 3.14Å; R162-L186 HydrophobicContact CB-CD1 4.26Å
187E84.5Confident91.6Very high115 Ų11550.2 Ų50.254%0.53726%0.258SS..  trans-120.1138.9176.7-67.4179.8-172.800109.7P185P185-E187 PolarHBondContact O-N 3.46Å
188K87.1Confident91.8Very high47 Ų4749.6 Ų49.620%0.20426%0.255CS..EExtended strand (participates in β ladder)trans-103.1119.2170.7-169.8173.1178170.80108.6L122 P124 K158 T160L122-K188 HydrophobicContact CB-CB 4.14Å; L122-K188 HydrophobicContact CB-CD 4.14Å; L122-K188 HydrophobicContact CB-CG 4.05Å; L122-K188 PolarHBondContact N-O 3.06Å; L122-K188 WeakPolarHBondContact O-CB 3.14Å; P124-K188 HydrophobicContact CB-CB 4.32Å; K158-K188 PolarHBondContact O-NZ 2.91Å; T160-K188 HydrophobicContact CG2-CB 3.88Å; T160-K188 HydrophobicContact CG2-CG 4.19Å
189Q87.9Confident91.8Very high89 Ų8949.7 Ų49.742%0.41626%0.257SS..EExtended strand (participates in β ladder)trans-114.8138.4176.6-69.1178.7-2200109.1P103P103-Q189 HydrophobicContact CB-CB 4.21Å
190T91.5Very high91.9Very high6 Ų647 Ų474%0.03724%0.241CC..  trans-87.3158.5170-165.30000110.5P103 L119 T215 S217P103-T190 VanDerWaalsContact CA-O 3.26Å; P103-T190 WeakPolarHBondContact CA-O 3.26Å; P103-T190 WeakPolarHBondContact CB-O 3.33Å; L119-T190 HydrophobicContact CB-CG2 4.06Å; L119-T190 HydrophobicContact CD2-CG2 3.71Å; T190-T215 HydrophobicContact CG2-CG2 4.08Å; T190-T215 WeakPolarHBondContact OG1-CB 3.02Å; T190-S217 WeakPolarHBondContact CB-OG 3.14Å; T190-S217 VanDerWaalsContact OG1-CB 3.24Å; T190-S217 WeakPolarHBondContact OG1-CB 3.5Å; T190-S217 PolarHBondContact OG1-N 2.86Å; T190-S217 VanDerWaalsContact OG1-N 3.16Å; T190-S217 PolarHBondContact OG1-OG 3.39Å
191V93Very high91.7Very high57 Ų5747 Ų4735%0.34524%0.236SC..  trans-116.7151.2176.6-59.40000110.7G102 T215 E216G102-V191 CarbonylContact O-C 3.59Å; G102-V191 WeakPolarHBondContact O-CA 3.47Å; V191-T215 CarbonylContact O-C 3.54Å; V191-T215 WeakPolarHBondContact O-CA 3.06Å; V191-E216 HydrophobicContact CG2-CB 3.56Å; V191-E216 HydrophobicContact CG2-CG 4.17Å; V191-E216 PolarHBondContact O-N 3.34Å
192V96.5Very high91.5Very high3 Ų347.3 Ų47.32%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-74.6129.7176.8-177.90000110S80 A100 G102 I105 L119 V213 G214S80-V192 WeakPolarHBondContact CB-O 3.23Å; S80-V192 PolarHBondContact OG-O 3.42Å; A100-V192 HydrophobicContact CB-CB 4Å; A100-V192 HydrophobicContact CB-CG1 3.51Å; A100-V192 HydrophobicContact CB-CG2 4.26Å; G102-V192 PolarHBondContact O-N 3.24Å; I105-V192 HydrophobicContact CG1-CG2 4.45Å; L119-V192 HydrophobicContact CD1-CG2 3.54Å; L119-V192 HydrophobicContact CD2-CG2 3.7Å; L119-V192 HydrophobicContact CG-CG2 4.3Å; V192-V213 HydrophobicContact CB-CG1 4.2Å; V192-V213 HydrophobicContact CG1-CG1 3.64Å; V192-V213 HydrophobicContact CG2-CG1 3.7Å; V192-G214 WeakPolarHBondContact CA-O 3.33Å
193T96.7Very high91Very high19 Ų1948.7 Ų48.712%0.11726%0.262CS..EExtended strand (participates in β ladder)trans-102.2-33.9174.957.30000112.3G214 E216 V239 P240T193-G214 PolarHBondContact N-O 3.47Å; T193-G214 VanDerWaalsContact OG1-C 3.29Å; T193-G214 PolarHBondContact OG1-O 2.85Å; T193-E216 HydrophobicContact CG2-CB 4.14Å; T193-E216 WeakPolarHBondContact CG2-OE2 3.21Å; T193-V239 HydrophobicContact CG2-CG1 3.82Å; T193-P240 VanDerWaalsContact CB-O 3.23Å; T193-P240 WeakPolarHBondContact CB-O 3.19Å; T193-P240 PolarHBondContact OG1-O 3.22Å
194C96.7Very high90.6Very high6 Ų645.2 Ų45.24%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-152.2152.2-178.8540000111.9G214 V241 L243C194-G214 PolarHBondContact O-N 2.91Å; C194-V241 WeakPolarHBondContact CB-O 3.2Å; C194-L243 HydrophobicContact CB-CD1 4.44Å; C194-L243 HydrophobicContact CB-CG 4.31Å; C194-L243 VanDerWaalsContact SG-CG 3.53Å
195L97.2Very high89.8Confident25 Ų2546.6 Ų46.613%0.13126%0.259CS..EExtended strand (participates in β ladder)trans-134.7135.3-174.6179.267.2000109.4I83 A98 A100 L211 V213I83-L195 HydrophobicContact CB-CD2 4.39Å; I83-L195 HydrophobicContact CG2-CD2 3.67Å; I83-L195 HydrophobicContact CG2-CG 3.96Å; A98-L195 HydrophobicContact CB-CD2 4.27Å; A100-L195 HydrophobicContact CB-CB 4.11Å; A100-L195 HydrophobicContact CB-CD2 3.91Å; A100-L195 HydrophobicContact CB-CG 4.44Å; L195-L211 HydrophobicContact CD1-CB 4.44Å; L195-V213 HydrophobicContact CD1-CG2 3.63Å
196T96.6Very high89.5Confident22 Ų2249.5 Ų49.514%0.13527%0.27CS..EExtended strand (participates in β ladder)trans-145-179167.6-1630000110T212 L243 A245T196-T212 HydrophobicContact CG2-CG2 4.24Å; T196-T212 PolarHBondContact N-O 3.36Å; T196-T212 PolarHBondContact O-N 2.57Å; T196-L243 HydrophobicContact CG2-CB 3.46Å; T196-L243 VanDerWaalsContact CG2-CB 3.46Å; T196-L243 HydrophobicContact CG2-CD1 3.97Å; T196-L243 HydrophobicContact CG2-CG 4.35Å; T196-A245 HydrophobicContact CG2-CB 3.82Å
197K95.4Very high89.4Confident61 Ų6149.4 Ų49.427%0.26527%0.27SS..EExtended strand (participates in β ladder)trans-135.5158.317772.8-177-171.8158.10111.2I83 P84 F85 D209 C210 L211I83-K197 HydrophobicContact CD1-CB 4Å; I83-K197 HydrophobicContact CD1-CD 3.83Å; I83-K197 HydrophobicContact CD1-CG 3.63Å; I83-K197 HydrophobicContact CG1-CD 4.06Å; I83-K197 HydrophobicContact CG1-CG 4.4Å; P84-K197 WeakPolarHBondContact O-CD 3.38Å; P84-K197 VanDerWaalsContact O-CE 3.3Å; P84-K197 WeakPolarHBondContact O-CE 3.14Å; P84-K197 PolarHBondContact O-NZ 2.91Å; F85-K197 HydrophobicContact CB-CD 3.8Å; K197-D209 HydrophobicContact CB-CB 4.4Å; K197-D209 HydrophobicContact CD-CB 4.42Å; K197-D209 WeakPolarHBondContact CD-OD2 3.25Å; K197-D209 IonicContact NZ-OD2 3.44Å; K197-D209 PolarHBondContact NZ-OD2 2.86Å; K197-C210 VanDerWaalsContact CA-O 3.28Å; K197-C210 WeakPolarHBondContact CA-O 2.85Å; K197-C210 WeakPolarHBondContact CB-O 3.41Å; K197-L211 HydrophobicContact CB-CD2 4.31Å
198M94.7Very high89.6Confident7 Ų745 Ų453%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-148157.1173.755.2179.4-69.800109.1D209 C210 I222 A245 F249 Y253 I255M198-D209 CarbonylContact O-C 3.6Å; M198-D209 VanDerWaalsContact O-CA 3.31Å; M198-D209 WeakPolarHBondContact O-CA 3.42Å; M198-C210 HydrophobicContact CG-CB 4.23Å; M198-C210 PolarHBondContact N-O 3.4Å; M198-C210 VanDerWaalsContact N-O 3.08Å; M198-C210 PolarHBondContact O-N 3.12Å; M198-I222 HydrophobicContact SD-CD1 4.28Å; M198-I222 HydrophobicContact SD-CG2 4.43Å; M198-A245 HydrophobicContact CB-CB 3.97Å; M198-A245 HydrophobicContact CG-CB 4.45Å; M198-A245 HydrophobicContact SD-CB 4.35Å; M198-F249 HydrophobicContact CE-CB 3.77Å; M198-F249 VanDerWaalsContact CE-N 3.27Å; M198-Y253 HydrophobicContact CE-CD1 3.95Å; M198-Y253 HydrophobicContact CE-CD2 4.38Å; M198-Y253 HydrophobicContact CE-CG 3.66Å; M198-I255 HydrophobicContact SD-CD1 4.31Å
199S93.4Very high89.9Confident9 Ų943.4 Ų43.46%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-66.1146.4176.1179.20000110.9H202 S248 F249S199-H202 VanDerWaalsContact OG-C 3.25Å; S199-H202 PolarHBondContact OG-N 3.44Å; S199-H202 PolarHBondContact OG-O 2.96Å; S199-S248 CarbonylContact O-C 3.47Å; S199-S248 WeakPolarHBondContact O-CA 3.35Å; S199-F249 PolarHBondContact O-N 2.75Å
200K91.7Very high90.2Very high28 Ų2839.1 Ų39.112%0.12222%0.223CC..SBendtrans-74.3-61.3170.5-169.7179-178.4-57.80111.5W208 C210 D224 F249 D250K200-W208 HydrophobicContact CD-CZ2 3.75Å; K200-W208 PolarHBondContact N-O 2.93Å; K200-C210 WeakPolarHBondContact CB-SG 3.48Å; K200-C210 VanDerWaalsContact CG-SG 3.58Å; K200-D224 WeakPolarHBondContact CE-OD2 3.46Å; K200-F249 CarbonylContact O-C 3.29Å; K200-F249 WeakPolarHBondContact O-CA 3.36Å; K200-F249 PolarHBondContact O-N 2.83Å; K200-D250 VanDerWaalsContact NZ-CG 3.31Å; K200-D250 IonicContact NZ-OD1 2.65Å; K200-D250 PolarHBondContact NZ-OD1 3.42Å; K200-D250 IonicContact NZ-OD2 2.79Å; K200-D250 PolarHBondContact NZ-OD2 3.16Å; K200-D250 WeakPolarHBondContact O-CB 3.35Å; K200-D250 PolarHBondContact O-N 2.94Å
201Q87.5Confident90.4Very high75 Ų7539.2 Ų39.235%0.3522%0.223SC..SBendtrans-96.1-64.1-168.5-72.3179.9-37.900112.7W208 S248 D250 I251Q201-W208 HydrophobicContact CG-CH2 4.18Å; Q201-W208 HydrophobicContact CG-CZ2 4.42Å; Q201-S248 VanDerWaalsContact O-CB 3.27Å; Q201-S248 WeakPolarHBondContact O-CB 3.28Å; Q201-D250 WeakPolarHBondContact CG-OD2 3.39Å; Q201-I251 WeakPolarHBondContact O-CD1 3.32Å; Q201-I251 VanDerWaalsContact O-CG1 3.24Å; Q201-I251 WeakPolarHBondContact O-CG1 3.12Å
202H86.7Confident90.6Very high85 Ų8536.5 Ų36.539%0.39421%0.206SC..  trans-146.8160.2-176.863.25.1000109.1S199 G204 S207 I251S199-H202 VanDerWaalsContact OG-C 3.25Å; S199-H202 PolarHBondContact OG-N 3.44Å; S199-H202 PolarHBondContact OG-O 2.96Å; H202-G204 PolarHBondContact O-N 3.12Å; H202-S207 VanDerWaalsContact ND1-CB 3.31Å; H202-S207 WeakPolarHBondContact ND1-CB 3.49Å; H202-S207 WeakPolarHBondContact O-CB 3.37Å; H202-S207 PolarHBondContact O-OG 3.49Å; H202-I251 HydrophobicContact CB-CD1 4.3Å
203S78.9Confident90.6Very high107 Ų10736.3 Ų36.375%0.74821%0.205SC*.SBendtrans-80.2113.2170.1-62.90000109.7
204G79.8Confident90.7Very high21 Ų2135.4 Ų35.422%0.21620%0.2CC..SBendtrans-170.8179-179.500000115K86 H202 S207K86-G204 PolarHBondContact NZ-O 2.88Å; H202-G204 PolarHBondContact O-N 3.12Å; G204-S207 PolarHBondContact N-OG 2.83Å; G204-S207 PolarHBondContact O-OG 2.84Å
205P74.6Confident90.7Very high103 Ų10335.1 Ų35.167%0.66920%0.198SC*.THydrogen-bonded Turntrans-66.8-42.3175.425.3-31.6000111.6S207P205-S207 VanDerWaalsContact C-N 3.26Å; P205-S207 PolarHBondContact O-N 3.47Å
206N80.6Confident90.5Very high141 Ų14137.5 Ų37.575%0.75421%0.208SC*.THydrogen-bonded Turntrans-8610.6-178.5-66.9-2.3000113.7
207S85.9Confident90.3Very high11 Ų1137.9 Ų37.98%0.07721%0.212CC..  trans-88.5154.8177.375.90000111.7K86 H202 G204 P205K86-S207 WeakPolarHBondContact CD-O 3.4Å; H202-S207 VanDerWaalsContact ND1-CB 3.31Å; H202-S207 WeakPolarHBondContact ND1-CB 3.49Å; H202-S207 WeakPolarHBondContact O-CB 3.37Å; H202-S207 PolarHBondContact O-OG 3.49Å; G204-S207 PolarHBondContact N-OG 2.83Å; G204-S207 PolarHBondContact O-OG 2.84Å; P205-S207 VanDerWaalsContact C-N 3.26Å; P205-S207 PolarHBondContact O-N 3.47Å
208W88.4Confident90.3Very high22 Ų2236.5 Ų36.58%0.08321%0.209CC..  trans-117.916116767.594.4000110.8K86 K88 K200 Q201 D224 V226K86-W208 WeakPolarHBondContact O-CA 3.4Å; K86-W208 WeakPolarHBondContact O-CB 3.22Å; K88-W208 HydrophobicContact CB-CB 4.24Å; K88-W208 HydrophobicContact CB-CD2 4.01Å; K88-W208 HydrophobicContact CB-CE3 4.08Å; K88-W208 HydrophobicContact CB-CG 4.12Å; K88-W208 HydrophobicContact CD-CD2 4.3Å; K88-W208 HydrophobicContact CD-CE3 3.86Å; K88-W208 HydrophobicContact CD-CH2 3.99Å; K88-W208 HydrophobicContact CD-CZ2 4.39Å; K88-W208 HydrophobicContact CD-CZ3 3.71Å; K88-W208 HydrophobicContact CG-CE3 4.19Å; K88-W208 HydrophobicContact CG-CZ3 4.48Å; K200-W208 HydrophobicContact CD-CZ2 3.75Å; K200-W208 PolarHBondContact N-O 2.93Å; Q201-W208 HydrophobicContact CG-CH2 4.18Å; Q201-W208 HydrophobicContact CG-CZ2 4.42Å; W208-D224 PolarHBondContact NE1-OD1 3.42Å; W208-V226 VanDerWaalsContact CD1-CG2 3.48Å; W208-V226 HydrophobicContact CD2-CG2 4.23Å; W208-V226 HydrophobicContact CG-CG2 3.93Å
209D93.5Very high90.3Very high14 Ų1438.6 Ų38.68%0.07522%0.218CC..EExtended strand (participates in β ladder)trans-96.5145.7-174.4-62.5-30.5000110.2F85 K86 K197 M198 C225F85-D209 WeakPolarHBondContact CA-OD2 3.07Å; F85-D209 HydrophobicContact CB-CB 4.07Å; F85-D209 HydrophobicContact CD2-CB 4.43Å; K86-D209 PolarHBondContact N-OD2 3Å; K86-D209 PolarHBondContact O-N 2.99Å; K197-D209 HydrophobicContact CB-CB 4.4Å; K197-D209 HydrophobicContact CD-CB 4.42Å; K197-D209 WeakPolarHBondContact CD-OD2 3.25Å; K197-D209 IonicContact NZ-OD2 3.44Å; K197-D209 PolarHBondContact NZ-OD2 2.86Å; M198-D209 CarbonylContact O-C 3.6Å; M198-D209 VanDerWaalsContact O-CA 3.31Å; M198-D209 WeakPolarHBondContact O-CA 3.42Å; D209-C225 PolarHBondContact O-SG 3.05Å
210C94.6Very high90.4Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-90.8151.2158.2-65.70000109.5K197 M198 K200 I222 Y223K197-C210 VanDerWaalsContact CA-O 3.28Å; K197-C210 WeakPolarHBondContact CA-O 2.85Å; K197-C210 WeakPolarHBondContact CB-O 3.41Å; M198-C210 HydrophobicContact CG-CB 4.23Å; M198-C210 PolarHBondContact N-O 3.4Å; M198-C210 VanDerWaalsContact N-O 3.08Å; M198-C210 PolarHBondContact O-N 3.12Å; K200-C210 WeakPolarHBondContact CB-SG 3.48Å; K200-C210 VanDerWaalsContact CG-SG 3.58Å; C210-I222 HydrophobicContact CB-CG2 3.87Å; C210-Y223 CarbonylContact C-O 3.54Å; C210-Y223 VanDerWaalsContact CA-O 3.23Å; C210-Y223 WeakPolarHBondContact CA-O 3.22Å; C210-Y223 VanDerWaalsContact CB-O 3.27Å; C210-Y223 WeakPolarHBondContact CB-O 3.24Å
211L96.3Very high90.6Very high7 Ų737 Ų374%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-95.8128.4171-64.2179000109.5I83 F85 A98 I105 L195 K197 I222 Y223I83-L211 HydrophobicContact CG2-CD2 4.12Å; F85-L211 HydrophobicContact CB-CD2 4.25Å; F85-L211 HydrophobicContact CD1-CD2 4.21Å; F85-L211 HydrophobicContact CD2-CD2 4.34Å; F85-L211 HydrophobicContact CG-CD2 4Å; A98-L211 HydrophobicContact CB-CD1 3.79Å; A98-L211 HydrophobicContact CB-CD2 4.13Å; I105-L211 HydrophobicContact CG2-CD1 4.07Å; L195-L211 HydrophobicContact CD1-CB 4.44Å; K197-L211 HydrophobicContact CB-CD2 4.31Å; L211-I222 CarbonylContact O-C 3.52Å; L211-I222 WeakPolarHBondContact O-CA 3.26Å; L211-Y223 PolarHBondContact N-O 3.45Å; L211-Y223 PolarHBondContact O-N 3.17Å
212T96.8Very high91Very high0 Ų033.5 Ų33.50%019%0.194CC..EExtended strand (participates in β ladder)trans-110.9127.2176.3-54.60000109T196 I220 Y221 I222 L243 I255T196-T212 HydrophobicContact CG2-CG2 4.24Å; T196-T212 PolarHBondContact N-O 3.36Å; T196-T212 PolarHBondContact O-N 2.57Å; T212-I220 HydrophobicContact CG2-CG2 3.82Å; T212-Y221 CarbonylContact C-O 3.6Å; T212-Y221 WeakPolarHBondContact CA-O 3.47Å; T212-I222 HydrophobicContact CG2-CG1 4.19Å; T212-L243 HydrophobicContact CG2-CD1 4.22Å; T212-I255 HydrophobicContact CG2-CD1 4.03Å
213V97.3Very high91.3Very high0 Ų029.9 Ų29.90%018%0.177CC..EExtended strand (participates in β ladder)trans-130.6129.9-165.5174.50000109.3I105 L119 V192 L195 T215 I220 Y221 Y223I105-V213 HydrophobicContact CD1-CG2 3.47Å; I105-V213 VanDerWaalsContact CD1-CG2 3.47Å; I105-V213 HydrophobicContact CG1-CG2 4.47Å; L119-V213 HydrophobicContact CD2-CG1 4.28Å; V192-V213 HydrophobicContact CB-CG1 4.2Å; V192-V213 HydrophobicContact CG1-CG1 3.64Å; V192-V213 HydrophobicContact CG2-CG1 3.7Å; L195-V213 HydrophobicContact CD1-CG2 3.63Å; V213-T215 HydrophobicContact CG1-CG2 4.21Å; V213-I220 CarbonylContact O-C 3.49Å; V213-I220 VanDerWaalsContact O-CA 3.31Å; V213-I220 WeakPolarHBondContact O-CA 3.14Å; V213-Y221 PolarHBondContact N-O 3.12Å; V213-Y221 PolarHBondContact O-N 2.93Å; V213-Y223 HydrophobicContact CB-CD2 4.42Å; V213-Y223 HydrophobicContact CB-CE2 4.02Å; V213-Y223 HydrophobicContact CG2-CD2 3.92Å; V213-Y223 HydrophobicContact CG2-CE2 3.92Å
214G97.6Very high91.9Very high0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-100.2148.1169.100000111.5V192 T193 C194V192-G214 WeakPolarHBondContact CA-O 3.33Å; T193-G214 PolarHBondContact N-O 3.47Å; T193-G214 VanDerWaalsContact OG1-C 3.29Å; T193-G214 PolarHBondContact OG1-O 2.85Å; C194-G214 PolarHBondContact O-N 2.91Å
215T96.5Very high92.2Very high0 Ų024.3 Ų24.30%013%0.134CC..EExtended strand (participates in β ladder)trans-131.3153.8-169.965.10000113.4L119 T190 V191 V213 S217 C218 F219 Y221 P240L119-T215 HydrophobicContact CD2-CG2 3.39Å; T190-T215 HydrophobicContact CG2-CG2 4.08Å; T190-T215 WeakPolarHBondContact OG1-CB 3.02Å; V191-T215 CarbonylContact O-C 3.54Å; V191-T215 WeakPolarHBondContact O-CA 3.06Å; V213-T215 HydrophobicContact CG1-CG2 4.21Å; T215-S217 PolarHBondContact O-N 3.37Å; T215-S217 PolarHBondContact OG1-OG 3.09Å; T215-C218 PolarHBondContact O-N 2.89Å; T215-F219 PolarHBondContact N-O 3.38Å; T215-F219 WeakPolarHBondContact OG1-CA 3.49Å; T215-F219 WeakPolarHBondContact OG1-CB 3.14Å; T215-F219 PolarHBondContact OG1-N 3.11Å; T215-F219 PolarHBondContact OG1-O 3.37Å; T215-Y221 HydrophobicContact CG2-CD2 3.64Å; T215-Y221 HydrophobicContact CG2-CE2 3.72Å; T215-P240 WeakPolarHBondContact O-CD 3.4Å
216E93.7Very high92.7Very high74 Ų7421.7 Ų21.735%0.34612%0.116SC..THydrogen-bonded Turntrans-62.1-25.7179.2-16967-171.200112.7V191 T193 C218 V239 R260V191-E216 HydrophobicContact CG2-CB 3.56Å; V191-E216 HydrophobicContact CG2-CG 4.17Å; V191-E216 PolarHBondContact O-N 3.34Å; T193-E216 HydrophobicContact CG2-CB 4.14Å; T193-E216 WeakPolarHBondContact CG2-OE2 3.21Å; E216-C218 PolarHBondContact O-N 3.34Å; E216-V239 WeakPolarHBondContact O-CG2 3.08Å; E216-R260 IonicContact OE1-CZ 4Å; E216-R260 IonicContact OE1-NH1 3.04Å; E216-R260 PolarHBondContact OE1-NH1 2.87Å; E216-R260 IonicContact OE1-NH2 3.1Å; E216-R260 PolarHBondContact OE1-NH2 2.91Å; E216-R260 IonicContact OE2-CZ 3.99Å; E216-R260 VanDerWaalsContact OE2-CZ 3.28Å; E216-R260 IonicContact OE2-NH1 3.19Å; E216-R260 PolarHBondContact OE2-NH1 2.69Å; E216-R260 IonicContact OE2-NH2 2.69Å; E216-R260 PolarHBondContact OE2-NH2 3.43Å
217S92.4Very high92.9Very high31 Ų3118.3 Ų18.322%0.21710%0.101CC..THydrogen-bonded Turntrans-79.313.9175.155.90000114.2L122 T190 T215 F219L122-S217 VanDerWaalsContact CD1-CB 3.44Å; T190-S217 WeakPolarHBondContact CB-OG 3.14Å; T190-S217 VanDerWaalsContact OG1-CB 3.24Å; T190-S217 WeakPolarHBondContact OG1-CB 3.5Å; T190-S217 PolarHBondContact OG1-N 2.86Å; T190-S217 VanDerWaalsContact OG1-N 3.16Å; T190-S217 PolarHBondContact OG1-OG 3.39Å; T215-S217 PolarHBondContact O-N 3.37Å; T215-S217 PolarHBondContact OG1-OG 3.09Å; S217-F219 WeakPolarHBondContact O-CD2 3.47Å; S217-F219 WeakPolarHBondContact O-CE2 3.48Å
218C94.9Very high92.8Very high31 Ų3121.9 Ų21.921%0.20912%0.116CC..SBendtrans62.840.9-179.4-51.70000113.5T215 E216 L236 V239T215-C218 PolarHBondContact O-N 2.89Å; E216-C218 PolarHBondContact O-N 3.34Å; C218-L236 HydrophobicContact CB-CB 4.26Å; C218-L236 VanDerWaalsContact CB-O 3.28Å; C218-L236 WeakPolarHBondContact CB-O 3.33Å; C218-L236 WeakPolarHBondContact O-CA 3.25Å; C218-L236 WeakPolarHBondContact O-CB 3.33Å; C218-L236 PolarHBondContact O-N 2.99Å; C218-V239 PolarHBondContact SG-N 3.33Å; C218-V239 VanDerWaalsContact SG-N 3.4Å
219F95.3Very high92.8Very high52 Ų5225.4 Ų25.423%0.22814%0.137CC..EExtended strand (participates in β ladder)trans-120.3149.2171.4-73.1-90.1000112T215 S217 Y221 E233 V234 A235T215-F219 PolarHBondContact N-O 3.38Å; T215-F219 WeakPolarHBondContact OG1-CA 3.49Å; T215-F219 WeakPolarHBondContact OG1-CB 3.14Å; T215-F219 PolarHBondContact OG1-N 3.11Å; T215-F219 PolarHBondContact OG1-O 3.37Å; S217-F219 WeakPolarHBondContact O-CD2 3.47Å; S217-F219 WeakPolarHBondContact O-CE2 3.48Å; F219-Y221 HydrophobicContact CB-CD2 4.28Å; F219-Y221 HydrophobicContact CB-CE2 3.56Å; F219-Y221 HydrophobicContact CG-CE2 4.43Å; F219-E233 HydrophobicContact CD1-CG 3.75Å; F219-E233 WeakPolarHBondContact CD1-OE1 3.38Å; F219-E233 HydrophobicContact CE1-CG 4.17Å; F219-E233 WeakPolarHBondContact CE1-OE1 3.39Å; F219-V234 WeakPolarHBondContact CA-O 3.21Å; F219-A235 HydrophobicContact CD1-CB 4.13Å; F219-A235 HydrophobicContact CE1-CB 3.72Å; F219-A235 HydrophobicContact CZ-CB 4.34Å
220I96.3Very high92.7Very high2 Ų227.4 Ų27.41%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-106.5132163.3-60.7-67.8000108.6T212 V213 E233 V234 L236 P240 L243 V257 I267T212-I220 HydrophobicContact CG2-CG2 3.82Å; V213-I220 CarbonylContact O-C 3.49Å; V213-I220 VanDerWaalsContact O-CA 3.31Å; V213-I220 WeakPolarHBondContact O-CA 3.14Å; I220-E233 WeakPolarHBondContact O-CA 3.33Å; I220-V234 HydrophobicContact CB-CB 4.44Å; I220-V234 PolarHBondContact N-O 3.24Å; I220-V234 PolarHBondContact O-N 3.15Å; I220-L236 HydrophobicContact CD1-CD1 3.84Å; I220-L236 HydrophobicContact CG1-CD1 3.56Å; I220-L236 HydrophobicContact CG1-CD2 4.41Å; I220-L236 HydrophobicContact CG1-CG 4.03Å; I220-P240 HydrophobicContact CD1-CB 4.07Å; I220-P240 HydrophobicContact CD1-CG 4.16Å; I220-L243 HydrophobicContact CD1-CD1 4.46Å; I220-L243 HydrophobicContact CD1-CD2 3.51Å; I220-V257 HydrophobicContact CD1-CG1 4.15Å; I220-V257 HydrophobicContact CD1-CG2 4.08Å; I220-V257 HydrophobicContact CG1-CG2 4.23Å; I220-I267 HydrophobicContact CB-CD1 4.26Å; I220-I267 HydrophobicContact CG1-CD1 3.9Å; I220-I267 HydrophobicContact CG2-CD1 4.48Å
221Y95.4Very high92.5Very high1 Ų130 Ų300%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-119141173.7-63.7-74.9000110.8P120 T212 V213 T215 F219 Y223 N230 C232 E233P120-Y221 HydrophobicContact CG-CE1 4.02Å; T212-Y221 CarbonylContact C-O 3.6Å; T212-Y221 WeakPolarHBondContact CA-O 3.47Å; V213-Y221 PolarHBondContact N-O 3.12Å; V213-Y221 PolarHBondContact O-N 2.93Å; T215-Y221 HydrophobicContact CG2-CD2 3.64Å; T215-Y221 HydrophobicContact CG2-CE2 3.72Å; F219-Y221 HydrophobicContact CB-CD2 4.28Å; F219-Y221 HydrophobicContact CB-CE2 3.56Å; F219-Y221 HydrophobicContact CG-CE2 4.43Å; Y221-Y223 VanDerWaalsContact CB-OH 3.24Å; Y221-Y223 WeakPolarHBondContact CB-OH 3.21Å; Y221-Y223 WeakPolarHBondContact CD2-OH 3.44Å; Y221-Y223 HydrophobicContact CG-CE2 4.21Å; Y221-Y223 AromaticContact CG-CZ 3.76Å; Y221-N230 WeakPolarHBondContact CD1-ND2 3.27Å; Y221-C232 CarbonylContact C-O 3.58Å; Y221-C232 WeakPolarHBondContact CA-O 3.35Å; Y221-E233 HydrophobicContact CD1-CB 3.98Å; Y221-E233 HydrophobicContact CD1-CG 4.05Å; Y221-E233 HydrophobicContact CE1-CB 3.85Å; Y221-E233 HydrophobicContact CE1-CG 3.47Å; Y221-E233 VanDerWaalsContact CE1-CG 3.47Å; Y221-E233 WeakPolarHBondContact CE1-OE1 3.43Å; Y221-E233 PolarHBondContact OH-OE1 3.04Å
222I95.5Very high92.3Very high2 Ų231 Ų311%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-116.3117.7172.2-53.5177.7000108.2M198 C210 L211 T212 N230 L231 C232 F249 Y253 I255M198-I222 HydrophobicContact SD-CD1 4.28Å; M198-I222 HydrophobicContact SD-CG2 4.43Å; C210-I222 HydrophobicContact CB-CG2 3.87Å; L211-I222 CarbonylContact O-C 3.52Å; L211-I222 WeakPolarHBondContact O-CA 3.26Å; T212-I222 HydrophobicContact CG2-CG1 4.19Å; I222-N230 PolarHBondContact O-OD1 3.43Å; I222-L231 HydrophobicContact CG2-CD1 4.39Å; I222-L231 WeakPolarHBondContact O-CA 3.32Å; I222-L231 WeakPolarHBondContact O-CB 3.46Å; I222-L231 PolarHBondContact O-N 3.49Å; I222-C232 HydrophobicContact CB-CB 4.14Å; I222-C232 HydrophobicContact CD1-CB 4.06Å; I222-C232 HydrophobicContact CG1-CB 4.23Å; I222-C232 PolarHBondContact N-O 2.89Å; I222-C232 PolarHBondContact O-N 3.41Å; I222-F249 HydrophobicContact CB-CD2 4.49Å; I222-F249 HydrophobicContact CB-CE2 4.47Å; I222-F249 HydrophobicContact CD1-CD2 3.95Å; I222-F249 HydrophobicContact CD1-CE2 4.05Å; I222-F249 HydrophobicContact CG2-CD2 3.85Å; I222-F249 HydrophobicContact CG2-CE2 4.26Å; I222-F249 HydrophobicContact CG2-CG 4.5Å; I222-Y253 HydrophobicContact CD1-CE2 4.18Å; I222-I255 HydrophobicContact CD1-CD1 3.77Å; I222-I255 HydrophobicContact CG1-CD1 4.43Å
223Y93.4Very high92.1Very high9 Ų935.5 Ų35.54%0.03519%0.189CC..EExtended strand (participates in β ladder)trans-109.8136.2-175.8-60.7-68.4000111.8I105 Y117 P120 C210 L211 V213 Y221 N230I105-Y223 HydrophobicContact CD1-CD2 4.1Å; I105-Y223 HydrophobicContact CD1-CE2 4.14Å; Y117-Y223 HydrophobicContact CD1-CE1 4.42Å; Y117-Y223 HydrophobicContact CD1-CE2 4.48Å; Y117-Y223 AromaticContact CE1-CD1 3.86Å; Y117-Y223 HydrophobicContact CE1-CD1 3.86Å; Y117-Y223 HydrophobicContact CE1-CD2 4.46Å; Y117-Y223 AromaticContact CE1-CE1 3.35Å; Y117-Y223 HydrophobicContact CE1-CE1 3.35Å; Y117-Y223 AromaticContact CE1-CE2 3.97Å; Y117-Y223 HydrophobicContact CE1-CE2 3.97Å; Y117-Y223 HydrophobicContact CE1-CG 4.39Å; Y117-Y223 AromaticContact CE1-CZ 3.38Å; Y117-Y223 HydrophobicContact CE2-CD1 4.25Å; Y117-Y223 HydrophobicContact CE2-CE1 4.31Å; Y117-Y223 AromaticContact CZ-CD1 3.65Å; Y117-Y223 AromaticContact CZ-CE1 3.3Å; Y117-Y223 AromaticContact CZ-CZ 3.86Å; Y117-Y223 WeakPolarHBondContact OH-CE1 3.26Å; P120-Y223 WeakPolarHBondContact CD-OH 3.4Å; C210-Y223 CarbonylContact C-O 3.54Å; C210-Y223 VanDerWaalsContact CA-O 3.23Å; C210-Y223 WeakPolarHBondContact CA-O 3.22Å; C210-Y223 VanDerWaalsContact CB-O 3.27Å; C210-Y223 WeakPolarHBondContact CB-O 3.24Å; L211-Y223 PolarHBondContact N-O 3.45Å; L211-Y223 PolarHBondContact O-N 3.17Å; V213-Y223 HydrophobicContact CB-CD2 4.42Å; V213-Y223 HydrophobicContact CB-CE2 4.02Å; V213-Y223 HydrophobicContact CG2-CD2 3.92Å; V213-Y223 HydrophobicContact CG2-CE2 3.92Å; Y221-Y223 VanDerWaalsContact CB-OH 3.24Å; Y221-Y223 WeakPolarHBondContact CB-OH 3.21Å; Y221-Y223 WeakPolarHBondContact CD2-OH 3.44Å; Y221-Y223 HydrophobicContact CG-CE2 4.21Å; Y221-Y223 AromaticContact CG-CZ 3.76Å; Y223-N230 HydrophobicContact CD1-CB 4Å; Y223-N230 HydrophobicContact CE1-CB 3.75Å
224D91.2Very high92Very high6 Ų635.8 Ų35.83%0.03219%0.191CC..EExtended strand (participates in β ladder)trans-82.6118.6167.2-171.6-2000109.7K200 W208 V226 T227 H228 N229 L231K200-D224 WeakPolarHBondContact CE-OD2 3.46Å; W208-D224 PolarHBondContact NE1-OD1 3.42Å; D224-V226 PolarHBondContact O-N 2.96Å; D224-V226 PolarHBondContact OD1-N 3.32Å; D224-T227 VanDerWaalsContact CB-OG1 3.26Å; D224-T227 WeakPolarHBondContact CB-OG1 3.38Å; D224-T227 VanDerWaalsContact CG-OG1 3.24Å; D224-T227 WeakPolarHBondContact OD2-CG2 3.48Å; D224-T227 PolarHBondContact OD2-OG1 2.84Å; D224-H228 VanDerWaalsContact O-CA 3.26Å; D224-H228 WeakPolarHBondContact O-CA 3.16Å; D224-H228 PolarHBondContact O-N 3.01Å; D224-N229 PolarHBondContact N-O 3.06Å; D224-L231 HydrophobicContact CB-CD1 3.83Å; D224-L231 HydrophobicContact CB-CD2 4.02Å; D224-L231 HydrophobicContact CB-CG 3.92Å
225C85.1Confident91.9Very high4 Ų437.9 Ų37.93%0.02721%0.208CC..THydrogen-bonded Turntrans-70.6-14.2179.869.80000113.7F85 Y115 D209 H228F85-C225 HydrophobicContact CD2-CB 4.24Å; F85-C225 HydrophobicContact CE2-CB 3.49Å; F85-C225 VanDerWaalsContact CE2-CB 3.49Å; F85-C225 HydrophobicContact CZ-CB 4.3Å; Y115-C225 PolarHBondContact OH-O 3.1Å; D209-C225 PolarHBondContact O-SG 3.05Å; C225-H228 PolarHBondContact O-CE1 3.28Å; C225-H228 PolarHBondContact O-ND1 2.95Å
226V85.7Confident91.9Very high49 Ų4938.6 Ų38.630%0.29721%0.212SC..THydrogen-bonded Turntrans-93.7-50-177.3-1770000111.4K88 W208 D224 H228K88-V226 HydrophobicContact CB-CB 4.5Å; K88-V226 HydrophobicContact CB-CG1 4.24Å; K88-V226 HydrophobicContact CB-CG2 3.42Å; K88-V226 VanDerWaalsContact CB-CG2 3.42Å; K88-V226 HydrophobicContact CD-CG1 4.42Å; W208-V226 VanDerWaalsContact CD1-CG2 3.48Å; W208-V226 HydrophobicContact CD2-CG2 4.23Å; W208-V226 HydrophobicContact CG-CG2 3.93Å; D224-V226 PolarHBondContact O-N 2.96Å; D224-V226 PolarHBondContact OD1-N 3.32Å; V226-H228 VanDerWaalsContact C-N 3.35Å
227T85.3Confident91.9Very high70 Ų7039.3 Ų39.343%0.42922%0.223SC..THydrogen-bonded Turntrans-87.1-9.6-179.860.90000112.8D224 N229D224-T227 VanDerWaalsContact CB-OG1 3.26Å; D224-T227 WeakPolarHBondContact CB-OG1 3.38Å; D224-T227 VanDerWaalsContact CG-OG1 3.24Å; D224-T227 WeakPolarHBondContact OD2-CG2 3.48Å; D224-T227 PolarHBondContact OD2-OG1 2.84Å; T227-N229 PolarHBondContact O-N 2.96Å; T227-N229 VanDerWaalsContact O-N 3.14Å
228H83.7Confident92.1Very high86 Ų8638.8 Ų38.840%0.39822%0.219SC..  trans57.520.5-175.5-53.3-60.7000113.9Y115 D224 C225 V226Y115-H228 AromaticContact CD1-CE1 3.88Å; Y115-H228 AromaticContact CE1-CE1 3.52Å; Y115-H228 AromaticContact CE2-CE1 3.74Å; Y115-H228 AromaticContact CE2-ND1 3.69Å; Y115-H228 AromaticContact CZ-CE1 3.42Å; Y115-H228 VanDerWaalsContact CZ-CE1 3.42Å; Y115-H228 AromaticContact CZ-ND1 3.75Å; D224-H228 VanDerWaalsContact O-CA 3.26Å; D224-H228 WeakPolarHBondContact O-CA 3.16Å; D224-H228 PolarHBondContact O-N 3.01Å; C225-H228 PolarHBondContact O-CE1 3.28Å; C225-H228 PolarHBondContact O-ND1 2.95Å; V226-H228 VanDerWaalsContact C-N 3.35Å
229N88.8Confident92.1Very high96 Ų9638.1 Ų38.151%0.51321%0.214SC..  trans-93.2147.1179.8-69.6-32.3000111.4D224 T227 L231D224-N229 PolarHBondContact N-O 3.06Å; T227-N229 PolarHBondContact O-N 2.96Å; T227-N229 VanDerWaalsContact O-N 3.14Å; N229-L231 PolarHBondContact O-N 3.4Å
230N90Very high92.3Very high56 Ų5635.7 Ų35.730%0.29920%0.204SC..EExtended strand (participates in β ladder)trans-74.4114.5163.4-17512.6000108.9Y221 I222 Y223 C232Y221-N230 WeakPolarHBondContact CD1-ND2 3.27Å; I222-N230 PolarHBondContact O-OD1 3.43Å; Y223-N230 HydrophobicContact CD1-CB 4Å; Y223-N230 HydrophobicContact CE1-CB 3.75Å; N230-C232 PolarHBondContact OD1-N 3.35Å; N230-C232 PolarHBondContact OD1-O 2.79Å
231L92.2Very high92.3Very high53 Ų5337.2 Ų37.228%0.27721%0.213SC..EExtended strand (participates in β ladder)trans-85.7-30.8-178.1-61.4174.8000112.4I222 D224 N229 F249I222-L231 HydrophobicContact CG2-CD1 4.39Å; I222-L231 WeakPolarHBondContact O-CA 3.32Å; I222-L231 WeakPolarHBondContact O-CB 3.46Å; I222-L231 PolarHBondContact O-N 3.49Å; D224-L231 HydrophobicContact CB-CD1 3.83Å; D224-L231 HydrophobicContact CB-CD2 4.02Å; D224-L231 HydrophobicContact CB-CG 3.92Å; N229-L231 PolarHBondContact O-N 3.4Å; L231-F249 HydrophobicContact CB-CD1 4.49Å; L231-F249 HydrophobicContact CB-CE1 3.8Å; L231-F249 HydrophobicContact CB-CE2 4Å; L231-F249 HydrophobicContact CB-CZ 3.51Å; L231-F249 HydrophobicContact CD1-CD1 3.7Å; L231-F249 HydrophobicContact CD1-CD2 4.49Å; L231-F249 HydrophobicContact CD1-CE1 3.78Å; L231-F249 HydrophobicContact CD1-CG 4.08Å; L231-F249 HydrophobicContact CD1-CZ 4.22Å; L231-F249 HydrophobicContact CD2-CE1 4.37Å; L231-F249 HydrophobicContact CG-CE1 4.22Å; L231-F249 HydrophobicContact CG-CZ 4.41Å
