A0A087XSA5_POEFO Loading...

Integrator complex subunit 11

AlphaFold DB , UniProt , Accession A0A087XSA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 599 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
1M64.9Low93.2Very high169 Ų16937.3 Ų37.383%0.83319%0.185SC*.  0149.90-75173.6-179.800107T447M1-T447 HydrophobicContact CB-CG2 3.41Å; M1-T447 VanDerWaalsContact CB-CG2 3.41Å; M1-T447 HydrophobicContact CG-CG2 4.14Å; M1-T447 HydrophobicContact SD-CG2 3.65Å
2P85.9Confident93.4Very high47 Ų4734.3 Ų34.331%0.30517%0.171SC..  trans-56.8146.9171.422.5-28.3000110.3T448 P450P2-T448 WeakPolarHBondContact CB-OG1 3.5Å; P2-T448 WeakPolarHBondContact CG-OG1 3.5Å; P2-T448 PolarHBondContact O-N 3.18Å; P2-T448 PolarHBondContact O-OG1 3.04Å; P2-P450 HydrophobicContact CG-CB 4.11Å; P2-P450 HydrophobicContact CG-CG 4.09Å
3E93.6Very high93.6Very high87 Ų8736.7 Ų36.741%0.40718%0.181SC..EExtended strand (participates in β ladder)trans-136.9135.9-175.7-72-178.5172.300109.4K5 V446E3-K5 WeakPolarHBondContact OE2-CE 3.48Å; E3-V446 WeakPolarHBondContact CA-O 3.4Å
4I97.6Very high93.3Very high0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-96.4126.5166.7-59.5167.9000107.6V6 V22 S23 I24 E171 V173 D198 I199 A445 V446 T448I4-V6 HydrophobicContact CG2-CG2 4.23Å; I4-V22 HydrophobicContact CG2-CG1 4.17Å; I4-S23 WeakPolarHBondContact CA-O 3.43Å; I4-I24 HydrophobicContact CD1-CD1 3.93Å; I4-I24 HydrophobicContact CD1-CG1 4.43Å; I4-I24 HydrophobicContact CG1-CB 4.33Å; I4-I24 HydrophobicContact CG1-CD1 4.05Å; I4-I24 HydrophobicContact CG1-CG1 4Å; I4-I24 HydrophobicContact CG2-CB 4.41Å; I4-E171 HydrophobicContact CD1-CB 4.28Å; I4-V173 HydrophobicContact CD1-CG2 4.04Å; I4-V173 HydrophobicContact CG2-CG2 3.87Å; I4-D198 HydrophobicContact CD1-CB 3.62Å; I4-I199 HydrophobicContact CB-CD1 3.85Å; I4-I199 HydrophobicContact CD1-CD1 4.35Å; I4-I199 HydrophobicContact CD1-CG1 4.28Å; I4-I199 HydrophobicContact CG2-CD1 3.54Å; I4-I199 HydrophobicContact CG2-CG1 4.49Å; I4-A445 WeakPolarHBondContact O-CA 3.21Å; I4-V446 PolarHBondContact N-O 2.88Å; I4-V446 PolarHBondContact O-N 3.24Å; I4-T448 HydrophobicContact CD1-CG2 3.52Å; I4-T448 HydrophobicContact CG1-CG2 3.7Å
5K98.4Very high92.8Very high92 Ų9234.8 Ų34.840%0.417%0.174SC..EExtended strand (participates in β ladder)trans-110132.7175.5-60.6179.9-177.6176.80110.2E3 V22 S23 T443 V444 A445E3-K5 WeakPolarHBondContact OE2-CE 3.48Å; K5-V22 CarbonylContact O-C 3.55Å; K5-V22 WeakPolarHBondContact O-CA 3.43Å; K5-S23 PolarHBondContact N-O 2.86Å; K5-S23 PolarHBondContact O-N 3.2Å; K5-T443 HydrophobicContact CB-CG2 4.01Å; K5-T443 HydrophobicContact CG-CG2 4.49Å; K5-V444 CarbonylContact C-O 3.57Å; K5-V444 VanDerWaalsContact CA-O 3.3Å; K5-V444 WeakPolarHBondContact CA-O 3.5Å; K5-A445 HydrophobicContact CG-CB 4.14Å
6V98.6Very high92.5Very high0 Ų032.9 Ų32.90%017%0.166CC..EExtended strand (participates in β ladder)trans-125.9124.2178.1-1740000109.3I4 I20 L21 V22 I199 I201 L411 T443 V444I4-V6 HydrophobicContact CG2-CG2 4.23Å; V6-I20 HydrophobicContact CG1-CG2 3.45Å; V6-I20 VanDerWaalsContact CG1-CG2 3.45Å; V6-L21 WeakPolarHBondContact CA-O 3.49Å; V6-V22 HydrophobicContact CG1-CG2 4.37Å; V6-V22 HydrophobicContact CG2-CG2 4.33Å; V6-I199 HydrophobicContact CG2-CD1 4Å; V6-I201 HydrophobicContact CG1-CD1 3.94Å; V6-I201 HydrophobicContact CG2-CD1 4.16Å; V6-L411 HydrophobicContact CB-CD1 3.67Å; V6-L411 HydrophobicContact CG1-CD1 3.66Å; V6-L411 HydrophobicContact CG1-CD2 4.37Å; V6-L411 HydrophobicContact CG2-CD1 4.12Å; V6-T443 WeakPolarHBondContact O-CA 3.4Å; V6-V444 PolarHBondContact N-O 3.24Å; V6-V444 PolarHBondContact O-N 3.39Å
7T98.6Very high92.6Very high13 Ų1333.2 Ų33.28%0.0817%0.165CC..EExtended strand (participates in β ladder)trans-126.2109.4179.2-49.60000109.4L9 L21 T443T7-L9 HydrophobicContact CG2-CD2 4.1Å; T7-L9 PolarHBondContact O-N 2.83Å; T7-L21 PolarHBondContact N-O 3.05Å; T7-L21 PolarHBondContact O-N 2.87Å; T7-T443 PolarHBondContact OG1-OG1 2.67Å
8P98.4Very high92.9Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-68.6117.5170.4-14.228.9000110P438 N440 G441 E442P8-P438 HydrophobicContact CG-CB 3.97Å; P8-P438 HydrophobicContact CG-CG 3.61Å; P8-N440 CarbonylContact O-C 3.52Å; P8-N440 WeakPolarHBondContact O-CA 3.3Å; P8-G441 PolarHBondContact O-N 3.22Å; P8-E442 WeakPolarHBondContact CD-O 3.3Å
9L97.9Very high93.2Very high2 Ų229.7 Ų29.71%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-85.6-19.7170.3-49.5-171.9000111.3T7 C19 L21 P46 D47 Y50 I51T7-L9 HydrophobicContact CG2-CD2 4.1Å; T7-L9 PolarHBondContact O-N 2.83Å; L9-C19 WeakPolarHBondContact CA-O 3.39Å; L9-C19 HydrophobicContact CB-CB 4.08Å; L9-C19 WeakPolarHBondContact CB-O 3.34Å; L9-C19 PolarHBondContact N-O 2.63Å; L9-L21 HydrophobicContact CD1-CB 4.39Å; L9-L21 HydrophobicContact CD2-CB 4.48Å; L9-L21 HydrophobicContact CG-CB 4.37Å; L9-P46 HydrophobicContact CB-CB 4.15Å; L9-D47 PolarHBondContact O-N 3.49Å; L9-D47 VanDerWaalsContact O-N 3.13Å; L9-Y50 HydrophobicContact CD2-CD2 4.14Å; L9-Y50 HydrophobicContact CD2-CG 4.22Å; L9-I51 HydrophobicContact CD1-CD1 3.57Å; L9-I51 HydrophobicContact CD1-CG1 3.76Å
10G96Very high93.5Very high0 Ų028.3 Ų28.30%014%0.14CC..EExtended strand (participates in β ladder)trans-160.4162.5170.900000110.4G12 R17 C19 N440G10-G12 PolarHBondContact O-N 3.36Å; G10-R17 CarbonylContact C-O 3.18Å; G10-R17 VanDerWaalsContact CA-O 3.3Å; G10-R17 WeakPolarHBondContact CA-O 3.49Å; G10-C19 PolarHBondContact N-O 2.94Å; G10-N440 WeakPolarHBondContact CA-OD1 3.19Å
11A94.8Very high93.7Very high0 Ų027.6 Ų27.60%014%0.137CC..  trans6214.6-173.400000116.6Q13 G16 H414 N440A11-Q13 PolarHBondContact O-N 3.47Å; A11-G16 PolarHBondContact N-O 3.25Å; A11-H414 HydrophobicContact CB-CB 4.25Å; A11-H414 PolarHBondContact O-N 2.93Å; A11-N440 PolarHBondContact N-OD1 2.93Å
12G96.4Very high95.3Very high2 Ų219.6 Ų19.62%0.02110%0.098CC..SBendtrans-77.7112.8163.500000110.1G10 D14 P438 N440G10-G12 PolarHBondContact O-N 3.36Å; G12-D14 PolarHBondContact O-N 3.28Å; G12-D14 VanDerWaalsContact O-N 3.1Å; G12-P438 CarbonylContact C-O 3.48Å; G12-P438 VanDerWaalsContact CA-O 3.23Å; G12-P438 WeakPolarHBondContact CA-O 3.42Å; G12-N440 WeakPolarHBondContact CA-OD1 3.45Å; G12-N440 PolarHBondContact N-OD1 3.5Å; G12-N440 PolarHBondContact O-ND2 3.33Å
13Q95.3Very high95.9Very high65 Ų6518.9 Ų18.930%0.3049%0.094SC..SBendtrans53.624.1-173.1-59.4-177.78.800114.9A11 G415 A417 M420 M437 A439A11-Q13 PolarHBondContact O-N 3.47Å; Q13-G415 CarbonylContact C-O 3.56Å; Q13-G415 WeakPolarHBondContact CA-O 2.95Å; Q13-A417 HydrophobicContact CB-CB 4.04Å; Q13-A417 HydrophobicContact CG-CB 4.22Å; Q13-M420 HydrophobicContact CB-SD 4.4Å; Q13-M420 HydrophobicContact CG-SD 4.07Å; Q13-M437 WeakPolarHBondContact CG-O 3.27Å; Q13-M437 PolarHBondContact NE2-O 2.94Å; Q13-A439 HydrophobicContact CG-CB 4.48Å
14D89.3Confident96.1Very high32 Ų3214.8 Ų14.817%0.1718%0.075CC..SBendtrans-139.8159.9-175.8-166.39.9000109.9G12 R17 H36 H414 G415G12-D14 PolarHBondContact O-N 3.28Å; G12-D14 VanDerWaalsContact O-N 3.1Å; D14-R17 IonicContact OD2-CZ 3.21Å; D14-R17 IonicContact OD2-NE 2.64Å; D14-R17 PolarHBondContact OD2-NE 3.5Å; D14-R17 VanDerWaalsContact OD2-NE 3.15Å; D14-R17 IonicContact OD2-NH2 3.15Å; D14-R17 PolarHBondContact OD2-NH2 3.19Å; D14-H36 IonicContact OD1-NE2 2.74Å; D14-H414 WeakPolarHBondContact O-CA 3.21Å; D14-G415 PolarHBondContact N-O 3.4Å; D14-G415 PolarHBondContact O-N 2.95Å
15V86.7Confident95.8Very high13 Ų1316.2 Ų16.28%0.0799%0.089CC..SBendtrans-115.5119.5176.2178.50000109.2H36 Y353V15-H36 PolarHBondContact O-CD2 2.67Å; V15-H36 PolarHBondContact O-NE2 2.84Å; V15-Y353 HydrophobicContact CG1-CE1 4.02Å
16G87.3Confident95.6Very high5 Ų515.6 Ų15.65%0.05211%0.11CC..SBendtrans109.6169.1-172.600000113.1A11 S18 H414A11-G16 PolarHBondContact N-O 3.25Å; G16-S18 PolarHBondContact O-N 3.38Å; G16-S18 VanDerWaalsContact O-N 3.17Å; G16-H414 PolarHBondContact N-CD2 2.84Å; G16-H414 PolarHBondContact N-NE2 3.2Å; G16-H414 VanDerWaalsContact N-NE2 3.18Å
17R94.4Very high95.5Very high37 Ų3717.5 Ų17.514%0.1412%0.118CC..  trans48.735.7-178.762.5175.6169.3165.15.3114.7G10 D14 C19 H36 R43 N440G10-R17 CarbonylContact C-O 3.18Å; G10-R17 VanDerWaalsContact CA-O 3.3Å; G10-R17 WeakPolarHBondContact CA-O 3.49Å; D14-R17 IonicContact OD2-CZ 3.21Å; D14-R17 IonicContact OD2-NE 2.64Å; D14-R17 PolarHBondContact OD2-NE 3.5Å; D14-R17 VanDerWaalsContact OD2-NE 3.15Å; D14-R17 IonicContact OD2-NH2 3.15Å; D14-R17 PolarHBondContact OD2-NH2 3.19Å; R17-C19 PolarHBondContact O-N 3.47Å; R17-C19 VanDerWaalsContact O-N 3.16Å; R17-H36 HydrophobicContact CB-CB 3.98Å; R17-H36 HydrophobicContact CG-CB 3.97Å; R17-R43 WeakPolarHBondContact CD-O 3.14Å; R17-R43 PolarHBondContact NH1-O 2.81Å; R17-N440 PolarHBondContact NH2-ND2 2.97Å
18S97.9Very high95.4Very high1 Ų119.2 Ų19.21%0.00713%0.127CC..  trans-52.6120.7-179.3-58.30000110.9G16 D32 C33 G34 D72 H73 H414G16-S18 PolarHBondContact O-N 3.38Å; G16-S18 VanDerWaalsContact O-N 3.17Å; S18-D32 CarbonylContact O-C 3.58Å; S18-D32 WeakPolarHBondContact O-CB 3.18Å; S18-C33 PolarHBondContact O-N 2.79Å; S18-G34 PolarHBondContact O-N 3.45Å; S18-D72 VanDerWaalsContact CB-O 3.25Å; S18-D72 WeakPolarHBondContact CB-O 3.48Å; S18-D72 PolarHBondContact N-O 2.74Å; S18-D72 PolarHBondContact OG-O 2.81Å; S18-H73 PolarHBondContact OG-CE1 2.8Å; S18-H414 PolarHBondContact OG-CD2 3.29Å
19C98.6Very high95.4Very high0 Ų019.2 Ų19.20%013%0.127CC..EExtended strand (participates in β ladder)trans-161.8111.7178-1730000108.1L9 G10 R17 L31 P46L9-C19 WeakPolarHBondContact CA-O 3.39Å; L9-C19 HydrophobicContact CB-CB 4.08Å; L9-C19 WeakPolarHBondContact CB-O 3.34Å; L9-C19 PolarHBondContact N-O 2.63Å; G10-C19 PolarHBondContact N-O 2.94Å; R17-C19 PolarHBondContact O-N 3.47Å; R17-C19 VanDerWaalsContact O-N 3.16Å; C19-L31 CarbonylContact C-O 3.56Å; C19-L31 WeakPolarHBondContact CA-O 3.46Å; C19-P46 HydrophobicContact CB-CB 3.5Å; C19-P46 HydrophobicContact CB-CG 3.46Å; C19-P46 VanDerWaalsContact CB-CG 3.46Å
20I98.8Very high95.5Very high0 Ų019.1 Ų19.10%013%0.126CC..EExtended strand (participates in β ladder)trans-124.5124.6-173.6-61.663.2000108.1V6 V22 M30 L31 Y175 I201 V413V6-I20 HydrophobicContact CG1-CG2 3.45Å; V6-I20 VanDerWaalsContact CG1-CG2 3.45Å; I20-V22 HydrophobicContact CG2-CG2 4.16Å; I20-M30 WeakPolarHBondContact O-CA 3.46Å; I20-L31 HydrophobicContact CB-CB 4.22Å; I20-L31 HydrophobicContact CB-CD1 4.45Å; I20-L31 HydrophobicContact CG2-CD1 4.41Å; I20-L31 PolarHBondContact N-O 3.3Å; I20-L31 PolarHBondContact O-N 3.07Å; I20-Y175 HydrophobicContact CD1-CE2 4.33Å; I20-I201 HydrophobicContact CG2-CD1 4.41Å; I20-V413 HydrophobicContact CG1-CG1 4.14Å
21L98.7Very high95.6Very high15 Ų1519.1 Ų19.18%0.07913%0.126CC..EExtended strand (participates in β ladder)trans-89.7127.6171.6-179.468.3000109.4V6 T7 L9 N28 I51 L61V6-L21 WeakPolarHBondContact CA-O 3.49Å; T7-L21 PolarHBondContact N-O 3.05Å; T7-L21 PolarHBondContact O-N 2.87Å; L9-L21 HydrophobicContact CD1-CB 4.39Å; L9-L21 HydrophobicContact CD2-CB 4.48Å; L9-L21 HydrophobicContact CG-CB 4.37Å; L21-N28 HydrophobicContact CD1-CB 4.43Å; L21-I51 HydrophobicContact CD1-CG1 4.41Å; L21-I51 HydrophobicContact CD2-CG1 4.06Å; L21-L61 HydrophobicContact CD1-CD2 3.57Å
22V98.6Very high95.8Very high0 Ų019.1 Ų19.10%013%0.126CC..EExtended strand (participates in β ladder)trans-119.1120.5174.5179.50000109.1I4 K5 V6 I20 I24 N28 I29 L31 V173 I201I4-V22 HydrophobicContact CG2-CG1 4.17Å; K5-V22 CarbonylContact O-C 3.55Å; K5-V22 WeakPolarHBondContact O-CA 3.43Å; V6-V22 HydrophobicContact CG1-CG2 4.37Å; V6-V22 HydrophobicContact CG2-CG2 4.33Å; I20-V22 HydrophobicContact CG2-CG2 4.16Å; V22-I24 HydrophobicContact CG1-CB 4.3Å; V22-I24 HydrophobicContact CG1-CG2 4.02Å; V22-N28 WeakPolarHBondContact O-CA 3.28Å; V22-I29 PolarHBondContact N-O 3.17Å; V22-I29 PolarHBondContact O-N 3.43Å; V22-L31 HydrophobicContact CG2-CD1 3.46Å; V22-L31 VanDerWaalsContact CG2-CD1 3.46Å; V22-L31 HydrophobicContact CG2-CG 4.2Å; V22-V173 HydrophobicContact CG1-CG2 4.12Å; V22-I201 HydrophobicContact CG2-CD1 3.85Å
23S98.1Very high95.9Very high32 Ų3219 Ų1922%0.22413%0.125CC..EExtended strand (participates in β ladder)trans-102.6118.9168.8-54.30000109.6I4 K5 K27 N28I4-S23 WeakPolarHBondContact CA-O 3.43Å; K5-S23 PolarHBondContact N-O 2.86Å; K5-S23 PolarHBondContact O-N 3.2Å; S23-K27 CarbonylContact C-O 3.6Å; S23-K27 WeakPolarHBondContact CA-O 3.46Å; S23-N28 WeakPolarHBondContact CB-OD1 3.32Å; S23-N28 PolarHBondContact OG-OD1 3.2Å
24I96.8Very high95.9Very high1 Ų116 Ų161%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-147.5130.9-173.8176.4166.7000109.9I4 V22 G26 K27 I29 V168 E171 V173I4-I24 HydrophobicContact CD1-CD1 3.93Å; I4-I24 HydrophobicContact CD1-CG1 4.43Å; I4-I24 HydrophobicContact CG1-CB 4.33Å; I4-I24 HydrophobicContact CG1-CD1 4.05Å; I4-I24 HydrophobicContact CG1-CG1 4Å; I4-I24 HydrophobicContact CG2-CB 4.41Å; V22-I24 HydrophobicContact CG1-CB 4.3Å; V22-I24 HydrophobicContact CG1-CG2 4.02Å; I24-G26 PolarHBondContact O-N 2.65Å; I24-G26 VanDerWaalsContact O-N 3.07Å; I24-K27 PolarHBondContact N-O 3.14Å; I24-K27 WeakPolarHBondContact O-CA 3.29Å; I24-K27 WeakPolarHBondContact O-CB 3.36Å; I24-K27 PolarHBondContact O-N 2.92Å; I24-I29 HydrophobicContact CG2-CD1 3.99Å; I24-V168 HydrophobicContact CG1-CB 4.14Å; I24-V168 HydrophobicContact CG1-CG2 4.25Å; I24-V168 HydrophobicContact CG2-CG2 3.84Å; I24-E171 HydrophobicContact CD1-CB 3.61Å; I24-E171 HydrophobicContact CG1-CB 3.78Å; I24-V173 HydrophobicContact CD1-CG2 3.96Å
25G92.5Very high96Very high30 Ų3014.6 Ų14.631%0.30910%0.104SC..THydrogen-bonded Turntrans51.932.9179.100000115.2K27 E171G25-K27 VanDerWaalsContact C-N 3.28Å; G25-K27 PolarHBondContact O-N 3.47Å; G25-E171 WeakPolarHBondContact CA-OE2 3.31Å; G25-E171 PolarHBondContact N-OE2 2.95Å; G25-E171 VanDerWaalsContact N-OE2 3.1Å
26G93Very high96.2Very high80 Ų8014.5 Ų14.583%0.82510%0.102SC*.THydrogen-bonded Turntrans79.12.8-176.300000115.5I24I24-G26 PolarHBondContact O-N 2.65Å; I24-G26 VanDerWaalsContact O-N 3.07Å
27K96.6Very high95.8Very high40 Ų4016.7 Ų16.717%0.17411%0.112CC..EExtended strand (participates in β ladder)trans-101.6145.6176.3-58.3-70.7172.4173.90111.4S23 I24 G25 D62 D145 V168S23-K27 CarbonylContact C-O 3.6Å; S23-K27 WeakPolarHBondContact CA-O 3.46Å; I24-K27 PolarHBondContact N-O 3.14Å; I24-K27 WeakPolarHBondContact O-CA 3.29Å; I24-K27 WeakPolarHBondContact O-CB 3.36Å; I24-K27 PolarHBondContact O-N 2.92Å; G25-K27 VanDerWaalsContact C-N 3.28Å; G25-K27 PolarHBondContact O-N 3.47Å; K27-D62 VanDerWaalsContact CA-OD2 3.25Å; K27-D62 WeakPolarHBondContact CA-OD2 3.47Å; K27-D62 HydrophobicContact CD-CB 4.33Å; K27-D62 VanDerWaalsContact CD-CG 3.45Å; K27-D62 WeakPolarHBondContact CD-OD1 3.22Å; K27-D62 IonicContact NZ-OD1 3.75Å; K27-D62 PolarHBondContact NZ-OD1 3.37Å; K27-D145 VanDerWaalsContact CE-OD2 3.23Å; K27-D145 WeakPolarHBondContact CE-OD2 3.49Å; K27-D145 IonicContact NZ-OD2 3.96Å; K27-D145 PolarHBondContact NZ-OD2 2.83Å; K27-V168 HydrophobicContact CB-CG2 4.28Å; K27-V168 HydrophobicContact CG-CG1 3.94Å; K27-V168 HydrophobicContact CG-CG2 4.1Å
28N97.8Very high94.9Very high49 Ų4916.5 Ų16.526%0.26212%0.121SC..EExtended strand (participates in β ladder)trans-115.9116.4174.9-71.7-32.5000110.3L21 V22 S23 F60 L61 D62L21-N28 HydrophobicContact CD1-CB 4.43Å; V22-N28 WeakPolarHBondContact O-CA 3.28Å; S23-N28 WeakPolarHBondContact CB-OD1 3.32Å; S23-N28 PolarHBondContact OG-OD1 3.2Å; N28-F60 WeakPolarHBondContact CB-O 3.49Å; N28-F60 PolarHBondContact ND2-O 2.94Å; N28-L61 HydrophobicContact CB-CD2 4.32Å; N28-D62 PolarHBondContact N-OD2 2.9Å; N28-D62 PolarHBondContact O-N 2.81Å
29I98.5Very high94.2Very high0 Ų019.9 Ų19.90%013%0.134CC..EExtended strand (participates in β ladder)trans-123.3125.5-172.5-57.6163.8000108.3V22 I24 L31 I65 L148 I166V22-I29 PolarHBondContact N-O 3.17Å; V22-I29 PolarHBondContact O-N 3.43Å; I24-I29 HydrophobicContact CG2-CD1 3.99Å; I29-L31 HydrophobicContact CG2-CD2 3.92Å; I29-I65 HydrophobicContact CG2-CD1 3.79Å; I29-I65 HydrophobicContact CG2-CG1 4.16Å; I29-L148 HydrophobicContact CD1-CD1 3.6Å; I29-L148 HydrophobicContact CD1-CD2 3.99Å; I29-L148 HydrophobicContact CD1-CG 4.48Å; I29-L148 HydrophobicContact CG1-CD2 4.29Å; I29-I166 HydrophobicContact CD1-CG2 3.4Å; I29-I166 HydrophobicContact CG2-CD1 4.29Å
30M98.7Very high93.3Very high0 Ų025.3 Ų25.30%016%0.163CC..EExtended strand (participates in β ladder)trans-98129176.4-168.8174.568.400110.5I20 C33 F48 I51 L61 C63 V64 I65 M80I20-M30 WeakPolarHBondContact O-CA 3.46Å; M30-C33 HydrophobicContact CE-CB 4.29Å; M30-F48 HydrophobicContact SD-CE1 4.16Å; M30-I51 HydrophobicContact SD-CD1 4.2Å; M30-L61 HydrophobicContact CB-CD1 4.07Å; M30-L61 HydrophobicContact CB-CD2 4.16Å; M30-L61 HydrophobicContact CE-CD1 4.23Å; M30-L61 HydrophobicContact SD-CD1 4.12Å; M30-C63 PolarHBondContact N-O 2.99Å; M30-V64 HydrophobicContact CB-CG2 4.22Å; M30-V64 HydrophobicContact CE-CB 4.33Å; M30-V64 HydrophobicContact CE-CG1 3.77Å; M30-V64 HydrophobicContact CE-CG2 3.57Å; M30-V64 CarbonylContact O-C 3.59Å; M30-V64 WeakPolarHBondContact O-CA 3.37Å; M30-I65 PolarHBondContact O-N 3.31Å; M30-M80 HydrophobicContact CE-CE 3.56Å; M30-M80 HydrophobicContact CE-CG 3.95Å; M30-M80 HydrophobicContact CE-SD 3.76Å
31L98.8Very high92.6Very high0 Ų028.3 Ų28.30%018%0.179CC..EExtended strand (participates in β ladder)trans-111.2119.1-176-51.3172.3000109.7C19 I20 V22 I29 I65 I166 Y175 I201C19-L31 CarbonylContact C-O 3.56Å; C19-L31 WeakPolarHBondContact CA-O 3.46Å; I20-L31 HydrophobicContact CB-CB 4.22Å; I20-L31 HydrophobicContact CB-CD1 4.45Å; I20-L31 HydrophobicContact CG2-CD1 4.41Å; I20-L31 PolarHBondContact N-O 3.3Å; I20-L31 PolarHBondContact O-N 3.07Å; V22-L31 HydrophobicContact CG2-CD1 3.46Å; V22-L31 VanDerWaalsContact CG2-CD1 3.46Å; V22-L31 HydrophobicContact CG2-CG 4.2Å; I29-L31 HydrophobicContact CG2-CD2 3.92Å; L31-I65 HydrophobicContact CD2-CB 4.11Å; L31-I65 HydrophobicContact CD2-CD1 4.19Å; L31-I65 HydrophobicContact CD2-CG1 4.49Å; L31-I166 HydrophobicContact CD2-CD1 3.46Å; L31-I166 VanDerWaalsContact CD2-CD1 3.46Å; L31-Y175 HydrophobicContact CB-CD1 3.88Å; L31-Y175 HydrophobicContact CB-CD2 4.39Å; L31-Y175 HydrophobicContact CB-CE1 3.93Å; L31-Y175 HydrophobicContact CB-CE2 4.45Å; L31-Y175 HydrophobicContact CB-CG 4.11Å; L31-Y175 HydrophobicContact CD1-CD1 4.23Å; L31-Y175 HydrophobicContact CD1-CD2 3.89Å; L31-Y175 HydrophobicContact CD1-CG 3.67Å; L31-Y175 HydrophobicContact CD2-CD1 4.36Å; L31-Y175 HydrophobicContact CD2-CG 4.48Å; L31-Y175 HydrophobicContact CG-CD1 4.39Å; L31-Y175 HydrophobicContact CG-CG 4.31Å; L31-I201 HydrophobicContact CD1-CD1 4.15Å
32D98.7Very high92Very high0 Ų033 Ų330%020%0.204CC..  trans55.6162-169.9-72.2-36.1000114.3S18 I65 I66 S67 H73 Y175S18-D32 CarbonylContact O-C 3.58Å; S18-D32 WeakPolarHBondContact O-CB 3.18Å; D32-I65 PolarHBondContact N-O 3.39Å; D32-I66 VanDerWaalsContact OD1-CA 3.3Å; D32-I66 WeakPolarHBondContact OD1-CA 3.46Å; D32-S67 VanDerWaalsContact CG-OG 3.3Å; D32-S67 PolarHBondContact OD1-N 2.83Å; D32-S67 PolarHBondContact OD1-OG 3.21Å; D32-S67 VanDerWaalsContact OD1-OG 3.06Å; D32-S67 WeakPolarHBondContact OD2-CB 3.25Å; D32-S67 PolarHBondContact OD2-OG 3Å; D32-H73 HydrophobicContact CB-CB 4.27Å; D32-H73 WeakPolarHBondContact CB-O 3.38Å; D32-H73 IonicContact OD2-CE1 3.84Å; D32-H73 IonicContact OD2-CG 3.85Å; D32-H73 IonicContact OD2-ND1 2.69Å; D32-H73 PolarHBondContact OD2-ND1 2.94Å; D32-Y175 WeakPolarHBondContact OD2-CE1 3.39Å; D32-Y175 VanDerWaalsContact OD2-CZ 3.26Å; D32-Y175 PolarHBondContact OD2-OH 2.94Å
33C98.2Very high91.5Very high0 Ų039.6 Ų39.60%023%0.229CC..  trans-151.572.9174.4-175.10000108.8S18 M30 I66 H73 C74 G75 A76 L77 M80S18-C33 PolarHBondContact O-N 2.79Å; M30-C33 HydrophobicContact CE-CB 4.29Å; C33-I66 HydrophobicContact CB-CD1 4.4Å; C33-H73 CarbonylContact C-O 3.09Å; C33-H73 VanDerWaalsContact C-O 3.29Å; C33-H73 PolarHBondContact N-O 3.38Å; C33-C74 CarbonylContact O-C 3.56Å; C33-C74 VanDerWaalsContact O-CA 3.29Å; C33-C74 WeakPolarHBondContact O-CA 3.44Å; C33-G75 PolarHBondContact O-N 2.88Å; C33-A76 CarbonylContact O-C 3.5Å; C33-A76 PolarHBondContact O-N 2.86Å; C33-A76 VanDerWaalsContact SG-C 3.58Å; C33-L77 HydrophobicContact CB-CB 4.44Å; C33-L77 HydrophobicContact CB-CD1 4.09Å; C33-L77 PolarHBondContact O-N 3.2Å; C33-M80 VanDerWaalsContact SG-CB 3.53Å
34G96.7Very high91.2Very high0 Ų038.6 Ų38.60%022%0.221CC..  trans-85177-175.500000115.4S18 P46 L71 D72 H73 A76S18-G34 PolarHBondContact O-N 3.45Å; G34-P46 WeakPolarHBondContact O-CD 3.35Å; G34-L71 CarbonylContact C-O 3.01Å; G34-L71 WeakPolarHBondContact CA-O 3.24Å; G34-D72 VanDerWaalsContact CA-O 3.25Å; G34-D72 WeakPolarHBondContact CA-O 3.37Å; G34-H73 PolarHBondContact N-O 3.38Å; G34-A76 WeakPolarHBondContact O-CB 3.39Å
35M91.7Very high91Very high4 Ų439.1 Ų39.12%0.0222%0.223CC..  trans-131.9144.7171.6-153.2-177.372.800111.4M37 R44 F45 L71 A76 F107 F120M35-M37 HydrophobicContact CB-CE 3.82Å; M35-M37 HydrophobicContact CE-CE 3.56Å; M35-M37 HydrophobicContact CG-CE 4.47Å; M35-M37 WeakPolarHBondContact O-CE 3.27Å; M35-R44 CarbonylContact C-O 3.45Å; M35-R44 VanDerWaalsContact CA-O 3.29Å; M35-R44 WeakPolarHBondContact CA-O 3.45Å; M35-R44 HydrophobicContact CG-CB 3.9Å; M35-R44 HydrophobicContact CG-CG 3.76Å; M35-R44 WeakPolarHBondContact CG-O 3.43Å; M35-R44 HydrophobicContact SD-CB 4.47Å; M35-R44 HydrophobicContact SD-CG 3.87Å; M35-F45 HydrophobicContact CG-CD1 4.1Å; M35-F45 HydrophobicContact CG-CE1 4.16Å; M35-F45 HydrophobicContact SD-CD1 4.19Å; M35-F45 HydrophobicContact SD-CE1 3.63Å; M35-F45 HydrophobicContact SD-CZ 4.19Å; M35-L71 PolarHBondContact N-O 3.01Å; M35-A76 HydrophobicContact CB-CB 4.35Å; M35-F107 HydrophobicContact CE-CD1 4.26Å; M35-F107 HydrophobicContact CE-CE1 3.09Å; M35-F107 HydrophobicContact CE-CE2 4.26Å; M35-F107 HydrophobicContact CE-CZ 3.12Å; M35-F107 HydrophobicContact SD-CE1 4.07Å; M35-F120 HydrophobicContact SD-CE2 4.21Å; M35-F120 HydrophobicContact SD-CZ 4.46Å
36H89.4Confident91.2Very high11 Ų1138 Ų385%0.05121%0.21CC..  trans-88118.5-178.5-173.7-79.9000110.9D14 V15 R17 G38 Y39 R44D14-H36 IonicContact OD1-NE2 2.74Å; V15-H36 PolarHBondContact O-CD2 2.67Å; V15-H36 PolarHBondContact O-NE2 2.84Å; R17-H36 HydrophobicContact CB-CB 3.98Å; R17-H36 HydrophobicContact CG-CB 3.97Å; H36-G38 VanDerWaalsContact C-N 3.27Å; H36-G38 WeakPolarHBondContact ND1-CA 3.49Å; H36-G38 PolarHBondContact ND1-N 3.31Å; H36-G38 PolarHBondContact O-N 2.78Å; H36-Y39 HydrophobicContact CB-CD2 3.91Å; H36-Y39 AromaticContact CE1-CD2 3.62Å; H36-Y39 AromaticContact CE1-CE2 3.5Å; H36-Y39 VanDerWaalsContact CE1-CE2 3.5Å; H36-Y39 WeakPolarHBondContact CE1-CE2 3.48Å; H36-Y39 AromaticContact CG-CD2 3.52Å; H36-Y39 AromaticContact CG-CE2 3.79Å; H36-Y39 AromaticContact ND1-CD2 3.09Å; H36-Y39 WeakPolarHBondContact ND1-CD2 3.32Å; H36-Y39 AromaticContact ND1-CE2 3.45Å; H36-Y39 WeakPolarHBondContact ND1-CE2 3.46Å; H36-Y39 AromaticContact ND1-CG 3.76Å; H36-Y39 PolarHBondContact ND1-N 3.15Å; H36-Y39 AromaticContact NE2-CE2 3.86Å; H36-Y39 PolarHBondContact O-N 2.96Å; H36-R44 PolarHBondContact N-O 2.99Å
37M79Confident91.3Very high51 Ų5137.4 Ų37.425%0.25119%0.188SC..THydrogen-bonded Turntrans-74.6-13.4-172.8-61.8-62.2108.900114.5M35 L71 F107 M327M35-M37 HydrophobicContact CB-CE 3.82Å; M35-M37 HydrophobicContact CE-CE 3.56Å; M35-M37 HydrophobicContact CG-CE 4.47Å; M35-M37 WeakPolarHBondContact O-CE 3.27Å; M37-L71 HydrophobicContact CE-CB 3.71Å; M37-L71 HydrophobicContact CE-CD1 4.37Å; M37-L71 HydrophobicContact SD-CB 4.17Å; M37-L71 HydrophobicContact SD-CD1 4.01Å; M37-F107 HydrophobicContact SD-CE2 4.14Å; M37-M327 HydrophobicContact CB-CE 4.15Å; M37-M327 HydrophobicContact CG-CE 4.4Å
38G76.8Confident91.3Very high32 Ų3236.3 Ų36.333%0.3318%0.183SC..THydrogen-bonded Turntrans-88.1-12.1179.500000115.1H36H36-G38 VanDerWaalsContact C-N 3.27Å; H36-G38 WeakPolarHBondContact ND1-CA 3.49Å; H36-G38 PolarHBondContact ND1-N 3.31Å; H36-G38 PolarHBondContact O-N 2.78Å
39Y82.4Confident91.1Very high72 Ų7236.5 Ų36.528%0.28219%0.189SC..  trans-107.4143-179.8-63.6-57.5000110.5H36 R43H36-Y39 HydrophobicContact CB-CD2 3.91Å; H36-Y39 AromaticContact CE1-CD2 3.62Å; H36-Y39 AromaticContact CE1-CE2 3.5Å; H36-Y39 VanDerWaalsContact CE1-CE2 3.5Å; H36-Y39 WeakPolarHBondContact CE1-CE2 3.48Å; H36-Y39 AromaticContact CG-CD2 3.52Å; H36-Y39 AromaticContact CG-CE2 3.79Å; H36-Y39 AromaticContact ND1-CD2 3.09Å; H36-Y39 WeakPolarHBondContact ND1-CD2 3.32Å; H36-Y39 AromaticContact ND1-CE2 3.45Å; H36-Y39 WeakPolarHBondContact ND1-CE2 3.46Å; H36-Y39 AromaticContact ND1-CG 3.76Å; H36-Y39 PolarHBondContact ND1-N 3.15Å; H36-Y39 AromaticContact NE2-CE2 3.86Å; H36-Y39 PolarHBondContact O-N 2.96Å; Y39-R43 HydrophobicContact CD1-CB 4.43Å; Y39-R43 HydrophobicContact CD2-CB 3.92Å; Y39-R43 HydrophobicContact CE2-CB 4.37Å; Y39-R43 HydrophobicContact CG-CB 3.99Å
40N79Confident90.9Very high114 Ų11442 Ų4261%0.6121%0.21SC*.SBendtrans-109.91.3173.5-60.7-61.9000112.3K115N40-K115 PolarHBondContact OD1-NZ 3.3Å; N40-K115 VanDerWaalsContact OD1-NZ 3.1Å
41D85.4Confident90.7Very high64 Ų6443.2 Ų43.234%0.34222%0.216SC..SBendtrans-109.5-172.3176.758.933.2000110.6R43 R44D41-R43 PolarHBondContact O-N 2.64Å; D41-R43 VanDerWaalsContact O-N 3.09Å; D41-R43 WeakPolarHBondContact OD1-CB 3.43Å; D41-R43 WeakPolarHBondContact OD1-CG 3.39Å; D41-R43 IonicContact OD1-CZ 2.91Å; D41-R43 PolarHBondContact OD1-N 3.23Å; D41-R43 IonicContact OD1-NE 3.24Å; D41-R43 PolarHBondContact OD1-NE 2.86Å; D41-R43 IonicContact OD1-NH2 3.78Å; D41-R43 IonicContact OD2-CZ 3.36Å; D41-R43 VanDerWaalsContact OD2-CZ 3.26Å; D41-R43 IonicContact OD2-NE 2.96Å; D41-R43 PolarHBondContact OD2-NE 3.44Å; D41-R43 IonicContact OD2-NH2 2.9Å; D41-R43 PolarHBondContact OD2-NH2 3.12Å; D41-R44 WeakPolarHBondContact O-CB 3.39Å; D41-R44 WeakPolarHBondContact O-CD 3.35Å; D41-R44 WeakPolarHBondContact O-CG 3.38Å; D41-R44 PolarHBondContact O-N 2.89Å; D41-R44 VanDerWaalsContact O-N 3.1Å; D41-R44 PolarHBondContact O-NE 2.77Å
42D85.6Confident90.4Very high114 Ų11444.5 Ų44.561%0.6122%0.224SC*.G310 helixtrans-62.5-18.1-175.3-63.3-27.3000113.8R44 F45D42-R44 PolarHBondContact O-N 2.96Å; D42-F45 PolarHBondContact O-N 3.36Å
43R88.9Confident89.8Confident137 Ų13752.4 Ų52.452%0.51726%0.261SS..G310 helixtrans-62.6-14174.7-60.1177.3-71.2177.3-7.3113R17 Y39 D41 F45R17-R43 WeakPolarHBondContact CD-O 3.14Å; R17-R43 PolarHBondContact NH1-O 2.81Å; Y39-R43 HydrophobicContact CD1-CB 4.43Å; Y39-R43 HydrophobicContact CD2-CB 3.92Å; Y39-R43 HydrophobicContact CE2-CB 4.37Å; Y39-R43 HydrophobicContact CG-CB 3.99Å; D41-R43 PolarHBondContact O-N 2.64Å; D41-R43 VanDerWaalsContact O-N 3.09Å; D41-R43 WeakPolarHBondContact OD1-CB 3.43Å; D41-R43 WeakPolarHBondContact OD1-CG 3.39Å; D41-R43 IonicContact OD1-CZ 2.91Å; D41-R43 PolarHBondContact OD1-N 3.23Å; D41-R43 IonicContact OD1-NE 3.24Å; D41-R43 PolarHBondContact OD1-NE 2.86Å; D41-R43 IonicContact OD1-NH2 3.78Å; D41-R43 IonicContact OD2-CZ 3.36Å; D41-R43 VanDerWaalsContact OD2-CZ 3.26Å; D41-R43 IonicContact OD2-NE 2.96Å; D41-R43 PolarHBondContact OD2-NE 3.44Å; D41-R43 IonicContact OD2-NH2 2.9Å; D41-R43 PolarHBondContact OD2-NH2 3.12Å; R43-F45 PolarHBondContact O-N 2.87Å
44R90Very high89.2Confident12 Ų1258.8 Ų58.85%0.04530%0.295CS..G310 helixtrans-67.5-24.417476.2-168.1143.9158.12.5113.2M35 H36 D41 D42 E117M35-R44 CarbonylContact C-O 3.45Å; M35-R44 VanDerWaalsContact CA-O 3.29Å; M35-R44 WeakPolarHBondContact CA-O 3.45Å; M35-R44 HydrophobicContact CG-CB 3.9Å; M35-R44 HydrophobicContact CG-CG 3.76Å; M35-R44 WeakPolarHBondContact CG-O 3.43Å; M35-R44 HydrophobicContact SD-CB 4.47Å; M35-R44 HydrophobicContact SD-CG 3.87Å; H36-R44 PolarHBondContact N-O 2.99Å; D41-R44 WeakPolarHBondContact O-CB 3.39Å; D41-R44 WeakPolarHBondContact O-CD 3.35Å; D41-R44 WeakPolarHBondContact O-CG 3.38Å; D41-R44 PolarHBondContact O-N 2.89Å; D41-R44 VanDerWaalsContact O-N 3.1Å; D41-R44 PolarHBondContact O-NE 2.77Å; D42-R44 PolarHBondContact O-N 2.96Å; R44-E117 IonicContact CZ-OE1 2.96Å; R44-E117 IonicContact CZ-OE2 3.02Å; R44-E117 IonicContact NH1-OE1 2.84Å; R44-E117 PolarHBondContact NH1-OE1 3.36Å; R44-E117 IonicContact NH1-OE2 4Å; R44-E117 PolarHBondContact NH1-OE2 3.34Å; R44-E117 IonicContact NH2-OE1 3.53Å; R44-E117 PolarHBondContact NH2-OE1 3.3Å; R44-E117 IonicContact NH2-OE2 3.7Å
45F94.4Very high88.7Confident12 Ų1261.7 Ų61.75%0.05333%0.325CS..SBendtrans-90.3155.5179.3-58.6-68.5000111M35 D42 R43 A76 Y79 F120M35-F45 HydrophobicContact CG-CD1 4.1Å; M35-F45 HydrophobicContact CG-CE1 4.16Å; M35-F45 HydrophobicContact SD-CD1 4.19Å; M35-F45 HydrophobicContact SD-CE1 3.63Å; M35-F45 HydrophobicContact SD-CZ 4.19Å; D42-F45 PolarHBondContact O-N 3.36Å; R43-F45 PolarHBondContact O-N 2.87Å; F45-A76 HydrophobicContact CD1-CB 3.88Å; F45-A76 HydrophobicContact CE1-CB 4.48Å; F45-Y79 HydrophobicContact CB-CE1 4.26Å; F45-Y79 AromaticContact CD1-CD1 3.69Å; F45-Y79 HydrophobicContact CD1-CD1 3.69Å; F45-Y79 HydrophobicContact CD1-CD2 4.46Å; F45-Y79 HydrophobicContact CD1-CE1 4.05Å; F45-Y79 AromaticContact CD1-CG 3.93Å; F45-Y79 HydrophobicContact CD1-CG 3.93Å; F45-Y79 HydrophobicContact CD2-CE1 4.31Å; F45-Y79 AromaticContact CE1-CD1 3.99Å; F45-Y79 HydrophobicContact CE1-CD1 3.99Å; F45-Y79 AromaticContact CE1-CD2 3.99Å; F45-Y79 HydrophobicContact CE1-CD2 3.99Å; F45-Y79 AromaticContact CE1-CG 3.71Å; F45-Y79 HydrophobicContact CE1-CG 3.71Å; F45-Y79 HydrophobicContact CE2-CD2 4.44Å; F45-Y79 HydrophobicContact CE2-CE2 4.24Å; F45-Y79 HydrophobicContact CG-CD1 4.08Å; F45-Y79 AromaticContact CG-CE1 3.95Å; F45-Y79 HydrophobicContact CG-CE1 3.95Å; F45-Y79 AromaticContact CZ-CD2 3.98Å; F45-Y79 HydrophobicContact CZ-CD2 3.98Å; F45-Y79 HydrophobicContact CZ-CE2 4.24Å; F45-Y79 HydrophobicContact CZ-CG 4.19Å; F45-F120 HydrophobicContact CZ-CE2 4.42Å
46P96.1Very high88.8Confident6 Ų667.4 Ų67.44%0.03935%0.346CS..  trans-60.9151.3163.5-20.834.4000111.1L9 C19 G34 F48L9-P46 HydrophobicContact CB-CB 4.15Å; C19-P46 HydrophobicContact CB-CB 3.5Å; C19-P46 HydrophobicContact CB-CG 3.46Å; C19-P46 VanDerWaalsContact CB-CG 3.46Å; G34-P46 WeakPolarHBondContact O-CD 3.35Å; P46-F48 HydrophobicContact CB-CE1 4.06Å; P46-F48 HydrophobicContact CB-CE2 4.37Å; P46-F48 HydrophobicContact CB-CZ 3.89Å; P46-F48 HydrophobicContact CG-CE1 4.44Å; P46-F48 HydrophobicContact CG-CZ 3.97Å; P46-F48 WeakPolarHBondContact O-CD2 3.48Å; P46-F48 WeakPolarHBondContact O-CE2 3.43Å; P46-F48 PolarHBondContact O-N 3.4Å
47D95Very high89.1Confident67 Ų6767 Ų6736%0.35834%0.344SS..  trans-87.797.5177.2-168.9-14.6000110.6L9 S49 Y50L9-D47 PolarHBondContact O-N 3.49Å; L9-D47 VanDerWaalsContact O-N 3.13Å; D47-S49 PolarHBondContact O-N 2.89Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.32Å; D47-S49 PolarHBondContact OD1-OG 2.98Å; D47-Y50 HydrophobicContact CB-CD2 3.83Å; D47-Y50 HydrophobicContact CB-CE2 3.77Å; D47-Y50 WeakPolarHBondContact O-CD2 3.19Å; D47-Y50 WeakPolarHBondContact OD2-CE2 3.13Å
48F95.9Very high89.9Confident17 Ų1766.7 Ų66.78%0.07535%0.346CS..G310 helixtrans-75.8-8.3-179.7-57.1-69.5000113.4M30 P46 Y50 I51 T52 L57 Y79 M80 V84M30-F48 HydrophobicContact SD-CE1 4.16Å; P46-F48 HydrophobicContact CB-CE1 4.06Å; P46-F48 HydrophobicContact CB-CE2 4.37Å; P46-F48 HydrophobicContact CB-CZ 3.89Å; P46-F48 HydrophobicContact CG-CE1 4.44Å; P46-F48 HydrophobicContact CG-CZ 3.97Å; P46-F48 WeakPolarHBondContact O-CD2 3.48Å; P46-F48 WeakPolarHBondContact O-CE2 3.43Å; P46-F48 PolarHBondContact O-N 3.4Å; F48-Y50 PolarHBondContact O-N 2.95Å; F48-I51 HydrophobicContact CD1-CD1 4.28Å; F48-I51 PolarHBondContact O-N 2.8Å; F48-T52 PolarHBondContact O-N 3.15Å; F48-L57 HydrophobicContact CB-CD2 4.45Å; F48-L57 HydrophobicContact CD1-CD1 4.2Å; F48-L57 HydrophobicContact CG-CD1 4.49Å; F48-Y79 HydrophobicContact CD2-CE1 4.35Å; F48-Y79 HydrophobicContact CE2-CD1 4.03Å; F48-Y79 AromaticContact CE2-CE1 3.89Å; F48-Y79 HydrophobicContact CE2-CE1 3.89Å; F48-M80 HydrophobicContact CD1-CG 4.24Å; F48-M80 HydrophobicContact CE1-CB 4.14Å; F48-M80 HydrophobicContact CE1-CG 3.52Å; F48-M80 HydrophobicContact CE2-CB 4.28Å; F48-M80 HydrophobicContact CE2-CG 4.39Å; F48-M80 HydrophobicContact CZ-CB 3.68Å; F48-M80 HydrophobicContact CZ-CG 3.62Å; F48-V84 HydrophobicContact CB-CG1 4.49Å; F48-V84 HydrophobicContact CD2-CG1 4.49Å; F48-V84 HydrophobicContact CD2-CG2 3.98Å; F48-V84 HydrophobicContact CE2-CG2 4.2Å
49S94Very high90.8Very high54 Ų5470.9 Ų70.938%0.37836%0.36SS..G310 helixtrans-65.7-21.3179.773.20000113.2D47 I51D47-S49 PolarHBondContact O-N 2.89Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.32Å; D47-S49 PolarHBondContact OD1-OG 2.98Å; S49-I51 VanDerWaalsContact C-N 3.29Å
50Y93.8Very high91.4Very high116 Ų11671.3 Ų71.346%0.45536%0.364SS..G310 helixtrans-71.9-18.2171.9-65.8-71.4000113.7L9 D47 F48L9-Y50 HydrophobicContact CD2-CD2 4.14Å; L9-Y50 HydrophobicContact CD2-CG 4.22Å; D47-Y50 HydrophobicContact CB-CD2 3.83Å; D47-Y50 HydrophobicContact CB-CE2 3.77Å; D47-Y50 WeakPolarHBondContact O-CD2 3.19Å; D47-Y50 WeakPolarHBondContact OD2-CE2 3.13Å; F48-Y50 PolarHBondContact O-N 2.95Å
51I94.6Very high92.3Very high24 Ų2466.3 Ų66.312%0.12334%0.337CS..THydrogen-bonded Turntrans-85.4-56.7171.4-61.1169.4000109L9 L21 M30 F48 S49 L57 F60 L61L9-I51 HydrophobicContact CD1-CD1 3.57Å; L9-I51 HydrophobicContact CD1-CG1 3.76Å; L21-I51 HydrophobicContact CD1-CG1 4.41Å; L21-I51 HydrophobicContact CD2-CG1 4.06Å; M30-I51 HydrophobicContact SD-CD1 4.2Å; F48-I51 HydrophobicContact CD1-CD1 4.28Å; F48-I51 PolarHBondContact O-N 2.8Å; S49-I51 VanDerWaalsContact C-N 3.29Å; I51-L57 HydrophobicContact CB-CD2 4.12Å; I51-L57 HydrophobicContact CD1-CD2 4.01Å; I51-L57 HydrophobicContact CG2-CD2 3.97Å; I51-F60 HydrophobicContact CG2-CB 3.68Å; I51-F60 HydrophobicContact CG2-CG 4.28Å; I51-L61 HydrophobicContact CD1-CD1 4.28Å; I51-L61 HydrophobicContact CD1-CD2 4.26Å
52T92Very high92.9Very high27 Ų2765.9 Ų65.917%0.16634%0.335CS..  trans-155.1145.5178.6-174.80000111.2F48 N54 L57 F60F48-T52 PolarHBondContact O-N 3.15Å; T52-N54 PolarHBondContact OG1-N 3.28Å; T52-N54 VanDerWaalsContact OG1-N 3.13Å; T52-N54 PolarHBondContact OG1-O 3.16Å; T52-L57 HydrophobicContact CG2-CD2 4.09Å; T52-F60 HydrophobicContact CG2-CD2 3.81Å; T52-F60 HydrophobicContact CG2-CE2 3.81Å; T52-F60 WeakPolarHBondContact OG1-CE2 3.4Å
53Q87.4Confident93.5Very high166 Ų16660.4 Ų60.478%0.77631%0.305SS*.SBendtrans-92.9-19170.8-64.4-178.9-13.100112.2
54N84.8Confident94Very high135 Ų13553.9 Ų53.972%0.72228%0.281SS*.SBendtrans-141.6132.5-175.6-64.6-51.9000110.6T52T52-N54 PolarHBondContact OG1-N 3.28Å; T52-N54 VanDerWaalsContact OG1-N 3.13Å; T52-N54 PolarHBondContact OG1-O 3.16Å
55G86.1Confident94.4Very high60 Ų6053.4 Ų53.462%0.61928%0.279SS*.SBendtrans102.1-177.917900000113.6
56R93.4Very high94.6Very high125 Ų12552.9 Ų52.947%0.47228%0.277SS..  trans-89.9148.5-179.2-61.9175.377.4116.73.4109.3T58 D59 F60 D87R56-T58 PolarHBondContact O-N 2.98Å; R56-D59 PolarHBondContact O-N 3.06Å; R56-F60 WeakPolarHBondContact O-CD2 3.3Å; R56-D87 IonicContact CZ-OD2 2.8Å; R56-D87 VanDerWaalsContact CZ-OD2 3.28Å; R56-D87 IonicContact NE-OD2 3.9Å; R56-D87 PolarHBondContact NE-OD2 3.35Å; R56-D87 IonicContact NH2-OD1 3.62Å; R56-D87 IonicContact NH2-OD2 2.89Å; R56-D87 PolarHBondContact NH2-OD2 3.35Å
57L96.3Very high94.7Very high2 Ų252.7 Ų52.71%0.0128%0.275CS..G310 helixtrans-62.9-24.9176.4-63.2176000112.4F48 I51 T52 D59 F60 L61 M80 V84 G85 Y86F48-L57 HydrophobicContact CB-CD2 4.45Å; F48-L57 HydrophobicContact CD1-CD1 4.2Å; F48-L57 HydrophobicContact CG-CD1 4.49Å; I51-L57 HydrophobicContact CB-CD2 4.12Å; I51-L57 HydrophobicContact CD1-CD2 4.01Å; I51-L57 HydrophobicContact CG2-CD2 3.97Å; T52-L57 HydrophobicContact CG2-CD2 4.09Å; L57-D59 PolarHBondContact O-N 3.46Å; L57-D59 VanDerWaalsContact O-N 3.17Å; L57-F60 PolarHBondContact O-N 2.88Å; L57-L61 HydrophobicContact CB-CD1 4.17Å; L57-L61 PolarHBondContact O-N 2.87Å; L57-L61 VanDerWaalsContact O-N 3.11Å; L57-M80 HydrophobicContact CD1-CG 3.61Å; L57-M80 HydrophobicContact CD1-SD 3.61Å; L57-V84 HydrophobicContact CD1-CB 4.19Å; L57-V84 HydrophobicContact CD1-CG1 3.67Å; L57-V84 HydrophobicContact CD2-CG1 4.47Å; L57-V84 HydrophobicContact CG-CG1 3.92Å; L57-G85 WeakPolarHBondContact CB-O 3.35Å; L57-G85 PolarHBondContact N-O 3.42Å; L57-Y86 HydrophobicContact CB-CD2 4.11Å
58T95.9Very high94.8Very high45 Ų4549.5 Ų49.528%0.27626%0.258SS..G310 helixtrans-54.1-33.1176.6-470000112.5R56 F60 Y86 D87R56-T58 PolarHBondContact O-N 2.98Å; T58-F60 PolarHBondContact O-N 2.88Å; T58-Y86 WeakPolarHBondContact OG1-CA 3.25Å; T58-D87 HydrophobicContact CG2-CB 4.47Å; T58-D87 PolarHBondContact OG1-N 2.96Å
59D95.2Very high94.8Very high120 Ų12048.7 Ų48.764%0.64226%0.255SS*.G310 helixtrans-78.6-12-175.4-54.9-37.5000112.4R56 L57R56-D59 PolarHBondContact O-N 3.06Å; L57-D59 PolarHBondContact O-N 3.46Å; L57-D59 VanDerWaalsContact O-N 3.17Å
60F96.6Very high94.8Very high81 Ų8147.6 Ų47.636%0.35524%0.244SC..THydrogen-bonded Turntrans-120.5-12-173.2-62.3-87.2000113.9N28 I51 T52 R56 L57 T58N28-F60 WeakPolarHBondContact CB-O 3.49Å; N28-F60 PolarHBondContact ND2-O 2.94Å; I51-F60 HydrophobicContact CG2-CB 3.68Å; I51-F60 HydrophobicContact CG2-CG 4.28Å; T52-F60 HydrophobicContact CG2-CD2 3.81Å; T52-F60 HydrophobicContact CG2-CE2 3.81Å; T52-F60 WeakPolarHBondContact OG1-CE2 3.4Å; R56-F60 WeakPolarHBondContact O-CD2 3.3Å; L57-F60 PolarHBondContact O-N 2.88Å; T58-F60 PolarHBondContact O-N 2.88Å
61L97.5Very high94.7Very high9 Ų943.7 Ų43.75%0.04723%0.23CC..  trans-122124.6-176.1-64.2-179.9000111L21 N28 M30 I51 L57 V64 Y86L21-L61 HydrophobicContact CD1-CD2 3.57Å; N28-L61 HydrophobicContact CB-CD2 4.32Å; M30-L61 HydrophobicContact CB-CD1 4.07Å; M30-L61 HydrophobicContact CB-CD2 4.16Å; M30-L61 HydrophobicContact CE-CD1 4.23Å; M30-L61 HydrophobicContact SD-CD1 4.12Å; I51-L61 HydrophobicContact CD1-CD1 4.28Å; I51-L61 HydrophobicContact CD1-CD2 4.26Å; L57-L61 HydrophobicContact CB-CD1 4.17Å; L57-L61 PolarHBondContact O-N 2.87Å; L57-L61 VanDerWaalsContact O-N 3.11Å; L61-V64 HydrophobicContact CD1-CG2 4.37Å; L61-Y86 HydrophobicContact CB-CD2 4.41Å; L61-Y86 HydrophobicContact CB-CE2 3.79Å; L61-Y86 HydrophobicContact CD1-CD2 4.28Å; L61-Y86 HydrophobicContact CD1-CE2 4.26Å
62D97.5Very high94.6Very high54 Ų5444.1 Ų44.129%0.28923%0.233SC..SBendtrans-72-44.3174.1-64.9-92.6000111.2K27 N28 P89K27-D62 VanDerWaalsContact CA-OD2 3.25Å; K27-D62 WeakPolarHBondContact CA-OD2 3.47Å; K27-D62 HydrophobicContact CD-CB 4.33Å; K27-D62 VanDerWaalsContact CD-CG 3.45Å; K27-D62 WeakPolarHBondContact CD-OD1 3.22Å; K27-D62 IonicContact NZ-OD1 3.75Å; K27-D62 PolarHBondContact NZ-OD1 3.37Å; N28-D62 PolarHBondContact N-OD2 2.9Å; N28-D62 PolarHBondContact O-N 2.81Å; D62-P89 WeakPolarHBondContact O-CD 3.39Å; D62-P89 WeakPolarHBondContact O-CG 3.48Å
63C97.9Very high94.9Very high0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-155.5164.4174.667.70000113.7M30 Y86 P89 Y91M30-C63 PolarHBondContact N-O 2.99Å; C63-Y86 WeakPolarHBondContact CA-OH 3.42Å; C63-P89 HydrophobicContact CB-CG 3.9Å; C63-Y91 HydrophobicContact CB-CD2 3.88Å; C63-Y91 HydrophobicContact CB-CE2 3.64Å
64V98.7Very high95.3Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-116136171.4179.80000109.3M30 L61 I66 L77 M80 Y86 P89 I90 Y91M30-V64 HydrophobicContact CB-CG2 4.22Å; M30-V64 HydrophobicContact CE-CB 4.33Å; M30-V64 HydrophobicContact CE-CG1 3.77Å; M30-V64 HydrophobicContact CE-CG2 3.57Å; M30-V64 CarbonylContact O-C 3.59Å; M30-V64 WeakPolarHBondContact O-CA 3.37Å; L61-V64 HydrophobicContact CD1-CG2 4.37Å; V64-I66 HydrophobicContact CG1-CD1 3.92Å; V64-L77 HydrophobicContact CG1-CD1 4.33Å; V64-M80 HydrophobicContact CG1-CE 4.46Å; V64-M80 HydrophobicContact CG2-CE 4.14Å; V64-Y86 HydrophobicContact CB-CE1 4.28Å; V64-Y86 HydrophobicContact CG2-CD1 4.08Å; V64-Y86 HydrophobicContact CG2-CE1 3.48Å; V64-Y86 VanDerWaalsContact CG2-CE1 3.48Å; V64-Y86 HydrophobicContact CG2-CE2 4.3Å; V64-P89 PolarHBondContact N-O 2.87Å; V64-I90 HydrophobicContact CB-CG1 4.26Å; V64-I90 HydrophobicContact CB-CG2 4.46Å; V64-I90 HydrophobicContact CG1-CG2 4.42Å; V64-I90 CarbonylContact O-C 3.52Å; V64-I90 WeakPolarHBondContact O-CA 3.37Å; V64-Y91 PolarHBondContact O-N 3.29Å
65I98.8Very high95.9Very high1 Ų128.5 Ų28.51%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-124124.2-179.2-54.8178.6000109.5I29 M30 L31 D32 Y91 I150 V164 I166I29-I65 HydrophobicContact CG2-CD1 3.79Å; I29-I65 HydrophobicContact CG2-CG1 4.16Å; M30-I65 PolarHBondContact O-N 3.31Å; L31-I65 HydrophobicContact CD2-CB 4.11Å; L31-I65 HydrophobicContact CD2-CD1 4.19Å; L31-I65 HydrophobicContact CD2-CG1 4.49Å; D32-I65 PolarHBondContact N-O 3.39Å; I65-Y91 CarbonylContact C-O 3.46Å; I65-Y91 WeakPolarHBondContact CA-O 3.26Å; I65-I150 HydrophobicContact CD1-CG2 3.98Å; I65-V164 HydrophobicContact CD1-CG1 4.22Å; I65-V164 HydrophobicContact CG2-CB 4.2Å; I65-V164 HydrophobicContact CG2-CG1 4.17Å; I65-V164 HydrophobicContact CG2-CG2 3.75Å; I65-I166 HydrophobicContact CD1-CD1 3.81Å; I65-I166 HydrophobicContact CD1-CG1 4Å
66I98.8Very high96.4Very high2 Ų225.7 Ų25.71%0.0113%0.125CC..  trans-106.8121.1177.9-50.3-57.2000110.2D32 C33 V64 H68 C74 L77 I90 Y91 M92 T96D32-I66 VanDerWaalsContact OD1-CA 3.3Å; D32-I66 WeakPolarHBondContact OD1-CA 3.46Å; C33-I66 HydrophobicContact CB-CD1 4.4Å; V64-I66 HydrophobicContact CG1-CD1 3.92Å; I66-H68 WeakPolarHBondContact CG2-O 3.3Å; I66-C74 HydrophobicContact CG2-CB 3.9Å; I66-L77 HydrophobicContact CD1-CD1 3.98Å; I66-L77 HydrophobicContact CD1-CD2 4.38Å; I66-L77 HydrophobicContact CG1-CD1 4.42Å; I66-L77 HydrophobicContact CG1-CD2 4.09Å; I66-I90 HydrophobicContact CG1-CG2 4.07Å; I66-Y91 PolarHBondContact N-O 3.06Å; I66-M92 HydrophobicContact CB-CB 3.99Å; I66-M92 HydrophobicContact CB-CE 4.16Å; I66-M92 HydrophobicContact CG1-CE 3.86Å; I66-T96 HydrophobicContact CG2-CG2 4.32Å
67S98.4Very high96.6Very high1 Ų119.7 Ų19.71%0.00710%0.102CC..  trans-68.7-46.9-178.464.40000112D32 H73 A162D32-S67 VanDerWaalsContact CG-OG 3.3Å; D32-S67 PolarHBondContact OD1-N 2.83Å; D32-S67 PolarHBondContact OD1-OG 3.21Å; D32-S67 VanDerWaalsContact OD1-OG 3.06Å; D32-S67 WeakPolarHBondContact OD2-CB 3.25Å; D32-S67 PolarHBondContact OD2-OG 3Å; S67-H73 PolarHBondContact OG-ND1 2.81Å; S67-A162 PolarHBondContact O-N 3.12Å
68H97.8Very high96.6Very high0 Ų019.6 Ų19.60%010%0.102CC..  trans-161.8177.1-178.270.9-76.5000113I66 H70 H73 H157 V158 A161 D178I66-H68 WeakPolarHBondContact CG2-O 3.3Å; H68-H70 AromaticContact CD2-CG 3.57Å; H68-H70 AromaticContact CD2-ND1 3.35Å; H68-H70 PolarHBondContact CD2-ND1 3.02Å; H68-H70 VanDerWaalsContact CD2-ND1 3.35Å; H68-H70 WeakPolarHBondContact NE2-CB 3.45Å; H68-H70 AromaticContact NE2-CG 3.51Å; H68-H70 AromaticContact NE2-ND1 3.06Å; H68-H70 PolarHBondContact NE2-ND1 2.75Å; H68-H73 AromaticContact CE1-CD2 3.1Å; H68-H73 PolarHBondContact CE1-CD2 3.37Å; H68-H73 AromaticContact CE1-CE1 3.69Å; H68-H73 AromaticContact CE1-CG 3.24Å; H68-H73 AromaticContact CE1-ND1 3.6Å; H68-H73 AromaticContact CE1-NE2 3.43Å; H68-H73 PolarHBondContact CE1-NE2 3.24Å; H68-H73 AromaticContact ND1-CG 3.71Å; H68-H73 AromaticContact ND1-ND1 3.93Å; H68-H73 AromaticContact NE2-CD2 3.55Å; H68-H73 AromaticContact NE2-CG 3.94Å; H68-H157 AromaticContact CD2-CD2 3.79Å; H68-H157 AromaticContact NE2-CD2 3.69Å; H68-H157 AromaticContact NE2-NE2 3.65Å; H68-V158 HydrophobicContact CB-CG2 3.94Å; H68-A161 HydrophobicContact CB-CB 3.75Å; H68-D178 IonicContact CE1-OD2 3.35Å; H68-D178 PolarHBondContact CE1-OD2 3.49Å; H68-D178 IonicContact NE2-OD2 3.78Å
69F95.4Very high96.6Very high1 Ų120 Ų200%0.00410%0.098CC..SBendtrans-89.53.2-165.859.2-116000115.9C74 T96 I99 L103 V158 L159 L242F69-C74 VanDerWaalsContact C-SG 3.58Å; F69-C74 PolarHBondContact O-SG 2.84Å; F69-T96 HydrophobicContact CB-CG2 4.13Å; F69-I99 HydrophobicContact CB-CB 4.37Å; F69-I99 HydrophobicContact CB-CG2 4.09Å; F69-I99 HydrophobicContact CD1-CB 3.88Å; F69-I99 HydrophobicContact CD1-CD1 3.82Å; F69-I99 HydrophobicContact CD1-CG1 4.47Å; F69-I99 HydrophobicContact CD1-CG2 3.7Å; F69-I99 HydrophobicContact CD2-CG2 3.9Å; F69-I99 HydrophobicContact CE1-CB 4.36Å; F69-I99 HydrophobicContact CE1-CD1 3.54Å; F69-I99 HydrophobicContact CE1-CG2 4.01Å; F69-I99 HydrophobicContact CE2-CG2 4.23Å; F69-I99 HydrophobicContact CG-CB 4.14Å; F69-I99 HydrophobicContact CG-CG2 3.62Å; F69-I99 HydrophobicContact CZ-CD1 4.35Å; F69-I99 HydrophobicContact CZ-CG2 4.27Å; F69-L103 HydrophobicContact CB-CD1 4.08Å; F69-L103 HydrophobicContact CD2-CD1 3.25Å; F69-L103 HydrophobicContact CE2-CD1 3.97Å; F69-L103 HydrophobicContact CG-CD1 3.96Å; F69-L103 WeakPolarHBondContact O-CD1 3.29Å; F69-V158 HydrophobicContact CD1-CG2 4.23Å; F69-V158 HydrophobicContact CE1-CB 4.07Å; F69-V158 HydrophobicContact CE1-CG2 3.72Å; F69-V158 HydrophobicContact CE2-CB 4.26Å; F69-V158 HydrophobicContact CE2-CG2 4.03Å; F69-V158 HydrophobicContact CZ-CB 3.64Å; F69-V158 HydrophobicContact CZ-CG1 4.27Å; F69-V158 HydrophobicContact CZ-CG2 3.61Å; F69-L159 HydrophobicContact CE1-CB 4.46Å; F69-L159 WeakPolarHBondContact CE1-O 3.23Å; F69-L242 HydrophobicContact CE2-CB 3.78Å; F69-L242 HydrophobicContact CZ-CB 3.76Å; F69-L242 HydrophobicContact CZ-CD2 4.46Å
70H93.2Very high96.7Very high31 Ų3114.3 Ų14.314%0.1447%0.068CC..SBendtrans-70.3151178.8-68.6150000111.1H68 D72 H73 C74 H157 V158H68-H70 AromaticContact CD2-CG 3.57Å; H68-H70 AromaticContact CD2-ND1 3.35Å; H68-H70 PolarHBondContact CD2-ND1 3.02Å; H68-H70 VanDerWaalsContact CD2-ND1 3.35Å; H68-H70 WeakPolarHBondContact NE2-CB 3.45Å; H68-H70 AromaticContact NE2-CG 3.51Å; H68-H70 AromaticContact NE2-ND1 3.06Å; H68-H70 PolarHBondContact NE2-ND1 2.75Å; H70-D72 WeakPolarHBondContact CB-OD1 3.46Å; H70-D72 PolarHBondContact O-N 3.23Å; H70-H73 CarbonylContact O-C 3.44Å; H70-H73 WeakPolarHBondContact O-CA 3.3Å; H70-H73 PolarHBondContact O-N 3.46Å; H70-C74 PolarHBondContact O-N 3.07Å; H70-C74 PolarHBondContact O-SG 2.82Å; H70-C74 VanDerWaalsContact O-SG 3.36Å; H70-H157 AromaticContact CE1-NE2 3.15Å; H70-H157 PolarHBondContact CE1-NE2 3.01Å; H70-H157 AromaticContact ND1-NE2 3.19Å; H70-H157 PolarHBondContact ND1-NE2 3.16Å; H70-H157 VanDerWaalsContact ND1-NE2 3.19Å; H70-V158 VanDerWaalsContact CE1-CG1 3.4Å; H70-V158 WeakPolarHBondContact CE1-CG1 3.19Å
71L92.3Very high96.7Very high33 Ų3310.5 Ų10.517%0.1735%0.051CC..Hα-helixtrans-67.5-25.2-171.4-65.5175.9000112.9G34 M35 M37 H73 G75 L103 L104 F107G34-L71 CarbonylContact C-O 3.01Å; G34-L71 WeakPolarHBondContact CA-O 3.24Å; M35-L71 PolarHBondContact N-O 3.01Å; M37-L71 HydrophobicContact CE-CB 3.71Å; M37-L71 HydrophobicContact CE-CD1 4.37Å; M37-L71 HydrophobicContact SD-CB 4.17Å; M37-L71 HydrophobicContact SD-CD1 4.01Å; L71-H73 PolarHBondContact O-N 3.38Å; L71-G75 WeakPolarHBondContact O-CA 3.23Å; L71-G75 PolarHBondContact O-N 2.86Å; L71-L103 HydrophobicContact CD2-CB 4.43Å; L71-L104 HydrophobicContact CD2-CD2 4.27Å; L71-F107 HydrophobicContact CD1-CB 3.98Å; L71-F107 HydrophobicContact CD1-CD2 3.66Å; L71-F107 HydrophobicContact CD1-CE2 4.4Å; L71-F107 HydrophobicContact CD1-CG 3.8Å; L71-F107 HydrophobicContact CD2-CB 4.17Å; L71-F107 HydrophobicContact CD2-CG 4.38Å
72D93.4Very high96.7Very high33 Ų3312.9 Ų12.918%0.1766%0.062CC..Hα-helixtrans-71.8-5.4169.849.1-21.9000114.3S18 G34 H70 H414S18-D72 VanDerWaalsContact CB-O 3.25Å; S18-D72 WeakPolarHBondContact CB-O 3.48Å; S18-D72 PolarHBondContact N-O 2.74Å; S18-D72 PolarHBondContact OG-O 2.81Å; G34-D72 VanDerWaalsContact CA-O 3.25Å; G34-D72 WeakPolarHBondContact CA-O 3.37Å; H70-D72 WeakPolarHBondContact CB-OD1 3.46Å; H70-D72 PolarHBondContact O-N 3.23Å; D72-H414 IonicContact OD2-CE1 3.75Å; D72-H414 IonicContact OD2-NE2 2.83Å
73H97.3Very high96.5Very high1 Ų113.8 Ų13.81%0.0057%0.065CC..Hα-helixtrans-122.9-23.5176-70-97000113.8S18 D32 C33 G34 S67 H68 H70 L71 D178 H414S18-H73 PolarHBondContact OG-CE1 2.8Å; D32-H73 HydrophobicContact CB-CB 4.27Å; D32-H73 WeakPolarHBondContact CB-O 3.38Å; D32-H73 IonicContact OD2-CE1 3.84Å; D32-H73 IonicContact OD2-CG 3.85Å; D32-H73 IonicContact OD2-ND1 2.69Å; D32-H73 PolarHBondContact OD2-ND1 2.94Å; C33-H73 CarbonylContact C-O 3.09Å; C33-H73 VanDerWaalsContact C-O 3.29Å; C33-H73 PolarHBondContact N-O 3.38Å; G34-H73 PolarHBondContact N-O 3.38Å; S67-H73 PolarHBondContact OG-ND1 2.81Å; H68-H73 AromaticContact CE1-CD2 3.1Å; H68-H73 PolarHBondContact CE1-CD2 3.37Å; H68-H73 AromaticContact CE1-CE1 3.69Å; H68-H73 AromaticContact CE1-CG 3.24Å; H68-H73 AromaticContact CE1-ND1 3.6Å; H68-H73 AromaticContact CE1-NE2 3.43Å; H68-H73 PolarHBondContact CE1-NE2 3.24Å; H68-H73 AromaticContact ND1-CG 3.71Å; H68-H73 AromaticContact ND1-ND1 3.93Å; H68-H73 AromaticContact NE2-CD2 3.55Å; H68-H73 AromaticContact NE2-CG 3.94Å; H70-H73 CarbonylContact O-C 3.44Å; H70-H73 WeakPolarHBondContact O-CA 3.3Å; H70-H73 PolarHBondContact O-N 3.46Å; L71-H73 PolarHBondContact O-N 3.38Å; H73-D178 IonicContact CD2-OD2 3.69Å; H73-D178 IonicContact NE2-OD1 3.08Å; H73-D178 IonicContact NE2-OD2 2.76Å; H73-D178 PolarHBondContact NE2-OD2 3.37Å; H73-H414 AromaticContact NE2-NE2 3.92Å
