A0A096N337_PAPAN Loading...

Roundabout homolog 4

Receptor for Slit proteins, at least for SLIT2, and seems to be involved in angiogenesis and vascular patterning. May mediate the inhibition of primary endothelial cell migration by Slit proteins. Involved in the maintenance of endothelial barrier organization and function.

AlphaFold DB , UniProt , Accession A0A096N337, Species PAPAN (Papio anubis, Olive baboon), Gene ROBO4, Length 1,007 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
1M33.3Very low36Very low255 Ų255132.6 Ų132.6100%1.25687%0.867SS**  0133.10-67.1165162.600107.7
2G33.2Very low36.5Very low85 Ų85142.8 Ų142.888%0.87688%0.875SS**  cis-123-170.5-46.900000106.5
3S31.7Very low36.5Very low123 Ų123139 Ų13986%0.8687%0.866SS**  cis-149149.9-7.5-171.30000104.2
4G36.4Very low36.2Very low74 Ų74138.1 Ų138.176%0.76387%0.868SS**  cis102.5100.329.600000108.9
5G33.2Very low36.9Very low85 Ų85144.1 Ų144.188%0.87687%0.867SS**  trans142.8134.1178.700000114.4
6E44.1Very low37.6Very low194 Ų194142.6 Ų142.691%0.90786%0.862SS**  trans-106157.1176.9-63.5174.682.500112.3
7S36.7Very low37.8Very low100 Ų100143.9 Ų143.970%0.69986%0.862SS**  144138.2109-155.40000117.4
8L39Very low38.1Very low142 Ų142143.6 Ų143.674%0.74385%0.854SS**  trans47.1126.9150.4-72.8166.1000124.6
9R39.9Very low38.2Very low242 Ų242144.3 Ų144.391%0.91385%0.852SS**  trans48.7136.5144.6-66.8-179.7173.1-166.7-1.1120.5
10G35.1Very low38.6Very low84 Ų84144.4 Ų144.487%0.86685%0.848SS**  cis137142.8-9.500000115.1
11G33.4Very low38.9Very low75 Ų75144.6 Ų144.677%0.77385%0.845SS**  trans124.4118153.700000119.9
12R42.4Very low39.9Very low255 Ų255139.9 Ų139.996%0.96282%0.823SS**  trans59164.4154.5-72.6-178.2172.9174.9-2.3119.8
13A36.8Very low40.4Very low93 Ų93144 Ų14477%0.76982%0.822SS**  cis178140.8-41.800000109.6
14S32.2Very low41.4Very low126 Ų126141.2 Ų141.288%0.88181%0.813SS**  trans-164.3166.1151.8-160.10000112.6
15R46Very low41.9Very low228 Ų228141 Ų14186%0.8681%0.81SS**  trans-106.6177.6174.9-65.7170.9164.8158.7-8.6110.1
16P49.1Very low42.8Very low120 Ų120145.5 Ų145.578%0.77981%0.81SS**  -145.2166.696.239.2-25000116.8
17L39.8Very low43.6Very low165 Ų165139.3 Ų139.386%0.86479%0.792SS**  trans54.3123.4159-96.866.7000122.2
18L42.9Very low45.6Very low139 Ų139142.7 Ų142.773%0.72880%0.797SS**  trans-91.6135.6162.5176.275.7000108.7L20L18-L20 HydrophobicContact CD2-CD1 4.25Å; L18-L20 HydrophobicContact CD2-CG 4.09Å
19L41.5Very low47.9Very low156 Ų156139.1 Ų139.182%0.81778%0.778SS**  trans-106.3120.1161.3-145.685.5000108.9L21L19-L21 PolarHBondContact O-N 3.05Å
20L46Very low50.3Low146 Ų146129.7 Ų129.776%0.76475%0.749SS**  trans-8399.1179-99.6157.9000110.2L18L18-L20 HydrophobicContact CD2-CD1 4.25Å; L18-L20 HydrophobicContact CD2-CG 4.09Å
21L44.8Very low53.1Low149 Ų149128.9 Ų128.978%0.7873%0.729SS**  trans-87.5123.3160.2-87.1169000109.4L19 M23L19-L21 PolarHBondContact O-N 3.05Å; L21-M23 PolarHBondContact O-N 3.02Å; L21-M23 VanDerWaalsContact O-N 3.08Å
22I53.6Low56.1Low156 Ų156125.8 Ų125.880%0.870%0.695SS**  trans-75.896.6174.9-58.6171.2000108.2
23M44.7Very low58.5Low172 Ų172119.4 Ų119.485%0.84768%0.677SS**  trans-106.277159.1-69.8-59.4-68.600108.7L21 G25L21-M23 PolarHBondContact O-N 3.02Å; L21-M23 VanDerWaalsContact O-N 3.08Å; M23-G25 PolarHBondContact O-N 3.19Å
24G52.5Low61.3Low65 Ų65116.2 Ų116.267%0.6765%0.646SS**  trans-66.485.5164.300000108.7M26G24-M26 PolarHBondContact O-N 2.68Å
25G46Very low64.3Low68 Ų68115.3 Ų115.370%0.70163%0.631SS**  trans-61.5104.5-179.700000110.2M23 A27M23-G25 PolarHBondContact O-N 3.19Å; G25-A27 PolarHBondContact O-N 3.42Å
26M52.4Low66.6Low181 Ų181107.5 Ų107.589%0.89261%0.608SS**  trans-56106.9167.5-67.8-71-115.600107.3G24 Q28G24-M26 PolarHBondContact O-N 2.68Å; M26-Q28 PolarHBondContact O-N 3.12Å
27A60.2Low68.7Low63 Ų63104.3 Ų104.352%0.52158%0.583SS.*  trans-62.8103.5-179.600000108.1G25 D29 Q58G25-A27 PolarHBondContact O-N 3.42Å; A27-D29 PolarHBondContact O-N 2.95Å; A27-D29 VanDerWaalsContact O-N 3.09Å; A27-Q58 HydrophobicContact CB-CG 4.12Å
28Q79.3Confident71.2Confident171 Ų17196.9 Ų96.980%0.79954%0.544SS*.  trans-66.8114.5-164.1-169.6168.7200110.4M26 S30M26-Q28 PolarHBondContact O-N 3.12Å; Q28-S30 PolarHBondContact O-N 3.22Å; Q28-S30 PolarHBondContact O-OG 3.25Å
29D88.1Confident73.6Confident67 Ų6797.8 Ų97.836%0.35855%0.545SS..  trans-54.1123.9-179.9-110.547.2000109.6A27 Q58 R119 L120A27-D29 PolarHBondContact O-N 2.95Å; A27-D29 VanDerWaalsContact O-N 3.09Å; D29-Q58 CarbonylContact C-O 3.56Å; D29-Q58 WeakPolarHBondContact CA-O 3.32Å; D29-R119 IonicContact OD1-CZ 2.94Å; D29-R119 IonicContact OD1-NE 3.85Å; D29-R119 IonicContact OD1-NH2 3.28Å; D29-R119 PolarHBondContact OD1-NH2 3.5Å; D29-R119 IonicContact OD2-CZ 3.85Å; D29-R119 IonicContact OD2-NE 3.04Å; D29-R119 PolarHBondContact OD2-NE 3.04Å; D29-R119 IonicContact OD2-NH2 2.76Å; D29-R119 PolarHBondContact OD2-NH2 3.14Å; D29-L120 HydrophobicContact CB-CD1 3.73Å