232C91.8Very high92.4Very high29 Ų2939 Ų3920%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-159137.7-174.3-176.90000110.9Y221 I222 N230 F249Y221-C232 CarbonylContact C-O 3.58Å; Y221-C232 WeakPolarHBondContact CA-O 3.35Å; I222-C232 HydrophobicContact CB-CB 4.14Å; I222-C232 HydrophobicContact CD1-CB 4.06Å; I222-C232 HydrophobicContact CG1-CB 4.23Å; I222-C232 PolarHBondContact N-O 2.89Å; I222-C232 PolarHBondContact O-N 3.41Å; N230-C232 PolarHBondContact OD1-N 3.35Å; N230-C232 PolarHBondContact OD1-O 2.79Å; C232-F249 HydrophobicContact CB-CE2 3.86Å; C232-F249 HydrophobicContact CB-CZ 4.31Å
233E93Very high92.5Very high95 Ų9540 Ų4044%0.44423%0.226SC..EExtended strand (participates in β ladder)trans-124.8130.1174.5173.5168-165.900108.9F219 I220 Y221F219-E233 HydrophobicContact CD1-CG 3.75Å; F219-E233 WeakPolarHBondContact CD1-OE1 3.38Å; F219-E233 HydrophobicContact CE1-CG 4.17Å; F219-E233 WeakPolarHBondContact CE1-OE1 3.39Å; I220-E233 WeakPolarHBondContact O-CA 3.33Å; Y221-E233 HydrophobicContact CD1-CB 3.98Å; Y221-E233 HydrophobicContact CD1-CG 4.05Å; Y221-E233 HydrophobicContact CE1-CB 3.85Å; Y221-E233 HydrophobicContact CE1-CG 3.47Å; Y221-E233 VanDerWaalsContact CE1-CG 3.47Å; Y221-E233 WeakPolarHBondContact CE1-OE1 3.43Å; Y221-E233 PolarHBondContact OH-OE1 3.04Å
234V95Very high92.6Very high5 Ų541 Ų413%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-132.8123.1179.2-175.80000109.4F219 I220 I267 A274F219-V234 WeakPolarHBondContact CA-O 3.21Å; I220-V234 HydrophobicContact CB-CB 4.44Å; I220-V234 PolarHBondContact N-O 3.24Å; I220-V234 PolarHBondContact O-N 3.15Å; V234-I267 HydrophobicContact CB-CD1 4.25Å; V234-I267 HydrophobicContact CG1-CD1 3.96Å; V234-I267 HydrophobicContact CG1-CG1 4.31Å; V234-I267 HydrophobicContact CG1-CG2 4.45Å; V234-I267 HydrophobicContact CG2-CG2 4.17Å; V234-A274 HydrophobicContact CG1-CB 4.38Å
235A94.8Very high92.8Very high45 Ų4541.5 Ų41.537%0.37224%0.238SC..EExtended strand (participates in β ladder)trans-74.4140.7173.100000111F219F219-A235 HydrophobicContact CD1-CB 4.13Å; F219-A235 HydrophobicContact CE1-CB 3.72Å; F219-A235 HydrophobicContact CZ-CB 4.34Å
236L95.5Very high93.2Very high14 Ų1444.8 Ų44.87%0.07325%0.254CS..  trans-115.5150176.5-68.3173.4000110.9C218 I220 S238 P240 V257 I267 A274C218-L236 HydrophobicContact CB-CB 4.26Å; C218-L236 VanDerWaalsContact CB-O 3.28Å; C218-L236 WeakPolarHBondContact CB-O 3.33Å; C218-L236 WeakPolarHBondContact O-CA 3.25Å; C218-L236 WeakPolarHBondContact O-CB 3.33Å; C218-L236 PolarHBondContact O-N 2.99Å; I220-L236 HydrophobicContact CD1-CD1 3.84Å; I220-L236 HydrophobicContact CG1-CD1 3.56Å; I220-L236 HydrophobicContact CG1-CD2 4.41Å; I220-L236 HydrophobicContact CG1-CG 4.03Å; L236-S238 WeakPolarHBondContact CB-O 3.23Å; L236-S238 PolarHBondContact O-N 3.42Å; L236-P240 HydrophobicContact CD1-CB 3.77Å; L236-P240 HydrophobicContact CD1-CG 3.83Å; L236-V257 HydrophobicContact CD1-CG1 3.89Å; L236-I267 HydrophobicContact CD2-CD1 4.28Å; L236-A274 HydrophobicContact CD2-CB 3.45Å; L236-A274 VanDerWaalsContact CD2-CB 3.45Å
237P94.6Very high93.6Very high89 Ų8944.3 Ų44.358%0.57826%0.259SS*.SBendtrans-71.6-14.5173.6-20.334.7000114.3Y265P237-Y265 HydrophobicContact CB-CE1 4.3Å; P237-Y265 HydrophobicContact CG-CD1 4.34Å; P237-Y265 HydrophobicContact CG-CE1 3.61Å
238S95.8Very high94Very high20 Ų2041.3 Ų41.314%0.1424%0.241CC..SBendtrans-154.6162.6-177.2-173.50000111.3L236 C259 N261L236-S238 WeakPolarHBondContact CB-O 3.23Å; L236-S238 PolarHBondContact O-N 3.42Å; S238-C259 PolarHBondContact O-SG 2.85Å; S238-N261 VanDerWaalsContact CB-CG 3.48Å; S238-N261 WeakPolarHBondContact CB-ND2 3.19Å; S238-N261 PolarHBondContact OG-N 3.06Å
239V96.4Very high94.5Very high18 Ų1838.4 Ų38.411%0.10923%0.227CC..  trans-65.4122.5-174.7-178.60000110.8T193 E216 C218 C259 R260T193-V239 HydrophobicContact CG2-CG1 3.82Å; E216-V239 WeakPolarHBondContact O-CG2 3.08Å; C218-V239 PolarHBondContact SG-N 3.33Å; C218-V239 VanDerWaalsContact SG-N 3.4Å; V239-C259 CarbonylContact O-C 3.5Å; V239-C259 WeakPolarHBondContact O-CA 3.49Å; V239-C259 WeakPolarHBondContact O-CB 3.23Å; V239-R260 HydrophobicContact CB-CB 4.46Å; V239-R260 HydrophobicContact CB-CG 4.05Å; V239-R260 HydrophobicContact CG1-CG 4.38Å; V239-R260 PolarHBondContact O-N 2.95Å
240P98.1Very high94.7Very high0 Ų036.6 Ų36.60%022%0.217CC..EExtended strand (participates in β ladder)trans-69.2145.8176.730-35.2000112T193 T215 I220 L236 V257 T258T193-P240 VanDerWaalsContact CB-O 3.23Å; T193-P240 WeakPolarHBondContact CB-O 3.19Å; T193-P240 PolarHBondContact OG1-O 3.22Å; T215-P240 WeakPolarHBondContact O-CD 3.4Å; I220-P240 HydrophobicContact CD1-CB 4.07Å; I220-P240 HydrophobicContact CD1-CG 4.16Å; L236-P240 HydrophobicContact CD1-CB 3.77Å; L236-P240 HydrophobicContact CD1-CG 3.83Å; P240-V257 HydrophobicContact CB-CG1 3.5Å; P240-V257 VanDerWaalsContact CB-CG1 3.5Å; P240-T258 CarbonylContact C-O 3.54Å; P240-T258 WeakPolarHBondContact CA-O 3.31Å
241V97.1Very high94.8Very high35 Ų3539.3 Ų39.321%0.21223%0.231CC..EExtended strand (participates in β ladder)trans-125.2-43-177.7-172.70000111.6C194 T258 R260C194-V241 WeakPolarHBondContact CB-O 3.2Å; V241-T258 PolarHBondContact N-O 2.93Å; V241-R260 HydrophobicContact CG2-CB 4.41Å; V241-R260 HydrophobicContact CG2-CG 3.47Å; V241-R260 VanDerWaalsContact CG2-CG 3.47Å
242H97.4Very high94.9Very high37 Ų3741.7 Ų41.717%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-133.7145.8176.1-47.592.1000110.7V257 T258 I285 L287H242-V257 WeakPolarHBondContact O-CA 3.41Å; H242-T258 HydrophobicContact CB-CG2 4.41Å; H242-T258 VanDerWaalsContact CB-OG1 3.23Å; H242-T258 WeakPolarHBondContact CB-OG1 3.21Å; H242-T258 PolarHBondContact N-O 3.06Å; H242-T258 PolarHBondContact N-OG1 2.99Å; H242-T258 PolarHBondContact ND1-OG1 3.11Å; H242-T258 PolarHBondContact O-N 2.93Å; H242-I285 VanDerWaalsContact CE1-C 3.48Å; H242-I285 PolarHBondContact CE1-O 2.98Å; H242-I285 PolarHBondContact NE2-O 2.65Å; H242-L287 HydrophobicContact CB-CB 4.2Å
243L97.5Very high95.1Very high23 Ų2340.8 Ų40.812%0.1224%0.236CC..EExtended strand (participates in β ladder)trans-123.6136.5179.6-58.9174.2000110.7C194 T196 T212 I220 V257C194-L243 HydrophobicContact CB-CD1 4.44Å; C194-L243 HydrophobicContact CB-CG 4.31Å; C194-L243 VanDerWaalsContact SG-CG 3.53Å; T196-L243 HydrophobicContact CG2-CB 3.46Å; T196-L243 VanDerWaalsContact CG2-CB 3.46Å; T196-L243 HydrophobicContact CG2-CD1 3.97Å; T196-L243 HydrophobicContact CG2-CG 4.35Å; T212-L243 HydrophobicContact CG2-CD1 4.22Å; I220-L243 HydrophobicContact CD1-CD1 4.46Å; I220-L243 HydrophobicContact CD1-CD2 3.51Å; L243-V257 HydrophobicContact CD2-CB 4.13Å; L243-V257 HydrophobicContact CD2-CG1 3.76Å; L243-V257 HydrophobicContact CD2-CG2 3.67Å
244N95.9Very high95.2Very high32 Ų3237.4 Ų37.417%0.17122%0.22CC..EExtended strand (participates in β ladder)trans-128.7103166.9-173.3-78.5000108.4I255 L256 L287 R289N244-I255 WeakPolarHBondContact O-CA 3.36Å; N244-L256 HydrophobicContact CB-CB 4.48Å; N244-L256 PolarHBondContact N-O 3.41Å; N244-L256 PolarHBondContact O-N 3.22Å; N244-L287 HydrophobicContact CB-CD2 3.62Å; N244-L287 HydrophobicContact CB-CG 4.13Å; N244-R289 WeakPolarHBondContact OD1-CB 3.35Å; N244-R289 WeakPolarHBondContact OD1-CD 3.34Å
245A95.6Very high95.3Very high16 Ų1637.1 Ų37.113%0.13222%0.219CC..EExtended strand (participates in β ladder)trans-103129.4179.200000109.9T196 M198 I255T196-A245 HydrophobicContact CG2-CB 3.82Å; M198-A245 HydrophobicContact CB-CB 3.97Å; M198-A245 HydrophobicContact CG-CB 4.45Å; M198-A245 HydrophobicContact SD-CB 4.35Å; A245-I255 HydrophobicContact CB-CG1 3.9Å; A245-I255 HydrophobicContact CB-CG2 4.41Å
246I93.3Very high95.5Very high73 Ų7335 Ų3537%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-128.1160.817368.2161.1000110.9Y253 H254 R289I246-Y253 VanDerWaalsContact O-CA 3.3Å; I246-Y253 WeakPolarHBondContact O-CA 3.35Å; I246-Y253 WeakPolarHBondContact O-CB 3.41Å; I246-H254 HydrophobicContact CG1-CB 4.24Å; I246-H254 WeakPolarHBondContact CG1-O 3.47Å; I246-H254 PolarHBondContact N-O 2.87Å; I246-H254 VanDerWaalsContact N-O 3.14Å; I246-H254 PolarHBondContact O-N 3.44Å; I246-H254 VanDerWaalsContact O-N 3.11Å; I246-R289 VanDerWaalsContact CD1-NH2 3.28Å
247G93.5Very high95.6Very high38 Ų3834.3 Ų34.339%0.39220%0.198SC..EExtended strand (participates in β ladder)trans89.9-152.8179.900000112.4D252G247-D252 CarbonylContact C-O 3.08Å; G247-D252 WeakPolarHBondContact CA-O 3.41Å
248S94.5Very high95.8Very high7 Ų730.1 Ų30.15%0.04917%0.17CC..BIsolated β-bridgetrans-136.8139.6-179.1-58.50000111.2S199 Q201 D250 I251 D252S199-S248 CarbonylContact O-C 3.47Å; S199-S248 WeakPolarHBondContact O-CA 3.35Å; Q201-S248 VanDerWaalsContact O-CB 3.27Å; Q201-S248 WeakPolarHBondContact O-CB 3.28Å; S248-D250 VanDerWaalsContact C-N 3.27Å; S248-D250 PolarHBondContact O-N 3.25Å; S248-I251 PolarHBondContact O-N 2.9Å; S248-D252 PolarHBondContact N-O 3.46Å; S248-D252 CarbonylContact O-C 3.58Å; S248-D252 VanDerWaalsContact O-C 3.29Å; S248-D252 PolarHBondContact O-N 3.31Å; S248-D252 VanDerWaalsContact O-N 3.14Å; S248-D252 VanDerWaalsContact O-O 3.08Å
249F94Very high95.9Very high25 Ų2529.1 Ų29.111%0.1116%0.163CC..SBendtrans-61.2-32.6-174179.5-95.4000113.3M198 S199 K200 I222 L231 C232 Y253 R269M198-F249 HydrophobicContact CE-CB 3.77Å; M198-F249 VanDerWaalsContact CE-N 3.27Å; S199-F249 PolarHBondContact O-N 2.75Å; K200-F249 CarbonylContact O-C 3.29Å; K200-F249 WeakPolarHBondContact O-CA 3.36Å; K200-F249 PolarHBondContact O-N 2.83Å; I222-F249 HydrophobicContact CB-CD2 4.49Å; I222-F249 HydrophobicContact CB-CE2 4.47Å; I222-F249 HydrophobicContact CD1-CD2 3.95Å; I222-F249 HydrophobicContact CD1-CE2 4.05Å; I222-F249 HydrophobicContact CG2-CD2 3.85Å; I222-F249 HydrophobicContact CG2-CE2 4.26Å; I222-F249 HydrophobicContact CG2-CG 4.5Å; L231-F249 HydrophobicContact CB-CD1 4.49Å; L231-F249 HydrophobicContact CB-CE1 3.8Å; L231-F249 HydrophobicContact CB-CE2 4Å; L231-F249 HydrophobicContact CB-CZ 3.51Å; L231-F249 HydrophobicContact CD1-CD1 3.7Å; L231-F249 HydrophobicContact CD1-CD2 4.49Å; L231-F249 HydrophobicContact CD1-CE1 3.78Å; L231-F249 HydrophobicContact CD1-CG 4.08Å; L231-F249 HydrophobicContact CD1-CZ 4.22Å; L231-F249 HydrophobicContact CD2-CE1 4.37Å; L231-F249 HydrophobicContact CG-CE1 4.22Å; L231-F249 HydrophobicContact CG-CZ 4.41Å; C232-F249 HydrophobicContact CB-CE2 3.86Å; C232-F249 HydrophobicContact CB-CZ 4.31Å; F249-Y253 HydrophobicContact CD2-CD1 4.18Å; F249-Y253 AromaticContact CD2-CE1 3.73Å; F249-Y253 HydrophobicContact CD2-CE1 3.73Å; F249-Y253 AromaticContact CE2-CE1 3.97Å; F249-Y253 HydrophobicContact CE2-CE1 3.97Å; F249-R269 VanDerWaalsContact O-CZ 3.27Å; F249-R269 PolarHBondContact O-NH1 2.85Å; F249-R269 PolarHBondContact O-NH2 3.16Å
250D92.3Very high95.8Very high59 Ų5934 Ų3432%0.31618%0.18SC..SBendtrans-90.2-20.7-177.5-66.8-21.6000113K200 Q201 S248 R269K200-D250 VanDerWaalsContact NZ-CG 3.31Å; K200-D250 IonicContact NZ-OD1 2.65Å; K200-D250 PolarHBondContact NZ-OD1 3.42Å; K200-D250 IonicContact NZ-OD2 2.79Å; K200-D250 PolarHBondContact NZ-OD2 3.16Å; K200-D250 WeakPolarHBondContact O-CB 3.35Å; K200-D250 PolarHBondContact O-N 2.94Å; Q201-D250 WeakPolarHBondContact CG-OD2 3.39Å; S248-D250 VanDerWaalsContact C-N 3.27Å; S248-D250 PolarHBondContact O-N 3.25Å; D250-R269 PolarHBondContact O-NH1 2.69Å; D250-R269 PolarHBondContact O-NH2 2.66Å
251I93.2Very high95.7Very high113 Ų11337.2 Ų37.258%0.57920%0.197SC*.SBendtrans-99.7-81.6179.7-59.6170.7000110.1Q201 H202 S248 R269Q201-I251 WeakPolarHBondContact O-CD1 3.32Å; Q201-I251 VanDerWaalsContact O-CG1 3.24Å; Q201-I251 WeakPolarHBondContact O-CG1 3.12Å; H202-I251 HydrophobicContact CB-CD1 4.3Å; S248-I251 PolarHBondContact O-N 2.9Å; I251-R269 VanDerWaalsContact C-NH1 3.26Å; I251-R269 WeakPolarHBondContact O-CD 3.46Å; I251-R269 PolarHBondContact O-NH1 2.87Å
252D94.1Very high95.6Very high102 Ų10235.8 Ų35.855%0.54519%0.189SC..  trans-154.9140.9177.9-17426.2000108.7G247 S248G247-D252 CarbonylContact C-O 3.08Å; G247-D252 WeakPolarHBondContact CA-O 3.41Å; S248-D252 PolarHBondContact N-O 3.46Å; S248-D252 CarbonylContact O-C 3.58Å; S248-D252 VanDerWaalsContact O-C 3.29Å; S248-D252 PolarHBondContact O-N 3.31Å; S248-D252 VanDerWaalsContact O-N 3.14Å; S248-D252 VanDerWaalsContact O-O 3.08Å
253Y95.2Very high95.6Very high11 Ų1135.4 Ų35.44%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-142.8151.5-179.168.5-100.4000111.3M198 I222 I246 F249 I255 I267 R269M198-Y253 HydrophobicContact CE-CD1 3.95Å; M198-Y253 HydrophobicContact CE-CD2 4.38Å; M198-Y253 HydrophobicContact CE-CG 3.66Å; I222-Y253 HydrophobicContact CD1-CE2 4.18Å; I246-Y253 VanDerWaalsContact O-CA 3.3Å; I246-Y253 WeakPolarHBondContact O-CA 3.35Å; I246-Y253 WeakPolarHBondContact O-CB 3.41Å; F249-Y253 HydrophobicContact CD2-CD1 4.18Å; F249-Y253 AromaticContact CD2-CE1 3.73Å; F249-Y253 HydrophobicContact CD2-CE1 3.73Å; F249-Y253 AromaticContact CE2-CE1 3.97Å; F249-Y253 HydrophobicContact CE2-CE1 3.97Å; Y253-I255 HydrophobicContact CD2-CD1 3.88Å; Y253-I255 HydrophobicContact CD2-CG1 3.92Å; Y253-I255 HydrophobicContact CE2-CD1 3.85Å; Y253-I255 HydrophobicContact CE2-CG1 4.33Å; Y253-I267 HydrophobicContact CE2-CG2 4.35Å; Y253-R269 HydrophobicContact CD1-CB 3.94Å; Y253-R269 HydrophobicContact CD1-CG 4.08Å; Y253-R269 HydrophobicContact CE1-CB 3.85Å; Y253-R269 HydrophobicContact CE1-CG 3.75Å; Y253-R269 HydrophobicContact CG-CB 4.44Å; Y253-R269 PolarHBondContact O-N 3.25Å
254H95.7Very high95.6Very high23 Ų2334.3 Ų34.311%0.10618%0.182CC..EExtended strand (participates in β ladder)trans-136.6117.1173.2-179.7-163.1000108.6I246 L256 S266 I267 R289I246-H254 HydrophobicContact CG1-CB 4.24Å; I246-H254 WeakPolarHBondContact CG1-O 3.47Å; I246-H254 PolarHBondContact N-O 2.87Å; I246-H254 VanDerWaalsContact N-O 3.14Å; I246-H254 PolarHBondContact O-N 3.44Å; I246-H254 VanDerWaalsContact O-N 3.11Å; H254-L256 VanDerWaalsContact NE2-CD2 3.31Å; H254-L256 WeakPolarHBondContact NE2-CD2 3.48Å; H254-S266 PolarHBondContact CD2-OG 2.99Å; H254-S266 PolarHBondContact NE2-OG 3.1Å; H254-I267 WeakPolarHBondContact CA-O 3.24Å; H254-R289 VanDerWaalsContact CG-NH1 3.34Å; H254-R289 VanDerWaalsContact ND1-CZ 3.35Å; H254-R289 PolarHBondContact ND1-NH1 2.89Å; H254-R289 PolarHBondContact ND1-NH2 3.47Å; H254-R289 PolarHBondContact O-NH1 2.81Å
255I97.4Very high95.7Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-106.6125.4177.7-54.1163.6000108M198 T212 I222 N244 A245 Y253 V257 I267M198-I255 HydrophobicContact SD-CD1 4.31Å; T212-I255 HydrophobicContact CG2-CD1 4.03Å; I222-I255 HydrophobicContact CD1-CD1 3.77Å; I222-I255 HydrophobicContact CG1-CD1 4.43Å; N244-I255 WeakPolarHBondContact O-CA 3.36Å; A245-I255 HydrophobicContact CB-CG1 3.9Å; A245-I255 HydrophobicContact CB-CG2 4.41Å; Y253-I255 HydrophobicContact CD2-CD1 3.88Å; Y253-I255 HydrophobicContact CD2-CG1 3.92Å; Y253-I255 HydrophobicContact CE2-CD1 3.85Å; Y253-I255 HydrophobicContact CE2-CG1 4.33Å; I255-V257 HydrophobicContact CG2-CG2 3.86Å; I255-I267 HydrophobicContact CB-CB 4.3Å; I255-I267 PolarHBondContact N-O 2.91Å; I255-I267 PolarHBondContact O-N 3.38Å
256L97.8Very high95.8Very high0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-98.7133.5166.3-67.7179.2000109.2N244 H254 I264 Y265 Y277 L287 V294N244-L256 HydrophobicContact CB-CB 4.48Å; N244-L256 PolarHBondContact N-O 3.41Å; N244-L256 PolarHBondContact O-N 3.22Å; H254-L256 VanDerWaalsContact NE2-CD2 3.31Å; H254-L256 WeakPolarHBondContact NE2-CD2 3.48Å; L256-I264 HydrophobicContact CB-CG2 4.48Å; L256-I264 HydrophobicContact CD2-CG2 4.44Å; L256-Y265 WeakPolarHBondContact CA-O 3.46Å; L256-Y277 HydrophobicContact CD2-CD1 4.23Å; L256-Y277 HydrophobicContact CD2-CD2 4.04Å; L256-Y277 HydrophobicContact CD2-CE1 4.41Å; L256-Y277 HydrophobicContact CD2-CE2 4.21Å; L256-Y277 HydrophobicContact CD2-CG 4.02Å; L256-L287 HydrophobicContact CB-CD2 3.85Å; L256-V294 HydrophobicContact CD1-CB 4.38Å; L256-V294 HydrophobicContact CD1-CG1 3.93Å; L256-V294 HydrophobicContact CD1-CG2 3.48Å; L256-V294 VanDerWaalsContact CD1-CG2 3.48Å
257V98.1Very high95.9Very high0 Ų029.5 Ų29.50%016%0.155CC..EExtended strand (participates in β ladder)trans-126.2122.5-176-174.30000108.7I220 L236 P240 H242 L243 I255 I264 Y265 I267I220-V257 HydrophobicContact CD1-CG1 4.15Å; I220-V257 HydrophobicContact CD1-CG2 4.08Å; I220-V257 HydrophobicContact CG1-CG2 4.23Å; L236-V257 HydrophobicContact CD1-CG1 3.89Å; P240-V257 HydrophobicContact CB-CG1 3.5Å; P240-V257 VanDerWaalsContact CB-CG1 3.5Å; H242-V257 WeakPolarHBondContact O-CA 3.41Å; L243-V257 HydrophobicContact CD2-CB 4.13Å; L243-V257 HydrophobicContact CD2-CG1 3.76Å; L243-V257 HydrophobicContact CD2-CG2 3.67Å; I255-V257 HydrophobicContact CG2-CG2 3.86Å; V257-I264 CarbonylContact O-C 3.51Å; V257-I264 VanDerWaalsContact O-CA 3.31Å; V257-I264 WeakPolarHBondContact O-CA 3.42Å; V257-Y265 PolarHBondContact N-O 3.04Å; V257-Y265 PolarHBondContact O-N 3.37Å; V257-I267 HydrophobicContact CG2-CD1 3.93Å
258T98.3Very high96Very high0 Ų032.4 Ų32.40%016%0.157CC..EExtended strand (participates in β ladder)trans-92.1137.3169.266.80000109.1P240 V241 H242 I264 I284 L287P240-T258 CarbonylContact C-O 3.54Å; P240-T258 WeakPolarHBondContact CA-O 3.31Å; V241-T258 PolarHBondContact N-O 2.93Å; H242-T258 HydrophobicContact CB-CG2 4.41Å; H242-T258 VanDerWaalsContact CB-OG1 3.23Å; H242-T258 WeakPolarHBondContact CB-OG1 3.21Å; H242-T258 PolarHBondContact N-O 3.06Å; H242-T258 PolarHBondContact N-OG1 2.99Å; H242-T258 PolarHBondContact ND1-OG1 3.11Å; H242-T258 PolarHBondContact O-N 2.93Å; T258-I264 HydrophobicContact CG2-CD1 4.49Å; T258-I264 HydrophobicContact CG2-CG1 4.19Å; T258-I284 HydrophobicContact CG2-CD1 3.94Å; T258-I284 HydrophobicContact CG2-CG2 3.89Å; T258-L287 HydrophobicContact CG2-CB 3.72Å; T258-L287 HydrophobicContact CG2-CD1 4.19Å; T258-L287 HydrophobicContact CG2-CD2 3.81Å; T258-L287 HydrophobicContact CG2-CG 4.11Å
259C97.7Very high95.9Very high0 Ų036.9 Ų36.90%017%0.173CC..EExtended strand (participates in β ladder)trans-118.1166.2-179.6-66.90000112.8S238 V239 N261 G262 I263 Y265S238-C259 PolarHBondContact O-SG 2.85Å; V239-C259 CarbonylContact O-C 3.5Å; V239-C259 WeakPolarHBondContact O-CA 3.49Å; V239-C259 WeakPolarHBondContact O-CB 3.23Å; C259-N261 VanDerWaalsContact CB-OD1 3.25Å; C259-N261 WeakPolarHBondContact CB-OD1 3.25Å; C259-N261 PolarHBondContact O-N 2.91Å; C259-G262 PolarHBondContact O-N 2.67Å; C259-I263 PolarHBondContact N-O 2.75Å; C259-Y265 HydrophobicContact CB-CD2 4.22Å; C259-Y265 HydrophobicContact CB-CE2 3.93Å; C259-Y265 VanDerWaalsContact SG-CD2 3.52Å
260R95.8Very high95.5Very high120 Ų12039.5 Ų39.545%0.45321%0.207SC..THydrogen-bonded Turntrans-64.9-13.7-179.9-70.4-170.5-175.8156.26.6114.9E216 V239 V241 Q283E216-R260 IonicContact OE1-CZ 4Å; E216-R260 IonicContact OE1-NH1 3.04Å; E216-R260 PolarHBondContact OE1-NH1 2.87Å; E216-R260 IonicContact OE1-NH2 3.1Å; E216-R260 PolarHBondContact OE1-NH2 2.91Å; E216-R260 IonicContact OE2-CZ 3.99Å; E216-R260 VanDerWaalsContact OE2-CZ 3.28Å; E216-R260 IonicContact OE2-NH1 3.19Å; E216-R260 PolarHBondContact OE2-NH1 2.69Å; E216-R260 IonicContact OE2-NH2 2.69Å; E216-R260 PolarHBondContact OE2-NH2 3.43Å; V239-R260 HydrophobicContact CB-CB 4.46Å; V239-R260 HydrophobicContact CB-CG 4.05Å; V239-R260 HydrophobicContact CG1-CG 4.38Å; V239-R260 PolarHBondContact O-N 2.95Å; V241-R260 HydrophobicContact CG2-CB 4.41Å; V241-R260 HydrophobicContact CG2-CG 3.47Å; V241-R260 VanDerWaalsContact CG2-CG 3.47Å; R260-Q283 PolarHBondContact O-OE1 3.45Å
261N95.2Very high95.3Very high68 Ų6839 Ų3936%0.36420%0.203SC..THydrogen-bonded Turntrans-83.54.6171.963.4-8.9000113.3S238 C259 I263 Y265S238-N261 VanDerWaalsContact CB-CG 3.48Å; S238-N261 WeakPolarHBondContact CB-ND2 3.19Å; S238-N261 PolarHBondContact OG-N 3.06Å; C259-N261 VanDerWaalsContact CB-OD1 3.25Å; C259-N261 WeakPolarHBondContact CB-OD1 3.25Å; C259-N261 PolarHBondContact O-N 2.91Å; N261-I263 WeakPolarHBondContact ND2-CD1 3.49Å; N261-I263 PolarHBondContact O-N 3.24Å; N261-I263 WeakPolarHBondContact OD1-CB 3.5Å; N261-I263 PolarHBondContact OD1-N 3.02Å; N261-Y265 PolarHBondContact ND2-OH 2.69Å
262G94.6Very high94.8Very high5 Ų537.4 Ų37.45%0.05221%0.207CC..SBendtrans74.411.9-178.700000114.2C259 T280C259-G262 PolarHBondContact O-N 2.67Å; G262-T280 PolarHBondContact O-N 3.3Å; G262-T280 PolarHBondContact O-OG1 2.99Å
263I97.5Very high94.5Very high28 Ų2837.9 Ų37.914%0.14421%0.209CC..EExtended strand (participates in β ladder)trans-101.2143.5177.4-53.3-176.9000109.4C259 N261 Y265 V276 E279C259-I263 PolarHBondContact N-O 2.75Å; N261-I263 WeakPolarHBondContact ND2-CD1 3.49Å; N261-I263 PolarHBondContact O-N 3.24Å; N261-I263 WeakPolarHBondContact OD1-CB 3.5Å; N261-I263 PolarHBondContact OD1-N 3.02Å; I263-Y265 HydrophobicContact CB-CE2 3.94Å; I263-Y265 HydrophobicContact CG2-CD2 4.4Å; I263-Y265 HydrophobicContact CG2-CE1 4.05Å; I263-Y265 HydrophobicContact CG2-CE2 3.91Å; I263-V276 HydrophobicContact CG2-CG1 3.95Å; I263-E279 HydrophobicContact CD1-CG 4.15Å; I263-E279 HydrophobicContact CG1-CG 4.08Å; I263-E279 HydrophobicContact CG2-CG 4.32Å
264I97.8Very high94.4Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-100.7131.2171.3-50.5-178.7000107.4L256 V257 T258 Y277 V278 T280 I284 V296L256-I264 HydrophobicContact CB-CG2 4.48Å; L256-I264 HydrophobicContact CD2-CG2 4.44Å; V257-I264 CarbonylContact O-C 3.51Å; V257-I264 VanDerWaalsContact O-CA 3.31Å; V257-I264 WeakPolarHBondContact O-CA 3.42Å; T258-I264 HydrophobicContact CG2-CD1 4.49Å; T258-I264 HydrophobicContact CG2-CG1 4.19Å; I264-Y277 HydrophobicContact CB-CD1 4.11Å; I264-Y277 HydrophobicContact CG2-CD1 3.82Å; I264-Y277 HydrophobicContact CG2-CG 4.33Å; I264-Y277 WeakPolarHBondContact O-CA 3.01Å; I264-Y277 WeakPolarHBondContact O-CB 3.21Å; I264-Y277 PolarHBondContact O-N 2.93Å; I264-V278 PolarHBondContact N-O 2.79Å; I264-V278 PolarHBondContact O-N 3.05Å; I264-T280 HydrophobicContact CD1-CG2 3.95Å; I264-T280 HydrophobicContact CG1-CG2 4.16Å; I264-I284 HydrophobicContact CD1-CD1 4.18Å; I264-I284 HydrophobicContact CG1-CD1 3.64Å; I264-V296 HydrophobicContact CD1-CB 4.5Å; I264-V296 HydrophobicContact CD1-CG1 4.27Å; I264-V296 HydrophobicContact CD1-CG2 3.51Å
265Y97.8Very high94.4Very high9 Ų942.5 Ų42.54%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-110.1148.2174-61.6-84.4000110.5P237 L256 V257 C259 N261 I263 K275 V276P237-Y265 HydrophobicContact CB-CE1 4.3Å; P237-Y265 HydrophobicContact CG-CD1 4.34Å; P237-Y265 HydrophobicContact CG-CE1 3.61Å; L256-Y265 WeakPolarHBondContact CA-O 3.46Å; V257-Y265 PolarHBondContact N-O 3.04Å; V257-Y265 PolarHBondContact O-N 3.37Å; C259-Y265 HydrophobicContact CB-CD2 4.22Å; C259-Y265 HydrophobicContact CB-CE2 3.93Å; C259-Y265 VanDerWaalsContact SG-CD2 3.52Å; N261-Y265 PolarHBondContact ND2-OH 2.69Å; I263-Y265 HydrophobicContact CB-CE2 3.94Å; I263-Y265 HydrophobicContact CG2-CD2 4.4Å; I263-Y265 HydrophobicContact CG2-CE1 4.05Å; I263-Y265 HydrophobicContact CG2-CE2 3.91Å; Y265-K275 CarbonylContact C-O 3.54Å; Y265-K275 VanDerWaalsContact CA-O 3.24Å; Y265-K275 WeakPolarHBondContact CA-O 3.47Å; Y265-V276 HydrophobicContact CD1-CG2 4.21Å; Y265-V276 HydrophobicContact CE1-CG2 3.73Å
266S96.9Very high94.3Very high10 Ų1046.7 Ų46.77%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-111.8131.4176.3173.70000108.8H254 K275H254-S266 PolarHBondContact CD2-OG 2.99Å; H254-S266 PolarHBondContact NE2-OG 3.1Å; S266-K275 PolarHBondContact N-O 2.95Å; S266-K275 PolarHBondContact O-N 3.06Å
267I96.6Very high94.2Very high1 Ų148 Ų481%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-122.6115.6173.4-56.7170.6000107.1I220 V234 L236 Y253 H254 I255 V257 A274I220-I267 HydrophobicContact CB-CD1 4.26Å; I220-I267 HydrophobicContact CG1-CD1 3.9Å; I220-I267 HydrophobicContact CG2-CD1 4.48Å; V234-I267 HydrophobicContact CB-CD1 4.25Å; V234-I267 HydrophobicContact CG1-CD1 3.96Å; V234-I267 HydrophobicContact CG1-CG1 4.31Å; V234-I267 HydrophobicContact CG1-CG2 4.45Å; V234-I267 HydrophobicContact CG2-CG2 4.17Å; L236-I267 HydrophobicContact CD2-CD1 4.28Å; Y253-I267 HydrophobicContact CE2-CG2 4.35Å; H254-I267 WeakPolarHBondContact CA-O 3.24Å; I255-I267 HydrophobicContact CB-CB 4.3Å; I255-I267 PolarHBondContact N-O 2.91Å; I255-I267 PolarHBondContact O-N 3.38Å; V257-I267 HydrophobicContact CG2-CD1 3.93Å; I267-A274 HydrophobicContact CD1-CB 4.23Å; I267-A274 HydrophobicContact CG1-CB 3.67Å
268K95.3Very high94.1Very high100 Ų10048.6 Ų48.644%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-107.6156.6173-62.4-179.8-179.2-179.80110.3G270 E271K268-G270 PolarHBondContact O-N 3.21Å; K268-E271 HydrophobicContact CB-CG 4.18Å; K268-E271 PolarHBondContact N-OE2 2.77Å; K268-E271 WeakPolarHBondContact O-CB 3.48Å; K268-E271 PolarHBondContact O-N 2.78Å; K268-E271 VanDerWaalsContact O-N 3.16Å
269R92.5Very high93.9Very high100 Ų10055.4 Ų55.438%0.37730%0.298SS..THydrogen-bonded Turntrans-53.5131.5176.4-167.7-151.3-173.583.814.4111.1F249 D250 I251 Y253 E271F249-R269 VanDerWaalsContact O-CZ 3.27Å; F249-R269 PolarHBondContact O-NH1 2.85Å; F249-R269 PolarHBondContact O-NH2 3.16Å; D250-R269 PolarHBondContact O-NH1 2.69Å; D250-R269 PolarHBondContact O-NH2 2.66Å; I251-R269 VanDerWaalsContact C-NH1 3.26Å; I251-R269 WeakPolarHBondContact O-CD 3.46Å; I251-R269 PolarHBondContact O-NH1 2.87Å; Y253-R269 HydrophobicContact CD1-CB 3.94Å; Y253-R269 HydrophobicContact CD1-CG 4.08Å; Y253-R269 HydrophobicContact CE1-CB 3.85Å; Y253-R269 HydrophobicContact CE1-CG 3.75Å; Y253-R269 HydrophobicContact CG-CB 4.44Å; Y253-R269 PolarHBondContact O-N 3.25Å; R269-E271 VanDerWaalsContact C-N 3.27Å; R269-E271 PolarHBondContact O-N 2.88Å
270G86Confident93.5Very high80 Ų8055.9 Ų55.983%0.82530%0.301SS*.THydrogen-bonded Turntrans83.7-6176.100000114.5K268K268-G270 PolarHBondContact O-N 3.21Å
271E87.9Confident93.2Very high48 Ų4854 Ų5422%0.22432%0.319CS..  trans-80.9126.6170.1-61.4-172.8154.500109.7K268 R269 K275K268-E271 HydrophobicContact CB-CG 4.18Å; K268-E271 PolarHBondContact N-OE2 2.77Å; K268-E271 WeakPolarHBondContact O-CB 3.48Å; K268-E271 PolarHBondContact O-N 2.78Å; K268-E271 VanDerWaalsContact O-N 3.16Å; R269-E271 VanDerWaalsContact C-N 3.27Å; R269-E271 PolarHBondContact O-N 2.88Å; E271-K275 WeakPolarHBondContact OE1-CE 3.38Å; E271-K275 IonicContact OE1-NZ 2.69Å; E271-K275 PolarHBondContact OE1-NZ 3.31Å
272A82Confident93.1Very high80 Ų8052 Ų5266%0.66131%0.31SS*.SBendtrans-73.8-28.6-179.200000113.1
273N88.8Confident93.2Very high112 Ų11254.5 Ų54.560%0.59932%0.32SS*.SBendtrans-129.3145.9-175.8-65.4-41.6000110.2
274A93.6Very high93.2Very high15 Ų1553.3 Ų53.312%0.12432%0.315CS..PPolyproline II helixtrans-68.5134.4174.600000111.3V234 L236 I267V234-A274 HydrophobicContact CG1-CB 4.38Å; L236-A274 HydrophobicContact CD2-CB 3.45Å; L236-A274 VanDerWaalsContact CD2-CB 3.45Å; I267-A274 HydrophobicContact CD1-CB 4.23Å; I267-A274 HydrophobicContact CG1-CB 3.67Å
275K95.1Very high93.1Very high116 Ų11654.8 Ų54.850%0.50432%0.322SS..EExtended strand (participates in β ladder)trans-96.7145178.4-69177-179.81690110.6Y265 S266 E271 Y277Y265-K275 CarbonylContact C-O 3.54Å; Y265-K275 VanDerWaalsContact CA-O 3.24Å; Y265-K275 WeakPolarHBondContact CA-O 3.47Å; S266-K275 PolarHBondContact N-O 2.95Å; S266-K275 PolarHBondContact O-N 3.06Å; E271-K275 WeakPolarHBondContact OE1-CE 3.38Å; E271-K275 IonicContact OE1-NZ 2.69Å; E271-K275 PolarHBondContact OE1-NZ 3.31Å; K275-Y277 PolarHBondContact O-N 2.68Å
276V95.5Very high93Very high88 Ų8854.6 Ų54.653%0.53332%0.322SS..EExtended strand (participates in β ladder)trans-61.2124.7171177.90000108.4I263 Y265 E279I263-V276 HydrophobicContact CG2-CG1 3.95Å; Y265-V276 HydrophobicContact CD1-CG2 4.21Å; Y265-V276 HydrophobicContact CE1-CG2 3.73Å; V276-E279 HydrophobicContact CG1-CG 4.43Å
277Y95.7Very high92.9Very high28 Ų2854.9 Ų54.911%0.1132%0.323CS..EExtended strand (participates in β ladder)trans-94.2-59.9175.9-177-106.7000110.2L256 I264 K275 V294 S307 L308 G310L256-Y277 HydrophobicContact CD2-CD1 4.23Å; L256-Y277 HydrophobicContact CD2-CD2 4.04Å; L256-Y277 HydrophobicContact CD2-CE1 4.41Å; L256-Y277 HydrophobicContact CD2-CE2 4.21Å; L256-Y277 HydrophobicContact CD2-CG 4.02Å; I264-Y277 HydrophobicContact CB-CD1 4.11Å; I264-Y277 HydrophobicContact CG2-CD1 3.82Å; I264-Y277 HydrophobicContact CG2-CG 4.33Å; I264-Y277 WeakPolarHBondContact O-CA 3.01Å; I264-Y277 WeakPolarHBondContact O-CB 3.21Å; I264-Y277 PolarHBondContact O-N 2.93Å; K275-Y277 PolarHBondContact O-N 2.68Å; Y277-V294 HydrophobicContact CE1-CB 4.34Å; Y277-V294 HydrophobicContact CE1-CG1 4.43Å; Y277-V294 HydrophobicContact CE1-CG2 4.15Å; Y277-V294 VanDerWaalsContact OH-CG2 3.27Å; Y277-V294 WeakPolarHBondContact OH-CG2 3.42Å; Y277-S307 PolarHBondContact OH-O 2.9Å; Y277-L308 WeakPolarHBondContact CE2-O 3.19Å; Y277-L308 WeakPolarHBondContact OH-CA 3.34Å; Y277-L308 PolarHBondContact OH-O 2.83Å; Y277-G310 PolarHBondContact OH-N 2.66Å
278V95.1Very high92.8Very high12 Ų1255.6 Ų55.67%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-152.4139.4-176.7168.90000110.1I264 T280 F306 G310I264-V278 PolarHBondContact N-O 2.79Å; I264-V278 PolarHBondContact O-N 3.05Å; V278-T280 HydrophobicContact CG1-CG2 4.23Å; V278-F306 HydrophobicContact CB-CE1 4.49Å; V278-F306 HydrophobicContact CG1-CD1 3.84Å; V278-F306 HydrophobicContact CG1-CD2 4.42Å; V278-F306 HydrophobicContact CG1-CE1 3.39Å; V278-F306 HydrophobicContact CG1-CE2 4Å; V278-F306 HydrophobicContact CG1-CG 4.35Å; V278-F306 HydrophobicContact CG1-CZ 3.48Å; V278-F306 VanDerWaalsContact CG1-CZ 3.48Å; V278-F306 HydrophobicContact CG2-CD1 3.83Å; V278-F306 HydrophobicContact CG2-CE1 4.25Å; V278-F306 HydrophobicContact CG2-CG 4.1Å; V278-G310 VanDerWaalsContact CG2-O 3.27Å; V278-G310 WeakPolarHBondContact CG2-O 3.48Å