74C96.9Very high96.3Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-131.5-1.6177.774.90000115.2C33 I66 F69 H70 A76 L77C33-C74 CarbonylContact O-C 3.56Å; C33-C74 VanDerWaalsContact O-CA 3.29Å; C33-C74 WeakPolarHBondContact O-CA 3.44Å; I66-C74 HydrophobicContact CG2-CB 3.9Å; F69-C74 VanDerWaalsContact C-SG 3.58Å; F69-C74 PolarHBondContact O-SG 2.84Å; H70-C74 PolarHBondContact O-N 3.07Å; H70-C74 PolarHBondContact O-SG 2.82Å; H70-C74 VanDerWaalsContact O-SG 3.36Å; C74-A76 VanDerWaalsContact C-N 3.28Å; C74-A76 PolarHBondContact O-N 3.3Å; C74-L77 WeakPolarHBondContact O-CB 3.35Å; C74-L77 PolarHBondContact O-N 3.01Å
75G95.7Very high96.2Very high0 Ų016.4 Ų16.40%08%0.083CC..THydrogen-bonded Turntrans-64.9-25.6-169.900000115.1C33 L71 F121C33-G75 PolarHBondContact O-N 2.88Å; L71-G75 WeakPolarHBondContact O-CA 3.23Å; L71-G75 PolarHBondContact O-N 2.86Å; G75-F121 WeakPolarHBondContact O-CE1 3.44Å
76A96.9Very high96.1Very high0 Ų016.4 Ų16.40%08%0.083CC..THydrogen-bonded Turntrans-96.31.5175.900000112.7C33 G34 M35 F45 C74 Y79 M80C33-A76 CarbonylContact O-C 3.5Å; C33-A76 PolarHBondContact O-N 2.86Å; C33-A76 VanDerWaalsContact SG-C 3.58Å; G34-A76 WeakPolarHBondContact O-CB 3.39Å; M35-A76 HydrophobicContact CB-CB 4.35Å; F45-A76 HydrophobicContact CD1-CB 3.88Å; F45-A76 HydrophobicContact CE1-CB 4.48Å; C74-A76 VanDerWaalsContact C-N 3.28Å; C74-A76 PolarHBondContact O-N 3.3Å; A76-Y79 WeakPolarHBondContact O-CB 3.23Å; A76-Y79 PolarHBondContact O-N 2.69Å; A76-Y79 VanDerWaalsContact O-N 3.1Å; A76-M80 PolarHBondContact O-N 2.8Å
77L97.8Very high96Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-58.4-45-174.3-173.766.3000113.3C33 V64 I66 C74 Y79 M80 S81 I90 M92C33-L77 HydrophobicContact CB-CB 4.44Å; C33-L77 HydrophobicContact CB-CD1 4.09Å; C33-L77 PolarHBondContact O-N 3.2Å; V64-L77 HydrophobicContact CG1-CD1 4.33Å; I66-L77 HydrophobicContact CD1-CD1 3.98Å; I66-L77 HydrophobicContact CD1-CD2 4.38Å; I66-L77 HydrophobicContact CG1-CD1 4.42Å; I66-L77 HydrophobicContact CG1-CD2 4.09Å; C74-L77 WeakPolarHBondContact O-CB 3.35Å; C74-L77 PolarHBondContact O-N 3.01Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 2.95Å; L77-M80 HydrophobicContact CD1-CE 3.68Å; L77-M80 PolarHBondContact O-N 3.43Å; L77-S81 WeakPolarHBondContact O-CB 2.97Å; L77-S81 PolarHBondContact O-N 3Å; L77-I90 HydrophobicContact CD1-CD1 4.16Å; L77-I90 HydrophobicContact CD1-CG2 4.46Å; L77-I90 HydrophobicContact CD2-CG2 4.39Å; L77-M92 HydrophobicContact CD2-CE 4.02Å
78P97.5Very high95.9Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-69.6-30.6176.3-18.633.1000113.2E82 L104 F121 I126P78-E82 WeakPolarHBondContact O-CB 3.34Å; P78-E82 PolarHBondContact O-N 3.32Å; P78-L104 HydrophobicContact CG-CD1 3.65Å; P78-L104 HydrophobicContact CG-CD2 4.11Å; P78-L104 HydrophobicContact CG-CG 4.39Å; P78-F121 HydrophobicContact CB-CB 4.01Å; P78-F121 HydrophobicContact CB-CD1 3.95Å; P78-F121 HydrophobicContact CB-CD2 3.93Å; P78-F121 HydrophobicContact CB-CE1 4.36Å; P78-F121 HydrophobicContact CB-CE2 4.36Å; P78-F121 HydrophobicContact CB-CG 3.71Å; P78-F121 HydrophobicContact CG-CD1 4.32Å; P78-F121 HydrophobicContact CG-CD2 4.14Å; P78-F121 HydrophobicContact CG-CE1 4.23Å; P78-F121 HydrophobicContact CG-CE2 4.08Å; P78-F121 HydrophobicContact CG-CG 4.27Å; P78-F121 HydrophobicContact CG-CZ 4.11Å; P78-I126 HydrophobicContact CB-CG1 4.36Å; P78-I126 HydrophobicContact CG-CG1 4.09Å
79Y95.8Very high95.9Very high53 Ų5322.2 Ų22.221%0.20812%0.119CC..Iπ-helixtrans-64.5-51174.4171.9-94.2000110.3F45 F48 A76 L77 M83 V84F45-Y79 HydrophobicContact CB-CE1 4.26Å; F45-Y79 AromaticContact CD1-CD1 3.69Å; F45-Y79 HydrophobicContact CD1-CD1 3.69Å; F45-Y79 HydrophobicContact CD1-CD2 4.46Å; F45-Y79 HydrophobicContact CD1-CE1 4.05Å; F45-Y79 AromaticContact CD1-CG 3.93Å; F45-Y79 HydrophobicContact CD1-CG 3.93Å; F45-Y79 HydrophobicContact CD2-CE1 4.31Å; F45-Y79 AromaticContact CE1-CD1 3.99Å; F45-Y79 HydrophobicContact CE1-CD1 3.99Å; F45-Y79 AromaticContact CE1-CD2 3.99Å; F45-Y79 HydrophobicContact CE1-CD2 3.99Å; F45-Y79 AromaticContact CE1-CG 3.71Å; F45-Y79 HydrophobicContact CE1-CG 3.71Å; F45-Y79 HydrophobicContact CE2-CD2 4.44Å; F45-Y79 HydrophobicContact CE2-CE2 4.24Å; F45-Y79 HydrophobicContact CG-CD1 4.08Å; F45-Y79 AromaticContact CG-CE1 3.95Å; F45-Y79 HydrophobicContact CG-CE1 3.95Å; F45-Y79 AromaticContact CZ-CD2 3.98Å; F45-Y79 HydrophobicContact CZ-CD2 3.98Å; F45-Y79 HydrophobicContact CZ-CE2 4.24Å; F45-Y79 HydrophobicContact CZ-CG 4.19Å; F48-Y79 HydrophobicContact CD2-CE1 4.35Å; F48-Y79 HydrophobicContact CE2-CD1 4.03Å; F48-Y79 AromaticContact CE2-CE1 3.89Å; F48-Y79 HydrophobicContact CE2-CE1 3.89Å; A76-Y79 WeakPolarHBondContact O-CB 3.23Å; A76-Y79 PolarHBondContact O-N 2.69Å; A76-Y79 VanDerWaalsContact O-N 3.1Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 2.95Å; Y79-M83 HydrophobicContact CD2-CB 4Å; Y79-M83 HydrophobicContact CD2-CE 4.29Å; Y79-M83 HydrophobicContact CD2-CG 4.22Å; Y79-M83 HydrophobicContact CD2-SD 3.55Å; Y79-M83 VanDerWaalsContact CD2-SD 3.55Å; Y79-M83 HydrophobicContact CE2-CB 4.22Å; Y79-M83 HydrophobicContact CE2-CE 4.29Å; Y79-M83 HydrophobicContact CE2-SD 4.13Å; Y79-M83 WeakPolarHBondContact O-CA 3.39Å; Y79-M83 VanDerWaalsContact O-CB 3.25Å; Y79-M83 WeakPolarHBondContact O-CB 3.49Å; Y79-M83 PolarHBondContact O-N 2.78Å; Y79-V84 HydrophobicContact CD1-CG2 3.88Å; Y79-V84 HydrophobicContact CE1-CG2 3.46Å; Y79-V84 VanDerWaalsContact CE1-CG2 3.46Å; Y79-V84 PolarHBondContact O-N 3.16Å
80M96.8Very high96.1Very high0 Ų022.2 Ų22.20%012%0.119CC..Iπ-helixtrans-60.9-47.4176.9-175.9-78-58.400111.8M30 C33 F48 L57 V64 A76 L77 V84 G85 Y86M30-M80 HydrophobicContact CE-CE 3.56Å; M30-M80 HydrophobicContact CE-CG 3.95Å; M30-M80 HydrophobicContact CE-SD 3.76Å; C33-M80 VanDerWaalsContact SG-CB 3.53Å; F48-M80 HydrophobicContact CD1-CG 4.24Å; F48-M80 HydrophobicContact CE1-CB 4.14Å; F48-M80 HydrophobicContact CE1-CG 3.52Å; F48-M80 HydrophobicContact CE2-CB 4.28Å; F48-M80 HydrophobicContact CE2-CG 4.39Å; F48-M80 HydrophobicContact CZ-CB 3.68Å; F48-M80 HydrophobicContact CZ-CG 3.62Å; L57-M80 HydrophobicContact CD1-CG 3.61Å; L57-M80 HydrophobicContact CD1-SD 3.61Å; V64-M80 HydrophobicContact CG1-CE 4.46Å; V64-M80 HydrophobicContact CG2-CE 4.14Å; A76-M80 PolarHBondContact O-N 2.8Å; L77-M80 HydrophobicContact CD1-CE 3.68Å; L77-M80 PolarHBondContact O-N 3.43Å; M80-V84 WeakPolarHBondContact O-CB 3.48Å; M80-G85 PolarHBondContact O-N 3.44Å; M80-Y86 HydrophobicContact CE-CD1 4.13Å; M80-Y86 HydrophobicContact CE-CG 4.45Å; M80-Y86 VanDerWaalsContact SD-CB 3.54Å; M80-Y86 HydrophobicContact SD-CD1 4.24Å; M80-Y86 HydrophobicContact SD-CG 3.97Å
81S97.3Very high96.3Very high1 Ų121.3 Ų21.31%0.00711%0.114CC..Iπ-helixtrans-65.9-47.2-176.7-174.40000113.2L77 G85 Y86 K132L77-S81 WeakPolarHBondContact O-CB 2.97Å; L77-S81 PolarHBondContact O-N 3Å; S81-G85 WeakPolarHBondContact O-CA 3.42Å; S81-Y86 PolarHBondContact O-N 2.85Å; S81-Y86 PolarHBondContact OG-O 2.85Å; S81-K132 PolarHBondContact OG-NZ 2.86Å
82E96.5Very high96.6Very high59 Ų5919.8 Ų19.828%0.27611%0.106SC..Iπ-helixtrans-109.7-26-167-52.8-52.8127.700114.3P78 M125 C129 K132P78-E82 WeakPolarHBondContact O-CB 3.34Å; P78-E82 PolarHBondContact O-N 3.32Å; E82-M125 HydrophobicContact CB-CB 3.95Å; E82-M125 HydrophobicContact CB-CE 3.58Å; E82-M125 HydrophobicContact CB-CG 3.89Å; E82-M125 HydrophobicContact CG-CB 3.78Å; E82-M125 HydrophobicContact CG-CG 4.16Å; E82-C129 HydrophobicContact CG-CB 4.42Å; E82-K132 IonicContact OE1-NZ 3.54Å; E82-K132 PolarHBondContact OE1-NZ 3.07Å; E82-K132 IonicContact OE2-NZ 2.96Å
83M93.9Very high96.9Very high73 Ų7318.3 Ų18.336%0.3610%0.098SC..Iπ-helixtrans-96.4-44.5178.8-58.4-176.966.700112.2Y79 N119 F121 M125Y79-M83 HydrophobicContact CD2-CB 4Å; Y79-M83 HydrophobicContact CD2-CE 4.29Å; Y79-M83 HydrophobicContact CD2-CG 4.22Å; Y79-M83 HydrophobicContact CD2-SD 3.55Å; Y79-M83 VanDerWaalsContact CD2-SD 3.55Å; Y79-M83 HydrophobicContact CE2-CB 4.22Å; Y79-M83 HydrophobicContact CE2-CE 4.29Å; Y79-M83 HydrophobicContact CE2-SD 4.13Å; Y79-M83 WeakPolarHBondContact O-CA 3.39Å; Y79-M83 VanDerWaalsContact O-CB 3.25Å; Y79-M83 WeakPolarHBondContact O-CB 3.49Å; Y79-M83 PolarHBondContact O-N 2.78Å; M83-N119 WeakPolarHBondContact CE-OD1 3.46Å; M83-F121 HydrophobicContact SD-CB 4.45Å; M83-M125 HydrophobicContact CB-CE 4.44Å; M83-M125 HydrophobicContact CG-CE 3.13Å; M83-M125 HydrophobicContact SD-CE 3.83Å
84V94.1Very high96.9Very high48 Ų4821.3 Ų21.329%0.29111%0.112SC..Iπ-helixtrans-78.8-40.8175.7-173.10000110.1F48 L57 Y79 M80F48-V84 HydrophobicContact CB-CG1 4.49Å; F48-V84 HydrophobicContact CD2-CG1 4.49Å; F48-V84 HydrophobicContact CD2-CG2 3.98Å; F48-V84 HydrophobicContact CE2-CG2 4.2Å; L57-V84 HydrophobicContact CD1-CB 4.19Å; L57-V84 HydrophobicContact CD1-CG1 3.67Å; L57-V84 HydrophobicContact CD2-CG1 4.47Å; L57-V84 HydrophobicContact CG-CG1 3.92Å; Y79-V84 HydrophobicContact CD1-CG2 3.88Å; Y79-V84 HydrophobicContact CE1-CG2 3.46Å; Y79-V84 VanDerWaalsContact CE1-CG2 3.46Å; Y79-V84 PolarHBondContact O-N 3.16Å; M80-V84 WeakPolarHBondContact O-CB 3.48Å
85G95.1Very high96.9Very high8 Ų821.3 Ų21.38%0.08211%0.112CC..Iπ-helixtrans105.9102.417100000112.3L57 M80 S81L57-G85 WeakPolarHBondContact CB-O 3.35Å; L57-G85 PolarHBondContact N-O 3.42Å; M80-G85 PolarHBondContact O-N 3.44Å; S81-G85 WeakPolarHBondContact O-CA 3.42Å
86Y97.7Very high97Very high0 Ų021.3 Ų21.30%011%0.112CC..  trans-147.7126.7173.6176.8-104.3000110.1L57 T58 L61 C63 V64 M80 S81 G88 P89 I90 K132L57-Y86 HydrophobicContact CB-CD2 4.11Å; T58-Y86 WeakPolarHBondContact OG1-CA 3.25Å; L61-Y86 HydrophobicContact CB-CD2 4.41Å; L61-Y86 HydrophobicContact CB-CE2 3.79Å; L61-Y86 HydrophobicContact CD1-CD2 4.28Å; L61-Y86 HydrophobicContact CD1-CE2 4.26Å; C63-Y86 WeakPolarHBondContact CA-OH 3.42Å; V64-Y86 HydrophobicContact CB-CE1 4.28Å; V64-Y86 HydrophobicContact CG2-CD1 4.08Å; V64-Y86 HydrophobicContact CG2-CE1 3.48Å; V64-Y86 VanDerWaalsContact CG2-CE1 3.48Å; V64-Y86 HydrophobicContact CG2-CE2 4.3Å; M80-Y86 HydrophobicContact CE-CD1 4.13Å; M80-Y86 HydrophobicContact CE-CG 4.45Å; M80-Y86 VanDerWaalsContact SD-CB 3.54Å; M80-Y86 HydrophobicContact SD-CD1 4.24Å; M80-Y86 HydrophobicContact SD-CG 3.97Å; S81-Y86 PolarHBondContact O-N 2.85Å; S81-Y86 PolarHBondContact OG-O 2.85Å; Y86-G88 VanDerWaalsContact CE1-C 3.44Å; Y86-G88 VanDerWaalsContact CE1-O 3.22Å; Y86-G88 WeakPolarHBondContact CE1-O 3.3Å; Y86-G88 VanDerWaalsContact CZ-C 3.49Å; Y86-G88 VanDerWaalsContact OH-C 3.27Å; Y86-G88 WeakPolarHBondContact OH-CA 3.45Å; Y86-P89 PolarHBondContact OH-O 3.5Å; Y86-I90 HydrophobicContact CD1-CG1 4.41Å; Y86-I90 HydrophobicContact CE1-CG1 3.95Å; Y86-K132 PolarHBondContact O-NZ 3.07Å
87D97Very high97Very high78 Ų7824.7 Ų24.742%0.41713%0.127SC..  trans-1205.7-178.5-55.8-64.7000113.7R56 T58 K132R56-D87 IonicContact CZ-OD2 2.8Å; R56-D87 VanDerWaalsContact CZ-OD2 3.28Å; R56-D87 IonicContact NE-OD2 3.9Å; R56-D87 PolarHBondContact NE-OD2 3.35Å; R56-D87 IonicContact NH2-OD1 3.62Å; R56-D87 IonicContact NH2-OD2 2.89Å; R56-D87 PolarHBondContact NH2-OD2 3.35Å; T58-D87 HydrophobicContact CG2-CB 4.47Å; T58-D87 PolarHBondContact OG1-N 2.96Å; D87-K132 WeakPolarHBondContact OD1-CE 3.34Å; D87-K132 IonicContact OD1-NZ 3.98Å; D87-K132 PolarHBondContact OD1-NZ 3.24Å
88G96.6Very high96.9Very high12 Ų1225.9 Ų25.912%0.12414%0.137CC..SBendtrans-75.7179.9177.200000113.6Y86Y86-G88 VanDerWaalsContact CE1-C 3.44Å; Y86-G88 VanDerWaalsContact CE1-O 3.22Å; Y86-G88 WeakPolarHBondContact CE1-O 3.3Å; Y86-G88 VanDerWaalsContact CZ-C 3.49Å; Y86-G88 VanDerWaalsContact OH-C 3.27Å; Y86-G88 WeakPolarHBondContact OH-CA 3.45Å
89P97.4Very high96.8Very high36 Ų3626 Ų2623%0.23414%0.137CC..  trans-73134.9-175.829.5-34.4000112.5D62 C63 V64 Y86 Y91 I134D62-P89 WeakPolarHBondContact O-CD 3.39Å; D62-P89 WeakPolarHBondContact O-CG 3.48Å; C63-P89 HydrophobicContact CB-CG 3.9Å; V64-P89 PolarHBondContact N-O 2.87Å; Y86-P89 PolarHBondContact OH-O 3.5Å; P89-Y91 HydrophobicContact CB-CE2 3.85Å; P89-Y91 HydrophobicContact CG-CE2 4.06Å; P89-I134 HydrophobicContact CB-CD1 3.74Å
90I98.7Very high96.8Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-110.9119.8173.7-55.3170.9000109.1V64 I66 L77 Y86 M92 K132 V133 I134V64-I90 HydrophobicContact CB-CG1 4.26Å; V64-I90 HydrophobicContact CB-CG2 4.46Å; V64-I90 HydrophobicContact CG1-CG2 4.42Å; V64-I90 CarbonylContact O-C 3.52Å; V64-I90 WeakPolarHBondContact O-CA 3.37Å; I66-I90 HydrophobicContact CG1-CG2 4.07Å; L77-I90 HydrophobicContact CD1-CD1 4.16Å; L77-I90 HydrophobicContact CD1-CG2 4.46Å; L77-I90 HydrophobicContact CD2-CG2 4.39Å; Y86-I90 HydrophobicContact CD1-CG1 4.41Å; Y86-I90 HydrophobicContact CE1-CG1 3.95Å; I90-M92 HydrophobicContact CG2-CE 3.67Å; I90-K132 HydrophobicContact CD1-CB 4.04Å; I90-K132 HydrophobicContact CG1-CB 4.33Å; I90-K132 PolarHBondContact N-O 2.87Å; I90-K132 VanDerWaalsContact N-O 3.13Å; I90-V133 HydrophobicContact CB-CG2 4.02Å; I90-V133 HydrophobicContact CG2-CG2 4.06Å; I90-V133 CarbonylContact O-C 3.58Å; I90-V133 WeakPolarHBondContact O-CA 3.4Å; I90-I134 PolarHBondContact O-N 3.19Å
91Y98.7Very high96.7Very high13 Ų1325.2 Ų25.25%0.05114%0.139CC..EExtended strand (participates in β ladder)trans-99.8132.4178.7-64.5-83.9000111.5C63 V64 I65 I66 P89 I134 L136 V142 V144 I150C63-Y91 HydrophobicContact CB-CD2 3.88Å; C63-Y91 HydrophobicContact CB-CE2 3.64Å; V64-Y91 PolarHBondContact O-N 3.29Å; I65-Y91 CarbonylContact C-O 3.46Å; I65-Y91 WeakPolarHBondContact CA-O 3.26Å; I66-Y91 PolarHBondContact N-O 3.06Å; P89-Y91 HydrophobicContact CB-CE2 3.85Å; P89-Y91 HydrophobicContact CG-CE2 4.06Å; Y91-I134 WeakPolarHBondContact CA-O 3.33Å; Y91-I134 HydrophobicContact CD1-CB 3.83Å; Y91-I134 HydrophobicContact CD1-CG2 4Å; Y91-I134 HydrophobicContact CE1-CB 3.76Å; Y91-I134 HydrophobicContact CE1-CD1 3.95Å; Y91-I134 HydrophobicContact CE1-CG1 4.43Å; Y91-I134 HydrophobicContact CE1-CG2 3.71Å; Y91-L136 HydrophobicContact CD1-CD2 3.8Å; Y91-L136 HydrophobicContact CD1-CG 4.26Å; Y91-V142 HydrophobicContact CE1-CG1 4.33Å; Y91-V144 HydrophobicContact CE2-CG1 4.22Å; Y91-V144 HydrophobicContact CE2-CG2 4.07Å; Y91-I150 HydrophobicContact CD1-CD1 3.54Å; Y91-I150 HydrophobicContact CD2-CD1 3.85Å; Y91-I150 HydrophobicContact CE1-CD1 3.84Å; Y91-I150 HydrophobicContact CE2-CD1 4.15Å; Y91-I150 HydrophobicContact CG-CD1 3.52Å
92M98.3Very high96.4Very high1 Ų126.7 Ų26.71%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-157.5165.4169.969.4-170.564.300109.8I66 L77 I90 T96 K97 M130 V133 I134 P135 L136I66-M92 HydrophobicContact CB-CB 3.99Å; I66-M92 HydrophobicContact CB-CE 4.16Å; I66-M92 HydrophobicContact CG1-CE 3.86Å; L77-M92 HydrophobicContact CD2-CE 4.02Å; I90-M92 HydrophobicContact CG2-CE 3.67Å; M92-T96 HydrophobicContact CB-CG2 3.97Å; M92-T96 HydrophobicContact CG-CG2 4.15Å; M92-T96 HydrophobicContact SD-CG2 3.85Å; M92-K97 HydrophobicContact CG-CB 3.99Å; M92-K97 VanDerWaalsContact SD-CA 3.53Å; M92-K97 HydrophobicContact SD-CB 4.03Å; M92-M130 HydrophobicContact CE-CE 4.49Å; M92-M130 HydrophobicContact SD-CE 4.12Å; M92-V133 HydrophobicContact CE-CB 4.34Å; M92-V133 HydrophobicContact CE-CG1 3.75Å; M92-V133 HydrophobicContact CE-CG2 3.56Å; M92-V133 HydrophobicContact CG-CG1 3.5Å; M92-V133 HydrophobicContact SD-CG1 3.74Å; M92-V133 HydrophobicContact SD-CG2 4.35Å; M92-I134 PolarHBondContact N-O 3.04Å; M92-P135 CarbonylContact O-C 3.6Å; M92-P135 WeakPolarHBondContact O-CA 3.45Å; M92-L136 PolarHBondContact O-N 3.18Å
93T98.4Very high96.2Very high1 Ų125 Ų251%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-70159.2179.263.40000112.9T96 K97 L136 G160 A162 W285T93-T96 PolarHBondContact O-N 2.83Å; T93-T96 WeakPolarHBondContact OG1-CB 3.23Å; T93-T96 PolarHBondContact OG1-N 2.49Å; T93-T96 PolarHBondContact OG1-OG1 3.16Å; T93-K97 PolarHBondContact O-N 3.31Å; T93-L136 WeakPolarHBondContact CA-O 3.45Å; T93-G160 WeakPolarHBondContact CB-O 3.38Å; T93-G160 VanDerWaalsContact CG2-O 3.25Å; T93-G160 WeakPolarHBondContact CG2-O 3.4Å; T93-G160 PolarHBondContact OG1-O 2.99Å; T93-A162 HydrophobicContact CG2-CB 3.57Å; T93-W285 HydrophobicContact CG2-CH2 3.81Å; T93-W285 HydrophobicContact CG2-CZ3 3.85Å
94H97.5Very high96.1Very high65 Ų6521.6 Ų21.630%0.30112%0.122SC..Hα-helixtrans-51.9-46.5176.3-77.7-83.6000114.2K97 A98 P135 L136 N137 F282 W285H94-K97 PolarHBondContact O-N 3.35Å; H94-A98 PolarHBondContact O-N 3.08Å; H94-P135 VanDerWaalsContact CE1-CB 3.46Å; H94-P135 WeakPolarHBondContact CE1-CB 3.26Å; H94-L136 PolarHBondContact CD2-O 2.97Å; H94-L136 PolarHBondContact N-O 3.18Å; H94-N137 PolarHBondContact CD2-OD1 2.94Å; H94-N137 PolarHBondContact NE2-OD1 3.43Å; H94-F282 HydrophobicContact CB-CE1 4.09Å; H94-W285 HydrophobicContact CB-CZ2 4.33Å
95P97.1Very high96Very high0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-68.2-39177.9-16.830.3000112.6K97 A98 I99 L159 F282 W285P95-K97 VanDerWaalsContact C-N 3.35Å; P95-K97 PolarHBondContact O-N 2.84Å; P95-A98 PolarHBondContact O-N 3.04Å; P95-A98 VanDerWaalsContact O-N 3.16Å; P95-I99 HydrophobicContact CB-CD1 4.48Å; P95-I99 WeakPolarHBondContact O-CD1 3.46Å; P95-I99 WeakPolarHBondContact O-CG1 3.47Å; P95-I99 PolarHBondContact O-N 3.21Å; P95-L159 HydrophobicContact CB-CG 4.16Å; P95-F282 HydrophobicContact CB-CB 4.37Å; P95-F282 HydrophobicContact CB-CD1 4.31Å; P95-F282 HydrophobicContact CB-CD2 3.89Å; P95-F282 HydrophobicContact CB-CE2 4.22Å; P95-F282 HydrophobicContact CB-CG 3.94Å; P95-F282 HydrophobicContact CG-CB 4.14Å; P95-F282 HydrophobicContact CG-CD1 3.86Å; P95-F282 HydrophobicContact CG-CD2 4.32Å; P95-F282 HydrophobicContact CG-CE1 4.34Å; P95-F282 HydrophobicContact CG-CG 3.85Å; P95-W285 HydrophobicContact CG-CB 4.4Å; P95-W285 HydrophobicContact CG-CD2 3.49Å; P95-W285 VanDerWaalsContact CG-CD2 3.49Å; P95-W285 HydrophobicContact CG-CE3 3.87Å; P95-W285 HydrophobicContact CG-CG 3.73Å; P95-W285 HydrophobicContact CG-CZ2 4.22Å; P95-W285 HydrophobicContact CG-CZ3 4.34Å
96T97.6Very high95.7Very high0 Ų024.2 Ų24.20%013%0.131CC..Hα-helixtrans-60.1-44.9176.2-62.20000111I66 F69 M92 T93 A98 I99 C100 G160I66-T96 HydrophobicContact CG2-CG2 4.32Å; F69-T96 HydrophobicContact CB-CG2 4.13Å; M92-T96 HydrophobicContact CB-CG2 3.97Å; M92-T96 HydrophobicContact CG-CG2 4.15Å; M92-T96 HydrophobicContact SD-CG2 3.85Å; T93-T96 PolarHBondContact O-N 2.83Å; T93-T96 WeakPolarHBondContact OG1-CB 3.23Å; T93-T96 PolarHBondContact OG1-N 2.49Å; T93-T96 PolarHBondContact OG1-OG1 3.16Å; T96-A98 PolarHBondContact O-N 2.92Å; T96-I99 PolarHBondContact O-N 3.19Å; T96-C100 WeakPolarHBondContact O-CB 3.48Å; T96-C100 PolarHBondContact O-N 3Å; T96-G160 PolarHBondContact OG1-O 2.91Å
97K97.4Very high95.1Very high71 Ų7125.4 Ų25.431%0.30914%0.137SC..Hα-helixtrans-56.4-36.9175.6-177.8175.5-176164.90113.1M92 T93 H94 P95 P101 M130 V133 P135M92-K97 HydrophobicContact CG-CB 3.99Å; M92-K97 VanDerWaalsContact SD-CA 3.53Å; M92-K97 HydrophobicContact SD-CB 4.03Å; T93-K97 PolarHBondContact O-N 3.31Å; H94-K97 PolarHBondContact O-N 3.35Å; P95-K97 VanDerWaalsContact C-N 3.35Å; P95-K97 PolarHBondContact O-N 2.84Å; K97-P101 VanDerWaalsContact O-CD 3.23Å; K97-P101 WeakPolarHBondContact O-CD 3.45Å; K97-M130 HydrophobicContact CB-CE 4.36Å; K97-M130 HydrophobicContact CG-CE 3.66Å; K97-V133 HydrophobicContact CB-CG1 4.25Å; K97-V133 HydrophobicContact CD-CB 4.34Å; K97-V133 HydrophobicContact CD-CG1 3.79Å; K97-V133 HydrophobicContact CG-CG1 3.91Å; K97-V133 PolarHBondContact NZ-O 3Å; K97-P135 HydrophobicContact CD-CB 4.18Å
98A96.1Very high94.8Very high25 Ų2523.7 Ų23.721%0.20712%0.124CC..Hα-helixtrans-79.6-33.3-177.900000113.2H94 P95 T96 Y278 F282H94-A98 PolarHBondContact O-N 3.08Å; P95-A98 PolarHBondContact O-N 3.04Å; P95-A98 VanDerWaalsContact O-N 3.16Å; T96-A98 PolarHBondContact O-N 2.92Å; A98-Y278 HydrophobicContact CB-CD1 4.14Å; A98-Y278 HydrophobicContact CB-CE1 3.74Å; A98-F282 HydrophobicContact CB-CE2 3.6Å; A98-F282 HydrophobicContact CB-CZ 3.78Å
99I95Very high94.4Very high1 Ų127.9 Ų27.91%0.00514%0.139CC..Hα-helixtrans-91.4-38.5-173.1-65.3164.9000111.8F69 P95 T96 I102 L103 L159 L242 Y278F69-I99 HydrophobicContact CB-CB 4.37Å; F69-I99 HydrophobicContact CB-CG2 4.09Å; F69-I99 HydrophobicContact CD1-CB 3.88Å; F69-I99 HydrophobicContact CD1-CD1 3.82Å; F69-I99 HydrophobicContact CD1-CG1 4.47Å; F69-I99 HydrophobicContact CD1-CG2 3.7Å; F69-I99 HydrophobicContact CD2-CG2 3.9Å; F69-I99 HydrophobicContact CE1-CB 4.36Å; F69-I99 HydrophobicContact CE1-CD1 3.54Å; F69-I99 HydrophobicContact CE1-CG2 4.01Å; F69-I99 HydrophobicContact CE2-CG2 4.23Å; F69-I99 HydrophobicContact CG-CB 4.14Å; F69-I99 HydrophobicContact CG-CG2 3.62Å; F69-I99 HydrophobicContact CZ-CD1 4.35Å; F69-I99 HydrophobicContact CZ-CG2 4.27Å; P95-I99 HydrophobicContact CB-CD1 4.48Å; P95-I99 WeakPolarHBondContact O-CD1 3.46Å; P95-I99 WeakPolarHBondContact O-CG1 3.47Å; P95-I99 PolarHBondContact O-N 3.21Å; T96-I99 PolarHBondContact O-N 3.19Å; I99-I102 WeakPolarHBondContact O-CB 3.49Å; I99-I102 PolarHBondContact O-N 2.75Å; I99-L103 HydrophobicContact CG2-CD1 3.84Å; I99-L103 HydrophobicContact CG2-CG 4.29Å; I99-L103 PolarHBondContact O-N 3.47Å; I99-L159 HydrophobicContact CD1-CD2 4.2Å; I99-L242 HydrophobicContact CD1-CD2 4.17Å; I99-L242 HydrophobicContact CG2-CD1 3.61Å; I99-L242 HydrophobicContact CG2-CD2 4.28Å; I99-Y278 HydrophobicContact CD1-CG 4.44Å; I99-Y278 HydrophobicContact CG1-CD1 4.15Å; I99-Y278 HydrophobicContact CG1-CD2 4.12Å; I99-Y278 HydrophobicContact CG1-CG 3.87Å
100C95.4Very high93.7Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-46.4-54-178.8-175.50000114T96 I102 L103 L104T96-C100 WeakPolarHBondContact O-CB 3.48Å; T96-C100 PolarHBondContact O-N 3Å; C100-I102 PolarHBondContact O-N 3.26Å; C100-I102 VanDerWaalsContact O-N 3.12Å; C100-L103 PolarHBondContact O-N 3.19Å; C100-L103 VanDerWaalsContact O-N 3.15Å; C100-L104 WeakPolarHBondContact O-CG 3.4Å; C100-L104 PolarHBondContact O-N 2.9Å; C100-L104 WeakPolarHBondContact SG-CD1 3.43Å
101P95.1Very high92.9Very high37 Ų3728 Ų2824%0.2414%0.137CC..Hα-helixtrans-62.1-26.5-177.922.3-33.6000113.7K97 E105 I126 M130K97-P101 VanDerWaalsContact O-CD 3.23Å; K97-P101 WeakPolarHBondContact O-CD 3.45Å; P101-E105 VanDerWaalsContact O-CB 3.24Å; P101-E105 WeakPolarHBondContact O-CB 3.41Å; P101-E105 PolarHBondContact O-N 3.31Å; P101-I126 HydrophobicContact CB-CG2 3.91Å; P101-M130 HydrophobicContact CB-CG 4.02Å; P101-M130 HydrophobicContact CG-CG 4.29Å
102I91.9Very high92.3Very high32 Ų3229.3 Ų29.316%0.16415%0.147CC..Hα-helixtrans-76.2-42.1179.5-61.9177000110.5I99 C100 E105 D106 L271 K274 Y278I99-I102 WeakPolarHBondContact O-CB 3.49Å; I99-I102 PolarHBondContact O-N 2.75Å; C100-I102 PolarHBondContact O-N 3.26Å; C100-I102 VanDerWaalsContact O-N 3.12Å; I102-E105 PolarHBondContact O-N 2.92Å; I102-D106 WeakPolarHBondContact O-CB 3.39Å; I102-D106 PolarHBondContact O-N 2.97Å; I102-L271 HydrophobicContact CB-CD1 4.44Å; I102-L271 HydrophobicContact CG2-CD1 3.24Å; I102-K274 HydrophobicContact CD1-CD 4.45Å; I102-K274 HydrophobicContact CG2-CD 4.21Å; I102-Y278 HydrophobicContact CD1-CE2 3.31Å; I102-Y278 VanDerWaalsContact CD1-CZ 3.46Å; I102-Y278 WeakPolarHBondContact CD1-OH 3.44Å
103L90.6Very high91.6Very high25 Ų2534.3 Ų34.313%0.13117%0.174CC..Hα-helixtrans-65-42.5175.1-76.9171.3000111.3F69 L71 I99 C100 E105 D106 F107 L242 L271F69-L103 HydrophobicContact CB-CD1 4.08Å; F69-L103 HydrophobicContact CD2-CD1 3.25Å; F69-L103 HydrophobicContact CE2-CD1 3.97Å; F69-L103 HydrophobicContact CG-CD1 3.96Å; F69-L103 WeakPolarHBondContact O-CD1 3.29Å; L71-L103 HydrophobicContact CD2-CB 4.43Å; I99-L103 HydrophobicContact CG2-CD1 3.84Å; I99-L103 HydrophobicContact CG2-CG 4.29Å; I99-L103 PolarHBondContact O-N 3.47Å; C100-L103 PolarHBondContact O-N 3.19Å; C100-L103 VanDerWaalsContact O-N 3.15Å; L103-E105 PolarHBondContact O-N 3.47Å; L103-D106 PolarHBondContact O-N 3.37Å; L103-F107 VanDerWaalsContact O-CB 3.29Å; L103-F107 WeakPolarHBondContact O-CB 3.4Å; L103-F107 PolarHBondContact O-N 2.83Å; L103-L242 HydrophobicContact CD1-CD1 4.29Å; L103-L242 HydrophobicContact CD2-CD1 4.27Å; L103-L242 HydrophobicContact CG-CD1 4.31Å; L103-L271 HydrophobicContact CD2-CD2 3.55Å
104L93.3Very high90.5Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-62.8-41175.7-69.1169.6000112.1L71 P78 C100 F107 R108 F121 I126L71-L104 HydrophobicContact CD2-CD2 4.27Å; P78-L104 HydrophobicContact CG-CD1 3.65Å; P78-L104 HydrophobicContact CG-CD2 4.11Å; P78-L104 HydrophobicContact CG-CG 4.39Å; C100-L104 WeakPolarHBondContact O-CG 3.4Å; C100-L104 PolarHBondContact O-N 2.9Å; C100-L104 WeakPolarHBondContact SG-CD1 3.43Å; L104-F107 PolarHBondContact O-N 3.22Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.24Å; L104-F121 HydrophobicContact CB-CE2 4.41Å; L104-F121 HydrophobicContact CD2-CZ 3.97Å; L104-I126 HydrophobicContact CB-CD1 3.94Å; L104-I126 HydrophobicContact CB-CG1 4.27Å; L104-I126 HydrophobicContact CB-CG2 4.26Å; L104-I126 HydrophobicContact CD1-CG2 4.25Å
105E91.8Very high89.6Confident40 Ų4043.6 Ų43.619%0.18721%0.213CC..Hα-helixtrans-70.2-39.3178.1-176.959.8-14800112.2P101 I102 L103 F107 R108 K109 S123 I126P101-E105 VanDerWaalsContact O-CB 3.24Å; P101-E105 WeakPolarHBondContact O-CB 3.41Å; P101-E105 PolarHBondContact O-N 3.31Å; I102-E105 PolarHBondContact O-N 2.92Å; L103-E105 PolarHBondContact O-N 3.47Å; E105-F107 VanDerWaalsContact C-N 3.34Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE1-CZ 3.39Å; E105-R108 IonicContact OE1-NE 3.05Å; E105-R108 PolarHBondContact OE1-NE 2.88Å; E105-R108 VanDerWaalsContact OE1-NE 3.12Å; E105-R108 IonicContact OE1-NH2 2.81Å; E105-R108 PolarHBondContact OE1-NH2 3.37Å; E105-R108 IonicContact OE2-NE 3.81Å; E105-R108 PolarHBondContact OE2-NE 3.31Å; E105-K109 WeakPolarHBondContact O-CG 3.31Å; E105-K109 PolarHBondContact O-N 3.26Å; E105-K109 VanDerWaalsContact OE1-CE 3.29Å; E105-K109 WeakPolarHBondContact OE1-CE 3.08Å; E105-S123 VanDerWaalsContact CD-OG 3.24Å; E105-S123 PolarHBondContact OE1-OG 3.04Å; E105-S123 VanDerWaalsContact OE1-OG 3.11Å; E105-S123 WeakPolarHBondContact OE2-CB 3.02Å; E105-S123 PolarHBondContact OE2-OG 3.41Å; E105-I126 HydrophobicContact CB-CD1 4.35Å
106D87.6Confident88.8Confident71 Ų7146.2 Ų46.238%0.3824%0.24SC..Hα-helixtrans-63.3-43.6173.6-169.666.8000110.9I102 L103 K109 I110I102-D106 WeakPolarHBondContact O-CB 3.39Å; I102-D106 PolarHBondContact O-N 2.97Å; L103-D106 PolarHBondContact O-N 3.37Å; D106-K109 PolarHBondContact O-N 2.91Å; D106-I110 WeakPolarHBondContact O-CG1 3.29Å; D106-I110 PolarHBondContact O-N 2.93Å; D106-I110 VanDerWaalsContact O-N 3.11Å
107F86.4Confident88.1Confident25 Ų2548 Ų4811%0.1125%0.248CC..Hα-helixtrans-61.3-47.3175.9-173.5-114.2000111.9M35 M37 L71 L103 L104 E105 K109 I110 T111 F120M35-F107 HydrophobicContact CE-CD1 4.26Å; M35-F107 HydrophobicContact CE-CE1 3.09Å; M35-F107 HydrophobicContact CE-CE2 4.26Å; M35-F107 HydrophobicContact CE-CZ 3.12Å; M35-F107 HydrophobicContact SD-CE1 4.07Å; M37-F107 HydrophobicContact SD-CE2 4.14Å; L71-F107 HydrophobicContact CD1-CB 3.98Å; L71-F107 HydrophobicContact CD1-CD2 3.66Å; L71-F107 HydrophobicContact CD1-CE2 4.4Å; L71-F107 HydrophobicContact CD1-CG 3.8Å; L71-F107 HydrophobicContact CD2-CB 4.17Å; L71-F107 HydrophobicContact CD2-CG 4.38Å; L103-F107 VanDerWaalsContact O-CB 3.29Å; L103-F107 WeakPolarHBondContact O-CB 3.4Å; L103-F107 PolarHBondContact O-N 2.83Å; L104-F107 PolarHBondContact O-N 3.22Å; E105-F107 VanDerWaalsContact C-N 3.34Å; F107-K109 VanDerWaalsContact C-N 3.35Å; F107-K109 PolarHBondContact O-N 2.96Å; F107-I110 PolarHBondContact O-N 3.03Å; F107-I110 VanDerWaalsContact O-N 3.16Å; F107-T111 VanDerWaalsContact CZ-OG1 3.32Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.41Å; F107-T111 PolarHBondContact O-N 3.48Å; F107-T111 PolarHBondContact O-OG1 3.38Å; F107-T111 VanDerWaalsContact O-OG1 3.12Å; F107-F120 HydrophobicContact CD1-CE1 4.06Å; F107-F120 AromaticContact CD1-CZ 3.71Å; F107-F120 HydrophobicContact CD1-CZ 3.71Å; F107-F120 HydrophobicContact CE1-CE1 4.1Å; F107-F120 HydrophobicContact CE1-CE2 4.08Å; F107-F120 AromaticContact CE1-CZ 3.37Å; F107-F120 HydrophobicContact CE1-CZ 3.37Å
108R90.8Very high87.2Confident42 Ų4251.3 Ų51.316%0.15828%0.275CS..Hα-helixtrans-55.3-47.4175.2-172.4-163.274.8882.5111.7L104 E105 I110 T111 V112 F120 F121 S123L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.24Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE1-CZ 3.39Å; E105-R108 IonicContact OE1-NE 3.05Å; E105-R108 PolarHBondContact OE1-NE 2.88Å; E105-R108 VanDerWaalsContact OE1-NE 3.12Å; E105-R108 IonicContact OE1-NH2 2.81Å; E105-R108 PolarHBondContact OE1-NH2 3.37Å; E105-R108 IonicContact OE2-NE 3.81Å; E105-R108 PolarHBondContact OE2-NE 3.31Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 PolarHBondContact O-N 3.46Å; R108-T111 PolarHBondContact O-N 3.1Å; R108-V112 HydrophobicContact CG-CG2 3.93Å; R108-V112 WeakPolarHBondContact O-CB 3.4Å; R108-V112 WeakPolarHBondContact O-CG2 3.39Å; R108-V112 PolarHBondContact O-N 3.3Å; R108-F120 HydrophobicContact CB-CE1 4.38Å; R108-F120 HydrophobicContact CG-CD1 4.17Å; R108-F120 HydrophobicContact CG-CE1 4.49Å; R108-F121 HydrophobicContact CB-CE2 4.22Å; R108-F121 VanDerWaalsContact CD-O 3.3Å; R108-F121 WeakPolarHBondContact CD-O 3.33Å; R108-F121 WeakPolarHBondContact CG-O 3.43Å; R108-S123 VanDerWaalsContact CZ-OG 3.24Å; R108-S123 PolarHBondContact NE-OG 3.29Å; R108-S123 PolarHBondContact NH2-OG 3.43Å
109K87.1Confident86.6Confident100 Ų10054.8 Ų54.844%0.43529%0.289SS..Iπ-helixtrans-60.8-38.1178.7-74.5174.9179.9-179.80112.6E105 D106 F107 D113E105-K109 WeakPolarHBondContact O-CG 3.31Å; E105-K109 PolarHBondContact O-N 3.26Å; E105-K109 VanDerWaalsContact OE1-CE 3.29Å; E105-K109 WeakPolarHBondContact OE1-CE 3.08Å; D106-K109 PolarHBondContact O-N 2.91Å; F107-K109 VanDerWaalsContact C-N 3.35Å; F107-K109 PolarHBondContact O-N 2.96Å; K109-D113 WeakPolarHBondContact O-CB 3.35Å; K109-D113 PolarHBondContact O-N 3.32Å; K109-D113 VanDerWaalsContact O-N 3.1Å
110I82.1Confident86.3Confident36 Ų3655.4 Ų55.419%0.18529%0.292CS..Iπ-helixtrans-68.7-45176.6-65.9168.3000110.4D106 F107 R108 K114 K115D106-I110 WeakPolarHBondContact O-CG1 3.29Å; D106-I110 PolarHBondContact O-N 2.93Å; D106-I110 VanDerWaalsContact O-N 3.11Å; F107-I110 PolarHBondContact O-N 3.03Å; F107-I110 VanDerWaalsContact O-N 3.16Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 PolarHBondContact O-N 3.46Å; I110-K114 WeakPolarHBondContact O-CB 3.35Å; I110-K114 PolarHBondContact O-N 3.02Å; I110-K115 PolarHBondContact O-N 3.14Å
111T83.1Confident86.2Confident2 Ų255.5 Ų55.51%0.01229%0.293CS..Iπ-helixtrans-73.2-47.9-174.9-59.20000112.4F107 R108 K115 G116 E117 F120F107-T111 VanDerWaalsContact CZ-OG1 3.32Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.41Å; F107-T111 PolarHBondContact O-N 3.48Å; F107-T111 PolarHBondContact O-OG1 3.38Å; F107-T111 VanDerWaalsContact O-OG1 3.12Å; R108-T111 PolarHBondContact O-N 3.1Å; T111-K115 VanDerWaalsContact O-CB 3.3Å; T111-K115 WeakPolarHBondContact O-CB 3.42Å; T111-K115 PolarHBondContact O-N 3.42Å; T111-G116 PolarHBondContact O-N 2.91Å; T111-E117 HydrophobicContact CG2-CB 3.91Å; T111-E117 HydrophobicContact CG2-CG 4.47Å; T111-E117 WeakPolarHBondContact CG2-OE2 3.31Å; T111-E117 PolarHBondContact O-N 3.07Å; T111-F120 HydrophobicContact CG2-CD1 4.28Å; T111-F120 HydrophobicContact CG2-CD2 3.94Å; T111-F120 HydrophobicContact CG2-CE1 4.48Å; T111-F120 HydrophobicContact CG2-CE2 4.18Å; T111-F120 HydrophobicContact CG2-CG 4.04Å; T111-F120 HydrophobicContact CG2-CZ 4.47Å
112V86.6Confident86.2Confident41 Ų4156.8 Ų56.825%0.24830%0.3CS..Iπ-helixtrans-78.8-55.7-178.5-1790000110.8R108 G116 F120R108-V112 HydrophobicContact CG-CG2 3.93Å; R108-V112 WeakPolarHBondContact O-CB 3.4Å; R108-V112 WeakPolarHBondContact O-CG2 3.39Å; R108-V112 PolarHBondContact O-N 3.3Å; V112-G116 WeakPolarHBondContact O-CA 3.47Å; V112-G116 PolarHBondContact O-N 3.04Å; V112-F120 HydrophobicContact CG2-CB 3.9Å; V112-F120 HydrophobicContact CG2-CD1 4.06Å; V112-F120 HydrophobicContact CG2-CG 4.35Å
113D82.8Confident86.4Confident106 Ų10656.9 Ų56.957%0.56730%0.303SS*.Iπ-helixtrans-78.2-29.8-168.1-47.6-21.8000112.9K109K109-D113 WeakPolarHBondContact O-CB 3.35Å; K109-D113 PolarHBondContact O-N 3.32Å; K109-D113 VanDerWaalsContact O-N 3.1Å
114K75.9Confident86.7Confident143 Ų14360 Ų6062%0.62232%0.317SS*.Iπ-helixtrans-101.5-38-178.4-58.5-177.1178.1171.50114.1I110I110-K114 WeakPolarHBondContact O-CB 3.35Å; I110-K114 PolarHBondContact O-N 3.02Å
115K78.3Confident86.9Confident119 Ų11961.8 Ų61.852%0.51733%0.326SS..THydrogen-bonded Turntrans-91.1-12.4177.3-58.3-177.6171.9-176.30113N40 I110 T111 E117N40-K115 PolarHBondContact OD1-NZ 3.3Å; N40-K115 VanDerWaalsContact OD1-NZ 3.1Å; I110-K115 PolarHBondContact O-N 3.14Å; T111-K115 VanDerWaalsContact O-CB 3.3Å; T111-K115 WeakPolarHBondContact O-CB 3.42Å; T111-K115 PolarHBondContact O-N 3.42Å; K115-E117 VanDerWaalsContact C-N 3.34Å
116G80.3Confident87.2Confident54 Ų5460.1 Ų60.156%0.55732%0.318SS*.  trans75.421.8177.200000113.8T111 V112 T118T111-G116 PolarHBondContact O-N 2.91Å; V112-G116 WeakPolarHBondContact O-CA 3.47Å; V112-G116 PolarHBondContact O-N 3.04Å; G116-T118 PolarHBondContact O-N 3.18Å
117E82.9Confident87.7Confident39 Ų3962.8 Ų62.818%0.18233%0.327CS..  trans-76.5126.4-177.6-158.5-176.1139.500111.5R44 T111 K115R44-E117 IonicContact CZ-OE1 2.96Å; R44-E117 IonicContact CZ-OE2 3.02Å; R44-E117 IonicContact NH1-OE1 2.84Å; R44-E117 PolarHBondContact NH1-OE1 3.36Å; R44-E117 IonicContact NH1-OE2 4Å; R44-E117 PolarHBondContact NH1-OE2 3.34Å; R44-E117 IonicContact NH2-OE1 3.53Å; R44-E117 PolarHBondContact NH2-OE1 3.3Å; R44-E117 IonicContact NH2-OE2 3.7Å; T111-E117 HydrophobicContact CG2-CB 3.91Å; T111-E117 HydrophobicContact CG2-CG 4.47Å; T111-E117 WeakPolarHBondContact CG2-OE2 3.31Å; T111-E117 PolarHBondContact O-N 3.07Å; K115-E117 VanDerWaalsContact C-N 3.34Å
118T79.1Confident88.2Confident140 Ų14063.6 Ų63.686%0.85933%0.332SS*.  trans-97.4-26.9-17552.90000113.5G116 F120G116-T118 PolarHBondContact O-N 3.18Å; T118-F120 VanDerWaalsContact C-N 3.3Å; T118-F120 PolarHBondContact O-N 3.19Å; T118-F120 VanDerWaalsContact O-N 3.17Å
119N82.2Confident88.6Confident97 Ų9761.6 Ų61.652%0.51933%0.325SS..SBendtrans-91.461.3-179.4-167.525000111.5M83M83-N119 WeakPolarHBondContact CE-OD1 3.46Å
120F88.3Confident89.1Confident15 Ų1557.9 Ų57.97%0.06631%0.309CS..SBendtrans-138.6153.7-175.4-151.8-103.5000111.1M35 F45 F107 R108 T111 V112 T118M35-F120 HydrophobicContact SD-CE2 4.21Å; M35-F120 HydrophobicContact SD-CZ 4.46Å; F45-F120 HydrophobicContact CZ-CE2 4.42Å; F107-F120 HydrophobicContact CD1-CE1 4.06Å; F107-F120 AromaticContact CD1-CZ 3.71Å; F107-F120 HydrophobicContact CD1-CZ 3.71Å; F107-F120 HydrophobicContact CE1-CE1 4.1Å; F107-F120 HydrophobicContact CE1-CE2 4.08Å; F107-F120 AromaticContact CE1-CZ 3.37Å; F107-F120 HydrophobicContact CE1-CZ 3.37Å; R108-F120 HydrophobicContact CB-CE1 4.38Å; R108-F120 HydrophobicContact CG-CD1 4.17Å; R108-F120 HydrophobicContact CG-CE1 4.49Å; T111-F120 HydrophobicContact CG2-CD1 4.28Å; T111-F120 HydrophobicContact CG2-CD2 3.94Å; T111-F120 HydrophobicContact CG2-CE1 4.48Å; T111-F120 HydrophobicContact CG2-CE2 4.18Å; T111-F120 HydrophobicContact CG2-CG 4.04Å; T111-F120 HydrophobicContact CG2-CZ 4.47Å; V112-F120 HydrophobicContact CG2-CB 3.9Å; V112-F120 HydrophobicContact CG2-CD1 4.06Å; V112-F120 HydrophobicContact CG2-CG 4.35Å; T118-F120 VanDerWaalsContact C-N 3.3Å; T118-F120 PolarHBondContact O-N 3.19Å; T118-F120 VanDerWaalsContact O-N 3.17Å
121F93.5Very high89.9Confident2 Ų263.5 Ų63.51%0.00933%0.332CS..  trans-64.9148.7-177.455.7-104.9000112.5G75 P78 M83 L104 R108 M125 I126G75-F121 WeakPolarHBondContact O-CE1 3.44Å; P78-F121 HydrophobicContact CB-CB 4.01Å; P78-F121 HydrophobicContact CB-CD1 3.95Å; P78-F121 HydrophobicContact CB-CD2 3.93Å; P78-F121 HydrophobicContact CB-CE1 4.36Å; P78-F121 HydrophobicContact CB-CE2 4.36Å; P78-F121 HydrophobicContact CB-CG 3.71Å; P78-F121 HydrophobicContact CG-CD1 4.32Å; P78-F121 HydrophobicContact CG-CD2 4.14Å; P78-F121 HydrophobicContact CG-CE1 4.23Å; P78-F121 HydrophobicContact CG-CE2 4.08Å; P78-F121 HydrophobicContact CG-CG 4.27Å; P78-F121 HydrophobicContact CG-CZ 4.11Å; M83-F121 HydrophobicContact SD-CB 4.45Å; L104-F121 HydrophobicContact CB-CE2 4.41Å; L104-F121 HydrophobicContact CD2-CZ 3.97Å; R108-F121 HydrophobicContact CB-CE2 4.22Å; R108-F121 VanDerWaalsContact CD-O 3.3Å; R108-F121 WeakPolarHBondContact CD-O 3.33Å; R108-F121 WeakPolarHBondContact CG-O 3.43Å; F121-M125 HydrophobicContact CB-CB 4.33Å; F121-M125 HydrophobicContact CB-CE 4.05Å; F121-M125 HydrophobicContact CB-SD 4.22Å; F121-I126 HydrophobicContact CD2-CD1 3.95Å; F121-I126 HydrophobicContact CD2-CG1 3.67Å; F121-I126 HydrophobicContact CE2-CD1 3.72Å; F121-I126 HydrophobicContact CE2-CG1 3.76Å
122T95.3Very high90.6Very high64 Ų6465.2 Ų65.239%0.39334%0.339SS..  trans-91.5164.7-178.570.30000112.4Q124 M125 I126T122-Q124 PolarHBondContact O-N 3.07Å; T122-Q124 PolarHBondContact OG1-N 2.96Å; T122-M125 HydrophobicContact CG2-SD 3.92Å; T122-M125 PolarHBondContact N-SD 3.35Å; T122-M125 WeakPolarHBondContact O-CB 3.3Å; T122-M125 PolarHBondContact O-N 3.41Å; T122-M125 VanDerWaalsContact O-N 3.15Å; T122-M125 WeakPolarHBondContact OG1-CG 3.43Å; T122-M125 PolarHBondContact OG1-N 3.33Å; T122-M125 PolarHBondContact OG1-SD 3.48Å; T122-M125 VanDerWaalsContact OG1-SD 3.38Å; T122-I126 PolarHBondContact O-N 3.16Å; T122-I126 VanDerWaalsContact O-N 3.1Å
123S95.9Very high91.1Very high33 Ų3363.5 Ų63.523%0.23133%0.329CS..Hα-helixtrans-58.6-29.2171.8-58.90000113.1E105 R108 K127E105-S123 VanDerWaalsContact CD-OG 3.24Å; E105-S123 PolarHBondContact OE1-OG 3.04Å; E105-S123 VanDerWaalsContact OE1-OG 3.11Å; E105-S123 WeakPolarHBondContact OE2-CB 3.02Å; E105-S123 PolarHBondContact OE2-OG 3.41Å; R108-S123 VanDerWaalsContact CZ-OG 3.24Å; R108-S123 PolarHBondContact NE-OG 3.29Å; R108-S123 PolarHBondContact NH2-OG 3.43Å; S123-K127 WeakPolarHBondContact O-CG 3.44Å; S123-K127 PolarHBondContact O-N 2.91Å
124Q97.4Very high91.9Very high92 Ų9261.9 Ų61.943%0.4332%0.32SS..Hα-helixtrans-70.4-43.4177.1-173.551.846.500110.5T122 I126 K127 D128T122-Q124 PolarHBondContact O-N 3.07Å; T122-Q124 PolarHBondContact OG1-N 2.96Å; Q124-I126 VanDerWaalsContact C-N 3.32Å; Q124-I126 PolarHBondContact O-N 3.44Å; Q124-K127 WeakPolarHBondContact O-CA 3.39Å; Q124-K127 WeakPolarHBondContact O-CB 3.27Å; Q124-K127 PolarHBondContact O-N 2.9Å; Q124-D128 WeakPolarHBondContact CG-OD2 2.97Å; Q124-D128 VanDerWaalsContact NE2-CG 3.27Å; Q124-D128 PolarHBondContact NE2-OD1 3.34Å; Q124-D128 PolarHBondContact NE2-OD2 3.04Å; Q124-D128 PolarHBondContact O-N 2.73Å
125M97.9Very high92.9Very high36 Ų3657.1 Ų57.118%0.17730%0.303CS..Hα-helixtrans-62.2-37.4176.1-66.9158.380.800112.5E82 M83 F121 T122 K127 D128 C129E82-M125 HydrophobicContact CB-CB 3.95Å; E82-M125 HydrophobicContact CB-CE 3.58Å; E82-M125 HydrophobicContact CB-CG 3.89Å; E82-M125 HydrophobicContact CG-CB 3.78Å; E82-M125 HydrophobicContact CG-CG 4.16Å; M83-M125 HydrophobicContact CB-CE 4.44Å; M83-M125 HydrophobicContact CG-CE 3.13Å; M83-M125 HydrophobicContact SD-CE 3.83Å; F121-M125 HydrophobicContact CB-CB 4.33Å; F121-M125 HydrophobicContact CB-CE 4.05Å; F121-M125 HydrophobicContact CB-SD 4.22Å; T122-M125 HydrophobicContact CG2-SD 3.92Å; T122-M125 PolarHBondContact N-SD 3.35Å; T122-M125 WeakPolarHBondContact O-CB 3.3Å; T122-M125 PolarHBondContact O-N 3.41Å; T122-M125 VanDerWaalsContact O-N 3.15Å; T122-M125 WeakPolarHBondContact OG1-CG 3.43Å; T122-M125 PolarHBondContact OG1-N 3.33Å; T122-M125 PolarHBondContact OG1-SD 3.48Å; T122-M125 VanDerWaalsContact OG1-SD 3.38Å; M125-K127 VanDerWaalsContact C-N 3.33Å; M125-K127 PolarHBondContact O-N 3.42Å; M125-D128 PolarHBondContact O-N 2.91Å; M125-C129 WeakPolarHBondContact O-CB 2.95Å; M125-C129 PolarHBondContact O-N 2.85Å
126I98Very high93.8Very high5 Ų551.7 Ų51.73%0.02628%0.28CS..Hα-helixtrans-59.1-46.6171.6-61.2169.4000110.2P78 P101 L104 E105 F121 T122 Q124 M130P78-I126 HydrophobicContact CB-CG1 4.36Å; P78-I126 HydrophobicContact CG-CG1 4.09Å; P101-I126 HydrophobicContact CB-CG2 3.91Å; L104-I126 HydrophobicContact CB-CD1 3.94Å; L104-I126 HydrophobicContact CB-CG1 4.27Å; L104-I126 HydrophobicContact CB-CG2 4.26Å; L104-I126 HydrophobicContact CD1-CG2 4.25Å; E105-I126 HydrophobicContact CB-CD1 4.35Å; F121-I126 HydrophobicContact CD2-CD1 3.95Å; F121-I126 HydrophobicContact CD2-CG1 3.67Å; F121-I126 HydrophobicContact CE2-CD1 3.72Å; F121-I126 HydrophobicContact CE2-CG1 3.76Å; T122-I126 PolarHBondContact O-N 3.16Å; T122-I126 VanDerWaalsContact O-N 3.1Å; Q124-I126 VanDerWaalsContact C-N 3.32Å; Q124-I126 PolarHBondContact O-N 3.44Å; I126-M130 WeakPolarHBondContact O-CB 3.32Å; I126-M130 VanDerWaalsContact O-CG 3.27Å; I126-M130 WeakPolarHBondContact O-CG 3.18Å; I126-M130 PolarHBondContact O-N 2.8Å
127K97.8Very high94.5Very high128 Ų12852.2 Ų52.256%0.55727%0.27SS*.Hα-helixtrans-63.5-43.3179.1-69.3173.2-175.8176.10111.9S123 Q124 M125 M130 K131S123-K127 WeakPolarHBondContact O-CG 3.44Å; S123-K127 PolarHBondContact O-N 2.91Å; Q124-K127 WeakPolarHBondContact O-CA 3.39Å; Q124-K127 WeakPolarHBondContact O-CB 3.27Å; Q124-K127 PolarHBondContact O-N 2.9Å; M125-K127 VanDerWaalsContact C-N 3.33Å; M125-K127 PolarHBondContact O-N 3.42Å; K127-M130 PolarHBondContact O-N 3.37Å; K127-K131 WeakPolarHBondContact O-CG 2.76Å; K127-K131 PolarHBondContact O-N 3.41Å; K127-K131 VanDerWaalsContact O-N 3.14Å
128D98.1Very high95.2Very high42 Ų4252.4 Ų52.423%0.22527%0.272CS..Hα-helixtrans-68.1-42.5-177.8-65.7-32.7000111.5Q124 M125 M130 K131Q124-D128 WeakPolarHBondContact CG-OD2 2.97Å; Q124-D128 VanDerWaalsContact NE2-CG 3.27Å; Q124-D128 PolarHBondContact NE2-OD1 3.34Å; Q124-D128 PolarHBondContact NE2-OD2 3.04Å; Q124-D128 PolarHBondContact O-N 2.73Å; M125-D128 PolarHBondContact O-N 2.91Å; D128-M130 VanDerWaalsContact C-N 3.33Å; D128-M130 PolarHBondContact O-N 3.08Å; D128-K131 WeakPolarHBondContact O-CB 3.48Å; D128-K131 PolarHBondContact O-N 3.49Å; D128-K131 VanDerWaalsContact O-N 3.14Å; D128-K131 WeakPolarHBondContact OD1-CE 3.34Å; D128-K131 IonicContact OD1-NZ 3.92Å; D128-K131 PolarHBondContact OD1-NZ 2.85Å
129C97.9Very high95.9Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-55.7-46.6169.2176.50000111.7E82 M125 K131 K132E82-C129 HydrophobicContact CG-CB 4.42Å; M125-C129 WeakPolarHBondContact O-CB 2.95Å; M125-C129 PolarHBondContact O-N 2.85Å; C129-K131 PolarHBondContact O-N 2.97Å; C129-K132 WeakPolarHBondContact O-CB 3.46Å; C129-K132 PolarHBondContact O-N 2.86Å; C129-K132 VanDerWaalsContact O-N 3.1Å
130M98Very high96.4Very high22 Ų2249.3 Ų49.311%0.10824%0.244CC..Hα-helixtrans-66.9-19.6-179.9-71.5-48.2-46.400114.5M92 K97 P101 I126 K127 D128 K132 V133M92-M130 HydrophobicContact CE-CE 4.49Å; M92-M130 HydrophobicContact SD-CE 4.12Å; K97-M130 HydrophobicContact CB-CE 4.36Å; K97-M130 HydrophobicContact CG-CE 3.66Å; P101-M130 HydrophobicContact CB-CG 4.02Å; P101-M130 HydrophobicContact CG-CG 4.29Å; I126-M130 WeakPolarHBondContact O-CB 3.32Å; I126-M130 VanDerWaalsContact O-CG 3.27Å; I126-M130 WeakPolarHBondContact O-CG 3.18Å; I126-M130 PolarHBondContact O-N 2.8Å; K127-M130 PolarHBondContact O-N 3.37Å; D128-M130 VanDerWaalsContact C-N 3.33Å; D128-M130 PolarHBondContact O-N 3.08Å; M130-K132 VanDerWaalsContact C-N 3.3Å; M130-V133 HydrophobicContact CE-CB 3.94Å; M130-V133 HydrophobicContact CE-CG1 4.21Å; M130-V133 HydrophobicContact CE-CG2 3.52Å; M130-V133 WeakPolarHBondContact O-CB 3.33Å; M130-V133 PolarHBondContact O-N 3.29Å; M130-V133 HydrophobicContact SD-CG2 4.16Å
131K97.8Very high96.8Very high153 Ų15351.6 Ų51.667%0.66526%0.259SS*.Hα-helixtrans-69.8-27.8173.6-69.9169.6-172.6164.80112.3K127 D128 C129 V133K127-K131 WeakPolarHBondContact O-CG 2.76Å; K127-K131 PolarHBondContact O-N 3.41Å; K127-K131 VanDerWaalsContact O-N 3.14Å; D128-K131 WeakPolarHBondContact O-CB 3.48Å; D128-K131 PolarHBondContact O-N 3.49Å; D128-K131 VanDerWaalsContact O-N 3.14Å; D128-K131 WeakPolarHBondContact OD1-CE 3.34Å; D128-K131 IonicContact OD1-NZ 3.92Å; D128-K131 PolarHBondContact OD1-NZ 2.85Å; C129-K131 PolarHBondContact O-N 2.97Å; K131-V133 PolarHBondContact O-N 2.84Å
132K98Very high96.9Very high38 Ų3852.8 Ų52.817%0.16527%0.267CS..THydrogen-bonded Turntrans-75.8-4.9178.2-59.1169179.31750112.9S81 E82 Y86 D87 I90 C129 M130S81-K132 PolarHBondContact OG-NZ 2.86Å; E82-K132 IonicContact OE1-NZ 3.54Å; E82-K132 PolarHBondContact OE1-NZ 3.07Å; E82-K132 IonicContact OE2-NZ 2.96Å; Y86-K132 PolarHBondContact O-NZ 3.07Å; D87-K132 WeakPolarHBondContact OD1-CE 3.34Å; D87-K132 IonicContact OD1-NZ 3.98Å; D87-K132 PolarHBondContact OD1-NZ 3.24Å; I90-K132 HydrophobicContact CD1-CB 4.04Å; I90-K132 HydrophobicContact CG1-CB 4.33Å; I90-K132 PolarHBondContact N-O 2.87Å; I90-K132 VanDerWaalsContact N-O 3.13Å; C129-K132 WeakPolarHBondContact O-CB 3.46Å; C129-K132 PolarHBondContact O-N 2.86Å; C129-K132 VanDerWaalsContact O-N 3.1Å; M130-K132 VanDerWaalsContact C-N 3.3Å
133V98.4Very high96.9Very high6 Ų655 Ų554%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-86121.5-171.4178.50000113.3I90 M92 K97 M130 K131I90-V133 HydrophobicContact CB-CG2 4.02Å; I90-V133 HydrophobicContact CG2-CG2 4.06Å; I90-V133 CarbonylContact O-C 3.58Å; I90-V133 WeakPolarHBondContact O-CA 3.4Å; M92-V133 HydrophobicContact CE-CB 4.34Å; M92-V133 HydrophobicContact CE-CG1 3.75Å; M92-V133 HydrophobicContact CE-CG2 3.56Å; M92-V133 HydrophobicContact CG-CG1 3.5Å; M92-V133 HydrophobicContact SD-CG1 3.74Å; M92-V133 HydrophobicContact SD-CG2 4.35Å; K97-V133 HydrophobicContact CB-CG1 4.25Å; K97-V133 HydrophobicContact CD-CB 4.34Å; K97-V133 HydrophobicContact CD-CG1 3.79Å; K97-V133 HydrophobicContact CG-CG1 3.91Å; K97-V133 PolarHBondContact NZ-O 3Å; M130-V133 HydrophobicContact CE-CB 3.94Å; M130-V133 HydrophobicContact CE-CG1 4.21Å; M130-V133 HydrophobicContact CE-CG2 3.52Å; M130-V133 WeakPolarHBondContact O-CB 3.33Å; M130-V133 PolarHBondContact O-N 3.29Å; M130-V133 HydrophobicContact SD-CG2 4.16Å; K131-V133 PolarHBondContact O-N 2.84Å
134I98.3Very high96.8Very high72 Ų7255 Ų5537%0.36927%0.272SS..EExtended strand (participates in β ladder)trans-98.3116171.8-55.1176.7000108.8P89 I90 Y91 M92P89-I134 HydrophobicContact CB-CD1 3.74Å; I90-I134 PolarHBondContact O-N 3.19Å; Y91-I134 WeakPolarHBondContact CA-O 3.33Å; Y91-I134 HydrophobicContact CD1-CB 3.83Å; Y91-I134 HydrophobicContact CD1-CG2 4Å; Y91-I134 HydrophobicContact CE1-CB 3.76Å; Y91-I134 HydrophobicContact CE1-CD1 3.95Å; Y91-I134 HydrophobicContact CE1-CG1 4.43Å; Y91-I134 HydrophobicContact CE1-CG2 3.71Å; M92-I134 PolarHBondContact N-O 3.04Å
135P97.6Very high96.5Very high42 Ų4253 Ų5327%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-77.5142.9-175.931.8-34.1000112.6M92 H94 K97M92-P135 CarbonylContact O-C 3.6Å; M92-P135 WeakPolarHBondContact O-CA 3.45Å; H94-P135 VanDerWaalsContact CE1-CB 3.46Å; H94-P135 WeakPolarHBondContact CE1-CB 3.26Å; K97-P135 HydrophobicContact CD-CB 4.18Å
136L96.8Very high96Very high5 Ų559.5 Ų59.53%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-106143.5175.3-62.3-180000112Y91 M92 T93 H94 V142 I150 A152Y91-L136 HydrophobicContact CD1-CD2 3.8Å; Y91-L136 HydrophobicContact CD1-CG 4.26Å; M92-L136 PolarHBondContact O-N 3.18Å; T93-L136 WeakPolarHBondContact CA-O 3.45Å; H94-L136 PolarHBondContact CD2-O 2.97Å; H94-L136 PolarHBondContact N-O 3.18Å; L136-V142 HydrophobicContact CD2-CB 4.22Å; L136-V142 HydrophobicContact CD2-CG2 3.65Å; L136-I150 HydrophobicContact CD1-CD1 4.12Å; L136-I150 HydrophobicContact CD2-CD1 3.95Å; L136-I150 HydrophobicContact CD2-CG1 4.38Å; L136-A152 HydrophobicContact CB-CB 4.37Å; L136-A152 HydrophobicContact CD1-CB 4.31Å