30S90.6Very high75.9Confident44 Ų4495.8 Ų95.831%0.30854%0.535SS..EExtended strand (participates in β ladder)trans-141.1134.2-169.940.70000111.3Q28 Q58 N118Q28-S30 PolarHBondContact O-N 3.22Å; Q28-S30 PolarHBondContact O-OG 3.25Å; S30-Q58 PolarHBondContact N-O 3.47Å; S30-Q58 PolarHBondContact O-N 3.42Å; S30-Q58 WeakPolarHBondContact OG-CB 3.42Å; S30-Q58 PolarHBondContact OG-N 2.91Å; S30-Q58 VanDerWaalsContact OG-N 3.16Å; S30-N118 PolarHBondContact O-ND2 2.93Å
31P93.6Very high77.8Confident67 Ų6791.5 Ų91.544%0.43551%0.511SS..EExtended strand (participates in β ladder)trans-65.6160.918029.7-36.1000111.3L120P31-L120 HydrophobicContact CB-CB 4.34Å
32P95Very high79.6Confident10 Ų1086.9 Ų86.97%0.06549%0.487CS..EExtended strand (participates in β ladder)trans-61141.3178.525.7-34.7000111.9S56 P61 A116 N118 G121 A123P32-S56 CarbonylContact C-O 3.46Å; P32-S56 WeakPolarHBondContact CA-O 3.44Å; P32-P61 HydrophobicContact CB-CB 3.92Å; P32-P61 HydrophobicContact CB-CG 4.27Å; P32-A116 HydrophobicContact CB-CB 4.09Å; P32-A116 WeakPolarHBondContact CG-O 3.35Å; P32-N118 WeakPolarHBondContact CD-OD1 3.16Å; P32-G121 WeakPolarHBondContact CD-O 3.42Å; P32-G121 WeakPolarHBondContact CG-O 3.3Å; P32-A123 HydrophobicContact CB-CB 3.99Å; P32-A123 HydrophobicContact CG-CB 3.97Å; P32-A123 VanDerWaalsContact O-CB 3.32Å; P32-A123 WeakPolarHBondContact O-CB 3.41Å
33Q94.4Very high80.7Confident122 Ų12280.3 Ų80.357%0.5745%0.453SS*.EExtended strand (participates in β ladder)trans-133132.8170.5-63.9-176.1-3.800108.6L35 A55 S56Q33-L35 PolarHBondContact O-N 3.02Å; Q33-A55 CarbonylContact O-C 3.51Å; Q33-A55 WeakPolarHBondContact O-CA 3.34Å; Q33-A55 WeakPolarHBondContact O-CB 3.4Å; Q33-S56 PolarHBondContact N-O 2.98Å; Q33-S56 PolarHBondContact O-N 3.44Å
34I95.3Very high81.8Confident26 Ų2676.5 Ų76.513%0.13343%0.433CS..EExtended strand (participates in β ladder)trans-81.2117.9177.4-51.6-57.9000109V36 H37 A55 A116 A123I34-V36 VanDerWaalsContact CG2-O 3.26Å; I34-V36 WeakPolarHBondContact CG2-O 3.43Å; I34-H37 VanDerWaalsContact CG2-ND1 3.29Å; I34-H37 WeakPolarHBondContact CG2-ND1 3.15Å; I34-A55 HydrophobicContact CD1-CB 3.94Å; I34-A116 HydrophobicContact CD1-CB 3.6Å; I34-A123 HydrophobicContact CD1-CB 4.35Å; I34-A123 HydrophobicContact CG1-CB 4.27Å
35L93.8Very high82.4Confident106 Ų10674.8 Ų74.856%0.55542%0.415SS*.EExtended strand (participates in β ladder)trans-89.9-35.5177.4-63.3-178.6000112.3Q33 R54 S56Q33-L35 PolarHBondContact O-N 3.02Å; L35-R54 PolarHBondContact N-O 3.31Å; L35-S56 WeakPolarHBondContact CG-OG 3.45Å
36V94.3Very high83.2Confident64 Ų6478.1 Ų78.139%0.38843%0.425SS..EExtended strand (participates in β ladder)trans-126.3114.3175.8179.70000107.5I34 C53 R54I34-V36 VanDerWaalsContact CG2-O 3.26Å; I34-V36 WeakPolarHBondContact CG2-O 3.43Å; V36-C53 WeakPolarHBondContact O-CA 3.48Å; V36-R54 HydrophobicContact CB-CB 3.88Å; V36-R54 HydrophobicContact CG2-CB 3.94Å; V36-R54 PolarHBondContact N-O 3.38Å; V36-R54 PolarHBondContact O-N 3.17Å; V36-R54 VanDerWaalsContact O-N 3.1Å
37H93.8Very high84Confident54 Ų5471 Ų7125%0.2540%0.398CS..  trans-83.5150.2166.4-56.8-63.9000109.8I34 R126I34-H37 VanDerWaalsContact CG2-ND1 3.29Å; I34-H37 WeakPolarHBondContact CG2-ND1 3.15Å; H37-R126 HydrophobicContact CB-CB 4.42Å; H37-R126 PolarHBondContact ND1-N 3.36Å
38P93.6Very high85Confident8 Ų871.6 Ų71.65%0.05240%0.396CS..  trans-63.2166.7166.930.1-35.5000111.5M51 S52 W65 S125 A128P38-M51 HydrophobicContact CB-CB 4.43Å; P38-S52 WeakPolarHBondContact CA-O 3.47Å; P38-W65 HydrophobicContact CB-CH2 3.93Å; P38-W65 HydrophobicContact CB-CZ3 4.15Å; P38-W65 HydrophobicContact CG-CH2 4.03Å; P38-W65 HydrophobicContact CG-CZ3 3.95Å; P38-S125 WeakPolarHBondContact CD-OG 3.24Å; P38-A128 HydrophobicContact CB-CB 3.56Å; P38-A128 HydrophobicContact CG-CB 3.67Å
39Q92.4Very high85.2Confident158 Ų15863.5 Ų63.574%0.73836%0.358SS*.  trans-128.8151.5179-59.9-178.58.900109.1Q41Q39-Q41 PolarHBondContact O-N 3.1Å
40D89.4Confident85.3Confident115 Ų11566.5 Ų66.562%0.61537%0.365SS*.  trans-57.8129.1177.5-73.410.6000110.3A128 R129D40-A128 VanDerWaalsContact OD1-CA 3.29Å; D40-A128 WeakPolarHBondContact OD1-CA 3.43Å; D40-R129 CarbonylContact C-O 3.53Å; D40-R129 WeakPolarHBondContact CA-O 3.44Å; D40-R129 PolarHBondContact OD1-N 3.36Å
41Q86.3Confident85.3Confident56 Ų5664.7 Ų64.726%0.26235%0.351SS..EExtended strand (participates in β ladder)trans-117.5118.5-179.5-170.8171.319.200110Q39 M51 R129 L130 S131Q39-Q41 PolarHBondContact O-N 3.1Å; Q41-M51 HydrophobicContact CB-SD 4.21Å; Q41-R129 PolarHBondContact N-O 3.08Å; Q41-L130 HydrophobicContact CB-CD1 3.95Å; Q41-L130 HydrophobicContact CG-CD1 4.25Å; Q41-S131 PolarHBondContact O-N 3.2Å