279E93.6Very high92.6Very high143 Ų14352.6 Ų52.667%0.66831%0.313SS*.EExtended strand (participates in β ladder)trans-96.7119.8165.4-57.8-171.4172.200109.8I263 V276I263-E279 HydrophobicContact CD1-CG 4.15Å; I263-E279 HydrophobicContact CG1-CG 4.08Å; I263-E279 HydrophobicContact CG2-CG 4.32Å; V276-E279 HydrophobicContact CG1-CG 4.43Å
280T90.9Very high92.2Very high11 Ų1148.5 Ų48.57%0.06730%0.299CS..  trans-89.5-18.7-173.766.40000113.4G262 I264 V278 S282 I284 V296 K304G262-T280 PolarHBondContact O-N 3.3Å; G262-T280 PolarHBondContact O-OG1 2.99Å; I264-T280 HydrophobicContact CD1-CG2 3.95Å; I264-T280 HydrophobicContact CG1-CG2 4.16Å; V278-T280 HydrophobicContact CG1-CG2 4.23Å; T280-S282 PolarHBondContact O-N 3.21Å; T280-S282 PolarHBondContact OG1-O 3.4Å; T280-I284 HydrophobicContact CG2-CD1 3.91Å; T280-I284 HydrophobicContact CG2-CG1 4.12Å; T280-V296 HydrophobicContact CG2-CG1 4.32Å; T280-K304 PolarHBondContact O-NZ 3.01Å
281G88.3Confident92Very high81 Ų8151.3 Ų51.384%0.83529%0.291SS*.SBendtrans72.77.4-177.100000115.2
282S93.7Very high91.9Very high24 Ų2455 Ų5517%0.16831%0.306CS..SBendtrans-151162.5177.1-175.40000110.2T280 I284 D300T280-S282 PolarHBondContact O-N 3.21Å; T280-S282 PolarHBondContact OG1-O 3.4Å; S282-I284 PolarHBondContact O-N 3.45Å; S282-D300 WeakPolarHBondContact CB-OD2 3.27Å; S282-D300 WeakPolarHBondContact OG-CB 3.35Å; S282-D300 PolarHBondContact OG-N 2.74Å; S282-D300 VanDerWaalsContact OG-N 3.13Å
283Q96Very high92.3Very high58 Ų5851.3 Ų51.327%0.27128%0.276SS..  trans-66.9134.7175.9-174.355.343.600110.3R260 C298 M299R260-Q283 PolarHBondContact O-OE1 3.45Å; Q283-C298 CarbonylContact O-C 3.5Å; Q283-C298 VanDerWaalsContact O-CA 3.3Å; Q283-C298 WeakPolarHBondContact O-CA 3.36Å; Q283-M299 HydrophobicContact CB-CB 4.23Å; Q283-M299 HydrophobicContact CB-CG 4.15Å; Q283-M299 HydrophobicContact CB-SD 3.86Å; Q283-M299 HydrophobicContact CG-SD 4.06Å; Q283-M299 PolarHBondContact O-N 3.45Å
284I97.7Very high92.5Very high4 Ų446 Ų462%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-88.4127.6-176.1-59.9163.2000109.7T258 I264 T280 S282 V296T258-I284 HydrophobicContact CG2-CD1 3.94Å; T258-I284 HydrophobicContact CG2-CG2 3.89Å; I264-I284 HydrophobicContact CD1-CD1 4.18Å; I264-I284 HydrophobicContact CG1-CD1 3.64Å; T280-I284 HydrophobicContact CG2-CD1 3.91Å; T280-I284 HydrophobicContact CG2-CG1 4.12Å; S282-I284 PolarHBondContact O-N 3.45Å; I284-V296 HydrophobicContact CB-CG1 4.27Å; I284-V296 HydrophobicContact CD1-CG1 4.32Å; I284-V296 HydrophobicContact CG1-CG1 3.91Å; I284-V296 HydrophobicContact CG2-CG1 3.46Å; I284-V296 VanDerWaalsContact CG2-CG1 3.46Å
285I96.2Very high92.6Very high31 Ų3145.3 Ų45.316%0.15924%0.242CC..EExtended strand (participates in β ladder)trans-91.4-32177.6-66.6163.2000111.4H242 A297 M299 I322 L323H242-I285 VanDerWaalsContact CE1-C 3.48Å; H242-I285 PolarHBondContact CE1-O 2.98Å; H242-I285 PolarHBondContact NE2-O 2.65Å; I285-A297 HydrophobicContact CB-CB 4.43Å; I285-A297 PolarHBondContact N-O 2.92Å; I285-M299 HydrophobicContact CD1-CB 4.45Å; I285-M299 HydrophobicContact CD1-CG 4Å; I285-M299 HydrophobicContact CG1-CG 3.9Å; I285-I322 HydrophobicContact CD1-CB 3.95Å; I285-I322 HydrophobicContact CD1-CG2 4.24Å; I285-I322 WeakPolarHBondContact CD1-O 3.44Å; I285-I322 HydrophobicContact CG2-CG2 4.49Å; I285-L323 WeakPolarHBondContact CG2-O 3.36Å
286G95Very high92.6Very high4 Ų439.8 Ų39.84%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-170.615917600000113.2A297G286-A297 PolarHBondContact O-N 3.3Å; G286-A297 VanDerWaalsContact O-N 3.13Å
287L95.8Very high92.6Very high16 Ų1635.6 Ų35.68%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-125.9122-173173.766.9000109.4H242 N244 L256 T258 V294 V296H242-L287 HydrophobicContact CB-CB 4.2Å; N244-L287 HydrophobicContact CB-CD2 3.62Å; N244-L287 HydrophobicContact CB-CG 4.13Å; L256-L287 HydrophobicContact CB-CD2 3.85Å; T258-L287 HydrophobicContact CG2-CB 3.72Å; T258-L287 HydrophobicContact CG2-CD1 4.19Å; T258-L287 HydrophobicContact CG2-CD2 3.81Å; T258-L287 HydrophobicContact CG2-CG 4.11Å; L287-V294 HydrophobicContact CD1-CG1 3.53Å; L287-V296 HydrophobicContact CD1-CG2 4.12Å
288L93.8Very high92.7Very high17 Ų1734.3 Ų34.39%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-121.3147.1170-57.9-176.2000109.6I295 I325 P327 Y342L288-I295 HydrophobicContact CB-CB 4.33Å; L288-I295 PolarHBondContact N-O 3.19Å; L288-I295 PolarHBondContact O-N 2.87Å; L288-I295 VanDerWaalsContact O-O 3.11Å; L288-I325 HydrophobicContact CD1-CD1 3.7Å; L288-I325 HydrophobicContact CD1-CG1 3.68Å; L288-I325 HydrophobicContact CG-CD1 4.13Å; L288-I325 HydrophobicContact CG-CG1 4.2Å; L288-P327 HydrophobicContact CD2-CB 3.97Å; L288-P327 HydrophobicContact CD2-CG 4.09Å; L288-Y342 HydrophobicContact CD1-CG 4.03Å
289R91Very high92.7Very high37 Ų3739.8 Ų39.814%0.1421%0.213CC..EExtended strand (participates in β ladder)trans-131.2129.3177.1-176.5174.4-177.4-175.5-6.6109.4N244 I246 H254 V294N244-R289 WeakPolarHBondContact OD1-CB 3.35Å; N244-R289 WeakPolarHBondContact OD1-CD 3.34Å; I246-R289 VanDerWaalsContact CD1-NH2 3.28Å; H254-R289 VanDerWaalsContact CG-NH1 3.34Å; H254-R289 VanDerWaalsContact ND1-CZ 3.35Å; H254-R289 PolarHBondContact ND1-NH1 2.89Å; H254-R289 PolarHBondContact ND1-NH2 3.47Å; H254-R289 PolarHBondContact O-NH1 2.81Å; R289-V294 HydrophobicContact CG-CG2 4.19Å
290T84.9Confident92.8Very high13 Ų1335.3 Ų35.38%0.0819%0.194CC..  trans-106.5176.1171.681.60000109.4K292 A293 I295 I340T290-K292 PolarHBondContact O-N 2.95Å; T290-K292 PolarHBondContact OG1-N 3.18Å; T290-A293 PolarHBondContact N-O 3.33Å; T290-A293 PolarHBondContact OG1-N 3.26Å; T290-A293 PolarHBondContact OG1-O 3.48Å; T290-I295 HydrophobicContact CG2-CD1 4.1Å; T290-I340 HydrophobicContact CG2-CB 3.76Å; T290-I340 HydrophobicContact CG2-CD1 4.02Å; T290-I340 HydrophobicContact CG2-CG1 4.09Å
291E81.9Confident93Very high140 Ų14036.9 Ų36.965%0.65420%0.201SC*.SBendtrans-67-18.8174.7-63.4-172.6168.500113L308E291-L308 VanDerWaalsContact O-CD1 3.32Å; E291-L308 WeakPolarHBondContact O-CD1 3.31Å
292K84.4Confident93.3Very high124 Ų12433.3 Ų33.354%0.53916%0.163SC..SBendtrans-113.5-27.7-175.1-63.2178.3-175.8166.10113.3T290 N337T290-K292 PolarHBondContact O-N 2.95Å; T290-K292 PolarHBondContact OG1-N 3.18Å; K292-N337 PolarHBondContact NZ-O 3.01Å
293A90.7Very high93.3Very high4 Ų432.1 Ų32.13%0.03316%0.155CC..EExtended strand (participates in β ladder)trans-148.5158.7-169.700000113T290 F306 I313T290-A293 PolarHBondContact N-O 3.33Å; T290-A293 PolarHBondContact OG1-N 3.26Å; T290-A293 PolarHBondContact OG1-O 3.48Å; A293-F306 CarbonylContact C-O 3.47Å; A293-F306 WeakPolarHBondContact CA-O 3.43Å; A293-F306 WeakPolarHBondContact CB-O 3.43Å; A293-I313 HydrophobicContact CB-CD1 4.26Å
294V94.3Very high93.2Very high0 Ų030.2 Ų30.20%015%0.145CC..EExtended strand (participates in β ladder)trans-107.8124.9168.8179.70000107.9L256 Y277 L287 R289 V296 G305 F306 L308L256-V294 HydrophobicContact CD1-CB 4.38Å; L256-V294 HydrophobicContact CD1-CG1 3.93Å; L256-V294 HydrophobicContact CD1-CG2 3.48Å; L256-V294 VanDerWaalsContact CD1-CG2 3.48Å; Y277-V294 HydrophobicContact CE1-CB 4.34Å; Y277-V294 HydrophobicContact CE1-CG1 4.43Å; Y277-V294 HydrophobicContact CE1-CG2 4.15Å; Y277-V294 VanDerWaalsContact OH-CG2 3.27Å; Y277-V294 WeakPolarHBondContact OH-CG2 3.42Å; L287-V294 HydrophobicContact CD1-CG1 3.53Å; R289-V294 HydrophobicContact CG-CG2 4.19Å; V294-V296 HydrophobicContact CG1-CG2 4.08Å; V294-G305 CarbonylContact O-C 3.58Å; V294-G305 WeakPolarHBondContact O-CA 3.33Å; V294-F306 HydrophobicContact CB-CB 4.46Å; V294-F306 PolarHBondContact N-O 2.91Å; V294-F306 PolarHBondContact O-N 2.89Å; V294-L308 HydrophobicContact CG2-CD2 4.3Å
295I94.6Very high93Very high1 Ų130 Ų301%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-113130.1-176.3-58173.7000108.6L288 T290 V303 K304 W314 I325 Y342L288-I295 HydrophobicContact CB-CB 4.33Å; L288-I295 PolarHBondContact N-O 3.19Å; L288-I295 PolarHBondContact O-N 2.87Å; L288-I295 VanDerWaalsContact O-O 3.11Å; T290-I295 HydrophobicContact CG2-CD1 4.1Å; I295-V303 HydrophobicContact CG2-CG1 3.63Å; I295-K304 WeakPolarHBondContact CA-O 3.37Å; I295-W314 HydrophobicContact CD1-CH2 4.42Å; I295-W314 HydrophobicContact CD1-CZ2 4.2Å; I295-W314 HydrophobicContact CG1-CH2 4.19Å; I295-W314 HydrophobicContact CG1-CZ2 4.02Å; I295-W314 HydrophobicContact CG2-CH2 3.97Å; I295-I325 HydrophobicContact CG2-CD1 4.36Å; I295-Y342 HydrophobicContact CD1-CD1 3.83Å; I295-Y342 HydrophobicContact CD1-CE1 3.69Å; I295-Y342 HydrophobicContact CG2-CE1 4.24Å; I295-Y342 HydrophobicContact CG2-CE2 4.41Å
296V95.7Very high92.9Very high0 Ų029.1 Ų29.10%014%0.139CC..EExtended strand (participates in β ladder)trans-133.3124.4-172.3-171.50000109.5I264 T280 I284 L287 V294 V303 K304 F306I264-V296 HydrophobicContact CD1-CB 4.5Å; I264-V296 HydrophobicContact CD1-CG1 4.27Å; I264-V296 HydrophobicContact CD1-CG2 3.51Å; T280-V296 HydrophobicContact CG2-CG1 4.32Å; I284-V296 HydrophobicContact CB-CG1 4.27Å; I284-V296 HydrophobicContact CD1-CG1 4.32Å; I284-V296 HydrophobicContact CG1-CG1 3.91Å; I284-V296 HydrophobicContact CG2-CG1 3.46Å; I284-V296 VanDerWaalsContact CG2-CG1 3.46Å; L287-V296 HydrophobicContact CD1-CG2 4.12Å; V294-V296 HydrophobicContact CG1-CG2 4.08Å; V296-V303 CarbonylContact O-C 3.52Å; V296-V303 WeakPolarHBondContact O-CA 3.5Å; V296-K304 PolarHBondContact N-O 3Å; V296-K304 PolarHBondContact O-N 3.5Å; V296-F306 HydrophobicContact CB-CE2 4.42Å; V296-F306 HydrophobicContact CG2-CD2 4.13Å; V296-F306 HydrophobicContact CG2-CE2 4.09Å
297A96.3Very high92.7Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-94.1136.6171.200000110.2I285 G286 V303 I322 I325I285-A297 HydrophobicContact CB-CB 4.43Å; I285-A297 PolarHBondContact N-O 2.92Å; G286-A297 PolarHBondContact O-N 3.3Å; G286-A297 VanDerWaalsContact O-N 3.13Å; A297-V303 HydrophobicContact CB-CG2 4.44Å; A297-I322 HydrophobicContact CB-CD1 4.25Å; A297-I322 HydrophobicContact CB-CG2 4.1Å; A297-I325 HydrophobicContact CB-CB 4.09Å; A297-I325 HydrophobicContact CB-CD1 4.04Å; A297-I325 HydrophobicContact CB-CG2 3.89Å
298C96.8Very high92.5Very high0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-124.3152.4-173.5-640000111.9Q283 D300 Q301 T302Q283-C298 CarbonylContact O-C 3.5Å; Q283-C298 VanDerWaalsContact O-CA 3.3Å; Q283-C298 WeakPolarHBondContact O-CA 3.36Å; C298-D300 WeakPolarHBondContact CB-OD1 3.5Å; C298-D300 PolarHBondContact O-N 3.4Å; C298-Q301 PolarHBondContact O-N 2.9Å; C298-T302 PolarHBondContact N-O 3.49Å
299M96Very high92.4Very high127 Ų12737.6 Ų37.663%0.62618%0.18SC*.THydrogen-bonded Turntrans-62-22.6177.9-89.3-170.5167.200113.7Q283 I285 Q301Q283-M299 HydrophobicContact CB-CB 4.23Å; Q283-M299 HydrophobicContact CB-CG 4.15Å; Q283-M299 HydrophobicContact CB-SD 3.86Å; Q283-M299 HydrophobicContact CG-SD 4.06Å; Q283-M299 PolarHBondContact O-N 3.45Å; I285-M299 HydrophobicContact CD1-CB 4.45Å; I285-M299 HydrophobicContact CD1-CG 4Å; I285-M299 HydrophobicContact CG1-CG 3.9Å; M299-Q301 PolarHBondContact O-N 3.15Å
300D94.6Very high92.3Very high50 Ų5036.5 Ų36.527%0.26718%0.18SC..THydrogen-bonded Turntrans-71.515173.767.8-1.9000114.1S282 C298 T302 K304 R317S282-D300 WeakPolarHBondContact CB-OD2 3.27Å; S282-D300 WeakPolarHBondContact OG-CB 3.35Å; S282-D300 PolarHBondContact OG-N 2.74Å; S282-D300 VanDerWaalsContact OG-N 3.13Å; C298-D300 WeakPolarHBondContact CB-OD1 3.5Å; C298-D300 PolarHBondContact O-N 3.4Å; D300-T302 VanDerWaalsContact CG-OG1 3.23Å; D300-T302 PolarHBondContact O-N 3Å; D300-T302 VanDerWaalsContact OD1-CB 3.31Å; D300-T302 WeakPolarHBondContact OD1-CB 3.12Å; D300-T302 WeakPolarHBondContact OD1-CG2 3.33Å; D300-T302 PolarHBondContact OD1-N 3.44Å; D300-T302 PolarHBondContact OD1-OG1 2.84Å; D300-T302 PolarHBondContact OD2-OG1 3.41Å; D300-K304 IonicContact OD1-NZ 3.58Å; D300-K304 IonicContact OD2-NZ 2.85Å; D300-K304 PolarHBondContact OD2-NZ 3.01Å; D300-K304 VanDerWaalsContact OD2-NZ 3.1Å; D300-R317 VanDerWaalsContact O-CZ 3.31Å; D300-R317 PolarHBondContact O-NH1 3.39Å; D300-R317 PolarHBondContact O-NH2 3.08Å
301Q95.1Very high92.7Very high43 Ų4344.8 Ų44.820%0.20121%0.21CC..SBendtrans67.217.5-177.6-47174.9-31.300113.5C298 M299 R317 H318 E321C298-Q301 PolarHBondContact O-N 2.9Å; M299-Q301 PolarHBondContact O-N 3.15Å; Q301-R317 WeakPolarHBondContact O-CA 3.14Å; Q301-H318 PolarHBondContact O-N 3.03Å; Q301-E321 HydrophobicContact CG-CG 4.31Å
302T94.1Very high93.2Very high6 Ų641.8 Ų41.84%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-107.5146.1-179.972.40000112.9C298 D300 K304 R315 V316 R317C298-T302 PolarHBondContact N-O 3.49Å; D300-T302 VanDerWaalsContact CG-OG1 3.23Å; D300-T302 PolarHBondContact O-N 3Å; D300-T302 VanDerWaalsContact OD1-CB 3.31Å; D300-T302 WeakPolarHBondContact OD1-CB 3.12Å; D300-T302 WeakPolarHBondContact OD1-CG2 3.33Å; D300-T302 PolarHBondContact OD1-N 3.44Å; D300-T302 PolarHBondContact OD1-OG1 2.84Å; D300-T302 PolarHBondContact OD2-OG1 3.41Å; T302-K304 WeakPolarHBondContact OG1-CE 3.18Å; T302-K304 PolarHBondContact OG1-NZ 3.04Å; T302-R315 HydrophobicContact CG2-CG 4.43Å; T302-V316 CarbonylContact C-O 3.59Å; T302-V316 WeakPolarHBondContact CA-O 3.46Å; T302-V316 WeakPolarHBondContact CB-O 3.42Å; T302-R317 HydrophobicContact CG2-CB 4.26Å; T302-R317 HydrophobicContact CG2-CG 4.26Å
303V94.7Very high93.4Very high0 Ų039.9 Ų39.90%020%0.198CC..EExtended strand (participates in β ladder)trans-113.1128.6166.4-1760000107.3I295 V296 A297 W314 R315 V316 H318 I322 Y342 I344I295-V303 HydrophobicContact CG2-CG1 3.63Å; V296-V303 CarbonylContact O-C 3.52Å; V296-V303 WeakPolarHBondContact O-CA 3.5Å; A297-V303 HydrophobicContact CB-CG2 4.44Å; V303-W314 HydrophobicContact CB-CZ3 4.36Å; V303-W314 HydrophobicContact CG1-CH2 4.01Å; V303-W314 HydrophobicContact CG1-CZ3 3.83Å; V303-R315 CarbonylContact O-C 3.54Å; V303-R315 WeakPolarHBondContact O-CA 3.45Å; V303-V316 PolarHBondContact N-O 2.71Å; V303-V316 PolarHBondContact O-N 3.27Å; V303-H318 WeakPolarHBondContact CG2-NE2 3.38Å; V303-I322 HydrophobicContact CG2-CD1 3.67Å; V303-Y342 HydrophobicContact CG1-CE2 4.26Å; V303-I344 HydrophobicContact CG2-CD1 3.44Å; V303-I344 VanDerWaalsContact CG2-CD1 3.44Å
304K93.4Very high93.5Very high18 Ų1840.3 Ų40.38%0.07820%0.198CC..EExtended strand (participates in β ladder)trans-120.1130.4-174.5-64.9165.3-179.4143.90108.6T280 I295 V296 D300 T302 F306 R315T280-K304 PolarHBondContact O-NZ 3.01Å; I295-K304 WeakPolarHBondContact CA-O 3.37Å; V296-K304 PolarHBondContact N-O 3Å; V296-K304 PolarHBondContact O-N 3.5Å; D300-K304 IonicContact OD1-NZ 3.58Å; D300-K304 IonicContact OD2-NZ 2.85Å; D300-K304 PolarHBondContact OD2-NZ 3.01Å; D300-K304 VanDerWaalsContact OD2-NZ 3.1Å; T302-K304 WeakPolarHBondContact OG1-CE 3.18Å; T302-K304 PolarHBondContact OG1-NZ 3.04Å; K304-F306 HydrophobicContact CB-CD2 4.37Å; K304-F306 HydrophobicContact CB-CE2 3.46Å; K304-F306 VanDerWaalsContact CB-CE2 3.46Å; K304-F306 HydrophobicContact CB-CZ 3.67Å; K304-F306 HydrophobicContact CD-CZ 4.17Å; K304-F306 HydrophobicContact CG-CZ 4.42Å; K304-R315 HydrophobicContact CG-CB 4.31Å; K304-R315 HydrophobicContact CG-CG 4.02Å
305G92.7Very high93.3Very high0 Ų044.9 Ų44.90%022%0.216CC..EExtended strand (participates in β ladder)trans-104.5129.9172.400000110.5V294 I313 W314V294-G305 CarbonylContact O-C 3.58Å; V294-G305 WeakPolarHBondContact O-CA 3.33Å; G305-I313 PolarHBondContact O-N 2.84Å; G305-W314 PolarHBondContact N-O 3.35Å; G305-W314 PolarHBondContact O-N 3.22Å
306F94Very high93.1Very high12 Ų1245 Ų455%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-120.7148.9178.1-58.1-84.9000110.4V278 A293 V294 V296 K304 R311 P312V278-F306 HydrophobicContact CB-CE1 4.49Å; V278-F306 HydrophobicContact CG1-CD1 3.84Å; V278-F306 HydrophobicContact CG1-CD2 4.42Å; V278-F306 HydrophobicContact CG1-CE1 3.39Å; V278-F306 HydrophobicContact CG1-CE2 4Å; V278-F306 HydrophobicContact CG1-CG 4.35Å; V278-F306 HydrophobicContact CG1-CZ 3.48Å; V278-F306 VanDerWaalsContact CG1-CZ 3.48Å; V278-F306 HydrophobicContact CG2-CD1 3.83Å; V278-F306 HydrophobicContact CG2-CE1 4.25Å; V278-F306 HydrophobicContact CG2-CG 4.1Å; A293-F306 CarbonylContact C-O 3.47Å; A293-F306 WeakPolarHBondContact CA-O 3.43Å; A293-F306 WeakPolarHBondContact CB-O 3.43Å; V294-F306 HydrophobicContact CB-CB 4.46Å; V294-F306 PolarHBondContact N-O 2.91Å; V294-F306 PolarHBondContact O-N 2.89Å; V296-F306 HydrophobicContact CB-CE2 4.42Å; V296-F306 HydrophobicContact CG2-CD2 4.13Å; V296-F306 HydrophobicContact CG2-CE2 4.09Å; K304-F306 HydrophobicContact CB-CD2 4.37Å; K304-F306 HydrophobicContact CB-CE2 3.46Å; K304-F306 VanDerWaalsContact CB-CE2 3.46Å; K304-F306 HydrophobicContact CB-CZ 3.67Å; K304-F306 HydrophobicContact CD-CZ 4.17Å; K304-F306 HydrophobicContact CG-CZ 4.42Å; F306-R311 CarbonylContact C-O 3.45Å; F306-R311 VanDerWaalsContact CA-O 3.24Å; F306-R311 WeakPolarHBondContact CA-O 3.47Å; F306-P312 HydrophobicContact CD1-CB 4.05Å; F306-P312 HydrophobicContact CE1-CB 3.97Å
307S92.7Very high92.9Very high17 Ų1751.8 Ų51.812%0.11924%0.242CC..EExtended strand (participates in β ladder)trans-66.7162.4169.384.20000109.8Y277 E309 G310 R311Y277-S307 PolarHBondContact OH-O 2.9Å; S307-E309 VanDerWaalsContact CB-OE2 3.27Å; S307-E309 WeakPolarHBondContact CB-OE2 3.48Å; S307-E309 PolarHBondContact O-N 2.82Å; S307-E309 VanDerWaalsContact O-N 3.09Å; S307-E309 PolarHBondContact OG-N 2.76Å; S307-E309 PolarHBondContact OG-OE2 2.83Å; S307-G310 PolarHBondContact O-N 2.84Å; S307-R311 PolarHBondContact N-O 2.91Å; S307-R311 WeakPolarHBondContact OG-CB 3.25Å; S307-R311 PolarHBondContact OG-N 2.97Å
308L90.9Very high92.6Very high54 Ų5452.2 Ų52.228%0.28324%0.244SC..THydrogen-bonded Turntrans-59.5-21.6177.2-67.6-173.9000113.7Y277 E291 V294Y277-L308 WeakPolarHBondContact CE2-O 3.19Å; Y277-L308 WeakPolarHBondContact OH-CA 3.34Å; Y277-L308 PolarHBondContact OH-O 2.83Å; E291-L308 VanDerWaalsContact O-CD1 3.32Å; E291-L308 WeakPolarHBondContact O-CD1 3.31Å; V294-L308 HydrophobicContact CG2-CD2 4.3Å
309E90.7Very high92.1Very high144 Ų14456.7 Ų56.767%0.67328%0.275SS*.THydrogen-bonded Turntrans-87.30.1174.4-50.874.7-160.900113.8S307S307-E309 VanDerWaalsContact CB-OE2 3.27Å; S307-E309 WeakPolarHBondContact CB-OE2 3.48Å; S307-E309 PolarHBondContact O-N 2.82Å; S307-E309 VanDerWaalsContact O-N 3.09Å; S307-E309 PolarHBondContact OG-N 2.76Å; S307-E309 PolarHBondContact OG-OE2 2.83Å
310G90.3Very high91.9Very high13 Ų1352.1 Ų52.113%0.13426%0.255CS..SBendtrans89.71217900000115Y277 V278 S307Y277-G310 PolarHBondContact OH-N 2.66Å; V278-G310 VanDerWaalsContact CG2-O 3.27Å; V278-G310 WeakPolarHBondContact CG2-O 3.48Å; S307-G310 PolarHBondContact O-N 2.84Å
311R92.5Very high91.9Very high188 Ų18855 Ų5571%0.70927%0.267SS*.  trans-80133.1176.6-63.4-177.5177.4179.80.2110.6F306 S307 I313F306-R311 CarbonylContact C-O 3.45Å; F306-R311 VanDerWaalsContact CA-O 3.24Å; F306-R311 WeakPolarHBondContact CA-O 3.47Å; S307-R311 PolarHBondContact N-O 2.91Å; S307-R311 WeakPolarHBondContact OG-CB 3.25Å; S307-R311 PolarHBondContact OG-N 2.97Å; R311-I313 PolarHBondContact O-N 2.69Å
312P91.7Very high92Very high77 Ų7753.3 Ų53.350%0.526%0.26SS..EExtended strand (participates in β ladder)trans-66127.3176.427.2-33.5000110.8F306 I466F306-P312 HydrophobicContact CD1-CB 4.05Å; F306-P312 HydrophobicContact CE1-CB 3.97Å; P312-I466 HydrophobicContact CB-CD1 3.76Å; P312-I466 HydrophobicContact CB-CG2 4.44Å; P312-I466 HydrophobicContact CG-CG2 4.48Å
313I90.5Very high92.1Very high84 Ų8455.9 Ų55.943%0.43127%0.273SS..EExtended strand (participates in β ladder)trans-99.4-54.2177.9-53.7174.6000109.4A293 G305 R311A293-I313 HydrophobicContact CB-CD1 4.26Å; G305-I313 PolarHBondContact O-N 2.84Å; R311-I313 PolarHBondContact O-N 2.69Å
314W91Very high92.2Very high13 Ų1356.5 Ų56.55%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-151.3160.7-174.651.5-106.3000111.8I295 V303 G305 V316 D356 Q357I295-W314 HydrophobicContact CD1-CH2 4.42Å; I295-W314 HydrophobicContact CD1-CZ2 4.2Å; I295-W314 HydrophobicContact CG1-CH2 4.19Å; I295-W314 HydrophobicContact CG1-CZ2 4.02Å; I295-W314 HydrophobicContact CG2-CH2 3.97Å; V303-W314 HydrophobicContact CB-CZ3 4.36Å; V303-W314 HydrophobicContact CG1-CH2 4.01Å; V303-W314 HydrophobicContact CG1-CZ3 3.83Å; G305-W314 PolarHBondContact N-O 3.35Å; G305-W314 PolarHBondContact O-N 3.22Å; W314-V316 HydrophobicContact CE3-CG2 4.23Å; W314-V316 HydrophobicContact CZ3-CG2 4.47Å; W314-D356 VanDerWaalsContact CH2-O 3.32Å; W314-D356 WeakPolarHBondContact CH2-O 3.33Å; W314-D356 VanDerWaalsContact CZ2-C 3.44Å; W314-D356 HydrophobicContact CZ2-CB 4.31Å; W314-Q357 HydrophobicContact CB-CB 4.45Å; W314-Q357 HydrophobicContact CD2-CB 3.8Å; W314-Q357 HydrophobicContact CE3-CB 3.96Å; W314-Q357 HydrophobicContact CG-CB 4.01Å; W314-Q357 HydrophobicContact CZ3-CB 4.47Å
315R90.5Very high92.3Very high96 Ų9656.4 Ų56.436%0.36228%0.276SS..EExtended strand (participates in β ladder)trans-143.8132.4174.3173.6-175.164-175.8-4.8109.2T302 V303 K304 I466T302-R315 HydrophobicContact CG2-CG 4.43Å; V303-R315 CarbonylContact O-C 3.54Å; V303-R315 WeakPolarHBondContact O-CA 3.45Å; K304-R315 HydrophobicContact CG-CB 4.31Å; K304-R315 HydrophobicContact CG-CG 4.02Å; R315-I466 HydrophobicContact CB-CD1 3.81Å; R315-I466 HydrophobicContact CB-CG1 4.02Å
316V90.7Very high92.4Very high3 Ų356.6 Ų56.62%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-119.1140177.4171.50000108.6T302 V303 W314 Q357 I461T302-V316 CarbonylContact C-O 3.59Å; T302-V316 WeakPolarHBondContact CA-O 3.46Å; T302-V316 WeakPolarHBondContact CB-O 3.42Å; V303-V316 PolarHBondContact N-O 2.71Å; V303-V316 PolarHBondContact O-N 3.27Å; W314-V316 HydrophobicContact CE3-CG2 4.23Å; W314-V316 HydrophobicContact CZ3-CG2 4.47Å; V316-Q357 HydrophobicContact CG2-CB 3.91Å; V316-I461 HydrophobicContact CG1-CB 3.54Å; V316-I461 HydrophobicContact CG1-CD1 3.76Å; V316-I461 HydrophobicContact CG1-CG1 4.17Å; V316-I461 HydrophobicContact CG1-CG2 3.51Å; V316-I461 HydrophobicContact CG2-CB 4.36Å
317R91.5Very high92.4Very high142 Ų14259 Ų5954%0.53630%0.295SS..EExtended strand (participates in β ladder)trans-112.3132.4172.9-173.7179.6-175.181.49.6109.2D300 Q301 T302D300-R317 VanDerWaalsContact O-CZ 3.31Å; D300-R317 PolarHBondContact O-NH1 3.39Å; D300-R317 PolarHBondContact O-NH2 3.08Å; Q301-R317 WeakPolarHBondContact O-CA 3.14Å; T302-R317 HydrophobicContact CG2-CB 4.26Å; T302-R317 HydrophobicContact CG2-CG 4.26Å
318H91.1Very high92.3Very high10 Ų1058.2 Ų58.25%0.04629%0.289CS..  trans-92.7160.1177.8-63.8-102.4000110.9Q301 V303 C320 L346 Y354Q301-H318 PolarHBondContact O-N 3.03Å; V303-H318 WeakPolarHBondContact CG2-NE2 3.38Å; H318-C320 VanDerWaalsContact C-N 3.27Å; H318-C320 PolarHBondContact O-N 2.9Å; H318-L346 HydrophobicContact CB-CD1 4.4Å; H318-L346 HydrophobicContact CB-CD2 4.15Å; H318-Y354 AromaticContact CE1-CE2 3.71Å; H318-Y354 AromaticContact CE1-CZ 3.41Å; H318-Y354 VanDerWaalsContact CE1-CZ 3.41Å; H318-Y354 PolarHBondContact CE1-OH 3.32Å; H318-Y354 PolarHBondContact ND1-OH 3.23Å
319S86Confident92Very high94 Ų9460.7 Ų60.766%0.65730%0.303SS*.SBendtrans-68.5-26.7178.949.50000113.3
320C91.4Very high91.5Very high31 Ų3154.5 Ų54.521%0.20927%0.274CS..SBendtrans-134.8173.2-173.8-60.20000110.8H318 L346 D348H318-C320 VanDerWaalsContact C-N 3.27Å; H318-C320 PolarHBondContact O-N 2.9Å; C320-L346 HydrophobicContact CB-CB 4.35Å; C320-D348 HydrophobicContact CB-CB 4.44Å
321E95Very high90.6Very high110 Ų11060.8 Ų60.851%0.51431%0.305SS..  trans-67.7137.4178.7-59.5174.5152.200111.1Q301 L346 S347Q301-E321 HydrophobicContact CG-CG 4.31Å; E321-L346 CarbonylContact O-C 3.59Å; E321-L346 VanDerWaalsContact O-CA 3.27Å; E321-L346 WeakPolarHBondContact O-CA 3.46Å; E321-S347 PolarHBondContact N-OG 3.06Å; E321-S347 PolarHBondContact O-N 3.04Å
322I97Very high89.3Confident8 Ų852.9 Ų52.94%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-82.5129.3173.9-59.6164.5000106.8I285 A297 V303 I344 L346I285-I322 HydrophobicContact CD1-CB 3.95Å; I285-I322 HydrophobicContact CD1-CG2 4.24Å; I285-I322 WeakPolarHBondContact CD1-O 3.44Å; I285-I322 HydrophobicContact CG2-CG2 4.49Å; A297-I322 HydrophobicContact CB-CD1 4.25Å; A297-I322 HydrophobicContact CB-CG2 4.1Å; V303-I322 HydrophobicContact CG2-CD1 3.67Å; I322-I344 HydrophobicContact CG1-CG2 4.21Å; I322-I344 HydrophobicContact CG2-CG2 4.08Å; I322-L346 HydrophobicContact CB-CD2 4.39Å; I322-L346 HydrophobicContact CG1-CD2 3.76Å
323L96.6Very high87.9Confident60 Ų6055.1 Ų55.131%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-99-44178.5-63-177.6000111.7I285 C345 P419 I420I285-L323 WeakPolarHBondContact CG2-O 3.36Å; L323-C345 PolarHBondContact N-O 2.96Å; L323-P419 HydrophobicContact CD1-CB 3.6Å; L323-P419 HydrophobicContact CD1-CG 4.26Å; L323-I420 WeakPolarHBondContact CD1-O 3.21Å
324T96.3Very high86.3Confident13 Ų1356.3 Ų56.38%0.0830%0.303CS..EExtended strand (participates in β ladder)trans-151.2152.2177.3-1790000110.4S22 C345S22-T324 PolarHBondContact OG-OG1 2.98Å; T324-C345 HydrophobicContact CG2-CB 3.67Å; T324-C345 PolarHBondContact O-N 2.91Å
325I96.1Very high84.5Confident15 Ų1556.8 Ų56.88%0.07731%0.306CS..EExtended strand (participates in β ladder)trans-123.5137.7170.8-173.9171.7000108.8L288 I295 A297 Y342 I343 I344L288-I325 HydrophobicContact CD1-CD1 3.7Å; L288-I325 HydrophobicContact CD1-CG1 3.68Å; L288-I325 HydrophobicContact CG-CD1 4.13Å; L288-I325 HydrophobicContact CG-CG1 4.2Å; I295-I325 HydrophobicContact CG2-CD1 4.36Å; A297-I325 HydrophobicContact CB-CB 4.09Å; A297-I325 HydrophobicContact CB-CD1 4.04Å; A297-I325 HydrophobicContact CB-CG2 3.89Å; I325-Y342 HydrophobicContact CD1-CD2 3.67Å; I325-Y342 HydrophobicContact CD1-CE2 4.15Å; I325-Y342 HydrophobicContact CD1-CG 4.37Å; I325-Y342 HydrophobicContact CG1-CD2 4.06Å; I325-I343 CarbonylContact C-O 3.5Å; I325-I343 VanDerWaalsContact CA-O 3.27Å; I325-I343 WeakPolarHBondContact CA-O 3.26Å; I325-I344 HydrophobicContact CD1-CG1 4.45Å; I325-I344 HydrophobicContact CG1-CG1 4.29Å
326A94.8Very high82.7Confident5 Ų562.6 Ų62.64%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-137146178.100000111.3Y342 I343 C423A326-Y342 WeakPolarHBondContact O-CA 3.16Å; A326-I343 PolarHBondContact N-O 3.22Å; A326-I343 PolarHBondContact O-N 2.87Å; A326-C423 VanDerWaalsContact CB-SG 3.52Å
327P93.2Very high81Confident62 Ų6266.5 Ų66.540%0.40335%0.349SS..EExtended strand (participates in β ladder)trans-70.7144.117429.4-30.5000110.5L288L288-P327 HydrophobicContact CD2-CB 3.97Å; L288-P327 HydrophobicContact CD2-CG 4.09Å
328M90.9Very high79.4Confident0 Ų065.8 Ų65.80%035%0.351CS..EExtended strand (participates in β ladder)trans-123.189.9172.1178.6177.5176.300108.8W7 F330 Y341 I343 I353 F425 V449 F455W7-M328 HydrophobicContact CH2-CE 3.87Å; W7-M328 HydrophobicContact CZ2-CE 3.97Å; M328-F330 VanDerWaalsContact C-N 3.27Å; M328-F330 HydrophobicContact CE-CB 3.97Å; M328-F330 HydrophobicContact CE-CD2 4.16Å; M328-F330 HydrophobicContact CE-CG 4.07Å; M328-F330 HydrophobicContact CG-CB 4.11Å; M328-F330 PolarHBondContact O-N 2.9Å; M328-Y341 CarbonylContact C-O 3.48Å; M328-Y341 WeakPolarHBondContact CA-O 3.27Å; M328-Y341 WeakPolarHBondContact CB-O 3.3Å; M328-Y341 PolarHBondContact N-O 2.93Å; M328-Y341 PolarHBondContact O-N 2.87Å; M328-I343 HydrophobicContact CB-CD1 4.01Å; M328-I343 HydrophobicContact CB-CG1 3.94Å; M328-I343 HydrophobicContact CG-CD1 4.37Å; M328-I343 HydrophobicContact SD-CD1 4.17Å; M328-I343 HydrophobicContact SD-CG1 4.14Å; M328-I353 HydrophobicContact CE-CD1 4.38Å; M328-I353 HydrophobicContact SD-CD1 3.96Å; M328-I353 HydrophobicContact SD-CG1 4.47Å; M328-I353 HydrophobicContact SD-CG2 3.75Å; M328-F425 HydrophobicContact CB-CD1 4.15Å; M328-F425 HydrophobicContact CB-CG 4.23Å; M328-F425 HydrophobicContact CE-CE2 3.79Å; M328-F425 HydrophobicContact CE-CZ 3.83Å; M328-F425 HydrophobicContact CG-CD1 3.75Å; M328-F425 HydrophobicContact CG-CD2 3.97Å; M328-F425 HydrophobicContact CG-CE1 3.67Å; M328-F425 HydrophobicContact CG-CE2 3.91Å; M328-F425 HydrophobicContact CG-CG 3.9Å; M328-F425 HydrophobicContact CG-CZ 3.74Å; M328-F425 HydrophobicContact SD-CE2 4.29Å; M328-V449 HydrophobicContact CE-CG2 4.12Å; M328-F455 HydrophobicContact CE-CD2 4.02Å; M328-F455 HydrophobicContact CE-CE2 3.5Å; M328-F455 VanDerWaalsContact CE-CE2 3.5Å; M328-F455 HydrophobicContact CE-CZ 3.99Å
329N83.8Confident78.3Confident107 Ų10767.9 Ų67.957%0.57236%0.361SS*.  trans-74.182.6176.2-66.8-21.1000109.7
330F81.5Confident77.7Confident13 Ų1365.3 Ų65.36%0.05734%0.34CS..  trans-109.7113.8-178-175.7-104.2000111.4M328 S332 N335 Y341 F425 N433 V449 F455M328-F330 VanDerWaalsContact C-N 3.27Å; M328-F330 HydrophobicContact CE-CB 3.97Å; M328-F330 HydrophobicContact CE-CD2 4.16Å; M328-F330 HydrophobicContact CE-CG 4.07Å; M328-F330 HydrophobicContact CG-CB 4.11Å; M328-F330 PolarHBondContact O-N 2.9Å; F330-S332 PolarHBondContact O-N 3.15Å; F330-N335 PolarHBondContact O-ND2 3.34Å; F330-Y341 HydrophobicContact CB-CD2 4.11Å; F330-Y341 HydrophobicContact CD1-CE2 4.34Å; F330-F425 HydrophobicContact CD2-CZ 4.42Å; F330-N433 HydrophobicContact CD2-CB 4.27Å; F330-N433 HydrophobicContact CE2-CB 4.34Å; F330-N433 VanDerWaalsContact CE2-ND2 3.34Å; F330-N433 WeakPolarHBondContact CE2-ND2 3.3Å; F330-V449 HydrophobicContact CE2-CB 4.25Å; F330-V449 HydrophobicContact CE2-CG1 3.62Å; F330-V449 HydrophobicContact CE2-CG2 4.4Å; F330-V449 HydrophobicContact CZ-CG1 3.97Å; F330-F455 AromaticContact CD1-CD2 3.73Å; F330-F455 HydrophobicContact CD1-CD2 3.73Å; F330-F455 HydrophobicContact CD1-CE2 4.22Å; F330-F455 HydrophobicContact CD2-CE2 4.46Å; F330-F455 AromaticContact CE1-CD2 3.57Å; F330-F455 HydrophobicContact CE1-CD2 3.57Å; F330-F455 AromaticContact CE1-CE2 3.97Å; F330-F455 HydrophobicContact CE1-CE2 3.97Å; F330-F455 HydrophobicContact CE2-CE2 4.25Å; F330-F455 HydrophobicContact CG-CD2 4.32Å; F330-F455 HydrophobicContact CG-CE2 4.45Å; F330-F455 HydrophobicContact CZ-CD2 4.07Å; F330-F455 AromaticContact CZ-CE2 3.99Å; F330-F455 HydrophobicContact CZ-CE2 3.99Å