137N96.4Very high95.7Very high66 Ų6664.8 Ų64.835%0.35332%0.324SS..  trans-96.8152.8164.1-66.2-63.9000111H94 Q140H94-N137 PolarHBondContact CD2-OD1 2.94Å; H94-N137 PolarHBondContact NE2-OD1 3.43Å; N137-Q140 HydrophobicContact CB-CB 4.02Å; N137-Q140 PolarHBondContact ND2-OE1 2.86Å; N137-Q140 PolarHBondContact O-N 2.8Å
138L95.7Very high95.6Very high42 Ų4258.7 Ų58.722%0.2230%0.297CS..BIsolated β-bridgetrans-63.5138.5172.2-62.8170.8000110.3Q140 Y154 W285L138-Q140 PolarHBondContact O-N 2.57Å; L138-Y154 HydrophobicContact CD1-CD2 3.64Å; L138-Y154 HydrophobicContact CD1-CE2 4.49Å; L138-Y154 HydrophobicContact CD1-CG 4.43Å; L138-Y154 HydrophobicContact CD2-CD2 4.5Å; L138-W285 HydrophobicContact CD1-CD2 4.3Å; L138-W285 HydrophobicContact CD1-CE3 3.65Å; L138-W285 HydrophobicContact CD1-CH2 4.18Å; L138-W285 HydrophobicContact CD1-CZ3 3.61Å; L138-W285 HydrophobicContact CD2-CE3 4.41Å; L138-W285 HydrophobicContact CD2-CH2 4.09Å; L138-W285 HydrophobicContact CD2-CZ3 3.61Å; L138-W285 HydrophobicContact CG-CE3 3.97Å; L138-W285 HydrophobicContact CG-CH2 3.59Å; L138-W285 HydrophobicContact CG-CZ2 4.38Å; L138-W285 HydrophobicContact CG-CZ3 3.36Å
139H94Very high95.6Very high84 Ų8458.8 Ų58.839%0.38930%0.297SS..THydrogen-bonded Turntrans62.34.6178.1-46.9-59.5000115.5A152 Y153 W191H139-A152 PolarHBondContact N-O 3.06Å; H139-Y153 AromaticContact CE1-CD1 3.81Å; H139-Y153 AromaticContact ND1-CD1 3.62Å; H139-Y153 AromaticContact ND1-CE1 3.91Å; H139-W191 AromaticContact CE1-CE3 3.47Å; H139-W191 VanDerWaalsContact CE1-CE3 3.47Å; H139-W191 AromaticContact CE1-CZ3 3.37Å; H139-W191 WeakPolarHBondContact CE1-CZ3 3.41Å; H139-W191 AromaticContact ND1-CZ3 3.7Å
140Q93.9Very high95.6Very high88 Ų8858.9 Ų58.941%0.41130%0.297SS..  trans-79.9126.5168.6-177.41807.400109N137 L138 V142N137-Q140 HydrophobicContact CB-CB 4.02Å; N137-Q140 PolarHBondContact ND2-OE1 2.86Å; N137-Q140 PolarHBondContact O-N 2.8Å; L138-Q140 PolarHBondContact O-N 2.57Å; Q140-V142 HydrophobicContact CG-CG2 4.1Å
141T95.9Very high95.6Very high63 Ų6359.8 Ų59.839%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-83.3124.7164.3-56.50000108.3E149 I150T141-E149 HydrophobicContact CG2-CB 3.94Å; T141-E149 HydrophobicContact CG2-CG 4.31Å; T141-I150 CarbonylContact C-O 3.58Å; T141-I150 WeakPolarHBondContact CA-O 3.33Å
142V96.2Very high95.6Very high27 Ų2752.6 Ų52.616%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-109.9123174.3176.20000107.7Y91 L136 Q140 E149 I150Y91-V142 HydrophobicContact CE1-CG1 4.33Å; L136-V142 HydrophobicContact CD2-CB 4.22Å; L136-V142 HydrophobicContact CD2-CG2 3.65Å; Q140-V142 HydrophobicContact CG-CG2 4.1Å; V142-E149 WeakPolarHBondContact O-CA 3.44Å; V142-I150 HydrophobicContact CB-CD1 4.49Å; V142-I150 HydrophobicContact CB-CG1 3.89Å; V142-I150 HydrophobicContact CG1-CG1 4.46Å; V142-I150 PolarHBondContact N-O 3.25Å; V142-I150 PolarHBondContact O-N 2.78Å
143Q95.1Very high95.6Very high110 Ų11051 Ų5151%0.51426%0.262SS..EExtended strand (participates in β ladder)trans-78.3116167.8-64.1-60.2-1500107.9E149Q143-E149 PolarHBondContact NE2-OE2 2.88Å
144V92.8Very high95.6Very high35 Ų3551.9 Ų51.921%0.21227%0.265CS..SBendtrans-80.4-42.4177.3178.40000109.3Y91 L148 I150Y91-V144 HydrophobicContact CE2-CG1 4.22Å; Y91-V144 HydrophobicContact CE2-CG2 4.07Å; V144-L148 HydrophobicContact CB-CB 4.21Å; V144-L148 HydrophobicContact CB-CD2 3.84Å; V144-L148 HydrophobicContact CB-CG 3.78Å; V144-L148 WeakPolarHBondContact CB-O 3.42Å; V144-L148 HydrophobicContact CG1-CD2 3.8Å; V144-L148 HydrophobicContact CG1-CG 4.32Å; V144-L148 HydrophobicContact CG2-CD2 4.12Å; V144-L148 HydrophobicContact CG2-CG 3.96Å; V144-L148 PolarHBondContact N-O 3.01Å; V144-I150 HydrophobicContact CG2-CD1 3.8Å; V144-I150 HydrophobicContact CG2-CG1 3.93Å; V144-I150 HydrophobicContact CG2-CG2 4.06Å
145D91.2Very high95.6Very high50 Ų5048.4 Ų48.427%0.26725%0.247SC..SBendtrans-149.2-161.2170.561.738.2000110.3K27 E147 L148K27-D145 VanDerWaalsContact CE-OD2 3.23Å; K27-D145 WeakPolarHBondContact CE-OD2 3.49Å; K27-D145 IonicContact NZ-OD2 3.96Å; K27-D145 PolarHBondContact NZ-OD2 2.83Å; D145-E147 PolarHBondContact O-N 3.21Å; D145-E147 PolarHBondContact OD1-N 2.95Å; D145-L148 PolarHBondContact N-O 2.94Å; D145-L148 WeakPolarHBondContact OD1-CB 3.5Å; D145-L148 PolarHBondContact OD1-N 3.03Å
146D88Confident95.4Very high172 Ų17246.4 Ų46.492%0.9223%0.234SC*.SBendtrans-66.2-21.4-176.6-66.1-30.1000114
147E91.4Very high95.3Very high115 Ų11546.3 Ų46.354%0.53723%0.233SC..SBendtrans-121.3-30.9-174.8-63.5-174.916900113.5D145 V168 G169D145-E147 PolarHBondContact O-N 3.21Å; D145-E147 PolarHBondContact OD1-N 2.95Å; E147-V168 HydrophobicContact CB-CG1 4.09Å; E147-V168 WeakPolarHBondContact O-CA 3.28Å; E147-G169 PolarHBondContact O-N 2.9Å
148L96.4Very high95.2Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans-93.2117.2-176172.958.4000112I29 V144 D145 I150 I166 K167 V168I29-L148 HydrophobicContact CD1-CD1 3.6Å; I29-L148 HydrophobicContact CD1-CD2 3.99Å; I29-L148 HydrophobicContact CD1-CG 4.48Å; I29-L148 HydrophobicContact CG1-CD2 4.29Å; V144-L148 HydrophobicContact CB-CB 4.21Å; V144-L148 HydrophobicContact CB-CD2 3.84Å; V144-L148 HydrophobicContact CB-CG 3.78Å; V144-L148 WeakPolarHBondContact CB-O 3.42Å; V144-L148 HydrophobicContact CG1-CD2 3.8Å; V144-L148 HydrophobicContact CG1-CG 4.32Å; V144-L148 HydrophobicContact CG2-CD2 4.12Å; V144-L148 HydrophobicContact CG2-CG 3.96Å; V144-L148 PolarHBondContact N-O 3.01Å; D145-L148 PolarHBondContact N-O 2.94Å; D145-L148 WeakPolarHBondContact OD1-CB 3.5Å; D145-L148 PolarHBondContact OD1-N 3.03Å; L148-I150 HydrophobicContact CD1-CG2 4.24Å; L148-I166 HydrophobicContact CD1-CG2 3.73Å; L148-K167 WeakPolarHBondContact CA-O 3.45Å; L148-V168 HydrophobicContact CB-CG2 4.24Å; L148-V168 HydrophobicContact CD1-CG2 3.65Å; L148-V168 HydrophobicContact CG-CG2 4.49Å
149E97.3Very high95.2Very high45 Ų4541.2 Ų41.221%0.2121%0.207CC..EExtended strand (participates in β ladder)trans-117144.1169.669.9177.7-158.800112.6T141 V142 Q143 K167T141-E149 HydrophobicContact CG2-CB 3.94Å; T141-E149 HydrophobicContact CG2-CG 4.31Å; V142-E149 WeakPolarHBondContact O-CA 3.44Å; Q143-E149 PolarHBondContact NE2-OE2 2.88Å; E149-K167 HydrophobicContact CG-CB 3.73Å; E149-K167 HydrophobicContact CG-CD 4.11Å; E149-K167 HydrophobicContact CG-CG 4.39Å; E149-K167 PolarHBondContact N-O 3.21Å; E149-K167 PolarHBondContact O-N 3.08Å; E149-K167 WeakPolarHBondContact OE1-CD 3.42Å; E149-K167 IonicContact OE1-NZ 3.07Å
150I98.1Very high95.3Very high1 Ų137.2 Ų37.21%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-126.5137.8176.663.2-178.9000111I65 Y91 L136 T141 V142 V144 L148 V164 H165 I166I65-I150 HydrophobicContact CD1-CG2 3.98Å; Y91-I150 HydrophobicContact CD1-CD1 3.54Å; Y91-I150 HydrophobicContact CD2-CD1 3.85Å; Y91-I150 HydrophobicContact CE1-CD1 3.84Å; Y91-I150 HydrophobicContact CE2-CD1 4.15Å; Y91-I150 HydrophobicContact CG-CD1 3.52Å; L136-I150 HydrophobicContact CD1-CD1 4.12Å; L136-I150 HydrophobicContact CD2-CD1 3.95Å; L136-I150 HydrophobicContact CD2-CG1 4.38Å; T141-I150 CarbonylContact C-O 3.58Å; T141-I150 WeakPolarHBondContact CA-O 3.33Å; V142-I150 HydrophobicContact CB-CD1 4.49Å; V142-I150 HydrophobicContact CB-CG1 3.89Å; V142-I150 HydrophobicContact CG1-CG1 4.46Å; V142-I150 PolarHBondContact N-O 3.25Å; V142-I150 PolarHBondContact O-N 2.78Å; V144-I150 HydrophobicContact CG2-CD1 3.8Å; V144-I150 HydrophobicContact CG2-CG1 3.93Å; V144-I150 HydrophobicContact CG2-CG2 4.06Å; L148-I150 HydrophobicContact CD1-CG2 4.24Å; I150-V164 HydrophobicContact CB-CG1 4.25Å; I150-H165 CarbonylContact C-O 3.46Å; I150-H165 WeakPolarHBondContact CA-O 3.45Å; I150-I166 HydrophobicContact CG2-CG1 4.27Å
151K98.4Very high95.4Very high42 Ų4233.1 Ų33.118%0.18317%0.169CC..EExtended strand (participates in β ladder)trans-134.1121.6176.5-176.2176.8178.7-172.70110.7Y153 H165 D193K151-Y153 HydrophobicContact CB-CE2 4.35Å; K151-Y153 HydrophobicContact CD-CE1 4.47Å; K151-Y153 HydrophobicContact CD-CE2 4.01Å; K151-Y153 WeakPolarHBondContact CD-OH 3.29Å; K151-Y153 WeakPolarHBondContact CE-OH 3.46Å; K151-Y153 HydrophobicContact CG-CE2 3.96Å; K151-Y153 PolarHBondContact NZ-OH 2.98Å; K151-H165 HydrophobicContact CB-CB 4.49Å; K151-H165 PolarHBondContact N-O 2.92Å; K151-H165 PolarHBondContact O-N 3.41Å; K151-D193 IonicContact NZ-OD2 3.28Å; K151-D193 PolarHBondContact NZ-OD2 3.1Å
152A98.2Very high95.5Very high1 Ų130.2 Ų30.21%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-86.3138.417800000111.9L136 H139 A162 M163L136-A152 HydrophobicContact CB-CB 4.37Å; L136-A152 HydrophobicContact CD1-CB 4.31Å; H139-A152 PolarHBondContact N-O 3.06Å; A152-A162 HydrophobicContact CB-CB 4.14Å; A152-M163 CarbonylContact C-O 3.59Å; A152-M163 WeakPolarHBondContact CA-O 3.45Å
153Y98.3Very high95.7Very high4 Ų429 Ų292%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-122153.6176.6-71.4-83.1000110.4H139 K151 A155 A162 M163 H165 W191 I192 D193H139-Y153 AromaticContact CE1-CD1 3.81Å; H139-Y153 AromaticContact ND1-CD1 3.62Å; H139-Y153 AromaticContact ND1-CE1 3.91Å; K151-Y153 HydrophobicContact CB-CE2 4.35Å; K151-Y153 HydrophobicContact CD-CE1 4.47Å; K151-Y153 HydrophobicContact CD-CE2 4.01Å; K151-Y153 WeakPolarHBondContact CD-OH 3.29Å; K151-Y153 WeakPolarHBondContact CE-OH 3.46Å; K151-Y153 HydrophobicContact CG-CE2 3.96Å; K151-Y153 PolarHBondContact NZ-OH 2.98Å; Y153-A155 PolarHBondContact O-N 3.07Å; Y153-A162 CarbonylContact O-C 3.58Å; Y153-A162 WeakPolarHBondContact O-CA 3.22Å; Y153-A162 WeakPolarHBondContact O-CB 3.44Å; Y153-M163 PolarHBondContact N-O 3.34Å; Y153-M163 PolarHBondContact O-N 3.27Å; Y153-H165 HydrophobicContact CD2-CB 4.2Å; Y153-H165 HydrophobicContact CE2-CB 3.66Å; Y153-W191 WeakPolarHBondContact CB-O 3.31Å; Y153-W191 HydrophobicContact CD1-CE3 4.17Å; Y153-W191 HydrophobicContact CD1-CZ3 4.06Å; Y153-W191 HydrophobicContact CE1-CZ3 4.08Å; Y153-I192 HydrophobicContact CD1-CB 4.33Å; Y153-I192 HydrophobicContact CD1-CG1 3.99Å; Y153-I192 HydrophobicContact CD2-CD1 4.11Å; Y153-I192 HydrophobicContact CD2-CG1 3.84Å; Y153-I192 HydrophobicContact CE1-CG1 4.12Å; Y153-I192 HydrophobicContact CE2-CD1 4.37Å; Y153-I192 HydrophobicContact CE2-CG1 3.97Å; Y153-I192 HydrophobicContact CG-CB 4.34Å; Y153-I192 HydrophobicContact CG-CD1 4.45Å; Y153-I192 HydrophobicContact CG-CG1 3.84Å; Y153-D193 HydrophobicContact CE1-CB 4.04Å; Y153-D193 WeakPolarHBondContact CE1-OD2 3.3Å; Y153-D193 VanDerWaalsContact CZ-OD2 3.3Å; Y153-D193 WeakPolarHBondContact OH-CB 3.14Å; Y153-D193 PolarHBondContact OH-OD2 3.45Å
154Y97.4Very high95.8Very high25 Ų2523.9 Ų23.910%0.09812%0.12CC..EExtended strand (participates in β ladder)trans-73.4124.8-176-171.3-101.5000111.2L138 G156 M163 L187 G188 A189 A190 W191 W285L138-Y154 HydrophobicContact CD1-CD2 3.64Å; L138-Y154 HydrophobicContact CD1-CE2 4.49Å; L138-Y154 HydrophobicContact CD1-CG 4.43Å; L138-Y154 HydrophobicContact CD2-CD2 4.5Å; Y154-G156 VanDerWaalsContact CE1-CA 3.49Å; Y154-M163 WeakPolarHBondContact O-CE 3.35Å; Y154-L187 WeakPolarHBondContact OH-CB 3.31Å; Y154-L187 VanDerWaalsContact OH-CD2 3.26Å; Y154-L187 WeakPolarHBondContact OH-CD2 3.11Å; Y154-G188 PolarHBondContact OH-N 2.82Å; Y154-A189 WeakPolarHBondContact CD1-O 3.35Å; Y154-A190 WeakPolarHBondContact O-CA 3.22Å; Y154-W191 PolarHBondContact O-N 2.89Å; Y154-W285 WeakPolarHBondContact CE2-O 3.37Å; Y154-W285 PolarHBondContact OH-O 2.59Å; Y154-W285 VanDerWaalsContact OH-O 3.09Å
155A97.6Very high96.1Very high0 Ų023.2 Ų23.20%012%0.115CC..  trans-95.7-15.7-178.200000114.5Y153 H157 A161 M163 Y179 N180 A190Y153-A155 PolarHBondContact O-N 3.07Å; A155-H157 PolarHBondContact O-N 3.47Å; A155-A161 HydrophobicContact CB-CB 3.93Å; A155-A161 WeakPolarHBondContact CB-O 3.23Å; A155-A161 PolarHBondContact N-O 2.64Å; A155-A161 VanDerWaalsContact N-O 3.13Å; A155-M163 HydrophobicContact CB-CG 3.97Å; A155-Y179 CarbonylContact O-C 3.59Å; A155-Y179 WeakPolarHBondContact O-CA 3.15Å; A155-Y179 WeakPolarHBondContact O-CB 3.27Å; A155-N180 PolarHBondContact O-N 2.89Å; A155-A190 WeakPolarHBondContact O-CB 3.3Å
156G94.3Very high96.5Very high0 Ų020.9 Ų20.90%010%0.102CC..SBendtrans64.78176.400000116.6Y154 N180 G188Y154-G156 VanDerWaalsContact CE1-CA 3.49Å; G156-N180 WeakPolarHBondContact O-CB 3.42Å; G156-G188 WeakPolarHBondContact CA-O 3.12Å
157H94.9Very high96.9Very high2 Ų216.1 Ų16.11%0.0097%0.074CC..SBendtrans-84.4-64.2-177.7174.670.4000113.1H68 H70 A155 A161 D178 A391 H392H68-H157 AromaticContact CD2-CD2 3.79Å; H68-H157 AromaticContact NE2-CD2 3.69Å; H68-H157 AromaticContact NE2-NE2 3.65Å; H70-H157 AromaticContact CE1-NE2 3.15Å; H70-H157 PolarHBondContact CE1-NE2 3.01Å; H70-H157 AromaticContact ND1-NE2 3.19Å; H70-H157 PolarHBondContact ND1-NE2 3.16Å; H70-H157 VanDerWaalsContact ND1-NE2 3.19Å; A155-H157 PolarHBondContact O-N 3.47Å; H157-A161 HydrophobicContact CB-CB 4.04Å; H157-D178 HydrophobicContact CB-CB 4.39Å; H157-D178 VanDerWaalsContact CB-O 3.23Å; H157-D178 WeakPolarHBondContact CB-O 3.5Å; H157-D178 IonicContact CE1-OD2 3.43Å; H157-D178 IonicContact NE2-OD2 3.71Å; H157-A391 WeakPolarHBondContact ND1-CB 3.36Å; H157-A391 PolarHBondContact ND1-O 3.27Å; H157-H392 AromaticContact CE1-CD2 3.79Å; H157-H392 AromaticContact CE1-CE1 3.77Å; H157-H392 AromaticContact CE1-NE2 3.6Å
158V94.8Very high97.1Very high2 Ų210.8 Ų10.81%0.0125%0.049CC..SBendtrans-130.3170170.8-65.30000110.8H68 F69 H70 G160 A161 L187H68-V158 HydrophobicContact CB-CG2 3.94Å; F69-V158 HydrophobicContact CD1-CG2 4.23Å; F69-V158 HydrophobicContact CE1-CB 4.07Å; F69-V158 HydrophobicContact CE1-CG2 3.72Å; F69-V158 HydrophobicContact CE2-CB 4.26Å; F69-V158 HydrophobicContact CE2-CG2 4.03Å; F69-V158 HydrophobicContact CZ-CB 3.64Å; F69-V158 HydrophobicContact CZ-CG1 4.27Å; F69-V158 HydrophobicContact CZ-CG2 3.61Å; H70-V158 VanDerWaalsContact CE1-CG1 3.4Å; H70-V158 WeakPolarHBondContact CE1-CG1 3.19Å; V158-G160 PolarHBondContact O-N 3.42Å; V158-G160 VanDerWaalsContact O-N 3.08Å; V158-A161 HydrophobicContact CG2-CB 3.9Å; V158-A161 WeakPolarHBondContact O-CB 3.4Å; V158-A161 PolarHBondContact O-N 2.9Å; V158-L187 VanDerWaalsContact C-CD1 3.49Å
159L94.4Very high96.7Very high0 Ų013.2 Ų13.20%07%0.074CC..THydrogen-bonded Turntrans-58.1114.8-179.6-176.766.5000111F69 P95 I99 L187 Y279 F282 W285 T286F69-L159 HydrophobicContact CE1-CB 4.46Å; F69-L159 WeakPolarHBondContact CE1-O 3.23Å; P95-L159 HydrophobicContact CB-CG 4.16Å; I99-L159 HydrophobicContact CD1-CD2 4.2Å; L159-L187 HydrophobicContact CD1-CD2 4.34Å; L159-Y279 HydrophobicContact CB-CE1 3.89Å; L159-Y279 HydrophobicContact CD1-CD1 4.21Å; L159-Y279 HydrophobicContact CD1-CE1 4.11Å; L159-Y279 HydrophobicContact CD2-CD1 3.84Å; L159-Y279 HydrophobicContact CD2-CD2 4.34Å; L159-Y279 HydrophobicContact CD2-CE1 3.96Å; L159-Y279 HydrophobicContact CD2-CE2 4.45Å; L159-Y279 HydrophobicContact CD2-CG 4.05Å; L159-Y279 HydrophobicContact CG-CD1 4.45Å; L159-Y279 HydrophobicContact CG-CE1 4.22Å; L159-F282 HydrophobicContact CD1-CB 4.31Å; L159-F282 HydrophobicContact CD2-CB 4.2Å; L159-F282 HydrophobicContact CG-CB 4.47Å; L159-W285 HydrophobicContact CD1-CB 3.77Å; L159-T286 HydrophobicContact CD1-CG2 4.34Å
160G95.8Very high96.2Very high0 Ų013.7 Ų13.70%08%0.082CC..THydrogen-bonded Turntrans86.1-1-177.700000115.4T93 T96 V158 A162T93-G160 WeakPolarHBondContact CB-O 3.38Å; T93-G160 VanDerWaalsContact CG2-O 3.25Å; T93-G160 WeakPolarHBondContact CG2-O 3.4Å; T93-G160 PolarHBondContact OG1-O 2.99Å; T96-G160 PolarHBondContact OG1-O 2.91Å; V158-G160 PolarHBondContact O-N 3.42Å; V158-G160 VanDerWaalsContact O-N 3.08Å; G160-A162 PolarHBondContact O-N 3.21Å
161A97.7Very high96Very high1 Ų114.2 Ų14.21%0.0089%0.085CC..  trans-59.7134.4172.900000110.8H68 A155 H157 V158H68-A161 HydrophobicContact CB-CB 3.75Å; A155-A161 HydrophobicContact CB-CB 3.93Å; A155-A161 WeakPolarHBondContact CB-O 3.23Å; A155-A161 PolarHBondContact N-O 2.64Å; A155-A161 VanDerWaalsContact N-O 3.13Å; H157-A161 HydrophobicContact CB-CB 4.04Å; V158-A161 HydrophobicContact CG2-CB 3.9Å; V158-A161 WeakPolarHBondContact O-CB 3.4Å; V158-A161 PolarHBondContact O-N 2.9Å
162A98.3Very high95.9Very high3 Ų312.8 Ų12.83%0.0258%0.08CC..EExtended strand (participates in β ladder)trans-135.5141.5-178.900000113.1S67 T93 A152 Y153 G160S67-A162 PolarHBondContact O-N 3.12Å; T93-A162 HydrophobicContact CG2-CB 3.57Å; A152-A162 HydrophobicContact CB-CB 4.14Å; Y153-A162 CarbonylContact O-C 3.58Å; Y153-A162 WeakPolarHBondContact O-CA 3.22Å; Y153-A162 WeakPolarHBondContact O-CB 3.44Å; G160-A162 PolarHBondContact O-N 3.21Å
163M98.7Very high96Very high0 Ų012.7 Ų12.70%08%0.079CC..EExtended strand (participates in β ladder)trans-84.9142.9160.6-51.2179.4-72.500107.3A152 Y153 Y154 A155 Y175 T176 A190 W191 I192 L401A152-M163 CarbonylContact C-O 3.59Å; A152-M163 WeakPolarHBondContact CA-O 3.45Å; Y153-M163 PolarHBondContact N-O 3.34Å; Y153-M163 PolarHBondContact O-N 3.27Å; Y154-M163 WeakPolarHBondContact O-CE 3.35Å; A155-M163 HydrophobicContact CB-CG 3.97Å; M163-Y175 CarbonylContact C-O 3.48Å; M163-Y175 VanDerWaalsContact CA-O 3.3Å; M163-Y175 WeakPolarHBondContact CA-O 3.22Å; M163-T176 HydrophobicContact CG-CG2 4.38Å; M163-T176 HydrophobicContact SD-CG2 4.11Å; M163-A190 HydrophobicContact CE-CB 4.14Å; M163-W191 WeakPolarHBondContact CE-O 3.39Å; M163-I192 HydrophobicContact CE-CB 3.89Å; M163-L401 HydrophobicContact CE-CD1 4.18Å; M163-L401 HydrophobicContact SD-CD1 3.94Å; M163-L401 HydrophobicContact SD-CD2 3.81Å
164V98.6Very high96Very high3 Ų312.5 Ų12.52%0.0188%0.079CC..EExtended strand (participates in β ladder)trans-122.4122.4-176.6-171.70000109.6I65 I150 I166 V174 Y175I65-V164 HydrophobicContact CD1-CG1 4.22Å; I65-V164 HydrophobicContact CG2-CB 4.2Å; I65-V164 HydrophobicContact CG2-CG1 4.17Å; I65-V164 HydrophobicContact CG2-CG2 3.75Å; I150-V164 HydrophobicContact CB-CG1 4.25Å; V164-I166 HydrophobicContact CG1-CG1 4.01Å; V164-V174 WeakPolarHBondContact O-CA 3.15Å; V164-Y175 PolarHBondContact N-O 2.94Å; V164-Y175 PolarHBondContact O-N 2.81Å
165H98.6Very high96.1Very high22 Ų2211.5 Ų11.510%0.1028%0.075CC..EExtended strand (participates in β ladder)trans-89.9124.7168.7-179.7-136.4000108.4I150 K151 Y153 S172 V174I150-H165 CarbonylContact C-O 3.46Å; I150-H165 WeakPolarHBondContact CA-O 3.45Å; K151-H165 HydrophobicContact CB-CB 4.49Å; K151-H165 PolarHBondContact N-O 2.92Å; K151-H165 PolarHBondContact O-N 3.41Å; Y153-H165 HydrophobicContact CD2-CB 4.2Å; Y153-H165 HydrophobicContact CE2-CB 3.66Å; H165-S172 WeakPolarHBondContact NE2-CB 3.43Å; H165-S172 PolarHBondContact NE2-OG 3.17Å; H165-V174 HydrophobicContact CB-CG2 4.03Å
166I98.5Very high96.1Very high0 Ų011.5 Ų11.50%08%0.075CC..EExtended strand (participates in β ladder)trans-120.2125.8-174.2-60.2165000106I29 L31 I65 L148 I150 V164 S172 V173I29-I166 HydrophobicContact CD1-CG2 3.4Å; I29-I166 HydrophobicContact CG2-CD1 4.29Å; L31-I166 HydrophobicContact CD2-CD1 3.46Å; L31-I166 VanDerWaalsContact CD2-CD1 3.46Å; I65-I166 HydrophobicContact CD1-CD1 3.81Å; I65-I166 HydrophobicContact CD1-CG1 4Å; L148-I166 HydrophobicContact CD1-CG2 3.73Å; I150-I166 HydrophobicContact CG2-CG1 4.27Å; V164-I166 HydrophobicContact CG1-CG1 4.01Å; I166-S172 CarbonylContact O-C 3.57Å; I166-S172 WeakPolarHBondContact O-CA 3.39Å; I166-S172 VanDerWaalsContact O-CB 3.31Å; I166-S172 WeakPolarHBondContact O-CB 3.47Å; I166-V173 PolarHBondContact N-O 2.93Å; I166-V173 PolarHBondContact O-N 3.26Å
167K97Very high96.3Very high73 Ų7311.6 Ų11.632%0.3178%0.076SC..EExtended strand (participates in β ladder)trans-132.9132.9-179.2-178.4-166.1-178.6-171.20109.6L148 E149 G169 E171L148-K167 WeakPolarHBondContact CA-O 3.45Å; E149-K167 HydrophobicContact CG-CB 3.73Å; E149-K167 HydrophobicContact CG-CD 4.11Å; E149-K167 HydrophobicContact CG-CG 4.39Å; E149-K167 PolarHBondContact N-O 3.21Å; E149-K167 PolarHBondContact O-N 3.08Å; E149-K167 WeakPolarHBondContact OE1-CD 3.42Å; E149-K167 IonicContact OE1-NZ 3.07Å; K167-G169 WeakPolarHBondContact CE-O 3.44Å; K167-E171 VanDerWaalsContact CA-O 3.31Å; K167-E171 WeakPolarHBondContact CA-O 3.47Å; K167-E171 VanDerWaalsContact CG-O 3.3Å; K167-E171 WeakPolarHBondContact CG-O 3.4Å
168V95.4Very high96.4Very high3 Ų311.5 Ų11.52%0.0188%0.075CC..EExtended strand (participates in β ladder)trans-126.7114.1173.1-172.60000107.5I24 K27 E147 L148 S170 E171I24-V168 HydrophobicContact CG1-CB 4.14Å; I24-V168 HydrophobicContact CG1-CG2 4.25Å; I24-V168 HydrophobicContact CG2-CG2 3.84Å; K27-V168 HydrophobicContact CB-CG2 4.28Å; K27-V168 HydrophobicContact CG-CG1 3.94Å; K27-V168 HydrophobicContact CG-CG2 4.1Å; E147-V168 HydrophobicContact CB-CG1 4.09Å; E147-V168 WeakPolarHBondContact O-CA 3.28Å; L148-V168 HydrophobicContact CB-CG2 4.24Å; L148-V168 HydrophobicContact CD1-CG2 3.65Å; L148-V168 HydrophobicContact CG-CG2 4.49Å; V168-S170 PolarHBondContact O-N 2.96Å; V168-S170 VanDerWaalsContact O-N 3.14Å; V168-E171 PolarHBondContact N-O 3.31Å; V168-E171 PolarHBondContact O-N 2.79Å
169G88.7Confident96.5Very high51 Ų5111.4 Ų11.453%0.5268%0.075SC..THydrogen-bonded Turntrans58.3-116.7-173.600000112.2E147 K167E147-G169 PolarHBondContact O-N 2.9Å; K167-G169 WeakPolarHBondContact CE-O 3.44Å
170S87.4Confident96.6Very high55 Ų5511.7 Ų11.739%0.3858%0.076SC..THydrogen-bonded Turntrans-95.7-9.4177.766.40000114.4V168V168-S170 PolarHBondContact O-N 2.96Å; V168-S170 VanDerWaalsContact O-N 3.14Å
171E93.6Very high96.5Very high12 Ų1212.1 Ų12.16%0.0568%0.078CC..EExtended strand (participates in β ladder)trans-90.6144.9-175.9-60-178.5108.600110.2I4 I24 G25 K167 V168 D198 T448I4-E171 HydrophobicContact CD1-CB 4.28Å; I24-E171 HydrophobicContact CD1-CB 3.61Å; I24-E171 HydrophobicContact CG1-CB 3.78Å; G25-E171 WeakPolarHBondContact CA-OE2 3.31Å; G25-E171 PolarHBondContact N-OE2 2.95Å; G25-E171 VanDerWaalsContact N-OE2 3.1Å; K167-E171 VanDerWaalsContact CA-O 3.31Å; K167-E171 WeakPolarHBondContact CA-O 3.47Å; K167-E171 VanDerWaalsContact CG-O 3.3Å; K167-E171 WeakPolarHBondContact CG-O 3.4Å; V168-E171 PolarHBondContact N-O 3.31Å; V168-E171 PolarHBondContact O-N 2.79Å; E171-D198 VanDerWaalsContact CA-OD2 3.3Å; E171-D198 WeakPolarHBondContact CA-OD2 3.46Å; E171-T448 HydrophobicContact CG-CG2 4.26Å; E171-T448 WeakPolarHBondContact OE1-CB 3.34Å; E171-T448 VanDerWaalsContact OE1-CG2 3.31Å; E171-T448 WeakPolarHBondContact OE1-CG2 3.49Å; E171-T448 PolarHBondContact OE1-OG1 3.16Å
172S96.7Very high96.3Very high11 Ų1114.9 Ų14.98%0.07710%0.095CC..EExtended strand (participates in β ladder)trans-146.7149.1172.879.10000116.1H165 I166 P197 D198 I199H165-S172 WeakPolarHBondContact NE2-CB 3.43Å; H165-S172 PolarHBondContact NE2-OG 3.17Å; I166-S172 CarbonylContact O-C 3.57Å; I166-S172 WeakPolarHBondContact O-CA 3.39Å; I166-S172 VanDerWaalsContact O-CB 3.31Å; I166-S172 WeakPolarHBondContact O-CB 3.47Å; S172-P197 WeakPolarHBondContact OG-CA 3.46Å; S172-D198 PolarHBondContact N-OD2 3.01Å; S172-D198 WeakPolarHBondContact O-CB 3.44Å; S172-D198 PolarHBondContact O-N 3.47Å; S172-I199 PolarHBondContact O-N 3.5Å
173V98.5Very high95.9Very high0 Ų018.1 Ų18.10%012%0.116CC..EExtended strand (participates in β ladder)trans-124.9140176.4176.50000109I4 V22 I24 I166 I199 I201I4-V173 HydrophobicContact CD1-CG2 4.04Å; I4-V173 HydrophobicContact CG2-CG2 3.87Å; V22-V173 HydrophobicContact CG1-CG2 4.12Å; I24-V173 HydrophobicContact CD1-CG2 3.96Å; I166-V173 PolarHBondContact N-O 2.93Å; I166-V173 PolarHBondContact O-N 3.26Å; V173-I199 CarbonylContact C-O 3.47Å; V173-I199 WeakPolarHBondContact CA-O 3.38Å; V173-I199 HydrophobicContact CG2-CB 4.27Å; V173-I201 HydrophobicContact CG1-CD1 3.61Å; V173-I201 HydrophobicContact CG1-CG1 3.99Å
174V98.9Very high95.5Very high0 Ų018.7 Ų18.70%012%0.119CC..EExtended strand (participates in β ladder)trans-110.3126.3165173.80000108.7V164 H165 I192 P197 I199 L200 I201V164-V174 WeakPolarHBondContact O-CA 3.15Å; H165-V174 HydrophobicContact CB-CG2 4.03Å; V174-I192 HydrophobicContact CB-CD1 4.42Å; V174-I192 HydrophobicContact CG1-CD1 3.63Å; V174-I192 HydrophobicContact CG2-CD1 3.91Å; V174-P197 HydrophobicContact CB-CB 4.49Å; V174-P197 HydrophobicContact CB-CG 4.22Å; V174-P197 HydrophobicContact CG2-CB 3.87Å; V174-P197 HydrophobicContact CG2-CG 3.75Å; V174-I199 PolarHBondContact N-O 3.04Å; V174-L200 HydrophobicContact CB-CD1 3.61Å; V174-L200 HydrophobicContact CG1-CD1 3.44Å; V174-L200 VanDerWaalsContact CG1-CD1 3.44Å; V174-I201 PolarHBondContact O-N 3.01Å
175Y98.9Very high95.2Very high3 Ų321.7 Ų21.71%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-107.9124.4169.9176.8-116.5000110.3I20 L31 D32 M163 V164 I201I20-Y175 HydrophobicContact CD1-CE2 4.33Å; L31-Y175 HydrophobicContact CB-CD1 3.88Å; L31-Y175 HydrophobicContact CB-CD2 4.39Å; L31-Y175 HydrophobicContact CB-CE1 3.93Å; L31-Y175 HydrophobicContact CB-CE2 4.45Å; L31-Y175 HydrophobicContact CB-CG 4.11Å; L31-Y175 HydrophobicContact CD1-CD1 4.23Å; L31-Y175 HydrophobicContact CD1-CD2 3.89Å; L31-Y175 HydrophobicContact CD1-CG 3.67Å; L31-Y175 HydrophobicContact CD2-CD1 4.36Å; L31-Y175 HydrophobicContact CD2-CG 4.48Å; L31-Y175 HydrophobicContact CG-CD1 4.39Å; L31-Y175 HydrophobicContact CG-CG 4.31Å; D32-Y175 WeakPolarHBondContact OD2-CE1 3.39Å; D32-Y175 VanDerWaalsContact OD2-CZ 3.26Å; D32-Y175 PolarHBondContact OD2-OH 2.94Å; M163-Y175 CarbonylContact C-O 3.48Å; M163-Y175 VanDerWaalsContact CA-O 3.3Å; M163-Y175 WeakPolarHBondContact CA-O 3.22Å; V164-Y175 PolarHBondContact N-O 2.94Å; V164-Y175 PolarHBondContact O-N 2.81Å; Y175-I201 HydrophobicContact CD2-CB 4Å; Y175-I201 HydrophobicContact CD2-CG2 3.73Å; Y175-I201 HydrophobicContact CE2-CG2 4.13Å
176T98.7Very high94.8Very high0 Ų020.7 Ų20.70%013%0.125CC..  trans-85.9-26.9-173.367.40000114.2M163 Y179 L200 I201 S202 E203 L401M163-T176 HydrophobicContact CG-CG2 4.38Å; M163-T176 HydrophobicContact SD-CG2 4.11Å; T176-Y179 HydrophobicContact CG2-CD1 4.34Å; T176-Y179 HydrophobicContact CG2-CE1 4.24Å; T176-Y179 WeakPolarHBondContact OG1-CD1 3.48Å; T176-L200 HydrophobicContact CG2-CD1 3.7Å; T176-I201 PolarHBondContact N-O 3.12Å; T176-S202 WeakPolarHBondContact OG1-CA 3.36Å; T176-S202 PolarHBondContact OG1-OG 3.31Å; T176-E203 PolarHBondContact OG1-N 3.33Å; T176-L401 HydrophobicContact CG2-CD2 3.59Å
177G98.1Very high94.6Very high2 Ų220.7 Ų20.72%0.02113%0.125CC..  trans51.5-146.4-154.500000110.4
178D97.3Very high94.5Very high1 Ų117.9 Ų17.91%0.00512%0.117CC..SBendtrans-84.9138.1168.2-67.2-26.9000111.8H68 H73 H157 E203 H392 H414H68-D178 IonicContact CE1-OD2 3.35Å; H68-D178 PolarHBondContact CE1-OD2 3.49Å; H68-D178 IonicContact NE2-OD2 3.78Å; H73-D178 IonicContact CD2-OD2 3.69Å; H73-D178 IonicContact NE2-OD1 3.08Å; H73-D178 IonicContact NE2-OD2 2.76Å; H73-D178 PolarHBondContact NE2-OD2 3.37Å; H157-D178 HydrophobicContact CB-CB 4.39Å; H157-D178 VanDerWaalsContact CB-O 3.23Å; H157-D178 WeakPolarHBondContact CB-O 3.5Å; H157-D178 IonicContact CE1-OD2 3.43Å; H157-D178 IonicContact NE2-OD2 3.71Å; D178-E203 WeakPolarHBondContact CA-OE1 3.06Å; D178-E203 VanDerWaalsContact OD1-CD 3.26Å; D178-H392 IonicContact OD1-CE1 2.95Å; D178-H392 IonicContact OD1-ND1 2.76Å; D178-H392 PolarHBondContact OD1-ND1 3.04Å; D178-H392 IonicContact OD2-CE1 3.42Å; D178-H392 PolarHBondContact OD2-CE1 3.2Å; D178-H392 IonicContact OD2-ND1 3.26Å; D178-H392 PolarHBondContact OD2-ND1 2.81Å; D178-H392 IonicContact OD2-NE2 3.15Å; D178-H414 IonicContact OD1-CE1 2.89Å; D178-H414 IonicContact OD1-ND1 2.79Å
179Y97.6Very high94.5Very high0 Ų019.5 Ų19.50%013%0.13CC..  trans-144.3167.9-176.169-76.7000112.1A155 T176 M181 A190 S202 E203 H392 A393 I398 L401A155-Y179 CarbonylContact O-C 3.59Å; A155-Y179 WeakPolarHBondContact O-CA 3.15Å; A155-Y179 WeakPolarHBondContact O-CB 3.27Å; T176-Y179 HydrophobicContact CG2-CD1 4.34Å; T176-Y179 HydrophobicContact CG2-CE1 4.24Å; T176-Y179 WeakPolarHBondContact OG1-CD1 3.48Å; Y179-M181 HydrophobicContact CD2-CG 4.21Å; Y179-M181 HydrophobicContact CD2-SD 4.01Å; Y179-M181 HydrophobicContact CE2-CG 4.02Å; Y179-M181 HydrophobicContact CE2-SD 4.1Å; Y179-A190 HydrophobicContact CD2-CB 4.12Å; Y179-S202 WeakPolarHBondContact CE1-OG 3.5Å; Y179-S202 PolarHBondContact OH-OG 2.94Å; Y179-E203 HydrophobicContact CD1-CG 3.77Å; Y179-E203 HydrophobicContact CE1-CG 3.62Å; Y179-E203 PolarHBondContact N-OE1 3.05Å; Y179-H392 CarbonylContact O-C 3.59Å; Y179-H392 VanDerWaalsContact O-C 3.24Å; Y179-H392 WeakPolarHBondContact O-CA 3.43Å; Y179-A393 HydrophobicContact CD1-CB 4.3Å; Y179-A393 HydrophobicContact CD2-CB 3.9Å; Y179-A393 HydrophobicContact CE1-CB 3.94Å; Y179-A393 HydrophobicContact CE2-CB 3.5Å; Y179-A393 HydrophobicContact CG-CB 4.29Å; Y179-A393 PolarHBondContact O-N 2.85Å; Y179-I398 VanDerWaalsContact OH-CA 3.31Å; Y179-I398 WeakPolarHBondContact OH-CA 3.46Å; Y179-I398 WeakPolarHBondContact OH-CG1 3.49Å; Y179-L401 HydrophobicContact CD2-CD2 3.94Å; Y179-L401 HydrophobicContact CE1-CD2 4.14Å; Y179-L401 HydrophobicContact CE2-CB 3.84Å; Y179-L401 HydrophobicContact CE2-CD2 3.45Å; Y179-L401 VanDerWaalsContact CE2-CD2 3.45Å; Y179-L401 HydrophobicContact CE2-CG 4.18Å; Y179-L401 HydrophobicContact CG-CD2 4.44Å
180N94.9Very high94.9Very high5 Ų517.2 Ų17.23%0.02711%0.107CC..  trans-143.1118.8177.5-166.3-2.8000111.6A155 G156 T182 A189 A190 A391A155-N180 PolarHBondContact O-N 2.89Å; G156-N180 WeakPolarHBondContact O-CB 3.42Å; N180-T182 VanDerWaalsContact C-N 3.29Å; N180-T182 VanDerWaalsContact CG-O 3.28Å; N180-T182 PolarHBondContact ND2-O 2.88Å; N180-T182 VanDerWaalsContact ND2-O 3.08Å; N180-T182 PolarHBondContact O-N 3.48Å; N180-T182 PolarHBondContact OD1-N 3.05Å; N180-T182 PolarHBondContact OD1-O 2.83Å; N180-A189 CarbonylContact O-C 3.2Å; N180-A189 WeakPolarHBondContact O-CA 3.16Å; N180-A190 PolarHBondContact O-N 2.9Å; N180-A391 VanDerWaalsContact CB-O 3.31Å; N180-A391 WeakPolarHBondContact CB-O 3.07Å
181M94.8Very high95.3Very high9 Ų920.4 Ų20.44%0.04411%0.111CC..SBendtrans-79.6-10.3175.9-59.8-56.2-75.400113.5Y179 A189 A190 G397 Q400 L401 M404Y179-M181 HydrophobicContact CD2-CG 4.21Å; Y179-M181 HydrophobicContact CD2-SD 4.01Å; Y179-M181 HydrophobicContact CE2-CG 4.02Å; Y179-M181 HydrophobicContact CE2-SD 4.1Å; M181-A189 VanDerWaalsContact O-CB 3.25Å; M181-A189 WeakPolarHBondContact O-CB 3.38Å; M181-A190 HydrophobicContact SD-CB 3.52Å; M181-A190 VanDerWaalsContact SD-CB 3.52Å; M181-G397 WeakPolarHBondContact CG-O 3.32Å; M181-Q400 HydrophobicContact CE-CB 4.2Å; M181-Q400 HydrophobicContact CE-CG 3.74Å; M181-Q400 HydrophobicContact CG-CB 4.49Å; M181-L401 HydrophobicContact CE-CB 4.34Å; M181-L401 HydrophobicContact CE-CD1 4.3Å; M181-L401 HydrophobicContact SD-CB 4.11Å; M181-L401 HydrophobicContact SD-CD1 4.06Å; M181-M404 HydrophobicContact CE-CE 3.88Å; M181-M404 HydrophobicContact CE-SD 4.5Å
182T92.1Very high95.5Very high59 Ų5920 Ų2036%0.36211%0.109SC..SBendtrans-101.8123177.5-59.90000110.2N180 D184N180-T182 VanDerWaalsContact C-N 3.29Å; N180-T182 VanDerWaalsContact CG-O 3.28Å; N180-T182 PolarHBondContact ND2-O 2.88Å; N180-T182 VanDerWaalsContact ND2-O 3.08Å; N180-T182 PolarHBondContact O-N 3.48Å; N180-T182 PolarHBondContact OD1-N 3.05Å; N180-T182 PolarHBondContact OD1-O 2.83Å; T182-D184 PolarHBondContact O-N 3.14Å
183P91.8Very high95.4Very high71 Ų7121.9 Ų21.946%0.46112%0.118SC..PPolyproline II helixtrans-67.4137.4-177.527.8-33.6000112.2A189 K214P183-A189 HydrophobicContact CB-CB 4.46Å; P183-K214 PolarHBondContact O-NZ 2.9Å
184D90.3Very high95.3Very high13 Ų1327.7 Ų27.77%0.0714%0.143CC..PPolyproline II helixtrans-86.7172172-87.7-30.6000112T182 H186 L187 K214 R244 E247 N287T182-D184 PolarHBondContact O-N 3.14Å; D184-H186 PolarHBondContact O-N 2.91Å; D184-L187 CarbonylContact C-O 3.59Å; D184-L187 HydrophobicContact CB-CB 4.44Å; D184-L187 PolarHBondContact N-O 3Å; D184-K214 VanDerWaalsContact CA-NZ 3.31Å; D184-K214 IonicContact OD1-NZ 3.39Å; D184-K214 PolarHBondContact OD1-NZ 2.79Å; D184-R244 VanDerWaalsContact CG-NH1 3.32Å; D184-R244 IonicContact OD1-CZ 3.23Å; D184-R244 IonicContact OD1-NH1 2.79Å; D184-R244 PolarHBondContact OD1-NH1 2.71Å; D184-R244 IonicContact OD1-NH2 2.71Å; D184-R244 IonicContact OD2-CZ 3.71Å; D184-R244 IonicContact OD2-NH1 3.52Å; D184-R244 PolarHBondContact OD2-NH1 3.13Å; D184-R244 VanDerWaalsContact OD2-NH1 3.08Å; D184-R244 IonicContact OD2-NH2 2.67Å; D184-R244 PolarHBondContact OD2-NH2 3.04Å; D184-E247 WeakPolarHBondContact CB-OE2 3.34Å; D184-N287 PolarHBondContact O-ND2 3.09Å; D184-N287 VanDerWaalsContact O-ND2 3.1Å
185R91Very high95.1Very high66 Ų6629.2 Ų29.225%0.24915%0.154CC..SBendtrans-65.7-30.9174.3-70.4169.3172.6-82.1-5.2110.9E218 E247 I250 N287 I290R185-E218 IonicContact CZ-OE1 2.81Å; R185-E218 IonicContact CZ-OE2 3.27Å; R185-E218 IonicContact NE-OE1 3.12Å; R185-E218 PolarHBondContact NE-OE1 3.1Å; R185-E218 IonicContact NE-OE2 3.4Å; R185-E218 IonicContact NH2-OE1 3.5Å; R185-E218 PolarHBondContact NH2-OE1 2.89Å; R185-E218 IonicContact NH2-OE2 3.39Å; R185-E218 PolarHBondContact NH2-OE2 2.77Å; R185-E247 WeakPolarHBondContact CA-OE2 3.34Å; R185-E247 VanDerWaalsContact CB-OE2 3.26Å; R185-E247 WeakPolarHBondContact CB-OE2 3.32Å; R185-E247 VanDerWaalsContact CG-OE1 3.26Å; R185-E247 WeakPolarHBondContact CG-OE1 3.4Å; R185-E247 VanDerWaalsContact N-CD 3.25Å; R185-E247 PolarHBondContact N-OE1 3.33Å; R185-E247 PolarHBondContact N-OE2 3.05Å; R185-I250 HydrophobicContact CB-CG2 4.26Å; R185-N287 VanDerWaalsContact C-ND2 3.25Å; R185-N287 PolarHBondContact O-ND2 3.3Å; R185-I290 WeakPolarHBondContact O-CG1 3.35Å
186H90.4Very high95Very high1 Ų136 Ų361%0.00518%0.179CC..SBendtrans-102.3-28.8-177.968.1-68.3000114.3D184 E247 I250 Y279 T286 N287 F300D184-H186 PolarHBondContact O-N 2.91Å; H186-E247 IonicContact CE1-OE2 2.88Å; H186-E247 IonicContact CG-OE2 2.71Å; H186-E247 PolarHBondContact N-OE2 3.15Å; H186-E247 IonicContact ND1-OE2 3.3Å; H186-E247 PolarHBondContact ND1-OE2 3.15Å; H186-I250 HydrophobicContact CB-CD1 4.03Å; H186-Y279 AromaticContact CD2-CE1 3.56Å; H186-Y279 AromaticContact CD2-CZ 3.79Å; H186-Y279 PolarHBondContact CD2-OH 3.06Å; H186-Y279 PolarHBondContact NE2-OH 3.09Å; H186-T286 WeakPolarHBondContact O-CA 3.35Å; H186-T286 WeakPolarHBondContact O-CB 3.24Å; H186-N287 PolarHBondContact O-N 3.02Å; H186-N287 VanDerWaalsContact O-N 3.14Å; H186-F300 HydrophobicContact CB-CE1 4.26Å; H186-F300 HydrophobicContact CB-CZ 4.14Å
187L94.5Very high94.9Very high0 Ų036 Ų360%018%0.179CC..SBendtrans-116.8158.9-179.9-63.4171.8000112.4Y154 V158 L159 D184 N287Y154-L187 WeakPolarHBondContact OH-CB 3.31Å; Y154-L187 VanDerWaalsContact OH-CD2 3.26Å; Y154-L187 WeakPolarHBondContact OH-CD2 3.11Å; V158-L187 VanDerWaalsContact C-CD1 3.49Å; L159-L187 HydrophobicContact CD1-CD2 4.34Å; D184-L187 CarbonylContact C-O 3.59Å; D184-L187 HydrophobicContact CB-CB 4.44Å; D184-L187 PolarHBondContact N-O 3Å; L187-N287 PolarHBondContact O-ND2 2.71Å
188G94.4Very high94.9Very high14 Ų1436.5 Ų36.514%0.14418%0.181CC..  trans-80.3-179.9172.600000111.9Y154 G156Y154-G188 PolarHBondContact OH-N 2.82Å; G156-G188 WeakPolarHBondContact CA-O 3.12Å
189A95.6Very high94.9Very high36 Ų3636.5 Ų36.530%0.29818%0.181SC..  trans-78.9153.3165.900000110.4Y154 N180 M181 P183Y154-A189 WeakPolarHBondContact CD1-O 3.35Å; N180-A189 CarbonylContact O-C 3.2Å; N180-A189 WeakPolarHBondContact O-CA 3.16Å; M181-A189 VanDerWaalsContact O-CB 3.25Å; M181-A189 WeakPolarHBondContact O-CB 3.38Å; P183-A189 HydrophobicContact CB-CB 4.46Å
190A97.6Very high95Very high4 Ų436.6 Ų36.63%0.03318%0.182CC..  trans-53.7143.9166.200000111.3Y154 A155 M163 Y179 N180 M181Y154-A190 WeakPolarHBondContact O-CA 3.22Å; A155-A190 WeakPolarHBondContact O-CB 3.3Å; M163-A190 HydrophobicContact CE-CB 4.14Å; Y179-A190 HydrophobicContact CD2-CB 4.12Å; N180-A190 PolarHBondContact O-N 2.9Å; M181-A190 HydrophobicContact SD-CB 3.52Å; M181-A190 VanDerWaalsContact SD-CB 3.52Å
191W96.3Very high95.2Very high121 Ų12136.3 Ų36.346%0.45818%0.18SC..  trans-150.9133.7-179.1-176.988.7000110.6H139 Y153 Y154 M163 D193H139-W191 AromaticContact CE1-CE3 3.47Å; H139-W191 VanDerWaalsContact CE1-CE3 3.47Å; H139-W191 AromaticContact CE1-CZ3 3.37Å; H139-W191 WeakPolarHBondContact CE1-CZ3 3.41Å; H139-W191 AromaticContact ND1-CZ3 3.7Å; Y153-W191 WeakPolarHBondContact CB-O 3.31Å; Y153-W191 HydrophobicContact CD1-CE3 4.17Å; Y153-W191 HydrophobicContact CD1-CZ3 4.06Å; Y153-W191 HydrophobicContact CE1-CZ3 4.08Å; Y154-W191 PolarHBondContact O-N 2.89Å; M163-W191 WeakPolarHBondContact CE-O 3.39Å; W191-D193 WeakPolarHBondContact CH2-OD1 3.3Å
192I97.2Very high95.4Very high3 Ų335.9 Ų35.92%0.01518%0.178CC..  trans-138.5152.4178.2-167166.1000110.3Y153 M163 V174 L401 M404 A405Y153-I192 HydrophobicContact CD1-CB 4.33Å; Y153-I192 HydrophobicContact CD1-CG1 3.99Å; Y153-I192 HydrophobicContact CD2-CD1 4.11Å; Y153-I192 HydrophobicContact CD2-CG1 3.84Å; Y153-I192 HydrophobicContact CE1-CG1 4.12Å; Y153-I192 HydrophobicContact CE2-CD1 4.37Å; Y153-I192 HydrophobicContact CE2-CG1 3.97Å; Y153-I192 HydrophobicContact CG-CB 4.34Å; Y153-I192 HydrophobicContact CG-CD1 4.45Å; Y153-I192 HydrophobicContact CG-CG1 3.84Å; M163-I192 HydrophobicContact CE-CB 3.89Å; V174-I192 HydrophobicContact CB-CD1 4.42Å; V174-I192 HydrophobicContact CG1-CD1 3.63Å; V174-I192 HydrophobicContact CG2-CD1 3.91Å; I192-L401 HydrophobicContact CG2-CD1 3.67Å; I192-M404 HydrophobicContact CG2-CB 4.3Å; I192-M404 HydrophobicContact CG2-CG 3.81Å; I192-M404 HydrophobicContact CG2-SD 3.79Å; I192-M404 PolarHBondContact N-SD 3.43Å; I192-M404 VanDerWaalsContact N-SD 3.41Å; I192-M404 WeakPolarHBondContact O-CG 3.44Å; I192-A405 HydrophobicContact CG2-CB 4.18Å
193D95.5Very high95.6Very high52 Ų5233.2 Ų33.228%0.27816%0.162SC..  trans-65.8158.6169.2-66.6-38.7000110.4K151 Y153 W191 C195K151-D193 IonicContact NZ-OD2 3.28Å; K151-D193 PolarHBondContact NZ-OD2 3.1Å; Y153-D193 HydrophobicContact CE1-CB 4.04Å; Y153-D193 WeakPolarHBondContact CE1-OD2 3.3Å; Y153-D193 VanDerWaalsContact CZ-OD2 3.3Å; Y153-D193 WeakPolarHBondContact OH-CB 3.14Å; Y153-D193 PolarHBondContact OH-OD2 3.45Å; W191-D193 WeakPolarHBondContact CH2-OD1 3.3Å; D193-C195 PolarHBondContact O-N 2.84Å; D193-C195 PolarHBondContact O-SG 2.68Å; D193-C195 VanDerWaalsContact O-SG 3.35Å
194K96.3Very high95.8Very high121 Ų12129.8 Ų29.853%0.52614%0.14SC..  trans-73.166.6169-168.5175.5-175.7163.30110.7M404 E406K194-M404 WeakPolarHBondContact CA-O 3.48Å; K194-E406 WeakPolarHBondContact CE-OE1 3.2Å; K194-E406 WeakPolarHBondContact CE-OE2 3.36Å; K194-E406 IonicContact NZ-OE1 3.79Å; K194-E406 PolarHBondContact NZ-OE1 2.76Å; K194-E406 IonicContact NZ-OE2 3.55Å; K194-E406 PolarHBondContact NZ-OE2 3.49Å
195C94.3Very high95.9Very high32 Ų3229.8 Ų29.822%0.21614%0.14CC..  trans-83.1-15.4-168.949.50000114.4D193D193-C195 PolarHBondContact O-N 2.84Å; D193-C195 PolarHBondContact O-SG 2.68Å; D193-C195 VanDerWaalsContact O-SG 3.35Å
196R96.3Very high95.9Very high147 Ų14727.1 Ų27.156%0.55513%0.13SC*.  trans49.454.4178.3-64176.9169.8177.6-4.1113.7A405 E406R196-A405 VanDerWaalsContact CA-O 3.27Å; R196-A405 WeakPolarHBondContact CA-O 3.28Å; R196-A405 PolarHBondContact N-O 3.01Å; R196-E406 WeakPolarHBondContact CA-O 3.43Å; R196-E406 HydrophobicContact CG-CB 3.9Å; R196-E406 IonicContact CZ-OE2 2.95Å; R196-E406 IonicContact NE-OE2 3.93Å; R196-E406 PolarHBondContact NE-OE2 3.35Å; R196-E406 IonicContact NH2-OE2 3.46Å; R196-E406 PolarHBondContact NH2-OE2 3.14Å
197P97.1Very high95.9Very high0 Ų027.1 Ų27.10%013%0.13CC..  trans-66.9155.5-176.632.6-37000111S172 V174 I199 L200 P407 R408S172-P197 WeakPolarHBondContact OG-CA 3.46Å; V174-P197 HydrophobicContact CB-CB 4.49Å; V174-P197 HydrophobicContact CB-CG 4.22Å; V174-P197 HydrophobicContact CG2-CB 3.87Å; V174-P197 HydrophobicContact CG2-CG 3.75Å; P197-I199 VanDerWaalsContact C-N 3.28Å; P197-I199 PolarHBondContact O-N 3.24Å; P197-L200 HydrophobicContact CG-CB 4.38Å; P197-P407 HydrophobicContact CG-CB 3.96Å; P197-P407 CarbonylContact O-C 3.52Å; P197-P407 WeakPolarHBondContact O-CA 3.35Å; P197-R408 PolarHBondContact O-N 3.08Å
198D97.7Very high95.7Very high12 Ų1230.1 Ų30.16%0.06415%0.148CC..SBendtrans-64.7-37.8174.1-62.8-65000110.7I4 E171 S172 R408 N409 T448I4-D198 HydrophobicContact CD1-CB 3.62Å; E171-D198 VanDerWaalsContact CA-OD2 3.3Å; E171-D198 WeakPolarHBondContact CA-OD2 3.46Å; S172-D198 PolarHBondContact N-OD2 3.01Å; S172-D198 WeakPolarHBondContact O-CB 3.44Å; S172-D198 PolarHBondContact O-N 3.47Å; D198-R408 WeakPolarHBondContact OD1-CD 3.41Å; D198-R408 IonicContact OD1-NE 3.54Å; D198-N409 VanDerWaalsContact O-CB 3.31Å; D198-N409 WeakPolarHBondContact O-CB 3.32Å; D198-N409 PolarHBondContact O-N 2.95Å; D198-N409 PolarHBondContact O-ND2 3.01Å; D198-T448 HydrophobicContact CB-CG2 4.02Å
199I98.3Very high95.4Very high1 Ų131.9 Ų31.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-133.6131.1173.7-50.4-178.7000110.7I4 V6 S172 V173 V174 P197 I201 N409 L411 V446I4-I199 HydrophobicContact CB-CD1 3.85Å; I4-I199 HydrophobicContact CD1-CD1 4.35Å; I4-I199 HydrophobicContact CD1-CG1 4.28Å; I4-I199 HydrophobicContact CG2-CD1 3.54Å; I4-I199 HydrophobicContact CG2-CG1 4.49Å; V6-I199 HydrophobicContact CG2-CD1 4Å; S172-I199 PolarHBondContact O-N 3.5Å; V173-I199 CarbonylContact C-O 3.47Å; V173-I199 WeakPolarHBondContact CA-O 3.38Å; V173-I199 HydrophobicContact CG2-CB 4.27Å; V174-I199 PolarHBondContact N-O 3.04Å; P197-I199 VanDerWaalsContact C-N 3.28Å; P197-I199 PolarHBondContact O-N 3.24Å; I199-I201 HydrophobicContact CG2-CG1 3.87Å; I199-N409 WeakPolarHBondContact CA-O 3.38Å; I199-N409 HydrophobicContact CG1-CB 4.43Å; I199-L411 HydrophobicContact CG2-CB 4.07Å; I199-V446 HydrophobicContact CD1-CB 3.83Å; I199-V446 HydrophobicContact CD1-CG1 4.45Å; I199-V446 HydrophobicContact CD1-CG2 3.59Å; I199-V446 HydrophobicContact CG1-CB 4.29Å; I199-V446 HydrophobicContact CG1-CG1 4.37Å; I199-V446 HydrophobicContact CG1-CG2 4.15Å
200L98.8Very high95Very high1 Ų135.9 Ų35.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-104.5112.3162.7173.264.5000109.5V174 T176 P197 I402 A405 P407 N409 M410 L411V174-L200 HydrophobicContact CB-CD1 3.61Å; V174-L200 HydrophobicContact CG1-CD1 3.44Å; V174-L200 VanDerWaalsContact CG1-CD1 3.44Å; T176-L200 HydrophobicContact CG2-CD1 3.7Å; P197-L200 HydrophobicContact CG-CB 4.38Å; L200-I402 HydrophobicContact CD2-CG1 4.32Å; L200-A405 HydrophobicContact CD2-CB 4.26Å; L200-P407 HydrophobicContact CB-CB 3.57Å; L200-P407 HydrophobicContact CB-CG 3.85Å; L200-P407 HydrophobicContact CD2-CG 4Å; L200-N409 PolarHBondContact N-O 2.75Å; L200-M410 HydrophobicContact CB-SD 3.61Å; L200-M410 HydrophobicContact CD2-CE 4.15Å; L200-M410 HydrophobicContact CD2-SD 3.62Å; L200-M410 HydrophobicContact CG-CE 4.14Å; L200-M410 HydrophobicContact CG-SD 3.73Å; L200-L411 PolarHBondContact O-N 3.08Å
201I98.8Very high94.5Very high0 Ų037.2 Ų37.20%018%0.176CC..EExtended strand (participates in β ladder)trans-93114.8175.7-54.4172.9000108.3V6 I20 V22 L31 V173 V174 Y175 T176 I199 L411 V413V6-I201 HydrophobicContact CG1-CD1 3.94Å; V6-I201 HydrophobicContact CG2-CD1 4.16Å; I20-I201 HydrophobicContact CG2-CD1 4.41Å; V22-I201 HydrophobicContact CG2-CD1 3.85Å; L31-I201 HydrophobicContact CD1-CD1 4.15Å; V173-I201 HydrophobicContact CG1-CD1 3.61Å; V173-I201 HydrophobicContact CG1-CG1 3.99Å; V174-I201 PolarHBondContact O-N 3.01Å; Y175-I201 HydrophobicContact CD2-CB 4Å; Y175-I201 HydrophobicContact CD2-CG2 3.73Å; Y175-I201 HydrophobicContact CE2-CG2 4.13Å; T176-I201 PolarHBondContact N-O 3.12Å; I199-I201 HydrophobicContact CG2-CG1 3.87Å; I201-L411 CarbonylContact C-O 3.53Å; I201-L411 WeakPolarHBondContact CA-O 3.26Å; I201-L411 HydrophobicContact CG1-CB 4.25Å; I201-L411 HydrophobicContact CG2-CD2 4.04Å; I201-V413 HydrophobicContact CG2-CG1 4.06Å; I201-V413 HydrophobicContact CG2-CG2 3.88Å
202S98.4Very high93.9Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-129.1145-170.9-156.80000114T176 Y179 L411 V413T176-S202 WeakPolarHBondContact OG1-CA 3.36Å; T176-S202 PolarHBondContact OG1-OG 3.31Å; Y179-S202 WeakPolarHBondContact CE1-OG 3.5Å; Y179-S202 PolarHBondContact OH-OG 2.94Å; S202-L411 PolarHBondContact N-O 3.35Å; S202-V413 PolarHBondContact O-N 2.89Å
203E97.5Very high93.5Very high2 Ų240.5 Ų40.51%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-60.6154.8167.568.4151.2152.700111.6T176 D178 Y179 T205 H392 A393 V413 H414T176-E203 PolarHBondContact OG1-N 3.33Å; D178-E203 WeakPolarHBondContact CA-OE1 3.06Å; D178-E203 VanDerWaalsContact OD1-CD 3.26Å; Y179-E203 HydrophobicContact CD1-CG 3.77Å; Y179-E203 HydrophobicContact CE1-CG 3.62Å; Y179-E203 PolarHBondContact N-OE1 3.05Å; E203-T205 VanDerWaalsContact OE2-CB 3.31Å; E203-T205 WeakPolarHBondContact OE2-CB 3.23Å; E203-T205 PolarHBondContact OE2-OG1 2.98Å; E203-H392 IonicContact OE1-ND1 3.81Å; E203-H392 WeakPolarHBondContact OE2-CB 3.38Å; E203-H392 IonicContact OE2-CE1 2.72Å; E203-H392 IonicContact OE2-CG 2.8Å; E203-H392 IonicContact OE2-ND1 3.72Å; E203-H392 PolarHBondContact OE2-ND1 3.31Å; E203-A393 PolarHBondContact OE1-N 3.28Å; E203-V413 CarbonylContact C-O 3.52Å; E203-V413 WeakPolarHBondContact CA-O 3.39Å; E203-H414 HydrophobicContact CB-CB 4.14Å
204S96.3Very high93.1Very high0 Ų040.2 Ų40.20%020%0.204CC..  trans-137.222.9-178.458.20000113Y206 A207 V413 H414 G415 M420S204-Y206 VanDerWaalsContact C-N 3.25Å; S204-Y206 PolarHBondContact O-N 3.1Å; S204-Y206 VanDerWaalsContact O-N 3.07Å; S204-A207 VanDerWaalsContact O-CB 3.22Å; S204-A207 WeakPolarHBondContact O-CB 3.49Å; S204-A207 PolarHBondContact O-N 3.33Å; S204-V413 PolarHBondContact N-O 2.82Å; S204-V413 PolarHBondContact OG-O 2.78Å; S204-H414 CarbonylContact C-O 3.58Å; S204-H414 PolarHBondContact N-O 3.43Å; S204-H414 VanDerWaalsContact N-O 3.1Å; S204-H414 PolarHBondContact OG-O 3.1Å; S204-G415 WeakPolarHBondContact OG-CA 3.22Å; S204-M420 WeakPolarHBondContact OG-CE 3.45Å; S204-M420 WeakPolarHBondContact OG-CG 3.44Å
205T91.8Very high92.8Very high12 Ų1244.3 Ų44.37%0.07422%0.216CC..THydrogen-bonded Turntrans-49.4-41-174.5-50.70000113.7E203 H392 H414E203-T205 VanDerWaalsContact OE2-CB 3.31Å; E203-T205 WeakPolarHBondContact OE2-CB 3.23Å; E203-T205 PolarHBondContact OE2-OG1 2.98Å; T205-H392 HydrophobicContact CG2-CB 4.46Å; T205-H392 PolarHBondContact OG1-ND1 3.21Å; T205-H414 PolarHBondContact N-O 2.91Å; T205-H414 PolarHBondContact OG1-ND1 3.49Å; T205-H414 PolarHBondContact OG1-O 3.1Å
206Y90.9Very high92.7Very high11 Ų1145 Ų454%0.04322%0.221CC..BIsolated β-bridgetrans-117.938.3-179.6-72.4-89.6000112.6S204 T208 T209 Y353 Y386 S390 H392 A393 A395S204-Y206 VanDerWaalsContact C-N 3.25Å; S204-Y206 PolarHBondContact O-N 3.1Å; S204-Y206 VanDerWaalsContact O-N 3.07Å; Y206-T208 PolarHBondContact O-N 3.12Å; Y206-T208 VanDerWaalsContact O-N 3.12Å; Y206-T209 HydrophobicContact CD1-CG2 4.11Å; Y206-T209 PolarHBondContact O-N 3.02Å; Y206-Y353 WeakPolarHBondContact OH-CB 3.34Å; Y206-Y353 PolarHBondContact OH-N 2.93Å; Y206-Y386 PolarHBondContact OH-OH 3.05Å; Y206-S390 WeakPolarHBondContact CE2-OG 3.25Å; Y206-S390 VanDerWaalsContact OH-CB 3.27Å; Y206-S390 WeakPolarHBondContact OH-CB 3.23Å; Y206-S390 PolarHBondContact OH-OG 3.11Å; Y206-H392 HydrophobicContact CD2-CB 3.75Å; Y206-H392 HydrophobicContact CE2-CB 3.96Å; Y206-A393 WeakPolarHBondContact CB-O 3.18Å; Y206-A395 PolarHBondContact O-N 3.25Å
207A90.2Very high92.5Very high0 Ų040 Ų400%020%0.202CC..THydrogen-bonded Turntrans-49.9-34.7-17800000115.7S204 A395 K419 L423S204-A207 VanDerWaalsContact O-CB 3.22Å; S204-A207 WeakPolarHBondContact O-CB 3.49Å; S204-A207 PolarHBondContact O-N 3.33Å; A207-A395 VanDerWaalsContact O-CB 3.28Å; A207-A395 WeakPolarHBondContact O-CB 3.22Å; A207-K419 HydrophobicContact CB-CB 4.06Å; A207-K419 WeakPolarHBondContact CB-O 3.26Å; A207-L423 HydrophobicContact CB-CB 3.72Å; A207-L423 HydrophobicContact CB-CD2 3.77Å; A207-L423 HydrophobicContact CB-CG 4.33Å
208T91.1Very high92.3Very high63 Ų6341 Ų4139%0.38721%0.206SC..THydrogen-bonded Turntrans-100.1-6.4-179.757.20000113.6Y206 K419 F422Y206-T208 PolarHBondContact O-N 3.12Å; Y206-T208 VanDerWaalsContact O-N 3.12Å; T208-K419 HydrophobicContact CG2-CB 3.96Å; T208-K419 HydrophobicContact CG2-CG 3.93Å; T208-F422 HydrophobicContact CG2-CB 4.05Å; T208-F422 HydrophobicContact CG2-CD1 3.67Å; T208-F422 HydrophobicContact CG2-CE1 4.39Å; T208-F422 HydrophobicContact CG2-CG 3.97Å
209T88.6Confident92.2Very high52 Ų5248.2 Ų48.232%0.31923%0.233SC..  trans-99.8131.2-170.7-57.50000110.3Y206 R211 D394 A395Y206-T209 HydrophobicContact CD1-CG2 4.11Å; Y206-T209 PolarHBondContact O-N 3.02Å; T209-R211 HydrophobicContact CG2-CG 4.4Å; T209-D394 WeakPolarHBondContact O-CB 3.41Å; T209-A395 WeakPolarHBondContact O-CB 3.49Å; T209-A395 PolarHBondContact O-N 3.11Å