42L81.8Confident85.3Confident52 Ų5263.1 Ų63.127%0.27234%0.342SS..EExtended strand (participates in β ladder)trans-95119.4171.5179.267.7000109.3Q44 S131 A133 P165L42-Q44 HydrophobicContact CG-CG 4.47Å; L42-S131 CarbonylContact C-O 3.51Å; L42-S131 WeakPolarHBondContact CA-O 3.45Å; L42-A133 HydrophobicContact CD1-CB 4.1Å; L42-A133 HydrophobicContact CG-CB 4.46Å; L42-P165 HydrophobicContact CD2-CG 3.48Å; L42-P165 VanDerWaalsContact CD2-CG 3.48Å
43F77.1Confident85.2Confident17 Ų1762.7 Ų62.78%0.07534%0.339CS..EExtended strand (participates in β ladder)trans-103.4136.2-171.2-169.2-102.7000112.7G45 G47 P93 S131 A133F43-G45 WeakPolarHBondContact CE1-O 3.38Å; F43-G45 WeakPolarHBondContact CZ-O 3.28Å; F43-G47 WeakPolarHBondContact CE2-O 3.39Å; F43-G47 WeakPolarHBondContact CZ-O 3.11Å; F43-P93 HydrophobicContact CD1-CB 3.85Å; F43-P93 HydrophobicContact CD1-CG 3.97Å; F43-P93 HydrophobicContact CD2-CG 4.25Å; F43-P93 HydrophobicContact CE1-CB 3.75Å; F43-P93 HydrophobicContact CE1-CG 3.4Å; F43-P93 HydrophobicContact CE2-CB 4.47Å; F43-P93 HydrophobicContact CE2-CG 3.73Å; F43-P93 HydrophobicContact CG-CB 4.26Å; F43-P93 HydrophobicContact CG-CG 4.36Å; F43-P93 HydrophobicContact CZ-CB 4.1Å; F43-P93 HydrophobicContact CZ-CG 3.28Å; F43-S131 PolarHBondContact N-O 3.21Å; F43-A133 PolarHBondContact O-N 2.84Å
44Q68Low85.2Confident93 Ų9363.4 Ų63.444%0.43534%0.337SS..  trans-140.3-9.5-161.7-60.7173.66.600115.3L42 A133 S212L42-Q44 HydrophobicContact CG-CG 4.47Å; Q44-A133 HydrophobicContact CG-CB 4.14Å; Q44-S212 VanDerWaalsContact NE2-CB 3.3Å; Q44-S212 PolarHBondContact NE2-OG 3.48Å
45G64.1Low85.1Confident29 Ų2963.1 Ų63.130%0.29934%0.339SS..SBendtrans-138.9-152.7-168.800000113.7F43F43-G45 WeakPolarHBondContact CE1-O 3.38Å; F43-G45 WeakPolarHBondContact CZ-O 3.28Å
46P62.9Low85.1Confident138 Ų13860.1 Ų60.190%0.89633%0.327SS*.SBendtrans-112.716.4-179.340.2-33.5000114.8
47G70.9Confident85Confident32 Ų3257.9 Ų57.933%0.3332%0.316SS..SBendtrans-88.2172178.100000113.9F43 P93F43-G47 WeakPolarHBondContact CE2-O 3.39Å; F43-G47 WeakPolarHBondContact CZ-O 3.11Å; G47-P93 WeakPolarHBondContact O-CG 3.45Å
48P80.6Confident84.9Confident74 Ų7458.6 Ų58.648%0.48132%0.32SS..PPolyproline II helixtrans-71.4143.6173.330.4-34.9000111.7L90P48-L90 CarbonylContact C-O 3.58Å; P48-L90 WeakPolarHBondContact CA-O 2.99Å; P48-L90 WeakPolarHBondContact CB-O 3.46Å
49A84.1Confident84.9Confident1 Ų159.8 Ų59.81%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-80.5151.6167.800000110.2L89 L90 P93 L130A49-L89 VanDerWaalsContact O-CA 3.31Å; A49-L89 WeakPolarHBondContact O-CA 3.32Å; A49-L90 HydrophobicContact CB-CB 4.27Å; A49-L90 PolarHBondContact N-O 3.35Å; A49-L90 PolarHBondContact O-N 2.92Å; A49-P93 HydrophobicContact CB-CB 4.47Å; A49-L130 HydrophobicContact CB-CD1 3.85Å; A49-L130 HydrophobicContact CB-CD2 4.11Å
50R89.1Confident84.9Confident131 Ų13157.1 Ų57.149%0.49432%0.324SS..EExtended strand (participates in β ladder)trans-137.8104.9-170.4-176.1-172172.8134.415.8111.7S52 D85 T87 L88 L89R50-S52 PolarHBondContact NE-OG 3.2Å; R50-S52 PolarHBondContact NH2-OG 3.3Å; R50-D85 IonicContact NH2-OD2 3.87Å; R50-D85 PolarHBondContact NH2-OD2 3.41Å; R50-T87 HydrophobicContact CG-CG2 3.42Å; R50-T87 VanDerWaalsContact CG-CG2 3.42Å; R50-T87 PolarHBondContact NH2-OG1 2.81Å; R50-L88 WeakPolarHBondContact CA-O 3.37Å; R50-L89 HydrophobicContact CB-CD2 3.79Å; R50-L89 HydrophobicContact CG-CD2 3.82Å
51M90.9Very high85.1Confident5 Ų552.8 Ų52.83%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-100.9102.6173-50.7-57.1-96.800109P38 Q41 W65 L88 Y112 A128 L130P38-M51 HydrophobicContact CB-CB 4.43Å; Q41-M51 HydrophobicContact CB-SD 4.21Å; M51-W65 HydrophobicContact CB-CH2 3.62Å; M51-W65 HydrophobicContact CB-CZ2 4.28Å; M51-W65 HydrophobicContact CB-CZ3 3.84Å; M51-W65 WeakPolarHBondContact O-CH2 3.47Å; M51-W65 WeakPolarHBondContact O-CZ2 3.29Å; M51-L88 HydrophobicContact CB-CB 4.32Å; M51-L88 PolarHBondContact N-O 2.95Å; M51-L88 PolarHBondContact O-N 2.87Å; M51-Y112 HydrophobicContact CE-CD2 4.14Å; M51-Y112 HydrophobicContact CE-CG 4.27Å; M51-Y112 HydrophobicContact CG-CG 4.3Å; M51-A128 HydrophobicContact CE-CB 3.61Å; M51-L130 HydrophobicContact CE-CB 4.43Å
52S92.8Very high85.4Confident34 Ų3454.6 Ų54.624%0.23832%0.317CS..  trans-89130.7178.3-77.60000112.3P38 R50 T87P38-S52 WeakPolarHBondContact CA-O 3.47Å; R50-S52 PolarHBondContact NE-OG 3.2Å; R50-S52 PolarHBondContact NH2-OG 3.3Å; S52-T87 WeakPolarHBondContact OG-CG2 3.43Å; S52-T87 PolarHBondContact OG-OG1 2.88Å