331N71.4Confident77.6Confident146 Ų14664.3 Ų64.378%0.78133%0.331SS*.  trans-87.8102.6173.8-66.1-12.6000109.1
332S64.8Low77.5Confident22 Ų2259.1 Ų59.115%0.15431%0.307CS..  trans-93.4150.4169-1760000110.2F330 N334 N335F330-S332 PolarHBondContact O-N 3.15Å; S332-N334 PolarHBondContact O-N 2.97Å; S332-N334 VanDerWaalsContact O-N 3.12Å; S332-N334 PolarHBondContact OG-N 2.82Å; S332-N335 WeakPolarHBondContact O-CB 3.4Å; S332-N335 PolarHBondContact O-N 3.38Å
333S60.9Low77.5Confident123 Ų12358.8 Ų58.886%0.8631%0.305SS*.THydrogen-bonded Turntrans-57.3-24.7170.7-56.70000113
334N57.1Low77.5Confident109 Ų10955.9 Ų55.958%0.58329%0.29SS*.THydrogen-bonded Turntrans-89.1-8175.2-76.6-5.5000113.9S332 R336 N454S332-N334 PolarHBondContact O-N 2.97Å; S332-N334 VanDerWaalsContact O-N 3.12Å; S332-N334 PolarHBondContact OG-N 2.82Å; N334-R336 PolarHBondContact O-N 3.18Å; N334-N454 PolarHBondContact ND2-ND2 2.91Å
335N54.7Low77.5Confident23 Ų2355.3 Ų55.312%0.12329%0.287CS..  trans-7964.2-178.6-162-5.6000110.4F330 S332 N337 H338 E339F330-N335 PolarHBondContact O-ND2 3.34Å; S332-N335 WeakPolarHBondContact O-CB 3.4Å; S332-N335 PolarHBondContact O-N 3.38Å; N335-N337 PolarHBondContact O-N 3.06Å; N335-H338 PolarHBondContact OD1-N 3.04Å; N335-E339 PolarHBondContact ND2-O 2.69Å; N335-E339 PolarHBondContact OD1-N 3.07Å
336R53Low77.5Confident219 Ų21954.6 Ų54.683%0.82628%0.283SS*.THydrogen-bonded Turntrans-65.3-21.7177.2-67.1-174.1-179.6172.40.6112.1N334N334-R336 PolarHBondContact O-N 3.18Å
337N55Low77.5Confident84 Ų8456.2 Ų56.245%0.44929%0.294SS..THydrogen-bonded Turntrans-101.84.4-166.4-75.5-9.8000115K292 N335 E339K292-N337 PolarHBondContact NZ-O 3.01Å; N335-N337 PolarHBondContact O-N 3.06Å; N337-E339 HydrophobicContact CB-CG 3.79Å; N337-E339 VanDerWaalsContact CB-OE1 3.22Å; N337-E339 WeakPolarHBondContact CB-OE1 3.49Å; N337-E339 PolarHBondContact ND2-OE1 3.03Å; N337-E339 PolarHBondContact O-N 3.44Å
338H56.9Low77.4Confident128 Ų12855.7 Ų55.759%0.59329%0.288SS*.  trans52.339-173.3-6366.8000111.3N335 I340N335-H338 PolarHBondContact OD1-N 3.04Å; H338-I340 PolarHBondContact O-N 3.27Å
339E67.9Low77.3Confident54 Ų5455.8 Ų55.825%0.25229%0.289SS..PPolyproline II helixtrans-70.4125.8176-77.1162-16100108.3N335 N337N335-E339 PolarHBondContact ND2-O 2.69Å; N335-E339 PolarHBondContact OD1-N 3.07Å; N337-E339 HydrophobicContact CB-CG 3.79Å; N337-E339 VanDerWaalsContact CB-OE1 3.22Å; N337-E339 WeakPolarHBondContact CB-OE1 3.49Å; N337-E339 PolarHBondContact ND2-OE1 3.03Å; N337-E339 PolarHBondContact O-N 3.44Å
340I74Confident77.8Confident40 Ų4050.9 Ų50.921%0.20526%0.263CS..PPolyproline II helixtrans-90.1120.4177.6-59.1-173.8000107.6T290 H338T290-I340 HydrophobicContact CG2-CB 3.76Å; T290-I340 HydrophobicContact CG2-CD1 4.02Å; T290-I340 HydrophobicContact CG2-CG1 4.09Å; H338-I340 PolarHBondContact O-N 3.27Å
341Y89.1Confident78.4Confident9 Ų950.2 Ų50.24%0.03526%0.26CS..EExtended strand (participates in β ladder)trans-76.6151.2169.7-63-94.3000109.3M328 F330 I353 Y354 C355 C360 F455M328-Y341 CarbonylContact C-O 3.48Å; M328-Y341 WeakPolarHBondContact CA-O 3.27Å; M328-Y341 WeakPolarHBondContact CB-O 3.3Å; M328-Y341 PolarHBondContact N-O 2.93Å; M328-Y341 PolarHBondContact O-N 2.87Å; F330-Y341 HydrophobicContact CB-CD2 4.11Å; F330-Y341 HydrophobicContact CD1-CE2 4.34Å; Y341-I353 HydrophobicContact CD1-CG2 4.21Å; Y341-Y354 CarbonylContact C-O 3.5Å; Y341-Y354 WeakPolarHBondContact CA-O 3.21Å; Y341-C355 HydrophobicContact CD1-CB 3.83Å; Y341-C355 HydrophobicContact CE1-CB 3.8Å; Y341-C360 HydrophobicContact CD1-CB 4.37Å; Y341-C360 HydrophobicContact CE1-CB 4.22Å; Y341-F455 HydrophobicContact CD1-CB 4.26Å; Y341-F455 HydrophobicContact CE1-CB 3.65Å; Y341-F455 WeakPolarHBondContact CE1-O 3.44Å; Y341-F455 PolarHBondContact OH-O 2.8Å
342Y93.5Very high79.5Confident2 Ų244.1 Ų44.11%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-137.5152173.362.9-87000111.1L288 I295 V303 I325 A326 I344 I353 Y354 D356L288-Y342 HydrophobicContact CD1-CG 4.03Å; I295-Y342 HydrophobicContact CD1-CD1 3.83Å; I295-Y342 HydrophobicContact CD1-CE1 3.69Å; I295-Y342 HydrophobicContact CG2-CE1 4.24Å; I295-Y342 HydrophobicContact CG2-CE2 4.41Å; V303-Y342 HydrophobicContact CG1-CE2 4.26Å; I325-Y342 HydrophobicContact CD1-CD2 3.67Å; I325-Y342 HydrophobicContact CD1-CE2 4.15Å; I325-Y342 HydrophobicContact CD1-CG 4.37Å; I325-Y342 HydrophobicContact CG1-CD2 4.06Å; A326-Y342 WeakPolarHBondContact O-CA 3.16Å; Y342-I344 HydrophobicContact CD2-CD1 4.14Å; Y342-I344 HydrophobicContact CD2-CG1 3.97Å; Y342-I344 HydrophobicContact CE2-CD1 3.61Å; Y342-I344 HydrophobicContact CE2-CG1 3.97Å; Y342-I353 WeakPolarHBondContact O-CA 3.09Å; Y342-Y354 VanDerWaalsContact CE2-CB 3.44Å; Y342-Y354 HydrophobicContact CE2-CD2 4.04Å; Y342-Y354 AromaticContact CE2-CG 3.91Å; Y342-Y354 HydrophobicContact CE2-CG 3.91Å; Y342-Y354 AromaticContact CZ-CG 3.96Å; Y342-Y354 PolarHBondContact N-O 3.31Å; Y342-Y354 PolarHBondContact O-N 3.28Å; Y342-D356 VanDerWaalsContact CE1-O 3.25Å; Y342-D356 WeakPolarHBondContact CE1-O 3.39Å; Y342-D356 VanDerWaalsContact CZ-O 3.29Å; Y342-D356 PolarHBondContact OH-O 2.84Å
343I95.6Very high80.9Confident0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-108.1133.2-174.9-58.4170.2000107.8I325 A326 M328 V351 Q352 I353 F425 L435I325-I343 CarbonylContact C-O 3.5Å; I325-I343 VanDerWaalsContact CA-O 3.27Å; I325-I343 WeakPolarHBondContact CA-O 3.26Å; A326-I343 PolarHBondContact N-O 3.22Å; A326-I343 PolarHBondContact O-N 2.87Å; M328-I343 HydrophobicContact CB-CD1 4.01Å; M328-I343 HydrophobicContact CB-CG1 3.94Å; M328-I343 HydrophobicContact CG-CD1 4.37Å; M328-I343 HydrophobicContact SD-CD1 4.17Å; M328-I343 HydrophobicContact SD-CG1 4.14Å; I343-V351 HydrophobicContact CG2-CG1 3.55Å; I343-Q352 CarbonylContact C-O 3.52Å; I343-Q352 WeakPolarHBondContact CA-O 3.28Å; I343-I353 HydrophobicContact CG1-CG1 4.41Å; I343-F425 HydrophobicContact CD1-CB 4.1Å; I343-F425 HydrophobicContact CD1-CD2 4.28Å; I343-F425 HydrophobicContact CD1-CG 4.43Å; I343-L435 HydrophobicContact CD1-CD1 3.43Å; I343-L435 VanDerWaalsContact CD1-CD1 3.43Å; I343-L435 HydrophobicContact CD1-CD2 3.95Å; I343-L435 HydrophobicContact CD1-CG 4.27Å
344I96.4Very high82.4Confident0 Ų037.3 Ų37.30%018%0.179CC..EExtended strand (participates in β ladder)trans-117.3129.5172.8-69.7-176.4000108.6V303 I322 I325 Y342 L346 V351 Q352 Y354V303-I344 HydrophobicContact CG2-CD1 3.44Å; V303-I344 VanDerWaalsContact CG2-CD1 3.44Å; I322-I344 HydrophobicContact CG1-CG2 4.21Å; I322-I344 HydrophobicContact CG2-CG2 4.08Å; I325-I344 HydrophobicContact CD1-CG1 4.45Å; I325-I344 HydrophobicContact CG1-CG1 4.29Å; Y342-I344 HydrophobicContact CD2-CD1 4.14Å; Y342-I344 HydrophobicContact CD2-CG1 3.97Å; Y342-I344 HydrophobicContact CE2-CD1 3.61Å; Y342-I344 HydrophobicContact CE2-CG1 3.97Å; I344-L346 HydrophobicContact CG2-CD2 3.51Å; I344-L346 HydrophobicContact CG2-CG 3.98Å; I344-V351 WeakPolarHBondContact O-CA 3.47Å; I344-Q352 PolarHBondContact N-O 2.69Å; I344-Q352 PolarHBondContact O-N 3.22Å; I344-Y354 HydrophobicContact CB-CD2 4.25Å; I344-Y354 HydrophobicContact CB-CE2 4.04Å; I344-Y354 HydrophobicContact CD1-CD2 3.93Å; I344-Y354 HydrophobicContact CD1-CE2 3.95Å; I344-Y354 HydrophobicContact CG1-CD2 4.09Å; I344-Y354 HydrophobicContact CG1-CE2 4.25Å
345C97.1Very high83.9Confident0 Ų032.2 Ų32.20%015%0.152CC..EExtended strand (participates in β ladder)trans-104.6125.6170-57.10000108.7L323 T324 I420L323-C345 PolarHBondContact N-O 2.96Å; T324-C345 HydrophobicContact CG2-CB 3.67Å; T324-C345 PolarHBondContact O-N 2.91Å; C345-I420 HydrophobicContact CB-CB 4.06Å; C345-I420 HydrophobicContact CB-CG2 4.27Å; C345-I420 WeakPolarHBondContact CB-O 3.25Å
346L95.5Very high85.3Confident1 Ų133.5 Ų33.51%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-106157.8-177.9-62.8-176.8000111.5H318 C320 E321 I322 I344 D348 G349 S350H318-L346 HydrophobicContact CB-CD1 4.4Å; H318-L346 HydrophobicContact CB-CD2 4.15Å; C320-L346 HydrophobicContact CB-CB 4.35Å; E321-L346 CarbonylContact O-C 3.59Å; E321-L346 VanDerWaalsContact O-CA 3.27Å; E321-L346 WeakPolarHBondContact O-CA 3.46Å; I322-L346 HydrophobicContact CB-CD2 4.39Å; I322-L346 HydrophobicContact CG1-CD2 3.76Å; I344-L346 HydrophobicContact CG2-CD2 3.51Å; I344-L346 HydrophobicContact CG2-CG 3.98Å; L346-D348 VanDerWaalsContact CB-OD1 3.24Å; L346-D348 WeakPolarHBondContact CB-OD1 3.37Å; L346-D348 PolarHBondContact O-N 3.5Å; L346-G349 PolarHBondContact O-N 2.75Å; L346-S350 WeakPolarHBondContact CD1-OG 3.43Å; L346-S350 PolarHBondContact N-O 3.34Å
347S94.5Very high86.9Confident38 Ų3825 Ų2527%0.26613%0.128SC..THydrogen-bonded Turntrans-68-13.4-179.760.20000115E321 G349E321-S347 PolarHBondContact N-OG 3.06Å; E321-S347 PolarHBondContact O-N 3.04Å; S347-G349 PolarHBondContact O-N 3.18Å
348D91.5Very high88.4Confident51 Ų5123.3 Ų23.327%0.27312%0.118SC..THydrogen-bonded Turntrans-79.50.5169.970.4-11.4000113.5C320 L346 S350 W366 P417C320-D348 HydrophobicContact CB-CB 4.44Å; L346-D348 VanDerWaalsContact CB-OD1 3.24Å; L346-D348 WeakPolarHBondContact CB-OD1 3.37Å; L346-D348 PolarHBondContact O-N 3.5Å; D348-S350 VanDerWaalsContact C-N 3.3Å; D348-S350 VanDerWaalsContact OD1-CB 3.25Å; D348-S350 WeakPolarHBondContact OD1-CB 3.49Å; D348-S350 PolarHBondContact OD1-N 3.27Å; D348-S350 PolarHBondContact OD1-OG 2.99Å; D348-S350 PolarHBondContact OD2-OG 2.82Å; D348-W366 WeakPolarHBondContact O-CB 3.24Å; D348-P417 WeakPolarHBondContact O-CB 3.29Å
349G89.9Confident90Very high2 Ų218 Ų182%0.0219%0.094CC..SBendtrans79.76.9-176.600000114.6L346 S347 I364L346-G349 PolarHBondContact O-N 2.75Å; S347-G349 PolarHBondContact O-N 3.18Å; G349-I364 WeakPolarHBondContact O-CG2 3.45Å
350S92.6Very high91.1Very high4 Ų415.8 Ų15.83%0.0288%0.084CC..  trans-76.3142.4170.269.50000111.7L346 D348 Q352 I364L346-S350 WeakPolarHBondContact CD1-OG 3.43Å; L346-S350 PolarHBondContact N-O 3.34Å; D348-S350 VanDerWaalsContact C-N 3.3Å; D348-S350 VanDerWaalsContact OD1-CB 3.25Å; D348-S350 WeakPolarHBondContact OD1-CB 3.49Å; D348-S350 PolarHBondContact OD1-N 3.27Å; D348-S350 PolarHBondContact OD1-OG 2.99Å; D348-S350 PolarHBondContact OD2-OG 2.82Å; S350-Q352 PolarHBondContact OG-NE2 3.48Å; S350-I364 VanDerWaalsContact CA-O 3.29Å; S350-I364 WeakPolarHBondContact CA-O 3.32Å; S350-I364 WeakPolarHBondContact CB-O 3.5Å
351V95.6Very high91.9Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-120.3121171.8-178.30000107.3I343 I344 K362 C363 I364 I420 L437I343-V351 HydrophobicContact CG2-CG1 3.55Å; I344-V351 WeakPolarHBondContact O-CA 3.47Å; V351-K362 CarbonylContact O-C 3.48Å; V351-C363 HydrophobicContact CB-CB 4.4Å; V351-C363 HydrophobicContact CG1-CB 4.3Å; V351-C363 WeakPolarHBondContact O-CB 3.31Å; V351-C363 PolarHBondContact O-N 3.37Å; V351-I364 HydrophobicContact CB-CB 3.93Å; V351-I364 HydrophobicContact CB-CD1 4.15Å; V351-I364 HydrophobicContact CB-CG1 4.34Å; V351-I364 HydrophobicContact CG2-CB 4.08Å; V351-I364 HydrophobicContact CG2-CD1 3.82Å; V351-I364 HydrophobicContact CG2-CG1 4.43Å; V351-I364 PolarHBondContact N-O 3.1Å; V351-I364 PolarHBondContact O-N 2.72Å; V351-I364 VanDerWaalsContact O-N 3.08Å; V351-I420 HydrophobicContact CG2-CB 4.15Å; V351-I420 HydrophobicContact CG2-CG1 3.67Å; V351-L437 HydrophobicContact CG1-CD2 4.5Å; V351-L437 HydrophobicContact CG2-CD1 4.29Å
352Q94.7Very high92Very high17 Ų1718.3 Ų18.38%0.0799%0.094CC..EExtended strand (participates in β ladder)trans-127.1146.7-169.2-59.4-173.230.500110.1I343 I344 S350 Y354 L359 D361 K362I343-Q352 CarbonylContact C-O 3.52Å; I343-Q352 WeakPolarHBondContact CA-O 3.28Å; I344-Q352 PolarHBondContact N-O 2.69Å; I344-Q352 PolarHBondContact O-N 3.22Å; S350-Q352 PolarHBondContact OG-NE2 3.48Å; Q352-Y354 HydrophobicContact CB-CD2 4.3Å; Q352-Y354 HydrophobicContact CB-CE2 3.49Å; Q352-Y354 VanDerWaalsContact CB-CE2 3.49Å; Q352-Y354 PolarHBondContact OE1-OH 3.04Å; Q352-L359 HydrophobicContact CB-CD1 3.94Å; Q352-L359 HydrophobicContact CG-CD1 4.49Å; Q352-D361 WeakPolarHBondContact CA-O 3.37Å; Q352-K362 HydrophobicContact CG-CG 4.34Å
353I93.5Very high92Very high0 Ų018.2 Ų18.20%09%0.094CC..EExtended strand (participates in β ladder)trans-117.7132.1-175.8-54.1179.6000108.1W7 M328 Y341 Y342 I343 C360 D361 C363 F455W7-I353 HydrophobicContact CH2-CD1 4.23Å; W7-I353 HydrophobicContact CZ2-CD1 3.26Å; M328-I353 HydrophobicContact CE-CD1 4.38Å; M328-I353 HydrophobicContact SD-CD1 3.96Å; M328-I353 HydrophobicContact SD-CG1 4.47Å; M328-I353 HydrophobicContact SD-CG2 3.75Å; Y341-I353 HydrophobicContact CD1-CG2 4.21Å; Y342-I353 WeakPolarHBondContact O-CA 3.09Å; I343-I353 HydrophobicContact CG1-CG1 4.41Å; I353-C360 HydrophobicContact CG2-CB 4.48Å; I353-C360 PolarHBondContact O-N 2.95Å; I353-D361 HydrophobicContact CB-CB 4.23Å; I353-D361 HydrophobicContact CD1-CB 4.2Å; I353-D361 HydrophobicContact CG1-CB 4.45Å; I353-D361 PolarHBondContact N-O 2.74Å; I353-D361 PolarHBondContact O-N 3.49Å; I353-C363 HydrophobicContact CD1-CB 4.18Å; I353-C363 HydrophobicContact CG1-CB 4.36Å; I353-F455 HydrophobicContact CD1-CE1 4.04Å; I353-F455 HydrophobicContact CD1-CZ 4.36Å
354Y91.6Very high91.8Very high2 Ų218.2 Ų18.21%0.0089%0.094CC..EExtended strand (participates in β ladder)trans-127.7151.5-173.8-69.9-85.8000111.3H318 Y341 Y342 I344 Q352 H358 L359 I461H318-Y354 AromaticContact CE1-CE2 3.71Å; H318-Y354 AromaticContact CE1-CZ 3.41Å; H318-Y354 VanDerWaalsContact CE1-CZ 3.41Å; H318-Y354 PolarHBondContact CE1-OH 3.32Å; H318-Y354 PolarHBondContact ND1-OH 3.23Å; Y341-Y354 CarbonylContact C-O 3.5Å; Y341-Y354 WeakPolarHBondContact CA-O 3.21Å; Y342-Y354 VanDerWaalsContact CE2-CB 3.44Å; Y342-Y354 HydrophobicContact CE2-CD2 4.04Å; Y342-Y354 AromaticContact CE2-CG 3.91Å; Y342-Y354 HydrophobicContact CE2-CG 3.91Å; Y342-Y354 AromaticContact CZ-CG 3.96Å; Y342-Y354 PolarHBondContact N-O 3.31Å; Y342-Y354 PolarHBondContact O-N 3.28Å; I344-Y354 HydrophobicContact CB-CD2 4.25Å; I344-Y354 HydrophobicContact CB-CE2 4.04Å; I344-Y354 HydrophobicContact CD1-CD2 3.93Å; I344-Y354 HydrophobicContact CD1-CE2 3.95Å; I344-Y354 HydrophobicContact CG1-CD2 4.09Å; I344-Y354 HydrophobicContact CG1-CE2 4.25Å; Q352-Y354 HydrophobicContact CB-CD2 4.3Å; Q352-Y354 HydrophobicContact CB-CE2 3.49Å; Q352-Y354 VanDerWaalsContact CB-CE2 3.49Å; Q352-Y354 PolarHBondContact OE1-OH 3.04Å; Y354-H358 VanDerWaalsContact CA-O 3.26Å; Y354-H358 WeakPolarHBondContact CA-O 3.34Å; Y354-H358 WeakPolarHBondContact CD1-O 3.28Å; Y354-L359 HydrophobicContact CD1-CB 4.21Å; Y354-L359 HydrophobicContact CD1-CD1 4.29Å; Y354-L359 HydrophobicContact CE1-CB 3.76Å; Y354-L359 HydrophobicContact CE1-CD1 3.69Å; Y354-L359 HydrophobicContact CE1-CG 4.33Å; Y354-L359 HydrophobicContact CE2-CD1 4.15Å; Y354-I461 HydrophobicContact CE1-CD1 3.42Å; Y354-I461 VanDerWaalsContact CE1-CD1 3.42Å; Y354-I461 HydrophobicContact CE1-CG1 4.31Å; Y354-I461 WeakPolarHBondContact OH-CD1 3.46Å
355C89.2Confident91.5Very high2 Ų219.2 Ų19.21%0.01410%0.1CC..EExtended strand (participates in β ladder)trans-128119.3165.6-177.90000107.2Y341 Q357 H358 C360Y341-C355 HydrophobicContact CD1-CB 3.83Å; Y341-C355 HydrophobicContact CE1-CB 3.8Å; C355-Q357 PolarHBondContact O-N 3.42Å; C355-Q357 VanDerWaalsContact O-N 3.15Å; C355-H358 PolarHBondContact N-O 3.13Å; C355-H358 WeakPolarHBondContact O-CB 3.45Å; C355-H358 PolarHBondContact O-N 2.9Å; C355-C360 WeakPolarHBondContact CB-SG 3.37Å; C355-C360 PolarHBondContact N-SG 3.38Å
356D84.7Confident90.8Very high50 Ų5021.1 Ų21.127%0.26711%0.107SC..THydrogen-bonded Turntrans47.6-118.7-168.5-63.1-39.3000111.7W314 Y342W314-D356 VanDerWaalsContact CH2-O 3.32Å; W314-D356 WeakPolarHBondContact CH2-O 3.33Å; W314-D356 VanDerWaalsContact CZ2-C 3.44Å; W314-D356 HydrophobicContact CZ2-CB 4.31Å; Y342-D356 VanDerWaalsContact CE1-O 3.25Å; Y342-D356 WeakPolarHBondContact CE1-O 3.39Å; Y342-D356 VanDerWaalsContact CZ-O 3.29Å; Y342-D356 PolarHBondContact OH-O 2.84Å
357Q85.5Confident89.9Confident41 Ų4125.4 Ų25.419%0.19213%0.129CC..THydrogen-bonded Turntrans-92.22179.164.5-175.813.300114W314 V316 C355 V460W314-Q357 HydrophobicContact CB-CB 4.45Å; W314-Q357 HydrophobicContact CD2-CB 3.8Å; W314-Q357 HydrophobicContact CE3-CB 3.96Å; W314-Q357 HydrophobicContact CG-CB 4.01Å; W314-Q357 HydrophobicContact CZ3-CB 4.47Å; V316-Q357 HydrophobicContact CG2-CB 3.91Å; C355-Q357 PolarHBondContact O-N 3.42Å; C355-Q357 VanDerWaalsContact O-N 3.15Å; Q357-V460 HydrophobicContact CG-CG1 4.23Å
358H87.9Confident88.5Confident49 Ų4928.3 Ų28.323%0.22715%0.147CC..EExtended strand (participates in β ladder)trans-105135.2-169.2-58.5-79.2000112.2Y354 C355 C360 P457 D459 V460Y354-H358 VanDerWaalsContact CA-O 3.26Å; Y354-H358 WeakPolarHBondContact CA-O 3.34Å; Y354-H358 WeakPolarHBondContact CD1-O 3.28Å; C355-H358 PolarHBondContact N-O 3.13Å; C355-H358 WeakPolarHBondContact O-CB 3.45Å; C355-H358 PolarHBondContact O-N 2.9Å; H358-C360 PolarHBondContact O-N 2.9Å; H358-P457 HydrophobicContact CB-CB 3.67Å; H358-P457 HydrophobicContact CB-CG 4.38Å; H358-D459 WeakPolarHBondContact CA-O 3.16Å; H358-V460 WeakPolarHBondContact CE1-CG2 3.32Å; H358-V460 WeakPolarHBondContact ND1-CG2 3.47Å
359L90.3Very high87Confident17 Ų1729.5 Ų29.59%0.08916%0.159CC..EExtended strand (participates in β ladder)trans-75.3123.9172178.568.9000109.1Q352 Y354 D361 K362 M458 D459Q352-L359 HydrophobicContact CB-CD1 3.94Å; Q352-L359 HydrophobicContact CG-CD1 4.49Å; Y354-L359 HydrophobicContact CD1-CB 4.21Å; Y354-L359 HydrophobicContact CD1-CD1 4.29Å; Y354-L359 HydrophobicContact CE1-CB 3.76Å; Y354-L359 HydrophobicContact CE1-CD1 3.69Å; Y354-L359 HydrophobicContact CE1-CG 4.33Å; Y354-L359 HydrophobicContact CE2-CD1 4.15Å; L359-D361 WeakPolarHBondContact CD1-O 3.38Å; L359-K362 HydrophobicContact CD1-CG 4.35Å; L359-K362 HydrophobicContact CD2-CD 4.37Å; L359-K362 VanDerWaalsContact CD2-CE 3.49Å; L359-K362 HydrophobicContact CD2-CG 3.96Å; L359-M458 PolarHBondContact O-N 3.05Å; L359-D459 PolarHBondContact N-O 3.24Å; L359-D459 VanDerWaalsContact N-O 3.12Å
360C89.5Confident85.2Confident6 Ų635 Ų354%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-102.5-33.7179.4-62.40000112.9Y341 I353 C355 H358 F455 M458Y341-C360 HydrophobicContact CD1-CB 4.37Å; Y341-C360 HydrophobicContact CE1-CB 4.22Å; I353-C360 HydrophobicContact CG2-CB 4.48Å; I353-C360 PolarHBondContact O-N 2.95Å; C355-C360 WeakPolarHBondContact CB-SG 3.37Å; C355-C360 PolarHBondContact N-SG 3.38Å; H358-C360 PolarHBondContact O-N 2.9Å; C360-F455 HydrophobicContact CB-CB 4.12Å; C360-M458 WeakPolarHBondContact O-CE 3.49Å
361D91.7Very high82.7Confident12 Ų1242.8 Ų42.86%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-159.8149.7177.9-17327.6000111.7S4 W7 Q352 I353 L359 F455S4-D361 VanDerWaalsContact CB-OD1 3.32Å; S4-D361 WeakPolarHBondContact CB-OD1 3.43Å; S4-D361 WeakPolarHBondContact CB-OD2 3.23Å; S4-D361 PolarHBondContact OG-OD1 3.21Å; S4-D361 PolarHBondContact OG-OD2 3.47Å; W7-D361 PolarHBondContact NE1-OD2 3Å; Q352-D361 WeakPolarHBondContact CA-O 3.37Å; I353-D361 HydrophobicContact CB-CB 4.23Å; I353-D361 HydrophobicContact CD1-CB 4.2Å; I353-D361 HydrophobicContact CG1-CB 4.45Å; I353-D361 PolarHBondContact N-O 2.74Å; I353-D361 PolarHBondContact O-N 3.49Å; L359-D361 WeakPolarHBondContact CD1-O 3.38Å; D361-F455 HydrophobicContact CB-CD1 3.76Å; D361-F455 HydrophobicContact CB-CE1 3.88Å
362K91.8Very high79.8Confident90 Ų9049.2 Ų49.239%0.39126%0.263SS..EExtended strand (participates in β ladder)trans-104.981.1167.8-64.4-171.9179.6-178.60107.8V351 Q352 L359 I364 T365V351-K362 CarbonylContact O-C 3.48Å; Q352-K362 HydrophobicContact CG-CG 4.34Å; L359-K362 HydrophobicContact CD1-CG 4.35Å; L359-K362 HydrophobicContact CD2-CD 4.37Å; L359-K362 VanDerWaalsContact CD2-CE 3.49Å; L359-K362 HydrophobicContact CD2-CG 3.96Å; K362-I364 VanDerWaalsContact C-N 3.28Å; K362-I364 PolarHBondContact O-N 3.37Å; K362-T365 HydrophobicContact CB-CG2 3.85Å; K362-T365 HydrophobicContact CD-CG2 4.14Å
363C93Very high76.7Confident0 Ų053.7 Ų53.70%029%0.292CS..EExtended strand (participates in β ladder)trans-50.7-47.8-176179.90000112I3 S4 V351 I353 L447I3-C363 WeakPolarHBondContact CA-O 3.2Å; S4-C363 PolarHBondContact N-O 3.36Å; V351-C363 HydrophobicContact CB-CB 4.4Å; V351-C363 HydrophobicContact CG1-CB 4.3Å; V351-C363 WeakPolarHBondContact O-CB 3.31Å; V351-C363 PolarHBondContact O-N 3.37Å; I353-C363 HydrophobicContact CD1-CB 4.18Å; I353-C363 HydrophobicContact CG1-CB 4.36Å; C363-L447 VanDerWaalsContact SG-CD1 3.56Å
364I92.2Very high73.6Confident0 Ų059.2 Ų59.20%033%0.325CS..EExtended strand (participates in β ladder)trans-127.3135.6176.7-68.9164.8000109.1M1 T2 I3 G349 S350 V351 K362 L437 L447M1-I364 HydrophobicContact CE-CB 4.12Å; M1-I364 HydrophobicContact CE-CD1 3.37Å; M1-I364 HydrophobicContact CE-CG1 3.63Å; M1-I364 HydrophobicContact CE-CG2 3.35Å; M1-I364 HydrophobicContact CG-CG2 3.97Å; M1-I364 HydrophobicContact SD-CG2 4.46Å; T2-I364 WeakPolarHBondContact O-CA 2.99Å; I3-I364 HydrophobicContact CG1-CG1 4.35Å; G349-I364 WeakPolarHBondContact O-CG2 3.45Å; S350-I364 VanDerWaalsContact CA-O 3.29Å; S350-I364 WeakPolarHBondContact CA-O 3.32Å; S350-I364 WeakPolarHBondContact CB-O 3.5Å; V351-I364 HydrophobicContact CB-CB 3.93Å; V351-I364 HydrophobicContact CB-CD1 4.15Å; V351-I364 HydrophobicContact CB-CG1 4.34Å; V351-I364 HydrophobicContact CG2-CB 4.08Å; V351-I364 HydrophobicContact CG2-CD1 3.82Å; V351-I364 HydrophobicContact CG2-CG1 4.43Å; V351-I364 PolarHBondContact N-O 3.1Å; V351-I364 PolarHBondContact O-N 2.72Å; V351-I364 VanDerWaalsContact O-N 3.08Å; K362-I364 VanDerWaalsContact C-N 3.28Å; K362-I364 PolarHBondContact O-N 3.37Å; I364-L437 HydrophobicContact CD1-CD1 3.23Å; I364-L447 HydrophobicContact CD1-CD1 4.18Å; I364-L447 HydrophobicContact CG1-CD1 4.47Å
365T88.8Confident70.6Confident21 Ų2163.7 Ų63.713%0.12936%0.357CS..EExtended strand (participates in β ladder)trans-130.4134.6166.654.90000111.2T2 K362 R407T2-T365 PolarHBondContact N-O 3.2Å; T2-T365 PolarHBondContact O-N 2.62Å; T2-T365 PolarHBondContact OG1-O 2.94Å; T2-T365 PolarHBondContact OG1-OG1 2.71Å; K362-T365 HydrophobicContact CB-CG2 3.85Å; K362-T365 HydrophobicContact CD-CG2 4.14Å; T365-R407 PolarHBondContact OG1-NH1 3.01Å
366W81.9Confident67.6Low41 Ų4171.3 Ų71.316%0.15539%0.392CS..  trans-85.6129.6172.5-162.7-95.1000109.7M1 D348 Y412 L414 P417M1-W366 HydrophobicContact CB-CE3 4.02Å; M1-W366 HydrophobicContact CB-CZ3 3.9Å; M1-W366 HydrophobicContact CG-CE3 4.25Å; M1-W366 HydrophobicContact CG-CZ3 4.35Å; D348-W366 WeakPolarHBondContact O-CB 3.24Å; W366-Y412 AromaticContact CH2-CD1 3.53Å; W366-Y412 HydrophobicContact CH2-CD1 3.53Å; W366-Y412 AromaticContact CH2-CE1 3.39Å; W366-Y412 HydrophobicContact CH2-CE1 3.39Å; W366-Y412 AromaticContact CZ3-CD1 3.6Å; W366-Y412 HydrophobicContact CZ3-CD1 3.6Å; W366-Y412 AromaticContact CZ3-CE1 3.56Å; W366-Y412 HydrophobicContact CZ3-CE1 3.56Å; W366-L414 HydrophobicContact CH2-CB 3.81Å; W366-L414 HydrophobicContact CZ2-CB 3.72Å; W366-L414 WeakPolarHBondContact CZ2-O 3.19Å; W366-P417 HydrophobicContact CB-CB 4.42Å; W366-P417 HydrophobicContact CD2-CB 4.19Å; W366-P417 HydrophobicContact CG-CB 3.9Å
367I77.1Confident65Low90 Ų9075.7 Ų75.746%0.46242%0.416SS..  trans-105.1117.5176-56.9179.2000106.4T2 S369 L409T2-I367 HydrophobicContact CG2-CD1 3.4Å; T2-I367 HydrophobicContact CG2-CG1 4.19Å; I367-S369 PolarHBondContact O-N 2.91Å; I367-L409 HydrophobicContact CD1-CD1 4.44Å
368P66.2Low62.1Low100 Ų10080.6 Ų80.665%0.64944%0.443SS*.  trans-56.9137.9173.7-19.930.5000110.1T370P368-T370 PolarHBondContact O-N 2.77Å
369S58.5Low59.4Low75 Ų7585 Ų8552%0.52447%0.469SS..  trans-63110165.354.40000107.7I367 Q371I367-S369 PolarHBondContact O-N 2.91Å; S369-Q371 PolarHBondContact O-N 2.75Å
370T52.5Low56.3Low118 Ų11888.9 Ų88.972%0.72450%0.497SS*.  trans-59.3111.1162.846.90000105.8P368 N372P368-T370 PolarHBondContact O-N 2.77Å; T370-N372 PolarHBondContact O-N 3.44Å
371Q40.4Very low53.3Low167 Ų16796.5 Ų96.578%0.7854%0.538SS*.  trans-57.1112.7163.3-69.6-172.46.100104.8S369 T373S369-Q371 PolarHBondContact O-N 2.75Å; Q371-T373 PolarHBondContact O-N 3.42Å
372N34.5Very low50.1Low135 Ų135101 Ų10172%0.72257%0.568SS**  trans-60.689.8164.7-77.7-17.5000105.3T370 T374T370-N372 PolarHBondContact O-N 3.44Å; N372-T374 PolarHBondContact O-N 2.9Å; N372-T374 PolarHBondContact O-OG1 3.14Å
373T29.1Very low46.8Very low112 Ų112101.4 Ų101.469%0.68758%0.582SS**  trans-65.379.6157.551.50000105.1Q371 S375Q371-T373 PolarHBondContact O-N 3.42Å; T373-S375 PolarHBondContact O-N 3.23Å
374T29Very low43.5Very low115 Ų115107.9 Ų107.971%0.70662%0.616SS**  trans-66.581.2155.735.70000104.4N372 E376N372-T374 PolarHBondContact O-N 2.9Å; N372-T374 PolarHBondContact O-OG1 3.14Å; T374-E376 PolarHBondContact O-N 2.97Å
375S29.6Very low40.4Very low97 Ų97115 Ų11568%0.67865%0.654SS**  trans-67.691.1163.4-58.30000105.7T373 D377T373-S375 PolarHBondContact O-N 3.23Å; S375-D377 PolarHBondContact O-N 3.18Å
376E25.9Very low37.3Very low161 Ų161122 Ų12275%0.75269%0.689SS**  trans-63.964.5163.7-68.6-177.3147.100109.6T374 N378T374-E376 PolarHBondContact O-N 2.97Å; E376-N378 PolarHBondContact O-N 3.28Å
377D29.3Very low34.7Very low142 Ų142126.1 Ų126.176%0.75972%0.719SS**  trans-9077164.8-82.9-24.5000108.6S375 N379S375-D377 PolarHBondContact O-N 3.18Å; D377-N379 VanDerWaalsContact C-N 3.31Å; D377-N379 PolarHBondContact O-N 3.48Å
378N25.7Very low32.1Very low144 Ų144127.6 Ų127.677%0.7774%0.738SS**  trans-57.294.4155-76.7-42.9000108.5E376E376-N378 PolarHBondContact O-N 3.28Å
379N30.6Very low30.2Very low142 Ų142126.5 Ų126.576%0.75975%0.745SS**  trans-133.495157-90.7-40.7000110D377 N381D377-N379 VanDerWaalsContact C-N 3.31Å; D377-N379 PolarHBondContact O-N 3.48Å; N379-N381 PolarHBondContact O-N 2.97Å
380S25.3Very low28.6Very low99 Ų99130.7 Ų130.769%0.69276%0.761SS**  trans-28.4122.6153.150.40000113.7
381N25.6Very low27.2Very low165 Ų165130.2 Ų130.288%0.88276%0.763SS**  trans-151108.5139.5-95.5-31000108.8N379N379-N381 PolarHBondContact O-N 2.97Å
382P24.2Very low26.5Very low108 Ų108125.6 Ų125.670%0.70176%0.76SS**  trans-85.9160.5173.835-29.9000110.5
383S24.1Very low25.9Very low98 Ų98125.4 Ų125.469%0.68576%0.763SS**  trans97.7124.2157.180.20000118.8
384N23.9Very low25.7Very low136 Ų136127.1 Ų127.173%0.72777%0.767SS**  trans74101142.3-59.1-10.9000118.2
385N26.7Very low25.3Very low149 Ų149130.4 Ų130.480%0.79777%0.772SS**  -179.2127.395.9-87.2-32.9000111.5
386I22.2Very low25Very low167 Ų167131 Ų13186%0.85677%0.771SS**  trans-78.5118164.1-66.1164.9000106.5
387T27.6Very low24.8Very low129 Ų129129 Ų12979%0.79177%0.769SS**  trans-147.8111.7155.712.30000110
388S22.6Very low24.5Very low121 Ų121130.7 Ų130.785%0.84677%0.773SS**  trans-55.7128.8164.150.70000111.4
389G27.5Very low24.4Very low77 Ų77130.4 Ų130.479%0.79478%0.776SS**  trans-150.5120.1172.200000110.4
390N24.3Very low24.1Very low162 Ų162126.3 Ų126.387%0.86677%0.768SS**  trans-62.1153.5-170.8-98.6-18.6000115.9
391S23.6Very low24.1Very low109 Ų109130 Ų13076%0.76277%0.774SS**  trans54.997.3143.5700000118.9
392G24.8Very low24.1Very low70 Ų70128.7 Ų128.772%0.72277%0.767SS**  trans-147.372.2161.100000109.9I394G392-I394 VanDerWaalsContact C-N 3.33Å; G392-I394 PolarHBondContact O-N 3.14Å
393T21.6Very low24.4Very low130 Ų130129.7 Ų129.780%0.79877%0.767SS**  trans-72.882.7-180-36.10000110
394I25Very low24.8Very low148 Ų148132 Ų13276%0.75977%0.771SS**  trans-94.596.9167-58.6179.3000107.5G392 V396G392-I394 VanDerWaalsContact C-N 3.33Å; G392-I394 PolarHBondContact O-N 3.14Å; I394-V396 HydrophobicContact CG2-CG2 4.06Å; I394-V396 PolarHBondContact O-N 2.87Å; I394-V396 VanDerWaalsContact O-N 3.09Å
395K21.6Very low25.5Very low185 Ų185132 Ų13280%0.80477%0.767SS**  trans-67.597.5167-79.3-179174.3178.90108.5T397K395-T397 PolarHBondContact O-N 2.81Å
396V23Very low26.3Very low110 Ų110130.1 Ų130.167%0.66777%0.766SS**  trans-84.8104.2160.2-177.40000106.7I394 E398I394-V396 HydrophobicContact CG2-CG2 4.06Å; I394-V396 PolarHBondContact O-N 2.87Å; I394-V396 VanDerWaalsContact O-N 3.09Å; V396-E398 VanDerWaalsContact C-N 3.34Å; V396-E398 HydrophobicContact CG1-CG 4.13Å; V396-E398 PolarHBondContact O-N 3.41Å
397T22.2Very low27.5Very low117 Ų117127.8 Ų127.872%0.71875%0.746SS**  trans-70.490.8166.935.50000108.6K395 T399K395-T397 PolarHBondContact O-N 2.81Å; T397-T399 VanDerWaalsContact C-N 3.26Å; T397-T399 PolarHBondContact O-N 3.05Å
398E23.1Very low29Very low178 Ų178128.5 Ų128.583%0.83274%0.738SS**  trans-74.382.8163.4-73.9-173.3159.300109.1V396 G400V396-E398 VanDerWaalsContact C-N 3.34Å; V396-E398 HydrophobicContact CG1-CG 4.13Å; V396-E398 PolarHBondContact O-N 3.41Å; E398-G400 PolarHBondContact O-N 2.78Å; E398-G400 VanDerWaalsContact O-N 3.11Å
399T22.5Very low30.6Very low138 Ų138127.9 Ų127.985%0.84773%0.725SS**  trans-81.666.9160.452.10000108.9T397T397-T399 VanDerWaalsContact C-N 3.26Å; T397-T399 PolarHBondContact O-N 3.05Å
400G24.6Very low32.2Very low56 Ų56125.3 Ų125.358%0.57769%0.693SS**  trans-12573.3167.800000107.2E398 N402E398-G400 PolarHBondContact O-N 2.78Å; E398-G400 VanDerWaalsContact O-N 3.11Å; G400-N402 PolarHBondContact O-N 2.84Å
401Q24.7Very low33.9Very low176 Ų176124.4 Ų124.482%0.82269%0.688SS**  trans-60.593.9168.7-76.2179.5-10.500107.4N403Q401-N403 PolarHBondContact O-N 2.89Å
402N26.9Very low35.6Very low139 Ų139120.6 Ų120.674%0.74366%0.657SS**  trans-59.389.3159.7-86.3-22.5000106.2G400 N404G400-N402 PolarHBondContact O-N 2.84Å; N402-N404 PolarHBondContact O-N 2.92Å