210I87.1Confident92Very high119 Ų11951.1 Ų51.161%0.6125%0.248SC*.  trans-109.7121.5167.5-61.6175.6000106.8A395I210-A395 HydrophobicContact CG1-CB 4.38Å
211R86.8Confident91.9Very high33 Ų3351.1 Ų51.113%0.12525%0.248CC..PPolyproline II helixtrans-84.1141.5-177.5-67.3-176.4-174138.713.8111.6T209 S388 S390 H392 D394T209-R211 HydrophobicContact CG2-CG 4.4Å; R211-S388 PolarHBondContact NE-OG 3.45Å; R211-S388 VanDerWaalsContact NE-OG 3.12Å; R211-S390 PolarHBondContact NH1-O 2.9Å; R211-S390 VanDerWaalsContact NH2-CB 3.34Å; R211-S390 PolarHBondContact NH2-OG 3.42Å; R211-S390 VanDerWaalsContact NH2-OG 3.17Å; R211-H392 PolarHBondContact NH1-O 3.42Å; R211-H392 PolarHBondContact NH2-O 2.87Å; R211-D394 WeakPolarHBondContact CB-OD2 3.49Å; R211-D394 HydrophobicContact CG-CB 4.02Å; R211-D394 PolarHBondContact N-OD2 3.35Å
212D83.9Confident91.8Very high124 Ų12452.4 Ų52.466%0.66326%0.255SS*.PPolyproline II helixtrans-59.4158.5165.5-71.6-39.9000111.9K214 R217D212-K214 PolarHBondContact O-N 2.96Å; D212-R217 HydrophobicContact CB-CG 4.24Å; D212-R217 PolarHBondContact O-NE 3.05Å; D212-R217 VanDerWaalsContact O-NE 3.13Å
213S88Confident91.8Very high68 Ų6858 Ų5848%0.47628%0.279SS..PPolyproline II helixtrans-48.6133.7174.472.90000111.2R215 C216 R217S213-R215 PolarHBondContact O-N 3.43Å; S213-R215 VanDerWaalsContact O-N 3.13Å; S213-C216 PolarHBondContact O-N 2.9Å; S213-C216 WeakPolarHBondContact OG-CB 3.47Å; S213-C216 PolarHBondContact OG-N 3.07Å; S213-C216 PolarHBondContact OG-SG 3.28Å; S213-R217 PolarHBondContact O-N 3.04Å
214K87.6Confident91.8Very high46 Ų4659.9 Ų59.920%0.229%0.287CS..Hα-helixtrans-49.8-42178.1178174.4176.1158.20112P183 D184 D212 C216 R217 E218 E247P183-K214 PolarHBondContact O-NZ 2.9Å; D184-K214 VanDerWaalsContact CA-NZ 3.31Å; D184-K214 IonicContact OD1-NZ 3.39Å; D184-K214 PolarHBondContact OD1-NZ 2.79Å; D212-K214 PolarHBondContact O-N 2.96Å; K214-C216 PolarHBondContact O-N 2.83Å; K214-R217 PolarHBondContact O-N 3.04Å; K214-E218 WeakPolarHBondContact CE-OE1 3.39Å; K214-E218 HydrophobicContact CG-CG 4.24Å; K214-E218 IonicContact NZ-OE1 3.91Å; K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 3.43Å; K214-E247 IonicContact NZ-OE1 3.56Å; K214-E247 PolarHBondContact NZ-OE1 2.79Å
215R89.9Confident91.9Very high207 Ų20759.9 Ų59.978%0.78129%0.287SS*.Hα-helixtrans-61.3-39.8-179.8-172.7177.2179.3179.7-0.9113S213 R219S213-R215 PolarHBondContact O-N 3.43Å; S213-R215 VanDerWaalsContact O-N 3.13Å; R215-R219 WeakPolarHBondContact O-CB 3.44Å; R215-R219 PolarHBondContact O-N 2.98Å; R215-R219 VanDerWaalsContact O-N 3.08Å
216C91.1Very high92.1Very high47 Ų4761.1 Ų61.132%0.31829%0.293SS..Hα-helixtrans-68.8-42.5177.9-70.70000111.3S213 K214 R219 D220S213-C216 PolarHBondContact O-N 2.9Å; S213-C216 WeakPolarHBondContact OG-CB 3.47Å; S213-C216 PolarHBondContact OG-N 3.07Å; S213-C216 PolarHBondContact OG-SG 3.28Å; K214-C216 PolarHBondContact O-N 2.83Å; C216-R219 PolarHBondContact O-N 2.98Å; C216-D220 PolarHBondContact O-N 2.79Å
217R91.5Very high92.5Very high41 Ų4164.7 Ų64.716%0.15531%0.31CS..Hα-helixtrans-62.8-45176.5-67.5-174.6-70.2111.2-2.2112.4D212 S213 K214 R219 D220 F221 S388 F389D212-R217 HydrophobicContact CB-CG 4.24Å; D212-R217 PolarHBondContact O-NE 3.05Å; D212-R217 VanDerWaalsContact O-NE 3.13Å; S213-R217 PolarHBondContact O-N 3.04Å; K214-R217 PolarHBondContact O-N 3.04Å; R217-R219 VanDerWaalsContact C-N 3.32Å; R217-R219 PolarHBondContact O-N 2.92Å; R217-D220 PolarHBondContact O-N 2.91Å; R217-F221 WeakPolarHBondContact O-CB 3.45Å; R217-F221 PolarHBondContact O-N 3.07Å; R217-S388 WeakPolarHBondContact CD-O 3.22Å; R217-S388 PolarHBondContact NH1-O 3.44Å; R217-F389 HydrophobicContact CB-CZ 4.43Å
218E94Very high92.8Very high21 Ų2164.8 Ų64.810%0.09831%0.31CS..Hα-helixtrans-60.5-42.5175.3-72.5-173.5166.400111.6R185 K214 L222 L251 F389R185-E218 IonicContact CZ-OE1 2.81Å; R185-E218 IonicContact CZ-OE2 3.27Å; R185-E218 IonicContact NE-OE1 3.12Å; R185-E218 PolarHBondContact NE-OE1 3.1Å; R185-E218 IonicContact NE-OE2 3.4Å; R185-E218 IonicContact NH2-OE1 3.5Å; R185-E218 PolarHBondContact NH2-OE1 2.89Å; R185-E218 IonicContact NH2-OE2 3.39Å; R185-E218 PolarHBondContact NH2-OE2 2.77Å; K214-E218 WeakPolarHBondContact CE-OE1 3.39Å; K214-E218 HydrophobicContact CG-CG 4.24Å; K214-E218 IonicContact NZ-OE1 3.91Å; K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 3.43Å; E218-L222 WeakPolarHBondContact O-CB 3.41Å; E218-L222 VanDerWaalsContact O-CG 3.24Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.43Å; E218-L251 HydrophobicContact CB-CD1 4.27Å; E218-L251 HydrophobicContact CB-CD2 4.15Å; E218-L251 HydrophobicContact CG-CD1 4.21Å; E218-L251 HydrophobicContact CG-CD2 3.9Å; E218-F389 HydrophobicContact CG-CE1 4.24Å
219R94.7Very high93.1Very high164 Ų16462.5 Ų62.562%0.61930%0.295SS*.Hα-helixtrans-63.1-46.4177.1-179.8-175.263.3-155.7-4.7111.8R215 C216 R217 L222 K223R215-R219 WeakPolarHBondContact O-CB 3.44Å; R215-R219 PolarHBondContact O-N 2.98Å; R215-R219 VanDerWaalsContact O-N 3.08Å; C216-R219 PolarHBondContact O-N 2.98Å; R217-R219 VanDerWaalsContact C-N 3.32Å; R217-R219 PolarHBondContact O-N 2.92Å; R219-L222 PolarHBondContact O-N 3.01Å; R219-K223 WeakPolarHBondContact O-CB 3.37Å; R219-K223 PolarHBondContact O-N 2.81Å
220D95.6Very high93.5Very high63 Ų6366.7 Ų66.734%0.33731%0.311SS..Hα-helixtrans-62.8-44179.2-17251.5000111.5C216 R217 L222 K223 K224C216-D220 PolarHBondContact O-N 2.79Å; R217-D220 PolarHBondContact O-N 2.91Å; D220-L222 PolarHBondContact O-N 2.8Å; D220-K223 WeakPolarHBondContact O-CB 3.35Å; D220-K223 PolarHBondContact O-N 2.84Å; D220-K224 WeakPolarHBondContact O-CG 3.42Å; D220-K224 PolarHBondContact O-N 3.05Å; D220-K224 WeakPolarHBondContact OD1-CE 3.03Å; D220-K224 VanDerWaalsContact OD2-CE 3.23Å; D220-K224 WeakPolarHBondContact OD2-CE 3.39Å; D220-K224 IonicContact OD2-NZ 3.62Å; D220-K224 PolarHBondContact OD2-NZ 3.29Å
221F96.6Very high93.9Very high0 Ų065 Ų650%030%0.297CS..Hα-helixtrans-55.7-53173.6174.4-102.1000112.8R217 K223 K224 V225 I237 L248 L251 L252 I349 M387 F389R217-F221 WeakPolarHBondContact O-CB 3.45Å; R217-F221 PolarHBondContact O-N 3.07Å; F221-K223 VanDerWaalsContact C-N 3.28Å; F221-K223 PolarHBondContact O-N 3Å; F221-K224 PolarHBondContact O-N 3.15Å; F221-V225 HydrophobicContact CD2-CG2 4.26Å; F221-V225 HydrophobicContact CE1-CG2 4.28Å; F221-V225 HydrophobicContact CE2-CG2 3.94Å; F221-V225 HydrophobicContact CZ-CG2 3.96Å; F221-V225 WeakPolarHBondContact O-CB 3.5Å; F221-V225 VanDerWaalsContact O-CG2 3.27Å; F221-V225 WeakPolarHBondContact O-CG2 3.31Å; F221-V225 PolarHBondContact O-N 3.29Å; F221-I237 HydrophobicContact CE2-CD1 3.98Å; F221-I237 HydrophobicContact CZ-CD1 3.8Å; F221-L248 HydrophobicContact CE1-CD2 4.26Å; F221-L248 HydrophobicContact CE2-CD2 4.39Å; F221-L248 HydrophobicContact CZ-CD2 4.12Å; F221-L251 HydrophobicContact CD1-CD2 3.62Å; F221-L251 HydrophobicContact CD1-CG 4.47Å; F221-L251 HydrophobicContact CE1-CD2 3.97Å; F221-L252 HydrophobicContact CD1-CD2 4.4Å; F221-L252 HydrophobicContact CE1-CD1 4.5Å; F221-L252 HydrophobicContact CE1-CD2 3.48Å; F221-L252 VanDerWaalsContact CE1-CD2 3.48Å; F221-L252 HydrophobicContact CE1-CG 3.89Å; F221-L252 HydrophobicContact CZ-CD1 4.35Å; F221-L252 HydrophobicContact CZ-CD2 4.06Å; F221-L252 HydrophobicContact CZ-CG 4.21Å; F221-I349 HydrophobicContact CD2-CD1 3.86Å; F221-I349 HydrophobicContact CD2-CG2 4.28Å; F221-I349 HydrophobicContact CE2-CD1 3.74Å; F221-I349 HydrophobicContact CE2-CG2 4.29Å; F221-M387 WeakPolarHBondContact CA-SD 3.08Å; F221-M387 HydrophobicContact CB-CE 4.44Å; F221-M387 HydrophobicContact CB-SD 3.57Å; F221-M387 VanDerWaalsContact CB-SD 3.57Å; F221-M387 HydrophobicContact CD2-SD 3.61Å; F221-M387 HydrophobicContact CG-SD 4.08Å; F221-F389 HydrophobicContact CB-CE2 3.67Å; F221-F389 HydrophobicContact CB-CZ 3.5Å; F221-F389 HydrophobicContact CD1-CZ 4.39Å; F221-F389 AromaticContact CD2-CE2 3.78Å; F221-F389 HydrophobicContact CD2-CE2 3.78Å; F221-F389 HydrophobicContact CD2-CZ 4.26Å; F221-F389 AromaticContact CG-CE2 3.8Å; F221-F389 HydrophobicContact CG-CE2 3.8Å; F221-F389 AromaticContact CG-CZ 3.81Å; F221-F389 HydrophobicContact CG-CZ 3.81Å
222L97.1Very high94.3Very high28 Ų2865.1 Ų65.115%0.14731%0.308CS..Hα-helixtrans-61.6-39.2-180-69.2176.3000111.8E218 R219 D220 H226 L251 L252 F255E218-L222 WeakPolarHBondContact O-CB 3.41Å; E218-L222 VanDerWaalsContact O-CG 3.24Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.43Å; R219-L222 PolarHBondContact O-N 3.01Å; D220-L222 PolarHBondContact O-N 2.8Å; L222-H226 WeakPolarHBondContact O-CB 3.49Å; L222-H226 PolarHBondContact O-N 3.1Å; L222-L251 HydrophobicContact CD1-CD1 4.05Å; L222-L251 HydrophobicContact CD1-CG 4.49Å; L222-L251 HydrophobicContact CD2-CD1 4.5Å; L222-L251 HydrophobicContact CD2-CG 4.08Å; L222-L251 HydrophobicContact CG-CD1 4.44Å; L222-L251 HydrophobicContact CG-CG 4.38Å; L222-L252 HydrophobicContact CD2-CD2 3.75Å; L222-F255 HydrophobicContact CB-CD2 4.29Å; L222-F255 HydrophobicContact CB-CE2 4.16Å; L222-F255 HydrophobicContact CB-CZ 4.31Å; L222-F255 HydrophobicContact CD1-CB 4.27Å; L222-F255 HydrophobicContact CD1-CD2 3.72Å; L222-F255 HydrophobicContact CD1-CE2 4.27Å; L222-F255 HydrophobicContact CD1-CG 4.1Å; L222-F255 HydrophobicContact CD2-CB 3.62Å; L222-F255 HydrophobicContact CD2-CD1 3.82Å; L222-F255 HydrophobicContact CD2-CD2 4.02Å; L222-F255 HydrophobicContact CD2-CE1 4.45Å; L222-F255 HydrophobicContact CD2-CG 3.56Å; L222-F255 HydrophobicContact CG-CD2 4.22Å; L222-F255 HydrophobicContact CG-CG 4.27Å
223K97.2Very high95Very high116 Ų11659.2 Ų59.250%0.50428%0.277SS..Hα-helixtrans-60-54.5176.1-178.7-177.5172.3-174.40111.2R219 D220 F221 V225 H226 E227R219-K223 WeakPolarHBondContact O-CB 3.37Å; R219-K223 PolarHBondContact O-N 2.81Å; D220-K223 WeakPolarHBondContact O-CB 3.35Å; D220-K223 PolarHBondContact O-N 2.84Å; F221-K223 VanDerWaalsContact C-N 3.28Å; F221-K223 PolarHBondContact O-N 3Å; K223-V225 VanDerWaalsContact C-N 3.35Å; K223-V225 PolarHBondContact O-N 3.34Å; K223-H226 PolarHBondContact O-N 3.35Å; K223-E227 WeakPolarHBondContact CE-OE1 3.34Å; K223-E227 HydrophobicContact CG-CG 4.36Å; K223-E227 IonicContact NZ-OE1 3.79Å; K223-E227 WeakPolarHBondContact O-CG 3.3Å; K223-E227 PolarHBondContact O-N 2.8Å
224K97.6Very high95.4Very high42 Ų4257.2 Ų57.218%0.18326%0.26CS..Hα-helixtrans-64.1-38.9-177.8-63.2-163.5-164.6146.90112.5D220 F221 T228 M347 E385 M387D220-K224 WeakPolarHBondContact O-CG 3.42Å; D220-K224 PolarHBondContact O-N 3.05Å; D220-K224 WeakPolarHBondContact OD1-CE 3.03Å; D220-K224 VanDerWaalsContact OD2-CE 3.23Å; D220-K224 WeakPolarHBondContact OD2-CE 3.39Å; D220-K224 IonicContact OD2-NZ 3.62Å; D220-K224 PolarHBondContact OD2-NZ 3.29Å; F221-K224 PolarHBondContact O-N 3.15Å; K224-T228 WeakPolarHBondContact O-CB 3.37Å; K224-T228 PolarHBondContact O-N 2.8Å; K224-T228 VanDerWaalsContact O-N 3.08Å; K224-T228 PolarHBondContact O-OG1 2.85Å; K224-M347 HydrophobicContact CB-CE 4.07Å; K224-M347 HydrophobicContact CB-SD 4.17Å; K224-M347 WeakPolarHBondContact O-CE 3.16Å; K224-E385 HydrophobicContact CD-CG 3.99Å; K224-E385 IonicContact NZ-OE2 2.6Å; K224-E385 PolarHBondContact NZ-OE2 3.4Å; K224-M387 HydrophobicContact CB-CE 4.03Å; K224-M387 HydrophobicContact CD-CE 3.35Å; K224-M387 HydrophobicContact CG-CE 3.84Å
225V97.8Very high96Very high0 Ų055 Ų550%025%0.25CS..Hα-helixtrans-60.8-48.3174.3171.70000110.3F221 K223 T228 I229 V235 L252 W256 V320 I349F221-V225 HydrophobicContact CD2-CG2 4.26Å; F221-V225 HydrophobicContact CE1-CG2 4.28Å; F221-V225 HydrophobicContact CE2-CG2 3.94Å; F221-V225 HydrophobicContact CZ-CG2 3.96Å; F221-V225 WeakPolarHBondContact O-CB 3.5Å; F221-V225 VanDerWaalsContact O-CG2 3.27Å; F221-V225 WeakPolarHBondContact O-CG2 3.31Å; F221-V225 PolarHBondContact O-N 3.29Å; K223-V225 VanDerWaalsContact C-N 3.35Å; K223-V225 PolarHBondContact O-N 3.34Å; V225-T228 PolarHBondContact O-N 2.78Å; V225-I229 HydrophobicContact CG1-CD1 3.79Å; V225-I229 WeakPolarHBondContact O-CD1 3.37Å; V225-I229 VanDerWaalsContact O-CG1 3.3Å; V225-I229 WeakPolarHBondContact O-CG1 3.14Å; V225-I229 PolarHBondContact O-N 2.83Å; V225-I229 VanDerWaalsContact O-N 3.12Å; V225-V235 HydrophobicContact CG2-CG1 4.43Å; V225-L252 HydrophobicContact CG1-CD2 4.26Å; V225-W256 HydrophobicContact CG1-CH2 3.85Å; V225-W256 HydrophobicContact CG1-CZ3 4.13Å; V225-V320 HydrophobicContact CG1-CG2 4Å; V225-I349 HydrophobicContact CG2-CD1 3.64Å
226H97.6Very high96.3Very high39 Ų3945.2 Ų45.218%0.18121%0.213CC..Hα-helixtrans-63.7-50.4-178.6-174.839.8000112.4L222 K223 T228 I229 E230 F255L222-H226 WeakPolarHBondContact O-CB 3.49Å; L222-H226 PolarHBondContact O-N 3.1Å; K223-H226 PolarHBondContact O-N 3.35Å; H226-T228 PolarHBondContact O-N 3.48Å; H226-I229 PolarHBondContact O-N 3.04Å; H226-I229 VanDerWaalsContact O-N 3.1Å; H226-E230 IonicContact CE1-OE1 2.97Å; H226-E230 PolarHBondContact CE1-OE1 3.07Å; H226-E230 VanDerWaalsContact CE1-OE1 3.27Å; H226-E230 IonicContact NE2-OE1 2.71Å; H226-E230 PolarHBondContact NE2-OE1 2.69Å; H226-E230 WeakPolarHBondContact O-CG 3.46Å; H226-E230 PolarHBondContact O-N 2.89Å; H226-F255 HydrophobicContact CB-CE1 4.14Å; H226-F255 HydrophobicContact CB-CZ 4.19Å
227E97.5Very high96.6Very high86 Ų8643 Ų4340%0.40220%0.198SC..Hα-helixtrans-58.8-35.7178.1-71.8174.416700112.2K223 R231K223-E227 WeakPolarHBondContact CE-OE1 3.34Å; K223-E227 HydrophobicContact CG-CG 4.36Å; K223-E227 IonicContact NZ-OE1 3.79Å; K223-E227 WeakPolarHBondContact O-CG 3.3Å; K223-E227 PolarHBondContact O-N 2.8Å; E227-R231 WeakPolarHBondContact O-CG 3.41Å; E227-R231 PolarHBondContact O-N 3.02Å
228T97.9Very high96.7Very high1 Ų141 Ų411%0.00619%0.191CC..Hα-helixtrans-69.8-38.1177.6-590000112.4K224 V225 H226 R231 G233 V235 M347K224-T228 WeakPolarHBondContact O-CB 3.37Å; K224-T228 PolarHBondContact O-N 2.8Å; K224-T228 VanDerWaalsContact O-N 3.08Å; K224-T228 PolarHBondContact O-OG1 2.85Å; V225-T228 PolarHBondContact O-N 2.78Å; H226-T228 PolarHBondContact O-N 3.48Å; T228-R231 WeakPolarHBondContact O-CG 3.5Å; T228-R231 PolarHBondContact OG1-NH2 3.13Å; T228-R231 VanDerWaalsContact OG1-NH2 3.14Å; T228-G233 WeakPolarHBondContact O-CA 3.47Å; T228-G233 PolarHBondContact O-N 3.27Å; T228-V235 HydrophobicContact CG2-CG2 3.49Å; T228-V235 VanDerWaalsContact CG2-CG2 3.49Å; T228-M347 HydrophobicContact CG2-CB 4.01Å; T228-M347 HydrophobicContact CG2-CE 4.42Å; T228-M347 VanDerWaalsContact OG1-CE 3.23Å; T228-M347 WeakPolarHBondContact OG1-CE 3.25Å
229I97.1Very high96.5Very high15 Ų1540.2 Ų40.28%0.07719%0.187CC..Hα-helixtrans-70.7-41.3177-69.6166.5000110.7V225 H226 R231 G232 W256 A263 P318 V320V225-I229 HydrophobicContact CG1-CD1 3.79Å; V225-I229 WeakPolarHBondContact O-CD1 3.37Å; V225-I229 VanDerWaalsContact O-CG1 3.3Å; V225-I229 WeakPolarHBondContact O-CG1 3.14Å; V225-I229 PolarHBondContact O-N 2.83Å; V225-I229 VanDerWaalsContact O-N 3.12Å; H226-I229 PolarHBondContact O-N 3.04Å; H226-I229 VanDerWaalsContact O-N 3.1Å; I229-R231 VanDerWaalsContact C-N 3.31Å; I229-R231 PolarHBondContact O-N 2.96Å; I229-G232 WeakPolarHBondContact O-CA 3.45Å; I229-G232 PolarHBondContact O-N 3.42Å; I229-W256 HydrophobicContact CD1-CH2 3.35Å; I229-W256 HydrophobicContact CD1-CZ2 3.62Å; I229-A263 HydrophobicContact CD1-CB 4.43Å; I229-A263 HydrophobicContact CG2-CB 3.53Å; I229-P318 HydrophobicContact CB-CB 4.32Å; I229-P318 HydrophobicContact CG2-CB 3.91Å; I229-P318 HydrophobicContact CG2-CG 4.17Å; I229-V320 HydrophobicContact CD1-CG2 3.51Å; I229-V320 HydrophobicContact CG1-CG2 4.24Å
230E96.3Very high96.1Very high140 Ų14036.7 Ų36.765%0.65418%0.177SC*.Hα-helixtrans-61.4-37.5179.7-75.9-163149.100112.7H226 G232H226-E230 IonicContact CE1-OE1 2.97Å; H226-E230 PolarHBondContact CE1-OE1 3.07Å; H226-E230 VanDerWaalsContact CE1-OE1 3.27Å; H226-E230 IonicContact NE2-OE1 2.71Å; H226-E230 PolarHBondContact NE2-OE1 2.69Å; H226-E230 WeakPolarHBondContact O-CG 3.46Å; H226-E230 PolarHBondContact O-N 2.89Å; E230-G232 PolarHBondContact O-N 2.85Å
231R95.8Very high95.1Very high84 Ų8434 Ų3432%0.31716%0.163SC..THydrogen-bonded Turntrans-76.65.1173.370.1-175.9-178-131.86.2114.4E227 T228 I229 K345E227-R231 WeakPolarHBondContact O-CG 3.41Å; E227-R231 PolarHBondContact O-N 3.02Å; T228-R231 WeakPolarHBondContact O-CG 3.5Å; T228-R231 PolarHBondContact OG1-NH2 3.13Å; T228-R231 VanDerWaalsContact OG1-NH2 3.14Å; I229-R231 VanDerWaalsContact C-N 3.31Å; I229-R231 PolarHBondContact O-N 2.96Å; R231-K345 PolarHBondContact NE-O 3.05Å; R231-K345 PolarHBondContact NH2-O 2.76Å; R231-K345 VanDerWaalsContact NH2-O 3.08Å
232G96.1Very high94.4Very high35 Ų3534.3 Ų34.336%0.36117%0.165SC..THydrogen-bonded Turntrans76.817.4-179.700000114.7I229 E230I229-G232 WeakPolarHBondContact O-CA 3.45Å; I229-G232 PolarHBondContact O-N 3.42Å; E230-G232 PolarHBondContact O-N 2.85Å
233G97.2Very high93.8Very high0 Ų033.1 Ų33.10%016%0.159CC..  trans-84.6163.6178.100000113.4T228 P318T228-G233 WeakPolarHBondContact O-CA 3.47Å; T228-G233 PolarHBondContact O-N 3.27Å; G233-P318 VanDerWaalsContact O-CA 3.31Å; G233-P318 WeakPolarHBondContact O-CA 3.09Å; G233-P318 VanDerWaalsContact O-CB 3.3Å; G233-P318 WeakPolarHBondContact O-CB 3.48Å
234K98.3Very high93.3Very high27 Ų2728.8 Ų28.812%0.11714%0.139CC..EExtended strand (participates in β ladder)trans-102.1140.6174.9-53.5-177.6179178.50110.5A313 N315 G317 M319 W340 N346 M347K234-A313 PolarHBondContact NZ-O 2.59Å; K234-N315 VanDerWaalsContact CE-O 3.25Å; K234-N315 WeakPolarHBondContact CE-O 3.47Å; K234-N315 PolarHBondContact NZ-O 2.96Å; K234-G317 WeakPolarHBondContact CE-O 3.34Å; K234-M319 WeakPolarHBondContact CA-O 3.48Å; K234-M319 HydrophobicContact CB-CG 4.21Å; K234-M319 HydrophobicContact CD-CE 4.28Å; K234-M319 HydrophobicContact CD-CG 4.14Å; K234-M319 HydrophobicContact CD-SD 4.25Å; K234-M319 HydrophobicContact CG-CG 4.03Å; K234-W340 HydrophobicContact CB-CD2 4.05Å; K234-W340 HydrophobicContact CB-CE3 3.72Å; K234-W340 HydrophobicContact CB-CH2 3.87Å; K234-W340 HydrophobicContact CB-CZ2 4.21Å; K234-W340 HydrophobicContact CB-CZ3 3.64Å; K234-W340 HydrophobicContact CD-CD2 3.97Å; K234-W340 VanDerWaalsContact CD-CE2 3.48Å; K234-W340 HydrophobicContact CD-CE3 4.46Å; K234-W340 HydrophobicContact CD-CG 4.48Å; K234-W340 HydrophobicContact CD-CH2 4.11Å; K234-W340 HydrophobicContact CD-CZ2 3.59Å; K234-W340 HydrophobicContact CG-CZ2 4.46Å; K234-N346 WeakPolarHBondContact CB-OD1 3.46Å; K234-N346 PolarHBondContact N-OD1 3Å; K234-N346 CarbonylContact O-C 3.48Å; K234-N346 VanDerWaalsContact O-CA 3.28Å; K234-N346 WeakPolarHBondContact O-CA 3.23Å; K234-N346 WeakPolarHBondContact O-CB 3.37Å; K234-M347 PolarHBondContact O-N 2.9Å
235V98.4Very high92.9Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-111.5118.1177.6-1750000109.7V225 T228 I237 M319 V320 V321 M347 I349V225-V235 HydrophobicContact CG2-CG1 4.43Å; T228-V235 HydrophobicContact CG2-CG2 3.49Å; T228-V235 VanDerWaalsContact CG2-CG2 3.49Å; V235-I237 HydrophobicContact CG1-CD1 4.35Å; V235-I237 HydrophobicContact CG1-CG1 3.93Å; V235-M319 PolarHBondContact N-O 3.5Å; V235-V320 HydrophobicContact CB-CG1 4.34Å; V235-V320 HydrophobicContact CB-CG2 4.24Å; V235-V320 CarbonylContact O-C 3.48Å; V235-V320 WeakPolarHBondContact O-CA 3.46Å; V235-V321 PolarHBondContact O-N 2.73Å; V235-M347 WeakPolarHBondContact CA-O 3.33Å; V235-M347 HydrophobicContact CG1-CE 3.95Å; V235-M347 HydrophobicContact CG2-CE 3.97Å; V235-I349 HydrophobicContact CG1-CD1 4.02Å; V235-I349 HydrophobicContact CG1-CG1 4.21Å
236L97.8Very high92.5Very high1 Ų126.9 Ų26.91%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-97.3129.7170.5177.761.8000109.6P238 A323 L328 I336 F337 W340 M347 V348 I349L236-P238 HydrophobicContact CD2-CG 4.4Å; L236-P238 HydrophobicContact CG-CG 4.12Å; L236-A323 HydrophobicContact CD1-CB 3.9Å; L236-L328 HydrophobicContact CD2-CD2 4.4Å; L236-I336 HydrophobicContact CD1-CB 4.17Å; L236-I336 HydrophobicContact CD1-CD1 4.36Å; L236-I336 HydrophobicContact CD1-CG2 3.87Å; L236-I336 HydrophobicContact CD2-CB 4.44Å; L236-I336 HydrophobicContact CD2-CG2 4.22Å; L236-F337 HydrophobicContact CD2-CB 3.7Å; L236-F337 HydrophobicContact CD2-CD2 4.34Å; L236-W340 HydrophobicContact CB-CE3 3.91Å; L236-W340 HydrophobicContact CB-CZ3 3.92Å; L236-M347 PolarHBondContact N-O 2.99Å; L236-V348 HydrophobicContact CB-CB 4.48Å; L236-V348 HydrophobicContact CB-CG2 4.21Å; L236-V348 HydrophobicContact CD2-CG2 4.13Å; L236-V348 HydrophobicContact CG-CG2 4.16Å; L236-V348 CarbonylContact O-C 3.59Å; L236-V348 WeakPolarHBondContact O-CA 3.36Å; L236-I349 PolarHBondContact O-N 2.87Å
237I96.7Very high92.2Very high0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-122.994176-48.4177000108.5F221 V235 V239 L248 L252 V320 V321 F322 A323 P351F221-I237 HydrophobicContact CE2-CD1 3.98Å; F221-I237 HydrophobicContact CZ-CD1 3.8Å; V235-I237 HydrophobicContact CG1-CD1 4.35Å; V235-I237 HydrophobicContact CG1-CG1 3.93Å; I237-V239 HydrophobicContact CG2-CG1 4.01Å; I237-V239 PolarHBondContact O-N 3.36Å; I237-L248 HydrophobicContact CG2-CD1 3.99Å; I237-L252 HydrophobicContact CD1-CD1 4.3Å; I237-V320 HydrophobicContact CD1-CG1 3.76Å; I237-V320 HydrophobicContact CG1-CG1 4.34Å; I237-V321 PolarHBondContact N-O 3.02Å; I237-F322 HydrophobicContact CB-CD1 3.72Å; I237-F322 HydrophobicContact CB-CE1 3.96Å; I237-F322 HydrophobicContact CB-CG 4.49Å; I237-F322 HydrophobicContact CD1-CD1 4.14Å; I237-F322 HydrophobicContact CD1-CE1 3.58Å; I237-F322 HydrophobicContact CD1-CZ 3.81Å; I237-F322 HydrophobicContact CG1-CD1 4.47Å; I237-F322 HydrophobicContact CG1-CE1 4.35Å; I237-F322 HydrophobicContact CG2-CD1 3.86Å; I237-F322 HydrophobicContact CG2-CE1 3.84Å; I237-F322 WeakPolarHBondContact O-CA 3.49Å; I237-A323 PolarHBondContact O-N 3.32Å; I237-A323 VanDerWaalsContact O-N 3.13Å; I237-P351 HydrophobicContact CG2-CG 4.35Å
238P93.8Very high92Very high0 Ų021.1 Ų21.10%010%0.104CC..EExtended strand (participates in β ladder)trans-68.1122.7176.1-21.337.1000110.2L236 A323 G326 L328 V348 I349 M350 P351L236-P238 HydrophobicContact CD2-CG 4.4Å; L236-P238 HydrophobicContact CG-CG 4.12Å; P238-A323 CarbonylContact C-O 3.53Å; P238-A323 VanDerWaalsContact CA-O 3.32Å; P238-A323 WeakPolarHBondContact CA-O 3.4Å; P238-G326 WeakPolarHBondContact CB-O 3.48Å; P238-L328 HydrophobicContact CB-CD2 3.97Å; P238-L328 HydrophobicContact CB-CG 4.22Å; P238-L328 HydrophobicContact CG-CD1 4.33Å; P238-L328 HydrophobicContact CG-CD2 3.55Å; P238-L328 HydrophobicContact CG-CG 3.92Å; P238-V348 HydrophobicContact CG-CG2 3.82Å; P238-I349 VanDerWaalsContact CD-O 3.24Å; P238-I349 WeakPolarHBondContact CD-O 3.34Å; P238-M350 HydrophobicContact CB-CE 4.48Å; P238-M350 HydrophobicContact CB-SD 4.3Å; P238-M350 HydrophobicContact CG-SD 3.76Å; P238-P351 WeakPolarHBondContact O-CD 3.31Å; P238-P351 VanDerWaalsContact O-CG 3.23Å; P238-P351 WeakPolarHBondContact O-CG 3.5Å
239V90.5Very high91.8Very high3 Ų321.1 Ų21.12%0.01810%0.104CC..  trans-137.9157.3-178.8-72.40000111.5I237 A245 L248 F267 F322 A323 T324 P325 G326 P351I237-V239 HydrophobicContact CG2-CG1 4.01Å; I237-V239 PolarHBondContact O-N 3.36Å; V239-A245 HydrophobicContact CB-CB 4.18Å; V239-A245 HydrophobicContact CG2-CB 3.9Å; V239-L248 HydrophobicContact CG1-CD1 4.23Å; V239-F267 HydrophobicContact CG2-CE1 4.46Å; V239-F267 HydrophobicContact CG2-CE2 4.34Å; V239-F267 HydrophobicContact CG2-CZ 3.7Å; V239-F322 HydrophobicContact CG1-CD1 4.24Å; V239-F322 HydrophobicContact CG2-CB 4.09Å; V239-F322 HydrophobicContact CG2-CD1 4.15Å; V239-A323 PolarHBondContact N-O 3.43Å; V239-T324 WeakPolarHBondContact O-CA 3.42Å; V239-T324 WeakPolarHBondContact O-CG2 3.47Å; V239-P325 CarbonylContact O-C 3.55Å; V239-G326 PolarHBondContact O-N 3.49Å; V239-P351 HydrophobicContact CG1-CG 3.82Å
240F84.5Confident91.6Very high91 Ų9120.6 Ų20.640%0.39910%0.102SC..  trans-73.7148.8160.3-60.5-74.5000109.5L242 A245 M327F240-L242 PolarHBondContact O-N 2.98Å; F240-A245 VanDerWaalsContact O-CB 3.27Å; F240-A245 WeakPolarHBondContact O-CB 3.14Å; F240-M327 HydrophobicContact CE1-CE 4.44Å; F240-M327 HydrophobicContact CZ-CE 4.09Å; F240-M327 HydrophobicContact CZ-CG 4.07Å; F240-M327 HydrophobicContact CZ-SD 4.46Å
241A75.9Confident91.5Very high7 Ų714.2 Ų14.26%0.0587%0.072CC..THydrogen-bonded Turntrans-66.7-22-171.500000114.2Q246 L271 A275 T324A241-Q246 PolarHBondContact O-NE2 2.95Å; A241-L271 HydrophobicContact CB-CB 3.68Å; A241-L271 HydrophobicContact CB-CD2 3.39Å; A241-L271 HydrophobicContact CB-CG 3.47Å; A241-L271 VanDerWaalsContact CB-CG 3.47Å; A241-A275 WeakPolarHBondContact O-CB 3.18Å; A241-T324 HydrophobicContact CB-CG2 3.94Å
242L81.4Confident91.5Very high6 Ų610.2 Ų10.23%0.0316%0.057CC..THydrogen-bonded Turntrans-126.4141.1-177.2-75.1134.5000109.7F69 I99 L103 F240 L271 A275 Y279F69-L242 HydrophobicContact CE2-CB 3.78Å; F69-L242 HydrophobicContact CZ-CB 3.76Å; F69-L242 HydrophobicContact CZ-CD2 4.46Å; I99-L242 HydrophobicContact CD1-CD2 4.17Å; I99-L242 HydrophobicContact CG2-CD1 3.61Å; I99-L242 HydrophobicContact CG2-CD2 4.28Å; L103-L242 HydrophobicContact CD1-CD1 4.29Å; L103-L242 HydrophobicContact CD2-CD1 4.27Å; L103-L242 HydrophobicContact CG-CD1 4.31Å; F240-L242 PolarHBondContact O-N 2.98Å; L242-L271 HydrophobicContact CD1-CD2 4.48Å; L242-L271 HydrophobicContact CD1-CG 4.41Å; L242-A275 HydrophobicContact CD1-CB 4.44Å; L242-A275 HydrophobicContact CD2-CB 3.46Å; L242-A275 VanDerWaalsContact CD2-CB 3.46Å; L242-A275 HydrophobicContact CG-CB 3.57Å; L242-Y279 HydrophobicContact CD2-CE2 4.34Å
243G84.3Confident91.3Very high2 Ų29 Ų92%0.0214%0.042CC..THydrogen-bonded Turntrans94.3-100-178.300000112.1A245 Q246 E247 Y279G243-A245 VanDerWaalsContact C-N 3.3Å; G243-A245 PolarHBondContact O-N 2.83Å; G243-Q246 PolarHBondContact O-N 3.22Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-Q246 PolarHBondContact O-OE1 3.3Å; G243-E247 PolarHBondContact O-N 3.48Å; G243-Y279 WeakPolarHBondContact CA-OH 3.47Å; G243-Y279 PolarHBondContact N-OH 3.21Å
244R86.7Confident91.1Very high26 Ų2612.1 Ų12.110%0.0986%0.061CC..Hα-helixtrans-68-29.4-167.9-166.948.758169.86.4114.2D184 Q246 E247 L248 F389D184-R244 VanDerWaalsContact CG-NH1 3.32Å; D184-R244 IonicContact OD1-CZ 3.23Å; D184-R244 IonicContact OD1-NH1 2.79Å; D184-R244 PolarHBondContact OD1-NH1 2.71Å; D184-R244 IonicContact OD1-NH2 2.71Å; D184-R244 IonicContact OD2-CZ 3.71Å; D184-R244 IonicContact OD2-NH1 3.52Å; D184-R244 PolarHBondContact OD2-NH1 3.13Å; D184-R244 VanDerWaalsContact OD2-NH1 3.08Å; D184-R244 IonicContact OD2-NH2 2.67Å; D184-R244 PolarHBondContact OD2-NH2 3.04Å; R244-Q246 VanDerWaalsContact C-N 3.31Å; R244-Q246 PolarHBondContact O-N 2.96Å; R244-E247 PolarHBondContact O-N 3.41Å; R244-L248 HydrophobicContact CG-CD1 4.36Å; R244-L248 HydrophobicContact CG-CG 4.48Å; R244-L248 PolarHBondContact O-N 3.11Å; R244-F389 WeakPolarHBondContact CD-O 3.44Å; R244-F389 HydrophobicContact CG-CB 4.36Å; R244-F389 PolarHBondContact NE-O 3.1Å; R244-F389 PolarHBondContact NH2-O 3.36Å
245A89.3Confident91Very high0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-51.7-50.117100000111.9V239 F240 G243 E247 L248 C249 F267V239-A245 HydrophobicContact CB-CB 4.18Å; V239-A245 HydrophobicContact CG2-CB 3.9Å; F240-A245 VanDerWaalsContact O-CB 3.27Å; F240-A245 WeakPolarHBondContact O-CB 3.14Å; G243-A245 VanDerWaalsContact C-N 3.3Å; G243-A245 PolarHBondContact O-N 2.83Å; A245-E247 PolarHBondContact O-N 3.14Å; A245-L248 PolarHBondContact O-N 3.32Å; A245-C249 WeakPolarHBondContact O-CB 3.34Å; A245-C249 PolarHBondContact O-N 3.2Å; A245-C249 PolarHBondContact O-SG 2.96Å; A245-F267 HydrophobicContact CB-CE2 3.73Å; A245-F267 HydrophobicContact CB-CZ 3.45Å; A245-F267 VanDerWaalsContact CB-CZ 3.45Å
246Q90.4Very high90.8Very high2 Ų212.4 Ų12.41%0.0096%0.062CC..Hα-helixtrans-66.4-37.9-176.5-72.174.517.700112A241 G243 R244 C249 I250 Y279 F300A241-Q246 PolarHBondContact O-NE2 2.95Å; G243-Q246 PolarHBondContact O-N 3.22Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-Q246 PolarHBondContact O-OE1 3.3Å; R244-Q246 VanDerWaalsContact C-N 3.31Å; R244-Q246 PolarHBondContact O-N 2.96Å; Q246-C249 PolarHBondContact O-N 2.77Å; Q246-I250 WeakPolarHBondContact O-CB 3.49Å; Q246-I250 WeakPolarHBondContact O-CD1 3.5Å; Q246-I250 VanDerWaalsContact O-CG1 3.25Å; Q246-I250 WeakPolarHBondContact O-CG1 3.44Å; Q246-I250 PolarHBondContact O-N 3.35Å; Q246-Y279 HydrophobicContact CB-CE2 4.22Å; Q246-Y279 VanDerWaalsContact CD-CE2 3.48Å; Q246-Y279 HydrophobicContact CG-CD2 3.8Å; Q246-Y279 HydrophobicContact CG-CE2 3.49Å; Q246-Y279 VanDerWaalsContact CG-CE2 3.49Å; Q246-F300 HydrophobicContact CB-CD1 4.49Å; Q246-F300 HydrophobicContact CB-CE1 4.19Å; Q246-F300 HydrophobicContact CG-CD1 4.27Å; Q246-F300 HydrophobicContact CG-CE1 4.31Å
247E91.5Very high90.6Very high3 Ų316.2 Ų16.21%0.0148%0.08CC..Hα-helixtrans-57.9-50.9174.1-176.573.1178.800111.7D184 R185 H186 K214 G243 R244 A245 I250 L251D184-E247 WeakPolarHBondContact CB-OE2 3.34Å; R185-E247 WeakPolarHBondContact CA-OE2 3.34Å; R185-E247 VanDerWaalsContact CB-OE2 3.26Å; R185-E247 WeakPolarHBondContact CB-OE2 3.32Å; R185-E247 VanDerWaalsContact CG-OE1 3.26Å; R185-E247 WeakPolarHBondContact CG-OE1 3.4Å; R185-E247 VanDerWaalsContact N-CD 3.25Å; R185-E247 PolarHBondContact N-OE1 3.33Å; R185-E247 PolarHBondContact N-OE2 3.05Å; H186-E247 IonicContact CE1-OE2 2.88Å; H186-E247 IonicContact CG-OE2 2.71Å; H186-E247 PolarHBondContact N-OE2 3.15Å; H186-E247 IonicContact ND1-OE2 3.3Å; H186-E247 PolarHBondContact ND1-OE2 3.15Å; K214-E247 IonicContact NZ-OE1 3.56Å; K214-E247 PolarHBondContact NZ-OE1 2.79Å; G243-E247 PolarHBondContact O-N 3.48Å; R244-E247 PolarHBondContact O-N 3.41Å; A245-E247 PolarHBondContact O-N 3.14Å; E247-I250 PolarHBondContact O-N 3.43Å; E247-L251 PolarHBondContact O-N 3.2Å
248L93.4Very high90.6Very high0 Ų026.5 Ų26.50%012%0.119CC..Hα-helixtrans-71.3-35.1-176.1-64.4178.6000111.6F221 I237 V239 R244 A245 L251 L252 F322 P351 F389F221-L248 HydrophobicContact CE1-CD2 4.26Å; F221-L248 HydrophobicContact CE2-CD2 4.39Å; F221-L248 HydrophobicContact CZ-CD2 4.12Å; I237-L248 HydrophobicContact CG2-CD1 3.99Å; V239-L248 HydrophobicContact CG1-CD1 4.23Å; R244-L248 HydrophobicContact CG-CD1 4.36Å; R244-L248 HydrophobicContact CG-CG 4.48Å; R244-L248 PolarHBondContact O-N 3.11Å; A245-L248 PolarHBondContact O-N 3.32Å; L248-L251 PolarHBondContact O-N 3.11Å; L248-L252 PolarHBondContact O-N 3.28Å; L248-F322 HydrophobicContact CB-CE1 3.59Å; L248-F322 HydrophobicContact CB-CZ 3.92Å; L248-F322 HydrophobicContact CD1-CE1 4.19Å; L248-P351 HydrophobicContact CD1-CB 3.82Å; L248-P351 HydrophobicContact CD1-CG 4.33Å; L248-F389 HydrophobicContact CD2-CD1 3.93Å; L248-F389 HydrophobicContact CD2-CD2 4.1Å; L248-F389 HydrophobicContact CD2-CE1 4.08Å; L248-F389 HydrophobicContact CD2-CE2 4.24Å; L248-F389 HydrophobicContact CD2-CG 3.95Å; L248-F389 HydrophobicContact CD2-CZ 4.24Å
249C92.8Very high90.6Very high2 Ų230.7 Ų30.71%0.01414%0.139CC..Hα-helixtrans-60.9-47.5172.3-740000111.9A245 Q246 L251 L252 E253 F267 F302 I305A245-C249 WeakPolarHBondContact O-CB 3.34Å; A245-C249 PolarHBondContact O-N 3.2Å; A245-C249 PolarHBondContact O-SG 2.96Å; Q246-C249 PolarHBondContact O-N 2.77Å; C249-L251 VanDerWaalsContact C-N 3.27Å; C249-L251 PolarHBondContact O-N 2.94Å; C249-L252 PolarHBondContact O-N 3.48Å; C249-E253 WeakPolarHBondContact O-CB 3.43Å; C249-E253 PolarHBondContact O-N 3.3Å; C249-F267 WeakPolarHBondContact SG-CD2 3.27Å; C249-F267 WeakPolarHBondContact SG-CE2 3.22Å; C249-F302 HydrophobicContact CB-CD1 4.38Å; C249-F302 HydrophobicContact CB-CE1 3.72Å; C249-F302 HydrophobicContact CB-CE2 3.88Å; C249-F302 HydrophobicContact CB-CZ 3.44Å; C249-F302 VanDerWaalsContact CB-CZ 3.44Å; C249-I305 HydrophobicContact CB-CD1 3.59Å
250I92.4Very high90.8Very high3 Ų335.8 Ų35.82%0.01517%0.166CC..Hα-helixtrans-61.1-40.3177.3-69.5165.8000110.7R185 H186 Q246 E247 T254 M299 F300 F302R185-I250 HydrophobicContact CB-CG2 4.26Å; H186-I250 HydrophobicContact CB-CD1 4.03Å; Q246-I250 WeakPolarHBondContact O-CB 3.49Å; Q246-I250 WeakPolarHBondContact O-CD1 3.5Å; Q246-I250 VanDerWaalsContact O-CG1 3.25Å; Q246-I250 WeakPolarHBondContact O-CG1 3.44Å; Q246-I250 PolarHBondContact O-N 3.35Å; E247-I250 PolarHBondContact O-N 3.43Å; I250-T254 WeakPolarHBondContact O-CB 3.4Å; I250-T254 PolarHBondContact O-N 2.56Å; I250-T254 VanDerWaalsContact O-N 3.16Å; I250-T254 PolarHBondContact O-OG1 3.39Å; I250-M299 HydrophobicContact CG2-CE 3.67Å; I250-F300 HydrophobicContact CD1-CD1 4.49Å; I250-F300 HydrophobicContact CD1-CE1 4.02Å; I250-F302 HydrophobicContact CG1-CE1 3.93Å; I250-F302 HydrophobicContact CG1-CZ 4.31Å
251L94.4Very high91.3Very high7 Ų732.9 Ų32.94%0.03716%0.155CC..Hα-helixtrans-63.3-49.5177.9-179.361.5000111.7E218 F221 L222 E247 L248 C249 F255E218-L251 HydrophobicContact CB-CD1 4.27Å; E218-L251 HydrophobicContact CB-CD2 4.15Å; E218-L251 HydrophobicContact CG-CD1 4.21Å; E218-L251 HydrophobicContact CG-CD2 3.9Å; F221-L251 HydrophobicContact CD1-CD2 3.62Å; F221-L251 HydrophobicContact CD1-CG 4.47Å; F221-L251 HydrophobicContact CE1-CD2 3.97Å; L222-L251 HydrophobicContact CD1-CD1 4.05Å; L222-L251 HydrophobicContact CD1-CG 4.49Å; L222-L251 HydrophobicContact CD2-CD1 4.5Å; L222-L251 HydrophobicContact CD2-CG 4.08Å; L222-L251 HydrophobicContact CG-CD1 4.44Å; L222-L251 HydrophobicContact CG-CG 4.38Å; E247-L251 PolarHBondContact O-N 3.2Å; L248-L251 PolarHBondContact O-N 3.11Å; C249-L251 VanDerWaalsContact C-N 3.27Å; C249-L251 PolarHBondContact O-N 2.94Å; L251-F255 WeakPolarHBondContact O-CB 3.45Å; L251-F255 PolarHBondContact O-N 3.4Å; L251-F255 VanDerWaalsContact O-N 3.1Å
252L95.3Very high92.1Very high0 Ų040.5 Ų40.50%019%0.187CC..Hα-helixtrans-68.3-40.9179-71.8-168.3000112.7F221 L222 V225 I237 L248 C249 T254 F255 W256 I265 V320 F322F221-L252 HydrophobicContact CD1-CD2 4.4Å; F221-L252 HydrophobicContact CE1-CD1 4.5Å; F221-L252 HydrophobicContact CE1-CD2 3.48Å; F221-L252 VanDerWaalsContact CE1-CD2 3.48Å; F221-L252 HydrophobicContact CE1-CG 3.89Å; F221-L252 HydrophobicContact CZ-CD1 4.35Å; F221-L252 HydrophobicContact CZ-CD2 4.06Å; F221-L252 HydrophobicContact CZ-CG 4.21Å; L222-L252 HydrophobicContact CD2-CD2 3.75Å; V225-L252 HydrophobicContact CG1-CD2 4.26Å; I237-L252 HydrophobicContact CD1-CD1 4.3Å; L248-L252 PolarHBondContact O-N 3.28Å; C249-L252 PolarHBondContact O-N 3.48Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.15Å; L252-F255 PolarHBondContact O-N 2.81Å; L252-F255 VanDerWaalsContact O-N 3.12Å; L252-W256 HydrophobicContact CB-CE3 4.39Å; L252-W256 HydrophobicContact CB-CZ3 4.48Å; L252-W256 HydrophobicContact CD2-CE3 4.4Å; L252-W256 HydrophobicContact CD2-CZ3 3.81Å; L252-W256 WeakPolarHBondContact O-CB 3.25Å; L252-W256 PolarHBondContact O-N 2.86Å; L252-I265 HydrophobicContact CB-CD1 4.1Å; L252-V320 HydrophobicContact CD1-CG1 3.91Å; L252-F322 HydrophobicContact CD1-CE2 3.69Å; L252-F322 HydrophobicContact CD1-CZ 3.49Å; L252-F322 VanDerWaalsContact CD1-CZ 3.49Å; L252-F322 HydrophobicContact CG-CZ 4.22Å
253E93.1Very high92.8Very high9 Ų941 Ų414%0.04219%0.192CC..Hα-helixtrans-57.1-45.9176.8178.469.2-162.800110.9C249 F255 W256 E257 R297 F302 K303 H304C249-E253 WeakPolarHBondContact O-CB 3.43Å; C249-E253 PolarHBondContact O-N 3.3Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 2.9Å; E253-W256 PolarHBondContact O-N 2.9Å; E253-E257 PolarHBondContact O-N 3.49Å; E253-E257 VanDerWaalsContact O-N 3.08Å; E253-R297 IonicContact OE1-NH2 2.69Å; E253-F302 HydrophobicContact CB-CD1 4Å; E253-F302 HydrophobicContact CG-CD1 4.06Å; E253-K303 WeakPolarHBondContact OE1-CB 3.25Å; E253-K303 PolarHBondContact OE1-N 3.42Å; E253-K303 PolarHBondContact OE2-N 2.62Å; E253-H304 VanDerWaalsContact CD-ND1 3.33Å; E253-H304 IonicContact OE1-CE1 3.32Å; E253-H304 IonicContact OE1-CG 3.68Å; E253-H304 IonicContact OE1-ND1 3.56Å; E253-H304 PolarHBondContact OE1-ND1 3.02Å; E253-H304 WeakPolarHBondContact OE2-CB 3.39Å; E253-H304 IonicContact OE2-CG 3.43Å; E253-H304 PolarHBondContact OE2-N 2.84Å; E253-H304 IonicContact OE2-ND1 3.93Å; E253-H304 PolarHBondContact OE2-ND1 3.13Å
254T92.1Very high93.3Very high66 Ų6643.1 Ų43.141%0.40521%0.205SC..Hα-helixtrans-65.4-38.3177.7-51.10000111.5I250 L252 R258I250-T254 WeakPolarHBondContact O-CB 3.4Å; I250-T254 PolarHBondContact O-N 2.56Å; I250-T254 VanDerWaalsContact O-N 3.16Å; I250-T254 PolarHBondContact O-OG1 3.39Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.15Å; T254-R258 WeakPolarHBondContact O-CB 3.49Å; T254-R258 PolarHBondContact O-N 3.3Å; T254-R258 VanDerWaalsContact O-N 3.13Å
255F95.7Very high93.8Very high30 Ų3041.9 Ų41.913%0.13220%0.201CC..Hα-helixtrans-69.9-41178.5-176.2-109.8000112.2L222 H226 L251 L252 E253 R258 M259 L261L222-F255 HydrophobicContact CB-CD2 4.29Å; L222-F255 HydrophobicContact CB-CE2 4.16Å; L222-F255 HydrophobicContact CB-CZ 4.31Å; L222-F255 HydrophobicContact CD1-CB 4.27Å; L222-F255 HydrophobicContact CD1-CD2 3.72Å; L222-F255 HydrophobicContact CD1-CE2 4.27Å; L222-F255 HydrophobicContact CD1-CG 4.1Å; L222-F255 HydrophobicContact CD2-CB 3.62Å; L222-F255 HydrophobicContact CD2-CD1 3.82Å; L222-F255 HydrophobicContact CD2-CD2 4.02Å; L222-F255 HydrophobicContact CD2-CE1 4.45Å; L222-F255 HydrophobicContact CD2-CG 3.56Å; L222-F255 HydrophobicContact CG-CD2 4.22Å; L222-F255 HydrophobicContact CG-CG 4.27Å; H226-F255 HydrophobicContact CB-CE1 4.14Å; H226-F255 HydrophobicContact CB-CZ 4.19Å; L251-F255 WeakPolarHBondContact O-CB 3.45Å; L251-F255 PolarHBondContact O-N 3.4Å; L251-F255 VanDerWaalsContact O-N 3.1Å; L252-F255 PolarHBondContact O-N 2.81Å; L252-F255 VanDerWaalsContact O-N 3.12Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-F255 PolarHBondContact O-N 2.9Å; F255-R258 PolarHBondContact O-N 2.57Å; F255-M259 HydrophobicContact CD1-CG 4.44Å; F255-M259 HydrophobicContact CD2-CG 3.83Å; F255-M259 HydrophobicContact CE1-CG 4.16Å; F255-M259 HydrophobicContact CE2-CG 3.49Å; F255-M259 VanDerWaalsContact CE2-CG 3.49Å; F255-M259 HydrophobicContact CE2-SD 4.24Å; F255-M259 HydrophobicContact CG-CG 4.31Å; F255-M259 HydrophobicContact CZ-CG 3.68Å; F255-M259 WeakPolarHBondContact O-CB 3.39Å; F255-M259 WeakPolarHBondContact O-CG 3.49Å; F255-M259 PolarHBondContact O-N 2.89Å; F255-L261 HydrophobicContact CD1-CD1 3.99Å; F255-L261 HydrophobicContact CE1-CD1 3.7Å
256W95.8Very high94Very high2 Ų243.3 Ų43.31%0.00821%0.206CC..Hα-helixtrans-62.2-45.5176.7-106.4-117000111.9V225 I229 L252 E253 R258 N260 L261 A263 I265 H304 V320V225-W256 HydrophobicContact CG1-CH2 3.85Å; V225-W256 HydrophobicContact CG1-CZ3 4.13Å; I229-W256 HydrophobicContact CD1-CH2 3.35Å; I229-W256 HydrophobicContact CD1-CZ2 3.62Å; L252-W256 HydrophobicContact CB-CE3 4.39Å; L252-W256 HydrophobicContact CB-CZ3 4.48Å; L252-W256 HydrophobicContact CD2-CE3 4.4Å; L252-W256 HydrophobicContact CD2-CZ3 3.81Å; L252-W256 WeakPolarHBondContact O-CB 3.25Å; L252-W256 PolarHBondContact O-N 2.86Å; E253-W256 PolarHBondContact O-N 2.9Å; W256-R258 VanDerWaalsContact C-N 3.33Å; W256-R258 PolarHBondContact O-N 2.83Å; W256-N260 WeakPolarHBondContact O-CA 3.31Å; W256-N260 PolarHBondContact O-N 2.76Å; W256-L261 HydrophobicContact CD2-CB 4.03Å; W256-L261 HydrophobicContact CD2-CD1 3.92Å; W256-L261 HydrophobicContact CE3-CD1 3.83Å; W256-L261 HydrophobicContact CG-CB 4.04Å; W256-L261 HydrophobicContact CH2-CD1 4.15Å; W256-L261 HydrophobicContact CZ2-CD1 4.23Å; W256-L261 HydrophobicContact CZ3-CD1 3.91Å; W256-L261 PolarHBondContact O-N 3.28Å; W256-A263 HydrophobicContact CZ2-CB 4.43Å; W256-A263 PolarHBondContact NE1-O 3.18Å; W256-I265 HydrophobicContact CB-CD1 4.47Å; W256-I265 HydrophobicContact CD2-CD1 3.3Å; W256-I265 HydrophobicContact CD2-CG1 4.05Å; W256-I265 VanDerWaalsContact CE2-CG1 3.49Å; W256-I265 HydrophobicContact CE3-CD1 3.72Å; W256-I265 HydrophobicContact CG-CD1 3.65Å; W256-I265 HydrophobicContact CH2-CD1 4.1Å; W256-I265 HydrophobicContact CH2-CG1 4.16Å; W256-I265 HydrophobicContact CZ2-CD1 3.71Å; W256-I265 HydrophobicContact CZ2-CG1 3.53Å; W256-I265 HydrophobicContact CZ3-CD1 4.13Å; W256-H304 HydrophobicContact CB-CB 4.28Å; W256-H304 HydrophobicContact CG-CB 4.42Å; W256-V320 HydrophobicContact CH2-CG2 3.84Å; W256-V320 HydrophobicContact CZ2-CG2 4.09Å
257E93.2Very high94Very high81 Ų8144 Ų4438%0.37921%0.209SC..Hα-helixtrans-62.9-41.5177.4-169.7162.9-146.200110.7E253 R297 K303E253-E257 PolarHBondContact O-N 3.49Å; E253-E257 VanDerWaalsContact O-N 3.08Å; E257-R297 IonicContact OE1-NH1 3.81Å; E257-R297 PolarHBondContact OE1-NH1 3.35Å; E257-R297 IonicContact OE1-NH2 3.95Å; E257-R297 IonicContact OE2-CZ 3.4Å; E257-R297 IonicContact OE2-NH1 2.89Å; E257-R297 PolarHBondContact OE2-NH1 3.06Å; E257-R297 IonicContact OE2-NH2 3.72Å; E257-R297 PolarHBondContact OE2-NH2 3.35Å; E257-K303 IonicContact OE1-NZ 3.81Å; E257-K303 PolarHBondContact OE1-NZ 3.15Å
258R95.4Very high93.6Very high217 Ų21743.9 Ų43.982%0.81921%0.209SC*.Hα-helixtrans-70.4-40.8-180-177.6178.9176.2-172.7-1.2113.8T254 F255 W256T254-R258 WeakPolarHBondContact O-CB 3.49Å; T254-R258 PolarHBondContact O-N 3.3Å; T254-R258 VanDerWaalsContact O-N 3.13Å; F255-R258 PolarHBondContact O-N 2.57Å; W256-R258 VanDerWaalsContact C-N 3.33Å; W256-R258 PolarHBondContact O-N 2.83Å
259M95.4Very high92.7Very high87 Ų8747.3 Ų47.343%0.42923%0.23SC..Hα-helixtrans-92.8-3.8-175.8-64.9-64.1-69.400112.8F255 L261F255-M259 HydrophobicContact CD1-CG 4.44Å; F255-M259 HydrophobicContact CD2-CG 3.83Å; F255-M259 HydrophobicContact CE1-CG 4.16Å; F255-M259 HydrophobicContact CE2-CG 3.49Å; F255-M259 VanDerWaalsContact CE2-CG 3.49Å; F255-M259 HydrophobicContact CE2-SD 4.24Å; F255-M259 HydrophobicContact CG-CG 4.31Å; F255-M259 HydrophobicContact CZ-CG 3.68Å; F255-M259 WeakPolarHBondContact O-CB 3.39Å; F255-M259 WeakPolarHBondContact O-CG 3.49Å; F255-M259 PolarHBondContact O-N 2.89Å; M259-L261 HydrophobicContact CB-CD1 4.21Å; M259-L261 HydrophobicContact CB-CD2 4.14Å; M259-L261 HydrophobicContact CB-CG 3.75Å; M259-L261 PolarHBondContact O-N 2.92Å
260N93.9Very high91.8Very high110 Ų11049.2 Ų49.259%0.58825%0.25SC*.THydrogen-bonded Turntrans52.539.6-176.4-169.630.5000113.2W256 K262W256-N260 WeakPolarHBondContact O-CA 3.31Å; W256-N260 PolarHBondContact O-N 2.76Å; N260-K262 PolarHBondContact OD1-NZ 2.93Å
261L94.3Very high90.8Very high30 Ų3050.2 Ų50.216%0.15726%0.255CS..  trans-71.5141.2-179.3-61.4177.7000111.1F255 W256 M259F255-L261 HydrophobicContact CD1-CD1 3.99Å; F255-L261 HydrophobicContact CE1-CD1 3.7Å; W256-L261 HydrophobicContact CD2-CB 4.03Å; W256-L261 HydrophobicContact CD2-CD1 3.92Å; W256-L261 HydrophobicContact CE3-CD1 3.83Å; W256-L261 HydrophobicContact CG-CB 4.04Å; W256-L261 HydrophobicContact CH2-CD1 4.15Å; W256-L261 HydrophobicContact CZ2-CD1 4.23Å; W256-L261 HydrophobicContact CZ3-CD1 3.91Å; W256-L261 PolarHBondContact O-N 3.28Å; M259-L261 HydrophobicContact CB-CD1 4.21Å; M259-L261 HydrophobicContact CB-CD2 4.14Å; M259-L261 HydrophobicContact CB-CG 3.75Å; M259-L261 PolarHBondContact O-N 2.92Å
262K93.5Very high89.6Confident168 Ų16850.3 Ų50.373%0.7326%0.256SS*.  trans-104.2-12.8-178.9-57.1-57.6178-1660114.3N260N260-K262 PolarHBondContact OD1-NZ 2.93Å
263A95.6Very high88.7Confident16 Ų1656.2 Ų56.213%0.13228%0.283CS..SBendtrans-59.3134.1177.100000110I229 W256 P318I229-A263 HydrophobicContact CD1-CB 4.43Å; I229-A263 HydrophobicContact CG2-CB 3.53Å; W256-A263 HydrophobicContact CZ2-CB 4.43Å; W256-A263 PolarHBondContact NE1-O 3.18Å; A263-P318 HydrophobicContact CB-CG 4.46Å
264P95.9Very high88.1Confident46 Ų4661.2 Ų61.230%0.29931%0.305SS..  trans-70.6138.2-177.629.1-35.3000111.1Y266 P318 M319 V320P264-Y266 HydrophobicContact CB-CD2 4.28Å; P264-Y266 HydrophobicContact CB-CE1 4.37Å; P264-Y266 HydrophobicContact CB-CE2 3.53Å; P264-Y266 HydrophobicContact CG-CE2 3.71Å; P264-P318 WeakPolarHBondContact CD-O 3.34Å; P264-M319 HydrophobicContact CG-CB 3.95Å; P264-M319 WeakPolarHBondContact O-CA 3.37Å; P264-V320 PolarHBondContact O-N 3.32Å
265I96Very high87.7Confident1 Ų158.1 Ų58.11%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-106.7129.7165.6-54.4165.9000107.4L252 W256 I305 K306 V320 F322L252-I265 HydrophobicContact CB-CD1 4.1Å; W256-I265 HydrophobicContact CB-CD1 4.47Å; W256-I265 HydrophobicContact CD2-CD1 3.3Å; W256-I265 HydrophobicContact CD2-CG1 4.05Å; W256-I265 VanDerWaalsContact CE2-CG1 3.49Å; W256-I265 HydrophobicContact CE3-CD1 3.72Å; W256-I265 HydrophobicContact CG-CD1 3.65Å; W256-I265 HydrophobicContact CH2-CD1 4.1Å; W256-I265 HydrophobicContact CH2-CG1 4.16Å; W256-I265 HydrophobicContact CZ2-CD1 3.71Å; W256-I265 HydrophobicContact CZ2-CG1 3.53Å; W256-I265 HydrophobicContact CZ3-CD1 4.13Å; I265-I305 HydrophobicContact CB-CG1 4.08Å; I265-I305 HydrophobicContact CD1-CG1 4.27Å; I265-I305 HydrophobicContact CG2-CB 4.35Å; I265-I305 HydrophobicContact CG2-CD1 4.33Å; I265-I305 HydrophobicContact CG2-CG1 3.83Å; I265-I305 HydrophobicContact CG2-CG2 4.09Å; I265-I305 WeakPolarHBondContact O-CA 3.41Å; I265-K306 PolarHBondContact O-N 3.07Å; I265-V320 CarbonylContact C-O 3.56Å; I265-V320 WeakPolarHBondContact CA-O 3.21Å; I265-V320 HydrophobicContact CG1-CB 4.25Å; I265-V320 HydrophobicContact CG2-CB 4.2Å; I265-V320 HydrophobicContact CG2-CG1 4.39Å; I265-F322 HydrophobicContact CG2-CD2 4.16Å; I265-F322 HydrophobicContact CG2-CE2 3.92Å
266Y94.1Very high87.1Confident30 Ų3058 Ų5812%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-120154.1174.5-54.6-79.3000112.1P264 K306 A307 F308 Y312 M319 V320 V321 F322P264-Y266 HydrophobicContact CB-CD2 4.28Å; P264-Y266 HydrophobicContact CB-CE1 4.37Å; P264-Y266 HydrophobicContact CB-CE2 3.53Å; P264-Y266 HydrophobicContact CG-CE2 3.71Å; Y266-K306 CarbonylContact C-O 3.5Å; Y266-K306 WeakPolarHBondContact CA-O 3.37Å; Y266-K306 HydrophobicContact CD1-CB 4.06Å; Y266-K306 HydrophobicContact CE1-CB 4.33Å; Y266-A307 WeakPolarHBondContact CD1-O 3.03Å; Y266-F308 HydrophobicContact CD2-CD2 4.06Å; Y266-F308 AromaticContact CG-CD2 3.85Å; Y266-F308 HydrophobicContact CG-CD2 3.85Å; Y266-Y312 HydrophobicContact CD1-CD2 4.01Å; Y266-Y312 HydrophobicContact CD1-CE2 4.32Å; Y266-Y312 AromaticContact CE1-CD2 3.57Å; Y266-Y312 HydrophobicContact CE1-CD2 3.57Å; Y266-Y312 AromaticContact CE1-CE2 3.76Å; Y266-Y312 HydrophobicContact CE1-CE2 3.76Å; Y266-Y312 HydrophobicContact CE2-CD2 4.39Å; Y266-Y312 AromaticContact CZ-CD2 3.78Å; Y266-M319 HydrophobicContact CD2-CB 4.43Å; Y266-M319 HydrophobicContact CE2-CB 4.3Å; Y266-M319 HydrophobicContact CE2-SD 4.43Å; Y266-V320 PolarHBondContact N-O 3.43Å; Y266-V321 HydrophobicContact CD2-CG2 4.13Å; Y266-V321 WeakPolarHBondContact O-CA 3.22Å; Y266-F322 PolarHBondContact O-N 2.93Å
267F89.9Confident86.7Confident15 Ų1563.3 Ų63.37%0.06631%0.311CS..EExtended strand (participates in β ladder)trans-124.7131.8169.9-150.5-64.1000109.5V239 A245 C249 T269 T272 I305 K306 F308 F322V239-F267 HydrophobicContact CG2-CE1 4.46Å; V239-F267 HydrophobicContact CG2-CE2 4.34Å; V239-F267 HydrophobicContact CG2-CZ 3.7Å; A245-F267 HydrophobicContact CB-CE2 3.73Å; A245-F267 HydrophobicContact CB-CZ 3.45Å; A245-F267 VanDerWaalsContact CB-CZ 3.45Å; C249-F267 WeakPolarHBondContact SG-CD2 3.27Å; C249-F267 WeakPolarHBondContact SG-CE2 3.22Å; F267-T269 PolarHBondContact O-N 3.16Å; F267-T272 HydrophobicContact CD1-CG2 3.47Å; F267-T272 VanDerWaalsContact CD1-CG2 3.47Å; F267-T272 WeakPolarHBondContact CD1-OG1 3.45Å; F267-T272 HydrophobicContact CD2-CG2 4.18Å; F267-T272 HydrophobicContact CE1-CG2 3.49Å; F267-T272 VanDerWaalsContact CE1-CG2 3.49Å; F267-T272 WeakPolarHBondContact CE1-OG1 3.43Å; F267-T272 HydrophobicContact CE2-CG2 4.13Å; F267-T272 HydrophobicContact CG-CG2 3.87Å; F267-T272 HydrophobicContact CZ-CG2 3.8Å; F267-I305 HydrophobicContact CB-CG2 3.95Å; F267-K306 PolarHBondContact N-O 3.45Å; F267-F308 WeakPolarHBondContact O-CB 3.34Å; F267-F308 PolarHBondContact O-N 3.17Å; F267-F322 HydrophobicContact CD1-CB 4.21Å; F267-F322 HydrophobicContact CD2-CB 3.35Å; F267-F322 AromaticContact CD2-CD2 3.77Å; F267-F322 HydrophobicContact CD2-CD2 3.77Å; F267-F322 AromaticContact CD2-CG 3.71Å; F267-F322 HydrophobicContact CD2-CG 3.71Å; F267-F322 HydrophobicContact CE1-CB 4.1Å; F267-F322 HydrophobicContact CE2-CB 3.28Å; F267-F322 HydrophobicContact CE2-CD1 4.16Å; F267-F322 HydrophobicContact CE2-CD2 4.08Å; F267-F322 AromaticContact CE2-CG 3.6Å; F267-F322 HydrophobicContact CE2-CG 3.6Å; F267-F322 HydrophobicContact CG-CB 3.84Å; F267-F322 HydrophobicContact CZ-CB 3.67Å; F267-F322 HydrophobicContact CZ-CG 4.39Å