53C94.4Very high85.9Confident2 Ų253.8 Ų53.81%0.01431%0.312CS..  trans-128.4148168.3-175.90000109.9V36 W65 G86 C114V36-C53 WeakPolarHBondContact O-CA 3.48Å; C53-W65 HydrophobicContact CB-CH2 3.74Å; C53-W65 HydrophobicContact CB-CZ2 3.37Å; C53-G86 CarbonylContact O-C 3.54Å; C53-G86 WeakPolarHBondContact O-CA 3.49Å; C53-C114 HydrophobicContact CB-CB 3.41Å; C53-C114 VanDerWaalsContact CB-CB 3.41Å; C53-C114 WeakPolarHBondContact CB-SG 3.33Å; C53-C114 WeakPolarHBondContact SG-CB 3.47Å; C53-C114 CovalentContact SG-SG 2.03Å; C53-C114 PolarHBondContact SG-SG 3.44Å
54R94.3Very high86.6Confident136 Ų13658.3 Ų58.351%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-143.6138.8170.8-174.4176-66.9-174.2-0109.8L35 V36L35-R54 PolarHBondContact N-O 3.31Å; V36-R54 HydrophobicContact CB-CB 3.88Å; V36-R54 HydrophobicContact CG2-CB 3.94Å; V36-R54 PolarHBondContact N-O 3.38Å; V36-R54 PolarHBondContact O-N 3.17Å; V36-R54 VanDerWaalsContact O-N 3.1Å
55A93.4Very high87.8Confident21 Ų2154.2 Ų54.217%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-130.3156177.700000111.8Q33 I34 P61 I63 A116Q33-A55 CarbonylContact O-C 3.51Å; Q33-A55 WeakPolarHBondContact O-CA 3.34Å; Q33-A55 WeakPolarHBondContact O-CB 3.4Å; I34-A55 HydrophobicContact CD1-CB 3.94Å; A55-P61 HydrophobicContact CB-CG 3.85Å; A55-I63 HydrophobicContact CB-CD1 4.49Å; A55-A116 HydrophobicContact CB-CB 3.41Å; A55-A116 VanDerWaalsContact CB-CB 3.41Å
56S93.5Very high89.1Confident43 Ų4353.9 Ų53.930%0.30130%0.301SS..EExtended strand (participates in β ladder)trans-120.9154.4170.849.80000110.7P32 Q33 L35P32-S56 CarbonylContact C-O 3.46Å; P32-S56 WeakPolarHBondContact CA-O 3.44Å; Q33-S56 PolarHBondContact N-O 2.98Å; Q33-S56 PolarHBondContact O-N 3.44Å; L35-S56 WeakPolarHBondContact CG-OG 3.45Å
57G91.5Very high90.4Very high17 Ų1748 Ų4818%0.17526%0.262CS..EExtended strand (participates in β ladder)trans167.4162.6176.700000109.4P59 P60G57-P59 CarbonylContact C-O 3.55Å; G57-P59 VanDerWaalsContact C-O 3.28Å; G57-P59 CarbonylContact O-C 3.45Å; G57-P60 WeakPolarHBondContact O-CA 3.34Å
58Q92.8Very high91.2Very high68 Ų6851.1 Ų51.132%0.31827%0.271SS..EExtended strand (participates in β ladder)trans-129.2116.6178.2-17863.37.400109.2A27 D29 S30 L120A27-Q58 HydrophobicContact CB-CG 4.12Å; D29-Q58 CarbonylContact C-O 3.56Å; D29-Q58 WeakPolarHBondContact CA-O 3.32Å; S30-Q58 PolarHBondContact N-O 3.47Å; S30-Q58 PolarHBondContact O-N 3.42Å; S30-Q58 WeakPolarHBondContact OG-CB 3.42Å; S30-Q58 PolarHBondContact OG-N 2.91Å; S30-Q58 VanDerWaalsContact OG-N 3.16Å; Q58-L120 WeakPolarHBondContact O-CD1 3.46Å
59P93.1Very high91.5Very high34 Ų3449.9 Ų49.922%0.22127%0.271CS..SBendcis-60.3159.7-4.6-22.134.3000113.7G57 N118 R119G57-P59 CarbonylContact C-O 3.55Å; G57-P59 VanDerWaalsContact C-O 3.28Å; G57-P59 CarbonylContact O-C 3.45Å; P59-N118 WeakPolarHBondContact O-CB 3.46Å; P59-N118 PolarHBondContact O-ND2 2.86Å; P59-R119 HydrophobicContact CG-CG 4.29Å; P59-R119 VanDerWaalsContact CG-CZ 3.46Å
60P92.1Very high91.7Very high102 Ų10256.4 Ų56.466%0.66230%0.302SS*.PPolyproline II helixtrans-52.3129.3178.9-28.936.2000112.5G57G57-P60 WeakPolarHBondContact O-CA 3.34Å
61P93.6Very high91.6Very high23 Ų2354.3 Ų54.315%0.14931%0.305CS..PPolyproline II helixtrans-81.1143.1-175.432.1-35.4000112.8P32 A55 A116 S117 N118P32-P61 HydrophobicContact CB-CB 3.92Å; P32-P61 HydrophobicContact CB-CG 4.27Å; A55-P61 HydrophobicContact CB-CG 3.85Å; P61-A116 HydrophobicContact CB-CB 4.17Å; P61-A116 HydrophobicContact CG-CB 4.42Å; P61-S117 CarbonylContact C-O 3.54Å; P61-S117 VanDerWaalsContact CA-O 3.24Å; P61-S117 WeakPolarHBondContact CA-O 3.3Å; P61-N118 HydrophobicContact CB-CB 4.19Å
62T92.6Very high91.3Very high94 Ų9455.9 Ų55.958%0.57731%0.313SS*.EExtended strand (participates in β ladder)trans-82134.7171.856.60000110.2A116 S117T62-A116 CarbonylContact O-C 3.42Å; T62-A116 WeakPolarHBondContact O-CA 3.46Å; T62-S117 PolarHBondContact N-O 3.06Å; T62-S117 PolarHBondContact O-N 2.87Å; T62-S117 PolarHBondContact OG1-O 3.02Å; T62-S117 PolarHBondContact OG1-OG 2.81Å
63I92.6Very high90.5Very high35 Ų3558.3 Ų58.318%0.17933%0.331CS..EExtended strand (participates in β ladder)trans-97.7131.1178.1-70.6169.7000109.7A55 E115 A116A55-I63 HydrophobicContact CB-CD1 4.49Å; I63-E115 WeakPolarHBondContact CA-O 3.23Å; I63-A116 HydrophobicContact CG1-CB 4.26Å
64R91.9Very high89.4Confident112 Ų11262.5 Ų62.542%0.42335%0.351SS..EExtended strand (participates in β ladder)trans-125153.8166.352.6-178.6159.7134.7-5.5109.5E115R64-E115 HydrophobicContact CG-CB 4.07Å; R64-E115 HydrophobicContact CG-CG 4.5Å; R64-E115 WeakPolarHBondContact CG-O 3.45Å; R64-E115 IonicContact CZ-OE1 2.95Å; R64-E115 VanDerWaalsContact CZ-OE1 3.24Å; R64-E115 IonicContact CZ-OE2 2.84Å; R64-E115 PolarHBondContact N-O 2.89Å; R64-E115 IonicContact NE-OE1 3.73Å; R64-E115 IonicContact NE-OE2 2.98Å; R64-E115 PolarHBondContact NE-OE2 2.88Å; R64-E115 IonicContact NH1-OE1 3.95Å; R64-E115 IonicContact NH1-OE2 3.92Å; R64-E115 PolarHBondContact NH1-OE2 3.27Å; R64-E115 IonicContact NH2-OE1 3.78Å; R64-E115 PolarHBondContact NH2-OE1 2.87Å; R64-E115 IonicContact NH2-OE2 2.78Å; R64-E115 PolarHBondContact NH2-OE2 3.03Å; R64-E115 PolarHBondContact O-N 3.43Å