403N28.7Very low37.4Very low128 Ų128123.5 Ų123.568%0.68465%0.651SS**  trans-65.678.8164.4-80.7-17.1000107.1Q401 Q405Q401-N403 PolarHBondContact O-N 2.89Å; N403-Q405 PolarHBondContact O-N 2.97Å
404N33.6Very low39.4Very low146 Ų146120.9 Ų120.978%0.78163%0.632SS**  trans-65.672.9162.7-80.3-16.6000107.1N402 S406N402-N404 PolarHBondContact O-N 2.92Å; N404-S406 PolarHBondContact O-N 2.95Å
405Q38.6Very low41.3Very low137 Ų137118.3 Ų118.364%0.6463%0.633SS**  trans-56.9123.9163.2-73.9-175.9-1400106.5N403 R407N403-Q405 PolarHBondContact O-N 2.97Å; Q405-R407 PolarHBondContact O-N 2.9Å
406S42.4Very low44Very low110 Ų110117.1 Ų117.177%0.76963%0.628SS**  trans-7270.1-167.4-150.80000110.7N404 K408N404-S406 PolarHBondContact O-N 2.95Å; S406-K408 PolarHBondContact O-N 2.88Å
407R48.5Very low46.9Very low117 Ų117114.5 Ų114.544%0.44261%0.613SS.*  trans-62.5136.1-179.2-68.8-177.1-177.4173.24.3110.1T365 Q405 L409T365-R407 PolarHBondContact OG1-NH1 3.01Å; Q405-R407 PolarHBondContact O-N 2.9Å; R407-L409 PolarHBondContact O-N 3.03Å
408K59Low50.1Low144 Ų144109.6 Ų109.663%0.62658%0.583SS**EExtended strand (participates in β ladder)trans-69.8106.4174.5-158.9174.7-176.5-178.60109.5I3 S406I3-K408 PolarHBondContact N-O 2.79Å; S406-K408 PolarHBondContact O-N 2.88Å
409L55.8Low53.5Low108 Ų108101.6 Ų101.657%0.56555%0.546SS*.EExtended strand (participates in β ladder)trans-72.3127172.9-144.6104000108.6T2 I367 R407T2-L409 HydrophobicContact CG2-CD1 3.67Å; T2-L409 HydrophobicContact CG2-CG 4.21Å; I367-L409 HydrophobicContact CD1-CD1 4.44Å; R407-L409 PolarHBondContact O-N 3.03Å
410I62Low56.9Low23 Ų2395.2 Ų95.212%0.11851%0.507CS..  trans-95.9126.7167.5-58.9170.8000106.1M1 I3 L9 Y412M1-I410 PolarHBondContact O-N 2.94Å; I3-I410 HydrophobicContact CD1-CD1 3.34Å; I3-I410 HydrophobicContact CG1-CD1 3.59Å; I3-I410 HydrophobicContact CG1-CG1 4.48Å; L9-I410 HydrophobicContact CD2-CD1 3.66Å; L9-I410 HydrophobicContact CD2-CG1 4.21Å; I410-Y412 PolarHBondContact O-N 3.34Å
411D58.6Low60.3Low143 Ų14394.4 Ų94.477%0.76549%0.49SS*.  trans-68.869.1173.9-164.812.7000109.8H413D411-H413 IonicContact OD1-CD2 3.01Å; D411-H413 PolarHBondContact OD1-CD2 3.34Å; D411-H413 IonicContact OD1-NE2 3Å
412Y60.4Low63.7Low30 Ų3086 Ų8612%0.11845%0.451CS..  trans-134.1101175.7-179.4-115.6000106.7M1 L14 W366 I410 D418 H443M1-Y412 HydrophobicContact CB-CD1 4.41Å; M1-Y412 PolarHBondContact N-O 3.48Å; M1-Y412 VanDerWaalsContact N-O 3.16Å; M1-Y412 HydrophobicContact SD-CD1 4.44Å; L14-Y412 HydrophobicContact CD2-CD2 3.81Å; L14-Y412 HydrophobicContact CD2-CE2 3.56Å; W366-Y412 AromaticContact CH2-CD1 3.53Å; W366-Y412 HydrophobicContact CH2-CD1 3.53Å; W366-Y412 AromaticContact CH2-CE1 3.39Å; W366-Y412 HydrophobicContact CH2-CE1 3.39Å; W366-Y412 AromaticContact CZ3-CD1 3.6Å; W366-Y412 HydrophobicContact CZ3-CD1 3.6Å; W366-Y412 AromaticContact CZ3-CE1 3.56Å; W366-Y412 HydrophobicContact CZ3-CE1 3.56Å; I410-Y412 PolarHBondContact O-N 3.34Å; Y412-D418 HydrophobicContact CE1-CB 4.37Å; Y412-D418 PolarHBondContact OH-OD2 2.98Å; Y412-H443 AromaticContact CE2-CE1 3.93Å; Y412-H443 AromaticContact CZ-CE1 3.67Å; Y412-H443 AromaticContact CZ-ND1 3.73Å; Y412-H443 PolarHBondContact OH-CE1 2.86Å; Y412-H443 PolarHBondContact OH-ND1 2.65Å
413H62.7Low67Low130 Ų13079.5 Ų79.560%0.60242%0.416SS*.  trans-115.1100-176.4-69.8-79.9000108.7D411D411-H413 IonicContact OD1-CD2 3.01Å; D411-H413 PolarHBondContact OD1-CD2 3.34Å; D411-H413 IonicContact OD1-NE2 3Å
414L62.6Low70.2Confident75 Ų7574.1 Ų74.139%0.39339%0.389SS..  trans-106143.3166.7-164.969.6000108.7W366 K416 D418W366-L414 HydrophobicContact CH2-CB 3.81Å; W366-L414 HydrophobicContact CZ2-CB 3.72Å; W366-L414 WeakPolarHBondContact CZ2-O 3.19Å; L414-K416 WeakPolarHBondContact CB-O 3.4Å; L414-K416 WeakPolarHBondContact CD2-O 3.5Å; L414-K416 WeakPolarHBondContact CG-O 3.41Å; L414-K416 PolarHBondContact O-N 2.64Å; L414-D418 HydrophobicContact CD2-CB 4.07Å
415A66.5Low73.2Confident95 Ų9568.5 Ų68.579%0.78536%0.358SS*.SBendtrans-63.1-27.3179.800000112.7
416K77.8Confident75.8Confident159 Ų15962.8 Ų62.869%0.69134%0.336SS*.SBendtrans-117.1150.7174.6-67.6-175.7-179.5-178.70109.6L414 D418L414-K416 WeakPolarHBondContact CB-O 3.4Å; L414-K416 WeakPolarHBondContact CD2-O 3.5Å; L414-K416 WeakPolarHBondContact CG-O 3.41Å; L414-K416 PolarHBondContact O-N 2.64Å; K416-D418 PolarHBondContact O-N 2.73Å
417P83.8Confident78.2Confident55 Ų5561.4 Ų61.436%0.35732%0.316SS..  trans-58.813917025.8-32.9000110.3D348 W366 P419D348-P417 WeakPolarHBondContact O-CB 3.29Å; W366-P417 HydrophobicContact CB-CB 4.42Å; W366-P417 HydrophobicContact CD2-CB 4.19Å; W366-P417 HydrophobicContact CG-CB 3.9Å; P417-P419 WeakPolarHBondContact O-CD 3.24Å
418D89.5Confident80.4Confident15 Ų1556.2 Ų56.28%0.0830%0.296CS..  trans-101.398.6172.617920.2000108.2Y412 L414 K416 S439 Q440 A441 H443Y412-D418 HydrophobicContact CE1-CB 4.37Å; Y412-D418 PolarHBondContact OH-OD2 2.98Å; L414-D418 HydrophobicContact CD2-CB 4.07Å; K416-D418 PolarHBondContact O-N 2.73Å; D418-S439 VanDerWaalsContact CG-CB 3.49Å; D418-S439 VanDerWaalsContact CG-OG 3.31Å; D418-S439 WeakPolarHBondContact OD1-CB 3.27Å; D418-S439 PolarHBondContact OD1-OG 2.81Å; D418-S439 WeakPolarHBondContact OD2-CB 3.23Å; D418-S439 PolarHBondContact OD2-OG 2.93Å; D418-Q440 PolarHBondContact OD1-N 3.19Å; D418-A441 WeakPolarHBondContact OD1-CB 3.33Å; D418-A441 PolarHBondContact OD1-N 3.13Å; D418-A441 WeakPolarHBondContact OD2-CB 3.44Å; D418-H443 IonicContact OD2-CE1 2.77Å; D418-H443 IonicContact OD2-CG 2.72Å; D418-H443 IonicContact OD2-ND1 3.52Å; D418-H443 PolarHBondContact OD2-ND1 2.86Å
419P93.2Very high81.9Confident10 Ų1051.5 Ų51.57%0.06528%0.278CS..  trans-75152.3-171.230.3-35000112.7L323 P417 S439 Q440L323-P419 HydrophobicContact CD1-CB 3.6Å; L323-P419 HydrophobicContact CD1-CG 4.26Å; P417-P419 WeakPolarHBondContact O-CD 3.24Å; P419-S439 CarbonylContact O-C 3.52Å; P419-S439 WeakPolarHBondContact O-CA 3.27Å; P419-Q440 HydrophobicContact CG-CB 3.96Å; P419-Q440 PolarHBondContact O-N 2.74Å
420I95.4Very high83.5Confident4 Ų455.9 Ų55.92%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-85.4119.1175.3-58-53.2000109.4L323 C345 V351 A422 L437 V438 L445L323-I420 WeakPolarHBondContact CD1-O 3.21Å; C345-I420 HydrophobicContact CB-CB 4.06Å; C345-I420 HydrophobicContact CB-CG2 4.27Å; C345-I420 WeakPolarHBondContact CB-O 3.25Å; V351-I420 HydrophobicContact CG2-CB 4.15Å; V351-I420 HydrophobicContact CG2-CG1 3.67Å; I420-A422 WeakPolarHBondContact CG2-O 3.49Å; I420-L437 HydrophobicContact CD1-CB 4.17Å; I420-L437 HydrophobicContact CG1-CB 4.44Å; I420-L437 HydrophobicContact CG2-CB 3.96Å; I420-L437 HydrophobicContact CG2-CD2 4.11Å; I420-V438 WeakPolarHBondContact CG2-O 3.5Å; I420-L445 HydrophobicContact CD1-CD1 4.27Å
421V94.8Very high84.9Confident38 Ų3859.5 Ų59.523%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-96.6-25.7-176.5-640000112.7V438 Q440V421-V438 WeakPolarHBondContact CG2-O 3.06Å; V421-V438 PolarHBondContact N-O 3.23Å; V421-Q440 HydrophobicContact CG1-CB 3.78Å; V421-Q440 HydrophobicContact CG1-CG 4.22Å
422A96.8Very high86.3Confident0 Ų058.4 Ų58.40%030%0.296CS..EExtended strand (participates in β ladder)trans-141.7143.7179.300000111.8T20 S22 M25 I420 V438T20-A422 HydrophobicContact CG2-CB 3.7Å; S22-A422 WeakPolarHBondContact OG-CA 3.18Å; M25-A422 HydrophobicContact SD-CB 3.54Å; M25-A422 VanDerWaalsContact SD-CB 3.54Å; I420-A422 WeakPolarHBondContact CG2-O 3.49Å; A422-V438 HydrophobicContact CB-CB 4.31Å; A422-V438 PolarHBondContact N-O 2.87Å; A422-V438 PolarHBondContact O-N 2.79Å
423C96.8Very high87.8Confident2 Ų258.8 Ų58.81%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-149.8151.3175.3640000112.6S22 A326 L435 I436 L437S22-C423 PolarHBondContact OG-N 3.44Å; S22-C423 PolarHBondContact OG-O 3.32Å; A326-C423 VanDerWaalsContact CB-SG 3.52Å; C423-L435 HydrophobicContact CB-CD1 4.38Å; C423-I436 VanDerWaalsContact CA-O 3.25Å; C423-I436 WeakPolarHBondContact CA-O 3.33Å; C423-L437 HydrophobicContact CB-CD2 3.49Å; C423-L437 VanDerWaalsContact CB-CD2 3.49Å
424C95.7Very high89.4Confident16 Ų1652.6 Ų52.611%0.10827%0.272CS..EExtended strand (participates in β ladder)trans-143.4149168.165.90000110.4M25 I436M25-C424 HydrophobicContact CB-CB 4.4Å; C424-I436 PolarHBondContact N-O 2.95Å; C424-I436 VanDerWaalsContact N-O 3.07Å; C424-I436 PolarHBondContact O-N 2.96Å
425F95.5Very high91Very high28 Ų2849 Ų4912%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-127.1139.7-179.6-178.2-89.1000111W7 M328 F330 I343 N433 T434 L435 V449W7-F425 HydrophobicContact CH2-CD2 4.5Å; W7-F425 HydrophobicContact CH2-CE2 4.03Å; W7-F425 HydrophobicContact CZ3-CE2 4.39Å; M328-F425 HydrophobicContact CB-CD1 4.15Å; M328-F425 HydrophobicContact CB-CG 4.23Å; M328-F425 HydrophobicContact CE-CE2 3.79Å; M328-F425 HydrophobicContact CE-CZ 3.83Å; M328-F425 HydrophobicContact CG-CD1 3.75Å; M328-F425 HydrophobicContact CG-CD2 3.97Å; M328-F425 HydrophobicContact CG-CE1 3.67Å; M328-F425 HydrophobicContact CG-CE2 3.91Å; M328-F425 HydrophobicContact CG-CG 3.9Å; M328-F425 HydrophobicContact CG-CZ 3.74Å; M328-F425 HydrophobicContact SD-CE2 4.29Å; F330-F425 HydrophobicContact CD2-CZ 4.42Å; I343-F425 HydrophobicContact CD1-CB 4.1Å; I343-F425 HydrophobicContact CD1-CD2 4.28Å; I343-F425 HydrophobicContact CD1-CG 4.43Å; F425-N433 HydrophobicContact CE2-CB 4.44Å; F425-N433 HydrophobicContact CZ-CB 3.8Å; F425-T434 WeakPolarHBondContact CA-O 3.26Å; F425-T434 WeakPolarHBondContact CD2-O 3.26Å; F425-L435 HydrophobicContact CB-CD1 4.34Å; F425-L435 HydrophobicContact CD2-CB 3.95Å; F425-L435 HydrophobicContact CD2-CD1 4.42Å; F425-V449 HydrophobicContact CE2-CG2 4.03Å; F425-V449 HydrophobicContact CZ-CG2 4.34Å
426G93.6Very high92.5Very high17 Ų1744.5 Ų44.518%0.17522%0.216CC..EExtended strand (participates in β ladder)trans157.1-158.4171.300000113Y428 I432 T434G426-Y428 PolarHBondContact O-N 2.9Å; G426-I432 CarbonylContact C-O 3.58Å; G426-T434 PolarHBondContact N-O 2.73Å; G426-T434 PolarHBondContact O-N 3.02Å
427K92.8Very high93.4Very high81 Ų8137 Ų3735%0.35218%0.183SC..EExtended strand (participates in β ladder)trans-71122.5176.9-178.2-175.3176.8-163.20109.6S34 N36 E431 I432S34-K427 PolarHBondContact O-NZ 2.85Å; N36-K427 HydrophobicContact CB-CG 4.5Å; N36-K427 WeakPolarHBondContact CB-O 3.14Å; N36-K427 WeakPolarHBondContact ND2-CB 3.2Å; N36-K427 PolarHBondContact ND2-O 3.34Å; K427-E431 CarbonylContact C-O 3.56Å; K427-E431 VanDerWaalsContact CA-O 3.25Å; K427-E431 WeakPolarHBondContact CA-O 3.13Å; K427-I432 WeakPolarHBondContact CA-O 3.12Å; K427-I432 PolarHBondContact N-O 2.86Å; K427-I432 VanDerWaalsContact N-O 3.14Å
428Y94.2Very high94Very high7 Ų734.3 Ų34.33%0.02717%0.166CC..EExtended strand (participates in β ladder)trans-133.8131.7175.6177-116.1000109.4L27 L38 F64 K65 G66 G426 R430 E431 T434 I436 I446L27-Y428 HydrophobicContact CD2-CD2 3.8Å; L27-Y428 HydrophobicContact CD2-CG 4.3Å; L38-Y428 HydrophobicContact CB-CD2 3.9Å; L38-Y428 HydrophobicContact CB-CE2 3.4Å; F64-Y428 WeakPolarHBondContact CB-OH 3.37Å; K65-Y428 WeakPolarHBondContact CA-OH 3.39Å; K65-Y428 PolarHBondContact N-OH 2.84Å; G66-Y428 PolarHBondContact N-OH 3.16Å; G66-Y428 WeakPolarHBondContact O-CE1 3.26Å; G66-Y428 VanDerWaalsContact O-CZ 3.27Å; G66-Y428 PolarHBondContact O-OH 3.15Å; G426-Y428 PolarHBondContact O-N 2.9Å; Y428-R430 PolarHBondContact O-N 3.33Å; Y428-R430 VanDerWaalsContact O-N 3.12Å; Y428-E431 PolarHBondContact N-O 2.87Å; Y428-E431 PolarHBondContact O-N 2.99Å; Y428-T434 HydrophobicContact CD1-CG2 4.11Å; Y428-I436 HydrophobicContact CD1-CD1 4.06Å; Y428-I436 HydrophobicContact CD2-CD1 4.08Å; Y428-I436 HydrophobicContact CE1-CD1 4.39Å; Y428-I436 HydrophobicContact CE2-CD1 4.42Å; Y428-I436 HydrophobicContact CG-CD1 3.87Å; Y428-I446 HydrophobicContact CD1-CG2 4.38Å; Y428-I446 HydrophobicContact CE1-CD1 4Å; Y428-I446 HydrophobicContact CE1-CG2 4.4Å
429D90.6Very high94.2Very high46 Ų4633.7 Ų33.725%0.24616%0.162CC..BIsolated β-bridgetrans51.1-114.3-167.1-167.720.4000110.6T35 N36T35-D429 VanDerWaalsContact CA-O 3.28Å; T35-D429 WeakPolarHBondContact CA-O 3.31Å; T35-D429 WeakPolarHBondContact CB-OD1 3.43Å; T35-D429 WeakPolarHBondContact CG2-OD1 3.17Å; N36-D429 PolarHBondContact N-O 2.94Å; N36-D429 WeakPolarHBondContact O-CA 3.48Å; N36-D429 PolarHBondContact O-N 3.28Å
430R90Very high94.2Very high200 Ų20039.6 Ų39.676%0.75519%0.189SC*.THydrogen-bonded Turntrans-98.6-11.8175.4-65-179.5177.6177.1-1.2113.7T35 Y428T35-R430 HydrophobicContact CG2-CG 3.82Å; Y428-R430 PolarHBondContact O-N 3.33Å; Y428-R430 VanDerWaalsContact O-N 3.12Å
431E91.3Very high93.9Very high99 Ų9941.8 Ų41.846%0.46321%0.208SC..EExtended strand (participates in β ladder)trans-89.4124.1-172.2-66.8-64.5162.200110.8K427 Y428 T434 I448K427-E431 CarbonylContact C-O 3.56Å; K427-E431 VanDerWaalsContact CA-O 3.25Å; K427-E431 WeakPolarHBondContact CA-O 3.13Å; Y428-E431 PolarHBondContact N-O 2.87Å; Y428-E431 PolarHBondContact O-N 2.99Å; E431-T434 WeakPolarHBondContact CB-OG1 3.41Å; E431-T434 PolarHBondContact O-OG1 2.9Å; E431-I448 HydrophobicContact CB-CG2 4.42Å; E431-I448 HydrophobicContact CG-CD1 3.9Å; E431-I448 HydrophobicContact CG-CG1 4.36Å; E431-I448 HydrophobicContact CG-CG2 4.34Å
432I88.4Confident93.7Very high119 Ų11940.1 Ų40.161%0.6120%0.198SC*.EExtended strand (participates in β ladder)trans-73.2-35.4-171.8-58.1169.7000111.7G426 K427G426-I432 CarbonylContact C-O 3.58Å; K427-I432 WeakPolarHBondContact CA-O 3.12Å; K427-I432 PolarHBondContact N-O 2.86Å; K427-I432 VanDerWaalsContact N-O 3.14Å
433N92.6Very high93.5Very high38 Ų3841.2 Ų41.220%0.20320%0.203CC..EExtended strand (participates in β ladder)trans-120.475.6-170.4-68.2-35.8000110.2F330 F425 V449F330-N433 HydrophobicContact CD2-CB 4.27Å; F330-N433 HydrophobicContact CE2-CB 4.34Å; F330-N433 VanDerWaalsContact CE2-ND2 3.34Å; F330-N433 WeakPolarHBondContact CE2-ND2 3.3Å; F425-N433 HydrophobicContact CE2-CB 4.44Å; F425-N433 HydrophobicContact CZ-CB 3.8Å; N433-V449 HydrophobicContact CB-CB 3.9Å; N433-V449 HydrophobicContact CB-CG2 3.92Å; N433-V449 PolarHBondContact O-N 3.06Å
434T95.4Very high93.4Very high1 Ų141.2 Ų41.21%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-115132.1-179.4-52.80000110.7F425 G426 Y428 E431 I436 I446 L447 I448F425-T434 WeakPolarHBondContact CA-O 3.26Å; F425-T434 WeakPolarHBondContact CD2-O 3.26Å; G426-T434 PolarHBondContact N-O 2.73Å; G426-T434 PolarHBondContact O-N 3.02Å; Y428-T434 HydrophobicContact CD1-CG2 4.11Å; E431-T434 WeakPolarHBondContact CB-OG1 3.41Å; E431-T434 PolarHBondContact O-OG1 2.9Å; T434-I436 HydrophobicContact CG2-CG1 4.14Å; T434-I446 HydrophobicContact CG2-CG2 3.62Å; T434-L447 CarbonylContact C-O 3.56Å; T434-L447 WeakPolarHBondContact CA-O 3.36Å; T434-I448 HydrophobicContact CG2-CG1 4.33Å
435L96.7Very high93.3Very high0 Ų040.6 Ų40.60%020%0.198CC..EExtended strand (participates in β ladder)trans-103.8126.4171.3179.353.7000109.4W7 I343 C423 F425 L437 L447W7-L435 HydrophobicContact CE3-CB 4.42Å; W7-L435 HydrophobicContact CH2-CB 3.94Å; W7-L435 HydrophobicContact CH2-CD2 3.97Å; W7-L435 HydrophobicContact CZ3-CB 3.5Å; W7-L435 HydrophobicContact CZ3-CD2 4.09Å; W7-L435 HydrophobicContact CZ3-CG 4.47Å; I343-L435 HydrophobicContact CD1-CD1 3.43Å; I343-L435 VanDerWaalsContact CD1-CD1 3.43Å; I343-L435 HydrophobicContact CD1-CD2 3.95Å; I343-L435 HydrophobicContact CD1-CG 4.27Å; C423-L435 HydrophobicContact CB-CD1 4.38Å; F425-L435 HydrophobicContact CB-CD1 4.34Å; F425-L435 HydrophobicContact CD2-CB 3.95Å; F425-L435 HydrophobicContact CD2-CD1 4.42Å; L435-L437 HydrophobicContact CD1-CD2 3.63Å; L435-L437 HydrophobicContact CD1-CG 4.44Å; L435-L437 HydrophobicContact CD2-CD1 4.39Å; L435-L437 HydrophobicContact CD2-CD2 3.93Å; L435-L437 HydrophobicContact CD2-CG 4.37Å; L435-L437 HydrophobicContact CG-CD1 4.47Å; L435-L437 HydrophobicContact CG-CD2 3.63Å; L435-L437 HydrophobicContact CG-CG 3.98Å; L435-L447 HydrophobicContact CB-CB 4.31Å; L435-L447 PolarHBondContact N-O 3.25Å; L435-L447 PolarHBondContact O-N 3.46Å
436I97.2Very high93.3Very high0 Ų039.4 Ų39.40%019%0.194CC..EExtended strand (participates in β ladder)trans-116.4129.9176.6-58.8171.9000108M25 L27 L38 C423 C424 Y428 T434 M444 L445 I446M25-I436 HydrophobicContact CE-CG2 3.87Å; L27-I436 HydrophobicContact CD2-CD1 3.81Å; L38-I436 HydrophobicContact CB-CD1 4.15Å; L38-I436 HydrophobicContact CD1-CD1 3.93Å; L38-I436 HydrophobicContact CD1-CG2 4.43Å; L38-I436 HydrophobicContact CD2-CD1 3.98Å; L38-I436 HydrophobicContact CD2-CG2 3.84Å; L38-I436 HydrophobicContact CG-CD1 4.2Å; C423-I436 VanDerWaalsContact CA-O 3.25Å; C423-I436 WeakPolarHBondContact CA-O 3.33Å; C424-I436 PolarHBondContact N-O 2.95Å; C424-I436 VanDerWaalsContact N-O 3.07Å; C424-I436 PolarHBondContact O-N 2.96Å; Y428-I436 HydrophobicContact CD1-CD1 4.06Å; Y428-I436 HydrophobicContact CD2-CD1 4.08Å; Y428-I436 HydrophobicContact CE1-CD1 4.39Å; Y428-I436 HydrophobicContact CE2-CD1 4.42Å; Y428-I436 HydrophobicContact CG-CD1 3.87Å; T434-I436 HydrophobicContact CG2-CG1 4.14Å; I436-M444 HydrophobicContact CG2-CG 4.37Å; I436-L445 WeakPolarHBondContact CA-O 3.43Å; I436-I446 HydrophobicContact CG1-CG1 4.46Å; I436-I446 HydrophobicContact CG1-CG2 4.46Å
437L97Very high93.4Very high0 Ų038.6 Ų38.60%019%0.185CC..EExtended strand (participates in β ladder)trans-126.4139.6-174.3-51.8173.6000109.7V351 I364 I420 C423 L435 M444 L445 L447V351-L437 HydrophobicContact CG1-CD2 4.5Å; V351-L437 HydrophobicContact CG2-CD1 4.29Å; I364-L437 HydrophobicContact CD1-CD1 3.23Å; I420-L437 HydrophobicContact CD1-CB 4.17Å; I420-L437 HydrophobicContact CG1-CB 4.44Å; I420-L437 HydrophobicContact CG2-CB 3.96Å; I420-L437 HydrophobicContact CG2-CD2 4.11Å; C423-L437 HydrophobicContact CB-CD2 3.49Å; C423-L437 VanDerWaalsContact CB-CD2 3.49Å; L435-L437 HydrophobicContact CD1-CD2 3.63Å; L435-L437 HydrophobicContact CD1-CG 4.44Å; L435-L437 HydrophobicContact CD2-CD1 4.39Å; L435-L437 HydrophobicContact CD2-CD2 3.93Å; L435-L437 HydrophobicContact CD2-CG 4.37Å; L435-L437 HydrophobicContact CG-CD1 4.47Å; L435-L437 HydrophobicContact CG-CD2 3.63Å; L435-L437 HydrophobicContact CG-CG 3.98Å; L437-M444 WeakPolarHBondContact O-CA 3.49Å; L437-L445 HydrophobicContact CB-CB 4.27Å; L437-L445 HydrophobicContact CB-CD1 4.48Å; L437-L445 PolarHBondContact N-O 3.46Å; L437-L445 PolarHBondContact O-N 3.03Å; L437-L447 HydrophobicContact CD1-CD1 3.95Å
438V96.7Very high93.5Very high0 Ų036.3 Ų36.30%018%0.176CC..EExtended strand (participates in β ladder)trans-121.3123.7172.4-175.90000109.1L18 T20 M25 I420 V421 A422 H443L18-V438 HydrophobicContact CB-CG1 4.23Å; L18-V438 HydrophobicContact CD2-CG1 4.26Å; L18-V438 HydrophobicContact CD2-CG2 3.77Å; L18-V438 HydrophobicContact CG-CG1 4.2Å; L18-V438 VanDerWaalsContact O-CG1 3.27Å; L18-V438 WeakPolarHBondContact O-CG1 3.34Å; T20-V438 HydrophobicContact CG2-CB 4.12Å; T20-V438 HydrophobicContact CG2-CG1 4.18Å; T20-V438 HydrophobicContact CG2-CG2 3.94Å; M25-V438 HydrophobicContact CE-CG2 3.77Å; M25-V438 HydrophobicContact SD-CG2 3.92Å; I420-V438 WeakPolarHBondContact CG2-O 3.5Å; V421-V438 WeakPolarHBondContact CG2-O 3.06Å; V421-V438 PolarHBondContact N-O 3.23Å; A422-V438 HydrophobicContact CB-CB 4.31Å; A422-V438 PolarHBondContact N-O 2.87Å; A422-V438 PolarHBondContact O-N 2.79Å; V438-H443 WeakPolarHBondContact CA-O 3.38Å
439S94.5Very high93.4Very high2 Ų236.5 Ų36.51%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-84.9163.9179.783.10000112.6D418 P419 A441 G442 H443D418-S439 VanDerWaalsContact CG-CB 3.49Å; D418-S439 VanDerWaalsContact CG-OG 3.31Å; D418-S439 WeakPolarHBondContact OD1-CB 3.27Å; D418-S439 PolarHBondContact OD1-OG 2.81Å; D418-S439 WeakPolarHBondContact OD2-CB 3.23Å; D418-S439 PolarHBondContact OD2-OG 2.93Å; P419-S439 CarbonylContact O-C 3.52Å; P419-S439 WeakPolarHBondContact O-CA 3.27Å; S439-A441 VanDerWaalsContact C-N 3.29Å; S439-A441 PolarHBondContact O-N 3.27Å; S439-A441 PolarHBondContact OG-N 2.8Å; S439-G442 WeakPolarHBondContact O-CA 3.47Å; S439-G442 PolarHBondContact O-N 2.85Å; S439-G442 PolarHBondContact OG-N 3.16Å; S439-H443 PolarHBondContact N-O 3.23Å; S439-H443 WeakPolarHBondContact OG-CB 3.44Å; S439-H443 PolarHBondContact OG-N 2.98Å
440Q92.6Very high93.5Very high134 Ų13437.1 Ų37.163%0.62618%0.179SC*.THydrogen-bonded Turntrans-64.3-33.9176.2-171.1177.40.900112.1D418 P419 V421 G442D418-Q440 PolarHBondContact OD1-N 3.19Å; P419-Q440 HydrophobicContact CG-CB 3.96Å; P419-Q440 PolarHBondContact O-N 2.74Å; V421-Q440 HydrophobicContact CG1-CB 3.78Å; V421-Q440 HydrophobicContact CG1-CG 4.22Å; Q440-G442 PolarHBondContact O-N 3.05Å
441A89.8Confident93.2Very high50 Ų5039.9 Ų39.941%0.41319%0.189SC..THydrogen-bonded Turntrans-71.7-7173.100000113.7D418 S439D418-A441 WeakPolarHBondContact OD1-CB 3.33Å; D418-A441 PolarHBondContact OD1-N 3.13Å; D418-A441 WeakPolarHBondContact OD2-CB 3.44Å; S439-A441 VanDerWaalsContact C-N 3.29Å; S439-A441 PolarHBondContact O-N 3.27Å; S439-A441 PolarHBondContact OG-N 2.8Å
442G90.2Very high92.8Very high2 Ų241.2 Ų41.22%0.02120%0.204CC..SBendtrans9121.5176.400000115N17 L18 S439 Q440N17-G442 WeakPolarHBondContact CA-O 3.28Å; N17-G442 PolarHBondContact N-O 2.88Å; N17-G442 VanDerWaalsContact N-O 3.15Å; L18-G442 PolarHBondContact N-O 3.02Å; L18-G442 WeakPolarHBondContact O-CA 3.47Å; S439-G442 WeakPolarHBondContact O-CA 3.47Å; S439-G442 PolarHBondContact O-N 2.85Å; S439-G442 PolarHBondContact OG-N 3.16Å; Q440-G442 PolarHBondContact O-N 3.05Å
443H91.7Very high92.6Very high24 Ų2436.1 Ų36.111%0.11118%0.18CC..  trans-83.6148.7175.4-52.1146.7000110.9D13 L14 Y412 D418 V438 S439D13-H443 WeakPolarHBondContact O-CA 3.44Å; L14-H443 VanDerWaalsContact CA-CD2 3.5Å; L14-H443 WeakPolarHBondContact CA-CD2 3.34Å; L14-H443 PolarHBondContact O-CD2 3Å; Y412-H443 AromaticContact CE2-CE1 3.93Å; Y412-H443 AromaticContact CZ-CE1 3.67Å; Y412-H443 AromaticContact CZ-ND1 3.73Å; Y412-H443 PolarHBondContact OH-CE1 2.86Å; Y412-H443 PolarHBondContact OH-ND1 2.65Å; D418-H443 IonicContact OD2-CE1 2.77Å; D418-H443 IonicContact OD2-CG 2.72Å; D418-H443 IonicContact OD2-ND1 3.52Å; D418-H443 PolarHBondContact OD2-ND1 2.86Å; V438-H443 WeakPolarHBondContact CA-O 3.38Å; S439-H443 PolarHBondContact N-O 3.23Å; S439-H443 WeakPolarHBondContact OG-CB 3.44Å; S439-H443 PolarHBondContact OG-N 2.98Å
444M94.4Very high92Very high1 Ų137.4 Ų37.41%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-115.8127.1175.9-172.5-177.468.900110.5K11 D13 V16 L38 F64 I436 L437 I446K11-M444 HydrophobicContact CD-CE 4.34Å; D13-M444 PolarHBondContact N-O 3.21Å; D13-M444 PolarHBondContact O-N 3.2Å; V16-M444 HydrophobicContact CG2-CB 4.11Å; V16-M444 HydrophobicContact CG2-CE 4.39Å; L38-M444 HydrophobicContact CD2-SD 4.1Å; F64-M444 HydrophobicContact CD1-CE 4.16Å; F64-M444 HydrophobicContact CE1-CE 4.23Å; F64-M444 HydrophobicContact CE1-SD 4.43Å; I436-M444 HydrophobicContact CG2-CG 4.37Å; L437-M444 WeakPolarHBondContact O-CA 3.49Å; M444-I446 HydrophobicContact CE-CD1 3.99Å; M444-I446 HydrophobicContact CE-CG1 4.34Å
445L94.7Very high91.5Very high3 Ų337.5 Ų37.52%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-114.4136.3172.3-60.699000110.7M1 L9 K11 I420 I436 L437M1-L445 HydrophobicContact CE-CD2 3.69Å; M1-L445 HydrophobicContact SD-CD2 4.32Å; L9-L445 HydrophobicContact CD1-CD2 4.24Å; K11-L445 WeakPolarHBondContact O-CA 3.38Å; I420-L445 HydrophobicContact CD1-CD1 4.27Å; I436-L445 WeakPolarHBondContact CA-O 3.43Å; L437-L445 HydrophobicContact CB-CB 4.27Å; L437-L445 HydrophobicContact CB-CD1 4.48Å; L437-L445 PolarHBondContact N-O 3.46Å; L437-L445 PolarHBondContact O-N 3.03Å
446I95.6Very high90.7Very high4 Ų442.1 Ų42.12%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-118.6113.4173.6-54.9178.5000107.3A10 K11 Y428 T434 I436 M444A10-I446 HydrophobicContact CB-CB 4.31Å; A10-I446 HydrophobicContact CB-CG2 4.05Å; A10-I446 WeakPolarHBondContact CB-O 3.3Å; A10-I446 PolarHBondContact N-O 3.07Å; K11-I446 HydrophobicContact CB-CB 4.18Å; K11-I446 HydrophobicContact CB-CD1 4.11Å; K11-I446 HydrophobicContact CB-CG1 4.24Å; K11-I446 HydrophobicContact CD-CD1 4.42Å; K11-I446 PolarHBondContact N-O 2.93Å; K11-I446 PolarHBondContact O-N 2.88Å; Y428-I446 HydrophobicContact CD1-CG2 4.38Å; Y428-I446 HydrophobicContact CE1-CD1 4Å; Y428-I446 HydrophobicContact CE1-CG2 4.4Å; T434-I446 HydrophobicContact CG2-CG2 3.62Å; I436-I446 HydrophobicContact CG1-CG1 4.46Å; I436-I446 HydrophobicContact CG1-CG2 4.46Å; M444-I446 HydrophobicContact CE-CD1 3.99Å; M444-I446 HydrophobicContact CE-CG1 4.34Å
447L95.4Very high89.9Confident0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.6128.2-179.3-52.4179.9000109.9I3 W7 L8 L9 C363 I364 T434 L435 L437I3-L447 HydrophobicContact CD1-CD1 4.34Å; I3-L447 HydrophobicContact CD1-CD2 3.54Å; W7-L447 HydrophobicContact CD2-CB 4.35Å; W7-L447 HydrophobicContact CE3-CB 3.55Å; W7-L447 HydrophobicContact CZ3-CB 4.14Å; L8-L447 CarbonylContact O-C 3.59Å; L8-L447 WeakPolarHBondContact O-CA 3.42Å; L9-L447 HydrophobicContact CB-CD2 4.15Å; L9-L447 HydrophobicContact CD1-CD2 3.42Å; L9-L447 VanDerWaalsContact CD1-CD2 3.42Å; L9-L447 HydrophobicContact CG-CD2 4.41Å; C363-L447 VanDerWaalsContact SG-CD1 3.56Å; I364-L447 HydrophobicContact CD1-CD1 4.18Å; I364-L447 HydrophobicContact CG1-CD1 4.47Å; T434-L447 CarbonylContact C-O 3.56Å; T434-L447 WeakPolarHBondContact CA-O 3.36Å; L435-L447 HydrophobicContact CB-CB 4.31Å; L435-L447 PolarHBondContact N-O 3.25Å; L435-L447 PolarHBondContact O-N 3.46Å; L437-L447 HydrophobicContact CD1-CD1 3.95Å
448I94.7Very high88.8Confident32 Ų3250.8 Ų50.816%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-105133.5176.7-59.6163.7000108.2L8 A10 E431 T434 K450L8-I448 HydrophobicContact CB-CB 4.35Å; L8-I448 PolarHBondContact N-O 3.37Å; L8-I448 PolarHBondContact O-N 2.92Å; A10-I448 HydrophobicContact CB-CD1 3.69Å; A10-I448 HydrophobicContact CB-CG1 4.12Å; E431-I448 HydrophobicContact CB-CG2 4.42Å; E431-I448 HydrophobicContact CG-CD1 3.9Å; E431-I448 HydrophobicContact CG-CG1 4.36Å; E431-I448 HydrophobicContact CG-CG2 4.34Å; T434-I448 HydrophobicContact CG2-CG1 4.33Å; I448-K450 PolarHBondContact O-N 2.56Å
449V92.8Very high87.2Confident11 Ų1155.9 Ų55.97%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-67.6128.4174.4-179.20000109.7W7 M328 F330 F425 N433 A453 F455W7-V449 HydrophobicContact CE3-CG2 3.93Å; W7-V449 HydrophobicContact CH2-CG2 3.35Å; W7-V449 HydrophobicContact CZ2-CG2 3.92Å; W7-V449 HydrophobicContact CZ3-CB 4.46Å; W7-V449 HydrophobicContact CZ3-CG2 3.35Å; M328-V449 HydrophobicContact CE-CG2 4.12Å; F330-V449 HydrophobicContact CE2-CB 4.25Å; F330-V449 HydrophobicContact CE2-CG1 3.62Å; F330-V449 HydrophobicContact CE2-CG2 4.4Å; F330-V449 HydrophobicContact CZ-CG1 3.97Å; F425-V449 HydrophobicContact CE2-CG2 4.03Å; F425-V449 HydrophobicContact CZ-CG2 4.34Å; N433-V449 HydrophobicContact CB-CB 3.9Å; N433-V449 HydrophobicContact CB-CG2 3.92Å; N433-V449 PolarHBondContact O-N 3.06Å; V449-A453 HydrophobicContact CG1-CB 3.69Å; V449-F455 HydrophobicContact CG1-CE2 3.79Å; V449-F455 HydrophobicContact CG1-CZ 4.03Å; V449-F455 HydrophobicContact CG2-CE2 4.33Å; V449-F455 HydrophobicContact CG2-CZ 4.4Å
450K91.3Very high85.7Confident60 Ų6058.5 Ų58.526%0.26130%0.301SS..  trans-63.3143.1173.6-72.1-175.5-168168.20110.3D5 S6 W7 L8 I448 T452 A453D5-K450 WeakPolarHBondContact O-CD 3.41Å; D5-K450 WeakPolarHBondContact O-CE 3.28Å; D5-K450 PolarHBondContact O-NZ 2.8Å; S6-K450 WeakPolarHBondContact O-CB 3.45Å; S6-K450 PolarHBondContact O-N 2.76Å; W7-K450 WeakPolarHBondContact O-CE 3.26Å; L8-K450 HydrophobicContact CD1-CG 3.9Å; L8-K450 HydrophobicContact CD2-CD 4.37Å; L8-K450 HydrophobicContact CD2-CG 4.17Å; L8-K450 HydrophobicContact CG-CD 4.28Å; L8-K450 HydrophobicContact CG-CG 3.57Å; I448-K450 PolarHBondContact O-N 2.56Å; K450-T452 PolarHBondContact O-N 2.7Å; K450-T452 VanDerWaalsContact O-N 3.1Å; K450-A453 HydrophobicContact CB-CB 4.29Å; K450-A453 WeakPolarHBondContact O-CB 3.48Å; K450-A453 PolarHBondContact O-N 2.65Å
451R84.3Confident84Confident257 Ų25754 Ų5497%0.9728%0.281SS*.THydrogen-bonded Turntrans-58.7-25.4175.2-64.8-179.967.2141.60.3113.6
452T82.9Confident82.2Confident128 Ų12857 Ų5779%0.78530%0.299SS*.THydrogen-bonded Turntrans-90.7-3178.156.60000113.3K450K450-T452 PolarHBondContact O-N 2.7Å; K450-T452 VanDerWaalsContact O-N 3.1Å
453A84.1Confident80.1Confident12 Ų1258.8 Ų58.810%0.09931%0.31CS..  trans-69.5136.7-178.700000110.7V449 K450 F455V449-A453 HydrophobicContact CG1-CB 3.69Å; K450-A453 HydrophobicContact CB-CB 4.29Å; K450-A453 WeakPolarHBondContact O-CB 3.48Å; K450-A453 PolarHBondContact O-N 2.65Å; A453-F455 HydrophobicContact CB-CE2 4.46Å; A453-F455 HydrophobicContact CB-CZ 4.33Å
454N79.8Confident77.8Confident65 Ų6566.3 Ų66.335%0.34834%0.338SS..  trans-133.5112.4175-164.35.6000109.3N334 I456N334-N454 PolarHBondContact ND2-ND2 2.91Å; N454-I456 HydrophobicContact CB-CG1 4.49Å; N454-I456 PolarHBondContact O-N 3.17Å