268S83.8Confident86.6Confident2 Ų261.5 Ų61.51%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-46.3124.9173.154.60000112.1F322S268-F322 PolarHBondContact N-O 2.77Å
269T73.6Confident86.3Confident71 Ų7151.1 Ų51.144%0.43626%0.262SS..SBendtrans-65154.8177.441.60000112.1F267 A307 F308F267-T269 PolarHBondContact O-N 3.16Å; T269-A307 HydrophobicContact CG2-CB 3.56Å; T269-F308 WeakPolarHBondContact CG2-O 3.41Å; T269-F308 PolarHBondContact OG1-O 2.79Å
270G73.7Confident86.1Confident42 Ų4250.1 Ų50.143%0.43326%0.255SS..SBendtrans115.1-112.2178.100000113.1T272 E273G270-T272 PolarHBondContact O-N 3.32Å; G270-T272 VanDerWaalsContact O-N 3.14Å; G270-E273 PolarHBondContact O-N 2.84Å
271L72.8Confident86Confident25 Ų2549.8 Ų49.813%0.13125%0.253CS..Hα-helixtrans-62.7-24.1-170-171.457.8000113.8I102 L103 A241 L242 K274 A275I102-L271 HydrophobicContact CB-CD1 4.44Å; I102-L271 HydrophobicContact CG2-CD1 3.24Å; L103-L271 HydrophobicContact CD2-CD2 3.55Å; A241-L271 HydrophobicContact CB-CB 3.68Å; A241-L271 HydrophobicContact CB-CD2 3.39Å; A241-L271 HydrophobicContact CB-CG 3.47Å; A241-L271 VanDerWaalsContact CB-CG 3.47Å; L242-L271 HydrophobicContact CD1-CD2 4.48Å; L242-L271 HydrophobicContact CD1-CG 4.41Å; L271-K274 PolarHBondContact O-N 2.84Å; L271-A275 WeakPolarHBondContact O-CB 3.48Å; L271-A275 PolarHBondContact O-N 2.83Å
272T69.4Low85.9Confident8 Ų849.7 Ų49.75%0.04925%0.252CS..Hα-helixtrans-74.5-35.5-176.1-48.20000114.1F267 G270 K274 A275 N276F267-T272 HydrophobicContact CD1-CG2 3.47Å; F267-T272 VanDerWaalsContact CD1-CG2 3.47Å; F267-T272 WeakPolarHBondContact CD1-OG1 3.45Å; F267-T272 HydrophobicContact CD2-CG2 4.18Å; F267-T272 HydrophobicContact CE1-CG2 3.49Å; F267-T272 VanDerWaalsContact CE1-CG2 3.49Å; F267-T272 WeakPolarHBondContact CE1-OG1 3.43Å; F267-T272 HydrophobicContact CE2-CG2 4.13Å; F267-T272 HydrophobicContact CG-CG2 3.87Å; F267-T272 HydrophobicContact CZ-CG2 3.8Å; G270-T272 PolarHBondContact O-N 3.32Å; G270-T272 VanDerWaalsContact O-N 3.14Å; T272-K274 VanDerWaalsContact C-N 3.28Å; T272-K274 PolarHBondContact O-N 2.88Å; T272-A275 WeakPolarHBondContact O-CA 3.48Å; T272-A275 VanDerWaalsContact O-CB 3.3Å; T272-A275 WeakPolarHBondContact O-CB 3.47Å; T272-A275 PolarHBondContact O-N 2.9Å; T272-A275 VanDerWaalsContact O-N 3.12Å; T272-N276 PolarHBondContact O-N 2.79Å
273E75.2Confident85.9Confident124 Ų12442.9 Ų42.958%0.57922%0.223SC*.Hα-helixtrans-62.9-42.2174.8-71.2177.2179.500110.2G270 A275 N276 H277G270-E273 PolarHBondContact O-N 2.84Å; E273-A275 VanDerWaalsContact C-N 3.33Å; E273-N276 PolarHBondContact O-N 3.1Å; E273-H277 PolarHBondContact O-N 3.45Å
274K81.5Confident85.7Confident115 Ų11546.5 Ų46.550%0.524%0.244SC..Hα-helixtrans-61.8-42.5171.1-62.1-174.5179.2-177.20111.2I102 L271 T272 N276 H277 Y278I102-K274 HydrophobicContact CD1-CD 4.45Å; I102-K274 HydrophobicContact CG2-CD 4.21Å; L271-K274 PolarHBondContact O-N 2.84Å; T272-K274 VanDerWaalsContact C-N 3.28Å; T272-K274 PolarHBondContact O-N 2.88Å; K274-N276 PolarHBondContact O-N 3.01Å; K274-H277 WeakPolarHBondContact O-CB 3.36Å; K274-H277 PolarHBondContact O-N 3.02Å; K274-H277 VanDerWaalsContact O-N 3.13Å; K274-Y278 HydrophobicContact CB-CE2 4.34Å; K274-Y278 WeakPolarHBondContact O-CD2 3.27Å; K274-Y278 PolarHBondContact O-N 3.49Å
275A82Confident85.6Confident1 Ų145.4 Ų45.41%0.00823%0.234CC..Hα-helixtrans-57.2-48.1177.900000112A241 L242 L271 T272 E273 H277 Y278 Y279A241-A275 WeakPolarHBondContact O-CB 3.18Å; L242-A275 HydrophobicContact CD1-CB 4.44Å; L242-A275 HydrophobicContact CD2-CB 3.46Å; L242-A275 VanDerWaalsContact CD2-CB 3.46Å; L242-A275 HydrophobicContact CG-CB 3.57Å; L271-A275 WeakPolarHBondContact O-CB 3.48Å; L271-A275 PolarHBondContact O-N 2.83Å; T272-A275 WeakPolarHBondContact O-CA 3.48Å; T272-A275 VanDerWaalsContact O-CB 3.3Å; T272-A275 WeakPolarHBondContact O-CB 3.47Å; T272-A275 PolarHBondContact O-N 2.9Å; T272-A275 VanDerWaalsContact O-N 3.12Å; E273-A275 VanDerWaalsContact C-N 3.33Å; A275-H277 VanDerWaalsContact C-N 3.28Å; A275-H277 PolarHBondContact O-N 2.83Å; A275-Y278 PolarHBondContact O-N 3.32Å; A275-Y278 VanDerWaalsContact O-N 3.1Å; A275-Y279 VanDerWaalsContact O-CD2 3.29Å; A275-Y279 WeakPolarHBondContact O-CD2 3.44Å; A275-Y279 PolarHBondContact O-N 2.91Å
276N84Confident85.5Confident28 Ų2845.5 Ų45.515%0.1523%0.234CC..Hα-helixtrans-61.1-37.9177.3-69.2-11.2000111.7T272 E273 K274 Y279 K280T272-N276 PolarHBondContact O-N 2.79Å; E273-N276 PolarHBondContact O-N 3.1Å; K274-N276 PolarHBondContact O-N 3.01Å; N276-Y279 PolarHBondContact O-N 3.23Å; N276-K280 WeakPolarHBondContact O-CG 3.22Å; N276-K280 PolarHBondContact O-N 3.17Å; N276-K280 VanDerWaalsContact O-N 3.11Å
277H88Confident85.4Confident112 Ų11245.1 Ų45.152%0.51923%0.234SC..Hα-helixtrans-60.5-43.5173.4-179.277.3000112.2E273 K274 A275 Y279 K280 L281E273-H277 PolarHBondContact O-N 3.45Å; K274-H277 WeakPolarHBondContact O-CB 3.36Å; K274-H277 PolarHBondContact O-N 3.02Å; K274-H277 VanDerWaalsContact O-N 3.13Å; A275-H277 VanDerWaalsContact C-N 3.28Å; A275-H277 PolarHBondContact O-N 2.83Å; H277-Y279 PolarHBondContact O-N 2.67Å; H277-K280 WeakPolarHBondContact O-CB 3.48Å; H277-K280 PolarHBondContact O-N 3.11Å; H277-K280 VanDerWaalsContact O-N 3.16Å; H277-L281 PolarHBondContact O-N 3.39Å
278Y90.6Very high85.5Confident43 Ų4350 Ų5017%0.16926%0.257CS..Hα-helixtrans-64.2-38.8176.1-74.6-64.2000113.6A98 I99 I102 K274 A275 K280 L281 F282A98-Y278 HydrophobicContact CB-CD1 4.14Å; A98-Y278 HydrophobicContact CB-CE1 3.74Å; I99-Y278 HydrophobicContact CD1-CG 4.44Å; I99-Y278 HydrophobicContact CG1-CD1 4.15Å; I99-Y278 HydrophobicContact CG1-CD2 4.12Å; I99-Y278 HydrophobicContact CG1-CG 3.87Å; I102-Y278 HydrophobicContact CD1-CE2 3.31Å; I102-Y278 VanDerWaalsContact CD1-CZ 3.46Å; I102-Y278 WeakPolarHBondContact CD1-OH 3.44Å; K274-Y278 HydrophobicContact CB-CE2 4.34Å; K274-Y278 WeakPolarHBondContact O-CD2 3.27Å; K274-Y278 PolarHBondContact O-N 3.49Å; A275-Y278 PolarHBondContact O-N 3.32Å; A275-Y278 VanDerWaalsContact O-N 3.1Å; Y278-K280 VanDerWaalsContact C-N 3.26Å; Y278-K280 PolarHBondContact O-N 3.07Å; Y278-L281 HydrophobicContact CD1-CD2 4.41Å; Y278-L281 PolarHBondContact O-N 3.06Å; Y278-F282 HydrophobicContact CD1-CD2 4.24Å; Y278-F282 AromaticContact CD1-CE2 3.88Å; Y278-F282 HydrophobicContact CD1-CE2 3.88Å; Y278-F282 WeakPolarHBondContact O-CD2 3.21Å; Y278-F282 PolarHBondContact O-N 2.86Å
279Y89.8Confident85.8Confident0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-62.1-34.9173.4-86.4-77000112.6L159 H186 L242 G243 Q246 A275 N276 H277 I283 T286 F300L159-Y279 HydrophobicContact CB-CE1 3.89Å; L159-Y279 HydrophobicContact CD1-CD1 4.21Å; L159-Y279 HydrophobicContact CD1-CE1 4.11Å; L159-Y279 HydrophobicContact CD2-CD1 3.84Å; L159-Y279 HydrophobicContact CD2-CD2 4.34Å; L159-Y279 HydrophobicContact CD2-CE1 3.96Å; L159-Y279 HydrophobicContact CD2-CE2 4.45Å; L159-Y279 HydrophobicContact CD2-CG 4.05Å; L159-Y279 HydrophobicContact CG-CD1 4.45Å; L159-Y279 HydrophobicContact CG-CE1 4.22Å; H186-Y279 AromaticContact CD2-CE1 3.56Å; H186-Y279 AromaticContact CD2-CZ 3.79Å; H186-Y279 PolarHBondContact CD2-OH 3.06Å; H186-Y279 PolarHBondContact NE2-OH 3.09Å; L242-Y279 HydrophobicContact CD2-CE2 4.34Å; G243-Y279 WeakPolarHBondContact CA-OH 3.47Å; G243-Y279 PolarHBondContact N-OH 3.21Å; Q246-Y279 HydrophobicContact CB-CE2 4.22Å; Q246-Y279 VanDerWaalsContact CD-CE2 3.48Å; Q246-Y279 HydrophobicContact CG-CD2 3.8Å; Q246-Y279 HydrophobicContact CG-CE2 3.49Å; Q246-Y279 VanDerWaalsContact CG-CE2 3.49Å; A275-Y279 VanDerWaalsContact O-CD2 3.29Å; A275-Y279 WeakPolarHBondContact O-CD2 3.44Å; A275-Y279 PolarHBondContact O-N 2.91Å; N276-Y279 PolarHBondContact O-N 3.23Å; H277-Y279 PolarHBondContact O-N 2.67Å; Y279-I283 WeakPolarHBondContact O-CA 3.5Å; Y279-I283 PolarHBondContact O-N 3.19Å; Y279-T286 HydrophobicContact CD1-CG2 4.25Å; Y279-F300 HydrophobicContact CD1-CD1 4.43Å; Y279-F300 AromaticContact CD1-CE1 3.62Å; Y279-F300 HydrophobicContact CD1-CE1 3.62Å; Y279-F300 HydrophobicContact CD1-CE2 4.14Å; Y279-F300 AromaticContact CD1-CZ 3.44Å; Y279-F300 HydrophobicContact CD1-CZ 3.44Å; Y279-F300 VanDerWaalsContact CD1-CZ 3.44Å; Y279-F300 HydrophobicContact CD2-CE1 4.33Å; Y279-F300 HydrophobicContact CE1-CE1 4.22Å; Y279-F300 HydrophobicContact CE1-CZ 4.22Å; Y279-F300 HydrophobicContact CG-CD1 4.04Å; Y279-F300 AromaticContact CG-CE1 3.68Å; Y279-F300 HydrophobicContact CG-CE1 3.68Å; Y279-F300 HydrophobicContact CG-CE2 4.3Å; Y279-F300 HydrophobicContact CG-CG 4.5Å; Y279-F300 AromaticContact CG-CZ 3.82Å; Y279-F300 HydrophobicContact CG-CZ 3.82Å
280K89.6Confident86.6Confident65 Ų6553.3 Ų53.328%0.28327%0.266SS..Hα-helixtrans-69-45.4173-63.9178.6-163.4-1660111.5N276 H277 Y278 I283 F294 N298 E301N276-K280 WeakPolarHBondContact O-CG 3.22Å; N276-K280 PolarHBondContact O-N 3.17Å; N276-K280 VanDerWaalsContact O-N 3.11Å; H277-K280 WeakPolarHBondContact O-CB 3.48Å; H277-K280 PolarHBondContact O-N 3.11Å; H277-K280 VanDerWaalsContact O-N 3.16Å; Y278-K280 VanDerWaalsContact C-N 3.26Å; Y278-K280 PolarHBondContact O-N 3.07Å; K280-I283 PolarHBondContact O-N 2.89Å; K280-F294 HydrophobicContact CB-CZ 4.49Å; K280-F294 HydrophobicContact CG-CE2 4.29Å; K280-N298 VanDerWaalsContact CD-ND2 3.27Å; K280-N298 WeakPolarHBondContact CD-ND2 3.14Å; K280-N298 WeakPolarHBondContact CE-ND2 3.44Å; K280-N298 WeakPolarHBondContact CG-ND2 3.38Å; K280-E301 VanDerWaalsContact NZ-CG 3.34Å; K280-E301 IonicContact NZ-OE1 2.67Å; K280-E301 PolarHBondContact NZ-OE1 2.84Å
281L91.9Very high87.4Confident103 Ų10357 Ų5754%0.53927%0.266SS..Hα-helixtrans-63.4-43.1-179.1-177.263.6000112H277 Y278H277-L281 PolarHBondContact O-N 3.39Å; Y278-L281 HydrophobicContact CD1-CD2 4.41Å; Y278-L281 PolarHBondContact O-N 3.06Å
282F93.8Very high88.2Confident29 Ų2962.2 Ų62.213%0.12729%0.288CS..THydrogen-bonded Turntrans-103.836-178.7-61.2-69000112.4H94 P95 A98 L159 Y278 T284 W285H94-F282 HydrophobicContact CB-CE1 4.09Å; P95-F282 HydrophobicContact CB-CB 4.37Å; P95-F282 HydrophobicContact CB-CD1 4.31Å; P95-F282 HydrophobicContact CB-CD2 3.89Å; P95-F282 HydrophobicContact CB-CE2 4.22Å; P95-F282 HydrophobicContact CB-CG 3.94Å; P95-F282 HydrophobicContact CG-CB 4.14Å; P95-F282 HydrophobicContact CG-CD1 3.86Å; P95-F282 HydrophobicContact CG-CD2 4.32Å; P95-F282 HydrophobicContact CG-CE1 4.34Å; P95-F282 HydrophobicContact CG-CG 3.85Å; A98-F282 HydrophobicContact CB-CE2 3.6Å; A98-F282 HydrophobicContact CB-CZ 3.78Å; L159-F282 HydrophobicContact CD1-CB 4.31Å; L159-F282 HydrophobicContact CD2-CB 4.2Å; L159-F282 HydrophobicContact CG-CB 4.47Å; Y278-F282 HydrophobicContact CD1-CD2 4.24Å; Y278-F282 AromaticContact CD1-CE2 3.88Å; Y278-F282 HydrophobicContact CD1-CE2 3.88Å; Y278-F282 WeakPolarHBondContact O-CD2 3.21Å; Y278-F282 PolarHBondContact O-N 2.86Å; F282-T284 PolarHBondContact O-N 3.21Å; F282-W285 HydrophobicContact CB-CB 4.47Å; F282-W285 HydrophobicContact CB-CG 4.45Å; F282-W285 WeakPolarHBondContact O-CB 3.23Å; F282-W285 PolarHBondContact O-N 3.15Å
283I92.4Very high89.1Confident24 Ų2463.9 Ų63.912%0.12330%0.298CS..G310 helixtrans-56.1-29.4-180-160.369.2000112.1Y279 K280 W285 T286 I290 R291 F294 F300Y279-I283 WeakPolarHBondContact O-CA 3.5Å; Y279-I283 PolarHBondContact O-N 3.19Å; K280-I283 PolarHBondContact O-N 2.89Å; I283-W285 PolarHBondContact O-N 3.31Å; I283-T286 HydrophobicContact CD1-CG2 4.29Å; I283-T286 WeakPolarHBondContact O-CB 3.47Å; I283-T286 PolarHBondContact O-N 3.4Å; I283-T286 VanDerWaalsContact O-N 3.08Å; I283-T286 PolarHBondContact O-OG1 3.25Å; I283-I290 HydrophobicContact CD1-CG2 3.47Å; I283-I290 VanDerWaalsContact CD1-CG2 3.47Å; I283-I290 HydrophobicContact CG1-CG2 4.35Å; I283-R291 WeakPolarHBondContact O-CG 3.48Å; I283-F294 HydrophobicContact CD1-CB 4.35Å; I283-F294 HydrophobicContact CD1-CD2 3.54Å; I283-F294 HydrophobicContact CD1-CE2 3.96Å; I283-F294 HydrophobicContact CD1-CG 4.01Å; I283-F294 HydrophobicContact CG1-CB 4.08Å; I283-F294 HydrophobicContact CG1-CD1 4.18Å; I283-F294 HydrophobicContact CG1-CD2 3.79Å; I283-F294 HydrophobicContact CG1-CE2 4.23Å; I283-F294 HydrophobicContact CG1-CG 3.76Å; I283-F300 HydrophobicContact CD1-CD2 4.35Å; I283-F300 HydrophobicContact CD1-CE2 3.84Å
284T92.1Very high89.5Confident93 Ų9361.2 Ų61.257%0.57129%0.285SS*.G310 helixtrans-63.2-21.6177.453.30000113.7F282F282-T284 PolarHBondContact O-N 3.21Å
285W93.9Very high89.5Confident23 Ų2362 Ų629%0.08730%0.299CS..G310 helixtrans-89.8-0.2177.6-68.272.8000113.5T93 H94 P95 L138 Y154 L159 F282 I283T93-W285 HydrophobicContact CG2-CH2 3.81Å; T93-W285 HydrophobicContact CG2-CZ3 3.85Å; H94-W285 HydrophobicContact CB-CZ2 4.33Å; P95-W285 HydrophobicContact CG-CB 4.4Å; P95-W285 HydrophobicContact CG-CD2 3.49Å; P95-W285 VanDerWaalsContact CG-CD2 3.49Å; P95-W285 HydrophobicContact CG-CE3 3.87Å; P95-W285 HydrophobicContact CG-CG 3.73Å; P95-W285 HydrophobicContact CG-CZ2 4.22Å; P95-W285 HydrophobicContact CG-CZ3 4.34Å; L138-W285 HydrophobicContact CD1-CD2 4.3Å; L138-W285 HydrophobicContact CD1-CE3 3.65Å; L138-W285 HydrophobicContact CD1-CH2 4.18Å; L138-W285 HydrophobicContact CD1-CZ3 3.61Å; L138-W285 HydrophobicContact CD2-CE3 4.41Å; L138-W285 HydrophobicContact CD2-CH2 4.09Å; L138-W285 HydrophobicContact CD2-CZ3 3.61Å; L138-W285 HydrophobicContact CG-CE3 3.97Å; L138-W285 HydrophobicContact CG-CH2 3.59Å; L138-W285 HydrophobicContact CG-CZ2 4.38Å; L138-W285 HydrophobicContact CG-CZ3 3.36Å; Y154-W285 WeakPolarHBondContact CE2-O 3.37Å; Y154-W285 PolarHBondContact OH-O 2.59Å; Y154-W285 VanDerWaalsContact OH-O 3.09Å; L159-W285 HydrophobicContact CD1-CB 3.77Å; F282-W285 HydrophobicContact CB-CB 4.47Å; F282-W285 HydrophobicContact CB-CG 4.45Å; F282-W285 WeakPolarHBondContact O-CB 3.23Å; F282-W285 PolarHBondContact O-N 3.15Å; I283-W285 PolarHBondContact O-N 3.31Å
286T93.7Very high89.4Confident3 Ų370.5 Ų70.52%0.01834%0.338CS..SBendtrans-87.8171.7173.769.30000111.6L159 H186 Y279 I283 I290 R291 F300L159-T286 HydrophobicContact CD1-CG2 4.34Å; H186-T286 WeakPolarHBondContact O-CA 3.35Å; H186-T286 WeakPolarHBondContact O-CB 3.24Å; Y279-T286 HydrophobicContact CD1-CG2 4.25Å; I283-T286 HydrophobicContact CD1-CG2 4.29Å; I283-T286 WeakPolarHBondContact O-CB 3.47Å; I283-T286 PolarHBondContact O-N 3.4Å; I283-T286 VanDerWaalsContact O-N 3.08Å; I283-T286 PolarHBondContact O-OG1 3.25Å; T286-I290 HydrophobicContact CG2-CG2 4.2Å; T286-I290 WeakPolarHBondContact OG1-CB 3.49Å; T286-I290 VanDerWaalsContact OG1-CG2 3.31Å; T286-I290 WeakPolarHBondContact OG1-CG2 3.48Å; T286-R291 PolarHBondContact O-NE 3.13Å; T286-R291 VanDerWaalsContact O-NE 3.09Å; T286-F300 HydrophobicContact CG2-CZ 4.43Å
287N92.4Very high89.3Confident22 Ų2273 Ų7312%0.11835%0.346CS..  trans-64.6165.7176.867.240000112.7D184 R185 H186 L187 K289 I290 R291D184-N287 PolarHBondContact O-ND2 3.09Å; D184-N287 VanDerWaalsContact O-ND2 3.1Å; R185-N287 VanDerWaalsContact C-ND2 3.25Å; R185-N287 PolarHBondContact O-ND2 3.3Å; H186-N287 PolarHBondContact O-N 3.02Å; H186-N287 VanDerWaalsContact O-N 3.14Å; L187-N287 PolarHBondContact O-ND2 2.71Å; N287-K289 PolarHBondContact O-N 3.12Å; N287-K289 WeakPolarHBondContact OD1-CB 3.11Å; N287-K289 PolarHBondContact OD1-N 2.78Å; N287-K289 VanDerWaalsContact OD1-N 3.1Å; N287-I290 PolarHBondContact O-N 2.71Å; N287-I290 WeakPolarHBondContact OD1-CG1 3.33Å; N287-I290 PolarHBondContact OD1-N 3.13Å; N287-R291 WeakPolarHBondContact O-CG 3.3Å; N287-R291 PolarHBondContact O-N 2.99Å; N287-R291 PolarHBondContact O-NE 3.47Å
288Q91Very high89.1Confident118 Ų11868.5 Ų68.555%0.55133%0.326SS*.Hα-helixtrans-62.4-29.1-177.6-162.3-174.719.600112.8K292Q288-K292 HydrophobicContact CG-CD 4.26Å; Q288-K292 WeakPolarHBondContact O-CB 3.43Å; Q288-K292 WeakPolarHBondContact O-CG 3.13Å; Q288-K292 PolarHBondContact O-N 3Å
289K90.4Very high88.8Confident137 Ų13768.7 Ų68.760%0.59633%0.329SS*.Hα-helixtrans-66.1-51.2179.6-176.5-179.1179.5178.70110.9N287 R291 K292 T293N287-K289 PolarHBondContact O-N 3.12Å; N287-K289 WeakPolarHBondContact OD1-CB 3.11Å; N287-K289 PolarHBondContact OD1-N 2.78Å; N287-K289 VanDerWaalsContact OD1-N 3.1Å; K289-R291 PolarHBondContact O-N 3.04Å; K289-K292 PolarHBondContact O-N 3.29Å; K289-T293 PolarHBondContact O-N 3.17Å; K289-T293 PolarHBondContact O-OG1 2.87Å; K289-T293 VanDerWaalsContact O-OG1 3.11Å
290I90.8Very high88.6Confident5 Ų568.9 Ų68.93%0.02633%0.329CS..Hα-helixtrans-59.9-46.9177.1-66.6-58.7000110.7R185 I283 T286 N287 K292 T293 F294 M299 F300R185-I290 WeakPolarHBondContact O-CG1 3.35Å; I283-I290 HydrophobicContact CD1-CG2 3.47Å; I283-I290 VanDerWaalsContact CD1-CG2 3.47Å; I283-I290 HydrophobicContact CG1-CG2 4.35Å; T286-I290 HydrophobicContact CG2-CG2 4.2Å; T286-I290 WeakPolarHBondContact OG1-CB 3.49Å; T286-I290 VanDerWaalsContact OG1-CG2 3.31Å; T286-I290 WeakPolarHBondContact OG1-CG2 3.48Å; N287-I290 PolarHBondContact O-N 2.71Å; N287-I290 WeakPolarHBondContact OD1-CG1 3.33Å; N287-I290 PolarHBondContact OD1-N 3.13Å; I290-K292 VanDerWaalsContact C-N 3.32Å; I290-K292 PolarHBondContact O-N 3.34Å; I290-T293 PolarHBondContact O-N 3.08Å; I290-F294 VanDerWaalsContact O-CB 3.32Å; I290-F294 WeakPolarHBondContact O-CB 3.03Å; I290-F294 PolarHBondContact O-N 3.18Å; I290-M299 HydrophobicContact CD1-CB 3.8Å; I290-M299 HydrophobicContact CD1-CG 3.76Å; I290-F300 HydrophobicContact CG2-CE2 3.82Å; I290-F300 HydrophobicContact CG2-CZ 4.3Å
291R90.3Very high88.5Confident119 Ų11970.8 Ų70.845%0.44934%0.339SS..Hα-helixtrans-55.6-44178.3-72.2-176.8-76.4170.2-3.9113I283 T286 N287 K289I283-R291 WeakPolarHBondContact O-CG 3.48Å; T286-R291 PolarHBondContact O-NE 3.13Å; T286-R291 VanDerWaalsContact O-NE 3.09Å; N287-R291 WeakPolarHBondContact O-CG 3.3Å; N287-R291 PolarHBondContact O-N 2.99Å; N287-R291 PolarHBondContact O-NE 3.47Å; K289-R291 PolarHBondContact O-N 3.04Å
292K89.8Confident88.3Confident135 Ų13567.6 Ų67.659%0.58732%0.321SS*.Hα-helixtrans-69-44.7178.2-74.6177.2175.7178.40112.3Q288 K289 I290 F294Q288-K292 HydrophobicContact CG-CD 4.26Å; Q288-K292 WeakPolarHBondContact O-CB 3.43Å; Q288-K292 WeakPolarHBondContact O-CG 3.13Å; Q288-K292 PolarHBondContact O-N 3Å; K289-K292 PolarHBondContact O-N 3.29Å; I290-K292 VanDerWaalsContact C-N 3.32Å; I290-K292 PolarHBondContact O-N 3.34Å; K292-F294 VanDerWaalsContact C-N 3.32Å; K292-F294 PolarHBondContact O-N 3.4Å
293T87.3Confident88.1Confident43 Ų4372.3 Ų72.326%0.26434%0.341SS..Hα-helixtrans-70.8-28.8-178.1-56.30000112.4K289 I290 V295 Q296 R297 M299K289-T293 PolarHBondContact O-N 3.17Å; K289-T293 PolarHBondContact O-OG1 2.87Å; K289-T293 VanDerWaalsContact O-OG1 3.11Å; I290-T293 PolarHBondContact O-N 3.08Å; T293-V295 PolarHBondContact O-N 2.78Å; T293-V295 VanDerWaalsContact O-N 3.1Å; T293-Q296 PolarHBondContact O-N 3.04Å; T293-R297 CarbonylContact C-O 3.58Å; T293-R297 PolarHBondContact O-N 3.46Å; T293-M299 HydrophobicContact CG2-CG 4.19Å; T293-M299 HydrophobicContact CG2-SD 4.19Å
294F85.2Confident88Confident68 Ų6874 Ų7430%0.29835%0.349SS..Hα-helixtrans-54.8-32.4-176.9-172.3-100.1000114K280 I283 I290 K292 Q296 R297 N298K280-F294 HydrophobicContact CB-CZ 4.49Å; K280-F294 HydrophobicContact CG-CE2 4.29Å; I283-F294 HydrophobicContact CD1-CB 4.35Å; I283-F294 HydrophobicContact CD1-CD2 3.54Å; I283-F294 HydrophobicContact CD1-CE2 3.96Å; I283-F294 HydrophobicContact CD1-CG 4.01Å; I283-F294 HydrophobicContact CG1-CB 4.08Å; I283-F294 HydrophobicContact CG1-CD1 4.18Å; I283-F294 HydrophobicContact CG1-CD2 3.79Å; I283-F294 HydrophobicContact CG1-CE2 4.23Å; I283-F294 HydrophobicContact CG1-CG 3.76Å; I290-F294 VanDerWaalsContact O-CB 3.32Å; I290-F294 WeakPolarHBondContact O-CB 3.03Å; I290-F294 PolarHBondContact O-N 3.18Å; K292-F294 VanDerWaalsContact C-N 3.32Å; K292-F294 PolarHBondContact O-N 3.4Å; F294-Q296 PolarHBondContact O-N 3.45Å; F294-R297 WeakPolarHBondContact CA-O 3.44Å; F294-N298 HydrophobicContact CD2-CB 4.4Å; F294-N298 HydrophobicContact CE2-CB 4.25Å
295V80Confident88Confident132 Ų13270.4 Ų70.480%0.833%0.326SS*.THydrogen-bonded Turntrans-62.5-31.5176.9-178.20000112.2T293T293-V295 PolarHBondContact O-N 2.78Å; T293-V295 VanDerWaalsContact O-N 3.1Å
296Q79.9Confident87.9Confident178 Ų17875.8 Ų75.883%0.83235%0.35SS*.THydrogen-bonded Turntrans-100.9-42.2-177.6-63.9177.3-800112.5T293 F294T293-Q296 PolarHBondContact O-N 3.04Å; F294-Q296 PolarHBondContact O-N 3.45Å
297R82.4Confident87.7Confident82 Ų8278.1 Ų78.131%0.30937%0.369SS..  trans-148.6129.2-177.8-179.1177.7176.7178.1-2.6110E253 E257 T293 F294 M299E253-R297 IonicContact OE1-NH2 2.69Å; E257-R297 IonicContact OE1-NH1 3.81Å; E257-R297 PolarHBondContact OE1-NH1 3.35Å; E257-R297 IonicContact OE1-NH2 3.95Å; E257-R297 IonicContact OE2-CZ 3.4Å; E257-R297 IonicContact OE2-NH1 2.89Å; E257-R297 PolarHBondContact OE2-NH1 3.06Å; E257-R297 IonicContact OE2-NH2 3.72Å; E257-R297 PolarHBondContact OE2-NH2 3.35Å; T293-R297 CarbonylContact C-O 3.58Å; T293-R297 PolarHBondContact O-N 3.46Å; F294-R297 WeakPolarHBondContact CA-O 3.44Å; R297-M299 PolarHBondContact O-N 3.47Å
298N83.8Confident87.6Confident17 Ų1777.1 Ų77.19%0.09136%0.364CS..  trans-76.7112.9173-168.6-16.3000110.6K280 F294 F300 E301K280-N298 VanDerWaalsContact CD-ND2 3.27Å; K280-N298 WeakPolarHBondContact CD-ND2 3.14Å; K280-N298 WeakPolarHBondContact CE-ND2 3.44Å; K280-N298 WeakPolarHBondContact CG-ND2 3.38Å; F294-N298 HydrophobicContact CD2-CB 4.4Å; F294-N298 HydrophobicContact CE2-CB 4.25Å; N298-F300 PolarHBondContact O-N 3.49Å; N298-F300 PolarHBondContact OD1-N 3.2Å; N298-E301 HydrophobicContact CB-CB 4.11Å; N298-E301 HydrophobicContact CB-CG 3.98Å; N298-E301 PolarHBondContact ND2-OE1 2.83Å; N298-E301 VanDerWaalsContact ND2-OE1 3.07Å; N298-E301 PolarHBondContact O-N 3.21Å; N298-E301 VanDerWaalsContact O-N 3.16Å
299M83.7Confident87.5Confident47 Ų4775.3 Ų75.323%0.23236%0.358CS..THydrogen-bonded Turntrans-71.1-8.9180-67.1-66.6-63.200113.7I250 I290 T293 R297 F302I250-M299 HydrophobicContact CG2-CE 3.67Å; I290-M299 HydrophobicContact CD1-CB 3.8Å; I290-M299 HydrophobicContact CD1-CG 3.76Å; T293-M299 HydrophobicContact CG2-CG 4.19Å; T293-M299 HydrophobicContact CG2-SD 4.19Å; R297-M299 PolarHBondContact O-N 3.47Å; M299-F302 VanDerWaalsContact O-CE1 3.28Å; M299-F302 WeakPolarHBondContact O-CE1 3.29Å
300F86.6Confident87.3Confident3 Ų376.7 Ų76.71%0.01336%0.359CS..THydrogen-bonded Turntrans-102.87.3175-53.6-76.4000112.6H186 Q246 I250 Y279 I283 T286 I290 N298H186-F300 HydrophobicContact CB-CE1 4.26Å; H186-F300 HydrophobicContact CB-CZ 4.14Å; Q246-F300 HydrophobicContact CB-CD1 4.49Å; Q246-F300 HydrophobicContact CB-CE1 4.19Å; Q246-F300 HydrophobicContact CG-CD1 4.27Å; Q246-F300 HydrophobicContact CG-CE1 4.31Å; I250-F300 HydrophobicContact CD1-CD1 4.49Å; I250-F300 HydrophobicContact CD1-CE1 4.02Å; Y279-F300 HydrophobicContact CD1-CD1 4.43Å; Y279-F300 AromaticContact CD1-CE1 3.62Å; Y279-F300 HydrophobicContact CD1-CE1 3.62Å; Y279-F300 HydrophobicContact CD1-CE2 4.14Å; Y279-F300 AromaticContact CD1-CZ 3.44Å; Y279-F300 HydrophobicContact CD1-CZ 3.44Å; Y279-F300 VanDerWaalsContact CD1-CZ 3.44Å; Y279-F300 HydrophobicContact CD2-CE1 4.33Å; Y279-F300 HydrophobicContact CE1-CE1 4.22Å; Y279-F300 HydrophobicContact CE1-CZ 4.22Å; Y279-F300 HydrophobicContact CG-CD1 4.04Å; Y279-F300 AromaticContact CG-CE1 3.68Å; Y279-F300 HydrophobicContact CG-CE1 3.68Å; Y279-F300 HydrophobicContact CG-CE2 4.3Å; Y279-F300 HydrophobicContact CG-CG 4.5Å; Y279-F300 AromaticContact CG-CZ 3.82Å; Y279-F300 HydrophobicContact CG-CZ 3.82Å; I283-F300 HydrophobicContact CD1-CD2 4.35Å; I283-F300 HydrophobicContact CD1-CE2 3.84Å; T286-F300 HydrophobicContact CG2-CZ 4.43Å; I290-F300 HydrophobicContact CG2-CE2 3.82Å; I290-F300 HydrophobicContact CG2-CZ 4.3Å; N298-F300 PolarHBondContact O-N 3.49Å; N298-F300 PolarHBondContact OD1-N 3.2Å
301E86.9Confident87.2Confident106 Ų10679.5 Ų79.550%0.49538%0.379SS..SBendtrans-103.496.1166.6-74.4171.6-16400108.7K280 N298K280-E301 VanDerWaalsContact NZ-CG 3.34Å; K280-E301 IonicContact NZ-OE1 2.67Å; K280-E301 PolarHBondContact NZ-OE1 2.84Å; N298-E301 HydrophobicContact CB-CB 4.11Å; N298-E301 HydrophobicContact CB-CG 3.98Å; N298-E301 PolarHBondContact ND2-OE1 2.83Å; N298-E301 VanDerWaalsContact ND2-OE1 3.07Å; N298-E301 PolarHBondContact O-N 3.21Å; N298-E301 VanDerWaalsContact O-N 3.16Å
302F88.2Confident87.3Confident35 Ų3577.7 Ų77.715%0.15437%0.373CS..  trans-83.6128.2-177-54.1-63.8000110.1C249 I250 E253 M299 I305C249-F302 HydrophobicContact CB-CD1 4.38Å; C249-F302 HydrophobicContact CB-CE1 3.72Å; C249-F302 HydrophobicContact CB-CE2 3.88Å; C249-F302 HydrophobicContact CB-CZ 3.44Å; C249-F302 VanDerWaalsContact CB-CZ 3.44Å; I250-F302 HydrophobicContact CG1-CE1 3.93Å; I250-F302 HydrophobicContact CG1-CZ 4.31Å; E253-F302 HydrophobicContact CB-CD1 4Å; E253-F302 HydrophobicContact CG-CD1 4.06Å; M299-F302 VanDerWaalsContact O-CE1 3.28Å; M299-F302 WeakPolarHBondContact O-CE1 3.29Å; F302-I305 HydrophobicContact CB-CB 3.64Å; F302-I305 HydrophobicContact CB-CD1 4.13Å; F302-I305 HydrophobicContact CB-CG1 3.92Å; F302-I305 HydrophobicContact CD1-CD1 4.02Å; F302-I305 HydrophobicContact CD2-CB 4.43Å; F302-I305 HydrophobicContact CD2-CD1 4.31Å; F302-I305 HydrophobicContact CG-CB 4.16Å; F302-I305 HydrophobicContact CG-CD1 3.88Å; F302-I305 HydrophobicContact CG-CG1 4.25Å
303K88.8Confident87.4Confident128 Ų12871.4 Ų71.456%0.55735%0.347SS*.SBendtrans-81-34.6177.4-59175.5-176.6170.70111.2E253 E257E253-K303 WeakPolarHBondContact OE1-CB 3.25Å; E253-K303 PolarHBondContact OE1-N 3.42Å; E253-K303 PolarHBondContact OE2-N 2.62Å; E257-K303 IonicContact OE1-NZ 3.81Å; E257-K303 PolarHBondContact OE1-NZ 3.15Å
304H91.9Very high87.6Confident59 Ų5974.3 Ų74.327%0.27336%0.36SS..SBendtrans-98.8-19-172-55.786.3000112.9E253 W256E253-H304 VanDerWaalsContact CD-ND1 3.33Å; E253-H304 IonicContact OE1-CE1 3.32Å; E253-H304 IonicContact OE1-CG 3.68Å; E253-H304 IonicContact OE1-ND1 3.56Å; E253-H304 PolarHBondContact OE1-ND1 3.02Å; E253-H304 WeakPolarHBondContact OE2-CB 3.39Å; E253-H304 IonicContact OE2-CG 3.43Å; E253-H304 PolarHBondContact OE2-N 2.84Å; E253-H304 IonicContact OE2-ND1 3.93Å; E253-H304 PolarHBondContact OE2-ND1 3.13Å; W256-H304 HydrophobicContact CB-CB 4.28Å; W256-H304 HydrophobicContact CG-CB 4.42Å
305I91.8Very high88Confident18 Ų1874 Ų749%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-94.3118.9-178.6-51.2-178.6000109.6C249 I265 F267 F302C249-I305 HydrophobicContact CB-CD1 3.59Å; I265-I305 HydrophobicContact CB-CG1 4.08Å; I265-I305 HydrophobicContact CD1-CG1 4.27Å; I265-I305 HydrophobicContact CG2-CB 4.35Å; I265-I305 HydrophobicContact CG2-CD1 4.33Å; I265-I305 HydrophobicContact CG2-CG1 3.83Å; I265-I305 HydrophobicContact CG2-CG2 4.09Å; I265-I305 WeakPolarHBondContact O-CA 3.41Å; F267-I305 HydrophobicContact CB-CG2 3.95Å; F302-I305 HydrophobicContact CB-CB 3.64Å; F302-I305 HydrophobicContact CB-CD1 4.13Å; F302-I305 HydrophobicContact CB-CG1 3.92Å; F302-I305 HydrophobicContact CD1-CD1 4.02Å; F302-I305 HydrophobicContact CD2-CB 4.43Å; F302-I305 HydrophobicContact CD2-CD1 4.31Å; F302-I305 HydrophobicContact CG-CB 4.16Å; F302-I305 HydrophobicContact CG-CD1 3.88Å; F302-I305 HydrophobicContact CG-CG1 4.25Å
306K91.1Very high88.5Confident137 Ų13773.8 Ų73.860%0.59636%0.363SS*.EExtended strand (participates in β ladder)trans-112.1162.2-177.3-62.4-178.3-178-1800112.1I265 Y266 F267 F308I265-K306 PolarHBondContact O-N 3.07Å; Y266-K306 CarbonylContact C-O 3.5Å; Y266-K306 WeakPolarHBondContact CA-O 3.37Å; Y266-K306 HydrophobicContact CD1-CB 4.06Å; Y266-K306 HydrophobicContact CE1-CB 4.33Å; F267-K306 PolarHBondContact N-O 3.45Å; K306-F308 PolarHBondContact O-N 3.42Å
307A90.3Very high89.2Confident51 Ų5167 Ų6742%0.42134%0.342SS..EExtended strand (participates in β ladder)trans-59.1134170.100000111.2Y266 T269Y266-A307 WeakPolarHBondContact CD1-O 3.03Å; T269-A307 HydrophobicContact CG2-CB 3.56Å
308F90.5Very high89.9Confident2 Ų265 Ų651%0.00934%0.339CS..EExtended strand (participates in β ladder)trans-86.2120.9175.4-173.3-107.7000111Y266 F267 T269 K306 Y312 A313 V321 I336Y266-F308 HydrophobicContact CD2-CD2 4.06Å; Y266-F308 AromaticContact CG-CD2 3.85Å; Y266-F308 HydrophobicContact CG-CD2 3.85Å; F267-F308 WeakPolarHBondContact O-CB 3.34Å; F267-F308 PolarHBondContact O-N 3.17Å; T269-F308 WeakPolarHBondContact CG2-O 3.41Å; T269-F308 PolarHBondContact OG1-O 2.79Å; K306-F308 PolarHBondContact O-N 3.42Å; F308-Y312 HydrophobicContact CD2-CD2 4.4Å; F308-A313 HydrophobicContact CZ-CB 3.95Å; F308-V321 HydrophobicContact CD1-CG1 4.46Å; F308-V321 HydrophobicContact CD2-CG1 3.94Å; F308-V321 HydrophobicContact CD2-CG2 3.87Å; F308-V321 HydrophobicContact CE2-CG1 4.09Å; F308-V321 HydrophobicContact CE2-CG2 3.68Å; F308-V321 HydrophobicContact CG-CG1 4.12Å; F308-V321 HydrophobicContact CZ-CG1 4.42Å; F308-V321 HydrophobicContact CZ-CG2 4.5Å; F308-I336 HydrophobicContact CD1-CD1 4.33Å; F308-I336 HydrophobicContact CE1-CD1 3.68Å; F308-I336 HydrophobicContact CE1-CG1 4.13Å; F308-I336 HydrophobicContact CZ-CD1 3.95Å; F308-I336 HydrophobicContact CZ-CG1 4.24Å
309D88.8Confident90.5Very high79 Ų7964.4 Ų64.442%0.42234%0.336SS..PPolyproline II helixtrans-89.2142.5164.4-169.6-74.7000110.1S311 Y312D309-S311 PolarHBondContact O-N 2.78Å; D309-S311 VanDerWaalsContact OD1-CB 3.29Å; D309-S311 WeakPolarHBondContact OD1-CB 3.17Å; D309-S311 PolarHBondContact OD1-N 3.5Å; D309-S311 PolarHBondContact OD1-OG 3.1Å; D309-Y312 HydrophobicContact CB-CD1 3.97Å; D309-Y312 HydrophobicContact CB-CD2 3.78Å; D309-Y312 HydrophobicContact CB-CE1 3.77Å; D309-Y312 HydrophobicContact CB-CE2 3.57Å; D309-Y312 HydrophobicContact CB-CG 3.97Å; D309-Y312 WeakPolarHBondContact O-CB 3.46Å; D309-Y312 PolarHBondContact O-N 3.48Å
310R85.4Confident91.2Very high166 Ų16662.2 Ų62.263%0.62633%0.325SS*.G310 helixtrans-59.6-30.5-178.7-69.5-177.5-177.2178.75.1113.1Y312 A313R310-Y312 PolarHBondContact O-N 3.2Å; R310-A313 WeakPolarHBondContact O-CB 3.37Å; R310-A313 PolarHBondContact O-N 3.41Å
311S87.9Confident91.6Very high64 Ų6462 Ų6245%0.44832%0.324SS..G310 helixtrans-63.6-28.117660.90000112.5D309 A313 D314D309-S311 PolarHBondContact O-N 2.78Å; D309-S311 VanDerWaalsContact OD1-CB 3.29Å; D309-S311 WeakPolarHBondContact OD1-CB 3.17Å; D309-S311 PolarHBondContact OD1-N 3.5Å; D309-S311 PolarHBondContact OD1-OG 3.1Å; S311-A313 PolarHBondContact O-N 3.26Å; S311-D314 PolarHBondContact O-N 3.23Å
312Y92.5Very high92Very high81 Ų8157 Ų5732%0.31830%0.301SS..G310 helixtrans-68.9-17.7-177.1-57.9-14.9000113.1Y266 F308 D309 R310 D314 N315 M319Y266-Y312 HydrophobicContact CD1-CD2 4.01Å; Y266-Y312 HydrophobicContact CD1-CE2 4.32Å; Y266-Y312 AromaticContact CE1-CD2 3.57Å; Y266-Y312 HydrophobicContact CE1-CD2 3.57Å; Y266-Y312 AromaticContact CE1-CE2 3.76Å; Y266-Y312 HydrophobicContact CE1-CE2 3.76Å; Y266-Y312 HydrophobicContact CE2-CD2 4.39Å; Y266-Y312 AromaticContact CZ-CD2 3.78Å; F308-Y312 HydrophobicContact CD2-CD2 4.4Å; D309-Y312 HydrophobicContact CB-CD1 3.97Å; D309-Y312 HydrophobicContact CB-CD2 3.78Å; D309-Y312 HydrophobicContact CB-CE1 3.77Å; D309-Y312 HydrophobicContact CB-CE2 3.57Å; D309-Y312 HydrophobicContact CB-CG 3.97Å; D309-Y312 WeakPolarHBondContact O-CB 3.46Å; D309-Y312 PolarHBondContact O-N 3.48Å; R310-Y312 PolarHBondContact O-N 3.2Å; Y312-D314 PolarHBondContact O-N 3.44Å; Y312-D314 VanDerWaalsContact O-N 3.16Å; Y312-N315 WeakPolarHBondContact O-CB 3.45Å; Y312-N315 PolarHBondContact O-N 3.17Å; Y312-N315 VanDerWaalsContact O-N 3.14Å; Y312-M319 WeakPolarHBondContact O-CE 3.25Å
313A91.6Very high92.2Very high4 Ų455.3 Ų55.33%0.03329%0.293CS..G310 helixtrans-55.3-33.617600000112.4K234 F308 R310 S311 K339 W340K234-A313 PolarHBondContact NZ-O 2.59Å; F308-A313 HydrophobicContact CZ-CB 3.95Å; R310-A313 WeakPolarHBondContact O-CB 3.37Å; R310-A313 PolarHBondContact O-N 3.41Å; S311-A313 PolarHBondContact O-N 3.26Å; A313-K339 HydrophobicContact CB-CD 3.91Å; A313-W340 PolarHBondContact O-NE1 3.26Å
314D92Very high92.1Very high103 Ų10350.9 Ų50.955%0.55128%0.277SS*.G310 helixtrans-94-8.7-174.5-54.4-44.8000112.4S311 Y312 K339S311-D314 PolarHBondContact O-N 3.23Å; Y312-D314 PolarHBondContact O-N 3.44Å; Y312-D314 VanDerWaalsContact O-N 3.16Å; D314-K339 WeakPolarHBondContact OD1-CD 3.06Å; D314-K339 IonicContact OD1-NZ 3.42Å; D314-K339 PolarHBondContact OD1-NZ 3.1Å; D314-K339 IonicContact OD2-NZ 3.7Å; D314-K339 PolarHBondContact OD2-NZ 3.1Å
315N93.3Very high91.8Very high63 Ų6349.1 Ų49.134%0.33727%0.271SS..  trans-58.9138.3179.3-74.3-5.8000111.2K234 Y312 M319K234-N315 VanDerWaalsContact CE-O 3.25Å; K234-N315 WeakPolarHBondContact CE-O 3.47Å; K234-N315 PolarHBondContact NZ-O 2.96Å; Y312-N315 WeakPolarHBondContact O-CB 3.45Å; Y312-N315 PolarHBondContact O-N 3.17Å; Y312-N315 VanDerWaalsContact O-N 3.14Å; N315-M319 HydrophobicContact CB-CE 3.93Å
316P91.6Very high91.6Very high126 Ų12648.6 Ų48.682%0.81827%0.27SS*.SBendtrans-70.1157.6175.530.4-34.7000111.1
317G93.9Very high91.5Very high37 Ų3742.5 Ų42.538%0.38124%0.243SC..SBendtrans90.9175.3177.200000114.6K234K234-G317 WeakPolarHBondContact CE-O 3.34Å
318P97Very high91.4Very high40 Ų4040 Ų4026%0.2622%0.223SC..  trans-76.2145.5-175.931.1-34.6000111.3I229 G233 A263 P264I229-P318 HydrophobicContact CB-CB 4.32Å; I229-P318 HydrophobicContact CG2-CB 3.91Å; I229-P318 HydrophobicContact CG2-CG 4.17Å; G233-P318 VanDerWaalsContact O-CA 3.31Å; G233-P318 WeakPolarHBondContact O-CA 3.09Å; G233-P318 VanDerWaalsContact O-CB 3.3Å; G233-P318 WeakPolarHBondContact O-CB 3.48Å; A263-P318 HydrophobicContact CB-CG 4.46Å; P264-P318 WeakPolarHBondContact CD-O 3.34Å
319M97.3Very high90.9Very high4 Ų443.5 Ų43.52%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-156.3157.2172.565.3-173.168.200110.4K234 V235 P264 Y266 Y312 N315 V321 W340K234-M319 WeakPolarHBondContact CA-O 3.48Å; K234-M319 HydrophobicContact CB-CG 4.21Å; K234-M319 HydrophobicContact CD-CE 4.28Å; K234-M319 HydrophobicContact CD-CG 4.14Å; K234-M319 HydrophobicContact CD-SD 4.25Å; K234-M319 HydrophobicContact CG-CG 4.03Å; V235-M319 PolarHBondContact N-O 3.5Å; P264-M319 HydrophobicContact CG-CB 3.95Å; P264-M319 WeakPolarHBondContact O-CA 3.37Å; Y266-M319 HydrophobicContact CD2-CB 4.43Å; Y266-M319 HydrophobicContact CE2-CB 4.3Å; Y266-M319 HydrophobicContact CE2-SD 4.43Å; Y312-M319 WeakPolarHBondContact O-CE 3.25Å; N315-M319 HydrophobicContact CB-CE 3.93Å; M319-V321 HydrophobicContact CG-CG2 4.16Å; M319-V321 HydrophobicContact SD-CG2 4.09Å; M319-W340 HydrophobicContact CG-CH2 3.82Å; M319-W340 HydrophobicContact CG-CZ2 4.15Å; M319-W340 HydrophobicContact SD-CH2 3.87Å; M319-W340 HydrophobicContact SD-CZ2 3.67Å
320V97.8Very high90.5Very high0 Ų040.8 Ų40.80%023%0.228CC..EExtended strand (participates in β ladder)trans-111.4130.2168.8-175.50000108.5V225 I229 V235 I237 L252 W256 P264 I265 Y266V225-V320 HydrophobicContact CG1-CG2 4Å; I229-V320 HydrophobicContact CD1-CG2 3.51Å; I229-V320 HydrophobicContact CG1-CG2 4.24Å; V235-V320 HydrophobicContact CB-CG1 4.34Å; V235-V320 HydrophobicContact CB-CG2 4.24Å; V235-V320 CarbonylContact O-C 3.48Å; V235-V320 WeakPolarHBondContact O-CA 3.46Å; I237-V320 HydrophobicContact CD1-CG1 3.76Å; I237-V320 HydrophobicContact CG1-CG1 4.34Å; L252-V320 HydrophobicContact CD1-CG1 3.91Å; W256-V320 HydrophobicContact CH2-CG2 3.84Å; W256-V320 HydrophobicContact CZ2-CG2 4.09Å; P264-V320 PolarHBondContact O-N 3.32Å; I265-V320 CarbonylContact C-O 3.56Å; I265-V320 WeakPolarHBondContact CA-O 3.21Å; I265-V320 HydrophobicContact CG1-CB 4.25Å; I265-V320 HydrophobicContact CG2-CB 4.2Å; I265-V320 HydrophobicContact CG2-CG1 4.39Å; Y266-V320 PolarHBondContact N-O 3.43Å
321V96.1Very high90.5Very high0 Ų034 Ų340%021%0.21CC..EExtended strand (participates in β ladder)trans-127.8118.3178-177.90000110.1V235 I237 Y266 F308 M319 A323 I336 W340V235-V321 PolarHBondContact O-N 2.73Å; I237-V321 PolarHBondContact N-O 3.02Å; Y266-V321 HydrophobicContact CD2-CG2 4.13Å; Y266-V321 WeakPolarHBondContact O-CA 3.22Å; F308-V321 HydrophobicContact CD1-CG1 4.46Å; F308-V321 HydrophobicContact CD2-CG1 3.94Å; F308-V321 HydrophobicContact CD2-CG2 3.87Å; F308-V321 HydrophobicContact CE2-CG1 4.09Å; F308-V321 HydrophobicContact CE2-CG2 3.68Å; F308-V321 HydrophobicContact CG-CG1 4.12Å; F308-V321 HydrophobicContact CZ-CG1 4.42Å; F308-V321 HydrophobicContact CZ-CG2 4.5Å; M319-V321 HydrophobicContact CG-CG2 4.16Å; M319-V321 HydrophobicContact SD-CG2 4.09Å; V321-A323 HydrophobicContact CG1-CB 4.37Å; V321-I336 HydrophobicContact CG1-CD1 3.74Å; V321-W340 HydrophobicContact CB-CH2 3.93Å; V321-W340 HydrophobicContact CB-CZ3 4.39Å; V321-W340 HydrophobicContact CG2-CH2 3.51Å; V321-W340 HydrophobicContact CG2-CZ2 4.27Å; V321-W340 HydrophobicContact CG2-CZ3 4.4Å
322F94.4Very high90.5Very high0 Ų032 Ų320%019%0.193CC..EExtended strand (participates in β ladder)trans-82.5126.4162.6-65.3-83.8000109.1I237 V239 L248 L252 I265 Y266 F267 S268I237-F322 HydrophobicContact CB-CD1 3.72Å; I237-F322 HydrophobicContact CB-CE1 3.96Å; I237-F322 HydrophobicContact CB-CG 4.49Å; I237-F322 HydrophobicContact CD1-CD1 4.14Å; I237-F322 HydrophobicContact CD1-CE1 3.58Å; I237-F322 HydrophobicContact CD1-CZ 3.81Å; I237-F322 HydrophobicContact CG1-CD1 4.47Å; I237-F322 HydrophobicContact CG1-CE1 4.35Å; I237-F322 HydrophobicContact CG2-CD1 3.86Å; I237-F322 HydrophobicContact CG2-CE1 3.84Å; I237-F322 WeakPolarHBondContact O-CA 3.49Å; V239-F322 HydrophobicContact CG1-CD1 4.24Å; V239-F322 HydrophobicContact CG2-CB 4.09Å; V239-F322 HydrophobicContact CG2-CD1 4.15Å; L248-F322 HydrophobicContact CB-CE1 3.59Å; L248-F322 HydrophobicContact CB-CZ 3.92Å; L248-F322 HydrophobicContact CD1-CE1 4.19Å; L252-F322 HydrophobicContact CD1-CE2 3.69Å; L252-F322 HydrophobicContact CD1-CZ 3.49Å; L252-F322 VanDerWaalsContact CD1-CZ 3.49Å; L252-F322 HydrophobicContact CG-CZ 4.22Å; I265-F322 HydrophobicContact CG2-CD2 4.16Å; I265-F322 HydrophobicContact CG2-CE2 3.92Å; Y266-F322 PolarHBondContact O-N 2.93Å; F267-F322 HydrophobicContact CD1-CB 4.21Å; F267-F322 HydrophobicContact CD2-CB 3.35Å; F267-F322 AromaticContact CD2-CD2 3.77Å; F267-F322 HydrophobicContact CD2-CD2 3.77Å; F267-F322 AromaticContact CD2-CG 3.71Å; F267-F322 HydrophobicContact CD2-CG 3.71Å; F267-F322 HydrophobicContact CE1-CB 4.1Å; F267-F322 HydrophobicContact CE2-CB 3.28Å; F267-F322 HydrophobicContact CE2-CD1 4.16Å; F267-F322 HydrophobicContact CE2-CD2 4.08Å; F267-F322 AromaticContact CE2-CG 3.6Å; F267-F322 HydrophobicContact CE2-CG 3.6Å; F267-F322 HydrophobicContact CG-CB 3.84Å; F267-F322 HydrophobicContact CZ-CB 3.67Å; F267-F322 HydrophobicContact CZ-CG 4.39Å; S268-F322 PolarHBondContact N-O 2.77Å
323A91.6Very high90.5Very high0 Ų028.1 Ų28.10%018%0.178CC..EExtended strand (participates in β ladder)trans-137.9146.2-177.200000112.6L236 I237 P238 V239 V321 I336L236-A323 HydrophobicContact CD1-CB 3.9Å; I237-A323 PolarHBondContact O-N 3.32Å; I237-A323 VanDerWaalsContact O-N 3.13Å; P238-A323 CarbonylContact C-O 3.53Å; P238-A323 VanDerWaalsContact CA-O 3.32Å; P238-A323 WeakPolarHBondContact CA-O 3.4Å; V239-A323 PolarHBondContact N-O 3.43Å; V321-A323 HydrophobicContact CG1-CB 4.37Å; A323-I336 HydrophobicContact CB-CD1 3.79Å
324T88Confident90.5Very high34 Ų3428.8 Ų28.821%0.20918%0.181CC..SBendtrans-100.9151.317760.60000111.5V239 A241 Q332 S333V239-T324 WeakPolarHBondContact O-CA 3.42Å; V239-T324 WeakPolarHBondContact O-CG2 3.47Å; A241-T324 HydrophobicContact CB-CG2 3.94Å; T324-Q332 PolarHBondContact O-N 2.71Å; T324-Q332 VanDerWaalsContact O-N 3.13Å; T324-S333 PolarHBondContact O-N 3.06Å; T324-S333 PolarHBondContact O-OG 2.73Å
325P85.9Confident90.5Very high22 Ų2228.5 Ų28.514%0.14318%0.176CC..  cis-82.8166.1-6.434.8-35.1000113.5V239 M327 H329 A330 S333V239-P325 CarbonylContact O-C 3.55Å; P325-M327 VanDerWaalsContact C-N 3.32Å; P325-M327 PolarHBondContact O-N 2.69Å; P325-H329 VanDerWaalsContact CB-CE1 3.48Å; P325-H329 WeakPolarHBondContact CB-CE1 2.77Å; P325-H329 WeakPolarHBondContact CG-CE1 3.45Å; P325-A330 WeakPolarHBondContact CD-O 3.4Å; P325-S333 WeakPolarHBondContact CD-OG 3.47Å; P325-S333 WeakPolarHBondContact O-CB 3.23Å; P325-S333 PolarHBondContact O-OG 2.83Å
326G87.6Confident90.5Very high7 Ų725.7 Ų25.77%0.07216%0.161CC..THydrogen-bonded Turntrans-67.9-18.3-172.200000117P238 V239 M350P238-G326 WeakPolarHBondContact CB-O 3.48Å; V239-G326 PolarHBondContact O-N 3.49Å; G326-M350 WeakPolarHBondContact O-CE 3.43Å
327M88.3Confident90.7Very high9 Ų919.7 Ų19.74%0.04412%0.122CC..THydrogen-bonded Turntrans-106.210.5-174.8-59-174.2-78.300114.3M37 F240 P325 H329 V355 T358 G360M37-M327 HydrophobicContact CB-CE 4.15Å; M37-M327 HydrophobicContact CG-CE 4.4Å; F240-M327 HydrophobicContact CE1-CE 4.44Å; F240-M327 HydrophobicContact CZ-CE 4.09Å; F240-M327 HydrophobicContact CZ-CG 4.07Å; F240-M327 HydrophobicContact CZ-SD 4.46Å; P325-M327 VanDerWaalsContact C-N 3.32Å; P325-M327 PolarHBondContact O-N 2.69Å; M327-H329 PolarHBondContact O-N 3.1Å; M327-H329 VanDerWaalsContact O-N 3.1Å; M327-V355 HydrophobicContact SD-CB 4.21Å; M327-V355 HydrophobicContact SD-CG2 3.99Å; M327-T358 HydrophobicContact CB-CG2 4.1Å; M327-T358 HydrophobicContact SD-CG2 4.22Å; M327-G360 PolarHBondContact O-N 3.3Å; M327-G360 VanDerWaalsContact O-N 3.1Å
328L88.6Confident90.8Very high0 Ų021.8 Ų21.80%012%0.121CC..SBendtrans56.922.3-178.9-60.5175000115.1L236 P238 F337 M350 I359 I363L236-L328 HydrophobicContact CD2-CD2 4.4Å; P238-L328 HydrophobicContact CB-CD2 3.97Å; P238-L328 HydrophobicContact CB-CG 4.22Å; P238-L328 HydrophobicContact CG-CD1 4.33Å; P238-L328 HydrophobicContact CG-CD2 3.55Å; P238-L328 HydrophobicContact CG-CG 3.92Å; L328-F337 HydrophobicContact CD1-CD2 4.09Å; L328-F337 HydrophobicContact CD1-CE2 4.44Å; L328-F337 HydrophobicContact CD1-CG 4.2Å; L328-F337 HydrophobicContact CD2-CB 4.03Å; L328-F337 HydrophobicContact CD2-CG 4.45Å; L328-M350 HydrophobicContact CD1-CE 4.32Å; L328-M350 HydrophobicContact CD1-SD 3.95Å; L328-M350 HydrophobicContact CG-CE 4.36Å; L328-M350 HydrophobicContact CG-SD 4.39Å; L328-I359 HydrophobicContact CB-CB 4.13Å; L328-I359 HydrophobicContact CB-CG2 4.13Å; L328-I359 WeakPolarHBondContact O-CB 3.35Å; L328-I363 HydrophobicContact CD1-CD1 3.6Å
329H78.3Confident90.7Very high75 Ų7525.1 Ų25.135%0.34713%0.131SC..SBendtrans-81-23.4-176.862.8-97000113.6P325 M327 T358P325-H329 VanDerWaalsContact CB-CE1 3.48Å; P325-H329 WeakPolarHBondContact CB-CE1 2.77Å; P325-H329 WeakPolarHBondContact CG-CE1 3.45Å; M327-H329 PolarHBondContact O-N 3.1Å; M327-H329 VanDerWaalsContact O-N 3.1Å; H329-T358 HydrophobicContact CB-CG2 4.36Å
330A81.1Confident90.6Very high21 Ų2125.3 Ų25.317%0.17413%0.132CC..SBendtrans-160.1-167.8-179.100000110.1P325 L334P325-A330 WeakPolarHBondContact CD-O 3.4Å; A330-L334 VanDerWaalsContact O-CB 3.31Å; A330-L334 WeakPolarHBondContact O-CB 3.49Å
331G85Confident90.5Very high24 Ų2425.3 Ų25.325%0.24713%0.132CC..Hα-helixtrans68.4-160.3163.900000115.6Q335G331-Q335 WeakPolarHBondContact O-CG 3.39Å; G331-Q335 PolarHBondContact O-N 3.5Å
332Q88.5Confident90.5Very high21 Ų2127.4 Ų27.410%0.09815%0.153CC..Hα-helixtrans-73.9-34.5-170.7-169.416950.600112T324 L334 Q335 I336T324-Q332 PolarHBondContact O-N 2.71Å; T324-Q332 VanDerWaalsContact O-N 3.13Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 2.9Å; Q332-Q335 PolarHBondContact O-N 2.8Å; Q332-I336 HydrophobicContact CG-CD1 3.85Å; Q332-I336 HydrophobicContact CG-CG1 4.3Å; Q332-I336 VanDerWaalsContact O-CG1 3.31Å; Q332-I336 WeakPolarHBondContact O-CG1 3.37Å; Q332-I336 PolarHBondContact O-N 2.84Å
333S92Very high90.6Very high0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-60.5-43.1176.967.10000111.7T324 P325 F337T324-S333 PolarHBondContact O-N 3.06Å; T324-S333 PolarHBondContact O-OG 2.73Å; P325-S333 WeakPolarHBondContact CD-OG 3.47Å; P325-S333 WeakPolarHBondContact O-CB 3.23Å; P325-S333 PolarHBondContact O-OG 2.83Å; S333-F337 VanDerWaalsContact O-CB 3.26Å; S333-F337 WeakPolarHBondContact O-CB 2.95Å; S333-F337 PolarHBondContact O-N 2.84Å
334L91.6Very high90.9Very high18 Ų1835.8 Ų35.89%0.09420%0.198CC..Hα-helixtrans-66.9-40.8174.9179.556.3000112.1A330 Q332 I336 F337 K338 I359A330-L334 VanDerWaalsContact O-CB 3.31Å; A330-L334 WeakPolarHBondContact O-CB 3.49Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 2.9Å; L334-I336 PolarHBondContact O-N 3.29Å; L334-F337 HydrophobicContact CD1-CD1 4.34Å; L334-F337 PolarHBondContact O-N 3.43Å; L334-K338 HydrophobicContact CD1-CD 4.47Å; L334-K338 HydrophobicContact CD1-CG 4.19Å; L334-K338 HydrophobicContact CG-CD 4.41Å; L334-K338 WeakPolarHBondContact O-CG 3.27Å; L334-K338 PolarHBondContact O-N 2.8Å; L334-I359 HydrophobicContact CD1-CD1 3.45Å; L334-I359 VanDerWaalsContact CD1-CD1 3.45Å; L334-I359 HydrophobicContact CD2-CD1 3.94Å; L334-I359 HydrophobicContact CG-CD1 4.35Å
335Q91.8Very high91.3Very high97 Ų9739.5 Ų39.545%0.45321%0.211SC..Hα-helixtrans-61.7-43.6177.5-73.2177.5-18.900112.2G331 Q332 K339G331-Q335 WeakPolarHBondContact O-CG 3.39Å; G331-Q335 PolarHBondContact O-N 3.5Å; Q332-Q335 PolarHBondContact O-N 2.8Å; Q335-K339 PolarHBondContact O-N 2.74Å
336I94.9Very high91.9Very high4 Ų438.8 Ų38.82%0.02121%0.206CC..Hα-helixtrans-66.8-45176.1-63.9162.5000110.2L236 F308 V321 A323 Q332 L334 K338 K339 W340L236-I336 HydrophobicContact CD1-CB 4.17Å; L236-I336 HydrophobicContact CD1-CD1 4.36Å; L236-I336 HydrophobicContact CD1-CG2 3.87Å; L236-I336 HydrophobicContact CD2-CB 4.44Å; L236-I336 HydrophobicContact CD2-CG2 4.22Å; F308-I336 HydrophobicContact CD1-CD1 4.33Å; F308-I336 HydrophobicContact CE1-CD1 3.68Å; F308-I336 HydrophobicContact CE1-CG1 4.13Å; F308-I336 HydrophobicContact CZ-CD1 3.95Å; F308-I336 HydrophobicContact CZ-CG1 4.24Å; V321-I336 HydrophobicContact CG1-CD1 3.74Å; A323-I336 HydrophobicContact CB-CD1 3.79Å; Q332-I336 HydrophobicContact CG-CD1 3.85Å; Q332-I336 HydrophobicContact CG-CG1 4.3Å; Q332-I336 VanDerWaalsContact O-CG1 3.31Å; Q332-I336 WeakPolarHBondContact O-CG1 3.37Å; Q332-I336 PolarHBondContact O-N 2.84Å; L334-I336 PolarHBondContact O-N 3.29Å; I336-K338 VanDerWaalsContact C-N 3.33Å; I336-K338 PolarHBondContact O-N 3.35Å; I336-K339 PolarHBondContact O-N 3.1Å; I336-K339 VanDerWaalsContact O-N 3.1Å; I336-W340 HydrophobicContact CG2-CD2 3.44Å; I336-W340 VanDerWaalsContact CG2-CD2 3.44Å; I336-W340 VanDerWaalsContact CG2-CE2 3.48Å; I336-W340 HydrophobicContact CG2-CE3 3.58Å; I336-W340 HydrophobicContact CG2-CG 4.08Å; I336-W340 HydrophobicContact CG2-CH2 3.81Å; I336-W340 HydrophobicContact CG2-CZ2 3.67Å; I336-W340 HydrophobicContact CG2-CZ3 3.75Å; I336-W340 PolarHBondContact O-N 2.87Å
337F95.9Very high92.4Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-55.3-47.8177.7177-100.5000111.7L236 L328 S333 L334 K339 W340 A341 V348 I359 I363 L370 L378 V380 L382L236-F337 HydrophobicContact CD2-CB 3.7Å; L236-F337 HydrophobicContact CD2-CD2 4.34Å; L328-F337 HydrophobicContact CD1-CD2 4.09Å; L328-F337 HydrophobicContact CD1-CE2 4.44Å; L328-F337 HydrophobicContact CD1-CG 4.2Å; L328-F337 HydrophobicContact CD2-CB 4.03Å; L328-F337 HydrophobicContact CD2-CG 4.45Å; S333-F337 VanDerWaalsContact O-CB 3.26Å; S333-F337 WeakPolarHBondContact O-CB 2.95Å; S333-F337 PolarHBondContact O-N 2.84Å; L334-F337 HydrophobicContact CD1-CD1 4.34Å; L334-F337 PolarHBondContact O-N 3.43Å; F337-K339 VanDerWaalsContact C-N 3.27Å; F337-K339 PolarHBondContact O-N 2.8Å; F337-W340 PolarHBondContact O-N 2.77Å; F337-W340 VanDerWaalsContact O-N 3.12Å; F337-A341 HydrophobicContact CE1-CB 4.38Å; F337-A341 HydrophobicContact CZ-CB 4.29Å; F337-A341 VanDerWaalsContact O-CB 3.22Å; F337-A341 WeakPolarHBondContact O-CB 3.47Å; F337-A341 PolarHBondContact O-N 3.04Å; F337-V348 HydrophobicContact CE2-CG1 4.28Å; F337-I359 HydrophobicContact CE1-CG2 4.26Å; F337-I363 HydrophobicContact CE2-CD1 3.97Å; F337-I363 HydrophobicContact CZ-CD1 4.19Å; F337-I363 HydrophobicContact CZ-CG2 3.98Å; F337-L370 HydrophobicContact CE1-CD1 3.84Å; F337-L370 HydrophobicContact CZ-CD1 4.24Å; F337-L378 HydrophobicContact CD1-CD2 4.15Å; F337-L378 HydrophobicContact CE1-CD2 3.79Å; F337-V380 HydrophobicContact CE1-CG2 4.37Å; F337-V380 HydrophobicContact CE2-CG1 4.43Å; F337-V380 HydrophobicContact CZ-CG1 4.06Å; F337-V380 HydrophobicContact CZ-CG2 3.85Å; F337-L382 HydrophobicContact CD2-CD2 4.28Å; F337-L382 HydrophobicContact CE2-CD1 4.22Å; F337-L382 HydrophobicContact CE2-CD2 4.17Å