65W92.8Very high88.4Confident7 Ų760.8 Ų60.83%0.02736%0.356CS..EExtended strand (participates in β ladder)trans-112.1144.1179.9-74.188000111P38 M51 C53 L72 G86 L88 Y112 T113 C114P38-W65 HydrophobicContact CB-CH2 3.93Å; P38-W65 HydrophobicContact CB-CZ3 4.15Å; P38-W65 HydrophobicContact CG-CH2 4.03Å; P38-W65 HydrophobicContact CG-CZ3 3.95Å; M51-W65 HydrophobicContact CB-CH2 3.62Å; M51-W65 HydrophobicContact CB-CZ2 4.28Å; M51-W65 HydrophobicContact CB-CZ3 3.84Å; M51-W65 WeakPolarHBondContact O-CH2 3.47Å; M51-W65 WeakPolarHBondContact O-CZ2 3.29Å; C53-W65 HydrophobicContact CB-CH2 3.74Å; C53-W65 HydrophobicContact CB-CZ2 3.37Å; W65-L72 HydrophobicContact CB-CD1 3.89Å; W65-L72 PolarHBondContact O-N 3.31Å; W65-G86 WeakPolarHBondContact CZ2-O 3.41Å; W65-G86 PolarHBondContact NE1-O 2.92Å; W65-L88 HydrophobicContact CB-CD2 4.18Å; W65-L88 HydrophobicContact CD2-CB 4.1Å; W65-L88 HydrophobicContact CD2-CD2 4.11Å; W65-L88 HydrophobicContact CE3-CD2 4.42Å; W65-L88 HydrophobicContact CG-CB 4.28Å; W65-L88 HydrophobicContact CG-CD1 4.27Å; W65-L88 HydrophobicContact CG-CD2 4Å; W65-L88 HydrophobicContact CG-CG 4.44Å; W65-L88 HydrophobicContact CZ2-CB 4.17Å; W65-Y112 HydrophobicContact CE3-CD1 4.45Å; W65-T113 WeakPolarHBondContact CA-O 3.41Å; W65-C114 HydrophobicContact CD2-CB 4.18Å; W65-C114 HydrophobicContact CE3-CB 4.06Å; W65-C114 HydrophobicContact CH2-CB 3.93Å; W65-C114 HydrophobicContact CZ2-CB 4.04Å; W65-C114 HydrophobicContact CZ3-CB 3.93Å
66L91.9Very high87Confident23 Ų2365.4 Ų65.412%0.1238%0.384CS..EExtended strand (participates in β ladder)trans-120.3142.6172.1-49.689.6000108.8Q70 Y112 T113 E115L66-Q70 CarbonylContact C-O 3.59Å; L66-Q70 WeakPolarHBondContact CA-O 3.3Å; L66-Q70 WeakPolarHBondContact CB-O 3.47Å; L66-Y112 CarbonylContact O-C 3.54Å; L66-Y112 WeakPolarHBondContact O-CA 3.32Å; L66-T113 PolarHBondContact N-O 2.88Å; L66-T113 PolarHBondContact O-N 3.49Å; L66-E115 HydrophobicContact CD1-CB 3.7Å
67L89.4Confident85.4Confident14 Ų1470 Ų707%0.07341%0.412CS..EExtended strand (participates in β ladder)trans-116.8124.5172.7177.152.4000108.6G69 Q70 L72 T107 Y112L67-G69 PolarHBondContact O-N 2.58Å; L67-Q70 PolarHBondContact N-O 3.25Å; L67-Q70 PolarHBondContact O-N 2.81Å; L67-L72 HydrophobicContact CB-CD1 4.42Å; L67-L72 HydrophobicContact CB-CD2 3.64Å; L67-L72 HydrophobicContact CB-CG 4.03Å; L67-L72 HydrophobicContact CD2-CD2 4.06Å; L67-T107 WeakPolarHBondContact CD2-O 3.33Å; L67-Y112 HydrophobicContact CB-CE1 4.47Å; L67-Y112 HydrophobicContact CD1-CD1 4.4Å; L67-Y112 HydrophobicContact CD1-CD2 3.73Å; L67-Y112 HydrophobicContact CD1-CE1 4.27Å; L67-Y112 HydrophobicContact CD1-CE2 3.54Å; L67-Y112 HydrophobicContact CD1-CG 4.16Å; L67-Y112 HydrophobicContact CD2-CE1 4.28Å; L67-Y112 HydrophobicContact CD2-CE2 4.34Å
68N87.6Confident84.4Confident98 Ų9871 Ų7152%0.52441%0.414SS..THydrogen-bonded Turntrans53.328.8-176.2-57.5-44.7000113.1L109 G110 V111N68-L109 PolarHBondContact ND2-O 3.07Å; N68-G110 VanDerWaalsContact OD1-CA 3.25Å; N68-G110 WeakPolarHBondContact OD1-CA 3.34Å; N68-V111 PolarHBondContact N-O 2.99Å; N68-V111 PolarHBondContact OD1-N 2.82Å
69G86.2Confident83.7Confident47 Ų4770.1 Ų70.149%0.48541%0.414SS..THydrogen-bonded Turntrans87.5-3.5-178.600000115.9L67L67-G69 PolarHBondContact O-N 2.58Å
70Q88.6Confident83.4Confident139 Ų13969.1 Ų69.165%0.6541%0.406SS*.EExtended strand (participates in β ladder)trans-100.3139175-62.3-57.8-38.500111L66 L67L66-Q70 CarbonylContact C-O 3.59Å; L66-Q70 WeakPolarHBondContact CA-O 3.3Å; L66-Q70 WeakPolarHBondContact CB-O 3.47Å; L67-Q70 PolarHBondContact N-O 3.25Å; L67-Q70 PolarHBondContact O-N 2.81Å
71P87.6Confident83.1Confident86 Ų8669.1 Ų69.156%0.55840%0.397SS*.EExtended strand (participates in β ladder)trans-65.3135.317928.3-34.7000111.4
72L85.7Confident82.8Confident38 Ų3870.2 Ų70.220%0.19940%0.401CS..PPolyproline II helixtrans-72129.7176.9-73.9174000111.2W65 L67 M74 L88 Y112W65-L72 HydrophobicContact CB-CD1 3.89Å; W65-L72 PolarHBondContact O-N 3.31Å; L67-L72 HydrophobicContact CB-CD1 4.42Å; L67-L72 HydrophobicContact CB-CD2 3.64Å; L67-L72 HydrophobicContact CB-CG 4.03Å; L67-L72 HydrophobicContact CD2-CD2 4.06Å; L72-M74 PolarHBondContact O-N 2.89Å; L72-L88 HydrophobicContact CD1-CD2 3.74Å; L72-Y112 HydrophobicContact CD1-CD1 4.13Å; L72-Y112 HydrophobicContact CD1-CE1 3.82Å
73S75.3Confident82.6Confident86 Ų8668.2 Ų68.260%0.60139%0.387SS*.  trans-91.680.7-177.6176.30000111V75S73-V75 PolarHBondContact O-N 3Å