455F84.3Confident75.5Confident2 Ų271 Ų711%0.00937%0.367CS..  trans-88.283.7-178.3-61.8-64.7000109.8W7 M328 F330 Y341 I353 C360 D361 V449 A453W7-F455 AromaticContact CE2-CZ 3.92Å; W7-F455 HydrophobicContact CZ2-CE1 4.2Å; W7-F455 HydrophobicContact CZ2-CE2 4.5Å; W7-F455 AromaticContact CZ2-CZ 3.64Å; W7-F455 HydrophobicContact CZ2-CZ 3.64Å; W7-F455 AromaticContact NE1-CE1 3.91Å; W7-F455 AromaticContact NE1-CZ 3.98Å; M328-F455 HydrophobicContact CE-CD2 4.02Å; M328-F455 HydrophobicContact CE-CE2 3.5Å; M328-F455 VanDerWaalsContact CE-CE2 3.5Å; M328-F455 HydrophobicContact CE-CZ 3.99Å; F330-F455 AromaticContact CD1-CD2 3.73Å; F330-F455 HydrophobicContact CD1-CD2 3.73Å; F330-F455 HydrophobicContact CD1-CE2 4.22Å; F330-F455 HydrophobicContact CD2-CE2 4.46Å; F330-F455 AromaticContact CE1-CD2 3.57Å; F330-F455 HydrophobicContact CE1-CD2 3.57Å; F330-F455 AromaticContact CE1-CE2 3.97Å; F330-F455 HydrophobicContact CE1-CE2 3.97Å; F330-F455 HydrophobicContact CE2-CE2 4.25Å; F330-F455 HydrophobicContact CG-CD2 4.32Å; F330-F455 HydrophobicContact CG-CE2 4.45Å; F330-F455 HydrophobicContact CZ-CD2 4.07Å; F330-F455 AromaticContact CZ-CE2 3.99Å; F330-F455 HydrophobicContact CZ-CE2 3.99Å; Y341-F455 HydrophobicContact CD1-CB 4.26Å; Y341-F455 HydrophobicContact CE1-CB 3.65Å; Y341-F455 WeakPolarHBondContact CE1-O 3.44Å; Y341-F455 PolarHBondContact OH-O 2.8Å; I353-F455 HydrophobicContact CD1-CE1 4.04Å; I353-F455 HydrophobicContact CD1-CZ 4.36Å; C360-F455 HydrophobicContact CB-CB 4.12Å; D361-F455 HydrophobicContact CB-CD1 3.76Å; D361-F455 HydrophobicContact CB-CE1 3.88Å; V449-F455 HydrophobicContact CG1-CE2 3.79Å; V449-F455 HydrophobicContact CG1-CZ 4.03Å; V449-F455 HydrophobicContact CG2-CE2 4.33Å; V449-F455 HydrophobicContact CG2-CZ 4.4Å; A453-F455 HydrophobicContact CB-CE2 4.46Å; A453-F455 HydrophobicContact CB-CZ 4.33Å
456I81Confident73.3Confident98 Ų9874 Ų7450%0.50338%0.382SS..  trans-90.2133.1177-55.5171.8000108.1N454 M458N454-I456 HydrophobicContact CB-CG1 4.49Å; N454-I456 PolarHBondContact O-N 3.17Å; I456-M458 PolarHBondContact O-N 2.96Å
457P80Confident71Confident55 Ų5577.5 Ų77.536%0.35742%0.419SS..  trans-48.2110.2167.4-30.938.8000111.4H358H358-P457 HydrophobicContact CB-CB 3.67Å; H358-P457 HydrophobicContact CB-CG 4.38Å
458M73.2Confident68.5Low127 Ų12785.7 Ų85.763%0.62646%0.455SS*.  trans-86-43.3-178.1-72.8-168.7-88.700111.7L359 C360 I456L359-M458 PolarHBondContact O-N 3.05Å; C360-M458 WeakPolarHBondContact O-CE 3.49Å; I456-M458 PolarHBondContact O-N 2.96Å
459D64.3Low66.2Low106 Ų10691.3 Ų91.357%0.56748%0.484SS*.EExtended strand (participates in β ladder)trans-145.8149.3-171.1-158.71000111.3H358 L359H358-D459 WeakPolarHBondContact CA-O 3.16Å; L359-D459 PolarHBondContact N-O 3.24Å; L359-D459 VanDerWaalsContact N-O 3.12Å
460V62.2Low64.2Low58 Ų5896.2 Ų96.235%0.35251%0.51SS..EExtended strand (participates in β ladder)trans-90.1113167.2-162.50000106.2Q357 H358 S462Q357-V460 HydrophobicContact CG-CG1 4.23Å; H358-V460 WeakPolarHBondContact CE1-CG2 3.32Å; H358-V460 WeakPolarHBondContact ND1-CG2 3.47Å; V460-S462 PolarHBondContact O-N 2.72Å
461I58.2Low62.1Low40 Ų40100.4 Ų100.421%0.20554%0.535CS..  trans-62.7117.1168.9-57.1-173.7000106.1V316 Y354 S463V316-I461 HydrophobicContact CG1-CB 3.54Å; V316-I461 HydrophobicContact CG1-CD1 3.76Å; V316-I461 HydrophobicContact CG1-CG1 4.17Å; V316-I461 HydrophobicContact CG1-CG2 3.51Å; V316-I461 HydrophobicContact CG2-CB 4.36Å; Y354-I461 HydrophobicContact CE1-CD1 3.42Å; Y354-I461 VanDerWaalsContact CE1-CD1 3.42Å; Y354-I461 HydrophobicContact CE1-CG1 4.31Å; Y354-I461 WeakPolarHBondContact OH-CD1 3.46Å; I461-S463 PolarHBondContact O-N 2.91Å
462S52.1Low61Low113 Ų11394 Ų9479%0.7952%0.519SS*.  trans-38.396.4-169.3-59.20000111.7V460 R464V460-S462 PolarHBondContact O-N 2.72Å; S462-R464 PolarHBondContact O-N 2.82Å
463S45.5Very low60.2Low38 Ų3895.2 Ų95.227%0.26652%0.521SS..  trans-74.5115.5-178.662.80000106.7I461 T465I461-S463 PolarHBondContact O-N 2.91Å; S463-T465 VanDerWaalsContact C-N 3.28Å; S463-T465 PolarHBondContact O-N 3.29Å
464R43.5Very low59.5Low182 Ų182101.5 Ų101.569%0.68755%0.552SS**  trans-71.995.7160.2-69.6-171.2-174-1464.8106.1S462 I466S462-R464 PolarHBondContact O-N 2.82Å; R464-I466 PolarHBondContact O-N 3.12Å
465T45.2Very low59.1Low99 Ų99101.2 Ų101.261%0.60755%0.553SS**  trans-49.3117.2175.9-35.50000107.8S463 G467 K468S463-T465 VanDerWaalsContact C-N 3.28Å; S463-T465 PolarHBondContact O-N 3.29Å; T465-G467 PolarHBondContact O-N 2.95Å; T465-K468 PolarHBondContact O-N 2.94Å
466I49.4Very low58.8Low68 Ų68109.5 Ų109.535%0.34959%0.589SS.*THydrogen-bonded Turntrans-58.9-17-168.9-63.9163.3000111.9P312 R315 R464P312-I466 HydrophobicContact CB-CD1 3.76Å; P312-I466 HydrophobicContact CB-CG2 4.44Å; P312-I466 HydrophobicContact CG-CG2 4.48Å; R315-I466 HydrophobicContact CB-CD1 3.81Å; R315-I466 HydrophobicContact CB-CG1 4.02Å; R464-I466 PolarHBondContact O-N 3.12Å
467G46.6Very low58.8Low76 Ų76114 Ų11478%0.78461%0.605SS**THydrogen-bonded Turntrans-81-7.9-17900000117.2T465T465-G467 PolarHBondContact O-N 2.95Å
468K44.2Very low59.1Low173 Ų173115.8 Ų115.875%0.75262%0.619SS**  trans-124.592169.9-94.6-179.5175.7177.50108.2T465 D470T465-K468 PolarHBondContact O-N 2.94Å; K468-D470 PolarHBondContact O-N 3.02Å
469L45.2Very low59.6Low150 Ų150114.1 Ų114.179%0.78561%0.613SS**  trans-55.7105148.1-159.979.5000103.8N471L469-N471 PolarHBondContact O-N 3.31Å
470D50.1Low60.4Low114 Ų114113.4 Ų113.461%0.6161%0.608SS**  trans-44.6117.7170.2-75.4-41.6000105K468 L472K468-D470 PolarHBondContact O-N 3.02Å; D470-L472 VanDerWaalsContact C-N 3.27Å; D470-L472 PolarHBondContact O-N 3.23Å
471N49Very low61.6Low147 Ų147117.2 Ų117.279%0.78662%0.62SS**  trans-51.3104.6-176.1-149.811000104.1L469 N473L469-N471 PolarHBondContact O-N 3.31Å; N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 2.94Å
472L59.5Low63.1Low123 Ų123120.5 Ų120.564%0.64464%0.636SS**  trans-55.9113.1-178.5-86.7151.9000102.3D470 I474D470-L472 VanDerWaalsContact C-N 3.27Å; D470-L472 PolarHBondContact O-N 3.23Å; L472-I474 HydrophobicContact CB-CG1 4.04Å; L472-I474 WeakPolarHBondContact O-CG1 3.41Å; L472-I474 PolarHBondContact O-N 3.14Å
473N67.8Low64.7Low154 Ų154119.9 Ų119.982%0.82462%0.624SS**  trans-71.374.7179.5-84.4-26.9000105.5N471 P475N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 2.94Å; N473-P475 WeakPolarHBondContact O-CD 3.38Å
474I68.7Low66.7Low144 Ų144121.1 Ų121.174%0.73863%0.627SS**  trans-65.3108.4180-63.6160.9000103.9L472L472-I474 HydrophobicContact CB-CG1 4.04Å; L472-I474 WeakPolarHBondContact O-CG1 3.41Å; L472-I474 PolarHBondContact O-N 3.14Å
475P72.2Confident69Low58 Ų58114.5 Ų114.538%0.37761%0.607SS.*  trans-62.3147.9-179.226.2-32.2000108.8N473 K477 L480N473-P475 WeakPolarHBondContact O-CD 3.38Å; P475-K477 PolarHBondContact O-N 2.76Å; P475-L480 HydrophobicContact CG-CB 4.39Å; P475-L480 HydrophobicContact CG-CD1 3.64Å
476K77.4Confident71.2Confident176 Ų176113 Ų11377%0.76560%0.598SS**  trans-53.2140.9171-68.9-176.3179.1-1800109S478 N479 L480K476-S478 PolarHBondContact O-N 3.08Å; K476-N479 PolarHBondContact O-N 2.72Å; K476-L480 PolarHBondContact O-N 2.88Å; K476-L480 VanDerWaalsContact O-N 3.15Å
477K80.9Confident73.1Confident194 Ų194115.5 Ų115.584%0.84360%0.603SS**Hα-helixtrans-46.7-39-179.6-70.9-175.9177.4-179.40112.7P475 N479 L480 F481P475-K477 PolarHBondContact O-N 2.76Å; K477-N479 PolarHBondContact O-N 2.61Å; K477-L480 PolarHBondContact O-N 3.32Å; K477-F481 PolarHBondContact O-N 2.91Å
478S86.5Confident75.4Confident92 Ų92116 Ų11664%0.64359%0.585SS**Hα-helixtrans-62.2-41.3177.2-420000113.4K476 F481 M482K476-S478 PolarHBondContact O-N 3.08Å; S478-F481 PolarHBondContact O-N 3.07Å; S478-M482 WeakPolarHBondContact O-CG 3.37Å; S478-M482 PolarHBondContact O-N 2.92Å; S478-M482 VanDerWaalsContact O-N 3.08Å
479N82.8Confident77.6Confident92 Ų92114.5 Ų114.549%0.49258%0.58SS.*Hα-helixtrans-75-35-178.7-143.4-2.9000111.2K476 K477 F481 M482 N483K476-N479 PolarHBondContact O-N 2.72Å; K477-N479 PolarHBondContact O-N 2.61Å; N479-F481 VanDerWaalsContact C-N 3.33Å; N479-M482 PolarHBondContact O-N 2.84Å; N479-N483 WeakPolarHBondContact O-CB 3.4Å; N479-N483 PolarHBondContact O-N 2.87Å; N479-N483 PolarHBondContact O-ND2 3.32Å
480L81.9Confident80Confident91 Ų91113.7 Ų113.748%0.47658%0.576SS.*Hα-helixtrans-61.2-43.3171.4-163.4102.1000111.2P475 K476 K477 N483 L484P475-L480 HydrophobicContact CG-CB 4.39Å; P475-L480 HydrophobicContact CG-CD1 3.64Å; K476-L480 PolarHBondContact O-N 2.88Å; K476-L480 VanDerWaalsContact O-N 3.15Å; K477-L480 PolarHBondContact O-N 3.32Å; L480-N483 PolarHBondContact O-N 3.16Å; L480-L484 HydrophobicContact CD2-CD1 3.98Å; L480-L484 HydrophobicContact CG-CD1 4.28Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 3.49Å
481F87.8Confident82.1Confident138 Ų138110.9 Ų110.961%0.60556%0.561SS**Hα-helixtrans-63.1-43.4177-176.3-95.3000112.1K477 S478 N479 L484 T485K477-F481 PolarHBondContact O-N 2.91Å; S478-F481 PolarHBondContact O-N 3.07Å; N479-F481 VanDerWaalsContact C-N 3.33Å; F481-L484 PolarHBondContact O-N 2.96Å; F481-T485 WeakPolarHBondContact O-CB 3.25Å; F481-T485 PolarHBondContact O-N 2.7Å; F481-T485 PolarHBondContact O-OG1 2.89Å
482M87.9Confident84.2Confident108 Ų108106.1 Ų106.153%0.53254%0.542SS..Hα-helixtrans-61.6-48.8175.8-70.5-57.5-60.800111.7S478 N479 L484 T485 T486S478-M482 WeakPolarHBondContact O-CG 3.37Å; S478-M482 PolarHBondContact O-N 2.92Å; S478-M482 VanDerWaalsContact O-N 3.08Å; N479-M482 PolarHBondContact O-N 2.84Å; M482-L484 VanDerWaalsContact C-N 3.32Å; M482-L484 PolarHBondContact O-N 3.42Å; M482-T485 WeakPolarHBondContact O-CB 3.48Å; M482-T485 PolarHBondContact O-N 3.36Å; M482-T485 VanDerWaalsContact O-N 3.16Å; M482-T486 PolarHBondContact O-N 2.69Å; M482-T486 PolarHBondContact O-OG1 3.03Å; M482-T486 VanDerWaalsContact O-OG1 3.04Å
483N86.2Confident85.8Confident100 Ų100104.3 Ų104.354%0.53554%0.538SS..Hα-helixtrans-62-38.9177.9-72.4-16.7000112.3N479 L480 R487N479-N483 WeakPolarHBondContact O-CB 3.4Å; N479-N483 PolarHBondContact O-N 2.87Å; N479-N483 PolarHBondContact O-ND2 3.32Å; L480-N483 PolarHBondContact O-N 3.16Å; N483-R487 VanDerWaalsContact O-CB 3.25Å; N483-R487 WeakPolarHBondContact O-CB 3.31Å; N483-R487 PolarHBondContact O-N 2.85Å
484L87.4Confident87Confident65 Ų65103.2 Ų103.234%0.3453%0.528SS..Hα-helixtrans-60.9-48.1172.9-94.4157.4000111.2L480 F481 M482 T486 R487 E488L480-L484 HydrophobicContact CD2-CD1 3.98Å; L480-L484 HydrophobicContact CG-CD1 4.28Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 3.49Å; F481-L484 PolarHBondContact O-N 2.96Å; M482-L484 VanDerWaalsContact C-N 3.32Å; M482-L484 PolarHBondContact O-N 3.42Å; L484-T486 PolarHBondContact O-N 2.99Å; L484-R487 PolarHBondContact O-N 2.89Å; L484-E488 WeakPolarHBondContact O-CB 3.35Å; L484-E488 VanDerWaalsContact O-CG 3.26Å; L484-E488 WeakPolarHBondContact O-CG 3.39Å; L484-E488 PolarHBondContact O-N 2.86Å
485T91.8Very high88.1Confident42 Ų4299.5 Ų99.526%0.25851%0.508SS..Hα-helixtrans-60.3-45.8179.6-54.90000111.1F481 M482 E488 Q489F481-T485 WeakPolarHBondContact O-CB 3.25Å; F481-T485 PolarHBondContact O-N 2.7Å; F481-T485 PolarHBondContact O-OG1 2.89Å; M482-T485 WeakPolarHBondContact O-CB 3.48Å; M482-T485 PolarHBondContact O-N 3.36Å; M482-T485 VanDerWaalsContact O-N 3.16Å; T485-E488 PolarHBondContact O-N 3.49Å; T485-Q489 WeakPolarHBondContact O-CG 3.27Å; T485-Q489 PolarHBondContact O-N 3.03Å
486T91.6Very high89.2Confident67 Ų67104.2 Ų104.241%0.41152%0.52SS..Hα-helixtrans-64.8-42.2177.8-49.70000111.9M482 L484 E488 Q489 L490M482-T486 PolarHBondContact O-N 2.69Å; M482-T486 PolarHBondContact O-OG1 3.03Å; M482-T486 VanDerWaalsContact O-OG1 3.04Å; L484-T486 PolarHBondContact O-N 2.99Å; T486-E488 VanDerWaalsContact C-N 3.31Å; T486-E488 PolarHBondContact O-N 2.94Å; T486-Q489 PolarHBondContact O-N 3.06Å; T486-L490 HydrophobicContact CG2-CD1 4.25Å; T486-L490 WeakPolarHBondContact O-CG 3.39Å; T486-L490 PolarHBondContact O-N 3.28Å
487R90.3Very high90.1Very high122 Ų122104.8 Ų104.846%0.4652%0.517SS..Hα-helixtrans-62.5-39.8175.4-175.9-16868.986.75.6111.6N483 L484 N491N483-R487 VanDerWaalsContact O-CB 3.25Å; N483-R487 WeakPolarHBondContact O-CB 3.31Å; N483-R487 PolarHBondContact O-N 2.85Å; L484-R487 PolarHBondContact O-N 2.89Å; R487-N491 WeakPolarHBondContact O-CB 3.46Å; R487-N491 PolarHBondContact O-N 3.08Å; R487-N491 PolarHBondContact O-ND2 3.06Å
488E93.7Very high90.7Very high87 Ų87100.3 Ų100.341%0.40750%0.499SS..Hα-helixtrans-66.7-42.7177.7-78178.2-167.200111.5L484 T485 T486 L490 N491 A492 M495L484-E488 WeakPolarHBondContact O-CB 3.35Å; L484-E488 VanDerWaalsContact O-CG 3.26Å; L484-E488 WeakPolarHBondContact O-CG 3.39Å; L484-E488 PolarHBondContact O-N 2.86Å; T485-E488 PolarHBondContact O-N 3.49Å; T486-E488 VanDerWaalsContact C-N 3.31Å; T486-E488 PolarHBondContact O-N 2.94Å; E488-L490 PolarHBondContact O-N 2.76Å; E488-N491 CarbonylContact O-C 3.5Å; E488-N491 PolarHBondContact O-N 2.91Å; E488-A492 WeakPolarHBondContact O-CA 3.19Å; E488-A492 PolarHBondContact O-N 3.37Å; E488-M495 VanDerWaalsContact CA-CE 3.45Å; E488-M495 HydrophobicContact CB-CE 3.67Å; E488-M495 HydrophobicContact CB-SD 4.27Å; E488-M495 HydrophobicContact CG-CE 3.87Å; E488-M495 HydrophobicContact CG-SD 3.8Å; E488-M495 WeakPolarHBondContact O-CE 3.43Å
489Q91.8Very high91.1Very high140 Ų140101.8 Ų101.865%0.65449%0.494SS*.Hα-helixtrans-61.5-45.3174.9-74.1177.5-5.300112.2T485 T486 N491T485-Q489 WeakPolarHBondContact O-CG 3.27Å; T485-Q489 PolarHBondContact O-N 3.03Å; T486-Q489 PolarHBondContact O-N 3.06Å; Q489-N491 VanDerWaalsContact C-N 3.32Å; Q489-N491 PolarHBondContact O-N 2.91Å
490L94.6Very high91.8Very high134 Ų13499.1 Ų99.170%0.70248%0.481SS*.Hα-helixtrans-67.3-31179.8-69.4171.7000113T486 E488T486-L490 HydrophobicContact CG2-CD1 4.25Å; T486-L490 WeakPolarHBondContact O-CG 3.39Å; T486-L490 PolarHBondContact O-N 3.28Å; E488-L490 PolarHBondContact O-N 2.76Å
491N93.3Very high92.4Very high54 Ų5497.9 Ų97.929%0.28948%0.475SS..THydrogen-bonded Turntrans-108.414.7-175.6-61.5-62.2000113.9R487 E488 Q489 P493 Q494 M495R487-N491 WeakPolarHBondContact O-CB 3.46Å; R487-N491 PolarHBondContact O-N 3.08Å; R487-N491 PolarHBondContact O-ND2 3.06Å; E488-N491 CarbonylContact O-C 3.5Å; E488-N491 PolarHBondContact O-N 2.91Å; Q489-N491 VanDerWaalsContact C-N 3.32Å; Q489-N491 PolarHBondContact O-N 2.91Å; N491-P493 VanDerWaalsContact C-CD 3.42Å; N491-P493 VanDerWaalsContact C-N 3.34Å; N491-Q494 PolarHBondContact O-N 3.35Å; N491-M495 PolarHBondContact O-N 3.24Å
492A93.7Very high92.8Very high47 Ų4795 Ų9539%0.38847%0.466SS..Hα-helixtrans-50.5-43.2-176.300000114.2E488 Q494 M495 Y496E488-A492 WeakPolarHBondContact O-CA 3.19Å; E488-A492 PolarHBondContact O-N 3.37Å; A492-Q494 PolarHBondContact O-N 2.74Å; A492-M495 PolarHBondContact O-N 2.85Å; A492-Y496 WeakPolarHBondContact O-CB 3.5Å; A492-Y496 PolarHBondContact O-N 2.87Å
493P93.7Very high93.2Very high85 Ų8593 Ų9355%0.55246%0.457SS*.Hα-helixtrans-64.9-37.5179-21.633.9000113.5N491 R497N491-P493 VanDerWaalsContact C-CD 3.42Å; N491-P493 VanDerWaalsContact C-N 3.34Å; P493-R497 WeakPolarHBondContact O-CG 3.48Å; P493-R497 PolarHBondContact O-N 2.89Å; P493-R497 VanDerWaalsContact O-N 3.15Å
494Q92.4Very high93.7Very high131 Ų13196.2 Ų96.261%0.61246%0.461SS*.Hα-helixtrans-70.2-43.5178.2-71.3-178.5-1800111.1N491 A492 Y496 R497 Q498N491-Q494 PolarHBondContact O-N 3.35Å; A492-Q494 PolarHBondContact O-N 2.74Å; Q494-Y496 VanDerWaalsContact C-N 3.32Å; Q494-Y496 PolarHBondContact O-N 3.09Å; Q494-R497 PolarHBondContact O-N 3.4Å; Q494-Q498 PolarHBondContact O-N 2.88Å
495M91.9Very high94Very high67 Ų6798.8 Ų98.833%0.3347%0.47SS..Hα-helixtrans-62.3-40.4176.7-66.8-170.2-56.800111.9E488 N491 A492 Q498 F499E488-M495 VanDerWaalsContact CA-CE 3.45Å; E488-M495 HydrophobicContact CB-CE 3.67Å; E488-M495 HydrophobicContact CB-SD 4.27Å; E488-M495 HydrophobicContact CG-CE 3.87Å; E488-M495 HydrophobicContact CG-SD 3.8Å; E488-M495 WeakPolarHBondContact O-CE 3.43Å; N491-M495 PolarHBondContact O-N 3.24Å; A492-M495 PolarHBondContact O-N 2.85Å; M495-Q498 PolarHBondContact O-N 2.92Å; M495-F499 WeakPolarHBondContact O-CB 3.47Å; M495-F499 PolarHBondContact O-N 3.02Å
496Y95.7Very high94.2Very high157 Ų157101.4 Ų101.462%0.61648%0.482SS*.Hα-helixtrans-63.1-42.4175.7-178-104.6000112.1A492 Q494 Q498 F499 V500A492-Y496 WeakPolarHBondContact O-CB 3.5Å; A492-Y496 PolarHBondContact O-N 2.87Å; Q494-Y496 VanDerWaalsContact C-N 3.32Å; Q494-Y496 PolarHBondContact O-N 3.09Å; Y496-Q498 VanDerWaalsContact C-N 3.35Å; Y496-Q498 PolarHBondContact O-N 2.86Å; Y496-F499 PolarHBondContact O-N 3.06Å; Y496-V500 HydrophobicContact CD1-CG2 4.2Å; Y496-V500 HydrophobicContact CD2-CG2 4.46Å; Y496-V500 HydrophobicContact CE1-CG2 3.76Å; Y496-V500 HydrophobicContact CE2-CG2 4.05Å; Y496-V500 VanDerWaalsContact O-CG2 3.3Å; Y496-V500 WeakPolarHBondContact O-CG2 3.49Å; Y496-V500 PolarHBondContact O-N 2.93Å
497R95.4Very high94.4Very high188 Ų188104.3 Ų104.371%0.70949%0.489SS*.Hα-helixtrans-61.6-43175.7-73.4174.3-176.2-179.72.1112P493 Q494 V500 N501P493-R497 WeakPolarHBondContact O-CG 3.48Å; P493-R497 PolarHBondContact O-N 2.89Å; P493-R497 VanDerWaalsContact O-N 3.15Å; Q494-R497 PolarHBondContact O-N 3.4Å; R497-V500 PolarHBondContact O-N 3.28Å; R497-N501 WeakPolarHBondContact O-CB 3.22Å; R497-N501 PolarHBondContact O-N 2.94Å
498Q93.5Very high94.7Very high100 Ų100107.4 Ų107.447%0.46750%0.5SS..Hα-helixtrans-63.1-48.3176.3-175.358.831.200111.1Q494 M495 Y496 V500 N501 D502Q494-Q498 PolarHBondContact O-N 2.88Å; M495-Q498 PolarHBondContact O-N 2.92Å; Y496-Q498 VanDerWaalsContact C-N 3.35Å; Y496-Q498 PolarHBondContact O-N 2.86Å; Q498-V500 VanDerWaalsContact C-N 3.32Å; Q498-V500 PolarHBondContact O-N 2.86Å; Q498-N501 WeakPolarHBondContact O-CB 3.34Å; Q498-N501 PolarHBondContact O-N 3.44Å; Q498-D502 VanDerWaalsContact NE2-CG 3.34Å; Q498-D502 PolarHBondContact NE2-OD1 3.2Å; Q498-D502 PolarHBondContact NE2-OD2 2.79Å; Q498-D502 VanDerWaalsContact NE2-OD2 3.09Å; Q498-D502 VanDerWaalsContact O-CG 3.31Å; Q498-D502 PolarHBondContact O-N 2.79Å
499F95.7Very high94.6Very high123 Ų123106.3 Ų106.354%0.53950%0.503SS..Hα-helixtrans-55.5-45.3175.5169.9-100000112.4M495 Y496 N501 D502 L503M495-F499 WeakPolarHBondContact O-CB 3.47Å; M495-F499 PolarHBondContact O-N 3.02Å; Y496-F499 PolarHBondContact O-N 3.06Å; F499-N501 VanDerWaalsContact C-N 3.32Å; F499-N501 PolarHBondContact O-N 2.85Å; F499-D502 PolarHBondContact O-N 2.97Å; F499-L503 HydrophobicContact CE1-CD2 4.31Å; F499-L503 HydrophobicContact CZ-CD2 4.4Å; F499-L503 VanDerWaalsContact O-CB 3.26Å; F499-L503 WeakPolarHBondContact O-CB 3.33Å; F499-L503 PolarHBondContact O-N 3.27Å
500V96.8Very high94.6Very high35 Ų35104.5 Ų104.521%0.21250%0.496CS..Hα-helixtrans-63.9-38.8177.3170.30000111.3Y496 R497 Q498 R504Y496-V500 HydrophobicContact CD1-CG2 4.2Å; Y496-V500 HydrophobicContact CD2-CG2 4.46Å; Y496-V500 HydrophobicContact CE1-CG2 3.76Å; Y496-V500 HydrophobicContact CE2-CG2 4.05Å; Y496-V500 VanDerWaalsContact O-CG2 3.3Å; Y496-V500 WeakPolarHBondContact O-CG2 3.49Å; Y496-V500 PolarHBondContact O-N 2.93Å; R497-V500 PolarHBondContact O-N 3.28Å; Q498-V500 VanDerWaalsContact C-N 3.32Å; Q498-V500 PolarHBondContact O-N 2.86Å; V500-R504 VanDerWaalsContact O-CG 3.3Å; V500-R504 WeakPolarHBondContact O-CG 3.39Å; V500-R504 PolarHBondContact O-N 3.44Å; V500-R504 VanDerWaalsContact O-N 3.09Å
501N94.6Very high94.5Very high65 Ų65101.8 Ų101.835%0.34849%0.489SS..Hα-helixtrans-65.4-47.4176.8-16125.1000111.2R497 Q498 F499 L503 R504 F505R497-N501 WeakPolarHBondContact O-CB 3.22Å; R497-N501 PolarHBondContact O-N 2.94Å; Q498-N501 WeakPolarHBondContact O-CB 3.34Å; Q498-N501 PolarHBondContact O-N 3.44Å; F499-N501 VanDerWaalsContact C-N 3.32Å; F499-N501 PolarHBondContact O-N 2.85Å; N501-L503 VanDerWaalsContact C-N 3.32Å; N501-L503 PolarHBondContact O-N 3.29Å; N501-R504 WeakPolarHBondContact O-CB 3.35Å; N501-R504 PolarHBondContact O-N 3.03Å; N501-F505 VanDerWaalsContact O-CD2 3.27Å; N501-F505 WeakPolarHBondContact O-CD2 3.46Å; N501-F505 PolarHBondContact O-N 2.86Å
502D96.1Very high94.2Very high79 Ų79102.8 Ų102.842%0.42250%0.5SS..Hα-helixtrans-63.5-38.7178.6-65.4-22.4000111.4Q498 F499 R504 F505 L506Q498-D502 VanDerWaalsContact NE2-CG 3.34Å; Q498-D502 PolarHBondContact NE2-OD1 3.2Å; Q498-D502 PolarHBondContact NE2-OD2 2.79Å; Q498-D502 VanDerWaalsContact NE2-OD2 3.09Å; Q498-D502 VanDerWaalsContact O-CG 3.31Å; Q498-D502 PolarHBondContact O-N 2.79Å; F499-D502 PolarHBondContact O-N 2.97Å; D502-R504 VanDerWaalsContact C-N 3.3Å; D502-R504 PolarHBondContact O-N 3.44Å; D502-F505 PolarHBondContact O-N 2.86Å; D502-L506 WeakPolarHBondContact O-CB 3.27Å; D502-L506 PolarHBondContact O-N 2.94Å
503L96.8Very high93.5Very high64 Ų64103.7 Ų103.734%0.33550%0.501SS..Hα-helixtrans-62.8-36.1173.5-175.364.2000112.1F499 N501 L506 K507F499-L503 HydrophobicContact CE1-CD2 4.31Å; F499-L503 HydrophobicContact CZ-CD2 4.4Å; F499-L503 VanDerWaalsContact O-CB 3.26Å; F499-L503 WeakPolarHBondContact O-CB 3.33Å; F499-L503 PolarHBondContact O-N 3.27Å; N501-L503 VanDerWaalsContact C-N 3.32Å; N501-L503 PolarHBondContact O-N 3.29Å; L503-L506 PolarHBondContact O-N 2.77Å; L503-K507 WeakPolarHBondContact O-CG 3.2Å; L503-K507 PolarHBondContact O-N 3Å
504R96.3Very high92.9Very high169 Ų169104.7 Ų104.764%0.63850%0.497SS*.Hα-helixtrans-66.7-43.4174.3-71168.6-174-179.51.2111.2V500 N501 D502 L506 K507 R508V500-R504 VanDerWaalsContact O-CG 3.3Å; V500-R504 WeakPolarHBondContact O-CG 3.39Å; V500-R504 PolarHBondContact O-N 3.44Å; V500-R504 VanDerWaalsContact O-N 3.09Å; N501-R504 WeakPolarHBondContact O-CB 3.35Å; N501-R504 PolarHBondContact O-N 3.03Å; D502-R504 VanDerWaalsContact C-N 3.3Å; D502-R504 PolarHBondContact O-N 3.44Å; R504-L506 VanDerWaalsContact C-N 3.33Å; R504-K507 PolarHBondContact O-N 3.22Å; R504-R508 WeakPolarHBondContact O-CB 3.48Å; R504-R508 PolarHBondContact O-N 2.86Å
505F94.6Very high92.3Very high119 Ų119102.9 Ų102.952%0.52249%0.49SS..Hα-helixtrans-61.2-43.1174.5-80.7-71.6000111.8N501 D502 R508 S509N501-F505 VanDerWaalsContact O-CD2 3.27Å; N501-F505 WeakPolarHBondContact O-CD2 3.46Å; N501-F505 PolarHBondContact O-N 2.86Å; D502-F505 PolarHBondContact O-N 2.86Å; F505-R508 PolarHBondContact O-N 2.85Å; F505-S509 VanDerWaalsContact O-CB 3.32Å; F505-S509 WeakPolarHBondContact O-CB 3.12Å; F505-S509 PolarHBondContact O-N 3.01Å
506L95.6Very high91.4Very high97 Ų97103.7 Ų103.751%0.50850%0.496SS..Hα-helixtrans-61.7-47.4176.7-177.962000111.4D502 L503 R504 R508 S509 I510D502-L506 WeakPolarHBondContact O-CB 3.27Å; D502-L506 PolarHBondContact O-N 2.94Å; L503-L506 PolarHBondContact O-N 2.77Å; R504-L506 VanDerWaalsContact C-N 3.33Å; L506-R508 PolarHBondContact O-N 3.18Å; L506-S509 WeakPolarHBondContact O-CB 3.37Å; L506-S509 PolarHBondContact O-N 2.86Å; L506-I510 HydrophobicContact CD1-CD1 4.18Å; L506-I510 HydrophobicContact CD1-CG1 4.34Å; L506-I510 HydrophobicContact CG-CD1 3.91Å; L506-I510 HydrophobicContact CG-CG1 4.49Å; L506-I510 VanDerWaalsContact O-CG1 3.29Å; L506-I510 WeakPolarHBondContact O-CG1 3.48Å; L506-I510 PolarHBondContact O-N 2.98Å
507K97Very high90.1Very high128 Ų12899.2 Ų99.256%0.55748%0.481SS*.Hα-helixtrans-58.5-45.7176-76.1178.6178.1-175.60111.9L503 R504 S509 I510 S511L503-K507 WeakPolarHBondContact O-CG 3.2Å; L503-K507 PolarHBondContact O-N 3Å; R504-K507 PolarHBondContact O-N 3.22Å; K507-S509 VanDerWaalsContact C-N 3.34Å; K507-S509 PolarHBondContact O-N 2.76Å; K507-I510 PolarHBondContact O-N 2.76Å; K507-S511 WeakPolarHBondContact O-CB 3.36Å; K507-S511 PolarHBondContact O-N 3.33Å; K507-S511 PolarHBondContact O-OG 2.6Å; K507-S511 VanDerWaalsContact O-OG 3.1Å
508R94.7Very high88.8Confident186 Ų18693.5 Ų93.570%0.70247%0.465SS*.Hα-helixtrans-61-43.5175.5-179.2-177.8175.2-178.2-0.4111.5R504 F505 L506 S511 S512R504-R508 WeakPolarHBondContact O-CB 3.48Å; R504-R508 PolarHBondContact O-N 2.86Å; F505-R508 PolarHBondContact O-N 2.85Å; L506-R508 PolarHBondContact O-N 3.18Å; R508-S511 PolarHBondContact O-N 3.31Å; R508-S512 VanDerWaalsContact O-CB 3.3Å; R508-S512 WeakPolarHBondContact O-CB 3.49Å; R508-S512 PolarHBondContact O-N 3.03Å
509S93.2Very high87.7Confident65 Ų6594.5 Ų94.546%0.45547%0.47SS..Hα-helixtrans-61.8-46.5178-173.50000111.2F505 L506 K507 S511 S512 T513F505-S509 VanDerWaalsContact O-CB 3.32Å; F505-S509 WeakPolarHBondContact O-CB 3.12Å; F505-S509 PolarHBondContact O-N 3.01Å; L506-S509 WeakPolarHBondContact O-CB 3.37Å; L506-S509 PolarHBondContact O-N 2.86Å; K507-S509 VanDerWaalsContact C-N 3.34Å; K507-S509 PolarHBondContact O-N 2.76Å; S509-S511 PolarHBondContact O-N 3.25Å; S509-S512 PolarHBondContact O-N 2.93Å; S509-T513 WeakPolarHBondContact O-CB 3.14Å; S509-T513 PolarHBondContact O-N 2.89Å; S509-T513 PolarHBondContact O-OG1 2.84Å
510I91Very high86.1Confident102 Ų10293.1 Ų93.152%0.52347%0.468SS..Hα-helixtrans-59.2-49.7175-67.9165.7000110.3L506 K507 S512 T513 F514L506-I510 HydrophobicContact CD1-CD1 4.18Å; L506-I510 HydrophobicContact CD1-CG1 4.34Å; L506-I510 HydrophobicContact CG-CD1 3.91Å; L506-I510 HydrophobicContact CG-CG1 4.49Å; L506-I510 VanDerWaalsContact O-CG1 3.29Å; L506-I510 WeakPolarHBondContact O-CG1 3.48Å; L506-I510 PolarHBondContact O-N 2.98Å; K507-I510 PolarHBondContact O-N 2.76Å; I510-S512 PolarHBondContact O-N 2.93Å; I510-T513 PolarHBondContact O-N 3.37Å; I510-F514 VanDerWaalsContact O-CB 3.23Å; I510-F514 WeakPolarHBondContact O-CB 3.2Å; I510-F514 PolarHBondContact O-N 2.87Å
511S91.8Very high84.4Confident77 Ų7795.6 Ų95.654%0.53847%0.474SS..Hα-helixtrans-62.4-42.7179.2-63.40000112.6K507 R508 S509 F514 L515K507-S511 WeakPolarHBondContact O-CB 3.36Å; K507-S511 PolarHBondContact O-N 3.33Å; K507-S511 PolarHBondContact O-OG 2.6Å; K507-S511 VanDerWaalsContact O-OG 3.1Å; R508-S511 PolarHBondContact O-N 3.31Å; S509-S511 PolarHBondContact O-N 3.25Å; S511-F514 PolarHBondContact O-N 3.16Å; S511-L515 WeakPolarHBondContact O-CB 3.44Å; S511-L515 PolarHBondContact O-N 2.96Å
512S87.9Confident82.6Confident74 Ų7495.8 Ų95.852%0.51748%0.48SS..Hα-helixtrans-65.4-43.2177.3-1700000111.5R508 S509 I510 F514 L515 N516R508-S512 VanDerWaalsContact O-CB 3.3Å; R508-S512 WeakPolarHBondContact O-CB 3.49Å; R508-S512 PolarHBondContact O-N 3.03Å; S509-S512 PolarHBondContact O-N 2.93Å; I510-S512 PolarHBondContact O-N 2.93Å; S512-F514 VanDerWaalsContact C-N 3.34Å; S512-L515 PolarHBondContact O-N 2.98Å; S512-N516 WeakPolarHBondContact O-CB 3.42Å; S512-N516 PolarHBondContact O-N 3.11Å
513T79.6Confident80.7Confident67 Ų6795.4 Ų95.441%0.41148%0.478SS..Hα-helixtrans-65.6-41.5177.4-48.80000109.9S509 I510 N516 M517S509-T513 WeakPolarHBondContact O-CB 3.14Å; S509-T513 PolarHBondContact O-N 2.89Å; S509-T513 PolarHBondContact O-OG1 2.84Å; I510-T513 PolarHBondContact O-N 3.37Å; T513-N516 PolarHBondContact O-N 3.21Å; T513-M517 HydrophobicContact CG2-CE 3.62Å; T513-M517 VanDerWaalsContact O-CG 3.26Å; T513-M517 WeakPolarHBondContact O-CG 3.31Å; T513-M517 PolarHBondContact O-N 3.14Å
514F80.6Confident78.8Confident106 Ų10696.3 Ų96.347%0.46549%0.488SS..Hα-helixtrans-65.2-41.8176.4-172.3-108.9000112.6I510 S511 S512 M517 L518 I525I510-F514 VanDerWaalsContact O-CB 3.23Å; I510-F514 WeakPolarHBondContact O-CB 3.2Å; I510-F514 PolarHBondContact O-N 2.87Å; S511-F514 PolarHBondContact O-N 3.16Å; S512-F514 VanDerWaalsContact C-N 3.34Å; F514-M517 WeakPolarHBondContact O-CB 3.5Å; F514-M517 PolarHBondContact O-N 2.77Å; F514-L518 HydrophobicContact CD1-CD1 3.88Å; F514-L518 HydrophobicContact CD1-CG 4.4Å; F514-L518 HydrophobicContact CE1-CD1 3.59Å; F514-L518 HydrophobicContact CE1-CG 4.16Å; F514-L518 HydrophobicContact CZ-CD1 4.23Å; F514-L518 HydrophobicContact CZ-CD2 4.4Å; F514-L518 HydrophobicContact CZ-CG 4.37Å; F514-L518 WeakPolarHBondContact O-CG 3.44Å; F514-L518 PolarHBondContact O-N 2.83Å; F514-I525 HydrophobicContact CE2-CD1 4.07Å
515L79.6Confident76.9Confident92 Ų9290.7 Ų90.748%0.48247%0.47SS..Hα-helixtrans-60.6-47.2173.6-179.764.9000110.9S511 S512 M517 L518 E519S511-L515 WeakPolarHBondContact O-CB 3.44Å; S511-L515 PolarHBondContact O-N 2.96Å; S512-L515 PolarHBondContact O-N 2.98Å; L515-M517 VanDerWaalsContact C-N 3.27Å; L515-M517 PolarHBondContact O-N 3.14Å; L515-L518 WeakPolarHBondContact O-CB 3.41Å; L515-L518 PolarHBondContact O-N 3.45Å; L515-E519 HydrophobicContact CD1-CG 4.42Å; L515-E519 HydrophobicContact CG-CG 4.5Å; L515-E519 WeakPolarHBondContact O-CG 3.34Å; L515-E519 PolarHBondContact O-N 3.03Å
516N73.9Confident75Confident84 Ų8487.4 Ų87.445%0.44946%0.461SS..Hα-helixtrans-62.9-35.1177.7-157.416.2000111.5S512 T513 N520S512-N516 WeakPolarHBondContact O-CB 3.42Å; S512-N516 PolarHBondContact O-N 3.11Å; T513-N516 PolarHBondContact O-N 3.21Å; N516-N520 VanDerWaalsContact O-CB 3.26Å; N516-N520 WeakPolarHBondContact O-CB 3.3Å; N516-N520 VanDerWaalsContact O-CG 3.29Å; N516-N520 PolarHBondContact O-N 2.85Å; N516-N520 PolarHBondContact O-ND2 2.76Å; N516-N520 VanDerWaalsContact O-ND2 3.09Å; N516-N520 PolarHBondContact OD1-ND2 2.84Å
517M66.7Low73.1Confident63 Ų6385.1 Ų85.131%0.3145%0.451SS..Hα-helixtrans-65.3-38.7171.6-72.2-179.5-159.500112.6T513 F514 L515 Y521 N523 I525T513-M517 HydrophobicContact CG2-CE 3.62Å; T513-M517 VanDerWaalsContact O-CG 3.26Å; T513-M517 WeakPolarHBondContact O-CG 3.31Å; T513-M517 PolarHBondContact O-N 3.14Å; F514-M517 WeakPolarHBondContact O-CB 3.5Å; F514-M517 PolarHBondContact O-N 2.77Å; L515-M517 VanDerWaalsContact C-N 3.27Å; L515-M517 PolarHBondContact O-N 3.14Å; M517-Y521 WeakPolarHBondContact O-CA 3.42Å; M517-Y521 PolarHBondContact O-N 3Å; M517-N523 PolarHBondContact SD-ND2 2.8Å; M517-I525 HydrophobicContact CB-CD1 4.18Å
518L68.9Low70.9Confident69 Ų6984.3 Ų84.336%0.36146%0.461SS..Hα-helixtrans-69.1-38.6176.3-72.6172.9000112.1F514 L515 Y521 I525F514-L518 HydrophobicContact CD1-CD1 3.88Å; F514-L518 HydrophobicContact CD1-CG 4.4Å; F514-L518 HydrophobicContact CE1-CD1 3.59Å; F514-L518 HydrophobicContact CE1-CG 4.16Å; F514-L518 HydrophobicContact CZ-CD1 4.23Å; F514-L518 HydrophobicContact CZ-CD2 4.4Å; F514-L518 HydrophobicContact CZ-CG 4.37Å; F514-L518 WeakPolarHBondContact O-CG 3.44Å; F514-L518 PolarHBondContact O-N 2.83Å; L515-L518 WeakPolarHBondContact O-CB 3.41Å; L515-L518 PolarHBondContact O-N 3.45Å; L518-Y521 WeakPolarHBondContact O-CE1 3.46Å; L518-I525 HydrophobicContact CD2-CD1 3.99Å; L518-I525 HydrophobicContact CD2-CG2 4.03Å