338K94.4Very high92.8Very high82 Ų8238 Ų3836%0.35720%0.201SC..Hα-helixtrans-55.7-40.6177.1-74.7177.4178.8-171.80112.5L334 I336 M372 L378L334-K338 HydrophobicContact CD1-CD 4.47Å; L334-K338 HydrophobicContact CD1-CG 4.19Å; L334-K338 HydrophobicContact CG-CD 4.41Å; L334-K338 WeakPolarHBondContact O-CG 3.27Å; L334-K338 PolarHBondContact O-N 2.8Å; I336-K338 VanDerWaalsContact C-N 3.33Å; I336-K338 PolarHBondContact O-N 3.35Å; K338-M372 WeakPolarHBondContact CE-SD 3.15Å; K338-L378 HydrophobicContact CG-CD2 4.22Å
339K94.7Very high93.2Very high110 Ų11038 Ų3848%0.47820%0.201SC..Hα-helixtrans-71.3-35.5178.3-71.1-176.8166.9-158.80113A313 D314 Q335 I336 F337A313-K339 HydrophobicContact CB-CD 3.91Å; D314-K339 WeakPolarHBondContact OD1-CD 3.06Å; D314-K339 IonicContact OD1-NZ 3.42Å; D314-K339 PolarHBondContact OD1-NZ 3.1Å; D314-K339 IonicContact OD2-NZ 3.7Å; D314-K339 PolarHBondContact OD2-NZ 3.1Å; Q335-K339 PolarHBondContact O-N 2.74Å; I336-K339 PolarHBondContact O-N 3.1Å; I336-K339 VanDerWaalsContact O-N 3.1Å; F337-K339 VanDerWaalsContact C-N 3.27Å; F337-K339 PolarHBondContact O-N 2.8Å
340W96.5Very high94Very high7 Ų734.5 Ų34.53%0.02719%0.185CC..Hα-helixtrans-96.2-17.8-170.5-67.33.1000113.8K234 L236 A313 M319 V321 I336 F337 G342 N343 N346 L382K234-W340 HydrophobicContact CB-CD2 4.05Å; K234-W340 HydrophobicContact CB-CE3 3.72Å; K234-W340 HydrophobicContact CB-CH2 3.87Å; K234-W340 HydrophobicContact CB-CZ2 4.21Å; K234-W340 HydrophobicContact CB-CZ3 3.64Å; K234-W340 HydrophobicContact CD-CD2 3.97Å; K234-W340 VanDerWaalsContact CD-CE2 3.48Å; K234-W340 HydrophobicContact CD-CE3 4.46Å; K234-W340 HydrophobicContact CD-CG 4.48Å; K234-W340 HydrophobicContact CD-CH2 4.11Å; K234-W340 HydrophobicContact CD-CZ2 3.59Å; K234-W340 HydrophobicContact CG-CZ2 4.46Å; L236-W340 HydrophobicContact CB-CE3 3.91Å; L236-W340 HydrophobicContact CB-CZ3 3.92Å; A313-W340 PolarHBondContact O-NE1 3.26Å; M319-W340 HydrophobicContact CG-CH2 3.82Å; M319-W340 HydrophobicContact CG-CZ2 4.15Å; M319-W340 HydrophobicContact SD-CH2 3.87Å; M319-W340 HydrophobicContact SD-CZ2 3.67Å; V321-W340 HydrophobicContact CB-CH2 3.93Å; V321-W340 HydrophobicContact CB-CZ3 4.39Å; V321-W340 HydrophobicContact CG2-CH2 3.51Å; V321-W340 HydrophobicContact CG2-CZ2 4.27Å; V321-W340 HydrophobicContact CG2-CZ3 4.4Å; I336-W340 HydrophobicContact CG2-CD2 3.44Å; I336-W340 VanDerWaalsContact CG2-CD2 3.44Å; I336-W340 VanDerWaalsContact CG2-CE2 3.48Å; I336-W340 HydrophobicContact CG2-CE3 3.58Å; I336-W340 HydrophobicContact CG2-CG 4.08Å; I336-W340 HydrophobicContact CG2-CH2 3.81Å; I336-W340 HydrophobicContact CG2-CZ2 3.67Å; I336-W340 HydrophobicContact CG2-CZ3 3.75Å; I336-W340 PolarHBondContact O-N 2.87Å; F337-W340 PolarHBondContact O-N 2.77Å; F337-W340 VanDerWaalsContact O-N 3.12Å; W340-G342 VanDerWaalsContact C-N 3.25Å; W340-G342 PolarHBondContact O-N 2.98Å; W340-N343 PolarHBondContact O-N 3.2Å; W340-N346 PolarHBondContact O-ND2 3.23Å; W340-N346 VanDerWaalsContact O-ND2 3.08Å; W340-L382 HydrophobicContact CB-CD2 4.37Å
341A96.2Very high94.4Very high0 Ų033.9 Ų33.90%018%0.179CC..THydrogen-bonded Turntrans-53.8-36.4-174.400000114.3F337 N343 L378 D379 K381 L382F337-A341 HydrophobicContact CE1-CB 4.38Å; F337-A341 HydrophobicContact CZ-CB 4.29Å; F337-A341 VanDerWaalsContact O-CB 3.22Å; F337-A341 WeakPolarHBondContact O-CB 3.47Å; F337-A341 PolarHBondContact O-N 3.04Å; A341-N343 VanDerWaalsContact C-N 3.31Å; A341-N343 PolarHBondContact O-N 2.61Å; A341-L378 HydrophobicContact CB-CD1 4.1Å; A341-L378 HydrophobicContact CB-CD2 3.8Å; A341-L378 HydrophobicContact CB-CG 4Å; A341-D379 CarbonylContact C-O 3.4Å; A341-K381 WeakPolarHBondContact O-CA 3.43Å; A341-K381 PolarHBondContact O-N 3.25Å; A341-L382 VanDerWaalsContact CA-CD2 3.48Å; A341-L382 HydrophobicContact CB-CD2 4.44Å; A341-L382 PolarHBondContact O-N 3.19Å
342G95.6Very high94.4Very high44 Ų4433.7 Ų33.745%0.45418%0.177SC..THydrogen-bonded Turntrans-78.4-2.3-174.800000116.1W340 K381W340-G342 VanDerWaalsContact C-N 3.25Å; W340-G342 PolarHBondContact O-N 2.98Å; G342-K381 WeakPolarHBondContact O-CD 3.29Å
343N96.1Very high94Very high70 Ų7035.7 Ų35.737%0.37418%0.184SC..  trans-112.1121.1-178.1-178.2-21.8000110.6W340 A341 K345 N346 L382W340-N343 PolarHBondContact O-N 3.2Å; A341-N343 VanDerWaalsContact C-N 3.31Å; A341-N343 PolarHBondContact O-N 2.61Å; N343-K345 VanDerWaalsContact C-N 3.3Å; N343-K345 PolarHBondContact O-N 2.88Å; N343-K345 WeakPolarHBondContact OD1-CB 3.3Å; N343-K345 PolarHBondContact OD1-N 2.78Å; N343-N346 WeakPolarHBondContact O-CB 3.39Å; N343-N346 PolarHBondContact O-N 3.46Å; N343-L382 WeakPolarHBondContact O-CA 3.44Å; N343-L382 WeakPolarHBondContact O-CB 3.42Å
344D96.9Very high93.6Very high107 Ų10736 Ų3657%0.57219%0.186SC*.THydrogen-bonded Turntrans-70.5-19.9-176.260.8-6.8000114.2N346D344-N346 VanDerWaalsContact C-N 3.27Å; D344-N346 PolarHBondContact O-N 2.91Å
345K96.9Very high92.9Very high111 Ų11136.1 Ų36.148%0.48319%0.187SC..THydrogen-bonded Turntrans-70.2-27.5172.6-60.7-173.7177.7-173.30111.9R231 N343R231-K345 PolarHBondContact NE-O 3.05Å; R231-K345 PolarHBondContact NH2-O 2.76Å; R231-K345 VanDerWaalsContact NH2-O 3.08Å; N343-K345 VanDerWaalsContact C-N 3.3Å; N343-K345 PolarHBondContact O-N 2.88Å; N343-K345 WeakPolarHBondContact OD1-CB 3.3Å; N343-K345 PolarHBondContact OD1-N 2.78Å
346N98.1Very high92.2Very high7 Ų738.6 Ų38.64%0.03720%0.199CC..  trans-75.5163.3-177.3-64.9-18.1000111.6K234 W340 N343 D344 L382 Q383K234-N346 WeakPolarHBondContact CB-OD1 3.46Å; K234-N346 PolarHBondContact N-OD1 3Å; K234-N346 CarbonylContact O-C 3.48Å; K234-N346 VanDerWaalsContact O-CA 3.28Å; K234-N346 WeakPolarHBondContact O-CA 3.23Å; K234-N346 WeakPolarHBondContact O-CB 3.37Å; W340-N346 PolarHBondContact O-ND2 3.23Å; W340-N346 VanDerWaalsContact O-ND2 3.08Å; N343-N346 WeakPolarHBondContact O-CB 3.39Å; N343-N346 PolarHBondContact O-N 3.46Å; D344-N346 VanDerWaalsContact C-N 3.27Å; D344-N346 PolarHBondContact O-N 2.91Å; N346-L382 HydrophobicContact CB-CB 3.87Å; N346-L382 HydrophobicContact CB-CD2 4.41Å; N346-L382 WeakPolarHBondContact O-CB 3.12Å; N346-Q383 PolarHBondContact O-N 3.35Å
347M98.2Very high91.4Very high1 Ų141.1 Ų41.11%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-141.1144.4176.1-175.8174.558.200110.4K224 T228 K234 V235 L236 I349 Q383 E385K224-M347 HydrophobicContact CB-CE 4.07Å; K224-M347 HydrophobicContact CB-SD 4.17Å; K224-M347 WeakPolarHBondContact O-CE 3.16Å; T228-M347 HydrophobicContact CG2-CB 4.01Å; T228-M347 HydrophobicContact CG2-CE 4.42Å; T228-M347 VanDerWaalsContact OG1-CE 3.23Å; T228-M347 WeakPolarHBondContact OG1-CE 3.25Å; K234-M347 PolarHBondContact O-N 2.9Å; V235-M347 WeakPolarHBondContact CA-O 3.33Å; V235-M347 HydrophobicContact CG1-CE 3.95Å; V235-M347 HydrophobicContact CG2-CE 3.97Å; L236-M347 PolarHBondContact N-O 2.99Å; M347-I349 HydrophobicContact CE-CD1 3.56Å; M347-I349 HydrophobicContact CE-CG1 3.66Å; M347-I349 HydrophobicContact CG-CG1 4.17Å; M347-I349 HydrophobicContact SD-CD1 4.43Å; M347-I349 HydrophobicContact SD-CG1 4.04Å; M347-Q383 CarbonylContact C-O 3.58Å; M347-Q383 VanDerWaalsContact CA-O 3.27Å; M347-Q383 WeakPolarHBondContact CA-O 3.2Å; M347-Q383 HydrophobicContact CB-CB 4.19Å; M347-Q383 HydrophobicContact CG-CB 4Å; M347-Q383 WeakPolarHBondContact CG-O 3.32Å; M347-E385 HydrophobicContact CG-CG 4.23Å; M347-E385 HydrophobicContact SD-CB 4.34Å; M347-E385 HydrophobicContact SD-CG 3.74Å
348V97.9Very high90.9Very high0 Ų041.6 Ų41.60%023%0.229CC..EExtended strand (participates in β ladder)trans-112.2126.516368.80000108.5L236 P238 F337 M350 I363 L382 Q383 V384 E385L236-V348 HydrophobicContact CB-CB 4.48Å; L236-V348 HydrophobicContact CB-CG2 4.21Å; L236-V348 HydrophobicContact CD2-CG2 4.13Å; L236-V348 HydrophobicContact CG-CG2 4.16Å; L236-V348 CarbonylContact O-C 3.59Å; L236-V348 WeakPolarHBondContact O-CA 3.36Å; P238-V348 HydrophobicContact CG-CG2 3.82Å; F337-V348 HydrophobicContact CE2-CG1 4.28Å; V348-M350 HydrophobicContact CG2-SD 3.98Å; V348-I363 HydrophobicContact CG1-CD1 4Å; V348-L382 HydrophobicContact CB-CD1 3.92Å; V348-L382 HydrophobicContact CG1-CD1 3.45Å; V348-L382 VanDerWaalsContact CG1-CD1 3.45Å; V348-Q383 PolarHBondContact N-O 3.06Å; V348-V384 HydrophobicContact CG1-CB 4.13Å; V348-V384 HydrophobicContact CG1-CG1 4.02Å; V348-V384 HydrophobicContact CG1-CG2 3.86Å; V348-E385 PolarHBondContact O-N 2.96Å
349I97.1Very high90.7Very high0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-105.6115.6173.3-57.5178.2000107.8F221 V225 V235 L236 P238 M347 P351 E385 M387F221-I349 HydrophobicContact CD2-CD1 3.86Å; F221-I349 HydrophobicContact CD2-CG2 4.28Å; F221-I349 HydrophobicContact CE2-CD1 3.74Å; F221-I349 HydrophobicContact CE2-CG2 4.29Å; V225-I349 HydrophobicContact CG2-CD1 3.64Å; V235-I349 HydrophobicContact CG1-CD1 4.02Å; V235-I349 HydrophobicContact CG1-CG1 4.21Å; L236-I349 PolarHBondContact O-N 2.87Å; P238-I349 VanDerWaalsContact CD-O 3.24Å; P238-I349 WeakPolarHBondContact CD-O 3.34Å; M347-I349 HydrophobicContact CE-CD1 3.56Å; M347-I349 HydrophobicContact CE-CG1 3.66Å; M347-I349 HydrophobicContact CG-CG1 4.17Å; M347-I349 HydrophobicContact SD-CD1 4.43Å; M347-I349 HydrophobicContact SD-CG1 4.04Å; I349-P351 VanDerWaalsContact O-CD 3.31Å; I349-P351 WeakPolarHBondContact O-CD 3.13Å; I349-E385 CarbonylContact C-O 3.52Å; I349-E385 WeakPolarHBondContact CA-O 3.49Å; I349-E385 HydrophobicContact CG1-CB 4.4Å; I349-M387 HydrophobicContact CG2-CB 4.18Å; I349-M387 HydrophobicContact CG2-CG 4.04Å; I349-M387 HydrophobicContact CG2-SD 3.97Å
350M94.4Very high90.5Very high1 Ų133.7 Ų33.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-89.7109.3173.5-59.3-57.4-66.700109.1P238 G326 L328 V348 C354 I363 L364 E385 Y386 M387P238-M350 HydrophobicContact CB-CE 4.48Å; P238-M350 HydrophobicContact CB-SD 4.3Å; P238-M350 HydrophobicContact CG-SD 3.76Å; G326-M350 WeakPolarHBondContact O-CE 3.43Å; L328-M350 HydrophobicContact CD1-CE 4.32Å; L328-M350 HydrophobicContact CD1-SD 3.95Å; L328-M350 HydrophobicContact CG-CE 4.36Å; L328-M350 HydrophobicContact CG-SD 4.39Å; V348-M350 HydrophobicContact CG2-SD 3.98Å; M350-C354 WeakPolarHBondContact CE-SG 3.24Å; M350-I363 HydrophobicContact SD-CD1 4.42Å; M350-L364 HydrophobicContact CB-CD1 4.16Å; M350-L364 HydrophobicContact CB-CD2 3.94Å; M350-L364 HydrophobicContact CB-CG 4.39Å; M350-L364 HydrophobicContact CG-CD1 4.28Å; M350-L364 HydrophobicContact CG-CD2 3.81Å; M350-L364 HydrophobicContact CG-CG 4.1Å; M350-E385 PolarHBondContact N-O 3.08Å; M350-Y386 HydrophobicContact CB-CD2 4.47Å; M350-M387 PolarHBondContact O-N 2.6Å
351P90.1Very high90.2Very high8 Ų835.5 Ų35.55%0.05220%0.204CC..  trans-86-7.9-171.433.1-33.5000114I237 P238 V239 L248 I349 M387 F389 S390I237-P351 HydrophobicContact CG2-CG 4.35Å; P238-P351 WeakPolarHBondContact O-CD 3.31Å; P238-P351 VanDerWaalsContact O-CG 3.23Å; P238-P351 WeakPolarHBondContact O-CG 3.5Å; V239-P351 HydrophobicContact CG1-CG 3.82Å; L248-P351 HydrophobicContact CD1-CB 3.82Å; L248-P351 HydrophobicContact CD1-CG 4.33Å; I349-P351 VanDerWaalsContact O-CD 3.31Å; I349-P351 WeakPolarHBondContact O-CD 3.13Å; P351-M387 CarbonylContact C-O 3.57Å; P351-M387 VanDerWaalsContact CA-O 3.23Å; P351-M387 WeakPolarHBondContact CA-O 3.11Å; P351-F389 HydrophobicContact CB-CB 4.24Å; P351-F389 CarbonylContact O-C 3.57Å; P351-F389 VanDerWaalsContact O-CA 3.3Å; P351-F389 WeakPolarHBondContact O-CA 3.41Å; P351-F389 WeakPolarHBondContact O-CB 3.21Å; P351-F389 PolarHBondContact O-N 3.47Å; P351-S390 PolarHBondContact O-N 2.9Å
352G84.3Confident90Very high20 Ų2039.5 Ų39.521%0.20622%0.222CC..SBendtrans-150.4-178.7-17000000113.4
353Y81.6Confident89.9Confident63 Ų6337.4 Ų37.425%0.24720%0.2CC..  trans-64.4146.4179.3-177.2-112.7000111.4V15 Y206 V355 E416V15-Y353 HydrophobicContact CG1-CE1 4.02Å; Y206-Y353 WeakPolarHBondContact OH-CB 3.34Å; Y206-Y353 PolarHBondContact OH-N 2.93Å; Y353-V355 HydrophobicContact CD1-CG2 4.32Å; Y353-V355 HydrophobicContact CE1-CB 4.49Å; Y353-V355 HydrophobicContact CE1-CG2 3.92Å; Y353-E416 PolarHBondContact OH-OE1 2.9Å
354C81.8Confident89.7Confident5 Ų536.6 Ų36.63%0.03420%0.195CC..  trans-125.7119.1172.4-70.90000109.1M350 H361 L364M350-C354 WeakPolarHBondContact CE-SG 3.24Å; C354-H361 HydrophobicContact CB-CB 4.01Å; C354-H361 PolarHBondContact O-ND1 2.95Å; C354-H361 VanDerWaalsContact O-ND1 3.15Å; C354-L364 HydrophobicContact CB-CD1 4.34Å
355V76.9Confident89.5Confident21 Ų2137 Ų3713%0.12720%0.197CC..  trans-59.4143.4176.5179.90000110.1M327 Y353 T358 H361M327-V355 HydrophobicContact SD-CB 4.21Å; M327-V355 HydrophobicContact SD-CG2 3.99Å; Y353-V355 HydrophobicContact CD1-CG2 4.32Å; Y353-V355 HydrophobicContact CE1-CB 4.49Å; Y353-V355 HydrophobicContact CE1-CG2 3.92Å; V355-T358 HydrophobicContact CB-CG2 4.5Å; V355-T358 WeakPolarHBondContact O-CB 3.23Å; V355-T358 WeakPolarHBondContact O-CG2 3.23Å; V355-T358 PolarHBondContact O-N 3.35Å; V355-T358 PolarHBondContact O-OG1 2.94Å; V355-H361 WeakPolarHBondContact O-CB 3.39Å
356Q78.4Confident89.3Confident149 Ų14933.4 Ų33.470%0.69619%0.193SC*.THydrogen-bonded Turntrans-52.7141176-170.6177.11.400111.1
357G78.1Confident89.1Confident58 Ų5836.9 Ų36.960%0.59821%0.208SC*.THydrogen-bonded Turntrans92.4-19.4-177.500000114.8
358T85.1Confident88.8Confident9 Ų942.4 Ų42.46%0.05523%0.229CC..SBendtrans-74.2156.2175.964.70000112.8M327 H329 V355 G360 H361 K362M327-T358 HydrophobicContact CB-CG2 4.1Å; M327-T358 HydrophobicContact SD-CG2 4.22Å; H329-T358 HydrophobicContact CB-CG2 4.36Å; V355-T358 HydrophobicContact CB-CG2 4.5Å; V355-T358 WeakPolarHBondContact O-CB 3.23Å; V355-T358 WeakPolarHBondContact O-CG2 3.23Å; V355-T358 PolarHBondContact O-N 3.35Å; V355-T358 PolarHBondContact O-OG1 2.94Å; T358-G360 VanDerWaalsContact C-N 3.28Å; T358-G360 PolarHBondContact O-N 3.08Å; T358-H361 PolarHBondContact O-N 3.45Å; T358-H361 WeakPolarHBondContact OG1-CB 3.4Å; T358-H361 PolarHBondContact OG1-N 3.28Å; T358-K362 WeakPolarHBondContact O-CG 3.4Å; T358-K362 PolarHBondContact O-N 2.94Å; T358-K362 VanDerWaalsContact O-N 3.17Å
359I89.4Confident88.6Confident27 Ų2749.3 Ų49.314%0.13826%0.259CS..Hα-helixtrans-61.8-39.4174.1-68.4174.3000110.7L328 L334 F337 H361 K362 I363 L370 M372L328-I359 HydrophobicContact CB-CB 4.13Å; L328-I359 HydrophobicContact CB-CG2 4.13Å; L328-I359 WeakPolarHBondContact O-CB 3.35Å; L334-I359 HydrophobicContact CD1-CD1 3.45Å; L334-I359 VanDerWaalsContact CD1-CD1 3.45Å; L334-I359 HydrophobicContact CD2-CD1 3.94Å; L334-I359 HydrophobicContact CG-CD1 4.35Å; F337-I359 HydrophobicContact CE1-CG2 4.26Å; I359-H361 VanDerWaalsContact C-N 3.32Å; I359-H361 PolarHBondContact O-N 3.41Å; I359-K362 PolarHBondContact O-N 3.48Å; I359-I363 HydrophobicContact CG2-CG2 4.47Å; I359-I363 PolarHBondContact O-N 3.2Å; I359-I363 VanDerWaalsContact O-N 3.1Å; I359-L370 HydrophobicContact CG2-CD1 3.94Å; I359-M372 HydrophobicContact CD1-CE 4.33Å; I359-M372 HydrophobicContact CD1-SD 4.4Å
360G91.6Very high88.3Confident0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-55-46.7174.600000112.3M327 T358 K362 I363 L364M327-G360 PolarHBondContact O-N 3.3Å; M327-G360 VanDerWaalsContact O-N 3.1Å; T358-G360 VanDerWaalsContact C-N 3.28Å; T358-G360 PolarHBondContact O-N 3.08Å; G360-K362 PolarHBondContact O-N 2.96Å; G360-I363 VanDerWaalsContact O-CG1 3.23Å; G360-I363 WeakPolarHBondContact O-CG1 3.32Å; G360-I363 PolarHBondContact O-N 3.46Å; G360-L364 WeakPolarHBondContact O-CB 3.25Å; G360-L364 WeakPolarHBondContact O-CG 3.39Å; G360-L364 PolarHBondContact O-N 2.74Å
361H89.5Confident87.9Confident44 Ų4457.6 Ų57.620%0.20430%0.298CS..Hα-helixtrans-61.9-43.5176.9-175.892.4000112.6C354 V355 T358 I359 I363 L364 N365C354-H361 HydrophobicContact CB-CB 4.01Å; C354-H361 PolarHBondContact O-ND1 2.95Å; C354-H361 VanDerWaalsContact O-ND1 3.15Å; V355-H361 WeakPolarHBondContact O-CB 3.39Å; T358-H361 PolarHBondContact O-N 3.45Å; T358-H361 WeakPolarHBondContact OG1-CB 3.4Å; T358-H361 PolarHBondContact OG1-N 3.28Å; I359-H361 VanDerWaalsContact C-N 3.32Å; I359-H361 PolarHBondContact O-N 3.41Å; H361-I363 PolarHBondContact O-N 2.91Å; H361-L364 PolarHBondContact O-N 2.83Å; H361-N365 PolarHBondContact CD2-ND2 2.92Å; H361-N365 VanDerWaalsContact CD2-ND2 3.28Å; H361-N365 PolarHBondContact NE2-ND2 2.73Å; H361-N365 PolarHBondContact O-N 2.95Å; H361-N365 VanDerWaalsContact O-N 3.11Å
362K91.4Very high87.5Confident84 Ų8458.2 Ų58.237%0.36530%0.301SS..Hα-helixtrans-59.3-47.5179.1-69.7177.9-175.5-1770112.7T358 I359 G360 N365 Q367 L370T358-K362 WeakPolarHBondContact O-CG 3.4Å; T358-K362 PolarHBondContact O-N 2.94Å; T358-K362 VanDerWaalsContact O-N 3.17Å; I359-K362 PolarHBondContact O-N 3.48Å; G360-K362 PolarHBondContact O-N 2.96Å; K362-N365 PolarHBondContact O-N 2.82Å; K362-Q367 HydrophobicContact CB-CB 4.32Å; K362-Q367 WeakPolarHBondContact O-CB 3.48Å; K362-Q367 PolarHBondContact O-N 3.08Å; K362-Q367 VanDerWaalsContact O-N 3.11Å; K362-L370 HydrophobicContact CB-CD2 3.96Å; K362-L370 HydrophobicContact CD-CD2 4.33Å
363I94.3Very high86.9Confident1 Ų166 Ų661%0.00533%0.331CS..Hα-helixtrans-70.8-32.2-177.863.3172.9000112.9L328 F337 V348 M350 I359 G360 H361 N365 G366 R368 L370 V380 V384L328-I363 HydrophobicContact CD1-CD1 3.6Å; F337-I363 HydrophobicContact CE2-CD1 3.97Å; F337-I363 HydrophobicContact CZ-CD1 4.19Å; F337-I363 HydrophobicContact CZ-CG2 3.98Å; V348-I363 HydrophobicContact CG1-CD1 4Å; M350-I363 HydrophobicContact SD-CD1 4.42Å; I359-I363 HydrophobicContact CG2-CG2 4.47Å; I359-I363 PolarHBondContact O-N 3.2Å; I359-I363 VanDerWaalsContact O-N 3.1Å; G360-I363 VanDerWaalsContact O-CG1 3.23Å; G360-I363 WeakPolarHBondContact O-CG1 3.32Å; G360-I363 PolarHBondContact O-N 3.46Å; H361-I363 PolarHBondContact O-N 2.91Å; I363-N365 VanDerWaalsContact C-N 3.32Å; I363-G366 PolarHBondContact O-N 2.95Å; I363-G366 VanDerWaalsContact O-N 3.15Å; I363-R368 PolarHBondContact O-NH1 3.04Å; I363-L370 HydrophobicContact CG2-CD1 3.73Å; I363-L370 HydrophobicContact CG2-CD2 4.19Å; I363-L370 HydrophobicContact CG2-CG 4.39Å; I363-V380 HydrophobicContact CG2-CG2 4.39Å; I363-V384 HydrophobicContact CB-CG1 4.22Å; I363-V384 HydrophobicContact CB-CG2 4.33Å; I363-V384 HydrophobicContact CD1-CG1 4.02Å; I363-V384 HydrophobicContact CD1-CG2 4.44Å; I363-V384 HydrophobicContact CG1-CG1 4Å
364L92.4Very high86.3Confident52 Ų5266.7 Ų66.727%0.27236%0.358SS..Hα-helixtrans-65.6-36.4174.4-74.4179.7000111.6M350 C354 G360 H361 G366 V384 Y386M350-L364 HydrophobicContact CB-CD1 4.16Å; M350-L364 HydrophobicContact CB-CD2 3.94Å; M350-L364 HydrophobicContact CB-CG 4.39Å; M350-L364 HydrophobicContact CG-CD1 4.28Å; M350-L364 HydrophobicContact CG-CD2 3.81Å; M350-L364 HydrophobicContact CG-CG 4.1Å; C354-L364 HydrophobicContact CB-CD1 4.34Å; G360-L364 WeakPolarHBondContact O-CB 3.25Å; G360-L364 WeakPolarHBondContact O-CG 3.39Å; G360-L364 PolarHBondContact O-N 2.74Å; H361-L364 PolarHBondContact O-N 2.83Å; L364-G366 PolarHBondContact O-N 3.33Å; L364-G366 VanDerWaalsContact O-N 3.15Å; L364-V384 HydrophobicContact CD2-CG1 4.12Å; L364-Y386 HydrophobicContact CD1-CD2 4.16Å; L364-Y386 HydrophobicContact CD2-CD2 4.29Å; L364-Y386 HydrophobicContact CD2-CG 4.44Å
365N91.9Very high85.7Confident115 Ų11578.4 Ų78.462%0.61540%0.401SS*.THydrogen-bonded Turntrans-77.913.3173.6-68.2-16.9000113.7H361 K362 I363H361-N365 PolarHBondContact CD2-ND2 2.92Å; H361-N365 VanDerWaalsContact CD2-ND2 3.28Å; H361-N365 PolarHBondContact NE2-ND2 2.73Å; H361-N365 PolarHBondContact O-N 2.95Å; H361-N365 VanDerWaalsContact O-N 3.11Å; K362-N365 PolarHBondContact O-N 2.82Å; I363-N365 VanDerWaalsContact C-N 3.32Å
366G92.4Very high85.8Confident37 Ų3780.5 Ų80.538%0.38142%0.417SS..THydrogen-bonded Turntrans874.3174.300000115.1I363 L364 R368I363-G366 PolarHBondContact O-N 2.95Å; I363-G366 VanDerWaalsContact O-N 3.15Å; L364-G366 PolarHBondContact O-N 3.33Å; L364-G366 VanDerWaalsContact O-N 3.15Å; G366-R368 PolarHBondContact O-N 2.66Å; G366-R368 VanDerWaalsContact O-N 3.14Å; G366-R368 PolarHBondContact O-NH1 2.72Å
367Q93.6Very high86.3Confident79 Ų7978.3 Ų78.337%0.36941%0.414SS..  trans-66.2116.7178.1-167.3172.1-8.700110.5K362 K369 L370K362-Q367 HydrophobicContact CB-CB 4.32Å; K362-Q367 WeakPolarHBondContact O-CB 3.48Å; K362-Q367 PolarHBondContact O-N 3.08Å; K362-Q367 VanDerWaalsContact O-N 3.11Å; Q367-K369 WeakPolarHBondContact CG-O 3.48Å; Q367-K369 PolarHBondContact NE2-O 2.95Å; Q367-L370 HydrophobicContact CB-CD2 4.22Å; Q367-L370 HydrophobicContact CG-CD2 3.86Å
368R93.4Very high87Confident118 Ų11877 Ų7745%0.44539%0.393SS..  trans-100.6-16.6-178.8-63.7-66.2176.9-97.12.1114.3I363 G366 V380I363-R368 PolarHBondContact O-NH1 3.04Å; G366-R368 PolarHBondContact O-N 2.66Å; G366-R368 VanDerWaalsContact O-N 3.14Å; G366-R368 PolarHBondContact O-NH1 2.72Å; R368-V380 VanDerWaalsContact CD-O 3.27Å; R368-V380 WeakPolarHBondContact CD-O 3.37Å; R368-V380 WeakPolarHBondContact O-CB 3.49Å; R368-V380 PolarHBondContact O-N 3.5Å
369K93.3Very high87.4Confident145 Ų14580 Ų8063%0.6341%0.409SS*.EExtended strand (participates in β ladder)trans-117.4116.7173-65.7-166.1173.1-176.60109.2Q367 D379Q367-K369 WeakPolarHBondContact CG-O 3.48Å; Q367-K369 PolarHBondContact NE2-O 2.95Å; K369-D379 WeakPolarHBondContact CE-OD1 3.49Å; K369-D379 WeakPolarHBondContact CG-OD1 3.48Å
370L91.1Very high87.8Confident3 Ų379 Ų792%0.01640%0.404CS..EExtended strand (participates in β ladder)trans-111.2127.4-178.1-58.3171.4000110F337 I359 K362 I363 Q367 M372 T377 L378 V380F337-L370 HydrophobicContact CE1-CD1 3.84Å; F337-L370 HydrophobicContact CZ-CD1 4.24Å; I359-L370 HydrophobicContact CG2-CD1 3.94Å; K362-L370 HydrophobicContact CB-CD2 3.96Å; K362-L370 HydrophobicContact CD-CD2 4.33Å; I363-L370 HydrophobicContact CG2-CD1 3.73Å; I363-L370 HydrophobicContact CG2-CD2 4.19Å; I363-L370 HydrophobicContact CG2-CG 4.39Å; Q367-L370 HydrophobicContact CB-CD2 4.22Å; Q367-L370 HydrophobicContact CG-CD2 3.86Å; L370-M372 HydrophobicContact CB-CE 3.48Å; L370-M372 VanDerWaalsContact CB-CE 3.48Å; L370-M372 HydrophobicContact CD1-CE 3.74Å; L370-M372 HydrophobicContact CG-CE 4.29Å; L370-T377 WeakPolarHBondContact O-CA 3.5Å; L370-L378 HydrophobicContact CB-CB 4.49Å; L370-L378 PolarHBondContact N-O 2.99Å; L370-L378 PolarHBondContact O-N 3.05Å; L370-V380 HydrophobicContact CD1-CG2 3.7Å; L370-V380 HydrophobicContact CG-CG2 4.01Å
371E85.9Confident88Confident171 Ų17185.2 Ų85.280%0.79943%0.431SS*.EExtended strand (participates in β ladder)trans-75.3127.6167.5-66.8-175.9171.900109.7
372M80.6Confident88.4Confident22 Ų2283.3 Ų83.311%0.10842%0.422CS..EExtended strand (participates in β ladder)trans-107.7161.5177.7-62.7-71.4153.500110K338 I359 L370 G374 R375 S376 L378K338-M372 WeakPolarHBondContact CE-SD 3.15Å; I359-M372 HydrophobicContact CD1-CE 4.33Å; I359-M372 HydrophobicContact CD1-SD 4.4Å; L370-M372 HydrophobicContact CB-CE 3.48Å; L370-M372 VanDerWaalsContact CB-CE 3.48Å; L370-M372 HydrophobicContact CD1-CE 3.74Å; L370-M372 HydrophobicContact CG-CE 4.29Å; M372-G374 PolarHBondContact O-N 3.04Å; M372-R375 PolarHBondContact O-N 2.99Å; M372-S376 WeakPolarHBondContact CB-O 3.32Å; M372-S376 WeakPolarHBondContact CB-OG 3.22Å; M372-S376 PolarHBondContact N-O 3.45Å; M372-L378 HydrophobicContact CE-CB 3.83Å; M372-L378 HydrophobicContact CE-CD2 3.66Å; M372-L378 HydrophobicContact CE-CG 4.41Å; M372-L378 HydrophobicContact CG-CB 4.09Å
373E71.7Confident88.6Confident182 Ų18283.1 Ų83.185%0.8542%0.423SS*.THydrogen-bonded Turntrans-50.7133171.1-69.3175.2165.200110.6
374G68.8Low88.8Confident78 Ų7884.3 Ų84.380%0.80443%0.43SS*.THydrogen-bonded Turntrans86.421.2-176.700000115.9M372 S376M372-G374 PolarHBondContact O-N 3.04Å; G374-S376 PolarHBondContact O-N 2.77Å
375R69.1Low88.9Confident251 Ų25184.4 Ų84.495%0.94743%0.429SS*.THydrogen-bonded Turntrans61.520.1178.1-59.2-176.8177.4177.2-0.6114.9M372M372-R375 PolarHBondContact O-N 2.99Å
376S80.3Confident89Confident66 Ų6683.7 Ų83.746%0.46242%0.418SS..EExtended strand (participates in β ladder)trans-84.9138.2172.457.50000110.3M372 G374M372-S376 WeakPolarHBondContact CB-O 3.32Å; M372-S376 WeakPolarHBondContact CB-OG 3.22Å; M372-S376 PolarHBondContact N-O 3.45Å; G374-S376 PolarHBondContact O-N 2.77Å
377T88.1Confident88.8Confident103 Ų10382.5 Ų82.563%0.63240%0.403SS*.EExtended strand (participates in β ladder)trans-100.5128.2175.951.30000110.1L370L370-T377 WeakPolarHBondContact O-CA 3.5Å
378L92.3Very high88.5Confident31 Ų3179.6 Ų79.616%0.16239%0.392CS..EExtended strand (participates in β ladder)trans-101.2119.4173.5-175.370.8000110.2F337 K338 A341 L370 M372F337-L378 HydrophobicContact CD1-CD2 4.15Å; F337-L378 HydrophobicContact CE1-CD2 3.79Å; K338-L378 HydrophobicContact CG-CD2 4.22Å; A341-L378 HydrophobicContact CB-CD1 4.1Å; A341-L378 HydrophobicContact CB-CD2 3.8Å; A341-L378 HydrophobicContact CB-CG 4Å; L370-L378 HydrophobicContact CB-CB 4.49Å; L370-L378 PolarHBondContact N-O 2.99Å; L370-L378 PolarHBondContact O-N 3.05Å; M372-L378 HydrophobicContact CE-CB 3.83Å; M372-L378 HydrophobicContact CE-CD2 3.66Å; M372-L378 HydrophobicContact CE-CG 4.41Å; M372-L378 HydrophobicContact CG-CB 4.09Å
379D94.7Very high88.3Confident71 Ų7174.2 Ų74.238%0.3837%0.371SS..EExtended strand (participates in β ladder)trans-83.1118.2171.3-73.9-30.6000110.4A341 K369 K381A341-D379 CarbonylContact C-O 3.4Å; K369-D379 WeakPolarHBondContact CE-OD1 3.49Å; K369-D379 WeakPolarHBondContact CG-OD1 3.48Å; D379-K381 PolarHBondContact O-N 3.15Å
380V96.4Very high87.8Confident6 Ų667.8 Ų67.84%0.03635%0.345CS..  trans-91.796.7177.1-173.30000108.8F337 I363 R368 L370 L382 V384F337-V380 HydrophobicContact CE1-CG2 4.37Å; F337-V380 HydrophobicContact CE2-CG1 4.43Å; F337-V380 HydrophobicContact CZ-CG1 4.06Å; F337-V380 HydrophobicContact CZ-CG2 3.85Å; I363-V380 HydrophobicContact CG2-CG2 4.39Å; R368-V380 VanDerWaalsContact CD-O 3.27Å; R368-V380 WeakPolarHBondContact CD-O 3.37Å; R368-V380 WeakPolarHBondContact O-CB 3.49Å; R368-V380 PolarHBondContact O-N 3.5Å; L370-V380 HydrophobicContact CD1-CG2 3.7Å; L370-V380 HydrophobicContact CG-CG2 4.01Å; V380-L382 HydrophobicContact CG1-CD1 4.2Å; V380-L382 HydrophobicContact CG1-CG 4.29Å; V380-V384 HydrophobicContact CG1-CG2 4.01Å
381K96.9Very high87.6Confident131 Ų13168.2 Ų68.257%0.5735%0.349SS*.  trans-98.3-23.6175.9-63.3-177-178.1174.80113.2A341 G342 D379A341-K381 WeakPolarHBondContact O-CA 3.43Å; A341-K381 PolarHBondContact O-N 3.25Å; G342-K381 WeakPolarHBondContact O-CD 3.29Å; D379-K381 PolarHBondContact O-N 3.15Å
382L97Very high87.9Confident4 Ų461.4 Ų61.42%0.02132%0.317CS..SBendtrans-60.7157.4175.766.670.5000112F337 W340 A341 N343 N346 V348 V380 V384F337-L382 HydrophobicContact CD2-CD2 4.28Å; F337-L382 HydrophobicContact CE2-CD1 4.22Å; F337-L382 HydrophobicContact CE2-CD2 4.17Å; W340-L382 HydrophobicContact CB-CD2 4.37Å; A341-L382 VanDerWaalsContact CA-CD2 3.48Å; A341-L382 HydrophobicContact CB-CD2 4.44Å; A341-L382 PolarHBondContact O-N 3.19Å; N343-L382 WeakPolarHBondContact O-CA 3.44Å; N343-L382 WeakPolarHBondContact O-CB 3.42Å; N346-L382 HydrophobicContact CB-CB 3.87Å; N346-L382 HydrophobicContact CB-CD2 4.41Å; N346-L382 WeakPolarHBondContact O-CB 3.12Å; V348-L382 HydrophobicContact CB-CD1 3.92Å; V348-L382 HydrophobicContact CG1-CD1 3.45Å; V348-L382 VanDerWaalsContact CG1-CD1 3.45Å; V380-L382 HydrophobicContact CG1-CD1 4.2Å; V380-L382 HydrophobicContact CG1-CG 4.29Å; L382-V384 HydrophobicContact CD1-CG2 3.84Å
383Q97.4Very high88.5Confident80 Ų8060.4 Ų60.437%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-72.6129.1176.3-65.7178.2-5.100110.3N346 M347 V348N346-Q383 PolarHBondContact O-N 3.35Å; M347-Q383 CarbonylContact C-O 3.58Å; M347-Q383 VanDerWaalsContact CA-O 3.27Å; M347-Q383 WeakPolarHBondContact CA-O 3.2Å; M347-Q383 HydrophobicContact CB-CB 4.19Å; M347-Q383 HydrophobicContact CG-CB 4Å; M347-Q383 WeakPolarHBondContact CG-O 3.32Å; V348-Q383 PolarHBondContact N-O 3.06Å
384V96.9Very high89.6Confident25 Ų2552.4 Ų52.415%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-108.1113.1177.4-1780000108.3V348 I363 L364 V380 L382V348-V384 HydrophobicContact CG1-CB 4.13Å; V348-V384 HydrophobicContact CG1-CG1 4.02Å; V348-V384 HydrophobicContact CG1-CG2 3.86Å; I363-V384 HydrophobicContact CB-CG1 4.22Å; I363-V384 HydrophobicContact CB-CG2 4.33Å; I363-V384 HydrophobicContact CD1-CG1 4.02Å; I363-V384 HydrophobicContact CD1-CG2 4.44Å; I363-V384 HydrophobicContact CG1-CG1 4Å; L364-V384 HydrophobicContact CD2-CG1 4.12Å; V380-V384 HydrophobicContact CG1-CG2 4.01Å; L382-V384 HydrophobicContact CD1-CG2 3.84Å
385E95.7Very high90.8Very high55 Ų5548.7 Ų48.726%0.25724%0.237SC..EExtended strand (participates in β ladder)trans-116.2127.6-177.7-73.5-66.2152.500110.4K224 M347 V348 I349 M350K224-E385 HydrophobicContact CD-CG 3.99Å; K224-E385 IonicContact NZ-OE2 2.6Å; K224-E385 PolarHBondContact NZ-OE2 3.4Å; M347-E385 HydrophobicContact CG-CG 4.23Å; M347-E385 HydrophobicContact SD-CB 4.34Å; M347-E385 HydrophobicContact SD-CG 3.74Å; V348-E385 PolarHBondContact O-N 2.96Å; I349-E385 CarbonylContact C-O 3.52Å; I349-E385 WeakPolarHBondContact CA-O 3.49Å; I349-E385 HydrophobicContact CG1-CB 4.4Å; M350-E385 PolarHBondContact N-O 3.08Å
386Y92.5Very high92Very high100 Ų10043.5 Ų43.539%0.39222%0.221SC..EExtended strand (participates in β ladder)trans-94127.6167.2177.6-109.1000109.6Y206 M350 L364Y206-Y386 PolarHBondContact OH-OH 3.05Å; M350-Y386 HydrophobicContact CB-CD2 4.47Å; L364-Y386 HydrophobicContact CD1-CD2 4.16Å; L364-Y386 HydrophobicContact CD2-CD2 4.29Å; L364-Y386 HydrophobicContact CD2-CG 4.44Å
387M89.6Confident92.8Very high11 Ų1140.5 Ų40.55%0.05420%0.201CC..  trans-130.2115.6171.2-66.8-172.2178.400109.2F221 K224 I349 M350 P351 F389F221-M387 WeakPolarHBondContact CA-SD 3.08Å; F221-M387 HydrophobicContact CB-CE 4.44Å; F221-M387 HydrophobicContact CB-SD 3.57Å; F221-M387 VanDerWaalsContact CB-SD 3.57Å; F221-M387 HydrophobicContact CD2-SD 3.61Å; F221-M387 HydrophobicContact CG-SD 4.08Å; K224-M387 HydrophobicContact CB-CE 4.03Å; K224-M387 HydrophobicContact CD-CE 3.35Å; K224-M387 HydrophobicContact CG-CE 3.84Å; I349-M387 HydrophobicContact CG2-CB 4.18Å; I349-M387 HydrophobicContact CG2-CG 4.04Å; I349-M387 HydrophobicContact CG2-SD 3.97Å; M350-M387 PolarHBondContact O-N 2.6Å; P351-M387 CarbonylContact C-O 3.57Å; P351-M387 VanDerWaalsContact CA-O 3.23Å; P351-M387 WeakPolarHBondContact CA-O 3.11Å; M387-F389 HydrophobicContact CB-CD2 3.7Å; M387-F389 HydrophobicContact CB-CE2 3.69Å; M387-F389 HydrophobicContact CG-CE2 4.48Å; M387-F389 PolarHBondContact O-N 2.86Å; M387-F389 HydrophobicContact SD-CE2 3.97Å
388S86.7Confident93.2Very high19 Ų1935.6 Ų35.613%0.13317%0.171CC..  trans-69.680.3-179.6174.70000111.2R211 R217 S390R211-S388 PolarHBondContact NE-OG 3.45Å; R211-S388 VanDerWaalsContact NE-OG 3.12Å; R217-S388 WeakPolarHBondContact CD-O 3.22Å; R217-S388 PolarHBondContact NH1-O 3.44Å; S388-S390 VanDerWaalsContact C-N 3.31Å
389F88.3Confident93.5Very high5 Ų534.2 Ų34.22%0.02216%0.164CC..  trans-97.823.6163.3-70.9-82.8000110.9R217 E218 F221 R244 L248 P351 M387R217-F389 HydrophobicContact CB-CZ 4.43Å; E218-F389 HydrophobicContact CG-CE1 4.24Å; F221-F389 HydrophobicContact CB-CE2 3.67Å; F221-F389 HydrophobicContact CB-CZ 3.5Å; F221-F389 HydrophobicContact CD1-CZ 4.39Å; F221-F389 AromaticContact CD2-CE2 3.78Å; F221-F389 HydrophobicContact CD2-CE2 3.78Å; F221-F389 HydrophobicContact CD2-CZ 4.26Å; F221-F389 AromaticContact CG-CE2 3.8Å; F221-F389 HydrophobicContact CG-CE2 3.8Å; F221-F389 AromaticContact CG-CZ 3.81Å; F221-F389 HydrophobicContact CG-CZ 3.81Å; R244-F389 WeakPolarHBondContact CD-O 3.44Å; R244-F389 HydrophobicContact CG-CB 4.36Å; R244-F389 PolarHBondContact NE-O 3.1Å; R244-F389 PolarHBondContact NH2-O 3.36Å; L248-F389 HydrophobicContact CD2-CD1 3.93Å; L248-F389 HydrophobicContact CD2-CD2 4.1Å; L248-F389 HydrophobicContact CD2-CE1 4.08Å; L248-F389 HydrophobicContact CD2-CE2 4.24Å; L248-F389 HydrophobicContact CD2-CG 3.95Å; L248-F389 HydrophobicContact CD2-CZ 4.24Å; P351-F389 HydrophobicContact CB-CB 4.24Å; P351-F389 CarbonylContact O-C 3.57Å; P351-F389 VanDerWaalsContact O-CA 3.3Å; P351-F389 WeakPolarHBondContact O-CA 3.41Å; P351-F389 WeakPolarHBondContact O-CB 3.21Å; P351-F389 PolarHBondContact O-N 3.47Å; M387-F389 HydrophobicContact CB-CD2 3.7Å; M387-F389 HydrophobicContact CB-CE2 3.69Å; M387-F389 HydrophobicContact CG-CE2 4.48Å; M387-F389 PolarHBondContact O-N 2.86Å; M387-F389 HydrophobicContact SD-CE2 3.97Å
390S84.7Confident93.6Very high10 Ų1034.7 Ų34.77%0.0716%0.163CC..  trans-56143174.3170.50000112.2Y206 R211 P351 S388 H392Y206-S390 WeakPolarHBondContact CE2-OG 3.25Å; Y206-S390 VanDerWaalsContact OH-CB 3.27Å; Y206-S390 WeakPolarHBondContact OH-CB 3.23Å; Y206-S390 PolarHBondContact OH-OG 3.11Å; R211-S390 PolarHBondContact NH1-O 2.9Å; R211-S390 VanDerWaalsContact NH2-CB 3.34Å; R211-S390 PolarHBondContact NH2-OG 3.42Å; R211-S390 VanDerWaalsContact NH2-OG 3.17Å; P351-S390 PolarHBondContact O-N 2.9Å; S388-S390 VanDerWaalsContact C-N 3.31Å; S390-H392 VanDerWaalsContact C-N 3.35Å; S390-H392 PolarHBondContact OG-CD2 2.98Å; S390-H392 PolarHBondContact OG-N 3.29Å
391A85.6Confident93.7Very high12 Ų1234.4 Ų34.410%0.09916%0.162CC..  trans-90.87.4175.900000113.5H157 N180H157-A391 WeakPolarHBondContact ND1-CB 3.36Å; H157-A391 PolarHBondContact ND1-O 3.27Å; N180-A391 VanDerWaalsContact CB-O 3.31Å; N180-A391 WeakPolarHBondContact CB-O 3.07Å
392H92.5Very high93.8Very high28 Ų2828.4 Ų28.413%0.1314%0.136CC..SBendtrans-88.2159179.6-65.3-102.1000111.1H157 D178 Y179 E203 T205 Y206 R211 S390 D394H157-H392 AromaticContact CE1-CD2 3.79Å; H157-H392 AromaticContact CE1-CE1 3.77Å; H157-H392 AromaticContact CE1-NE2 3.6Å; D178-H392 IonicContact OD1-CE1 2.95Å; D178-H392 IonicContact OD1-ND1 2.76Å; D178-H392 PolarHBondContact OD1-ND1 3.04Å; D178-H392 IonicContact OD2-CE1 3.42Å; D178-H392 PolarHBondContact OD2-CE1 3.2Å; D178-H392 IonicContact OD2-ND1 3.26Å; D178-H392 PolarHBondContact OD2-ND1 2.81Å; D178-H392 IonicContact OD2-NE2 3.15Å; Y179-H392 CarbonylContact O-C 3.59Å; Y179-H392 VanDerWaalsContact O-C 3.24Å; Y179-H392 WeakPolarHBondContact O-CA 3.43Å; E203-H392 IonicContact OE1-ND1 3.81Å; E203-H392 WeakPolarHBondContact OE2-CB 3.38Å; E203-H392 IonicContact OE2-CE1 2.72Å; E203-H392 IonicContact OE2-CG 2.8Å; E203-H392 IonicContact OE2-ND1 3.72Å; E203-H392 PolarHBondContact OE2-ND1 3.31Å; T205-H392 HydrophobicContact CG2-CB 4.46Å; T205-H392 PolarHBondContact OG1-ND1 3.21Å; Y206-H392 HydrophobicContact CD2-CB 3.75Å; Y206-H392 HydrophobicContact CE2-CB 3.96Å; R211-H392 PolarHBondContact NH1-O 3.42Å; R211-H392 PolarHBondContact NH2-O 2.87Å; S390-H392 VanDerWaalsContact C-N 3.35Å; S390-H392 PolarHBondContact OG-CD2 2.98Å; S390-H392 PolarHBondContact OG-N 3.29Å; H392-D394 PolarHBondContact O-N 3.35Å
393A93.8Very high93.8Very high1 Ų134.3 Ų34.31%0.00816%0.158CC..PPolyproline II helixtrans-66.5134.1175.700000109.8Y179 E203 Y206 I398Y179-A393 HydrophobicContact CD1-CB 4.3Å; Y179-A393 HydrophobicContact CD2-CB 3.9Å; Y179-A393 HydrophobicContact CE1-CB 3.94Å; Y179-A393 HydrophobicContact CE2-CB 3.5Å; Y179-A393 HydrophobicContact CG-CB 4.29Å; Y179-A393 PolarHBondContact O-N 2.85Å; E203-A393 PolarHBondContact OE1-N 3.28Å; Y206-A393 WeakPolarHBondContact CB-O 3.18Å; A393-I398 HydrophobicContact CB-CG1 3.83Å
394D93.6Very high93.8Very high13 Ų1332.9 Ų32.97%0.0715%0.152CC..BIsolated β-bridgetrans-87.1173.5168.774.1-10.8000110T209 R211 H392 K396 G397 I398T209-D394 WeakPolarHBondContact O-CB 3.41Å; R211-D394 WeakPolarHBondContact CB-OD2 3.49Å; R211-D394 HydrophobicContact CG-CB 4.02Å; R211-D394 PolarHBondContact N-OD2 3.35Å; H392-D394 PolarHBondContact O-N 3.35Å; D394-K396 PolarHBondContact O-N 2.78Å; D394-K396 PolarHBondContact OD1-N 3.12Å; D394-G397 WeakPolarHBondContact O-CA 3.23Å; D394-G397 PolarHBondContact O-N 3.47Å; D394-G397 PolarHBondContact OD1-N 2.99Å; D394-I398 WeakPolarHBondContact O-CG1 3.35Å; D394-I398 PolarHBondContact O-N 2.76Å
395A94.2Very high93.9Very high1 Ų131.7 Ų31.71%0.00815%0.145CC..Hα-helixtrans-53.7-33.6-178.500000112.5Y206 A207 T209 I210 M399Y206-A395 PolarHBondContact O-N 3.25Å; A207-A395 VanDerWaalsContact O-CB 3.28Å; A207-A395 WeakPolarHBondContact O-CB 3.22Å; T209-A395 WeakPolarHBondContact O-CB 3.49Å; T209-A395 PolarHBondContact O-N 3.11Å; I210-A395 HydrophobicContact CG1-CB 4.38Å; A395-M399 WeakPolarHBondContact O-CG 3.26Å; A395-M399 PolarHBondContact O-N 3.4Å
396K95.2Very high94Very high141 Ų14132.6 Ų32.661%0.61315%0.149SC*.Hα-helixtrans-70.8-43.6176.6-177.2179.9177.1179.40111.8D394 I398 M399 Q400D394-K396 PolarHBondContact O-N 2.78Å; D394-K396 PolarHBondContact OD1-N 3.12Å; K396-I398 VanDerWaalsContact C-N 3.35Å; K396-M399 PolarHBondContact O-N 3.02Å; K396-Q400 WeakPolarHBondContact O-CB 3.24Å; K396-Q400 PolarHBondContact O-N 3.13Å
397G96.4Very high94.2Very high3 Ų328.1 Ų28.13%0.03113%0.132CC..Hα-helixtrans-60.1-43.2175.700000112.2M181 D394 Q400 L401M181-G397 WeakPolarHBondContact CG-O 3.32Å; D394-G397 WeakPolarHBondContact O-CA 3.23Å; D394-G397 PolarHBondContact O-N 3.47Å; D394-G397 PolarHBondContact OD1-N 2.99Å; G397-Q400 WeakPolarHBondContact O-CB 3.35Å; G397-Q400 PolarHBondContact O-N 2.71Å; G397-Q400 VanDerWaalsContact O-N 3.12Å; G397-L401 PolarHBondContact O-N 3.17Å
398I97.6Very high94.6Very high0 Ų033.7 Ų33.70%015%0.152CC..Hα-helixtrans-60.7-51178.6-59.9164.9000110.8Y179 A393 D394 K396 Q400 L401 I402 L423Y179-I398 VanDerWaalsContact OH-CA 3.31Å; Y179-I398 WeakPolarHBondContact OH-CA 3.46Å; Y179-I398 WeakPolarHBondContact OH-CG1 3.49Å; A393-I398 HydrophobicContact CB-CG1 3.83Å; D394-I398 WeakPolarHBondContact O-CG1 3.35Å; D394-I398 PolarHBondContact O-N 2.76Å; K396-I398 VanDerWaalsContact C-N 3.35Å; I398-Q400 PolarHBondContact O-N 2.89Å; I398-L401 PolarHBondContact O-N 3.5Å; I398-L401 VanDerWaalsContact O-N 3.1Å; I398-I402 HydrophobicContact CG2-CD1 4.17Å; I398-I402 WeakPolarHBondContact O-CG1 3.27Å; I398-I402 PolarHBondContact O-N 3.23Å; I398-I402 VanDerWaalsContact O-N 3.11Å; I398-L423 HydrophobicContact CD1-CD2 3.74Å; I398-L423 HydrophobicContact CG2-CD2 4.17Å
399M97.6Very high95.1Very high3 Ų333.7 Ų33.72%0.01515%0.151CC..Hα-helixtrans-61.3-30.3176.5-56.3-62.7-77.500112.5A395 K396 I402 R403 L423 K426 I427 E430 F431A395-M399 WeakPolarHBondContact O-CG 3.26Å; A395-M399 PolarHBondContact O-N 3.4Å; K396-M399 PolarHBondContact O-N 3.02Å; M399-I402 HydrophobicContact SD-CD1 4.39Å; M399-R403 WeakPolarHBondContact O-CG 3.39Å; M399-R403 PolarHBondContact O-N 3.47Å; M399-R403 PolarHBondContact O-NH1 2.96Å; M399-L423 HydrophobicContact SD-CD1 4.28Å; M399-K426 HydrophobicContact CE-CD 4.37Å; M399-K426 HydrophobicContact CE-CG 3.96Å; M399-K426 HydrophobicContact SD-CD 4.44Å; M399-K426 HydrophobicContact SD-CG 4.43Å; M399-I427 HydrophobicContact SD-CG1 3.76Å; M399-E430 HydrophobicContact CE-CB 3.69Å; M399-E430 HydrophobicContact CE-CG 4.17Å; M399-E430 WeakPolarHBondContact CE-OE2 3.36Å; M399-F431 HydrophobicContact CB-CE2 4.46Å; M399-F431 HydrophobicContact CB-CZ 4.37Å; M399-F431 HydrophobicContact CE-CD2 4.01Å; M399-F431 HydrophobicContact CE-CE2 3.26Å; M399-F431 HydrophobicContact CE-CZ 3.86Å; M399-F431 HydrophobicContact SD-CE2 3.79Å
400Q97.6Very high95.6Very high80 Ų8033.4 Ų33.437%0.37415%0.15SC..Hα-helixtrans-69.5-40.3175.5-174.4-176.1-1900112.1M181 K396 G397 I398 R403 M404M181-Q400 HydrophobicContact CE-CB 4.2Å; M181-Q400 HydrophobicContact CE-CG 3.74Å; M181-Q400 HydrophobicContact CG-CB 4.49Å; K396-Q400 WeakPolarHBondContact O-CB 3.24Å; K396-Q400 PolarHBondContact O-N 3.13Å; G397-Q400 WeakPolarHBondContact O-CB 3.35Å; G397-Q400 PolarHBondContact O-N 2.71Å; G397-Q400 VanDerWaalsContact O-N 3.12Å; I398-Q400 PolarHBondContact O-N 2.89Å; Q400-R403 PolarHBondContact O-N 3.19Å; Q400-M404 PolarHBondContact O-N 3.37Å; Q400-M404 VanDerWaalsContact O-N 3.11Å
401L98.2Very high96.2Very high1 Ų133 Ų331%0.00515%0.147CC..Hα-helixtrans-66.9-39.9177.6-172.868.9000111.3M163 T176 Y179 M181 I192 G397 I398 R403 M404 A405M163-L401 HydrophobicContact CE-CD1 4.18Å; M163-L401 HydrophobicContact SD-CD1 3.94Å; M163-L401 HydrophobicContact SD-CD2 3.81Å; T176-L401 HydrophobicContact CG2-CD2 3.59Å; Y179-L401 HydrophobicContact CD2-CD2 3.94Å; Y179-L401 HydrophobicContact CE1-CD2 4.14Å; Y179-L401 HydrophobicContact CE2-CB 3.84Å; Y179-L401 HydrophobicContact CE2-CD2 3.45Å; Y179-L401 VanDerWaalsContact CE2-CD2 3.45Å; Y179-L401 HydrophobicContact CE2-CG 4.18Å; Y179-L401 HydrophobicContact CG-CD2 4.44Å; M181-L401 HydrophobicContact CE-CB 4.34Å; M181-L401 HydrophobicContact CE-CD1 4.3Å; M181-L401 HydrophobicContact SD-CB 4.11Å; M181-L401 HydrophobicContact SD-CD1 4.06Å; I192-L401 HydrophobicContact CG2-CD1 3.67Å; G397-L401 PolarHBondContact O-N 3.17Å; I398-L401 PolarHBondContact O-N 3.5Å; I398-L401 VanDerWaalsContact O-N 3.1Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.4Å; L401-M404 WeakPolarHBondContact O-CB 3.26Å; L401-M404 PolarHBondContact O-N 3.27Å; L401-A405 PolarHBondContact O-N 2.6Å
402I98.2Very high96.9Very high4 Ų432.4 Ų32.42%0.02114%0.142CC..Hα-helixtrans-58.6-45.4175.6-61169.4000110.6L200 I398 M399 M404 A405 E406 P407 M410 I427 F431 I433L200-I402 HydrophobicContact CD2-CG1 4.32Å; I398-I402 HydrophobicContact CG2-CD1 4.17Å; I398-I402 WeakPolarHBondContact O-CG1 3.27Å; I398-I402 PolarHBondContact O-N 3.23Å; I398-I402 VanDerWaalsContact O-N 3.11Å; M399-I402 HydrophobicContact SD-CD1 4.39Å; I402-M404 VanDerWaalsContact C-N 3.26Å; I402-M404 PolarHBondContact O-N 2.95Å; I402-A405 PolarHBondContact O-N 3.43Å; I402-E406 WeakPolarHBondContact O-CA 3.47Å; I402-E406 PolarHBondContact O-N 2.9Å; I402-P407 HydrophobicContact CG2-CG 4.09Å; I402-P407 WeakPolarHBondContact O-CD 3.43Å; I402-M410 HydrophobicContact CD1-CE 3.82Å; I402-M410 HydrophobicContact CD1-CG 4.33Å; I402-M410 HydrophobicContact CD1-SD 4.04Å; I402-M410 HydrophobicContact CG1-CE 3.89Å; I402-M410 HydrophobicContact CG1-SD 3.78Å; I402-I427 HydrophobicContact CD1-CD1 3.68Å; I402-I427 HydrophobicContact CD1-CG1 3.7Å; I402-I427 HydrophobicContact CD1-CG2 4.27Å; I402-F431 HydrophobicContact CB-CD2 4.33Å; I402-F431 HydrophobicContact CB-CE2 3.8Å; I402-F431 HydrophobicContact CB-CZ 4.02Å; I402-F431 HydrophobicContact CD1-CD2 4.28Å; I402-F431 HydrophobicContact CD1-CE2 3.89Å; I402-F431 HydrophobicContact CG1-CE2 4.46Å; I402-F431 HydrophobicContact CG2-CD1 4.16Å; I402-F431 HydrophobicContact CG2-CD2 3.57Å; I402-F431 HydrophobicContact CG2-CE1 4.2Å; I402-F431 HydrophobicContact CG2-CE2 3.54Å; I402-F431 HydrophobicContact CG2-CG 3.87Å; I402-F431 HydrophobicContact CG2-CZ 3.9Å; I402-I433 HydrophobicContact CG2-CD1 4.15Å
403R97.9Very high97.1Very high128 Ų12831.2 Ų31.248%0.48314%0.136SC..Hα-helixtrans-61.8-31.9174.3-71.1-175.4-154.7109.4-12.5113.6M399 Q400 L401 E430 F431M399-R403 WeakPolarHBondContact O-CG 3.39Å; M399-R403 PolarHBondContact O-N 3.47Å; M399-R403 PolarHBondContact O-NH1 2.96Å; Q400-R403 PolarHBondContact O-N 3.19Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.4Å; R403-E430 IonicContact CZ-OE1 2.78Å; R403-E430 IonicContact NE-OE1 2.88Å; R403-E430 PolarHBondContact NE-OE1 2.84Å; R403-E430 VanDerWaalsContact NE-OE1 3.07Å; R403-E430 IonicContact NH2-OE1 2.61Å; R403-E430 PolarHBondContact NH2-OE1 3.12Å; R403-E430 IonicContact NH2-OE2 3.92Å; R403-F431 HydrophobicContact CG-CE1 3.44Å; R403-F431 VanDerWaalsContact CG-CE1 3.44Å; R403-F431 HydrophobicContact CG-CZ 3.73Å
404M97.6Very high97.2Very high51 Ų5131.3 Ų31.325%0.25114%0.137SC..Hα-helixtrans-75.9-43.7-179.7-172.5177.5-69.500111.6M181 I192 K194 Q400 L401 I402M181-M404 HydrophobicContact CE-CE 3.88Å; M181-M404 HydrophobicContact CE-SD 4.5Å; I192-M404 HydrophobicContact CG2-CB 4.3Å; I192-M404 HydrophobicContact CG2-CG 3.81Å; I192-M404 HydrophobicContact CG2-SD 3.79Å; I192-M404 PolarHBondContact N-SD 3.43Å; I192-M404 VanDerWaalsContact N-SD 3.41Å; I192-M404 WeakPolarHBondContact O-CG 3.44Å; K194-M404 WeakPolarHBondContact CA-O 3.48Å; Q400-M404 PolarHBondContact O-N 3.37Å; Q400-M404 VanDerWaalsContact O-N 3.11Å; L401-M404 WeakPolarHBondContact O-CB 3.26Å; L401-M404 PolarHBondContact O-N 3.27Å; I402-M404 VanDerWaalsContact C-N 3.26Å; I402-M404 PolarHBondContact O-N 2.95Å
405A97.8Very high97.2Very high0 Ų030.7 Ų30.70%013%0.134CC..Hα-helixtrans-84.1-28.9-176.300000113.8I192 R196 L200 L401 I402I192-A405 HydrophobicContact CG2-CB 4.18Å; R196-A405 VanDerWaalsContact CA-O 3.27Å; R196-A405 WeakPolarHBondContact CA-O 3.28Å; R196-A405 PolarHBondContact N-O 3.01Å; L200-A405 HydrophobicContact CD2-CB 4.26Å; L401-A405 PolarHBondContact O-N 2.6Å; I402-A405 PolarHBondContact O-N 3.43Å
406E97.8Very high97.1Very high73 Ų7334.1 Ų34.134%0.34115%0.149SC..  trans49.955.5-172.6-70.3-172.8-177.700113.8K194 R196 I402K194-E406 WeakPolarHBondContact CE-OE1 3.2Å; K194-E406 WeakPolarHBondContact CE-OE2 3.36Å; K194-E406 IonicContact NZ-OE1 3.79Å; K194-E406 PolarHBondContact NZ-OE1 2.76Å; K194-E406 IonicContact NZ-OE2 3.55Å; K194-E406 PolarHBondContact NZ-OE2 3.49Å; R196-E406 WeakPolarHBondContact CA-O 3.43Å; R196-E406 HydrophobicContact CG-CB 3.9Å; R196-E406 IonicContact CZ-OE2 2.95Å; R196-E406 IonicContact NE-OE2 3.93Å; R196-E406 PolarHBondContact NE-OE2 3.35Å; R196-E406 IonicContact NH2-OE2 3.46Å; R196-E406 PolarHBondContact NH2-OE2 3.14Å; I402-E406 WeakPolarHBondContact O-CA 3.47Å; I402-E406 PolarHBondContact O-N 2.9Å
407P97.8Very high97.1Very high7 Ų729.1 Ų29.15%0.04513%0.134CC..  trans-68.3153.7-179.533.3-37.1000111.9P197 L200 I402 M410 I433P197-P407 HydrophobicContact CG-CB 3.96Å; P197-P407 CarbonylContact O-C 3.52Å; P197-P407 WeakPolarHBondContact O-CA 3.35Å; L200-P407 HydrophobicContact CB-CB 3.57Å; L200-P407 HydrophobicContact CB-CG 3.85Å; L200-P407 HydrophobicContact CD2-CG 4Å; I402-P407 HydrophobicContact CG2-CG 4.09Å; I402-P407 WeakPolarHBondContact O-CD 3.43Å; P407-M410 HydrophobicContact CG-CG 4.29Å; P407-M410 HydrophobicContact CG-SD 3.7Å; P407-I433 HydrophobicContact CG-CD1 4.11Å
408R96.9Very high97Very high128 Ų12833 Ų3348%0.48317%0.166SC..SBendtrans-75.6-35.1172-62.1-177.3-176.6-109.14.5112.3P197 D198 I433P197-R408 PolarHBondContact O-N 3.08Å; D198-R408 WeakPolarHBondContact OD1-CD 3.41Å; D198-R408 IonicContact OD1-NE 3.54Å; R408-I433 WeakPolarHBondContact O-CB 3.23Å
409N98.1Very high96.9Very high18 Ų1835.6 Ų35.610%0.09618%0.178CC..EExtended strand (participates in β ladder)trans-138.7151.9179.8-54.1-86.7000110.7D198 I199 L200 Y436 V446D198-N409 VanDerWaalsContact O-CB 3.31Å; D198-N409 WeakPolarHBondContact O-CB 3.32Å; D198-N409 PolarHBondContact O-N 2.95Å; D198-N409 PolarHBondContact O-ND2 3.01Å; I199-N409 WeakPolarHBondContact CA-O 3.38Å; I199-N409 HydrophobicContact CG1-CB 4.43Å; L200-N409 PolarHBondContact N-O 2.75Å; N409-Y436 HydrophobicContact CB-CE2 4.24Å; N409-V446 HydrophobicContact CB-CG1 4.39Å; N409-V446 VanDerWaalsContact ND2-CG1 3.29Å; N409-V446 WeakPolarHBondContact ND2-CG1 3.44Å
410M98.3Very high96.9Very high0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-114.3142.4176.4-77.7-63.8-58.700111.4L200 I402 P407 L412 I427 I433 D434 C435 Y436L200-M410 HydrophobicContact CB-SD 3.61Å; L200-M410 HydrophobicContact CD2-CE 4.15Å; L200-M410 HydrophobicContact CD2-SD 3.62Å; L200-M410 HydrophobicContact CG-CE 4.14Å; L200-M410 HydrophobicContact CG-SD 3.73Å; I402-M410 HydrophobicContact CD1-CE 3.82Å; I402-M410 HydrophobicContact CD1-CG 4.33Å; I402-M410 HydrophobicContact CD1-SD 4.04Å; I402-M410 HydrophobicContact CG1-CE 3.89Å; I402-M410 HydrophobicContact CG1-SD 3.78Å; P407-M410 HydrophobicContact CG-CG 4.29Å; P407-M410 HydrophobicContact CG-SD 3.7Å; M410-L412 HydrophobicContact CE-CD2 4.34Å; M410-I427 HydrophobicContact CB-CG2 4.27Å; M410-I427 HydrophobicContact CE-CD1 4.4Å; M410-I427 HydrophobicContact CG-CG2 3.91Å; M410-I433 HydrophobicContact CG-CD1 3.54Å; M410-I433 HydrophobicContact CG-CG1 4.32Å; M410-D434 PolarHBondContact N-O 2.92Å; M410-C435 HydrophobicContact CB-CB 4.04Å; M410-C435 CarbonylContact O-C 3.54Å; M410-C435 WeakPolarHBondContact O-CA 3.48Å; M410-Y436 WeakPolarHBondContact O-CD2 3.33Å; M410-Y436 PolarHBondContact O-N 2.93Å