74M71.6Confident82.2Confident89 Ų8973.3 Ų73.344%0.43842%0.422SS..  trans-70.454179.2-55.8-168.5-47.800113.7L72 D78 L82 L88L72-M74 PolarHBondContact O-N 2.89Å; M74-D78 VanDerWaalsContact CA-OD2 3.28Å; M74-D78 WeakPolarHBondContact CA-OD2 3.24Å; M74-L82 HydrophobicContact CE-CB 3.88Å; M74-L82 HydrophobicContact CE-CD2 3.86Å; M74-L82 HydrophobicContact SD-CB 3.67Å; M74-L82 HydrophobicContact SD-CD2 4.44Å; M74-L88 HydrophobicContact SD-CD1 4.36Å
75V71.7Confident81.9Confident101 Ų10170.8 Ų70.861%0.61242%0.417SS*.  trans-105.6117.5176.5179.30000107.2S73 P77S73-V75 PolarHBondContact O-N 3Å; V75-P77 CarbonylContact O-C 3.55Å
76P64.6Low81.6Confident118 Ų11870.7 Ų70.777%0.76642%0.418SS*.SBendtrans-58.5137-178.3-26.935.3000112.8
77P59.3Low81.6Confident138 Ų13869.6 Ų69.690%0.89641%0.413SS*.SBendcis-86.1115.1133.1-32000113.2V75V75-P77 CarbonylContact O-C 3.55Å
78D71.7Confident81.6Confident40 Ų4069.1 Ų69.121%0.21441%0.41CS..  trans-118.1130.8169.5-178.4-3.5000107.9M74 H80M74-D78 VanDerWaalsContact CA-OD2 3.28Å; M74-D78 WeakPolarHBondContact CA-OD2 3.24Å; D78-H80 PolarHBondContact O-N 3.14Å; D78-H80 WeakPolarHBondContact OD1-CB 3.34Å; D78-H80 IonicContact OD1-CE1 2.68Å; D78-H80 IonicContact OD1-CG 3.24Å; D78-H80 PolarHBondContact OD1-N 3.43Å; D78-H80 IonicContact OD1-ND1 3.2Å; D78-H80 PolarHBondContact OD1-ND1 3.38Å; D78-H80 IonicContact OD2-ND1 3.72Å
79P78.6Confident81.6Confident48 Ų4866.2 Ų66.231%0.31239%0.394SS..SBendtrans-68-9.317330.2-38.7000114.1L90 L91P79-L90 HydrophobicContact CB-CD1 3.81Å; P79-L90 HydrophobicContact CG-CD1 4Å; P79-L91 PolarHBondContact O-N 3.06Å
80H85.1Confident81.5Confident13 Ų1364.2 Ų64.26%0.0637%0.373CS..EExtended strand (participates in β ladder)trans-87.4138.7174-54.986.9000112.6D78 L88 L89 D108 Y112D78-H80 PolarHBondContact O-N 3.14Å; D78-H80 WeakPolarHBondContact OD1-CB 3.34Å; D78-H80 IonicContact OD1-CE1 2.68Å; D78-H80 IonicContact OD1-CG 3.24Å; D78-H80 PolarHBondContact OD1-N 3.43Å; D78-H80 IonicContact OD1-ND1 3.2Å; D78-H80 PolarHBondContact OD1-ND1 3.38Å; D78-H80 IonicContact OD2-ND1 3.72Å; H80-L88 HydrophobicContact CB-CD1 4.15Å; H80-L89 CarbonylContact C-O 3.58Å; H80-L89 WeakPolarHBondContact CA-O 3.41Å; H80-D108 IonicContact CE1-OD1 3.54Å; H80-Y112 AromaticContact NE2-CE1 3.84Å; H80-Y112 AromaticContact NE2-CZ 3.86Å; H80-Y112 PolarHBondContact NE2-OH 3.07Å
81H86.3Confident81Confident102 Ų10262.1 Ų62.147%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-136.3116.3178.7-179-76.9000111.4L89 L91H81-L89 PolarHBondContact N-O 3.27Å; H81-L89 PolarHBondContact O-N 3.5Å; H81-L91 HydrophobicContact CB-CD1 4.41Å
82L87.6Confident80.1Confident46 Ų4665.7 Ų65.724%0.24138%0.375CS..EExtended strand (participates in β ladder)trans-86.9126.7177.6-177.661.4000111.6M74 L88M74-L82 HydrophobicContact CE-CB 3.88Å; M74-L82 HydrophobicContact CE-CD2 3.86Å; M74-L82 HydrophobicContact SD-CB 3.67Å; M74-L82 HydrophobicContact SD-CD2 4.44Å; L82-L88 HydrophobicContact CB-CD1 4.37Å
83L88.1Confident79.2Confident53 Ų5364.5 Ų64.528%0.27737%0.369SS..  trans-86.1155.4173.8-77.881.3000111.7D85 G86 T87 L89L83-D85 VanDerWaalsContact CB-OD1 3.3Å; L83-D85 WeakPolarHBondContact CB-OD1 3.17Å; L83-D85 PolarHBondContact O-N 3.32Å; L83-G86 PolarHBondContact O-N 2.97Å; L83-T87 HydrophobicContact CD1-CG2 4.47Å; L83-T87 WeakPolarHBondContact CD1-O 3.38Å; L83-T87 PolarHBondContact N-O 2.89Å; L83-L89 HydrophobicContact CD1-CB 4.49Å; L83-L89 HydrophobicContact CD1-CD1 3.71Å; L83-L89 HydrophobicContact CD1-CG 3.66Å
84P84.6Confident78.7Confident142 Ų14262.4 Ų62.492%0.92235%0.353SS*.THydrogen-bonded Turntrans-59.4-13175.7-25.134.9000115.9
85D86.4Confident78Confident58 Ų5861.9 Ų61.931%0.3136%0.364SS..THydrogen-bonded Turntrans-87.4-3.5176.579.1-28.3000113.9R50 L83 T87R50-D85 IonicContact NH2-OD2 3.87Å; R50-D85 PolarHBondContact NH2-OD2 3.41Å; L83-D85 VanDerWaalsContact CB-OD1 3.3Å; L83-D85 WeakPolarHBondContact CB-OD1 3.17Å; L83-D85 PolarHBondContact O-N 3.32Å; D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 WeakPolarHBondContact OD1-CB 3.33Å; D85-T87 PolarHBondContact OD1-N 2.86Å; D85-T87 PolarHBondContact OD1-OG1 2.65Å; D85-T87 PolarHBondContact OD2-OG1 3.42Å
86G86.4Confident77.4Confident5 Ų564.1 Ų64.15%0.05236%0.361CS..SBendtrans94.4-1.8-174.400000114.9C53 W65 L83C53-G86 CarbonylContact O-C 3.54Å; C53-G86 WeakPolarHBondContact O-CA 3.49Å; W65-G86 WeakPolarHBondContact CZ2-O 3.41Å; W65-G86 PolarHBondContact NE1-O 2.92Å; L83-G86 PolarHBondContact O-N 2.97Å
87T90.6Very high76.8Confident1 Ų160.4 Ų60.41%0.00634%0.344CS..  trans-76.4126.4178-61.50000112.2R50 S52 L83 D85 L89R50-T87 HydrophobicContact CG-CG2 3.42Å; R50-T87 VanDerWaalsContact CG-CG2 3.42Å; R50-T87 PolarHBondContact NH2-OG1 2.81Å; S52-T87 WeakPolarHBondContact OG-CG2 3.43Å; S52-T87 PolarHBondContact OG-OG1 2.88Å; L83-T87 HydrophobicContact CD1-CG2 4.47Å; L83-T87 WeakPolarHBondContact CD1-O 3.38Å; L83-T87 PolarHBondContact N-O 2.89Å; D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 WeakPolarHBondContact OD1-CB 3.33Å; D85-T87 PolarHBondContact OD1-N 2.86Å; D85-T87 PolarHBondContact OD1-OG1 2.65Å; D85-T87 PolarHBondContact OD2-OG1 3.42Å; T87-L89 HydrophobicContact CG2-CD2 4.48Å