519E69.7Low69Low121 Ų12177.9 Ų77.957%0.56545%0.453SS*.Hα-helixtrans-71.6-41.5178.2-72.2178.8167.300112L515 Y521L515-E519 HydrophobicContact CD1-CG 4.42Å; L515-E519 HydrophobicContact CG-CG 4.5Å; L515-E519 WeakPolarHBondContact O-CG 3.34Å; L515-E519 PolarHBondContact O-N 3.03Å; E519-Y521 VanDerWaalsContact O-CD2 3.32Å; E519-Y521 WeakPolarHBondContact O-CD2 3.41Å; E519-Y521 WeakPolarHBondContact O-CE2 3.37Å
520N63.9Low67.2Low93 Ų9379.6 Ų79.650%0.49745%0.45SS..Hα-helixtrans-88.5-3.9-178.5-62.8-35.4000113.9N516 S522N516-N520 VanDerWaalsContact O-CB 3.26Å; N516-N520 WeakPolarHBondContact O-CB 3.3Å; N516-N520 VanDerWaalsContact O-CG 3.29Å; N516-N520 PolarHBondContact O-N 2.85Å; N516-N520 PolarHBondContact O-ND2 2.76Å; N516-N520 VanDerWaalsContact O-ND2 3.09Å; N516-N520 PolarHBondContact OD1-ND2 2.84Å; N520-S522 VanDerWaalsContact CB-OG 3.26Å; N520-S522 WeakPolarHBondContact CB-OG 3.42Å; N520-S522 PolarHBondContact O-N 2.92Å; N520-S522 PolarHBondContact O-OG 2.84Å; N520-S522 VanDerWaalsContact O-OG 3.09Å
521Y60.8Low65.5Low87 Ų8775 Ų7534%0.34143%0.428SS..THydrogen-bonded Turntrans46.530.1-177.8-59.7-83000114.2M517 L518 E519 N523 V527 P626 S629M517-Y521 WeakPolarHBondContact O-CA 3.42Å; M517-Y521 PolarHBondContact O-N 3Å; L518-Y521 WeakPolarHBondContact O-CE1 3.46Å; E519-Y521 VanDerWaalsContact O-CD2 3.32Å; E519-Y521 WeakPolarHBondContact O-CD2 3.41Å; E519-Y521 WeakPolarHBondContact O-CE2 3.37Å; Y521-N523 VanDerWaalsContact C-N 3.32Å; Y521-N523 PolarHBondContact O-N 2.87Å; Y521-V527 HydrophobicContact CE1-CG2 4.26Å; Y521-P626 HydrophobicContact CD1-CG 4.38Å; Y521-P626 HydrophobicContact CG-CG 4.3Å; Y521-S629 PolarHBondContact O-OG 3.06Å
522S57Low63.8Low70 Ų7076 Ų7649%0.4943%0.427SS..  trans-80.6-14.2-165.8-620000113.8N520N520-S522 VanDerWaalsContact CB-OG 3.26Å; N520-S522 WeakPolarHBondContact CB-OG 3.42Å; N520-S522 PolarHBondContact O-N 2.92Å; N520-S522 PolarHBondContact O-OG 2.84Å; N520-S522 VanDerWaalsContact O-OG 3.09Å
523N56.1Low63Low70 Ų7074.8 Ų74.837%0.37441%0.413SS..SBendtrans-117.3157.3176.7-78.8-39000110.3M517 Y521 I525 S629M517-N523 PolarHBondContact SD-ND2 2.8Å; Y521-N523 VanDerWaalsContact C-N 3.32Å; Y521-N523 PolarHBondContact O-N 2.87Å; N523-I525 HydrophobicContact CB-CG1 4.26Å; N523-I525 PolarHBondContact O-N 2.8Å; N523-S629 PolarHBondContact O-OG 3.09Å
524P55.8Low63Low83 Ų8371.8 Ų71.854%0.53940%0.395SS..  trans-64.972172.427.8-35.7000110.3P526 S629P524-P526 WeakPolarHBondContact O-CD 3.35Å; P524-S629 WeakPolarHBondContact CA-O 3.46Å; P524-S629 WeakPolarHBondContact CB-O 3.34Å
525I56.3Low63.2Low51 Ų5172.5 Ų72.526%0.26240%0.398SS..  trans-99.1111.4171.1-57175.6000106.2F514 M517 L518 N523 V527F514-I525 HydrophobicContact CE2-CD1 4.07Å; M517-I525 HydrophobicContact CB-CD1 4.18Å; L518-I525 HydrophobicContact CD2-CD1 3.99Å; L518-I525 HydrophobicContact CD2-CG2 4.03Å; N523-I525 HydrophobicContact CB-CG1 4.26Å; N523-I525 PolarHBondContact O-N 2.8Å; I525-V527 PolarHBondContact O-N 2.8Å
526P55Low63.6Low51 Ų5168.9 Ų68.933%0.33138%0.379SS..PPolyproline II helixtrans-57.1121.7172.818.1-27.3000110P524 S528 G531P524-P526 WeakPolarHBondContact O-CD 3.35Å; P526-S528 PolarHBondContact O-N 3.31Å; P526-G531 WeakPolarHBondContact CB-O 3.39Å
527V55.9Low64.3Low48 Ų4868.5 Ų68.529%0.29138%0.377SS..PPolyproline II helixtrans-66.1133.7172.41790000108.7Y521 I525 G529 Y530 G531 P626 I627Y521-V527 HydrophobicContact CE1-CG2 4.26Å; I525-V527 PolarHBondContact O-N 2.8Å; V527-G529 PolarHBondContact O-N 2.94Å; V527-Y530 PolarHBondContact O-N 2.87Å; V527-G531 PolarHBondContact O-N 3.09Å; V527-P626 WeakPolarHBondContact CG2-O 3.27Å; V527-I627 PolarHBondContact N-O 3.15Å
528S51.2Low65.5Low112 Ų11266.3 Ų66.378%0.78337%0.367SS*.THydrogen-bonded Turntrans-51.2128.9179.138.20000111.5P526P526-S528 PolarHBondContact O-N 3.31Å
529G55.1Low66.6Low51 Ų5165.9 Ų65.953%0.52636%0.363SS..THydrogen-bonded Turntrans107.4-49.3-178.900000114.3V527 Q533V527-G529 PolarHBondContact O-N 2.94Å; G529-Q533 PolarHBondContact O-NE2 2.7Å
530Y55.2Low67.7Low101 Ų10161.6 Ų61.640%0.39635%0.345SS..THydrogen-bonded Turntrans-107.5-39.8-178.9-76-81.1000113.7V527 D532 Q533 L564 N620 I627V527-Y530 PolarHBondContact O-N 2.87Å; Y530-D532 VanDerWaalsContact C-N 3.28Å; Y530-D532 PolarHBondContact O-N 3.46Å; Y530-Q533 WeakPolarHBondContact O-CB 3.42Å; Y530-Q533 PolarHBondContact O-N 3.06Å; Y530-L564 HydrophobicContact CD1-CD2 4.22Å; Y530-L564 HydrophobicContact CE1-CD2 4.25Å; Y530-N620 PolarHBondContact OH-ND2 2.92Å; Y530-I627 VanDerWaalsContact CB-CG2 3.49Å; Y530-I627 HydrophobicContact CD1-CD1 4.25Å; Y530-I627 HydrophobicContact CG-CD1 4.08Å; Y530-I627 HydrophobicContact CG-CG1 4.26Å
531G54.5Low69Low6 Ų661.9 Ų61.96%0.06234%0.343CS..THydrogen-bonded Turntrans-69.8-24.4-169.300000113.8P526 V527 Q533P526-G531 WeakPolarHBondContact CB-O 3.39Å; V527-G531 PolarHBondContact O-N 3.09Å; G531-Q533 PolarHBondContact O-N 3.4Å
532D56.7Low70.2Confident96 Ų9659.6 Ų59.651%0.51335%0.347SS..THydrogen-bonded Turntrans-69.6-15173.6-77.1-19.2000113.3Y530Y530-D532 VanDerWaalsContact C-N 3.28Å; Y530-D532 PolarHBondContact O-N 3.46Å
533Q70.1Confident71.2Confident50 Ų5061.9 Ų61.923%0.23435%0.353CS..THydrogen-bonded Turntrans-95.7-27.3-176.2-57.1-176.737.100112G529 Y530 G531 Q555 I556 L564G529-Q533 PolarHBondContact O-NE2 2.7Å; Y530-Q533 WeakPolarHBondContact O-CB 3.42Å; Y530-Q533 PolarHBondContact O-N 3.06Å; G531-Q533 PolarHBondContact O-N 3.4Å; Q533-Q555 CarbonylContact O-C 3.56Å; Q533-Q555 WeakPolarHBondContact O-CA 3.32Å; Q533-Q555 VanDerWaalsContact O-CG 3.31Å; Q533-Q555 WeakPolarHBondContact O-CG 3.26Å; Q533-I556 PolarHBondContact O-N 3.48Å; Q533-L564 HydrophobicContact CB-CD1 4.39Å
534I79.7Confident72.2Confident3 Ų359.6 Ų59.62%0.01535%0.346CS..EExtended strand (participates in β ladder)trans-121.4132.3-168.1-50.7176.6000111.6I553 V554 L564 L567I534-I553 HydrophobicContact CG2-CG2 3.26Å; I534-V554 CarbonylContact C-O 3.53Å; I534-L564 HydrophobicContact CD1-CD1 3.72Å; I534-L564 HydrophobicContact CG1-CD1 3.58Å; I534-L567 HydrophobicContact CD1-CD1 3.58Å
535K84.6Confident73.6Confident122 Ų12259.1 Ų59.153%0.5334%0.343SS..EExtended strand (participates in β ladder)trans-100.6129.8165.1-161.7176.4178.3177.70110I553 V554 I556K535-I553 WeakPolarHBondContact O-CA 3.35Å; K535-V554 PolarHBondContact N-O 2.84Å; K535-V554 PolarHBondContact O-N 2.67Å; K535-I556 HydrophobicContact CB-CD1 3.55Å; K535-I556 HydrophobicContact CB-CG1 3.8Å; K535-I556 HydrophobicContact CD-CD1 4.14Å; K535-I556 HydrophobicContact CG-CD1 4.11Å
536L87.8Confident75.2Confident15 Ų1563.4 Ų63.48%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-104.1126.3166177.368.9000108.4V538 C551 I553 V616 V618 I628L536-V538 HydrophobicContact CD1-CG2 4.02Å; L536-V538 HydrophobicContact CD2-CG2 3.8Å; L536-V538 HydrophobicContact CG-CG2 3.67Å; L536-C551 HydrophobicContact CD1-CB 4.3Å; L536-I553 HydrophobicContact CD1-CD1 4.46Å; L536-I553 HydrophobicContact CD1-CG1 3.86Å; L536-V616 HydrophobicContact CD2-CB 4.47Å; L536-V616 HydrophobicContact CD2-CG1 4.07Å; L536-V618 HydrophobicContact CD1-CG2 4.12Å; L536-V618 HydrophobicContact CD2-CG2 4.16Å; L536-I628 HydrophobicContact CB-CD1 3.87Å; L536-I628 HydrophobicContact CB-CG1 4.12Å; L536-I628 HydrophobicContact CB-CG2 3.88Å; L536-I628 HydrophobicContact CD2-CG2 4.35Å
537N89.3Confident76.9Confident77 Ų7761.1 Ų61.141%0.41235%0.347SS..EExtended strand (participates in β ladder)trans-115.9128.2168.3-175.626.7000108.5E552N537-E552 HydrophobicContact CB-CB 4.27Å; N537-E552 PolarHBondContact N-O 3.29Å; N537-E552 PolarHBondContact ND2-OE2 3.35Å; N537-E552 PolarHBondContact O-N 2.8Å
538V92.5Very high78.7Confident17 Ų1761.6 Ų61.610%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-124129.6-177.8-168.30000108.6L536 L549 I550 V616 V632L536-V538 HydrophobicContact CD1-CG2 4.02Å; L536-V538 HydrophobicContact CD2-CG2 3.8Å; L536-V538 HydrophobicContact CG-CG2 3.67Å; V538-L549 HydrophobicContact CG1-CD1 3.53Å; V538-L549 HydrophobicContact CG1-CG 4.2Å; V538-I550 WeakPolarHBondContact CA-O 3.39Å; V538-V616 HydrophobicContact CG1-CG2 3.83Å; V538-V616 HydrophobicContact CG2-CB 4.08Å; V538-V616 HydrophobicContact CG2-CG1 4.18Å; V538-V616 HydrophobicContact CG2-CG2 4.27Å; V538-V632 HydrophobicContact CB-CG2 3.68Å; V538-V632 HydrophobicContact CG1-CG2 3.45Å; V538-V632 VanDerWaalsContact CG1-CG2 3.45Å
539Q91.7Very high80.8Confident59 Ų5956.2 Ų56.228%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-135.4147.5176.265-170.6-16.500109.6I550Q539-I550 HydrophobicContact CG-CB 3.63Å; Q539-I550 HydrophobicContact CG-CD1 4.04Å; Q539-I550 HydrophobicContact CG-CG1 4.45Å; Q539-I550 HydrophobicContact CG-CG2 4.06Å; Q539-I550 PolarHBondContact N-O 2.76Å; Q539-I550 PolarHBondContact O-N 2.91Å
540V92.5Very high82.8Confident32 Ų3253.9 Ų53.919%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-112133.6174.2171.40000107.9F547 L549 V632 M634 P635V540-F547 HydrophobicContact CG1-CB 3.96Å; V540-F547 HydrophobicContact CG1-CD1 4.09Å; V540-F547 HydrophobicContact CG1-CG 4.3Å; V540-L549 HydrophobicContact CG2-CD1 3.44Å; V540-L549 VanDerWaalsContact CG2-CD1 3.44Å; V540-V632 HydrophobicContact CB-CG1 4.26Å; V540-V632 HydrophobicContact CG2-CB 4.36Å; V540-V632 HydrophobicContact CG2-CG1 3.56Å; V540-M634 HydrophobicContact CB-SD 4.46Å; V540-M634 HydrophobicContact CG1-CE 4.34Å; V540-M634 HydrophobicContact CG1-SD 3.99Å; V540-M634 HydrophobicContact CG2-SD 3.79Å; V540-P635 HydrophobicContact CG1-CG 4.45Å
541Q90.6Very high84.6Confident98 Ų9849.1 Ų49.146%0.45827%0.269SS..EExtended strand (participates in β ladder)trans-122.9138.1176.5-68.6-176.2-14.500110.1F547 T548 I550Q541-F547 CarbonylContact O-C 3.56Å; Q541-F547 VanDerWaalsContact O-CA 3.31Å; Q541-F547 WeakPolarHBondContact O-CA 3.41Å; Q541-T548 PolarHBondContact N-O 2.56Å; Q541-T548 PolarHBondContact O-N 3.24Å; Q541-I550 HydrophobicContact CB-CD1 4.35Å; Q541-I550 HydrophobicContact CG-CD1 3.77Å; Q541-I550 VanDerWaalsContact OE1-CD1 3.23Å
542G85.7Confident86.5Confident40 Ų4049.5 Ų49.541%0.41227%0.269SS..  trans128.5153.6-177.400000111.3F547G542-F547 WeakPolarHBondContact O-CD1 3.45Å; G542-F547 WeakPolarHBondContact O-CE1 3.33Å
543L78.1Confident88Confident117 Ų11745 Ų4561%0.61325%0.245SC*.SBendtrans-104.75.7175.5-63.9171.9000112.1S637 E638L543-S637 WeakPolarHBondContact O-CA 3.34Å; L543-E638 PolarHBondContact O-N 2.79Å
544G77Confident88.8Confident23 Ų2344.5 Ų44.524%0.23725%0.245CC..SBendtrans84.6164-176.500000113.2S637G544-S637 WeakPolarHBondContact CA-OG 3.22Å
545P85.5Confident88.8Confident72 Ų7244.5 Ų44.547%0.46825%0.245SC..SBendcis-73.9-9.9-3.931.9-35.6000113T603 L604P545-T603 CarbonylContact O-C 3.6Å; P545-L604 HydrophobicContact CB-CB 4.16Å; P545-L604 WeakPolarHBondContact O-CB 3.43Å; P545-L604 PolarHBondContact O-N 2.74Å
546E89.6Confident88.2Confident141 Ų14143.9 Ų43.966%0.65925%0.246SC*.EExtended strand (participates in β ladder)trans-99.6133.1174.5-62.9-168.3160.900111.6T603E546-T603 HydrophobicContact CG-CG2 4.41Å
547F91.6Very high87Confident4 Ų449.3 Ų49.32%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-128.3153175.5-50.9-89000110.2V540 Q541 G542 Y578 I602 M634 P635V540-F547 HydrophobicContact CG1-CB 3.96Å; V540-F547 HydrophobicContact CG1-CD1 4.09Å; V540-F547 HydrophobicContact CG1-CG 4.3Å; Q541-F547 CarbonylContact O-C 3.56Å; Q541-F547 VanDerWaalsContact O-CA 3.31Å; Q541-F547 WeakPolarHBondContact O-CA 3.41Å; G542-F547 WeakPolarHBondContact O-CD1 3.45Å; G542-F547 WeakPolarHBondContact O-CE1 3.33Å; F547-Y578 HydrophobicContact CE2-CE1 4.28Å; F547-I602 HydrophobicContact CB-CB 4.19Å; F547-I602 PolarHBondContact N-O 3.12Å; F547-I602 PolarHBondContact O-N 2.85Å; F547-M634 HydrophobicContact CB-CE 4.29Å; F547-M634 HydrophobicContact CD2-CE 3.9Å; F547-M634 HydrophobicContact CE2-CE 4.42Å; F547-M634 HydrophobicContact CG-CE 4.08Å; F547-P635 HydrophobicContact CD1-CG 4.08Å; F547-P635 HydrophobicContact CE1-CG 3.61Å; F547-P635 HydrophobicContact CZ-CG 4.39Å
548T94.6Very high85.5Confident57 Ų5747.3 Ų47.335%0.3526%0.262SS..EExtended strand (participates in β ladder)trans-113.2114.7170.9-560000108.8Q541 I550 T599Q541-T548 PolarHBondContact N-O 2.56Å; Q541-T548 PolarHBondContact O-N 3.24Å; T548-I550 HydrophobicContact CG2-CG1 4.13Å; T548-T599 HydrophobicContact CG2-CG2 4.31Å
549L95.3Very high83.7Confident0 Ų055.3 Ų55.30%030%0.304CS..EExtended strand (participates in β ladder)trans-79.3127.7168.1-171.771.5000108.8V538 V540 I571 T599 S600 I602 V616V538-L549 HydrophobicContact CG1-CD1 3.53Å; V538-L549 HydrophobicContact CG1-CG 4.2Å; V540-L549 HydrophobicContact CG2-CD1 3.44Å; V540-L549 VanDerWaalsContact CG2-CD1 3.44Å; L549-I571 HydrophobicContact CD2-CD1 3.58Å; L549-I571 HydrophobicContact CD2-CG1 3.9Å; L549-I571 HydrophobicContact CD2-CG2 4.1Å; L549-T599 CarbonylContact O-C 3.53Å; L549-T599 WeakPolarHBondContact O-CA 3.27Å; L549-S600 PolarHBondContact N-O 3.15Å; L549-S600 PolarHBondContact O-N 2.89Å; L549-I602 HydrophobicContact CB-CD1 3.7Å; L549-I602 HydrophobicContact CB-CG1 4.2Å; L549-I602 HydrophobicContact CD1-CD1 4.38Å; L549-I602 HydrophobicContact CG-CD1 4.45Å; L549-V616 HydrophobicContact CD2-CG2 3.93Å
550I95.5Very high82Confident1 Ų156.8 Ų56.81%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-117.9120.6176.8-63.5147.4000108.5V538 Q539 Q541 T548 E552 R597 Y598 T599V538-I550 WeakPolarHBondContact CA-O 3.39Å; Q539-I550 HydrophobicContact CG-CB 3.63Å; Q539-I550 HydrophobicContact CG-CD1 4.04Å; Q539-I550 HydrophobicContact CG-CG1 4.45Å; Q539-I550 HydrophobicContact CG-CG2 4.06Å; Q539-I550 PolarHBondContact N-O 2.76Å; Q539-I550 PolarHBondContact O-N 2.91Å; Q541-I550 HydrophobicContact CB-CD1 4.35Å; Q541-I550 HydrophobicContact CG-CD1 3.77Å; Q541-I550 VanDerWaalsContact OE1-CD1 3.23Å; T548-I550 HydrophobicContact CG2-CG1 4.13Å; I550-E552 HydrophobicContact CG2-CG 3.97Å; I550-R597 HydrophobicContact CG2-CG 3.84Å; I550-R597 VanDerWaalsContact CG2-CZ 3.46Å; I550-Y598 WeakPolarHBondContact CA-O 3.32Å; I550-T599 HydrophobicContact CG1-CG2 3.91Å
551C94.4Very high80.4Confident1 Ų163 Ų631%0.00735%0.346CS..EExtended strand (participates in β ladder)trans-109.7121175.7-56.40000109.2L536 I569 Y598L536-C551 HydrophobicContact CD1-CB 4.3Å; C551-I569 HydrophobicContact CB-CD1 3.91Å; C551-Y598 PolarHBondContact N-O 2.96Å; C551-Y598 PolarHBondContact O-N 3.48Å
552E92.9Very high79.5Confident15 Ų1560.6 Ų60.67%0.0734%0.34CS..EExtended strand (participates in β ladder)trans-113.7120.2178.3-59.7179.1145.200109.7N537 I550 K595 Y596 R597N537-E552 HydrophobicContact CB-CB 4.27Å; N537-E552 PolarHBondContact N-O 3.29Å; N537-E552 PolarHBondContact ND2-OE2 3.35Å; N537-E552 PolarHBondContact O-N 2.8Å; I550-E552 HydrophobicContact CG2-CG 3.97Å; E552-K595 WeakPolarHBondContact OE1-CE 3.32Å; E552-K595 IonicContact OE1-NZ 2.69Å; E552-K595 PolarHBondContact OE1-NZ 2.82Å; E552-K595 WeakPolarHBondContact OE2-CE 3.48Å; E552-K595 IonicContact OE2-NZ 2.67Å; E552-K595 PolarHBondContact OE2-NZ 3.18Å; E552-Y596 CarbonylContact C-O 3.57Å; E552-Y596 VanDerWaalsContact CA-O 3.26Å; E552-Y596 WeakPolarHBondContact CA-O 3.35Å; E552-R597 HydrophobicContact CG-CB 4.36Å; E552-R597 HydrophobicContact CG-CG 4.13Å; E552-R597 IonicContact OE1-NH1 2.68Å; E552-R597 PolarHBondContact OE1-NH1 3.48Å
553I89.6Confident78.9Confident0 Ų061.3 Ų61.30%034%0.336CS..EExtended strand (participates in β ladder)trans-110.1127.6-179.8-55.9-177.7000109.1I534 K535 L536 I569 V587 I590 Y596 V618I534-I553 HydrophobicContact CG2-CG2 3.26Å; K535-I553 WeakPolarHBondContact O-CA 3.35Å; L536-I553 HydrophobicContact CD1-CD1 4.46Å; L536-I553 HydrophobicContact CD1-CG1 3.86Å; I553-I569 HydrophobicContact CD1-CD1 3.71Å; I553-I569 HydrophobicContact CD1-CG1 3.76Å; I553-I569 HydrophobicContact CG1-CD1 4.43Å; I553-V587 HydrophobicContact CD1-CG1 4.16Å; I553-V587 HydrophobicContact CD1-CG2 3.93Å; I553-I590 HydrophobicContact CB-CD1 4.38Å; I553-I590 HydrophobicContact CG2-CD1 3.5Å; I553-Y596 PolarHBondContact N-O 2.75Å; I553-Y596 PolarHBondContact O-N 2.75Å; I553-V618 HydrophobicContact CD1-CG2 3.95Å
554V85.8Confident79Confident41 Ų4156.5 Ų56.525%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-130.6134.4177.7-176.90000109.3I534 K535 K595I534-V554 CarbonylContact C-O 3.53Å; K535-V554 PolarHBondContact N-O 2.84Å; K535-V554 PolarHBondContact O-N 2.67Å; V554-K595 HydrophobicContact CG2-CB 3.85Å; V554-K595 HydrophobicContact CG2-CD 4.32Å; V554-K595 HydrophobicContact CG2-CG 3.7Å
555Q81.2Confident79.3Confident3 Ų359.8 Ų59.81%0.01432%0.323CS..EExtended strand (participates in β ladder)trans-84.7114169.7-171.5169.9-7.600109.9Q533 S562 L564 I590Q533-Q555 CarbonylContact O-C 3.56Å; Q533-Q555 WeakPolarHBondContact O-CA 3.32Å; Q533-Q555 VanDerWaalsContact O-CG 3.31Å; Q533-Q555 WeakPolarHBondContact O-CG 3.26Å; Q555-S562 PolarHBondContact NE2-O 2.99Å; Q555-L564 VanDerWaalsContact CD-CD1 3.49Å; Q555-L564 HydrophobicContact CG-CD1 4.07Å; Q555-I590 HydrophobicContact CB-CG2 3.9Å; Q555-I590 PolarHBondContact OE1-O 2.98Å
556I71.1Confident79.3Confident108 Ų10857.8 Ų57.855%0.55432%0.316SS*.  trans-85.5-44.2-176.2-54.7162000111.8Q533 K535Q533-I556 PolarHBondContact O-N 3.48Å; K535-I556 HydrophobicContact CB-CD1 3.55Å; K535-I556 HydrophobicContact CB-CG1 3.8Å; K535-I556 HydrophobicContact CD-CD1 4.14Å; K535-I556 HydrophobicContact CG-CD1 4.11Å
557K62.5Low79.2Confident129 Ų12951.2 Ų51.256%0.56129%0.285SS*.  trans-115.7125.9-173.7-74.7-175.6-179.3172.40110.7
558S57.1Low79.3Confident36 Ų3654 Ų5425%0.25230%0.296SS..  trans-149.698161.196.60000108.5T560S558-T560 WeakPolarHBondContact CB-O 3.25Å; S558-T560 PolarHBondContact O-N 2.73Å; S558-T560 PolarHBondContact OG-O 3.23Å; S558-T560 VanDerWaalsContact OG-O 3.07Å
559N54.9Low79.2Confident184 Ų18451.3 Ų51.398%0.98428%0.28SS*.SBendtrans-68-20.9160.6-89.812.3000110.4
560T56.9Low79.1Confident90 Ų9053.6 Ų53.655%0.55229%0.291SS*.SBendtrans-108.3125.4174.251.40000107.8S558 S562S558-T560 WeakPolarHBondContact CB-O 3.25Å; S558-T560 PolarHBondContact O-N 2.73Å; S558-T560 PolarHBondContact OG-O 3.23Å; S558-T560 VanDerWaalsContact OG-O 3.07Å; T560-S562 PolarHBondContact O-N 2.9Å; T560-S562 PolarHBondContact O-OG 3.2Å; T560-S562 PolarHBondContact OG1-OG 2.79Å; T560-S562 VanDerWaalsContact OG1-OG 3.06Å
561M59.2Low79Confident163 Ų16353.6 Ų53.680%0.80329%0.291SS*.  trans-67.955.3171.8-90.1-82.5148.600111.4P592M561-P592 HydrophobicContact CE-CB 4.03Å; M561-P592 HydrophobicContact CE-CG 4.35Å; M561-P592 HydrophobicContact SD-CB 4.43Å; M561-P592 HydrophobicContact SD-CG 4.14Å
562S70.7Confident78.9Confident47 Ų4757.6 Ų57.633%0.32931%0.312SS..PPolyproline II helixtrans-99.9127.7-178.350.20000110Q555 T560Q555-S562 PolarHBondContact NE2-O 2.99Å; T560-S562 PolarHBondContact O-N 2.9Å; T560-S562 PolarHBondContact O-OG 3.2Å; T560-S562 PolarHBondContact OG1-OG 2.79Å; T560-S562 VanDerWaalsContact OG1-OG 3.06Å
563T74.3Confident78.9Confident56 Ų5659.5 Ų59.534%0.34432%0.32SS..PPolyproline II helixtrans-75.5147172.752.30000111T589 I590 Y591T563-T589 HydrophobicContact CG2-CG2 4.09Å; T563-I590 WeakPolarHBondContact CA-O 3.32Å; T563-Y591 HydrophobicContact CG2-CD1 3.4Å; T563-Y591 VanDerWaalsContact CG2-CD1 3.4Å; T563-Y591 HydrophobicContact CG2-CD2 4.43Å; T563-Y591 HydrophobicContact CG2-CE1 3.38Å; T563-Y591 HydrophobicContact CG2-CE2 4.42Å; T563-Y591 HydrophobicContact CG2-CG 3.97Å
564L79.1Confident78.9Confident15 Ų1562.4 Ų62.48%0.07934%0.336CS..BIsolated β-bridgetrans-103127.9175.9-68.1161.9000109.8Y530 Q533 I534 Q555 L567 T589 I590Y530-L564 HydrophobicContact CD1-CD2 4.22Å; Y530-L564 HydrophobicContact CE1-CD2 4.25Å; Q533-L564 HydrophobicContact CB-CD1 4.39Å; I534-L564 HydrophobicContact CD1-CD1 3.72Å; I534-L564 HydrophobicContact CG1-CD1 3.58Å; Q555-L564 VanDerWaalsContact CD-CD1 3.49Å; Q555-L564 HydrophobicContact CG-CD1 4.07Å; L564-L567 HydrophobicContact CB-CD1 4.26Å; L564-T589 WeakPolarHBondContact O-CA 3.27Å; L564-I590 HydrophobicContact CB-CB 4.23Å; L564-I590 PolarHBondContact N-O 3.12Å; L564-I590 PolarHBondContact O-N 2.83Å
565N83.2Confident79.1Confident92 Ų9263.9 Ų63.949%0.49235%0.352SS..  trans-124.2155.9-175.9-69.1-42.4000111.6T589N565-T589 WeakPolarHBondContact OD1-CB 3.44Å; N565-T589 WeakPolarHBondContact OD1-CG2 3.37Å; N565-T589 PolarHBondContact OD1-OG1 2.94Å
566G85.5Confident79.4Confident30 Ų3068 Ų6831%0.30938%0.381SS..SBendtrans76.626.617000000114.9K621G566-K621 PolarHBondContact O-N 3.25Å
567L88.8Confident80.2Confident4 Ų463.1 Ų63.12%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-89.4149177.4-62.3174.2000111.1I534 L564 V587 I590 V618 I619 I627I534-L567 HydrophobicContact CD1-CD1 3.58Å; L564-L567 HydrophobicContact CB-CD1 4.26Å; L567-V587 HydrophobicContact CB-CB 3.89Å; L567-V587 HydrophobicContact CB-CG1 4.25Å; L567-V587 HydrophobicContact CB-CG2 4.32Å; L567-V587 WeakPolarHBondContact O-CB 3.49Å; L567-V587 PolarHBondContact O-N 3.36Å; L567-I590 HydrophobicContact CD1-CD1 3.57Å; L567-I590 HydrophobicContact CD1-CG1 4.37Å; L567-V618 HydrophobicContact CB-CG1 4.32Å; L567-V618 HydrophobicContact CD2-CG1 4.15Å; L567-I619 CarbonylContact C-O 3.54Å; L567-I619 WeakPolarHBondContact CA-O 3.24Å; L567-I627 HydrophobicContact CD2-CD1 3.4Å
568Y91.8Very high81.6Confident63 Ų6357.3 Ų57.325%0.24733%0.331CS..EExtended strand (participates in β ladder)trans-134.8145.8173.2-69.1-100.1000109.7L584 I585 P586 V618 I619 K621Y568-L584 HydrophobicContact CD1-CD1 4.15Å; Y568-L584 HydrophobicContact CD1-CD2 4.3Å; Y568-L584 HydrophobicContact CD1-CG 4.06Å; Y568-L584 HydrophobicContact CG-CD1 4.36Å; Y568-I585 CarbonylContact C-O 3.59Å; Y568-I585 VanDerWaalsContact CA-O 3.28Å; Y568-I585 WeakPolarHBondContact CA-O 3.01Å; Y568-P586 HydrophobicContact CD1-CB 4.06Å; Y568-P586 HydrophobicContact CE1-CB 3.71Å; Y568-V618 CarbonylContact O-C 3.55Å; Y568-V618 VanDerWaalsContact O-CA 3.31Å; Y568-V618 WeakPolarHBondContact O-CA 3.41Å; Y568-I619 PolarHBondContact N-O 2.85Å; Y568-I619 PolarHBondContact O-N 3.42Å; Y568-K621 HydrophobicContact CD2-CB 4.43Å; Y568-K621 HydrophobicContact CE2-CB 3.93Å; Y568-K621 HydrophobicContact CE2-CD 4.26Å; Y568-K621 HydrophobicContact CE2-CG 4.08Å
569I93.2Very high83.3Confident0 Ų060.8 Ų60.80%034%0.343CS..EExtended strand (participates in β ladder)trans-97.2122.9167.6-59.4159.8000107.5C551 I553 I571 L584 I585 V587 Y598 V616 F617 V618C551-I569 HydrophobicContact CB-CD1 3.91Å; I553-I569 HydrophobicContact CD1-CD1 3.71Å; I553-I569 HydrophobicContact CD1-CG1 3.76Å; I553-I569 HydrophobicContact CG1-CD1 4.43Å; I569-I571 HydrophobicContact CG2-CG1 4.35Å; I569-L584 CarbonylContact O-C 3.49Å; I569-L584 WeakPolarHBondContact O-CA 3.28Å; I569-I585 HydrophobicContact CB-CB 4.16Å; I569-I585 PolarHBondContact N-O 3.22Å; I569-I585 PolarHBondContact O-N 3.31Å; I569-V587 HydrophobicContact CD1-CG2 3.89Å; I569-V587 HydrophobicContact CG1-CG2 3.66Å; I569-Y598 HydrophobicContact CD1-CD2 3.6Å; I569-Y598 HydrophobicContact CD1-CE2 4.38Å; I569-Y598 HydrophobicContact CD1-CG 3.86Å; I569-V616 HydrophobicContact CG2-CG1 3.51Å; I569-F617 CarbonylContact C-O 3.54Å; I569-F617 WeakPolarHBondContact CA-O 3.44Å; I569-V618 HydrophobicContact CG1-CG2 4.4Å
570L92.9Very high85.2Confident47 Ų4752.2 Ų52.225%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-110129.5173.9175.966.9000109.2L572 V583 L584 F617 I619L570-L572 HydrophobicContact CD1-CD2 4.44Å; L570-L572 HydrophobicContact CD2-CD2 4.17Å; L570-L572 HydrophobicContact CG-CD2 4.17Å; L570-V583 HydrophobicContact CD1-CG1 4.33Å; L570-L584 HydrophobicContact CB-CD1 4.21Å; L570-L584 HydrophobicContact CD1-CD1 4.18Å; L570-F617 HydrophobicContact CB-CB 4.44Å; L570-F617 PolarHBondContact N-O 3.34Å; L570-F617 PolarHBondContact O-N 3.03Å; L570-I619 HydrophobicContact CB-CD1 4.31Å
571I94.3Very high87Confident1 Ų152.8 Ų52.81%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-108.7121.1179.2-56.1161.8000108.5L549 I569 F573 V580 V583 I585 I614L549-I571 HydrophobicContact CD2-CD1 3.58Å; L549-I571 HydrophobicContact CD2-CG1 3.9Å; L549-I571 HydrophobicContact CD2-CG2 4.1Å; I569-I571 HydrophobicContact CG2-CG1 4.35Å; I571-F573 HydrophobicContact CG2-CD1 4.32Å; I571-V580 HydrophobicContact CD1-CG1 4.1Å; I571-V580 HydrophobicContact CG2-CG1 4.13Å; I571-V583 PolarHBondContact N-O 3.43Å; I571-V583 WeakPolarHBondContact O-CG1 2.89Å; I571-I585 HydrophobicContact CD1-CD1 4.45Å; I571-I614 HydrophobicContact CG2-CG2 3.47Å; I571-I614 VanDerWaalsContact CG2-CG2 3.47Å
572L92.2Very high88.7Confident86 Ų8647.6 Ų47.645%0.4528%0.276SS..EExtended strand (participates in β ladder)trans-106.9131.1172.9-60.1-173.5000109.4L570 K615 F617L570-L572 HydrophobicContact CD1-CD2 4.44Å; L570-L572 HydrophobicContact CD2-CD2 4.17Å; L570-L572 HydrophobicContact CG-CD2 4.17Å; L572-K615 HydrophobicContact CB-CB 4.4Å; L572-K615 PolarHBondContact N-O 3.19Å; L572-K615 PolarHBondContact O-N 3.12Å; L572-F617 HydrophobicContact CB-CE2 4.23Å; L572-F617 HydrophobicContact CD1-CD2 4.11Å; L572-F617 HydrophobicContact CD1-CE2 3.53Å; L572-F617 HydrophobicContact CD1-CZ 4.35Å; L572-F617 HydrophobicContact CG-CD2 4.09Å; L572-F617 HydrophobicContact CG-CE2 3.82Å
573F92.2Very high89.8Confident54 Ų5447.9 Ų47.924%0.23728%0.275CS..  trans-148.8163.1-174.960.2-81.2000109.7I571 A575 Y578 V580 V583 I614I571-F573 HydrophobicContact CG2-CD1 4.32Å; F573-A575 HydrophobicContact CE2-CB 4.19Å; F573-A575 PolarHBondContact O-N 2.6Å; F573-Y578 VanDerWaalsContact CD2-O 3.27Å; F573-Y578 WeakPolarHBondContact CD2-O 2.79Å; F573-Y578 WeakPolarHBondContact CE2-O 3.42Å; F573-V580 HydrophobicContact CB-CG2 4.15Å; F573-V580 HydrophobicContact CD1-CB 3.81Å; F573-V580 HydrophobicContact CD1-CG2 3.57Å; F573-V580 HydrophobicContact CD2-CB 4.44Å; F573-V580 HydrophobicContact CD2-CG2 3.72Å; F573-V580 HydrophobicContact CE1-CB 3.59Å; F573-V580 HydrophobicContact CE1-CG2 3.83Å; F573-V580 HydrophobicContact CE2-CB 4.23Å; F573-V580 HydrophobicContact CE2-CG2 3.95Å; F573-V580 HydrophobicContact CG-CB 4.25Å; F573-V580 HydrophobicContact CG-CG2 3.52Å; F573-V580 HydrophobicContact CZ-CB 3.8Å; F573-V580 HydrophobicContact CZ-CG2 4Å; F573-V583 HydrophobicContact CE1-CG1 4.04Å; F573-V583 HydrophobicContact CE1-CG2 3.72Å; F573-V583 HydrophobicContact CZ-CG2 4.08Å; F573-I614 HydrophobicContact CB-CD1 4.22Å; F573-I614 HydrophobicContact CB-CG1 3.99Å
574N90.5Very high90.7Very high62 Ų6249.3 Ų49.333%0.33228%0.281SS..  trans-77.7104.7172.5-173.3-9.8000109.7S576 V577 Y578 E612N574-S576 PolarHBondContact O-N 3.47Å; N574-S576 VanDerWaalsContact O-N 3.16Å; N574-S576 WeakPolarHBondContact OD1-CB 3.46Å; N574-S576 PolarHBondContact OD1-N 3.29Å; N574-S576 VanDerWaalsContact OD1-N 3.15Å; N574-S576 PolarHBondContact OD1-OG 3.47Å; N574-V577 HydrophobicContact CB-CB 4.36Å; N574-V577 HydrophobicContact CB-CG2 4.24Å; N574-V577 PolarHBondContact O-N 3.14Å; N574-Y578 PolarHBondContact O-N 2.9Å; N574-E612 PolarHBondContact ND2-OE1 3.39Å
575A90Very high91.5Very high71 Ų7149.3 Ų49.359%0.58728%0.28SS*.THydrogen-bonded Turntrans-65.5-13.9-178.100000113.9F573 V577F573-A575 HydrophobicContact CE2-CB 4.19Å; F573-A575 PolarHBondContact O-N 2.6Å; A575-V577 VanDerWaalsContact C-N 3.31Å
576S88Confident91.9Very high89 Ų8949 Ų4962%0.62228%0.283SS*.THydrogen-bonded Turntrans-77.2-18.9172.2-53.10000112.8N574N574-S576 PolarHBondContact O-N 3.47Å; N574-S576 VanDerWaalsContact O-N 3.16Å; N574-S576 WeakPolarHBondContact OD1-CB 3.46Å; N574-S576 PolarHBondContact OD1-N 3.29Å; N574-S576 VanDerWaalsContact OD1-N 3.15Å; N574-S576 PolarHBondContact OD1-OG 3.47Å
577V87.9Confident92.2Very high7 Ų748.1 Ų48.14%0.04227%0.272CS..THydrogen-bonded Turntrans-112.1-45.2-173.8-179.30000111.3N574 A575 L604 I605 H606 T608 E612N574-V577 HydrophobicContact CB-CB 4.36Å; N574-V577 HydrophobicContact CB-CG2 4.24Å; N574-V577 PolarHBondContact O-N 3.14Å; A575-V577 VanDerWaalsContact C-N 3.31Å; V577-L604 HydrophobicContact CG1-CD1 3.79Å; V577-I605 PolarHBondContact O-N 2.8Å; V577-H606 PolarHBondContact O-N 3Å; V577-T608 HydrophobicContact CB-CG2 4.45Å; V577-T608 HydrophobicContact CG1-CG2 3.83Å; V577-T608 HydrophobicContact CG2-CG2 3.71Å; V577-E612 HydrophobicContact CG1-CG 4.34Å; V577-E612 HydrophobicContact CG2-CG 4.43Å
578Y91.3Very high92.2Very high7 Ų750.6 Ų50.63%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-121.9147.6-175.9-62.6-72.8000111.7F547 F573 N574 I602 T603 L604 E612 I614 M634F547-Y578 HydrophobicContact CE2-CE1 4.28Å; F573-Y578 VanDerWaalsContact CD2-O 3.27Å; F573-Y578 WeakPolarHBondContact CD2-O 2.79Å; F573-Y578 WeakPolarHBondContact CE2-O 3.42Å; N574-Y578 PolarHBondContact O-N 2.9Å; Y578-I602 HydrophobicContact CD1-CG2 3.57Å; Y578-I602 HydrophobicContact CE1-CG2 4.37Å; Y578-I602 HydrophobicContact CG-CG2 3.92Å; Y578-T603 CarbonylContact C-O 3.36Å; Y578-T603 WeakPolarHBondContact CA-O 3.2Å; Y578-L604 HydrophobicContact CD1-CB 4.36Å; Y578-L604 HydrophobicContact CD1-CD1 3.88Å; Y578-L604 HydrophobicContact CE1-CB 4.25Å; Y578-L604 HydrophobicContact CE1-CD1 3.37Å; Y578-L604 HydrophobicContact CE1-CG 4.43Å; Y578-E612 HydrophobicContact CE2-CB 3.77Å; Y578-E612 HydrophobicContact CE2-CG 4.46Å; Y578-I614 HydrophobicContact CD2-CD1 4.4Å; Y578-M634 HydrophobicContact CD1-CE 4.17Å; Y578-M634 HydrophobicContact CE1-CE 3.78Å; Y578-M634 HydrophobicContact CE2-CB 4.25Å; Y578-M634 HydrophobicContact CE2-CG 3.97Å; Y578-M634 WeakPolarHBondContact OH-CB 3.27Å
579H93.5Very high92Very high108 Ų10850.1 Ų50.150%0.530%0.297SS..EExtended strand (participates in β ladder)trans-105.5124.6161.6-174.2-93.9000108.8I602 T603 I605H579-I602 CarbonylContact O-C 3.52Å; H579-I602 WeakPolarHBondContact O-CA 3.37Å; H579-T603 PolarHBondContact N-O 2.78Å; H579-T603 PolarHBondContact O-N 3.42Å; H579-I605 HydrophobicContact CB-CD1 3.96Å; H579-I605 HydrophobicContact CB-CG1 4.11Å