411L98.6Very high96.9Very high1 Ų136.6 Ų36.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-131.7122.5169.3-167.2153.3000109.6V6 I199 L200 I201 S202 V413 Y436 P438 V444V6-L411 HydrophobicContact CB-CD1 3.67Å; V6-L411 HydrophobicContact CG1-CD1 3.66Å; V6-L411 HydrophobicContact CG1-CD2 4.37Å; V6-L411 HydrophobicContact CG2-CD1 4.12Å; I199-L411 HydrophobicContact CG2-CB 4.07Å; L200-L411 PolarHBondContact O-N 3.08Å; I201-L411 CarbonylContact C-O 3.53Å; I201-L411 WeakPolarHBondContact CA-O 3.26Å; I201-L411 HydrophobicContact CG1-CB 4.25Å; I201-L411 HydrophobicContact CG2-CD2 4.04Å; S202-L411 PolarHBondContact N-O 3.35Å; L411-V413 HydrophobicContact CD2-CG1 3.48Å; L411-V413 VanDerWaalsContact CD2-CG1 3.48Å; L411-Y436 CarbonylContact C-O 3.59Å; L411-Y436 WeakPolarHBondContact CA-O 3.32Å; L411-P438 HydrophobicContact CD1-CG 4.05Å; L411-P438 HydrophobicContact CD2-CG 4.05Å; L411-P438 HydrophobicContact CG-CG 4.14Å; L411-V444 HydrophobicContact CD1-CB 4.24Å; L411-V444 HydrophobicContact CD1-CG2 4.38Å
412L98.6Very high96.8Very high0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-93127.7179.9-58.4-179.1000110.2M410 M420 L423 K424 I427 Y436 M437M410-L412 HydrophobicContact CE-CD2 4.34Å; L412-M420 HydrophobicContact CB-CE 4.48Å; L412-M420 HydrophobicContact CB-CG 4.34Å; L412-M420 HydrophobicContact CD1-CB 4.28Å; L412-L423 HydrophobicContact CD1-CB 4.26Å; L412-L423 HydrophobicContact CD1-CD2 4.06Å; L412-L423 HydrophobicContact CD1-CG 4.18Å; L412-L423 HydrophobicContact CD2-CD2 3.99Å; L412-K424 HydrophobicContact CD1-CB 4.32Å; L412-I427 HydrophobicContact CD2-CD1 4.06Å; L412-Y436 PolarHBondContact N-O 3.22Å; L412-M437 HydrophobicContact CB-CB 4.34Å
413V98.3Very high96.8Very high2 Ų242 Ų421%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-128.4175.9170.4-63.40000109.6I20 I201 S202 E203 S204 L411 M420I20-V413 HydrophobicContact CG1-CG1 4.14Å; I201-V413 HydrophobicContact CG2-CG1 4.06Å; I201-V413 HydrophobicContact CG2-CG2 3.88Å; S202-V413 PolarHBondContact O-N 2.89Å; E203-V413 CarbonylContact C-O 3.52Å; E203-V413 WeakPolarHBondContact CA-O 3.39Å; S204-V413 PolarHBondContact N-O 2.82Å; S204-V413 PolarHBondContact OG-O 2.78Å; L411-V413 HydrophobicContact CD2-CG1 3.48Å; L411-V413 VanDerWaalsContact CD2-CG1 3.48Å; V413-M420 WeakPolarHBondContact O-CE 3.18Å
414H95.9Very high96.8Very high3 Ų338.3 Ų38.31%0.01419%0.193CC..SBendtrans53.567.5171.2-155.4-104.1000113.3A11 D14 G16 S18 D72 H73 D178 E203 S204 T205A11-H414 HydrophobicContact CB-CB 4.25Å; A11-H414 PolarHBondContact O-N 2.93Å; D14-H414 WeakPolarHBondContact O-CA 3.21Å; G16-H414 PolarHBondContact N-CD2 2.84Å; G16-H414 PolarHBondContact N-NE2 3.2Å; G16-H414 VanDerWaalsContact N-NE2 3.18Å; S18-H414 PolarHBondContact OG-CD2 3.29Å; D72-H414 IonicContact OD2-CE1 3.75Å; D72-H414 IonicContact OD2-NE2 2.83Å; H73-H414 AromaticContact NE2-NE2 3.92Å; D178-H414 IonicContact OD1-CE1 2.89Å; D178-H414 IonicContact OD1-ND1 2.79Å; E203-H414 HydrophobicContact CB-CB 4.14Å; S204-H414 CarbonylContact C-O 3.58Å; S204-H414 PolarHBondContact N-O 3.43Å; S204-H414 VanDerWaalsContact N-O 3.1Å; S204-H414 PolarHBondContact OG-O 3.1Å; T205-H414 PolarHBondContact N-O 2.91Å; T205-H414 PolarHBondContact OG1-ND1 3.49Å; T205-H414 PolarHBondContact OG1-O 3.1Å
415G93.6Very high96.8Very high1 Ų137.5 Ų37.51%0.0120%0.198CC..SBendtrans175.2158.8-17400000111.8Q13 D14 S204 M420Q13-G415 CarbonylContact C-O 3.56Å; Q13-G415 WeakPolarHBondContact CA-O 2.95Å; D14-G415 PolarHBondContact N-O 3.4Å; D14-G415 PolarHBondContact O-N 2.95Å; S204-G415 WeakPolarHBondContact OG-CA 3.22Å; G415-M420 WeakPolarHBondContact O-CE 3.34Å
416E92.1Very high96.8Very high72 Ų7240.5 Ų40.534%0.33621%0.211SC..  trans-77.3139.1-178.3-65.5161.7-147.300111.3Y353 A418 K419 M420Y353-E416 PolarHBondContact OH-OE1 2.9Å; E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A418 PolarHBondContact O-N 3.31Å; E416-K419 HydrophobicContact CB-CD 4.31Å; E416-K419 HydrophobicContact CB-CG 4.46Å; E416-K419 PolarHBondContact O-N 3.19Å; E416-K419 IonicContact OE1-NZ 2.59Å; E416-K419 PolarHBondContact OE1-NZ 3.45Å; E416-K419 WeakPolarHBondContact OE2-CE 3.4Å; E416-K419 IonicContact OE2-NZ 3.54Å; E416-K419 PolarHBondContact OE2-NZ 3.35Å; E416-M420 PolarHBondContact O-N 3.5Å
417A94.1Very high96.8Very high36 Ų3637 Ų3730%0.29819%0.194SC..Hα-helixtrans-44.6-51.9-177.700000114.2Q13 K419 M420 E421Q13-A417 HydrophobicContact CB-CB 4.04Å; Q13-A417 HydrophobicContact CG-CB 4.22Å; A417-K419 VanDerWaalsContact C-N 3.29Å; A417-K419 PolarHBondContact O-N 3.42Å; A417-M420 WeakPolarHBondContact O-CB 3.32Å; A417-M420 PolarHBondContact O-N 2.8Å; A417-E421 PolarHBondContact O-N 3.44Å
418A95.3Very high96.8Very high84 Ų8440 Ų4069%0.69421%0.208SC*.Hα-helixtrans-64-33.1-177.400000113.2E416E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A418 PolarHBondContact O-N 3.31Å
419K94.9Very high96.8Very high56 Ų5642.1 Ų42.124%0.24322%0.223CC..Hα-helixtrans-78.7-37.3178.1-64.9176.4-179.4151.40111A207 T208 E416 A417 F422 L423A207-K419 HydrophobicContact CB-CB 4.06Å; A207-K419 WeakPolarHBondContact CB-O 3.26Å; T208-K419 HydrophobicContact CG2-CB 3.96Å; T208-K419 HydrophobicContact CG2-CG 3.93Å; E416-K419 HydrophobicContact CB-CD 4.31Å; E416-K419 HydrophobicContact CB-CG 4.46Å; E416-K419 PolarHBondContact O-N 3.19Å; E416-K419 IonicContact OE1-NZ 2.59Å; E416-K419 PolarHBondContact OE1-NZ 3.45Å; E416-K419 WeakPolarHBondContact OE2-CE 3.4Å; E416-K419 IonicContact OE2-NZ 3.54Å; E416-K419 PolarHBondContact OE2-NZ 3.35Å; A417-K419 VanDerWaalsContact C-N 3.29Å; A417-K419 PolarHBondContact O-N 3.42Å; K419-F422 PolarHBondContact O-N 3.26Å; K419-L423 PolarHBondContact O-N 3.19Å
420M96.9Very high96.8Very high0 Ų045.3 Ų45.30%024%0.237CC..Hα-helixtrans-59.4-45.4172.9-73.4177.1165.300111.4Q13 S204 L412 V413 G415 E416 A417 F422 L423 K424 M437Q13-M420 HydrophobicContact CB-SD 4.4Å; Q13-M420 HydrophobicContact CG-SD 4.07Å; S204-M420 WeakPolarHBondContact OG-CE 3.45Å; S204-M420 WeakPolarHBondContact OG-CG 3.44Å; L412-M420 HydrophobicContact CB-CE 4.48Å; L412-M420 HydrophobicContact CB-CG 4.34Å; L412-M420 HydrophobicContact CD1-CB 4.28Å; V413-M420 WeakPolarHBondContact O-CE 3.18Å; G415-M420 WeakPolarHBondContact O-CE 3.34Å; E416-M420 PolarHBondContact O-N 3.5Å; A417-M420 WeakPolarHBondContact O-CB 3.32Å; A417-M420 PolarHBondContact O-N 2.8Å; M420-F422 VanDerWaalsContact C-N 3.3Å; M420-F422 PolarHBondContact O-N 3.08Å; M420-L423 PolarHBondContact O-N 2.91Å; M420-L423 VanDerWaalsContact O-N 3.08Å; M420-K424 WeakPolarHBondContact O-CB 3.35Å; M420-K424 PolarHBondContact O-N 2.87Å; M420-M437 HydrophobicContact CB-CB 4.24Å; M420-M437 HydrophobicContact CB-SD 3.67Å; M420-M437 HydrophobicContact SD-CB 4.17Å
421E97.7Very high96.8Very high103 Ų10347.5 Ų47.548%0.48125%0.247SC..Hα-helixtrans-57.4-43.2179.4-169.964.9-144.300111.7A417 L423 K424 G425 M437A417-E421 PolarHBondContact O-N 3.44Å; E421-L423 PolarHBondContact O-N 3.14Å; E421-K424 PolarHBondContact O-N 3.09Å; E421-G425 PolarHBondContact O-N 3.34Å; E421-G425 VanDerWaalsContact O-N 3.16Å; E421-M437 HydrophobicContact CB-CE 4.27Å; E421-M437 HydrophobicContact CB-SD 4.15Å; E421-M437 PolarHBondContact N-SD 3.22Å; E421-M437 WeakPolarHBondContact OE2-CE 3.48Å; E421-M437 VanDerWaalsContact OE2-SD 3.33Å
422F96.9Very high96.7Very high120 Ų12052.8 Ų52.853%0.52628%0.284SS..Hα-helixtrans-61.2-44.8175.3173.8-93.3000112.6T208 K419 M420 K426T208-F422 HydrophobicContact CG2-CB 4.05Å; T208-F422 HydrophobicContact CG2-CD1 3.67Å; T208-F422 HydrophobicContact CG2-CE1 4.39Å; T208-F422 HydrophobicContact CG2-CG 3.97Å; K419-F422 PolarHBondContact O-N 3.26Å; M420-F422 VanDerWaalsContact C-N 3.3Å; M420-F422 PolarHBondContact O-N 3.08Å; F422-K426 PolarHBondContact O-N 2.86Å
423L97.4Very high96.6Very high0 Ų054.1 Ų54.10%029%0.291CS..Hα-helixtrans-70-38.6-179.8177.264.7000111.8A207 I398 M399 L412 K419 M420 E421 K426 I427A207-L423 HydrophobicContact CB-CB 3.72Å; A207-L423 HydrophobicContact CB-CD2 3.77Å; A207-L423 HydrophobicContact CB-CG 4.33Å; I398-L423 HydrophobicContact CD1-CD2 3.74Å; I398-L423 HydrophobicContact CG2-CD2 4.17Å; M399-L423 HydrophobicContact SD-CD1 4.28Å; L412-L423 HydrophobicContact CD1-CB 4.26Å; L412-L423 HydrophobicContact CD1-CD2 4.06Å; L412-L423 HydrophobicContact CD1-CG 4.18Å; L412-L423 HydrophobicContact CD2-CD2 3.99Å; K419-L423 PolarHBondContact O-N 3.19Å; M420-L423 PolarHBondContact O-N 2.91Å; M420-L423 VanDerWaalsContact O-N 3.08Å; E421-L423 PolarHBondContact O-N 3.14Å; L423-K426 WeakPolarHBondContact O-CB 3.5Å; L423-K426 PolarHBondContact O-N 3.29Å; L423-I427 HydrophobicContact CD1-CD1 4.15Å; L423-I427 HydrophobicContact CD1-CG1 4.23Å; L423-I427 HydrophobicContact CD2-CD1 4.36Å; L423-I427 HydrophobicContact CG-CD1 3.81Å; L423-I427 HydrophobicContact CG-CG1 4.32Å; L423-I427 WeakPolarHBondContact O-CG1 3.31Å; L423-I427 PolarHBondContact O-N 3.16Å
424K98Very high96.6Very high50 Ų5058.6 Ų58.622%0.21732%0.315CS..Hα-helixtrans-53-55.5174171.2179.5172.7172.90110.9L412 M420 E421 K426 I427 E428 C435 M437L412-K424 HydrophobicContact CD1-CB 4.32Å; M420-K424 WeakPolarHBondContact O-CB 3.35Å; M420-K424 PolarHBondContact O-N 2.87Å; E421-K424 PolarHBondContact O-N 3.09Å; K424-K426 PolarHBondContact O-N 3.42Å; K424-I427 PolarHBondContact O-N 3.39Å; K424-E428 WeakPolarHBondContact CE-OE1 3.46Å; K424-E428 HydrophobicContact CG-CG 4.49Å; K424-E428 IonicContact NZ-OE1 3.12Å; K424-E428 WeakPolarHBondContact O-CG 3.05Å; K424-E428 PolarHBondContact O-N 3.38Å; K424-C435 WeakPolarHBondContact CD-O 3.09Å; K424-C435 WeakPolarHBondContact CE-O 3.39Å; K424-C435 HydrophobicContact CG-CB 3.94Å; K424-C435 PolarHBondContact NZ-O 3.13Å; K424-M437 HydrophobicContact CD-CG 4.37Å; K424-M437 HydrophobicContact CD-SD 4.48Å
425G97.6Very high96.7Very high34 Ų3458.5 Ų58.535%0.35131%0.314SS..Hα-helixtrans-58.8-34.6179.800000112.9E421 Q429E421-G425 PolarHBondContact O-N 3.34Å; E421-G425 VanDerWaalsContact O-N 3.16Å; G425-Q429 VanDerWaalsContact O-CB 3.23Å; G425-Q429 WeakPolarHBondContact O-CB 3.42Å; G425-Q429 PolarHBondContact O-N 3.35Å
426K97.1Very high96.9Very high62 Ų6261.5 Ų61.527%0.2733%0.326SS..Hα-helixtrans-70-39.5175.7-170.1-179.2179.2179.10113M399 F422 L423 K424 E430M399-K426 HydrophobicContact CE-CD 4.37Å; M399-K426 HydrophobicContact CE-CG 3.96Å; M399-K426 HydrophobicContact SD-CD 4.44Å; M399-K426 HydrophobicContact SD-CG 4.43Å; F422-K426 PolarHBondContact O-N 2.86Å; L423-K426 WeakPolarHBondContact O-CB 3.5Å; L423-K426 PolarHBondContact O-N 3.29Å; K424-K426 PolarHBondContact O-N 3.42Å; K426-E430 WeakPolarHBondContact O-CB 3.29Å; K426-E430 PolarHBondContact O-N 3.2Å
427I98.1Very high97.2Very high0 Ų059.4 Ų59.40%032%0.317CS..Hα-helixtrans-64.9-49.7177.3-72.3170.2000110M399 I402 M410 L412 L423 K424 Q429 E430 F431 I433 C435M399-I427 HydrophobicContact SD-CG1 3.76Å; I402-I427 HydrophobicContact CD1-CD1 3.68Å; I402-I427 HydrophobicContact CD1-CG1 3.7Å; I402-I427 HydrophobicContact CD1-CG2 4.27Å; M410-I427 HydrophobicContact CB-CG2 4.27Å; M410-I427 HydrophobicContact CE-CD1 4.4Å; M410-I427 HydrophobicContact CG-CG2 3.91Å; L412-I427 HydrophobicContact CD2-CD1 4.06Å; L423-I427 HydrophobicContact CD1-CD1 4.15Å; L423-I427 HydrophobicContact CD1-CG1 4.23Å; L423-I427 HydrophobicContact CD2-CD1 4.36Å; L423-I427 HydrophobicContact CG-CD1 3.81Å; L423-I427 HydrophobicContact CG-CG1 4.32Å; L423-I427 WeakPolarHBondContact O-CG1 3.31Å; L423-I427 PolarHBondContact O-N 3.16Å; K424-I427 PolarHBondContact O-N 3.39Å; I427-Q429 VanDerWaalsContact C-N 3.33Å; I427-Q429 PolarHBondContact O-N 3.09Å; I427-E430 PolarHBondContact O-N 3.08Å; I427-F431 HydrophobicContact CG2-CD2 4.15Å; I427-F431 WeakPolarHBondContact O-CB 3.33Å; I427-F431 PolarHBondContact O-N 3.28Å; I427-I433 HydrophobicContact CG2-CD1 4.24Å; I427-I433 HydrophobicContact CG2-CG1 4.07Å; I427-C435 HydrophobicContact CG2-CB 4.06Å
428E98.1Very high97.4Very high71 Ų7157.8 Ų57.833%0.33230%0.303SS..Hα-helixtrans-60.2-44.2179.6-69.5173.916100111K424 S432 C435K424-E428 WeakPolarHBondContact CE-OE1 3.46Å; K424-E428 HydrophobicContact CG-CG 4.49Å; K424-E428 IonicContact NZ-OE1 3.12Å; K424-E428 WeakPolarHBondContact O-CG 3.05Å; K424-E428 PolarHBondContact O-N 3.38Å; E428-S432 WeakPolarHBondContact O-CA 3.44Å; E428-S432 PolarHBondContact O-N 3.36Å; E428-C435 HydrophobicContact CG-CB 3.91Å
429Q97.6Very high97.5Very high171 Ų17155.2 Ų55.280%0.79928%0.281SS*.Hα-helixtrans-63.6-41.9177.9-174.6-177.17.500113.1G425 I427G425-Q429 VanDerWaalsContact O-CB 3.23Å; G425-Q429 WeakPolarHBondContact O-CB 3.42Å; G425-Q429 PolarHBondContact O-N 3.35Å; I427-Q429 VanDerWaalsContact C-N 3.33Å; I427-Q429 PolarHBondContact O-N 3.09Å
430E97.7Very high97.6Very high85 Ų8554.8 Ų54.840%0.39728%0.282SS..Hα-helixtrans-84.1-38.2-173.5-164.1-179141.900113M399 R403 K426 I427M399-E430 HydrophobicContact CE-CB 3.69Å; M399-E430 HydrophobicContact CE-CG 4.17Å; M399-E430 WeakPolarHBondContact CE-OE2 3.36Å; R403-E430 IonicContact CZ-OE1 2.78Å; R403-E430 IonicContact NE-OE1 2.88Å; R403-E430 PolarHBondContact NE-OE1 2.84Å; R403-E430 VanDerWaalsContact NE-OE1 3.07Å; R403-E430 IonicContact NH2-OE1 2.61Å; R403-E430 PolarHBondContact NH2-OE1 3.12Å; R403-E430 IonicContact NH2-OE2 3.92Å; K426-E430 WeakPolarHBondContact O-CB 3.29Å; K426-E430 PolarHBondContact O-N 3.2Å; I427-E430 PolarHBondContact O-N 3.08Å
431F97.4Very high97.5Very high47 Ų4755.7 Ų55.721%0.20629%0.291CS..Hα-helixtrans-107.4-13.1-170.9-60.3-61.9000114.1M399 I402 R403 I427 I433M399-F431 HydrophobicContact CB-CE2 4.46Å; M399-F431 HydrophobicContact CB-CZ 4.37Å; M399-F431 HydrophobicContact CE-CD2 4.01Å; M399-F431 HydrophobicContact CE-CE2 3.26Å; M399-F431 HydrophobicContact CE-CZ 3.86Å; M399-F431 HydrophobicContact SD-CE2 3.79Å; I402-F431 HydrophobicContact CB-CD2 4.33Å; I402-F431 HydrophobicContact CB-CE2 3.8Å; I402-F431 HydrophobicContact CB-CZ 4.02Å; I402-F431 HydrophobicContact CD1-CD2 4.28Å; I402-F431 HydrophobicContact CD1-CE2 3.89Å; I402-F431 HydrophobicContact CG1-CE2 4.46Å; I402-F431 HydrophobicContact CG2-CD1 4.16Å; I402-F431 HydrophobicContact CG2-CD2 3.57Å; I402-F431 HydrophobicContact CG2-CE1 4.2Å; I402-F431 HydrophobicContact CG2-CE2 3.54Å; I402-F431 HydrophobicContact CG2-CG 3.87Å; I402-F431 HydrophobicContact CG2-CZ 3.9Å; R403-F431 HydrophobicContact CG-CE1 3.44Å; R403-F431 VanDerWaalsContact CG-CE1 3.44Å; R403-F431 HydrophobicContact CG-CZ 3.73Å; I427-F431 HydrophobicContact CG2-CD2 4.15Å; I427-F431 WeakPolarHBondContact O-CB 3.33Å; I427-F431 PolarHBondContact O-N 3.28Å; F431-I433 HydrophobicContact CB-CD1 3.97Å; F431-I433 HydrophobicContact CB-CG1 3.89Å; F431-I433 HydrophobicContact CB-CG2 4.41Å; F431-I433 PolarHBondContact O-N 3.35Å
432S96.6Very high97.5Very high111 Ų11155.6 Ų55.678%0.77629%0.291SS*.  trans53.940.9-175.9-54.10000112.8E428E428-S432 WeakPolarHBondContact O-CA 3.44Å; E428-S432 PolarHBondContact O-N 3.36Å
433I96.8Very high97.6Very high29 Ų2953.5 Ų53.515%0.14929%0.288CS..  trans-120.9150.417564.6-175.5000109.7I402 P407 R408 M410 I427 F431I402-I433 HydrophobicContact CG2-CD1 4.15Å; P407-I433 HydrophobicContact CG-CD1 4.11Å; R408-I433 WeakPolarHBondContact O-CB 3.23Å; M410-I433 HydrophobicContact CG-CD1 3.54Å; M410-I433 HydrophobicContact CG-CG1 4.32Å; I427-I433 HydrophobicContact CG2-CD1 4.24Å; I427-I433 HydrophobicContact CG2-CG1 4.07Å; F431-I433 HydrophobicContact CB-CD1 3.97Å; F431-I433 HydrophobicContact CB-CG1 3.89Å; F431-I433 HydrophobicContact CB-CG2 4.41Å; F431-I433 PolarHBondContact O-N 3.35Å
434D97.8Very high97.6Very high95 Ų9554.1 Ų54.151%0.50829%0.292SS..EExtended strand (participates in β ladder)trans-68.2137177.2-66.2-42.8000110.8M410 Y436M410-D434 PolarHBondContact N-O 2.92Å; D434-Y436 HydrophobicContact CB-CE2 3.99Å
435C98.4Very high97.6Very high1 Ų154.1 Ų54.11%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-129123.3-179.8-175.70000111.6M410 K424 I427 E428M410-C435 HydrophobicContact CB-CB 4.04Å; M410-C435 CarbonylContact O-C 3.54Å; M410-C435 WeakPolarHBondContact O-CA 3.48Å; K424-C435 WeakPolarHBondContact CD-O 3.09Å; K424-C435 WeakPolarHBondContact CE-O 3.39Å; K424-C435 HydrophobicContact CG-CB 3.94Å; K424-C435 PolarHBondContact NZ-O 3.13Å; I427-C435 HydrophobicContact CG2-CB 4.06Å; E428-C435 HydrophobicContact CG-CB 3.91Å
436Y98.5Very high97.5Very high65 Ų6552.7 Ų52.726%0.25529%0.286SS..EExtended strand (participates in β ladder)trans-109.1150.9-176.8-51.4-81.6000111.2N409 M410 L411 L412 D434 V444 V446N409-Y436 HydrophobicContact CB-CE2 4.24Å; M410-Y436 WeakPolarHBondContact O-CD2 3.33Å; M410-Y436 PolarHBondContact O-N 2.93Å; L411-Y436 CarbonylContact C-O 3.59Å; L411-Y436 WeakPolarHBondContact CA-O 3.32Å; L412-Y436 PolarHBondContact N-O 3.22Å; D434-Y436 HydrophobicContact CB-CE2 3.99Å; Y436-V444 HydrophobicContact CD1-CG1 3.75Å; Y436-V444 HydrophobicContact CD1-CG2 4.39Å; Y436-V444 HydrophobicContact CD2-CG1 3.87Å; Y436-V444 HydrophobicContact CE1-CG1 4.09Å; Y436-V444 HydrophobicContact CE2-CG1 4.19Å; Y436-V444 HydrophobicContact CG-CG1 3.64Å; Y436-V444 HydrophobicContact CG-CG2 4.31Å; Y436-V446 HydrophobicContact CD2-CG2 4.42Å; Y436-V446 HydrophobicContact CE2-CG2 3.78Å
437M97.8Very high97.4Very high28 Ų2853.3 Ų53.314%0.13829%0.294CS..  trans-141.361.3174.955.5171.6-122.200111.2Q13 L412 M420 E421 K424Q13-M437 WeakPolarHBondContact CG-O 3.27Å; Q13-M437 PolarHBondContact NE2-O 2.94Å; L412-M437 HydrophobicContact CB-CB 4.34Å; M420-M437 HydrophobicContact CB-CB 4.24Å; M420-M437 HydrophobicContact CB-SD 3.67Å; M420-M437 HydrophobicContact SD-CB 4.17Å; E421-M437 HydrophobicContact CB-CE 4.27Å; E421-M437 HydrophobicContact CB-SD 4.15Å; E421-M437 PolarHBondContact N-SD 3.22Å; E421-M437 WeakPolarHBondContact OE2-CE 3.48Å; E421-M437 VanDerWaalsContact OE2-SD 3.33Å; K424-M437 HydrophobicContact CD-CG 4.37Å; K424-M437 HydrophobicContact CD-SD 4.48Å
438P97.9Very high96.9Very high1 Ų153.5 Ų53.51%0.00630%0.296CS..PPolyproline II helixtrans-59.5140.9-174.521.7-30.3000112.5P8 G12 L411 E442 V444P8-P438 HydrophobicContact CG-CB 3.97Å; P8-P438 HydrophobicContact CG-CG 3.61Å; G12-P438 CarbonylContact C-O 3.48Å; G12-P438 VanDerWaalsContact CA-O 3.23Å; G12-P438 WeakPolarHBondContact CA-O 3.42Å; L411-P438 HydrophobicContact CD1-CG 4.05Å; L411-P438 HydrophobicContact CD2-CG 4.05Å; L411-P438 HydrophobicContact CG-CG 4.14Å; P438-E442 WeakPolarHBondContact CA-OE2 3.48Å; P438-E442 HydrophobicContact CB-CB 3.97Å; P438-E442 HydrophobicContact CB-CG 4.2Å; P438-V444 HydrophobicContact CB-CG2 3.82Å; P438-V444 HydrophobicContact CG-CG2 3.74Å
439A97.7Very high96Very high30 Ų3054.9 Ų54.925%0.24831%0.305CS..PPolyproline II helixtrans-70.8166.816700000110.9Q13 G441 E442Q13-A439 HydrophobicContact CG-CB 4.48Å; A439-G441 PolarHBondContact O-N 3.41Å; A439-E442 PolarHBondContact N-OE2 3.44Å; A439-E442 WeakPolarHBondContact O-CB 3.37Å; A439-E442 PolarHBondContact O-N 3.16Å
440N96.7Very high94.7Very high48 Ų4850 Ų5026%0.25729%0.289SS..THydrogen-bonded Turntrans-57.2130.7173.6-63.1-48.2000110.9P8 G10 A11 G12 R17 E442P8-N440 CarbonylContact O-C 3.52Å; P8-N440 WeakPolarHBondContact O-CA 3.3Å; G10-N440 WeakPolarHBondContact CA-OD1 3.19Å; A11-N440 PolarHBondContact N-OD1 2.93Å; G12-N440 WeakPolarHBondContact CA-OD1 3.45Å; G12-N440 PolarHBondContact N-OD1 3.5Å; G12-N440 PolarHBondContact O-ND2 3.33Å; R17-N440 PolarHBondContact NH2-ND2 2.97Å; N440-E442 VanDerWaalsContact C-N 3.28Å; N440-E442 PolarHBondContact O-N 3.22Å
441G96.3Very high93.4Very high19 Ų1949.3 Ų49.320%0.19629%0.293CS..THydrogen-bonded Turntrans83.3-7.8-17700000115.3P8 A439P8-G441 PolarHBondContact O-N 3.22Å; A439-G441 PolarHBondContact O-N 3.41Å
442E97.9Very high92.2Very high101 Ų10151.4 Ų51.447%0.47231%0.31SS..PPolyproline II helixtrans-85.7127.4176.3-171.8-174.9169.300110.5P8 P438 A439 N440P8-E442 WeakPolarHBondContact CD-O 3.3Å; P438-E442 WeakPolarHBondContact CA-OE2 3.48Å; P438-E442 HydrophobicContact CB-CB 3.97Å; P438-E442 HydrophobicContact CB-CG 4.2Å; A439-E442 PolarHBondContact N-OE2 3.44Å; A439-E442 WeakPolarHBondContact O-CB 3.37Å; A439-E442 PolarHBondContact O-N 3.16Å; N440-E442 VanDerWaalsContact C-N 3.28Å; N440-E442 PolarHBondContact O-N 3.22Å
443T98Very high91.2Very high75 Ų7551.4 Ų51.446%0.4631%0.307SS..PPolyproline II helixtrans-99.3122.9179.8-59.10000110.8K5 V6 T7K5-T443 HydrophobicContact CB-CG2 4.01Å; K5-T443 HydrophobicContact CG-CG2 4.49Å; V6-T443 WeakPolarHBondContact O-CA 3.4Å; T7-T443 PolarHBondContact OG1-OG1 2.67Å
444V98.1Very high90.6Very high13 Ų1353.4 Ų53.48%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-94.5128.7169.1175.60000108.4K5 V6 L411 Y436 P438 V446K5-V444 CarbonylContact C-O 3.57Å; K5-V444 VanDerWaalsContact CA-O 3.3Å; K5-V444 WeakPolarHBondContact CA-O 3.5Å; V6-V444 PolarHBondContact N-O 3.24Å; V6-V444 PolarHBondContact O-N 3.39Å; L411-V444 HydrophobicContact CD1-CB 4.24Å; L411-V444 HydrophobicContact CD1-CG2 4.38Å; Y436-V444 HydrophobicContact CD1-CG1 3.75Å; Y436-V444 HydrophobicContact CD1-CG2 4.39Å; Y436-V444 HydrophobicContact CD2-CG1 3.87Å; Y436-V444 HydrophobicContact CE1-CG1 4.09Å; Y436-V444 HydrophobicContact CE2-CG1 4.19Å; Y436-V444 HydrophobicContact CG-CG1 3.64Å; Y436-V444 HydrophobicContact CG-CG2 4.31Å; P438-V444 HydrophobicContact CB-CG2 3.82Å; P438-V444 HydrophobicContact CG-CG2 3.74Å; V444-V446 HydrophobicContact CG1-CG2 4.02Å
445A97.5Very high90Very high51 Ų5154.1 Ų54.142%0.42132%0.324SS..EExtended strand (participates in β ladder)trans-110.3122.9171.700000109.3I4 K5I4-A445 WeakPolarHBondContact O-CA 3.21Å; K5-A445 HydrophobicContact CG-CB 4.14Å
446V96.2Very high89.6Confident4 Ų457.4 Ų57.42%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-111.3118.8176.7178.60000108.1E3 I4 I199 N409 Y436 V444 T448E3-V446 WeakPolarHBondContact CA-O 3.4Å; I4-V446 PolarHBondContact N-O 2.88Å; I4-V446 PolarHBondContact O-N 3.24Å; I199-V446 HydrophobicContact CD1-CB 3.83Å; I199-V446 HydrophobicContact CD1-CG1 4.45Å; I199-V446 HydrophobicContact CD1-CG2 3.59Å; I199-V446 HydrophobicContact CG1-CB 4.29Å; I199-V446 HydrophobicContact CG1-CG1 4.37Å; I199-V446 HydrophobicContact CG1-CG2 4.15Å; N409-V446 HydrophobicContact CB-CG1 4.39Å; N409-V446 VanDerWaalsContact ND2-CG1 3.29Å; N409-V446 WeakPolarHBondContact ND2-CG1 3.44Å; Y436-V446 HydrophobicContact CD2-CG2 4.42Å; Y436-V446 HydrophobicContact CE2-CG2 3.78Å; V444-V446 HydrophobicContact CG1-CG2 4.02Å; V446-T448 PolarHBondContact O-N 3.46Å
447T93.6Very high89.1Confident74 Ų7454.6 Ų54.645%0.45433%0.331SS..EExtended strand (participates in β ladder)trans-71.7125174.8-51.40000109.9M1M1-T447 HydrophobicContact CB-CG2 3.41Å; M1-T447 VanDerWaalsContact CB-CG2 3.41Å; M1-T447 HydrophobicContact CG-CG2 4.14Å; M1-T447 HydrophobicContact SD-CG2 3.65Å
448T88.8Confident88.5Confident4 Ų458.6 Ų58.63%0.02535%0.352CS..  trans-98.8147.6176.161.60000110.1P2 I4 E171 D198 V446 P450P2-T448 WeakPolarHBondContact CB-OG1 3.5Å; P2-T448 WeakPolarHBondContact CG-OG1 3.5Å; P2-T448 PolarHBondContact O-N 3.18Å; P2-T448 PolarHBondContact O-OG1 3.04Å; I4-T448 HydrophobicContact CD1-CG2 3.52Å; I4-T448 HydrophobicContact CG1-CG2 3.7Å; E171-T448 HydrophobicContact CG-CG2 4.26Å; E171-T448 WeakPolarHBondContact OE1-CB 3.34Å; E171-T448 VanDerWaalsContact OE1-CG2 3.31Å; E171-T448 WeakPolarHBondContact OE1-CG2 3.49Å; E171-T448 PolarHBondContact OE1-OG1 3.16Å; D198-T448 HydrophobicContact CB-CG2 4.02Å; V446-T448 PolarHBondContact O-N 3.46Å; T448-P450 WeakPolarHBondContact O-CD 3.46Å
449N79.1Confident87.9Confident100 Ų10063.4 Ų63.454%0.53538%0.378SS..  trans-92.4113.2170-74.5-39.7000107.5S451N449-S451 PolarHBondContact O-N 2.91Å
450P69.9Low87.3Confident70 Ų7062 Ų6246%0.45537%0.366SS..  trans-58.6121.1179.920.7-28000108.5P2 T448 V452P2-P450 HydrophobicContact CG-CB 4.11Å; P2-P450 HydrophobicContact CG-CG 4.09Å; T448-P450 WeakPolarHBondContact O-CD 3.46Å; P450-V452 PolarHBondContact O-N 3.45Å
451S70.6Confident86.7Confident70 Ų7062.8 Ų62.849%0.4937%0.37SS..  trans-79.5106.8173.2-69.30000107N449 P453N449-S451 PolarHBondContact O-N 2.91Å; S451-P453 VanDerWaalsContact O-CD 3.29Å; S451-P453 WeakPolarHBondContact O-CD 3.21Å
452V72.6Confident86.1Confident91 Ų9168 Ų6855%0.55239%0.387SS*.  trans-82.7112.7177.2-169.80000107.8P450 V454 L492P450-V452 PolarHBondContact O-N 3.45Å; V452-V454 PolarHBondContact O-N 3.48Å; V452-L492 HydrophobicContact CB-CD1 4.43Å; V452-L492 HydrophobicContact CG1-CD1 3.05Å
453P74.3Confident85.2Confident111 Ų11169.2 Ų69.272%0.72139%0.388SS*.  trans-64.6127.1178.227-32.5000108.9S451S451-P453 VanDerWaalsContact O-CD 3.29Å; S451-P453 WeakPolarHBondContact O-CD 3.21Å
454V84.8Confident84.3Confident70 Ų7067.7 Ų67.742%0.42438%0.375SS..  trans-119.9114.7174.5-177.70000107.7V452 L485 L492 L494V452-V454 PolarHBondContact O-N 3.48Å; V454-L485 HydrophobicContact CG1-CD1 3.56Å; V454-L485 HydrophobicContact CG2-CD1 4.44Å; V454-L492 CarbonylContact C-O 3.29Å; V454-L492 WeakPolarHBondContact CA-O 3.42Å; V454-L492 HydrophobicContact CB-CB 4.49Å; V454-L492 HydrophobicContact CG1-CB 4.43Å; V454-L492 HydrophobicContact CG2-CB 4.1Å; V454-L494 HydrophobicContact CG1-CB 3.97Å
455D86.5Confident83.2Confident110 Ų11072.3 Ų72.359%0.58840%0.397SS*.EExtended strand (participates in β ladder)trans-69.4144.3172.5-73.6-36.5000109.7L492 K493 L494D455-L492 PolarHBondContact N-O 3.41Å; D455-K493 HydrophobicContact CB-CG 4.25Å; D455-K493 CarbonylContact O-C 3.6Å; D455-K493 VanDerWaalsContact O-CA 3.26Å; D455-K493 WeakPolarHBondContact O-CA 3.32Å; D455-L494 PolarHBondContact O-N 3.37Å
456I88.4Confident82Confident70 Ų7073.8 Ų73.836%0.35941%0.409SS..EExtended strand (participates in β ladder)trans-115.2133.1176.4-174.3165.2000110.5L458 L460 L461 M481 L494I456-L458 PolarHBondContact O-N 3.42Å; I456-L460 HydrophobicContact CD1-CD2 4.24Å; I456-L460 HydrophobicContact CG1-CD2 4.2Å; I456-L461 HydrophobicContact CB-CD1 4.39Å; I456-L461 HydrophobicContact CD1-CD1 4.27Å; I456-L461 HydrophobicContact CD1-CD2 4.31Å; I456-L461 HydrophobicContact CD1-CG 3.82Å; I456-L461 HydrophobicContact CG1-CD1 4.14Å; I456-L461 HydrophobicContact CG1-CG 4.08Å; I456-L461 HydrophobicContact CG2-CD1 3.48Å; I456-L461 VanDerWaalsContact CG2-CD1 3.48Å; I456-L461 HydrophobicContact CG2-CG 4.25Å; I456-M481 HydrophobicContact CD1-CE 4.25Å; I456-M481 HydrophobicContact CD1-SD 3.58Å; I456-M481 VanDerWaalsContact CD1-SD 3.58Å; I456-L494 HydrophobicContact CD1-CD2 4.26Å
457S88.6Confident80.7Confident7 Ų779.3 Ų79.35%0.04944%0.438CS..  trans-63.1130.4175.31400000110.8N459 L460 L461 L494 Q499S457-N459 PolarHBondContact O-N 3.44Å; S457-N459 PolarHBondContact OG-N 3.5Å; S457-L460 WeakPolarHBondContact O-CB 3.3Å; S457-L460 PolarHBondContact O-N 2.9Å; S457-L460 VanDerWaalsContact O-N 3.12Å; S457-L460 PolarHBondContact OG-N 2.95Å; S457-L461 PolarHBondContact O-N 3.12Å; S457-L461 VanDerWaalsContact O-N 3.16Å; S457-L494 PolarHBondContact N-O 2.89Å; S457-Q499 PolarHBondContact OG-OE1 3.45Å
458L86.1Confident79.1Confident111 Ų11176.7 Ų76.758%0.58143%0.426SS*.Hα-helixtrans-58.5-32177.2-162.799.5000112I456 K462I456-L458 PolarHBondContact O-N 3.42Å; L458-K462 HydrophobicContact CD2-CD 4.15Å; L458-K462 VanDerWaalsContact CD2-CE 3.45Å; L458-K462 WeakPolarHBondContact O-CB 3.33Å; L458-K462 WeakPolarHBondContact O-CG 3.47Å; L458-K462 PolarHBondContact O-N 3.37Å
459N84Confident77.5Confident102 Ų10280.2 Ų80.255%0.54546%0.463SS..Hα-helixtrans-68.9-40.2178.7-69-18000111.4S457 K462 R463S457-N459 PolarHBondContact O-N 3.44Å; S457-N459 PolarHBondContact OG-N 3.5Å; N459-K462 PolarHBondContact O-N 3.29Å; N459-R463 WeakPolarHBondContact O-CB 3.47Å; N459-R463 PolarHBondContact O-N 2.95Å
460L85.3Confident76.5Confident2 Ų277 Ų771%0.0145%0.454CS..Hα-helixtrans-61.9-48.6175.3-17961.9000110.6I456 S457 K462 R463 E464 M481 H482 L494I456-L460 HydrophobicContact CD1-CD2 4.24Å; I456-L460 HydrophobicContact CG1-CD2 4.2Å; S457-L460 WeakPolarHBondContact O-CB 3.3Å; S457-L460 PolarHBondContact O-N 2.9Å; S457-L460 VanDerWaalsContact O-N 3.12Å; S457-L460 PolarHBondContact OG-N 2.95Å; L460-K462 PolarHBondContact O-N 3.15Å; L460-R463 PolarHBondContact O-N 3.23Å; L460-E464 HydrophobicContact CD1-CG 4.46Å; L460-E464 WeakPolarHBondContact O-CG 3.45Å; L460-E464 PolarHBondContact O-N 3.11Å; L460-E464 VanDerWaalsContact O-N 3.1Å; L460-M481 HydrophobicContact CD2-CG 4.49Å; L460-M481 HydrophobicContact CD2-SD 3.95Å; L460-M481 HydrophobicContact CG-CG 4.49Å; L460-M481 HydrophobicContact CG-SD 3.95Å; L460-H482 WeakPolarHBondContact CD1-O 3.4Å; L460-L494 HydrophobicContact CD2-CD2 4.06Å; L460-L494 HydrophobicContact CD2-CG 3.9Å
461L84.8Confident75.9Confident64 Ų6479.3 Ų79.334%0.33547%0.469SS..Hα-helixtrans-55.7-48.8175.4-88.8158.1000112.6I456 S457 R463 E464 M465I456-L461 HydrophobicContact CB-CD1 4.39Å; I456-L461 HydrophobicContact CD1-CD1 4.27Å; I456-L461 HydrophobicContact CD1-CD2 4.31Å; I456-L461 HydrophobicContact CD1-CG 3.82Å; I456-L461 HydrophobicContact CG1-CD1 4.14Å; I456-L461 HydrophobicContact CG1-CG 4.08Å; I456-L461 HydrophobicContact CG2-CD1 3.48Å; I456-L461 VanDerWaalsContact CG2-CD1 3.48Å; I456-L461 HydrophobicContact CG2-CG 4.25Å; S457-L461 PolarHBondContact O-N 3.12Å; S457-L461 VanDerWaalsContact O-N 3.16Å; L461-R463 PolarHBondContact O-N 2.79Å; L461-E464 PolarHBondContact O-N 3.38Å; L461-M465 VanDerWaalsContact O-CG 3.27Å; L461-M465 WeakPolarHBondContact O-CG 3.49Å; L461-M465 PolarHBondContact O-N 3.33Å
462K82.8Confident75.3Confident128 Ų12882.7 Ų82.756%0.55748%0.48SS*.Hα-helixtrans-62.3-41.5-179.8-77.5177.2175.2179.80112.6L458 N459 L460 M465 A466L458-K462 HydrophobicContact CD2-CD 4.15Å; L458-K462 VanDerWaalsContact CD2-CE 3.45Å; L458-K462 WeakPolarHBondContact O-CB 3.33Å; L458-K462 WeakPolarHBondContact O-CG 3.47Å; L458-K462 PolarHBondContact O-N 3.37Å; N459-K462 PolarHBondContact O-N 3.29Å; L460-K462 PolarHBondContact O-N 3.15Å; K462-M465 PolarHBondContact O-N 2.85Å; K462-A466 PolarHBondContact O-N 3.45Å
463R80Confident74.7Confident127 Ų12782.4 Ų82.448%0.47948%0.48SS..Hα-helixtrans-60.1-48.6176.9176.2179.3171.1161-1.3111.1N459 L460 L461 M465 A466 L467 E498N459-R463 WeakPolarHBondContact O-CB 3.47Å; N459-R463 PolarHBondContact O-N 2.95Å; L460-R463 PolarHBondContact O-N 3.23Å; L461-R463 PolarHBondContact O-N 2.79Å; R463-M465 VanDerWaalsContact C-N 3.35Å; R463-M465 PolarHBondContact O-N 3.23Å; R463-A466 WeakPolarHBondContact O-CB 3.33Å; R463-A466 PolarHBondContact O-N 3.16Å; R463-A466 VanDerWaalsContact O-N 3.14Å; R463-L467 HydrophobicContact CG-CD1 4.1Å; R463-L467 WeakPolarHBondContact O-CG 3.41Å; R463-L467 PolarHBondContact O-N 2.99Å; R463-E498 IonicContact NH1-OE1 3.8Å
464E78.4Confident74.1Confident43 Ų4380.3 Ų80.320%0.20146%0.463CS..Hα-helixtrans-67.4-35.6-179-68.1-61.6148.200112.8L460 L461 A466 G468 M481L460-E464 HydrophobicContact CD1-CG 4.46Å; L460-E464 WeakPolarHBondContact O-CG 3.45Å; L460-E464 PolarHBondContact O-N 3.11Å; L460-E464 VanDerWaalsContact O-N 3.1Å; L461-E464 PolarHBondContact O-N 3.38Å; E464-A466 VanDerWaalsContact C-N 3.3Å; E464-A466 PolarHBondContact O-N 3.39Å; E464-G468 PolarHBondContact O-N 3Å; E464-M481 HydrophobicContact CB-CE 4Å; E464-M481 HydrophobicContact CG-CB 4.47Å; E464-M481 HydrophobicContact CG-CE 3.9Å; E464-M481 HydrophobicContact CG-CG 3.82Å; E464-M481 HydrophobicContact CG-SD 4.17Å
465M75Confident73Confident109 Ų10983.3 Ų83.354%0.53748%0.484SS..Hα-helixtrans-63.4-37.2171.7-72.1-177.373.700112.1L461 K462 R463 G468L461-M465 VanDerWaalsContact O-CG 3.27Å; L461-M465 WeakPolarHBondContact O-CG 3.49Å; L461-M465 PolarHBondContact O-N 3.33Å; K462-M465 PolarHBondContact O-N 2.85Å; R463-M465 VanDerWaalsContact C-N 3.35Å; R463-M465 PolarHBondContact O-N 3.23Å; M465-G468 PolarHBondContact O-N 3.41Å
466A73Confident72Confident82 Ų8286.8 Ų86.868%0.67849%0.494SS*.Hα-helixtrans-72.1-38.817900000113.1K462 R463 E464 G468K462-A466 PolarHBondContact O-N 3.45Å; R463-A466 WeakPolarHBondContact O-CB 3.33Å; R463-A466 PolarHBondContact O-N 3.16Å; R463-A466 VanDerWaalsContact O-N 3.14Å; E464-A466 VanDerWaalsContact C-N 3.3Å; E464-A466 PolarHBondContact O-N 3.39Å; A466-G468 PolarHBondContact O-N 3.33Å
467L68Low70.9Confident121 Ų12190.5 Ų90.563%0.63451%0.507SS*.Hα-helixtrans-65.6-24.2175.4-70.1167.6000112.5R463 G469R463-L467 HydrophobicContact CG-CD1 4.1Å; R463-L467 WeakPolarHBondContact O-CG 3.41Å; R463-L467 PolarHBondContact O-N 2.99Å; L467-G469 VanDerWaalsContact C-N 3.29Å; L467-G469 PolarHBondContact O-N 3.14Å
468G60.5Low69.8Low18 Ų1896.1 Ų96.119%0.18654%0.544CS..THydrogen-bonded Turntrans-74.41.3-172.700000117.9E464 M465 A466 G470 R479E464-G468 PolarHBondContact O-N 3Å; M465-G468 PolarHBondContact O-N 3.41Å; A466-G468 PolarHBondContact O-N 3.33Å; G468-G470 PolarHBondContact O-N 3.1Å; G468-R479 PolarHBondContact O-NH1 3.22Å; G468-R479 PolarHBondContact O-NH2 3.41Å
469G55.1Low69Low79 Ų7996.8 Ų96.881%0.81454%0.539SS*.THydrogen-bonded Turntrans58.713.4174.300000116.3L467L467-G469 VanDerWaalsContact C-N 3.29Å; L467-G469 PolarHBondContact O-N 3.14Å
470G58.5Low68.3Low33 Ų3397.2 Ų97.234%0.3455%0.545SS..SBendtrans-175.1159.3-177.400000113G468 L472G468-G470 PolarHBondContact O-N 3.1Å; G470-L472 VanDerWaalsContact C-N 3.31Å; G470-L472 PolarHBondContact O-N 3.14Å
471P57.2Low67.8Low118 Ų118100.6 Ų100.677%0.76656%0.562SS**SBendtrans-72.3-14.1-166.224.7-32.2000115.4
472L58.4Low67.6Low140 Ų140104.6 Ų104.673%0.73358%0.578SS**SBendtrans-144.7141.4-179.5-69.8169.4000111.9G470G470-L472 VanDerWaalsContact C-N 3.31Å; G470-L472 PolarHBondContact O-N 3.14Å
473P58.8Low67.8Low85 Ų85100 Ų10055%0.55257%0.568SS**  trans-65.3134171.725.4-30.2000110.5P475P473-P475 WeakPolarHBondContact O-CD 3.3Å
474D61.8Low68.2Low68 Ų6896.4 Ų96.436%0.36456%0.56SS.*  trans-69.9117.6172.5176.5-3.1000108.9K476 K477D474-K476 PolarHBondContact O-N 3.4Å; D474-K476 WeakPolarHBondContact OD1-CB 3.31Å; D474-K476 PolarHBondContact OD1-N 3.27Å; D474-K477 HydrophobicContact CB-CB 4.24Å; D474-K477 CarbonylContact O-C 3.52Å; D474-K477 PolarHBondContact O-N 3.29Å
475P61.4Low68.8Low132 Ų13298.2 Ų98.286%0.85757%0.571SS**THydrogen-bonded Turntrans-62.3-14.6-178.524.3-32.8000113.6P473P473-P475 WeakPolarHBondContact O-CD 3.3Å
476K65.9Low69.4Low184 Ų18494 Ų9480%0.855%0.55SS*.THydrogen-bonded Turntrans-90.1-10174.7-62.3-176178-178.30113.6D474D474-K476 PolarHBondContact O-N 3.4Å; D474-K476 WeakPolarHBondContact OD1-CB 3.31Å; D474-K476 PolarHBondContact OD1-N 3.27Å
477K65.6Low70.1Confident147 Ų14797.1 Ų97.164%0.63955%0.552SS**SBendtrans-124.486.9179.2-69.5-175.5179.1-178.60109.4D474 R479D474-K477 HydrophobicContact CB-CB 4.24Å; D474-K477 CarbonylContact O-C 3.52Å; D474-K477 PolarHBondContact O-N 3.29Å; K477-R479 PolarHBondContact O-N 3.02Å
478P64.5Low70.7Confident126 Ų12698 Ų9882%0.81855%0.551SS**  trans-55134.8174.323.5-32.3000109.6
479R69.3Low71.5Confident125 Ų125106 Ų10647%0.47258%0.583SS.*  trans-106.2130.2177.1-66.9-178.3177.8-179.9-7.1108.7G468 K477G468-R479 PolarHBondContact O-NH1 3.22Å; G468-R479 PolarHBondContact O-NH2 3.41Å; K477-R479 PolarHBondContact O-N 3.02Å
480T70.6Confident72.2Confident111 Ų111110.6 Ų110.668%0.68159%0.589SS**  trans-74.8125.6174.3-47.50000108.8
481M75.3Confident73.1Confident73 Ų73112 Ų11236%0.3659%0.594SS.*  trans-107.9129.2172.1173.2177.1-4700108.5I456 L460 E464I456-M481 HydrophobicContact CD1-CE 4.25Å; I456-M481 HydrophobicContact CD1-SD 3.58Å; I456-M481 VanDerWaalsContact CD1-SD 3.58Å; L460-M481 HydrophobicContact CD2-CG 4.49Å; L460-M481 HydrophobicContact CD2-SD 3.95Å; L460-M481 HydrophobicContact CG-CG 4.49Å; L460-M481 HydrophobicContact CG-SD 3.95Å; E464-M481 HydrophobicContact CB-CE 4Å; E464-M481 HydrophobicContact CG-CB 4.47Å; E464-M481 HydrophobicContact CG-CE 3.9Å; E464-M481 HydrophobicContact CG-CG 3.82Å; E464-M481 HydrophobicContact CG-SD 4.17Å
482H79.6Confident74.6Confident147 Ų147108.2 Ų108.268%0.68157%0.567SS**  trans-99.5127.7175.2-64.7-82.7000109.8L460L460-H482 WeakPolarHBondContact CD1-O 3.4Å
483G86.6Confident76Confident33 Ų33104.6 Ų104.634%0.3455%0.546SS..  trans-150.5158.9177.500000111.2V495G483-V495 CarbonylContact C-O 3.54Å; G483-V495 WeakPolarHBondContact CA-O 3.39Å
484T88.9Confident77.6Confident50 Ų50102.7 Ų102.731%0.30753%0.531SS..EExtended strand (participates in β ladder)trans-97.9121.9173-57.60000108.5V495 S497 A500T484-V495 PolarHBondContact N-O 3.43Å; T484-V495 PolarHBondContact O-N 2.79Å; T484-S497 WeakPolarHBondContact OG1-CA 3.37Å; T484-S497 PolarHBondContact OG1-OG 2.92Å; T484-S497 VanDerWaalsContact OG1-OG 3.08Å; T484-A500 HydrophobicContact CG2-CB 3.62Å
485L90.6Very high79Confident82 Ų8299.5 Ų99.543%0.42951%0.513SS..EExtended strand (participates in β ladder)trans-82.2115.3175.2-175.668.1000109.2V454 M487 L492 L494V454-L485 HydrophobicContact CG1-CD1 3.56Å; V454-L485 HydrophobicContact CG2-CD1 4.44Å; L485-M487 HydrophobicContact CD2-CG 4.36Å; L485-M487 HydrophobicContact CD2-SD 4.42Å; L485-M487 HydrophobicContact CG-CG 4.29Å; L485-L492 HydrophobicContact CD1-CB 4.43Å; L485-L492 HydrophobicContact CD1-CD2 4.1Å; L485-L492 HydrophobicContact CD2-CD2 4.01Å; L485-L492 HydrophobicContact CG-CD2 4.13Å; L485-L494 HydrophobicContact CB-CD1 4.29Å
486I88.9Confident80.2Confident19 Ų1994 Ų9410%0.09748%0.478CS..EExtended strand (participates in β ladder)trans-93.6126.6169.5-60.1176000107.8K488 K493 V495 A500 E503I486-K488 HydrophobicContact CG2-CB 4.42Å; I486-K493 PolarHBondContact N-O 3.32Å; I486-K493 PolarHBondContact O-N 3.22Å; I486-V495 HydrophobicContact CD1-CG1 4.48Å; I486-V495 HydrophobicContact CD1-CG2 3.56Å; I486-V495 HydrophobicContact CG1-CG2 3.93Å; I486-A500 HydrophobicContact CD1-CB 4.01Å; I486-A500 HydrophobicContact CG1-CB 4.19Å; I486-E503 HydrophobicContact CD1-CB 4.09Å; I486-E503 WeakPolarHBondContact CD1-OE2 3.46Å
487M87.4Confident81.1Confident148 Ų14888.6 Ų88.673%0.72946%0.463SS*.EExtended strand (participates in β ladder)trans-109.1111.5172.2-43.6-163.7-82.200107.5L485 L492L485-M487 HydrophobicContact CD2-CG 4.36Å; L485-M487 HydrophobicContact CD2-SD 4.42Å; L485-M487 HydrophobicContact CG-CG 4.29Å; M487-L492 HydrophobicContact CB-CD2 3.98Å; M487-L492 HydrophobicContact CG-CD2 3.42Å; M487-L492 VanDerWaalsContact CG-CD2 3.42Å; M487-L492 HydrophobicContact SD-CD2 3.73Å
488K80.1Confident81.9Confident141 Ų14188 Ų8861%0.61346%0.463SS*.EExtended strand (participates in β ladder)trans-134121.9178.2-168.3178.7179.8-177.70109.9I486 N490 S491I486-K488 HydrophobicContact CG2-CB 4.42Å; K488-N490 PolarHBondContact O-N 3.1Å; K488-N490 VanDerWaalsContact O-N 3.09Å; K488-S491 PolarHBondContact N-O 3.15Å; K488-S491 PolarHBondContact O-N 3.37Å; K488-S491 PolarHBondContact O-OG 3.24Å
489E77.1Confident83Confident184 Ų18483.9 Ų83.986%0.8643%0.433SS*.THydrogen-bonded Turntrans52.1-110.1-175.7-62.1169.8-162.100111
490N69.8Low83.9Confident176 Ų17678.1 Ų78.194%0.94141%0.412SS*.THydrogen-bonded Turntrans-108.212179.1-76.1-0.5000113.4K488K488-N490 PolarHBondContact O-N 3.1Å; K488-N490 VanDerWaalsContact O-N 3.09Å
491S78.1Confident84.7Confident63 Ų6375.2 Ų75.244%0.44139%0.392SS..EExtended strand (participates in β ladder)trans-114.9135-179.369.90000111.6K488K488-S491 PolarHBondContact N-O 3.15Å; K488-S491 PolarHBondContact O-N 3.37Å; K488-S491 PolarHBondContact O-OG 3.24Å
492L87.3Confident85.3Confident38 Ų3880.3 Ų80.320%0.19941%0.412CS..EExtended strand (participates in β ladder)trans-114.1120.8174.4-77.9152.5000108V452 V454 D455 L485 M487V452-L492 HydrophobicContact CB-CD1 4.43Å; V452-L492 HydrophobicContact CG1-CD1 3.05Å; V454-L492 CarbonylContact C-O 3.29Å; V454-L492 WeakPolarHBondContact CA-O 3.42Å; V454-L492 HydrophobicContact CB-CB 4.49Å; V454-L492 HydrophobicContact CG1-CB 4.43Å; V454-L492 HydrophobicContact CG2-CB 4.1Å; D455-L492 PolarHBondContact N-O 3.41Å; L485-L492 HydrophobicContact CD1-CB 4.43Å; L485-L492 HydrophobicContact CD1-CD2 4.1Å; L485-L492 HydrophobicContact CD2-CD2 4.01Å; L485-L492 HydrophobicContact CG-CD2 4.13Å; M487-L492 HydrophobicContact CB-CD2 3.98Å; M487-L492 HydrophobicContact CG-CD2 3.42Å; M487-L492 VanDerWaalsContact CG-CD2 3.42Å; M487-L492 HydrophobicContact SD-CD2 3.73Å
493K89.3Confident85.7Confident65 Ų6577.7 Ų77.728%0.28340%0.4SS..EExtended strand (participates in β ladder)trans-132.2121.5-176-167-173175.8-1670110.3D455 I486 V495 E503D455-K493 HydrophobicContact CB-CG 4.25Å; D455-K493 CarbonylContact O-C 3.6Å; D455-K493 VanDerWaalsContact O-CA 3.26Å; D455-K493 WeakPolarHBondContact O-CA 3.32Å; I486-K493 PolarHBondContact N-O 3.32Å; I486-K493 PolarHBondContact O-N 3.22Å; K493-V495 HydrophobicContact CD-CG1 3.76Å; K493-V495 HydrophobicContact CG-CG1 3.76Å; K493-E503 IonicContact NZ-OE1 3.95Å; K493-E503 PolarHBondContact NZ-OE1 2.9Å; K493-E503 IonicContact NZ-OE2 3.52Å
494L91.3Very high85.6Confident45 Ų4581 Ų8124%0.23641%0.41CS..EExtended strand (participates in β ladder)trans-85.3118.1171.2-16771.3000109.3V454 D455 I456 S457 L460 L485V454-L494 HydrophobicContact CG1-CB 3.97Å; D455-L494 PolarHBondContact O-N 3.37Å; I456-L494 HydrophobicContact CD1-CD2 4.26Å; S457-L494 PolarHBondContact N-O 2.89Å; L460-L494 HydrophobicContact CD2-CD2 4.06Å; L460-L494 HydrophobicContact CD2-CG 3.9Å; L485-L494 HydrophobicContact CB-CD1 4.29Å
495V91.2Very high85.6Confident0 Ų081.9 Ų81.90%043%0.428CS..EExtended strand (participates in β ladder)trans-129167.9-179.2-57.10000111.5G483 T484 I486 K493 Q499 A500G483-V495 CarbonylContact C-O 3.54Å; G483-V495 WeakPolarHBondContact CA-O 3.39Å; T484-V495 PolarHBondContact N-O 3.43Å; T484-V495 PolarHBondContact O-N 2.79Å; I486-V495 HydrophobicContact CD1-CG1 4.48Å; I486-V495 HydrophobicContact CD1-CG2 3.56Å; I486-V495 HydrophobicContact CG1-CG2 3.93Å; K493-V495 HydrophobicContact CD-CG1 3.76Å; K493-V495 HydrophobicContact CG-CG1 3.76Å; V495-Q499 HydrophobicContact CB-CB 4.2Å; V495-Q499 HydrophobicContact CB-CG 4.11Å; V495-Q499 HydrophobicContact CG1-CG 4.37Å; V495-Q499 HydrophobicContact CG2-CB 4.41Å; V495-Q499 HydrophobicContact CG2-CG 4.45Å; V495-A500 HydrophobicContact CG2-CB 3.71Å
496S87.4Confident85.4Confident17 Ų1782.7 Ų82.712%0.11943%0.432CS..  trans-67.6151.7168.2590000111E498 Q499 A500S496-E498 VanDerWaalsContact C-N 3.3Å; S496-E498 PolarHBondContact O-N 3.1Å; S496-Q499 WeakPolarHBondContact O-CB 3.25Å; S496-Q499 PolarHBondContact O-N 3.47Å; S496-Q499 VanDerWaalsContact OG-CB 3.23Å; S496-Q499 WeakPolarHBondContact OG-CB 3.5Å; S496-Q499 PolarHBondContact OG-N 2.88Å; S496-A500 PolarHBondContact O-N 3.38Å
497S84.3Confident85.2Confident70 Ų7089.2 Ų89.249%0.4947%0.468SS..Hα-helixtrans-56.9-39.2179.6-51.60000113.7T484 Q499 A500 L501T484-S497 WeakPolarHBondContact OG1-CA 3.37Å; T484-S497 PolarHBondContact OG1-OG 2.92Å; T484-S497 VanDerWaalsContact OG1-OG 3.08Å; S497-Q499 PolarHBondContact O-N 3.39Å; S497-A500 PolarHBondContact O-N 3.27Å; S497-L501 WeakPolarHBondContact O-CG 3.42Å; S497-L501 PolarHBondContact O-N 2.88Å
498E83.2Confident84.9Confident136 Ų13687.4 Ų87.464%0.63646%0.457SS*.Hα-helixtrans-59.9-45.4174.4-67.6163.7-141.200112.3R463 S496 A500 L501 K502R463-E498 IonicContact NH1-OE1 3.8Å; S496-E498 VanDerWaalsContact C-N 3.3Å; S496-E498 PolarHBondContact O-N 3.1Å; E498-A500 VanDerWaalsContact C-N 3.32Å; E498-L501 PolarHBondContact O-N 3.4Å; E498-K502 PolarHBondContact O-N 3.26Å; E498-K502 VanDerWaalsContact O-N 3.08Å
499Q85.8Confident85Confident38 Ų3888 Ų8818%0.17846%0.462CS..Hα-helixtrans-65.3-37.3175.9-1781711.600111.3S457 V495 S496 S497 K502 E503S457-Q499 PolarHBondContact OG-OE1 3.45Å; V495-Q499 HydrophobicContact CB-CB 4.2Å; V495-Q499 HydrophobicContact CB-CG 4.11Å; V495-Q499 HydrophobicContact CG1-CG 4.37Å; V495-Q499 HydrophobicContact CG2-CB 4.41Å; V495-Q499 HydrophobicContact CG2-CG 4.45Å; S496-Q499 WeakPolarHBondContact O-CB 3.25Å; S496-Q499 PolarHBondContact O-N 3.47Å; S496-Q499 VanDerWaalsContact OG-CB 3.23Å; S496-Q499 WeakPolarHBondContact OG-CB 3.5Å; S496-Q499 PolarHBondContact OG-N 2.88Å; S497-Q499 PolarHBondContact O-N 3.39Å; Q499-K502 PolarHBondContact O-N 2.94Å; Q499-E503 HydrophobicContact CG-CG 4.23Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.49Å; Q499-E503 PolarHBondContact NE2-OE1 2.79Å; Q499-E503 WeakPolarHBondContact O-CB 3.48Å; Q499-E503 WeakPolarHBondContact O-CG 3.31Å; Q499-E503 PolarHBondContact O-N 3.26Å
500A88.5Confident85.2Confident4 Ų487.2 Ų87.23%0.03346%0.458CS..Hα-helixtrans-64.2-45.8176.700000112.6T484 I486 V495 S496 S497 E498 K502 E503 L504T484-A500 HydrophobicContact CG2-CB 3.62Å; I486-A500 HydrophobicContact CD1-CB 4.01Å; I486-A500 HydrophobicContact CG1-CB 4.19Å; V495-A500 HydrophobicContact CG2-CB 3.71Å; S496-A500 PolarHBondContact O-N 3.38Å; S497-A500 PolarHBondContact O-N 3.27Å; E498-A500 VanDerWaalsContact C-N 3.32Å; A500-K502 VanDerWaalsContact C-N 3.3Å; A500-K502 PolarHBondContact O-N 3.35Å; A500-E503 PolarHBondContact O-N 3.39Å; A500-L504 VanDerWaalsContact O-CB 3.3Å; A500-L504 WeakPolarHBondContact O-CB 3.22Å; A500-L504 VanDerWaalsContact O-CG 3.25Å; A500-L504 WeakPolarHBondContact O-CG 3.45Å; A500-L504 PolarHBondContact O-N 3.12Å
501L88.5Confident85.9Confident51 Ų5182 Ų8227%0.26743%0.43SS..Hα-helixtrans-57.6-45.9174.8-70.9171.3000111S497 E498 L504 G505 L506 E508S497-L501 WeakPolarHBondContact O-CG 3.42Å; S497-L501 PolarHBondContact O-N 2.88Å; E498-L501 PolarHBondContact O-N 3.4Å; L501-L504 PolarHBondContact O-N 2.9Å; L501-G505 PolarHBondContact O-N 3.38Å; L501-L506 CarbonylContact C-O 3.55Å; L501-L506 HydrophobicContact CD2-CB 3.94Å; L501-L506 PolarHBondContact O-N 3.33Å; L501-L506 VanDerWaalsContact O-O 3.12Å; L501-E508 HydrophobicContact CD1-CB 3.76Å; L501-E508 HydrophobicContact CD1-CG 4.11Å
502K87.6Confident86.4Confident179 Ų17986 Ų8678%0.77844%0.436SS*.Hα-helixtrans-63.1-45.1177.3-170.4178-179.5178.50113.2E498 Q499 A500 L504 G505E498-K502 PolarHBondContact O-N 3.26Å; E498-K502 VanDerWaalsContact O-N 3.08Å; Q499-K502 PolarHBondContact O-N 2.94Å; A500-K502 VanDerWaalsContact C-N 3.3Å; A500-K502 PolarHBondContact O-N 3.35Å; K502-L504 VanDerWaalsContact C-N 3.34Å; K502-G505 PolarHBondContact O-N 3.07Å
503E86.9Confident86.6Confident93 Ų9387.8 Ų87.844%0.43544%0.442SS..Hα-helixtrans-68.8-32.2179.8-75.1-173.8-164.600112.1I486 K493 Q499 A500 G505I486-E503 HydrophobicContact CD1-CB 4.09Å; I486-E503 WeakPolarHBondContact CD1-OE2 3.46Å; K493-E503 IonicContact NZ-OE1 3.95Å; K493-E503 PolarHBondContact NZ-OE1 2.9Å; K493-E503 IonicContact NZ-OE2 3.52Å; Q499-E503 HydrophobicContact CG-CG 4.23Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.49Å; Q499-E503 PolarHBondContact NE2-OE1 2.79Å; Q499-E503 WeakPolarHBondContact O-CB 3.48Å; Q499-E503 WeakPolarHBondContact O-CG 3.31Å; Q499-E503 PolarHBondContact O-N 3.26Å; A500-E503 PolarHBondContact O-N 3.39Å; E503-G505 VanDerWaalsContact C-N 3.33Å
504L85.9Confident86.7Confident103 Ų10388.5 Ų88.554%0.53945%0.452SS..Hα-helixtrans-83.6-6176-66.1171.3000113.4A500 L501 K502 L506A500-L504 VanDerWaalsContact O-CB 3.3Å; A500-L504 WeakPolarHBondContact O-CB 3.22Å; A500-L504 VanDerWaalsContact O-CG 3.25Å; A500-L504 WeakPolarHBondContact O-CG 3.45Å; A500-L504 PolarHBondContact O-N 3.12Å; L501-L504 PolarHBondContact O-N 2.9Å; K502-L504 VanDerWaalsContact C-N 3.34Å; L504-L506 HydrophobicContact CB-CB 4.46Å; L504-L506 HydrophobicContact CB-CD1 3.84Å; L504-L506 HydrophobicContact CB-CG 3.85Å; L504-L506 HydrophobicContact CD1-CD1 4.08Å; L504-L506 PolarHBondContact O-N 3.16Å
505G88.2Confident86.6Confident67 Ų6787.8 Ų87.869%0.69145%0.45SS*.THydrogen-bonded Turntrans65.125.9-175.100000113.2L501 K502 E503L501-G505 PolarHBondContact O-N 3.38Å; K502-G505 PolarHBondContact O-N 3.07Å; E503-G505 VanDerWaalsContact C-N 3.33Å
506L87.5Confident86.7Confident99 Ų9997.4 Ų97.452%0.51849%0.486SS..PPolyproline II helixtrans-100.5145.5-179.8-62.1175.8000110L501 L504L501-L506 CarbonylContact C-O 3.55Å; L501-L506 HydrophobicContact CD2-CB 3.94Å; L501-L506 PolarHBondContact O-N 3.33Å; L501-L506 VanDerWaalsContact O-O 3.12Å; L504-L506 HydrophobicContact CB-CB 4.46Å; L504-L506 HydrophobicContact CB-CD1 3.84Å; L504-L506 HydrophobicContact CB-CG 3.85Å; L504-L506 HydrophobicContact CD1-CD1 4.08Å; L504-L506 PolarHBondContact O-N 3.16Å
507N84.3Confident86.8Confident156 Ų15696.7 Ų96.783%0.83448%0.482SS*.PPolyproline II helixtrans-90.5149.6167.2-65.1-44.3000109.4H509N507-H509 PolarHBondContact O-N 3.4Å
508E80.1Confident87.1Confident110 Ų110100.8 Ų100.851%0.51449%0.493SS..PPolyproline II helixtrans-61.3127.2173.1-168178.5-173.900109.8L501 Q510 Q581L501-E508 HydrophobicContact CD1-CB 3.76Å; L501-E508 HydrophobicContact CD1-CG 4.11Å; E508-Q510 PolarHBondContact O-N 3.11Å; E508-Q510 VanDerWaalsContact O-N 3.16Å; E508-Q581 PolarHBondContact OE1-NE2 3.26Å
509H82.3Confident87.3Confident154 Ų15495 Ų9571%0.71347%0.466SS*.  trans-78102.7174.7-169.5-178.6000108.9N507 L511N507-H509 PolarHBondContact O-N 3.4Å; H509-L511 PolarHBondContact O-N 3Å
510Q81Confident87.4Confident168 Ų16899.4 Ų99.479%0.78549%0.487SS*.  trans-76.290.8175.8-66.5-160.1-13.300110.6E508E508-Q510 PolarHBondContact O-N 3.11Å; E508-Q510 VanDerWaalsContact O-N 3.16Å