88L90.1Very high76.4Confident3 Ų359.4 Ų59.42%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-86.2131165.2-163.670.5000110.1R50 M51 W65 L72 M74 H80 L82 Y112R50-L88 WeakPolarHBondContact CA-O 3.37Å; M51-L88 HydrophobicContact CB-CB 4.32Å; M51-L88 PolarHBondContact N-O 2.95Å; M51-L88 PolarHBondContact O-N 2.87Å; W65-L88 HydrophobicContact CB-CD2 4.18Å; W65-L88 HydrophobicContact CD2-CB 4.1Å; W65-L88 HydrophobicContact CD2-CD2 4.11Å; W65-L88 HydrophobicContact CE3-CD2 4.42Å; W65-L88 HydrophobicContact CG-CB 4.28Å; W65-L88 HydrophobicContact CG-CD1 4.27Å; W65-L88 HydrophobicContact CG-CD2 4Å; W65-L88 HydrophobicContact CG-CG 4.44Å; W65-L88 HydrophobicContact CZ2-CB 4.17Å; L72-L88 HydrophobicContact CD1-CD2 3.74Å; M74-L88 HydrophobicContact SD-CD1 4.36Å; H80-L88 HydrophobicContact CB-CD1 4.15Å; L82-L88 HydrophobicContact CB-CD1 4.37Å; L88-Y112 HydrophobicContact CD2-CD1 3.67Å; L88-Y112 HydrophobicContact CD2-CE1 3.61Å
89L87.7Confident75.2Confident37 Ų3760.3 Ų60.319%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-105.5137.9162.5-66.9179000109.8A49 R50 H80 H81 L83 T87 L91A49-L89 VanDerWaalsContact O-CA 3.31Å; A49-L89 WeakPolarHBondContact O-CA 3.32Å; R50-L89 HydrophobicContact CB-CD2 3.79Å; R50-L89 HydrophobicContact CG-CD2 3.82Å; H80-L89 CarbonylContact C-O 3.58Å; H80-L89 WeakPolarHBondContact CA-O 3.41Å; H81-L89 PolarHBondContact N-O 3.27Å; H81-L89 PolarHBondContact O-N 3.5Å; L83-L89 HydrophobicContact CD1-CB 4.49Å; L83-L89 HydrophobicContact CD1-CD1 3.71Å; L83-L89 HydrophobicContact CD1-CG 3.66Å; T87-L89 HydrophobicContact CG2-CD2 4.48Å; L89-L91 HydrophobicContact CB-CD2 4.32Å
90L85.1Confident73.6Confident5 Ų564.3 Ų64.33%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-102.4116.8160.9174.963000106.9P48 A49 P79 P93 D108 L130P48-L90 CarbonylContact C-O 3.58Å; P48-L90 WeakPolarHBondContact CA-O 2.99Å; P48-L90 WeakPolarHBondContact CB-O 3.46Å; A49-L90 HydrophobicContact CB-CB 4.27Å; A49-L90 PolarHBondContact N-O 3.35Å; A49-L90 PolarHBondContact O-N 2.92Å; P79-L90 HydrophobicContact CB-CD1 3.81Å; P79-L90 HydrophobicContact CG-CD1 4Å; L90-P93 HydrophobicContact CD2-CB 3.94Å; L90-P93 HydrophobicContact CG-CB 4.35Å; L90-P93 WeakPolarHBondContact O-CD 3.38Å; L90-D108 HydrophobicContact CD1-CB 4.2Å; L90-D108 HydrophobicContact CD2-CB 3.81Å; L90-L130 HydrophobicContact CD2-CD2 3.81Å
91L76.1Confident71.4Confident95 Ų9570 Ų7050%0.49739%0.385SS..SBendtrans-79.9-28-168.4-64.4177.2000113.8P79 H81 L89P79-L91 PolarHBondContact O-N 3.06Å; H81-L91 HydrophobicContact CB-CD1 4.41Å; L89-L91 HydrophobicContact CB-CD2 4.32Å
92Q69.8Low69.4Low162 Ų16269.4 Ų69.476%0.75741%0.406SS*.SBendtrans-132.866179.5-67.8-174.2-37.900111.2
93P66.2Low67.1Low13 Ų1375.6 Ų75.68%0.08443%0.434CS..  trans-59.8143.7172.526.5-35.2000111F43 G47 A49 L90 A95F43-P93 HydrophobicContact CD1-CB 3.85Å; F43-P93 HydrophobicContact CD1-CG 3.97Å; F43-P93 HydrophobicContact CD2-CG 4.25Å; F43-P93 HydrophobicContact CE1-CB 3.75Å; F43-P93 HydrophobicContact CE1-CG 3.4Å; F43-P93 HydrophobicContact CE2-CB 4.47Å; F43-P93 HydrophobicContact CE2-CG 3.73Å; F43-P93 HydrophobicContact CG-CB 4.26Å; F43-P93 HydrophobicContact CG-CG 4.36Å; F43-P93 HydrophobicContact CZ-CB 4.1Å; F43-P93 HydrophobicContact CZ-CG 3.28Å; G47-P93 WeakPolarHBondContact O-CG 3.45Å; A49-P93 HydrophobicContact CB-CB 4.47Å; L90-P93 HydrophobicContact CD2-CB 3.94Å; L90-P93 HydrophobicContact CG-CB 4.35Å; L90-P93 WeakPolarHBondContact O-CD 3.38Å; P93-A95 PolarHBondContact O-N 3.4Å
94P64.9Low64.8Low41 Ų4177.2 Ų77.227%0.26646%0.455SS..  trans-60.8119.9-176.522.6-33.8000112R96 L109 V132P94-R96 PolarHBondContact O-N 2.82Å; P94-L109 HydrophobicContact CG-CD1 3.96Å; P94-L109 HydrophobicContact CG-CD2 3.97Å; P94-L109 HydrophobicContact CG-CG 4.01Å; P94-V132 HydrophobicContact CG-CG2 3.92Å; P94-V132 WeakPolarHBondContact O-CG2 3.46Å
95A57.4Low63.1Low79 Ų7978 Ų7865%0.65345%0.45SS*.  trans-78.7112.8-178.200000111.3P93P93-A95 PolarHBondContact O-N 3.4Å
96R58.3Low61.9Low148 Ų14876.4 Ų76.456%0.55844%0.444SS*.  trans46.793.6168-64.7-177.6-179.6172-1.9115.3P94 H98P94-R96 PolarHBondContact O-N 2.82Å; R96-H98 PolarHBondContact O-N 3.37Å
97G52.4Low60.9Low39 Ų3981.6 Ų81.640%0.40248%0.475SS..  trans-65.791.8169.300000112.4A99G97-A99 PolarHBondContact O-N 2.81Å; G97-A99 VanDerWaalsContact O-N 3.12Å
98H51Low60.1Low118 Ų11883 Ų8355%0.54648%0.483SS..  trans-65.1102.2150.2-78-106.7000106.5R96 H100 E137 R216R96-H98 PolarHBondContact O-N 3.37Å; H98-H100 PolarHBondContact O-N 2.79Å; H98-E137 IonicContact CE1-OE1 2.82Å; H98-E137 PolarHBondContact CE1-OE1 2.89Å; H98-E137 IonicContact CG-OE1 2.78Å; H98-E137 IonicContact ND1-OE1 2.72Å; H98-E137 PolarHBondContact ND1-OE1 3.34Å; H98-R216 PolarHBondContact CE1-NH2 2.83Å; H98-R216 VanDerWaalsContact CE1-NH2 3.3Å; H98-R216 PolarHBondContact ND1-NH2 2.82Å