580V94.3Very high91.6Very high4 Ų450.1 Ų50.12%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-120.2130.9-178.9-176.50000110.2I571 F573 V583 S600 S601 I602I571-V580 HydrophobicContact CD1-CG1 4.1Å; I571-V580 HydrophobicContact CG2-CG1 4.13Å; F573-V580 HydrophobicContact CB-CG2 4.15Å; F573-V580 HydrophobicContact CD1-CB 3.81Å; F573-V580 HydrophobicContact CD1-CG2 3.57Å; F573-V580 HydrophobicContact CD2-CB 4.44Å; F573-V580 HydrophobicContact CD2-CG2 3.72Å; F573-V580 HydrophobicContact CE1-CB 3.59Å; F573-V580 HydrophobicContact CE1-CG2 3.83Å; F573-V580 HydrophobicContact CE2-CB 4.23Å; F573-V580 HydrophobicContact CE2-CG2 3.95Å; F573-V580 HydrophobicContact CG-CB 4.25Å; F573-V580 HydrophobicContact CG-CG2 3.52Å; F573-V580 HydrophobicContact CZ-CB 3.8Å; F573-V580 HydrophobicContact CZ-CG2 4Å; V580-V583 WeakPolarHBondContact O-CG2 3.31Å; V580-S600 WeakPolarHBondContact CG1-OG 3.15Å; V580-S601 WeakPolarHBondContact CA-O 3.5Å; V580-I602 HydrophobicContact CG1-CG1 4.14Å; V580-I602 HydrophobicContact CG2-CB 4.32Å; V580-I602 HydrophobicContact CG2-CG1 3.94Å; V580-I602 HydrophobicContact CG2-CG2 3.99Å
581N94.1Very high91.1Very high103 Ų10353.8 Ų53.855%0.55131%0.308SS*.EExtended strand (participates in β ladder)trans-146.5127.8176.4-174.239.7000112S600 S601N581-S600 PolarHBondContact O-OG 3.23Å; N581-S600 VanDerWaalsContact O-OG 3.09Å; N581-S601 PolarHBondContact N-O 2.9Å; N581-S601 PolarHBondContact O-N 2.87Å
582P95.2Very high90.4Very high53 Ų5354.3 Ų54.334%0.34431%0.311SS..  cis-77.1142.6-6.931.7-36.7000114.2I585 S600P582-I585 HydrophobicContact CB-CG1 4.46Å; P582-I585 HydrophobicContact CG-CD1 4.24Å; P582-I585 HydrophobicContact CG-CG1 3.82Å; P582-S600 PolarHBondContact O-OG 2.78Å; P582-S600 VanDerWaalsContact O-OG 3.05Å
583V93.7Very high89.6Confident53 Ų5355.4 Ų55.432%0.32133%0.325SS..SBendtrans-75.7-31176.2-177.20000112.8L570 I571 F573 V580L570-V583 HydrophobicContact CD1-CG1 4.33Å; I571-V583 PolarHBondContact N-O 3.43Å; I571-V583 WeakPolarHBondContact O-CG1 2.89Å; F573-V583 HydrophobicContact CE1-CG1 4.04Å; F573-V583 HydrophobicContact CE1-CG2 3.72Å; F573-V583 HydrophobicContact CZ-CG2 4.08Å; V580-V583 WeakPolarHBondContact O-CG2 3.31Å
584L94Very high89.1Confident87 Ų8759 Ų5946%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-125.1118.2-179.4-176.971.3000109.7Y568 I569 L570 I619Y568-L584 HydrophobicContact CD1-CD1 4.15Å; Y568-L584 HydrophobicContact CD1-CD2 4.3Å; Y568-L584 HydrophobicContact CD1-CG 4.06Å; Y568-L584 HydrophobicContact CG-CD1 4.36Å; I569-L584 CarbonylContact O-C 3.49Å; I569-L584 WeakPolarHBondContact O-CA 3.28Å; L570-L584 HydrophobicContact CB-CD1 4.21Å; L570-L584 HydrophobicContact CD1-CD1 4.18Å; L584-I619 HydrophobicContact CD1-CD1 4.4Å
585I94.3Very high88.9Confident14 Ų1461.8 Ų61.87%0.07235%0.35CS..EExtended strand (participates in β ladder)trans-113.6117.8-175.7-51.3176.2000109.7Y568 I569 I571 P582 V587 Y598Y568-I585 CarbonylContact C-O 3.59Å; Y568-I585 VanDerWaalsContact CA-O 3.28Å; Y568-I585 WeakPolarHBondContact CA-O 3.01Å; I569-I585 HydrophobicContact CB-CB 4.16Å; I569-I585 PolarHBondContact N-O 3.22Å; I569-I585 PolarHBondContact O-N 3.31Å; I571-I585 HydrophobicContact CD1-CD1 4.45Å; P582-I585 HydrophobicContact CB-CG1 4.46Å; P582-I585 HydrophobicContact CG-CD1 4.24Å; P582-I585 HydrophobicContact CG-CG1 3.82Å; I585-V587 PolarHBondContact O-N 2.69Å; I585-Y598 HydrophobicContact CG2-CD1 3.56Å; I585-Y598 HydrophobicContact CG2-CE1 4.28Å; I585-Y598 HydrophobicContact CG2-CG 4.05Å
586P93Very high89.1Confident85 Ų8560.6 Ų60.655%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-67.7125.8170.727.6-31.7000110.1Y568Y568-P586 HydrophobicContact CD1-CB 4.06Å; Y568-P586 HydrophobicContact CE1-CB 3.71Å
587V91.1Very high89.4Confident13 Ų1362.4 Ų62.48%0.07932%0.324CS..PPolyproline II helixtrans-91.8126.9178.6-179.60000108.4I553 L567 I569 I585 I590 Y598I553-V587 HydrophobicContact CD1-CG1 4.16Å; I553-V587 HydrophobicContact CD1-CG2 3.93Å; L567-V587 HydrophobicContact CB-CB 3.89Å; L567-V587 HydrophobicContact CB-CG1 4.25Å; L567-V587 HydrophobicContact CB-CG2 4.32Å; L567-V587 WeakPolarHBondContact O-CB 3.49Å; L567-V587 PolarHBondContact O-N 3.36Å; I569-V587 HydrophobicContact CD1-CG2 3.89Å; I569-V587 HydrophobicContact CG1-CG2 3.66Å; I585-V587 PolarHBondContact O-N 2.69Å; V587-I590 HydrophobicContact CG1-CD1 3.87Å; V587-I590 HydrophobicContact CG1-CG1 3.92Å; V587-Y598 WeakPolarHBondContact CA-OH 3.24Å; V587-Y598 HydrophobicContact CB-CE2 4.39Å; V587-Y598 HydrophobicContact CG1-CE2 3.85Å; V587-Y598 WeakPolarHBondContact CG1-OH 3.07Å; V587-Y598 HydrophobicContact CG2-CE2 4.21Å
588A89Confident89.8Confident56 Ų5663.8 Ų63.846%0.46333%0.329SS..PPolyproline II helixtrans-60.6161.2173.300000111.3I590 Y598A588-I590 WeakPolarHBondContact O-CG1 3.32Å; A588-I590 PolarHBondContact O-N 3.07Å; A588-I590 VanDerWaalsContact O-N 3.07Å; A588-Y598 PolarHBondContact N-OH 3.32Å
589T87.1Confident90Very high52 Ų5267 Ų6732%0.31935%0.35SS..PPolyproline II helixtrans-50.1118173.5-60.90000110.9T563 L564 N565 Y591 Y596T563-T589 HydrophobicContact CG2-CG2 4.09Å; L564-T589 WeakPolarHBondContact O-CA 3.27Å; N565-T589 WeakPolarHBondContact OD1-CB 3.44Å; N565-T589 WeakPolarHBondContact OD1-CG2 3.37Å; N565-T589 PolarHBondContact OD1-OG1 2.94Å; T589-Y591 HydrophobicContact CG2-CD2 4.24Å; T589-Y591 HydrophobicContact CG2-CE2 3.78Å; T589-Y596 PolarHBondContact O-OH 3.04Å; T589-Y596 VanDerWaalsContact O-OH 3.06Å
590I85.1Confident90.1Very high0 Ų062 Ų620%033%0.326CS..BIsolated β-bridgetrans-86.9119.8-179.5-54.5-178000108.2I553 Q555 T563 L564 L567 V587 A588 Y596I553-I590 HydrophobicContact CB-CD1 4.38Å; I553-I590 HydrophobicContact CG2-CD1 3.5Å; Q555-I590 HydrophobicContact CB-CG2 3.9Å; Q555-I590 PolarHBondContact OE1-O 2.98Å; T563-I590 WeakPolarHBondContact CA-O 3.32Å; L564-I590 HydrophobicContact CB-CB 4.23Å; L564-I590 PolarHBondContact N-O 3.12Å; L564-I590 PolarHBondContact O-N 2.83Å; L567-I590 HydrophobicContact CD1-CD1 3.57Å; L567-I590 HydrophobicContact CD1-CG1 4.37Å; V587-I590 HydrophobicContact CG1-CD1 3.87Å; V587-I590 HydrophobicContact CG1-CG1 3.92Å; A588-I590 WeakPolarHBondContact O-CG1 3.32Å; A588-I590 PolarHBondContact O-N 3.07Å; A588-I590 VanDerWaalsContact O-N 3.07Å; I590-Y596 HydrophobicContact CB-CD2 4.43Å; I590-Y596 HydrophobicContact CB-CE2 4.08Å; I590-Y596 HydrophobicContact CG1-CD2 4.27Å; I590-Y596 HydrophobicContact CG1-CE2 4.35Å; I590-Y596 HydrophobicContact CG2-CD2 3.97Å; I590-Y596 HydrophobicContact CG2-CE2 3.66Å
591Y83Confident90.1Very high125 Ų12565.3 Ų65.349%0.4935%0.35SS..PPolyproline II helixtrans-91.1145.9169.9-71.5-97.6000110.2T563 T589 C593 F594 Y596T563-Y591 HydrophobicContact CG2-CD1 3.4Å; T563-Y591 VanDerWaalsContact CG2-CD1 3.4Å; T563-Y591 HydrophobicContact CG2-CD2 4.43Å; T563-Y591 HydrophobicContact CG2-CE1 3.38Å; T563-Y591 HydrophobicContact CG2-CE2 4.42Å; T563-Y591 HydrophobicContact CG2-CG 3.97Å; T589-Y591 HydrophobicContact CG2-CD2 4.24Å; T589-Y591 HydrophobicContact CG2-CE2 3.78Å; Y591-C593 PolarHBondContact O-N 3.18Å; Y591-F594 PolarHBondContact O-N 2.94Å; Y591-Y596 WeakPolarHBondContact CD2-OH 3.25Å; Y591-Y596 PolarHBondContact N-OH 2.91Å
592P79.1Confident90.1Very high11 Ų1160.4 Ų60.47%0.07132%0.323CS..THydrogen-bonded Turntrans-51.7140.1176-27.234.7000112.4M561 F594M561-P592 HydrophobicContact CE-CB 4.03Å; M561-P592 HydrophobicContact CE-CG 4.35Å; M561-P592 HydrophobicContact SD-CB 4.43Å; M561-P592 HydrophobicContact SD-CG 4.14Å; P592-F594 WeakPolarHBondContact O-CD2 3.37Å; P592-F594 PolarHBondContact O-N 3.2Å; P592-F594 VanDerWaalsContact O-N 3.13Å
593C74.4Confident89.9Confident110 Ų11060.3 Ų60.374%0.74332%0.322SS*.THydrogen-bonded Turntrans65.62.7178-53.80000116.7Y591Y591-C593 PolarHBondContact O-N 3.18Å
594F83.1Confident89.6Confident129 Ų12958.9 Ų58.957%0.56631%0.313SS*.  trans-92.2145.4172-74.2-89.4000111.9Y591 P592 Y596Y591-F594 PolarHBondContact O-N 2.94Å; P592-F594 WeakPolarHBondContact O-CD2 3.37Å; P592-F594 PolarHBondContact O-N 3.2Å; P592-F594 VanDerWaalsContact O-N 3.13Å; F594-Y596 HydrophobicContact CB-CD2 4.39Å; F594-Y596 HydrophobicContact CB-CE2 3.56Å
595K86.5Confident89.3Confident121 Ų12159.8 Ų59.853%0.52632%0.317SS..EExtended strand (participates in β ladder)trans-103.5122.1175.6-178.2177.5-177.4-172.70109.4E552 V554E552-K595 WeakPolarHBondContact OE1-CE 3.32Å; E552-K595 IonicContact OE1-NZ 2.69Å; E552-K595 PolarHBondContact OE1-NZ 2.82Å; E552-K595 WeakPolarHBondContact OE2-CE 3.48Å; E552-K595 IonicContact OE2-NZ 2.67Å; E552-K595 PolarHBondContact OE2-NZ 3.18Å; V554-K595 HydrophobicContact CG2-CB 3.85Å; V554-K595 HydrophobicContact CG2-CD 4.32Å; V554-K595 HydrophobicContact CG2-CG 3.7Å
596Y92.7Very high88.6Confident46 Ų4665.3 Ų65.318%0.1834%0.342CS..EExtended strand (participates in β ladder)trans-107.5130.2177.8-63.3-98.3000108.9E552 I553 T589 I590 Y591 F594E552-Y596 CarbonylContact C-O 3.57Å; E552-Y596 VanDerWaalsContact CA-O 3.26Å; E552-Y596 WeakPolarHBondContact CA-O 3.35Å; I553-Y596 PolarHBondContact N-O 2.75Å; I553-Y596 PolarHBondContact O-N 2.75Å; T589-Y596 PolarHBondContact O-OH 3.04Å; T589-Y596 VanDerWaalsContact O-OH 3.06Å; I590-Y596 HydrophobicContact CB-CD2 4.43Å; I590-Y596 HydrophobicContact CB-CE2 4.08Å; I590-Y596 HydrophobicContact CG1-CD2 4.27Å; I590-Y596 HydrophobicContact CG1-CE2 4.35Å; I590-Y596 HydrophobicContact CG2-CD2 3.97Å; I590-Y596 HydrophobicContact CG2-CE2 3.66Å; Y591-Y596 WeakPolarHBondContact CD2-OH 3.25Å; Y591-Y596 PolarHBondContact N-OH 2.91Å; F594-Y596 HydrophobicContact CB-CD2 4.39Å; F594-Y596 HydrophobicContact CB-CE2 3.56Å
597R94.6Very high87.7Confident127 Ų12768.1 Ų68.148%0.47935%0.348SS..EExtended strand (participates in β ladder)trans-116.5126.7-178.1-178175.6172.9125.4-11.5109.5I550 E552I550-R597 HydrophobicContact CG2-CG 3.84Å; I550-R597 VanDerWaalsContact CG2-CZ 3.46Å; E552-R597 HydrophobicContact CG-CB 4.36Å; E552-R597 HydrophobicContact CG-CG 4.13Å; E552-R597 IonicContact OE1-NH1 2.68Å; E552-R597 PolarHBondContact OE1-NH1 3.48Å
598Y95.9Very high86.7Confident35 Ų3569.7 Ų69.714%0.13736%0.357CS..EExtended strand (participates in β ladder)trans-123.3149.3176.9-60.2-84.4000109.3I550 C551 I569 I585 V587 A588I550-Y598 WeakPolarHBondContact CA-O 3.32Å; C551-Y598 PolarHBondContact N-O 2.96Å; C551-Y598 PolarHBondContact O-N 3.48Å; I569-Y598 HydrophobicContact CD1-CD2 3.6Å; I569-Y598 HydrophobicContact CD1-CE2 4.38Å; I569-Y598 HydrophobicContact CD1-CG 3.86Å; I585-Y598 HydrophobicContact CG2-CD1 3.56Å; I585-Y598 HydrophobicContact CG2-CE1 4.28Å; I585-Y598 HydrophobicContact CG2-CG 4.05Å; V587-Y598 WeakPolarHBondContact CA-OH 3.24Å; V587-Y598 HydrophobicContact CB-CE2 4.39Å; V587-Y598 HydrophobicContact CG1-CE2 3.85Å; V587-Y598 WeakPolarHBondContact CG1-OH 3.07Å; V587-Y598 HydrophobicContact CG2-CE2 4.21Å; A588-Y598 PolarHBondContact N-OH 3.32Å
599T96Very high85.6Confident76 Ų7674.8 Ų74.847%0.46638%0.375SS..EExtended strand (participates in β ladder)trans-131.9144.5-177.555.20000111.4T548 L549 I550T548-T599 HydrophobicContact CG2-CG2 4.31Å; L549-T599 CarbonylContact O-C 3.53Å; L549-T599 WeakPolarHBondContact O-CA 3.27Å; I550-T599 HydrophobicContact CG1-CG2 3.91Å
600S95.9Very high84.8Confident2 Ų278.3 Ų78.31%0.01439%0.392CS..EExtended strand (participates in β ladder)trans-131.4139.5169.3-174.40000109.7L549 V580 N581 P582L549-S600 PolarHBondContact N-O 3.15Å; L549-S600 PolarHBondContact O-N 2.89Å; V580-S600 WeakPolarHBondContact CG1-OG 3.15Å; N581-S600 PolarHBondContact O-OG 3.23Å; N581-S600 VanDerWaalsContact O-OG 3.09Å; P582-S600 PolarHBondContact O-OG 2.78Å; P582-S600 VanDerWaalsContact O-OG 3.05Å
601S95.1Very high84.4Confident73 Ų7383.6 Ų83.651%0.5142%0.417SS..EExtended strand (participates in β ladder)trans-81137.2172.3-59.70000109.3V580 N581V580-S601 WeakPolarHBondContact CA-O 3.5Å; N581-S601 PolarHBondContact N-O 2.9Å; N581-S601 PolarHBondContact O-N 2.87Å
602I94.3Very high84.4Confident0 Ų080.3 Ų80.30%041%0.406CS..EExtended strand (participates in β ladder)trans-124.8124.9175.7-53.2172000107.5F547 L549 Y578 H579 V580 I614 M634F547-I602 HydrophobicContact CB-CB 4.19Å; F547-I602 PolarHBondContact N-O 3.12Å; F547-I602 PolarHBondContact O-N 2.85Å; L549-I602 HydrophobicContact CB-CD1 3.7Å; L549-I602 HydrophobicContact CB-CG1 4.2Å; L549-I602 HydrophobicContact CD1-CD1 4.38Å; L549-I602 HydrophobicContact CG-CD1 4.45Å; Y578-I602 HydrophobicContact CD1-CG2 3.57Å; Y578-I602 HydrophobicContact CE1-CG2 4.37Å; Y578-I602 HydrophobicContact CG-CG2 3.92Å; H579-I602 CarbonylContact O-C 3.52Å; H579-I602 WeakPolarHBondContact O-CA 3.37Å; V580-I602 HydrophobicContact CG1-CG1 4.14Å; V580-I602 HydrophobicContact CG2-CB 4.32Å; V580-I602 HydrophobicContact CG2-CG1 3.94Å; V580-I602 HydrophobicContact CG2-CG2 3.99Å; I602-I614 HydrophobicContact CD1-CD1 3.56Å; I602-I614 HydrophobicContact CG1-CD1 4.45Å; I602-I614 HydrophobicContact CG2-CD1 4.25Å; I602-M634 HydrophobicContact CB-CE 4.29Å; I602-M634 HydrophobicContact CD1-CE 3.64Å; I602-M634 HydrophobicContact CD1-SD 4.15Å; I602-M634 HydrophobicContact CG2-CE 3.63Å
603T90.9Very high84.8Confident51 Ų5183.5 Ų83.531%0.31342%0.42SS..EExtended strand (participates in β ladder)trans-115.3129.9176.7-48.40000109P545 E546 Y578 H579P545-T603 CarbonylContact O-C 3.6Å; E546-T603 HydrophobicContact CG-CG2 4.41Å; Y578-T603 CarbonylContact C-O 3.36Å; Y578-T603 WeakPolarHBondContact CA-O 3.2Å; H579-T603 PolarHBondContact N-O 2.78Å; H579-T603 PolarHBondContact O-N 3.42Å
604L87.4Confident85.6Confident24 Ų2478.3 Ų78.313%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-73.6122.8172.4-17573.7000109.4P545 V577 Y578 H606 E607P545-L604 HydrophobicContact CB-CB 4.16Å; P545-L604 WeakPolarHBondContact O-CB 3.43Å; P545-L604 PolarHBondContact O-N 2.74Å; V577-L604 HydrophobicContact CG1-CD1 3.79Å; Y578-L604 HydrophobicContact CD1-CB 4.36Å; Y578-L604 HydrophobicContact CD1-CD1 3.88Å; Y578-L604 HydrophobicContact CE1-CB 4.25Å; Y578-L604 HydrophobicContact CE1-CD1 3.37Å; Y578-L604 HydrophobicContact CE1-CG 4.43Å; L604-H606 WeakPolarHBondContact CD1-O 3.18Å; L604-E607 HydrophobicContact CD2-CG 4.22Å
605I86.1Confident86Confident106 Ų10676.3 Ų76.354%0.54438%0.376SS..  trans-93.6-39.2176.3-52.2163.1000110V577 H579V577-I605 PolarHBondContact O-N 2.8Å; H579-I605 HydrophobicContact CB-CD1 3.96Å; H579-I605 HydrophobicContact CB-CG1 4.11Å
606H79.8Confident86.2Confident130 Ų13070.6 Ų70.660%0.60235%0.351SS*.SBendtrans-138.2125-173.1-142.5-33.2000110.9V577 L604V577-H606 PolarHBondContact O-N 3Å; L604-H606 WeakPolarHBondContact CD1-O 3.18Å
607E74.6Confident86Confident144 Ų14469.9 Ų69.967%0.67335%0.349SS*.  trans-63.1134.4176.4-70.5-176.1166.800112L604L604-E607 HydrophobicContact CD2-CG 4.22Å
608T69.9Low85.7Confident46 Ų4663.8 Ų63.828%0.28233%0.326SS..  trans-120.9141.6175.854.40000110.2V577 N610 E612V577-T608 HydrophobicContact CB-CG2 4.45Å; V577-T608 HydrophobicContact CG1-CG2 3.83Å; V577-T608 HydrophobicContact CG2-CG2 3.71Å; T608-N610 VanDerWaalsContact C-N 3.29Å; T608-N610 PolarHBondContact OG1-O 2.77Å; T608-N610 VanDerWaalsContact OG1-O 3.12Å; T608-E612 HydrophobicContact CG2-CG 4.44Å
609I66.2Low85.3Confident163 Ų16363.7 Ų63.784%0.83633%0.327SS*.SBendtrans-73.5-26.6175.8-57.4168.7000111
610N71.3Confident84.8Confident126 Ų12660.8 Ų60.867%0.67431%0.309SS*.SBendtrans-99.2148.6-177.5-64.1-21.8000111.5T608 E612T608-N610 VanDerWaalsContact C-N 3.29Å; T608-N610 PolarHBondContact OG1-O 2.77Å; T608-N610 VanDerWaalsContact OG1-O 3.12Å; N610-E612 PolarHBondContact O-N 3.1Å
611E75.5Confident84Confident111 Ų11168.1 Ų68.152%0.51934%0.34SS..  trans-62.3114.3166.4-65.9179.2169.600109.8K633 I636E611-K633 WeakPolarHBondContact OE2-CD 3.19Å; E611-K633 IonicContact OE2-NZ 3.19Å; E611-K633 PolarHBondContact OE2-NZ 3.12Å; E611-I636 HydrophobicContact CG-CG1 4.46Å
612E83.9Confident83Confident55 Ų5573.2 Ų73.226%0.25736%0.356SS..  trans-85.2157.9172-81.8-77.6-173.500111.1N574 V577 Y578 T608 N610 M634N574-E612 PolarHBondContact ND2-OE1 3.39Å; V577-E612 HydrophobicContact CG1-CG 4.34Å; V577-E612 HydrophobicContact CG2-CG 4.43Å; Y578-E612 HydrophobicContact CE2-CB 3.77Å; Y578-E612 HydrophobicContact CE2-CG 4.46Å; T608-E612 HydrophobicContact CG2-CG 4.44Å; N610-E612 PolarHBondContact O-N 3.1Å; E612-M634 PolarHBondContact O-N 2.93Å
613E87.4Confident82Confident78 Ų7875.6 Ų75.636%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-118.6131-178.1-172.9-176.8-131.600111.1K615 S631E613-K615 WeakPolarHBondContact OE2-CE 3.16Å; E613-S631 WeakPolarHBondContact OE1-CB 3.47Å; E613-S631 PolarHBondContact OE1-OG 2.95Å
614I90.6Very high80.9Confident1 Ų178.9 Ų78.91%0.00540%0.398CS..EExtended strand (participates in β ladder)trans-103.1132.4170.4-66.1-175.5000109I571 F573 Y578 I602 V616 S631 V632 M634I571-I614 HydrophobicContact CG2-CG2 3.47Å; I571-I614 VanDerWaalsContact CG2-CG2 3.47Å; F573-I614 HydrophobicContact CB-CD1 4.22Å; F573-I614 HydrophobicContact CB-CG1 3.99Å; Y578-I614 HydrophobicContact CD2-CD1 4.4Å; I602-I614 HydrophobicContact CD1-CD1 3.56Å; I602-I614 HydrophobicContact CG1-CD1 4.45Å; I602-I614 HydrophobicContact CG2-CD1 4.25Å; I614-V616 HydrophobicContact CG2-CG2 4.48Å; I614-S631 WeakPolarHBondContact O-CA 3.32Å; I614-V632 PolarHBondContact N-O 2.9Å; I614-V632 PolarHBondContact O-N 3.41Å; I614-M634 HydrophobicContact CD1-CE 3.72Å; I614-M634 HydrophobicContact CD1-CG 3.8Å; I614-M634 HydrophobicContact CD1-SD 3.54Å; I614-M634 VanDerWaalsContact CD1-SD 3.54Å; I614-M634 HydrophobicContact CG1-CG 3.81Å; I614-M634 HydrophobicContact CG1-SD 4.08Å
615K91Very high80.2Confident88 Ų8883.5 Ų83.538%0.38342%0.417SS..EExtended strand (participates in β ladder)trans-107126.5-179.9-63.1-179.5-178.6177.60110.4L572 E613 F617L572-K615 HydrophobicContact CB-CB 4.4Å; L572-K615 PolarHBondContact N-O 3.19Å; L572-K615 PolarHBondContact O-N 3.12Å; E613-K615 WeakPolarHBondContact OE2-CE 3.16Å; K615-F617 HydrophobicContact CB-CD2 4.44Å; K615-F617 HydrophobicContact CB-CE2 3.5Å; K615-F617 VanDerWaalsContact CB-CE2 3.5Å; K615-F617 HydrophobicContact CB-CZ 3.82Å; K615-F617 HydrophobicContact CD-CZ 4.27Å
616V91.4Very high79.8Confident0 Ų079.5 Ų79.50%040%0.398CS..EExtended strand (participates in β ladder)trans-112.3126.4-179.9-176.10000109.1L536 V538 L549 I569 I614 S629 S630L536-V616 HydrophobicContact CD2-CB 4.47Å; L536-V616 HydrophobicContact CD2-CG1 4.07Å; V538-V616 HydrophobicContact CG1-CG2 3.83Å; V538-V616 HydrophobicContact CG2-CB 4.08Å; V538-V616 HydrophobicContact CG2-CG1 4.18Å; V538-V616 HydrophobicContact CG2-CG2 4.27Å; L549-V616 HydrophobicContact CD2-CG2 3.93Å; I569-V616 HydrophobicContact CG2-CG1 3.51Å; I614-V616 HydrophobicContact CG2-CG2 4.48Å; V616-S629 CarbonylContact O-C 3.57Å; V616-S629 WeakPolarHBondContact O-CA 3.35Å; V616-S630 PolarHBondContact N-O 2.88Å; V616-S630 PolarHBondContact O-N 3.47Å
617F88.4Confident79.8Confident31 Ų3173.7 Ų73.714%0.13637%0.371CS..EExtended strand (participates in β ladder)trans-120.6137.3-179.4-59.7-85.4000110.1I569 L570 L572 K615 I619 P626 I628I569-F617 CarbonylContact C-O 3.54Å; I569-F617 WeakPolarHBondContact CA-O 3.44Å; L570-F617 HydrophobicContact CB-CB 4.44Å; L570-F617 PolarHBondContact N-O 3.34Å; L570-F617 PolarHBondContact O-N 3.03Å; L572-F617 HydrophobicContact CB-CE2 4.23Å; L572-F617 HydrophobicContact CD1-CD2 4.11Å; L572-F617 HydrophobicContact CD1-CE2 3.53Å; L572-F617 HydrophobicContact CD1-CZ 4.35Å; L572-F617 HydrophobicContact CG-CD2 4.09Å; L572-F617 HydrophobicContact CG-CE2 3.82Å; K615-F617 HydrophobicContact CB-CD2 4.44Å; K615-F617 HydrophobicContact CB-CE2 3.5Å; K615-F617 VanDerWaalsContact CB-CE2 3.5Å; K615-F617 HydrophobicContact CB-CZ 3.82Å; K615-F617 HydrophobicContact CD-CZ 4.27Å; F617-I619 HydrophobicContact CB-CG2 4.3Å; F617-P626 HydrophobicContact CB-CB 4.22Å; F617-P626 HydrophobicContact CD1-CB 3.6Å; F617-P626 HydrophobicContact CD1-CG 4.08Å; F617-P626 HydrophobicContact CE1-CB 4.45Å; F617-P626 HydrophobicContact CE1-CG 4.49Å; F617-P626 HydrophobicContact CG-CB 4.32Å; F617-I628 WeakPolarHBondContact CA-O 3.33Å
618V88.7Confident80.1Confident0 Ų067.7 Ų67.70%034%0.343CS..EExtended strand (participates in β ladder)trans-97.1123162.5-179.90000107.7L536 I553 L567 Y568 I569 I627 I628L536-V618 HydrophobicContact CD1-CG2 4.12Å; L536-V618 HydrophobicContact CD2-CG2 4.16Å; I553-V618 HydrophobicContact CD1-CG2 3.95Å; L567-V618 HydrophobicContact CB-CG1 4.32Å; L567-V618 HydrophobicContact CD2-CG1 4.15Å; Y568-V618 CarbonylContact O-C 3.55Å; Y568-V618 VanDerWaalsContact O-CA 3.31Å; Y568-V618 WeakPolarHBondContact O-CA 3.41Å; I569-V618 HydrophobicContact CG1-CG2 4.4Å; V618-I627 WeakPolarHBondContact O-CB 3.37Å; V618-I627 PolarHBondContact O-N 3.04Å; V618-I628 HydrophobicContact CB-CG2 3.6Å; V618-I628 HydrophobicContact CG2-CG2 3.61Å; V618-I628 PolarHBondContact N-O 3.11Å
619I87.4Confident80.8Confident32 Ų3266 Ų6616%0.16433%0.333CS..EExtended strand (participates in β ladder)trans-120156.7179.762.1176.3000109.9L567 Y568 L570 L584 F617 P626L567-I619 CarbonylContact C-O 3.54Å; L567-I619 WeakPolarHBondContact CA-O 3.24Å; Y568-I619 PolarHBondContact N-O 2.85Å; Y568-I619 PolarHBondContact O-N 3.42Å; L570-I619 HydrophobicContact CB-CD1 4.31Å; L584-I619 HydrophobicContact CD1-CD1 4.4Å; F617-I619 HydrophobicContact CB-CG2 4.3Å; I619-P626 HydrophobicContact CG2-CB 4.48Å
620N84.9Confident81.7Confident15 Ų1559.6 Ų59.68%0.0830%0.303CS..EExtended strand (participates in β ladder)trans-97.3141.7170-175.4-35.9000108.7Y530 Q622 S623 I627Y530-N620 PolarHBondContact OH-ND2 2.92Å; N620-Q622 PolarHBondContact O-N 3.32Å; N620-Q622 PolarHBondContact OD1-N 3.39Å; N620-S623 CarbonylContact O-C 3.58Å; N620-S623 PolarHBondContact O-N 3Å; N620-I627 HydrophobicContact CB-CD1 4.01Å
621K79.4Confident82.4Confident157 Ų15756.3 Ų56.368%0.68329%0.29SS*.THydrogen-bonded Turntrans-46.7-32.8173.7-163.5173.6179.51760114.2G566 Y568G566-K621 PolarHBondContact O-N 3.25Å; Y568-K621 HydrophobicContact CD2-CB 4.43Å; Y568-K621 HydrophobicContact CE2-CB 3.93Å; Y568-K621 HydrophobicContact CE2-CD 4.26Å; Y568-K621 HydrophobicContact CE2-CG 4.08Å
622Q74.6Confident83Confident180 Ų18052 Ų5284%0.84127%0.272SS*.THydrogen-bonded Turntrans-90.4-8.8-176.4-64.2-178.7-13.600114.5N620N620-Q622 PolarHBondContact O-N 3.32Å; N620-Q622 PolarHBondContact OD1-N 3.39Å
623S72.6Confident83.3Confident49 Ų4955.9 Ų55.934%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-138129.3-173.9172.20000111.2N620 K625N620-S623 CarbonylContact O-C 3.58Å; N620-S623 PolarHBondContact O-N 3Å; S623-K625 PolarHBondContact O-N 3.19Å; S623-K625 WeakPolarHBondContact OG-CB 3.46Å; S623-K625 PolarHBondContact OG-N 2.89Å; S623-K625 VanDerWaalsContact OG-N 3.09Å
624S67.7Low83.3Confident120 Ų12052.2 Ų52.284%0.83927%0.27SS*.EExtended strand (participates in β ladder)trans-72.2-9.7171.155.50000113.5
625K73Confident83Confident121 Ų12154.7 Ų54.753%0.52629%0.286SS..EExtended strand (participates in β ladder)trans-80.1129.7179.6-61.9-174.2178.5-175.20111S623S623-K625 PolarHBondContact O-N 3.19Å; S623-K625 WeakPolarHBondContact OG-CB 3.46Å; S623-K625 PolarHBondContact OG-N 2.89Å; S623-K625 VanDerWaalsContact OG-N 3.09Å
626P78Confident82.5Confident22 Ų2255.7 Ų55.714%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-66.6135.5176.428.5-33.6000111.1Y521 V527 F617 I619Y521-P626 HydrophobicContact CD1-CG 4.38Å; Y521-P626 HydrophobicContact CG-CG 4.3Å; V527-P626 WeakPolarHBondContact CG2-O 3.27Å; F617-P626 HydrophobicContact CB-CB 4.22Å; F617-P626 HydrophobicContact CD1-CB 3.6Å; F617-P626 HydrophobicContact CD1-CG 4.08Å; F617-P626 HydrophobicContact CE1-CB 4.45Å; F617-P626 HydrophobicContact CE1-CG 4.49Å; F617-P626 HydrophobicContact CG-CB 4.32Å; I619-P626 HydrophobicContact CG2-CB 4.48Å
627I78.8Confident81.6Confident8 Ų856.8 Ų56.84%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-77-47175.3-69.4166.8000110.1V527 Y530 L567 V618 N620V527-I627 PolarHBondContact N-O 3.15Å; Y530-I627 VanDerWaalsContact CB-CG2 3.49Å; Y530-I627 HydrophobicContact CD1-CD1 4.25Å; Y530-I627 HydrophobicContact CG-CD1 4.08Å; Y530-I627 HydrophobicContact CG-CG1 4.26Å; L567-I627 HydrophobicContact CD2-CD1 3.4Å; V618-I627 WeakPolarHBondContact O-CB 3.37Å; V618-I627 PolarHBondContact O-N 3.04Å; N620-I627 HydrophobicContact CB-CD1 4.01Å
628I81.6Confident80.7Confident18 Ų1861.3 Ų61.39%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-143.8137176.9-174.5160.7000107.8L536 F617 V618L536-I628 HydrophobicContact CB-CD1 3.87Å; L536-I628 HydrophobicContact CB-CG1 4.12Å; L536-I628 HydrophobicContact CB-CG2 3.88Å; L536-I628 HydrophobicContact CD2-CG2 4.35Å; F617-I628 WeakPolarHBondContact CA-O 3.33Å; V618-I628 HydrophobicContact CB-CG2 3.6Å; V618-I628 HydrophobicContact CG2-CG2 3.61Å; V618-I628 PolarHBondContact N-O 3.11Å
629S83.9Confident79.4Confident11 Ų1166 Ų668%0.07735%0.354CS..EExtended strand (participates in β ladder)trans-114.7152.1173.157.30000108.9Y521 N523 P524 V616Y521-S629 PolarHBondContact O-OG 3.06Å; N523-S629 PolarHBondContact O-OG 3.09Å; P524-S629 WeakPolarHBondContact CA-O 3.46Å; P524-S629 WeakPolarHBondContact CB-O 3.34Å; V616-S629 CarbonylContact O-C 3.57Å; V616-S629 WeakPolarHBondContact O-CA 3.35Å
630S85.2Confident78Confident29 Ų2969.2 Ų69.220%0.20338%0.38CS..EExtended strand (participates in β ladder)trans-145.9143.9169.3178.60000107.3V616V616-S630 PolarHBondContact N-O 2.88Å; V616-S630 PolarHBondContact O-N 3.47Å
631S87.6Confident76.2Confident56 Ų5675.7 Ų75.739%0.39242%0.42SS..EExtended strand (participates in β ladder)trans-119.9138.3175.971.70000110.1E613 I614E613-S631 WeakPolarHBondContact OE1-CB 3.47Å; E613-S631 PolarHBondContact OE1-OG 2.95Å; I614-S631 WeakPolarHBondContact O-CA 3.32Å
632V88Confident74.3Confident22 Ų2280.3 Ų80.313%0.13344%0.444CS..EExtended strand (participates in β ladder)trans-124.2122.7-178.5-176.90000108.4V538 V540 I614V538-V632 HydrophobicContact CB-CG2 3.68Å; V538-V632 HydrophobicContact CG1-CG2 3.45Å; V538-V632 VanDerWaalsContact CG1-CG2 3.45Å; V540-V632 HydrophobicContact CB-CG1 4.26Å; V540-V632 HydrophobicContact CG2-CB 4.36Å; V540-V632 HydrophobicContact CG2-CG1 3.56Å; I614-V632 PolarHBondContact N-O 2.9Å; I614-V632 PolarHBondContact O-N 3.41Å
633K88.7Confident74.3Confident135 Ų13575.3 Ų75.359%0.58742%0.424SS*.EExtended strand (participates in β ladder)trans-71.6127.3169.1-69.7-179.3152.9-143.90109.2E611E611-K633 WeakPolarHBondContact OE2-CD 3.19Å; E611-K633 IonicContact OE2-NZ 3.19Å; E611-K633 PolarHBondContact OE2-NZ 3.12Å
634M88.4Confident74.4Confident2 Ų276.7 Ų76.71%0.0143%0.428CS..PPolyproline II helixtrans-79.1132.8178.8-68.2-65.5-83.100109.7V540 F547 Y578 I602 E612 I614V540-M634 HydrophobicContact CB-SD 4.46Å; V540-M634 HydrophobicContact CG1-CE 4.34Å; V540-M634 HydrophobicContact CG1-SD 3.99Å; V540-M634 HydrophobicContact CG2-SD 3.79Å; F547-M634 HydrophobicContact CB-CE 4.29Å; F547-M634 HydrophobicContact CD2-CE 3.9Å; F547-M634 HydrophobicContact CE2-CE 4.42Å; F547-M634 HydrophobicContact CG-CE 4.08Å; Y578-M634 HydrophobicContact CD1-CE 4.17Å; Y578-M634 HydrophobicContact CE1-CE 3.78Å; Y578-M634 HydrophobicContact CE2-CB 4.25Å; Y578-M634 HydrophobicContact CE2-CG 3.97Å; Y578-M634 WeakPolarHBondContact OH-CB 3.27Å; I602-M634 HydrophobicContact CB-CE 4.29Å; I602-M634 HydrophobicContact CD1-CE 3.64Å; I602-M634 HydrophobicContact CD1-SD 4.15Å; I602-M634 HydrophobicContact CG2-CE 3.63Å; E612-M634 PolarHBondContact O-N 2.93Å; I614-M634 HydrophobicContact CD1-CE 3.72Å; I614-M634 HydrophobicContact CD1-CG 3.8Å; I614-M634 HydrophobicContact CD1-SD 3.54Å; I614-M634 VanDerWaalsContact CD1-SD 3.54Å; I614-M634 HydrophobicContact CG1-CG 3.81Å; I614-M634 HydrophobicContact CG1-SD 4.08Å
635P83.6Confident74.8Confident53 Ų5374.3 Ų74.334%0.34441%0.405SS..PPolyproline II helixtrans-63.9146.8172.327.7-32.9000110V540 F547 S637V540-P635 HydrophobicContact CG1-CG 4.45Å; F547-P635 HydrophobicContact CD1-CG 4.08Å; F547-P635 HydrophobicContact CE1-CG 3.61Å; F547-P635 HydrophobicContact CZ-CG 4.39Å; P635-S637 PolarHBondContact O-N 3.29Å
636I80.4Confident74.9Confident109 Ų10971.5 Ų71.556%0.55940%0.398SS*.PPolyproline II helixtrans-66.6131.1173.2-56.5171.8000107.5E611E611-I636 HydrophobicContact CG-CG1 4.46Å
637S73.6Confident74.7Confident22 Ų2274.6 Ų74.615%0.15441%0.414CS..PPolyproline II helixtrans-64.1134.6177.6-171.90000109.7L543 G544 P635L543-S637 WeakPolarHBondContact O-CA 3.34Å; G544-S637 WeakPolarHBondContact CA-OG 3.22Å; P635-S637 PolarHBondContact O-N 3.29Å
638E68.8Low74.4Confident126 Ų12679.1 Ų79.159%0.58944%0.439SS*.PPolyproline II helixtrans-65.6138.6165.4-77.1-174.5163.900108.9L543 S640L543-E638 PolarHBondContact O-N 2.79Å; E638-S640 PolarHBondContact O-N 3.42Å
639P61Low73.9Confident99 Ų9983.4 Ų83.464%0.64346%0.464SS*.PPolyproline II helixtrans-61.1130.7172.924.3-30.9000108.6T641P639-T641 PolarHBondContact O-N 3.28Å; P639-T641 VanDerWaalsContact O-N 3.12Å
640S57.2Low73.1Confident100 Ų10089 Ų8970%0.69949%0.494SS*.PPolyproline II helixtrans-56.4118.8174.652.30000109.3E638 E642E638-S640 PolarHBondContact O-N 3.42Å; S640-E642 PolarHBondContact O-N 2.83Å; S640-E642 VanDerWaalsContact O-N 3.12Å
641T47.9Very low72.1Confident150 Ų15094 Ų9492%0.9252%0.518SS*.  trans-79.328.1177.735.10000113.6P639P639-T641 PolarHBondContact O-N 3.28Å; P639-T641 VanDerWaalsContact O-N 3.12Å
642E40Very low70.7Confident254 Ų25497.5 Ų97.5100%1.18753%0.53SS*.  trans-87.50172.2-75.2-166.7164.400112.7S640S640-E642 PolarHBondContact O-N 2.83Å; S640-E642 VanDerWaalsContact O-N 3.12Å

Retrieved 642 of 642 residues in 230.5 ms (Link to these results)

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