511L85.8Confident87.2Confident66 Ų6699.4 Ų99.435%0.34649%0.486SS..  trans-90.3121.9175.6-156.398.2000109.7H509 F513 S579 Y580H509-L511 PolarHBondContact O-N 3Å; L511-F513 HydrophobicContact CD2-CD1 4.46Å; L511-F513 HydrophobicContact CD2-CD2 4.34Å; L511-F513 HydrophobicContact CD2-CE1 3.71Å; L511-F513 HydrophobicContact CD2-CE2 3.59Å; L511-F513 HydrophobicContact CD2-CZ 3.22Å; L511-S579 WeakPolarHBondContact O-CA 3.49Å; L511-Y580 HydrophobicContact CD2-CD2 4.18Å; L511-Y580 PolarHBondContact O-N 3.14Å
512R88.4Confident87.1Confident148 Ų148101.6 Ų101.656%0.55850%0.504SS*.EExtended strand (participates in β ladder)trans-118.1115177.1-167.9172.3-177.4134.98.5109.6S577 W578R512-S577 PolarHBondContact NE-OG 2.88Å; R512-W578 CarbonylContact C-O 3.55Å; R512-W578 WeakPolarHBondContact CA-O 3.43Å; R512-W578 WeakPolarHBondContact CG-O 3.48Å
513F90.1Very high87.1Confident74 Ų7497.2 Ų97.233%0.32549%0.485SS..EExtended strand (participates in β ladder)trans-80.9139.5172.6-63.6-76.9000109.4L511 S577 W578 Y580 E583L511-F513 HydrophobicContact CD2-CD1 4.46Å; L511-F513 HydrophobicContact CD2-CD2 4.34Å; L511-F513 HydrophobicContact CD2-CE1 3.71Å; L511-F513 HydrophobicContact CD2-CE2 3.59Å; L511-F513 HydrophobicContact CD2-CZ 3.22Å; F513-S577 CarbonylContact O-C 3.24Å; F513-S577 VanDerWaalsContact O-CA 3.25Å; F513-S577 WeakPolarHBondContact O-CA 3.34Å; F513-S577 PolarHBondContact O-OG 3.33Å; F513-W578 HydrophobicContact CB-CD2 4.11Å; F513-W578 HydrophobicContact CB-CG 4.45Å; F513-W578 HydrophobicContact CB-CZ2 3.95Å; F513-W578 AromaticContact CD2-NE1 3.65Å; F513-W578 PolarHBondContact N-O 3.18Å; F513-W578 PolarHBondContact O-N 3.29Å; F513-Y580 AromaticContact CE2-CD2 3.71Å; F513-Y580 HydrophobicContact CE2-CD2 3.71Å; F513-Y580 HydrophobicContact CE2-CG 4.41Å; F513-Y580 HydrophobicContact CZ-CD2 4.04Å; F513-E583 HydrophobicContact CD2-CG 4.38Å; F513-E583 HydrophobicContact CE2-CB 4.37Å; F513-E583 HydrophobicContact CE2-CG 3.94Å
514T91.6Very high87.1Confident81 Ų8195.5 Ų95.550%0.49748%0.484SS..EExtended strand (participates in β ladder)trans-134.8124.1173.9-57.20000108.4L575 L576 S577T514-L575 HydrophobicContact CG2-CD1 3.46Å; T514-L575 VanDerWaalsContact CG2-CD1 3.46Å; T514-L575 HydrophobicContact CG2-CD2 4.48Å; T514-L575 HydrophobicContact CG2-CG 3.93Å; T514-L576 CarbonylContact C-O 3.57Å; T514-L576 VanDerWaalsContact CA-O 3.3Å; T514-L576 WeakPolarHBondContact CA-O 3.42Å; T514-S577 PolarHBondContact OG1-OG 3.16Å
515C91Very high87.2Confident29 Ų2993.1 Ų93.120%0.19647%0.472CS..EExtended strand (participates in β ladder)trans-122.8151.8176.581.70000110.9L576 W578 S590C515-L576 PolarHBondContact N-O 3.49Å; C515-L576 PolarHBondContact O-N 3.16Å; C515-W578 HydrophobicContact CB-CH2 4.06Å; C515-W578 HydrophobicContact CB-CZ3 4.31Å; C515-W578 VanDerWaalsContact SG-CZ3 3.55Å; C515-S590 PolarHBondContact SG-OG 2.89Å; C515-S590 VanDerWaalsContact SG-OG 3.37Å
516R91.6Very high87.1Confident202 Ų20293.6 Ų93.676%0.76247%0.465SS*.EExtended strand (participates in β ladder)trans-107.4122172.8-66.5-179.5-178.5177.6-0.3108.1V573 L574 L575R516-V573 HydrophobicContact CB-CG1 4.15Å; R516-V573 HydrophobicContact CG-CG1 4.25Å; R516-L574 CarbonylContact C-O 3.48Å; R516-L574 WeakPolarHBondContact CA-O 3.25Å; R516-L575 HydrophobicContact CG-CD1 3.94Å
517V90.8Very high87.2Confident3 Ų392.8 Ų92.82%0.01846%0.461CS..EExtended strand (participates in β ladder)trans-110.1127.9173.11770000107.9L574 L576 L593 K594V517-L574 HydrophobicContact CB-CB 4.17Å; V517-L574 HydrophobicContact CB-CD1 4.35Å; V517-L574 HydrophobicContact CG1-CD1 4.25Å; V517-L574 PolarHBondContact N-O 2.8Å; V517-L574 WeakPolarHBondContact O-CB 3.44Å; V517-L574 PolarHBondContact O-N 3.23Å; V517-L576 HydrophobicContact CB-CD1 4.26Å; V517-L576 HydrophobicContact CG2-CD1 3.94Å; V517-L593 HydrophobicContact CG1-CB 4.42Å; V517-K594 HydrophobicContact CG1-CB 4.47Å; V517-K594 HydrophobicContact CG1-CG 3.68Å; V517-K594 HydrophobicContact CG2-CG 4.18Å
518Q89.3Confident87.4Confident155 Ų15585.3 Ų85.372%0.72442%0.421SS*.EExtended strand (participates in β ladder)trans-91.4134.7174.3-71.4-178.7-22.600109.7K572Q518-K572 WeakPolarHBondContact CA-O 3.42Å
519L89Confident87.9Confident15 Ų1580.3 Ų80.38%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-131.7134.3179.5178.975.7000108.3D521 T528 K572 L574 L597L519-D521 HydrophobicContact CD2-CB 4.02Å; L519-D521 HydrophobicContact CG-CB 4.3Å; L519-T528 HydrophobicContact CD2-CG2 4.03Å; L519-K572 HydrophobicContact CB-CB 4.44Å; L519-K572 PolarHBondContact N-O 3.06Å; L519-K572 PolarHBondContact O-N 2.89Å; L519-L574 HydrophobicContact CB-CD1 4.21Å; L519-L574 HydrophobicContact CB-CG 4.45Å; L519-L574 HydrophobicContact CD2-CD1 4.44Å; L519-L597 HydrophobicContact CD1-CG 4.43Å; L519-L597 HydrophobicContact CD2-CD1 3.63Å; L519-L597 HydrophobicContact CD2-CG 3.9Å
520Q87.1Confident88.3Confident131 Ų13177.7 Ų77.761%0.61239%0.386SS*.EExtended strand (participates in β ladder)trans-86.7110.6168.9-77.9-71.9-18.700108.5D568 N570Q520-D568 PolarHBondContact NE2-OD2 2.91Å; Q520-N570 CarbonylContact C-O 3.59Å; Q520-N570 WeakPolarHBondContact CA-O 3.46Å; Q520-N570 PolarHBondContact OE1-O 2.86Å
521D85.1Confident88.8Confident4 Ų472.6 Ų72.62%0.02136%0.359CS..  trans-148.5114.6178.4-165.6-0.1000110.4L519 H523 T528 R531 N570 K572L519-D521 HydrophobicContact CD2-CB 4.02Å; L519-D521 HydrophobicContact CG-CB 4.3Å; D521-H523 PolarHBondContact O-N 3Å; D521-H523 IonicContact OD1-CE1 3.67Å; D521-H523 IonicContact OD1-CG 3.58Å; D521-H523 PolarHBondContact OD1-N 2.89Å; D521-H523 IonicContact OD1-ND1 2.67Å; D521-H523 PolarHBondContact OD1-ND1 3.41Å; D521-T528 HydrophobicContact CB-CG2 4.28Å; D521-T528 WeakPolarHBondContact OD2-CG2 3.27Å; D521-T528 PolarHBondContact OD2-OG1 3.5Å; D521-R531 IonicContact OD1-NH1 2.84Å; D521-R531 PolarHBondContact OD1-NH1 3.35Å; D521-R531 IonicContact OD2-CZ 3.86Å; D521-R531 IonicContact OD2-NH1 2.84Å; D521-R531 PolarHBondContact OD2-NH1 3.1Å; D521-N570 CarbonylContact C-O 3.38Å; D521-N570 PolarHBondContact N-O 3.32Å; D521-K572 HydrophobicContact CB-CG 4.05Å; D521-K572 WeakPolarHBondContact O-CE 3.41Å
522P84.8Confident89Confident97 Ų9769.4 Ų69.463%0.6334%0.342SS*.  trans-74.3-1.8-176.431-37.5000114.4
523H88.1Confident89.3Confident86 Ų8664.3 Ų64.340%0.39832%0.324SS..SBendtrans-79.8169.9-176.3-62.586.9000112.9D521 D527 R531 K572D521-H523 PolarHBondContact O-N 3Å; D521-H523 IonicContact OD1-CE1 3.67Å; D521-H523 IonicContact OD1-CG 3.58Å; D521-H523 PolarHBondContact OD1-N 2.89Å; D521-H523 IonicContact OD1-ND1 2.67Å; D521-H523 PolarHBondContact OD1-ND1 3.41Å; H523-D527 HydrophobicContact CB-CB 3.9Å; H523-R531 PolarHBondContact ND1-NH1 3.19Å; H523-K572 WeakPolarHBondContact O-CE 3.29Å; H523-K572 PolarHBondContact O-NZ 2.62Å
524S88.2Confident89.3Confident57 Ų5764.3 Ų64.340%0.39933%0.33SS..  trans-62.7159.5172.777.40000111.1S526 D527 T528S524-S526 PolarHBondContact O-N 2.86Å; S524-D527 PolarHBondContact O-N 3.2Å; S524-D527 WeakPolarHBondContact OG-CB 3.31Å; S524-D527 PolarHBondContact OG-N 3.21Å; S524-D527 VanDerWaalsContact OG-N 3.14Å; S524-D527 PolarHBondContact OG-OD2 3.2Å; S524-T528 WeakPolarHBondContact O-CB 2.82Å; S524-T528 PolarHBondContact O-N 2.95Å; S524-T528 PolarHBondContact O-OG1 3.37Å
525D87.1Confident89.4Confident53 Ų5361.8 Ų61.828%0.28331%0.312SS..Hα-helixtrans-60.2-36.5178.3-68.5-0.4000111.2L529 V562 S563 S564 K572D525-L529 VanDerWaalsContact O-CB 3.29Å; D525-L529 WeakPolarHBondContact O-CB 3.4Å; D525-L529 PolarHBondContact O-N 2.95Å; D525-V562 HydrophobicContact CB-CG1 4.35Å; D525-S563 WeakPolarHBondContact OD2-CA 3.21Å; D525-S564 PolarHBondContact OD1-N 2.79Å; D525-S564 PolarHBondContact OD1-OG 3.38Å; D525-S564 PolarHBondContact OD2-N 2.83Å; D525-S564 PolarHBondContact OD2-OG 2.88Å; D525-K572 WeakPolarHBondContact OD1-CD 3.28Å; D525-K572 IonicContact OD1-NZ 2.8Å; D525-K572 PolarHBondContact OD1-NZ 3.38Å
526S86.7Confident89.4Confident78 Ų7860.4 Ų60.455%0.54530%0.303SS..Hα-helixtrans-68.5-39.3177-170.10000112.6S524 H530S524-S526 PolarHBondContact O-N 2.86Å; S526-H530 WeakPolarHBondContact O-CB 3.44Å; S526-H530 PolarHBondContact O-N 3.37Å
527D88.1Confident89.4Confident81 Ų8156.7 Ų56.743%0.43329%0.292SS..Hα-helixtrans-71.4-41.9179.1-66.6-38.2000110.7H523 S524 L529 H530 R531H523-D527 HydrophobicContact CB-CB 3.9Å; S524-D527 PolarHBondContact O-N 3.2Å; S524-D527 WeakPolarHBondContact OG-CB 3.31Å; S524-D527 PolarHBondContact OG-N 3.21Å; S524-D527 VanDerWaalsContact OG-N 3.14Å; S524-D527 PolarHBondContact OG-OD2 3.2Å; D527-L529 VanDerWaalsContact C-N 3.31Å; D527-L529 PolarHBondContact O-N 2.93Å; D527-H530 PolarHBondContact O-N 3.06Å; D527-R531 WeakPolarHBondContact O-CG 3.46Å; D527-R531 PolarHBondContact O-N 3.48Å
528T88.6Confident89.4Confident0 Ų059.9 Ų59.90%031%0.314CS..Hα-helixtrans-57.6-46.8174.8-54.70000110.2L519 D521 S524 H530 R531 I532 V562 K572 L597L519-T528 HydrophobicContact CD2-CG2 4.03Å; D521-T528 HydrophobicContact CB-CG2 4.28Å; D521-T528 WeakPolarHBondContact OD2-CG2 3.27Å; D521-T528 PolarHBondContact OD2-OG1 3.5Å; S524-T528 WeakPolarHBondContact O-CB 2.82Å; S524-T528 PolarHBondContact O-N 2.95Å; S524-T528 PolarHBondContact O-OG1 3.37Å; T528-H530 PolarHBondContact O-N 2.98Å; T528-R531 PolarHBondContact O-N 2.95Å; T528-I532 HydrophobicContact CG2-CD1 4.11Å; T528-I532 VanDerWaalsContact O-CG1 3.32Å; T528-I532 WeakPolarHBondContact O-CG1 3.13Å; T528-I532 PolarHBondContact O-N 3.1Å; T528-V562 HydrophobicContact CG2-CG1 3.97Å; T528-V562 HydrophobicContact CG2-CG2 4.5Å; T528-K572 HydrophobicContact CG2-CG 4.15Å; T528-L597 HydrophobicContact CG2-CD1 4.45Å
529L90.6Very high89.4Confident4 Ų455.1 Ų55.12%0.02130%0.296CS..Hα-helixtrans-62.4-40.8177-173.978.2000111.9D525 D527 I532 Y533 H547 G551 V553 V562D525-L529 VanDerWaalsContact O-CB 3.29Å; D525-L529 WeakPolarHBondContact O-CB 3.4Å; D525-L529 PolarHBondContact O-N 2.95Å; D527-L529 VanDerWaalsContact C-N 3.31Å; D527-L529 PolarHBondContact O-N 2.93Å; L529-I532 WeakPolarHBondContact O-CB 3.38Å; L529-I532 PolarHBondContact O-N 3.02Å; L529-Y533 PolarHBondContact O-N 3.48Å; L529-H547 WeakPolarHBondContact CD2-NE2 3.46Å; L529-G551 WeakPolarHBondContact CD2-O 3.3Å; L529-V553 HydrophobicContact CD1-CB 4.12Å; L529-V553 HydrophobicContact CD1-CG2 3.63Å; L529-V553 HydrophobicContact CD2-CG2 4.36Å; L529-V553 HydrophobicContact CG-CG2 3.71Å; L529-V562 HydrophobicContact CB-CB 4.48Å; L529-V562 HydrophobicContact CB-CG2 3.88Å; L529-V562 HydrophobicContact CD1-CB 4.5Å; L529-V562 HydrophobicContact CD1-CG2 3.59Å; L529-V562 HydrophobicContact CG-CG2 4.35Å
530H90.7Very high89.4Confident100 Ų10055 Ų5546%0.46330%0.296SS..Hα-helixtrans-66.3-37.8176.3-172.370.6000112.8S526 D527 T528 Y533 T534S526-H530 WeakPolarHBondContact O-CB 3.44Å; S526-H530 PolarHBondContact O-N 3.37Å; D527-H530 PolarHBondContact O-N 3.06Å; T528-H530 PolarHBondContact O-N 2.98Å; H530-Y533 WeakPolarHBondContact O-CB 3.5Å; H530-Y533 PolarHBondContact O-N 2.86Å; H530-T534 PolarHBondContact O-N 3.37Å; H530-T534 PolarHBondContact O-OG1 3.13Å
531R91.5Very high89.4Confident60 Ų6057.1 Ų57.123%0.22630%0.303CS..Hα-helixtrans-65-41.2173-71177.470.1-159.47.2111.4D521 H523 D527 T528 T534 H535 L597 P598D521-R531 IonicContact OD1-NH1 2.84Å; D521-R531 PolarHBondContact OD1-NH1 3.35Å; D521-R531 IonicContact OD2-CZ 3.86Å; D521-R531 IonicContact OD2-NH1 2.84Å; D521-R531 PolarHBondContact OD2-NH1 3.1Å; H523-R531 PolarHBondContact ND1-NH1 3.19Å; D527-R531 WeakPolarHBondContact O-CG 3.46Å; D527-R531 PolarHBondContact O-N 3.48Å; T528-R531 PolarHBondContact O-N 2.95Å; R531-T534 PolarHBondContact O-N 3.25Å; R531-H535 WeakPolarHBondContact O-CB 3.33Å; R531-H535 PolarHBondContact O-N 3.48Å; R531-L597 HydrophobicContact CB-CD1 3.99Å; R531-P598 PolarHBondContact NH2-O 2.83Å
532I91.6Very high89.4Confident0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-59.6-49.5172.2-70.2162.8000110.4T528 L529 T534 H535 L536 V562 L574 L593 L597T528-I532 HydrophobicContact CG2-CD1 4.11Å; T528-I532 VanDerWaalsContact O-CG1 3.32Å; T528-I532 WeakPolarHBondContact O-CG1 3.13Å; T528-I532 PolarHBondContact O-N 3.1Å; L529-I532 WeakPolarHBondContact O-CB 3.38Å; L529-I532 PolarHBondContact O-N 3.02Å; I532-T534 VanDerWaalsContact C-N 3.3Å; I532-T534 PolarHBondContact O-N 2.87Å; I532-H535 PolarHBondContact O-N 3.3Å; I532-L536 HydrophobicContact CG2-CD1 3.63Å; I532-L536 HydrophobicContact CG2-CG 4.11Å; I532-L536 WeakPolarHBondContact O-CB 3.46Å; I532-L536 VanDerWaalsContact O-CG 3.27Å; I532-L536 WeakPolarHBondContact O-CG 3.48Å; I532-L536 PolarHBondContact O-N 3.04Å; I532-V562 HydrophobicContact CD1-CG2 3.76Å; I532-L574 HydrophobicContact CD1-CD1 4.14Å; I532-L574 HydrophobicContact CD1-CD2 3.44Å; I532-L574 VanDerWaalsContact CD1-CD2 3.44Å; I532-L574 HydrophobicContact CD1-CG 4.45Å; I532-L593 HydrophobicContact CG1-CD2 4.38Å; I532-L593 HydrophobicContact CG2-CD2 4.14Å; I532-L597 HydrophobicContact CG1-CD1 3.94Å; I532-L597 HydrophobicContact CG1-CD2 3.82Å; I532-L597 HydrophobicContact CG1-CG 4.4Å
533Y92.9Very high89.6Confident41 Ų4164.7 Ų64.716%0.16133%0.331CS..Hα-helixtrans-53.7-48.3177172.7-100.7000111.8L529 H530 L536 K537 I545 H547 V553L529-Y533 PolarHBondContact O-N 3.48Å; H530-Y533 WeakPolarHBondContact O-CB 3.5Å; H530-Y533 PolarHBondContact O-N 2.86Å; Y533-L536 PolarHBondContact O-N 3.1Å; Y533-K537 HydrophobicContact CE1-CD 4.17Å; Y533-K537 WeakPolarHBondContact O-CB 3.18Å; Y533-K537 PolarHBondContact O-N 3Å; Y533-K537 PolarHBondContact OH-NZ 3.11Å; Y533-K537 VanDerWaalsContact OH-NZ 3.16Å; Y533-I545 HydrophobicContact CD2-CG2 3.68Å; Y533-I545 HydrophobicContact CE2-CB 4.31Å; Y533-I545 HydrophobicContact CE2-CG2 3.72Å; Y533-H547 HydrophobicContact CD2-CB 3.92Å; Y533-H547 HydrophobicContact CE2-CB 4.07Å; Y533-H547 HydrophobicContact CG-CB 4.34Å; Y533-V553 HydrophobicContact CD2-CG1 4.4Å; Y533-V553 HydrophobicContact CD2-CG2 4.42Å
534T91.5Very high89.5Confident74 Ų7464.4 Ų64.445%0.45434%0.335SS..Hα-helixtrans-66.2-42.2-179.4-54.10000111.7H530 R531 I532 K537 S538H530-T534 PolarHBondContact O-N 3.37Å; H530-T534 PolarHBondContact O-OG1 3.13Å; R531-T534 PolarHBondContact O-N 3.25Å; I532-T534 VanDerWaalsContact C-N 3.3Å; I532-T534 PolarHBondContact O-N 2.87Å; T534-K537 PolarHBondContact O-N 2.92Å; T534-S538 PolarHBondContact O-N 2.9Å; T534-S538 VanDerWaalsContact O-N 3.12Å
535H92.5Very high89.7Confident28 Ų2862.7 Ų62.713%0.1332%0.321CS..Hα-helixtrans-63-48.4177.3-178.648.6000111.5R531 I532 K537 S538 V539 L597 P598R531-H535 WeakPolarHBondContact O-CB 3.33Å; R531-H535 PolarHBondContact O-N 3.48Å; I532-H535 PolarHBondContact O-N 3.3Å; H535-K537 VanDerWaalsContact C-N 3.32Å; H535-K537 PolarHBondContact O-N 2.96Å; H535-S538 WeakPolarHBondContact O-CB 3.29Å; H535-S538 PolarHBondContact O-N 2.81Å; H535-S538 PolarHBondContact O-OG 2.64Å; H535-V539 WeakPolarHBondContact O-CG2 3.24Å; H535-V539 PolarHBondContact O-N 3.43Å; H535-V539 VanDerWaalsContact O-N 3.15Å; H535-L597 HydrophobicContact CB-CD2 4.13Å; H535-P598 WeakPolarHBondContact ND1-CD 3.29Å; H535-P598 VanDerWaalsContact ND1-CG 3.28Å; H535-P598 WeakPolarHBondContact ND1-CG 3.46Å
536L91.9Very high89.9Confident0 Ų065 Ų650%033%0.331CS..Hα-helixtrans-62.8-39.8179.3-65.4176.6000111.5I532 Y533 S538 V539 L540 I545 V553 V555 I560 L589 L592 L593I532-L536 HydrophobicContact CG2-CD1 3.63Å; I532-L536 HydrophobicContact CG2-CG 4.11Å; I532-L536 WeakPolarHBondContact O-CB 3.46Å; I532-L536 VanDerWaalsContact O-CG 3.27Å; I532-L536 WeakPolarHBondContact O-CG 3.48Å; I532-L536 PolarHBondContact O-N 3.04Å; Y533-L536 PolarHBondContact O-N 3.1Å; L536-S538 PolarHBondContact O-N 3.12Å; L536-V539 PolarHBondContact O-N 3.3Å; L536-L540 HydrophobicContact CD2-CD1 4.39Å; L536-L540 WeakPolarHBondContact O-CB 3.33Å; L536-L540 PolarHBondContact O-N 3.31Å; L536-I545 VanDerWaalsContact C-CD1 3.43Å; L536-I545 HydrophobicContact CB-CD1 3.74Å; L536-V553 HydrophobicContact CD1-CG1 4.3Å; L536-V555 HydrophobicContact CD1-CG2 3.88Å; L536-I560 HydrophobicContact CD1-CD1 3.52Å; L536-L589 HydrophobicContact CD1-CD2 4.47Å; L536-L589 HydrophobicContact CD2-CD2 3.49Å; L536-L589 VanDerWaalsContact CD2-CD2 3.49Å; L536-L592 HydrophobicContact CD2-CD2 3.8Å; L536-L593 HydrophobicContact CD2-CD2 4.45Å
537K90.8Very high90.1Very high123 Ų12365.1 Ų65.154%0.53532%0.322SS..Hα-helixtrans-63.5-27.3175-164.2173.6-172.1172.10113.5Y533 T534 H535 I545Y533-K537 HydrophobicContact CE1-CD 4.17Å; Y533-K537 WeakPolarHBondContact O-CB 3.18Å; Y533-K537 PolarHBondContact O-N 3Å; Y533-K537 PolarHBondContact OH-NZ 3.11Å; Y533-K537 VanDerWaalsContact OH-NZ 3.16Å; T534-K537 PolarHBondContact O-N 2.92Å; H535-K537 VanDerWaalsContact C-N 3.32Å; H535-K537 PolarHBondContact O-N 2.96Å; K537-I545 HydrophobicContact CB-CD1 4.43Å
538S90.2Very high90.2Very high70 Ų7063.8 Ų63.849%0.4932%0.315SS..Hα-helixtrans-76.8-36.1175.377.80000113.1T534 H535 L536T534-S538 PolarHBondContact O-N 2.9Å; T534-S538 VanDerWaalsContact O-N 3.12Å; H535-S538 WeakPolarHBondContact O-CB 3.29Å; H535-S538 PolarHBondContact O-N 2.81Å; H535-S538 PolarHBondContact O-OG 2.64Å; L536-S538 PolarHBondContact O-N 3.12Å
539V90.5Very high89.9Confident55 Ų5570.6 Ų70.633%0.33336%0.359SS..Hα-helixtrans-88-39.2-174.7177.40000111.8H535 L536 L592H535-V539 WeakPolarHBondContact O-CG2 3.24Å; H535-V539 PolarHBondContact O-N 3.43Å; H535-V539 VanDerWaalsContact O-N 3.15Å; L536-V539 PolarHBondContact O-N 3.3Å; V539-L592 HydrophobicContact CB-CD2 4.42Å; V539-L592 HydrophobicContact CG1-CD2 4.03Å
540L89.6Confident89.6Confident14 Ų1475.2 Ų75.27%0.07338%0.384CS..  trans-108.274-172.6-63.8174.9000110.8L536 D542 Y543 I545 V555 Y588 L589L536-L540 HydrophobicContact CD2-CD1 4.39Å; L536-L540 WeakPolarHBondContact O-CB 3.33Å; L536-L540 PolarHBondContact O-N 3.31Å; L540-D542 VanDerWaalsContact C-N 3.3Å; L540-D542 PolarHBondContact O-N 3.04Å; L540-Y543 HydrophobicContact CB-CD2 3.93Å; L540-Y543 HydrophobicContact CB-CG 4.47Å; L540-Y543 HydrophobicContact CD2-CD2 3.86Å; L540-Y543 HydrophobicContact CD2-CE2 4.05Å; L540-Y543 HydrophobicContact CG-CD2 4.38Å; L540-I545 HydrophobicContact CB-CD1 4.23Å; L540-V555 HydrophobicContact CD1-CG1 4.07Å; L540-Y588 HydrophobicContact CD2-CD1 4.47Å; L540-Y588 HydrophobicContact CD2-CE1 3.93Å; L540-L589 HydrophobicContact CD1-CD2 3.61Å
541K85.6Confident89.2Confident175 Ų17572.1 Ų72.176%0.76138%0.379SS*.THydrogen-bonded Turntrans-69.9-25.7-176.3-66.3-176-179.7178.10114.2
542D86.5Confident89.2Confident156 Ų15669.5 Ų69.583%0.83437%0.369SS*.THydrogen-bonded Turntrans-94.21.8-175.6-57.2-42.4000113.1L540L540-D542 VanDerWaalsContact C-N 3.3Å; L540-D542 PolarHBondContact O-N 3.04Å
543Y87.8Confident89.3Confident104 Ų10469.5 Ų69.541%0.40837%0.369SS..SBendtrans-114.1146-175.9-67.8-86.8000112.4L540 I545 E556 L585L540-Y543 HydrophobicContact CB-CD2 3.93Å; L540-Y543 HydrophobicContact CB-CG 4.47Å; L540-Y543 HydrophobicContact CD2-CD2 3.86Å; L540-Y543 HydrophobicContact CD2-CE2 4.05Å; L540-Y543 HydrophobicContact CG-CD2 4.38Å; Y543-I545 PolarHBondContact O-N 2.71Å; Y543-E556 HydrophobicContact CD1-CG 3.86Å; Y543-L585 HydrophobicContact CD1-CD2 3.95Å; Y543-L585 HydrophobicContact CE1-CD1 4.08Å; Y543-L585 HydrophobicContact CE1-CD2 3.74Å; Y543-L585 HydrophobicContact CE2-CD1 4.33Å
544T87.1Confident89.3Confident79 Ų7969.9 Ų69.949%0.48537%0.373SS..  trans-80.6117176.9-49.20000110Q546 E556T544-Q546 HydrophobicContact CG2-CG 4.4Å; T544-E556 WeakPolarHBondContact CB-OE1 3.43Å; T544-E556 PolarHBondContact N-OE1 3.41Å; T544-E556 PolarHBondContact O-N 3.26Å; T544-E556 PolarHBondContact OG1-OE1 3.02Å
545I92.2Very high89.2Confident21 Ų2166.3 Ų66.311%0.10835%0.352CS..EExtended strand (participates in β ladder)trans-118.2123179.8-50.2179.3000110.4Y533 L536 K537 L540 Y543 V553 M554 V555Y533-I545 HydrophobicContact CD2-CG2 3.68Å; Y533-I545 HydrophobicContact CE2-CB 4.31Å; Y533-I545 HydrophobicContact CE2-CG2 3.72Å; L536-I545 VanDerWaalsContact C-CD1 3.43Å; L536-I545 HydrophobicContact CB-CD1 3.74Å; K537-I545 HydrophobicContact CB-CD1 4.43Å; L540-I545 HydrophobicContact CB-CD1 4.23Å; Y543-I545 PolarHBondContact O-N 2.71Å; I545-V553 HydrophobicContact CG2-CG1 3.99Å; I545-M554 CarbonylContact C-O 3.47Å; I545-M554 VanDerWaalsContact CA-O 3.29Å; I545-M554 WeakPolarHBondContact CA-O 3.38Å; I545-V555 HydrophobicContact CD1-CG2 4.4Å; I545-V555 HydrophobicContact CG1-CG1 4.28Å; I545-V555 HydrophobicContact CG1-CG2 4.17Å; I545-V555 HydrophobicContact CG2-CG2 4.19Å
546Q91.5Very high88.9Confident103 Ų10369 Ų6948%0.48136%0.364SS..EExtended strand (participates in β ladder)trans-117.7141.4-178.2-58.7-177.49.400110.6T544 V553 M554T544-Q546 HydrophobicContact CG2-CG 4.4Å; Q546-V553 WeakPolarHBondContact O-CA 3.48Å; Q546-M554 PolarHBondContact N-O 3Å; Q546-M554 PolarHBondContact O-N 3.22Å
547H90.8Very high88.6Confident80 Ų8071.2 Ų71.237%0.3738%0.379SS..EExtended strand (participates in β ladder)trans-109.8113.9170.2-177-125.3000107.8L529 Y533L529-H547 WeakPolarHBondContact CD2-NE2 3.46Å; Y533-H547 HydrophobicContact CD2-CB 3.92Å; Y533-H547 HydrophobicContact CE2-CB 4.07Å; Y533-H547 HydrophobicContact CG-CB 4.34Å
548L89.1Confident88.6Confident52 Ų5265.3 Ų65.327%0.27235%0.354SS..EExtended strand (participates in β ladder)trans-88.4150-175.6-62.2-179.2000111.1D550 G551 T552 M554L548-D550 VanDerWaalsContact CB-OD1 3.23Å; L548-D550 WeakPolarHBondContact CB-OD1 3.5Å; L548-D550 PolarHBondContact O-N 3.28Å; L548-G551 PolarHBondContact O-N 2.89Å; L548-T552 HydrophobicContact CD1-CG2 4.38Å; L548-T552 PolarHBondContact N-O 3.13Å; L548-M554 HydrophobicContact CD1-CG 4.17Å; L548-M554 HydrophobicContact CD1-SD 3.7Å
549P82.5Confident88.8Confident144 Ų14463.3 Ų63.394%0.93534%0.339SS*.THydrogen-bonded Turntrans-61-16.8179.8-23.934.1000115.1G551P549-G551 VanDerWaalsContact C-N 3.28Å; P549-G551 PolarHBondContact O-N 3.48Å
550D84.4Confident88.9Confident101 Ų10160.7 Ų60.754%0.5432%0.323SS..THydrogen-bonded Turntrans-86.510.1-179.378-32.2000113.8L548 T552 K561L548-D550 VanDerWaalsContact CB-OD1 3.23Å; L548-D550 WeakPolarHBondContact CB-OD1 3.5Å; L548-D550 PolarHBondContact O-N 3.28Å; D550-T552 WeakPolarHBondContact OD1-CB 3.44Å; D550-T552 PolarHBondContact OD1-N 3.32Å; D550-T552 PolarHBondContact OD1-OG1 3.08Å; D550-T552 PolarHBondContact OD2-OG1 3.32Å; D550-K561 IonicContact OD2-NZ 3.61Å
551G83.6Confident89.1Confident35 Ų3564.2 Ų64.236%0.36134%0.337SS..THydrogen-bonded Turntrans77.237.1-178.100000113L529 L548 P549L529-G551 WeakPolarHBondContact CD2-O 3.3Å; L548-G551 PolarHBondContact O-N 2.89Å; P549-G551 VanDerWaalsContact C-N 3.28Å; P549-G551 PolarHBondContact O-N 3.48Å
552T91.3Very high89.3Confident4 Ų456.9 Ų56.93%0.02531%0.307CS..EExtended strand (participates in β ladder)trans-118.6136.4177.1-52.30000110.9L548 D550 M554 V559 K561L548-T552 HydrophobicContact CD1-CG2 4.38Å; L548-T552 PolarHBondContact N-O 3.13Å; D550-T552 WeakPolarHBondContact OD1-CB 3.44Å; D550-T552 PolarHBondContact OD1-N 3.32Å; D550-T552 PolarHBondContact OD1-OG1 3.08Å; D550-T552 PolarHBondContact OD2-OG1 3.32Å; T552-M554 HydrophobicContact CG2-CG 4.21Å; T552-V559 HydrophobicContact CG2-CG1 3.6Å; T552-K561 HydrophobicContact CG2-CG 4.33Å; T552-K561 WeakPolarHBondContact OG1-CE 3.43Å
553V93.3Very high89.4Confident0 Ų052.1 Ų52.10%029%0.286CS..EExtended strand (participates in β ladder)trans-102.2127.6165.1170.90000108.6L529 Y533 L536 I545 Q546 I560L529-V553 HydrophobicContact CD1-CB 4.12Å; L529-V553 HydrophobicContact CD1-CG2 3.63Å; L529-V553 HydrophobicContact CD2-CG2 4.36Å; L529-V553 HydrophobicContact CG-CG2 3.71Å; Y533-V553 HydrophobicContact CD2-CG1 4.4Å; Y533-V553 HydrophobicContact CD2-CG2 4.42Å; L536-V553 HydrophobicContact CD1-CG1 4.3Å; I545-V553 HydrophobicContact CG2-CG1 3.99Å; Q546-V553 WeakPolarHBondContact O-CA 3.48Å; V553-I560 HydrophobicContact CB-CB 4.3Å; V553-I560 HydrophobicContact CG1-CD1 4.4Å; V553-I560 PolarHBondContact N-O 2.82Å; V553-I560 WeakPolarHBondContact O-CB 3.45Å; V553-I560 PolarHBondContact O-N 2.91Å
554M91.9Very high89.3Confident49 Ų4949.5 Ų49.524%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-111.3130.8174.2-75.7-172.353.200110.9I545 Q546 L548 T552 E556 I558 V559I545-M554 CarbonylContact C-O 3.47Å; I545-M554 VanDerWaalsContact CA-O 3.29Å; I545-M554 WeakPolarHBondContact CA-O 3.38Å; Q546-M554 PolarHBondContact N-O 3Å; Q546-M554 PolarHBondContact O-N 3.22Å; L548-M554 HydrophobicContact CD1-CG 4.17Å; L548-M554 HydrophobicContact CD1-SD 3.7Å; T552-M554 HydrophobicContact CG2-CG 4.21Å; M554-E556 VanDerWaalsContact CE-O 3.23Å; M554-E556 WeakPolarHBondContact CE-O 3.35Å; M554-I558 CarbonylContact C-O 3.59Å; M554-I558 VanDerWaalsContact CA-O 3.24Å; M554-I558 WeakPolarHBondContact CA-O 3.35Å; M554-V559 HydrophobicContact CG-CG2 4.27Å
555V90Very high89Confident0 Ų047.1 Ų47.10%027%0.27CS..EExtended strand (participates in β ladder)trans-114.3106.3168.5-177.30000106.6L536 L540 I545 S557 I558 I560 L585 L589L536-V555 HydrophobicContact CD1-CG2 3.88Å; L540-V555 HydrophobicContact CD1-CG1 4.07Å; I545-V555 HydrophobicContact CD1-CG2 4.4Å; I545-V555 HydrophobicContact CG1-CG1 4.28Å; I545-V555 HydrophobicContact CG1-CG2 4.17Å; I545-V555 HydrophobicContact CG2-CG2 4.19Å; V555-S557 PolarHBondContact O-N 3.47Å; V555-S557 VanDerWaalsContact O-N 3.07Å; V555-I558 HydrophobicContact CB-CB 4.49Å; V555-I558 PolarHBondContact N-O 3.1Å; V555-I558 VanDerWaalsContact O-CB 3.3Å; V555-I558 WeakPolarHBondContact O-CB 3.35Å; V555-I558 PolarHBondContact O-N 3.12Å; V555-I560 HydrophobicContact CG2-CD1 4.33Å; V555-L585 HydrophobicContact CG1-CD2 4.33Å; V555-L589 HydrophobicContact CB-CD1 4.09Å; V555-L589 HydrophobicContact CG1-CD1 4.24Å; V555-L589 HydrophobicContact CG2-CD1 4.21Å
556E87.1Confident88.1Confident85 Ų8551.4 Ų51.440%0.39731%0.308SS..THydrogen-bonded Turntrans51.2-112.2-167.3-60.1-61.4153.900111.5Y543 T544 M554Y543-E556 HydrophobicContact CD1-CG 3.86Å; T544-E556 WeakPolarHBondContact CB-OE1 3.43Å; T544-E556 PolarHBondContact N-OE1 3.41Å; T544-E556 PolarHBondContact O-N 3.26Å; T544-E556 PolarHBondContact OG1-OE1 3.02Å; M554-E556 VanDerWaalsContact CE-O 3.23Å; M554-E556 WeakPolarHBondContact CE-O 3.35Å
557S84.3Confident87.5Confident45 Ų4555.5 Ų55.532%0.31533%0.327SS..THydrogen-bonded Turntrans-90.5-8.9176.982.40000114V555 D582V555-S557 PolarHBondContact O-N 3.47Å; V555-S557 VanDerWaalsContact O-N 3.07Å; S557-D582 WeakPolarHBondContact CB-OD2 3.32Å; S557-D582 PolarHBondContact OG-OD2 2.93Å
558I91.8Very high87Confident0 Ų054.5 Ų54.50%033%0.325CS..EExtended strand (participates in β ladder)trans-84.9124.8-169.4-52.9-178.5000109.7M554 V555 W578 D582 L585 L589M554-I558 CarbonylContact C-O 3.59Å; M554-I558 VanDerWaalsContact CA-O 3.24Å; M554-I558 WeakPolarHBondContact CA-O 3.35Å; V555-I558 HydrophobicContact CB-CB 4.49Å; V555-I558 PolarHBondContact N-O 3.1Å; V555-I558 VanDerWaalsContact O-CB 3.3Å; V555-I558 WeakPolarHBondContact O-CB 3.35Å; V555-I558 PolarHBondContact O-N 3.12Å; I558-W578 HydrophobicContact CB-CB 4.24Å; I558-W578 HydrophobicContact CD1-CB 4.22Å; I558-W578 HydrophobicContact CG1-CB 3.7Å; I558-W578 HydrophobicContact CG2-CB 4.05Å; I558-D582 HydrophobicContact CD1-CB 4.2Å; I558-D582 HydrophobicContact CG1-CB 4.17Å; I558-L585 HydrophobicContact CD1-CB 3.92Å; I558-L585 HydrophobicContact CD1-CD2 3.68Å; I558-L585 HydrophobicContact CD1-CG 3.58Å; I558-L589 HydrophobicContact CB-CD1 4.29Å; I558-L589 HydrophobicContact CD1-CD1 3.61Å; I558-L589 HydrophobicContact CG2-CD1 3.98Å
559V93.7Very high86.4Confident28 Ų2855.4 Ų55.417%0.1734%0.34CS..EExtended strand (participates in β ladder)trans-100.8129.1-177176.50000110.1T552 M554 K561 L576 S577T552-V559 HydrophobicContact CG2-CG1 3.6Å; M554-V559 HydrophobicContact CG-CG2 4.27Å; V559-K561 HydrophobicContact CG1-CG 4.38Å; V559-L576 CarbonylContact O-C 3.59Å; V559-L576 WeakPolarHBondContact O-CA 3.2Å; V559-S577 PolarHBondContact N-O 3.11Å; V559-S577 PolarHBondContact O-N 3.4Å
560I93.8Very high86.4Confident0 Ų052.3 Ų52.30%032%0.315CS..EExtended strand (participates in β ladder)trans-121.6122.5176.5-49.2177.7000108.9L536 V553 V555 L575 L576 L593L536-I560 HydrophobicContact CD1-CD1 3.52Å; V553-I560 HydrophobicContact CB-CB 4.3Å; V553-I560 HydrophobicContact CG1-CD1 4.4Å; V553-I560 PolarHBondContact N-O 2.82Å; V553-I560 WeakPolarHBondContact O-CB 3.45Å; V553-I560 PolarHBondContact O-N 2.91Å; V555-I560 HydrophobicContact CG2-CD1 4.33Å; I560-L575 WeakPolarHBondContact CA-O 3.45Å; I560-L576 HydrophobicContact CG1-CD2 4.4Å; I560-L576 HydrophobicContact CG1-CG 4.2Å; I560-L576 HydrophobicContact CG2-CG 4.39Å; I560-L593 HydrophobicContact CD1-CD1 4.35Å
561K92.8Very high86.5Confident88 Ų8848.1 Ų48.138%0.38329%0.294SS..EExtended strand (participates in β ladder)trans-121.6145.2172.2-67.6-166.1172-154.40110.7D550 T552 V559 L574 L575D550-K561 IonicContact OD2-NZ 3.61Å; T552-K561 HydrophobicContact CG2-CG 4.33Å; T552-K561 WeakPolarHBondContact OG1-CE 3.43Å; V559-K561 HydrophobicContact CG1-CG 4.38Å; K561-L574 CarbonylContact O-C 3.52Å; K561-L574 WeakPolarHBondContact O-CA 3.32Å; K561-L575 HydrophobicContact CB-CB 4.43Å; K561-L575 PolarHBondContact N-O 2.93Å; K561-L575 PolarHBondContact O-N 2.86Å
562V90.8Very high86.8Confident21 Ų2146.7 Ų46.713%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-112.4136.3177.2-174.30000109.2D525 T528 L529 I532 K572 L574D525-V562 HydrophobicContact CB-CG1 4.35Å; T528-V562 HydrophobicContact CG2-CG1 3.97Å; T528-V562 HydrophobicContact CG2-CG2 4.5Å; L529-V562 HydrophobicContact CB-CB 4.48Å; L529-V562 HydrophobicContact CB-CG2 3.88Å; L529-V562 HydrophobicContact CD1-CB 4.5Å; L529-V562 HydrophobicContact CD1-CG2 3.59Å; L529-V562 HydrophobicContact CG-CG2 4.35Å; I532-V562 HydrophobicContact CD1-CG2 3.76Å; V562-K572 HydrophobicContact CG1-CB 4.19Å; V562-K572 HydrophobicContact CG1-CD 4.46Å; V562-K572 HydrophobicContact CG1-CG 4.49Å; V562-L574 HydrophobicContact CB-CD2 4.23Å; V562-L574 HydrophobicContact CG1-CD2 4.03Å; V562-L574 HydrophobicContact CG2-CD2 3.54Å
563S88Confident86.8Confident56 Ų5647.7 Ų47.739%0.39228%0.284SS..EExtended strand (participates in β ladder)trans-140.6137.9169.853.90000110D525 V573D525-S563 WeakPolarHBondContact OD2-CA 3.21Å; S563-V573 PolarHBondContact N-O 3.44Å; S563-V573 PolarHBondContact O-N 2.75Å; S563-V573 PolarHBondContact OG-O 2.91Å
564S84.6Confident86.7Confident49 Ų4947.7 Ų47.734%0.34328%0.284SS..EExtended strand (participates in β ladder)trans-60.1143168.4-67.60000111.8D525 K572D525-S564 PolarHBondContact OD1-N 2.79Å; D525-S564 PolarHBondContact OD1-OG 3.38Å; D525-S564 PolarHBondContact OD2-N 2.83Å; D525-S564 PolarHBondContact OD2-OG 2.88Å; S564-K572 PolarHBondContact OG-NZ 3.02Å
565S80.7Confident86.8Confident29 Ų2948.4 Ų48.420%0.20329%0.289CS..  trans-67144.5171.5-176.10000110.4E567 D568 A571S565-E567 PolarHBondContact O-N 3.48Å; S565-E567 PolarHBondContact OG-N 2.87Å; S565-D568 WeakPolarHBondContact CB-O 3.42Å; S565-A571 WeakPolarHBondContact CB-O 3.42Å; S565-A571 PolarHBondContact N-O 3.02Å
566A75.1Confident87Confident110 Ų11048.4 Ų48.491%0.90929%0.289SS*.SBendtrans-69-19.6177.400000113.1
567E77.8Confident87.3Confident190 Ų19044.9 Ų44.989%0.88827%0.274SS*.SBendtrans-101.4-24.8-174-63.9177.9178.700113.4S565S565-E567 PolarHBondContact O-N 3.48Å; S565-E567 PolarHBondContact OG-N 2.87Å
568D81Confident87.7Confident59 Ų5943.4 Ų43.432%0.31626%0.261SS..  trans-148.8116.7-177.5177.28.8000109.9Q520 S565 N570 A571Q520-D568 PolarHBondContact NE2-OD2 2.91Å; S565-D568 WeakPolarHBondContact CB-O 3.42Å; D568-N570 PolarHBondContact O-N 3.1Å; D568-N570 WeakPolarHBondContact OD1-CB 3.45Å; D568-N570 PolarHBondContact OD1-N 3.25Å; D568-A571 HydrophobicContact CB-CB 3.87Å; D568-A571 PolarHBondContact O-N 3.03Å
569A75.7Confident87.5Confident71 Ų7145 Ų4559%0.58727%0.272SS*.THydrogen-bonded Turntrans-65.5-21.9-179.200000113.3K572A569-K572 PolarHBondContact O-NZ 3.22Å
570N82.4Confident86.9Confident78 Ų7850.8 Ų50.842%0.41729%0.292SS..THydrogen-bonded Turntrans-85.8-13.1175.9-62.1-34.2000112.5Q520 D521 D568Q520-N570 CarbonylContact C-O 3.59Å; Q520-N570 WeakPolarHBondContact CA-O 3.46Å; Q520-N570 PolarHBondContact OE1-O 2.86Å; D521-N570 CarbonylContact C-O 3.38Å; D521-N570 PolarHBondContact N-O 3.32Å; D568-N570 PolarHBondContact O-N 3.1Å; D568-N570 WeakPolarHBondContact OD1-CB 3.45Å; D568-N570 PolarHBondContact OD1-N 3.25Å
571A87.4Confident86.2Confident13 Ų1356.5 Ų56.511%0.10732%0.319CS..EExtended strand (participates in β ladder)trans-92.4117.3173.900000110.2S565 D568S565-A571 WeakPolarHBondContact CB-O 3.42Å; S565-A571 PolarHBondContact N-O 3.02Å; D568-A571 HydrophobicContact CB-CB 3.87Å; D568-A571 PolarHBondContact O-N 3.03Å
572K88.8Confident85.9Confident6 Ų654.4 Ų54.43%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-98.5137.8174.7-55-58.3-176.8-179.10110.6Q518 L519 D521 H523 D525 T528 V562 S564 A569Q518-K572 WeakPolarHBondContact CA-O 3.42Å; L519-K572 HydrophobicContact CB-CB 4.44Å; L519-K572 PolarHBondContact N-O 3.06Å; L519-K572 PolarHBondContact O-N 2.89Å; D521-K572 HydrophobicContact CB-CG 4.05Å; D521-K572 WeakPolarHBondContact O-CE 3.41Å; H523-K572 WeakPolarHBondContact O-CE 3.29Å; H523-K572 PolarHBondContact O-NZ 2.62Å; D525-K572 WeakPolarHBondContact OD1-CD 3.28Å; D525-K572 IonicContact OD1-NZ 2.8Å; D525-K572 PolarHBondContact OD1-NZ 3.38Å; T528-K572 HydrophobicContact CG2-CG 4.15Å; V562-K572 HydrophobicContact CG1-CB 4.19Å; V562-K572 HydrophobicContact CG1-CD 4.46Å; V562-K572 HydrophobicContact CG1-CG 4.49Å; S564-K572 PolarHBondContact OG-NZ 3.02Å; A569-K572 PolarHBondContact O-NZ 3.22Å
573V90.9Very high85.7Confident25 Ų2556.6 Ų56.615%0.15232%0.32CS..EExtended strand (participates in β ladder)trans-104.7113.9171.5-176.60000108.1R516 S563R516-V573 HydrophobicContact CB-CG1 4.15Å; R516-V573 HydrophobicContact CG-CG1 4.25Å; S563-V573 PolarHBondContact N-O 3.44Å; S563-V573 PolarHBondContact O-N 2.75Å; S563-V573 PolarHBondContact OG-O 2.91Å
574L92.8Very high85.6Confident0 Ų060.5 Ų60.50%034%0.337CS..EExtended strand (participates in β ladder)trans-90.4117.6173.9-48.4176.6000108.2R516 V517 L519 I532 K561 V562 L576 L593R516-L574 CarbonylContact C-O 3.48Å; R516-L574 WeakPolarHBondContact CA-O 3.25Å; V517-L574 HydrophobicContact CB-CB 4.17Å; V517-L574 HydrophobicContact CB-CD1 4.35Å; V517-L574 HydrophobicContact CG1-CD1 4.25Å; V517-L574 PolarHBondContact N-O 2.8Å; V517-L574 WeakPolarHBondContact O-CB 3.44Å; V517-L574 PolarHBondContact O-N 3.23Å; L519-L574 HydrophobicContact CB-CD1 4.21Å; L519-L574 HydrophobicContact CB-CG 4.45Å; L519-L574 HydrophobicContact CD2-CD1 4.44Å; I532-L574 HydrophobicContact CD1-CD1 4.14Å; I532-L574 HydrophobicContact CD1-CD2 3.44Å; I532-L574 VanDerWaalsContact CD1-CD2 3.44Å; I532-L574 HydrophobicContact CD1-CG 4.45Å; K561-L574 CarbonylContact O-C 3.52Å; K561-L574 WeakPolarHBondContact O-CA 3.32Å; V562-L574 HydrophobicContact CB-CD2 4.23Å; V562-L574 HydrophobicContact CG1-CD2 4.03Å; V562-L574 HydrophobicContact CG2-CD2 3.54Å; L574-L576 HydrophobicContact CB-CD1 3.84Å; L574-L593 HydrophobicContact CD1-CB 4.08Å; L574-L593 HydrophobicContact CD1-CD1 4.19Å
575L93.5Very high85.9Confident64 Ų6459 Ų5934%0.33533%0.325SS..EExtended strand (participates in β ladder)trans-93108.4170.8-168.575.5000108.3T514 R516 I560 K561T514-L575 HydrophobicContact CG2-CD1 3.46Å; T514-L575 VanDerWaalsContact CG2-CD1 3.46Å; T514-L575 HydrophobicContact CG2-CD2 4.48Å; T514-L575 HydrophobicContact CG2-CG 3.93Å; R516-L575 HydrophobicContact CG-CD1 3.94Å; I560-L575 WeakPolarHBondContact CA-O 3.45Å; K561-L575 HydrophobicContact CB-CB 4.43Å; K561-L575 PolarHBondContact N-O 2.93Å; K561-L575 PolarHBondContact O-N 2.86Å
576L93.9Very high86.3Confident0 Ų057.6 Ų57.60%032%0.315CS..EExtended strand (participates in β ladder)trans-101.8132.7172.6-72.587.8000109.2T514 C515 V517 V559 I560 L574 W578 L589 L593T514-L576 CarbonylContact C-O 3.57Å; T514-L576 VanDerWaalsContact CA-O 3.3Å; T514-L576 WeakPolarHBondContact CA-O 3.42Å; C515-L576 PolarHBondContact N-O 3.49Å; C515-L576 PolarHBondContact O-N 3.16Å; V517-L576 HydrophobicContact CB-CD1 4.26Å; V517-L576 HydrophobicContact CG2-CD1 3.94Å; V559-L576 CarbonylContact O-C 3.59Å; V559-L576 WeakPolarHBondContact O-CA 3.2Å; I560-L576 HydrophobicContact CG1-CD2 4.4Å; I560-L576 HydrophobicContact CG1-CG 4.2Å; I560-L576 HydrophobicContact CG2-CG 4.39Å; L574-L576 HydrophobicContact CB-CD1 3.84Å; L576-W578 HydrophobicContact CB-CE3 4.09Å; L576-W578 HydrophobicContact CB-CZ3 3.67Å; L576-L589 HydrophobicContact CD2-CB 4.04Å; L576-L593 HydrophobicContact CD1-CD1 3.97Å; L576-L593 HydrophobicContact CD2-CD1 3.76Å; L576-L593 HydrophobicContact CG-CD1 4.25Å
577S93.5Very high87Confident11 Ų1154.4 Ų54.48%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-141123.9-179.4-165.30000111.6R512 F513 T514 V559R512-S577 PolarHBondContact NE-OG 2.88Å; F513-S577 CarbonylContact O-C 3.24Å; F513-S577 VanDerWaalsContact O-CA 3.25Å; F513-S577 WeakPolarHBondContact O-CA 3.34Å; F513-S577 PolarHBondContact O-OG 3.33Å; T514-S577 PolarHBondContact OG1-OG 3.16Å; V559-S577 PolarHBondContact N-O 3.11Å; V559-S577 PolarHBondContact O-N 3.4Å
578W92.8Very high87.7Confident13 Ų1350.6 Ų50.65%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-139.1157.3-176.360.699.5000111.4R512 F513 C515 I558 L576R512-W578 CarbonylContact C-O 3.55Å; R512-W578 WeakPolarHBondContact CA-O 3.43Å; R512-W578 WeakPolarHBondContact CG-O 3.48Å; F513-W578 HydrophobicContact CB-CD2 4.11Å; F513-W578 HydrophobicContact CB-CG 4.45Å; F513-W578 HydrophobicContact CB-CZ2 3.95Å; F513-W578 AromaticContact CD2-NE1 3.65Å; F513-W578 PolarHBondContact N-O 3.18Å; F513-W578 PolarHBondContact O-N 3.29Å; C515-W578 HydrophobicContact CB-CH2 4.06Å; C515-W578 HydrophobicContact CB-CZ3 4.31Å; C515-W578 VanDerWaalsContact SG-CZ3 3.55Å; I558-W578 HydrophobicContact CB-CB 4.24Å; I558-W578 HydrophobicContact CD1-CB 4.22Å; I558-W578 HydrophobicContact CG1-CB 3.7Å; I558-W578 HydrophobicContact CG2-CB 4.05Å; L576-W578 HydrophobicContact CB-CE3 4.09Å; L576-W578 HydrophobicContact CB-CZ3 3.67Å
579S87.3Confident88.2Confident34 Ų3447.8 Ų47.824%0.23825%0.25CC..EExtended strand (participates in β ladder)trans-82.2161.5172.163.60000111.2L511 Q581 D582L511-S579 WeakPolarHBondContact O-CA 3.49Å; S579-Q581 PolarHBondContact O-N 3.42Å; S579-Q581 PolarHBondContact OG-OE1 2.82Å; S579-D582 PolarHBondContact O-N 3.45Å
580Y81Confident88.9Confident150 Ų15044.9 Ų44.959%0.58823%0.225SC*.G310 helixtrans-57.1-30.2179.1177.7-92.1000113.9L511 F513 D582 E583L511-Y580 HydrophobicContact CD2-CD2 4.18Å; L511-Y580 PolarHBondContact O-N 3.14Å; F513-Y580 AromaticContact CE2-CD2 3.71Å; F513-Y580 HydrophobicContact CE2-CD2 3.71Å; F513-Y580 HydrophobicContact CE2-CG 4.41Å; F513-Y580 HydrophobicContact CZ-CD2 4.04Å; Y580-D582 PolarHBondContact O-N 3.46Å; Y580-E583 WeakPolarHBondContact O-CB 3.36Å; Y580-E583 PolarHBondContact O-N 3.12Å
581Q80.2Confident89.3Confident120 Ų12044.2 Ų44.256%0.56123%0.227SC*.G310 helixtrans-61.3-24.4177.4-61.584.4-0.700113E508 S579E508-Q581 PolarHBondContact OE1-NE2 3.26Å; S579-Q581 PolarHBondContact O-N 3.42Å; S579-Q581 PolarHBondContact OG-OE1 2.82Å
582D86.2Confident89.5Confident44 Ų4444.6 Ų44.624%0.23523%0.227CC..G310 helixtrans-111.726.9-179.2-64.4-64000111.9S557 I558 S579 Y580 D584 L585 G586S557-D582 WeakPolarHBondContact CB-OD2 3.32Å; S557-D582 PolarHBondContact OG-OD2 2.93Å; I558-D582 HydrophobicContact CD1-CB 4.2Å; I558-D582 HydrophobicContact CG1-CB 4.17Å; S579-D582 PolarHBondContact O-N 3.45Å; Y580-D582 PolarHBondContact O-N 3.46Å; D582-D584 PolarHBondContact O-N 3.13Å; D582-L585 PolarHBondContact O-N 3.18Å; D582-G586 PolarHBondContact O-N 3.42Å
583E86.5Confident89.5Confident66 Ų6644.4 Ų44.431%0.30823%0.226SC..Hα-helixtrans-60.3-47.2-176.2-169.6-77.615200112.7F513 Y580 L585 G586 S587F513-E583 HydrophobicContact CD2-CG 4.38Å; F513-E583 HydrophobicContact CE2-CB 4.37Å; F513-E583 HydrophobicContact CE2-CG 3.94Å; Y580-E583 WeakPolarHBondContact O-CB 3.36Å; Y580-E583 PolarHBondContact O-N 3.12Å; E583-L585 VanDerWaalsContact C-N 3.31Å; E583-L585 PolarHBondContact O-N 3.43Å; E583-G586 PolarHBondContact O-N 2.87Å; E583-S587 VanDerWaalsContact O-CB 3.26Å; E583-S587 WeakPolarHBondContact O-CB 3.34Å; E583-S587 PolarHBondContact O-N 3.02Å; E583-S587 PolarHBondContact O-OG 2.71Å; E583-S587 PolarHBondContact OE1-OG 3.14Å
584D86.5Confident89.4Confident139 Ų13949.8 Ų49.874%0.74325%0.247SC*.Hα-helixtrans-57.9-45.4178.6-73-46.3000111.4D582 Y588D582-D584 PolarHBondContact O-N 3.13Å; D584-Y588 WeakPolarHBondContact O-CB 3.47Å; D584-Y588 PolarHBondContact O-N 2.84Å
585L89.5Confident89.1Confident17 Ų1758.2 Ų58.29%0.08928%0.284CS..Hα-helixtrans-69.6-41.8179.7-17763.6000111.4Y543 V555 I558 D582 E583 Y588 L589Y543-L585 HydrophobicContact CD1-CD2 3.95Å; Y543-L585 HydrophobicContact CE1-CD1 4.08Å; Y543-L585 HydrophobicContact CE1-CD2 3.74Å; Y543-L585 HydrophobicContact CE2-CD1 4.33Å; V555-L585 HydrophobicContact CG1-CD2 4.33Å; I558-L585 HydrophobicContact CD1-CB 3.92Å; I558-L585 HydrophobicContact CD1-CD2 3.68Å; I558-L585 HydrophobicContact CD1-CG 3.58Å; D582-L585 PolarHBondContact O-N 3.18Å; E583-L585 VanDerWaalsContact C-N 3.31Å; E583-L585 PolarHBondContact O-N 3.43Å; L585-Y588 PolarHBondContact O-N 2.97Å; L585-L589 HydrophobicContact CG-CD1 4.33Å; L585-L589 WeakPolarHBondContact O-CB 3.06Å; L585-L589 VanDerWaalsContact O-CG 3.3Å; L585-L589 WeakPolarHBondContact O-CG 2.93Å; L585-L589 PolarHBondContact O-N 3.05Å
586G89.6Confident88.6Confident0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-63.1-42.8176.300000112.8D582 E583 L589 S590D582-G586 PolarHBondContact O-N 3.42Å; E583-G586 PolarHBondContact O-N 2.87Å; G586-L589 PolarHBondContact O-N 3.42Å; G586-S590 WeakPolarHBondContact O-CB 3.4Å; G586-S590 PolarHBondContact O-N 3.4Å
587S89.6Confident88.2Confident43 Ų4357.8 Ų57.830%0.30129%0.288SS..Hα-helixtrans-65.9-40175.2-77.50000111.9E583 S591E583-S587 VanDerWaalsContact O-CB 3.26Å; E583-S587 WeakPolarHBondContact O-CB 3.34Å; E583-S587 PolarHBondContact O-N 3.02Å; E583-S587 PolarHBondContact O-OG 2.71Å; E583-S587 PolarHBondContact OE1-OG 3.14Å; S587-S591 WeakPolarHBondContact O-CB 3.43Å; S587-S591 PolarHBondContact O-N 2.91Å; S587-S591 PolarHBondContact O-OG 2.92Å
588Y92Very high87.5Confident109 Ų10960.8 Ų60.843%0.42731%0.307SS..Hα-helixtrans-61.7-49.6171.3176.8-99.2000112L540 D584 L585 S590 S591 L592L540-Y588 HydrophobicContact CD2-CD1 4.47Å; L540-Y588 HydrophobicContact CD2-CE1 3.93Å; D584-Y588 WeakPolarHBondContact O-CB 3.47Å; D584-Y588 PolarHBondContact O-N 2.84Å; L585-Y588 PolarHBondContact O-N 2.97Å; Y588-S590 PolarHBondContact O-N 2.81Å; Y588-S591 CarbonylContact O-C 3.6Å; Y588-S591 PolarHBondContact O-N 3.31Å; Y588-S591 VanDerWaalsContact O-N 3.16Å; Y588-L592 HydrophobicContact CE1-CD2 4.14Å; Y588-L592 WeakPolarHBondContact O-CB 3.43Å; Y588-L592 PolarHBondContact O-N 3.16Å
589L91.4Very high86.4Confident0 Ų069.7 Ų69.70%036%0.364CS..Hα-helixtrans-61.1-43.1178.7-77.4176.4000112.3L536 L540 V555 I558 L576 L585 G586 S591 L592 L593L536-L589 HydrophobicContact CD1-CD2 4.47Å; L536-L589 HydrophobicContact CD2-CD2 3.49Å; L536-L589 VanDerWaalsContact CD2-CD2 3.49Å; L540-L589 HydrophobicContact CD1-CD2 3.61Å; V555-L589 HydrophobicContact CB-CD1 4.09Å; V555-L589 HydrophobicContact CG1-CD1 4.24Å; V555-L589 HydrophobicContact CG2-CD1 4.21Å; I558-L589 HydrophobicContact CB-CD1 4.29Å; I558-L589 HydrophobicContact CD1-CD1 3.61Å; I558-L589 HydrophobicContact CG2-CD1 3.98Å; L576-L589 HydrophobicContact CD2-CB 4.04Å; L585-L589 HydrophobicContact CG-CD1 4.33Å; L585-L589 WeakPolarHBondContact O-CB 3.06Å; L585-L589 VanDerWaalsContact O-CG 3.3Å; L585-L589 WeakPolarHBondContact O-CG 2.93Å; L585-L589 PolarHBondContact O-N 3.05Å; G586-L589 PolarHBondContact O-N 3.42Å; L589-S591 VanDerWaalsContact C-N 3.29Å; L589-S591 PolarHBondContact O-N 3.34Å; L589-L592 PolarHBondContact O-N 3.48Å; L589-L593 WeakPolarHBondContact O-CG 3.48Å; L589-L593 PolarHBondContact O-N 3.07Å
590S91.1Very high86.3Confident10 Ų1071.5 Ų71.57%0.0737%0.37CS..Hα-helixtrans-58.2-44.1174.5-173.60000111.1C515 G586 Y588 K594C515-S590 PolarHBondContact SG-OG 2.89Å; C515-S590 VanDerWaalsContact SG-OG 3.37Å; G586-S590 WeakPolarHBondContact O-CB 3.4Å; G586-S590 PolarHBondContact O-N 3.4Å; Y588-S590 PolarHBondContact O-N 2.81Å; S590-K594 WeakPolarHBondContact O-CB 3.11Å; S590-K594 VanDerWaalsContact O-CG 3.22Å; S590-K594 WeakPolarHBondContact O-CG 3.27Å; S590-K594 PolarHBondContact O-N 2.98Å; S590-K594 VanDerWaalsContact O-N 3.15Å
591S91Very high86.6Confident65 Ų6567.4 Ų67.446%0.45536%0.358SS..Hα-helixtrans-69.8-36.3178.3-59.30000112.9S587 Y588 L589S587-S591 WeakPolarHBondContact O-CB 3.43Å; S587-S591 PolarHBondContact O-N 2.91Å; S587-S591 PolarHBondContact O-OG 2.92Å; Y588-S591 CarbonylContact O-C 3.6Å; Y588-S591 PolarHBondContact O-N 3.31Å; Y588-S591 VanDerWaalsContact O-N 3.16Å; L589-S591 VanDerWaalsContact C-N 3.29Å; L589-S591 PolarHBondContact O-N 3.34Å
592L91.3Very high87Confident20 Ų2064.4 Ų64.411%0.10535%0.347CS..Hα-helixtrans-64.9-50.1177-179.565.3000110.7L536 V539 Y588 L589 K594 K595L536-L592 HydrophobicContact CD2-CD2 3.8Å; V539-L592 HydrophobicContact CB-CD2 4.42Å; V539-L592 HydrophobicContact CG1-CD2 4.03Å; Y588-L592 HydrophobicContact CE1-CD2 4.14Å; Y588-L592 WeakPolarHBondContact O-CB 3.43Å; Y588-L592 PolarHBondContact O-N 3.16Å; L589-L592 PolarHBondContact O-N 3.48Å; L592-K594 VanDerWaalsContact C-N 3.3Å; L592-K594 PolarHBondContact O-N 2.67Å; L592-K595 WeakPolarHBondContact O-CB 3.33Å; L592-K595 PolarHBondContact O-N 3.38Å
593L90.1Very high87Confident2 Ų265.6 Ų65.61%0.0135%0.354CS..Hα-helixtrans-70.1-26.5-177.9-65.3173.8000112.9V517 I532 L536 I560 L574 L576 L589 K595 G596V517-L593 HydrophobicContact CG1-CB 4.42Å; I532-L593 HydrophobicContact CG1-CD2 4.38Å; I532-L593 HydrophobicContact CG2-CD2 4.14Å; L536-L593 HydrophobicContact CD2-CD2 4.45Å; I560-L593 HydrophobicContact CD1-CD1 4.35Å; L574-L593 HydrophobicContact CD1-CB 4.08Å; L574-L593 HydrophobicContact CD1-CD1 4.19Å; L576-L593 HydrophobicContact CD1-CD1 3.97Å; L576-L593 HydrophobicContact CD2-CD1 3.76Å; L576-L593 HydrophobicContact CG-CD1 4.25Å; L589-L593 WeakPolarHBondContact O-CG 3.48Å; L589-L593 PolarHBondContact O-N 3.07Å; L593-K595 PolarHBondContact O-N 2.61Å; L593-G596 PolarHBondContact O-N 3.2Å
594K87.8Confident87Confident138 Ų13865.6 Ų65.660%0.636%0.357SS*.THydrogen-bonded Turntrans-63-22.7170.2-80.1172.9-175.4176.50113.5V517 S590 L592 G596V517-K594 HydrophobicContact CG1-CB 4.47Å; V517-K594 HydrophobicContact CG1-CG 3.68Å; V517-K594 HydrophobicContact CG2-CG 4.18Å; S590-K594 WeakPolarHBondContact O-CB 3.11Å; S590-K594 VanDerWaalsContact O-CG 3.22Å; S590-K594 WeakPolarHBondContact O-CG 3.27Å; S590-K594 PolarHBondContact O-N 2.98Å; S590-K594 VanDerWaalsContact O-N 3.15Å; L592-K594 VanDerWaalsContact C-N 3.3Å; L592-K594 PolarHBondContact O-N 2.67Å; K594-G596 PolarHBondContact O-N 3.28Å
595K86.9Confident87.1Confident178 Ų17860.7 Ų60.777%0.77433%0.331SS*.THydrogen-bonded Turntrans-76.6-6.1177.4-65.4175.7-1791790113.1L592 L593L592-K595 WeakPolarHBondContact O-CB 3.33Å; L592-K595 PolarHBondContact O-N 3.38Å; L593-K595 PolarHBondContact O-N 2.61Å
596G82.5Confident86.9Confident27 Ų2763.9 Ų63.928%0.27835%0.348SS..  trans90.1167.8-175.500000113L593 K594L593-G596 PolarHBondContact O-N 3.2Å; K594-G596 PolarHBondContact O-N 3.28Å
597L85.1Confident86.7Confident28 Ų2868.8 Ų68.815%0.14738%0.375CS..  trans-88.1146173.7-68.2174.7000110.3L519 T528 R531 I532 H535L519-L597 HydrophobicContact CD1-CG 4.43Å; L519-L597 HydrophobicContact CD2-CD1 3.63Å; L519-L597 HydrophobicContact CD2-CG 3.9Å; T528-L597 HydrophobicContact CG2-CD1 4.45Å; R531-L597 HydrophobicContact CB-CD1 3.99Å; I532-L597 HydrophobicContact CG1-CD1 3.94Å; I532-L597 HydrophobicContact CG1-CD2 3.82Å; I532-L597 HydrophobicContact CG1-CG 4.4Å; H535-L597 HydrophobicContact CB-CD2 4.13Å
598P80.3Confident86.5Confident73 Ų7370.9 Ų70.947%0.47438%0.381SS..  trans-54.9144.5169.1-20.230.8000111R531 H535R531-P598 PolarHBondContact NH2-O 2.83Å; H535-P598 WeakPolarHBondContact ND1-CD 3.29Å; H535-P598 VanDerWaalsContact ND1-CG 3.28Å; H535-P598 WeakPolarHBondContact ND1-CG 3.46Å
599T68.1Low86Confident201 Ų20167.5 Ų67.5100%1.23338%0.377SS*.  trans-64.40179.117.50000112

Retrieved 599 of 599 residues in 539 ms (Link to these results)

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