99A47.4Very low59.6Low59 Ų5984.5 Ų84.549%0.48849%0.49SS..  trans-78.957.2-176.900000111.6G97 V134 R136G97-A99 PolarHBondContact O-N 2.81Å; G97-A99 VanDerWaalsContact O-N 3.12Å; A99-V134 HydrophobicContact CB-CG1 4.37Å; A99-R136 HydrophobicContact CB-CG 4.3Å
100H45.2Very low59.5Low132 Ų13283 Ų8361%0.61148%0.484SS*.  trans-97.7118.8169.1-140.6-62.6000107.9H98H98-H100 PolarHBondContact O-N 2.79Å
101D38.8Very low59.7Low132 Ų13284.9 Ų84.971%0.70650%0.496SS*.SBendtrans47.494.3-176-70.9-53.2000117.4Q103D101-Q103 WeakPolarHBondContact O-CB 3.47Å; D101-Q103 PolarHBondContact O-N 2.93Å
102G43.3Very low60.5Low89 Ų8980.4 Ų80.492%0.91847%0.472SS*.  trans57.2-7.8132.100000122
103Q40.1Very low61.7Low176 Ų17673.9 Ų73.982%0.82244%0.443SS*.  trans-97112.8-159-152.473.2-7.400111.6D101D101-Q103 WeakPolarHBondContact O-CB 3.47Å; D101-Q103 PolarHBondContact O-N 2.93Å
104A38.4Very low63Low87 Ų8773.2 Ų73.272%0.71944%0.439SS*.  trans49.692.9170.400000116.1S106A104-S106 PolarHBondContact O-N 2.9Å
105L50.4Low64.5Low158 Ų15872.3 Ų72.383%0.82743%0.431SS*.  trans-54.7112151.9-178.374.6000107.8T107L105-T107 PolarHBondContact O-N 2.9Å
106S59.7Low66.3Low26 Ų2668.5 Ų68.518%0.18240%0.4CS..  trans-54.4131.8-178.7156.90000110.5A104 D108 L109A104-S106 PolarHBondContact O-N 2.9Å; S106-D108 PolarHBondContact O-N 2.83Å; S106-D108 VanDerWaalsContact O-N 3.07Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.88Å; S106-L109 PolarHBondContact O-N 2.81Å
107T66.6Low68Low114 Ų11462.6 Ų62.670%0.69938%0.382SS*.THydrogen-bonded Turntrans-59.1-19.1-179.842.90000113.6L67 L105L67-T107 WeakPolarHBondContact CD2-O 3.33Å; L105-T107 PolarHBondContact O-N 2.9Å
108D73.9Confident70Confident30 Ų3062 Ų6216%0.1637%0.369CS..THydrogen-bonded Turntrans-98.73.3-170.8-32.5-53.4000111.3H80 L90 S106 Y112H80-D108 IonicContact CE1-OD1 3.54Å; L90-D108 HydrophobicContact CD1-CB 4.2Å; L90-D108 HydrophobicContact CD2-CB 3.81Å; S106-D108 PolarHBondContact O-N 2.83Å; S106-D108 VanDerWaalsContact O-N 3.07Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.88Å; D108-Y112 WeakPolarHBondContact O-CE2 3.48Å; D108-Y112 PolarHBondContact O-OH 3.23Å
109L79.6Confident72.1Confident34 Ų3464.9 Ų64.918%0.17838%0.375CS..  trans-101.2138.4173.2-58.7-178.2000110.8N68 P94 S106 L130 V132N68-L109 PolarHBondContact ND2-O 3.07Å; P94-L109 HydrophobicContact CG-CD1 3.96Å; P94-L109 HydrophobicContact CG-CD2 3.97Å; P94-L109 HydrophobicContact CG-CG 4.01Å; S106-L109 PolarHBondContact O-N 2.81Å; L109-L130 HydrophobicContact CD2-CG 4.16Å; L109-V132 HydrophobicContact CD1-CG2 3.9Å; L109-V132 HydrophobicContact CD2-CG2 3.87Å
110G84Confident74.3Confident7 Ų765.9 Ų65.97%0.07237%0.372CS..EExtended strand (participates in β ladder)trans151-161.1-174.300000113.7N68 R129 L130N68-G110 VanDerWaalsContact OD1-CA 3.25Å; N68-G110 WeakPolarHBondContact OD1-CA 3.34Å; G110-R129 CarbonylContact O-C 3.58Å; G110-R129 WeakPolarHBondContact O-CA 3.45Å; G110-L130 PolarHBondContact N-O 2.85Å; G110-L130 PolarHBondContact O-N 3.01Å
111V90.9Very high76.6Confident44 Ų4461 Ų6127%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-98112.7178.9-176.90000109.5N68 A128N68-V111 PolarHBondContact N-O 2.99Å; N68-V111 PolarHBondContact OD1-N 2.82Å; V111-A128 CarbonylContact C-O 3.55Å; V111-A128 WeakPolarHBondContact CA-O 3.37Å
112Y92.2Very high79.3Confident1 Ų158.8 Ų58.80%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-87128.8173.5-72.6-101.8000110.1M51 W65 L66 L67 L72 H80 L88 D108 G127 A128 L130M51-Y112 HydrophobicContact CE-CD2 4.14Å; M51-Y112 HydrophobicContact CE-CG 4.27Å; M51-Y112 HydrophobicContact CG-CG 4.3Å; W65-Y112 HydrophobicContact CE3-CD1 4.45Å; L66-Y112 CarbonylContact O-C 3.54Å; L66-Y112 WeakPolarHBondContact O-CA 3.32Å; L67-Y112 HydrophobicContact CB-CE1 4.47Å; L67-Y112 HydrophobicContact CD1-CD1 4.4Å; L67-Y112 HydrophobicContact CD1-CD2 3.73Å; L67-Y112 HydrophobicContact CD1-CE1 4.27Å; L67-Y112 HydrophobicContact CD1-CE2 3.54Å; L67-Y112 HydrophobicContact CD1-CG 4.16Å; L67-Y112 HydrophobicContact CD2-CE1 4.28Å; L67-Y112 HydrophobicContact CD2-CE2 4.34Å; L72-Y112 HydrophobicContact CD1-CD1 4.13Å; L72-Y112 HydrophobicContact CD1-CE1 3.82Å; H80-Y112 AromaticContact NE2-CE1 3.84Å; H80-Y112 AromaticContact NE2-CZ 3.86Å; H80-Y112 PolarHBondContact NE2-OH 3.07Å; L88-Y112 HydrophobicContact CD2-CD1 3.67Å; L88-Y112 HydrophobicContact CD2-CE1 3.61Å; D108-Y112 WeakPolarHBondContact O-CE2 3.48Å; D108-Y112 PolarHBondContact O-OH 3.23Å; Y112-G127 WeakPolarHBondContact O-CA 3.39Å; Y112-A128 PolarHBondContact N-O 3.35Å; Y112-A128 PolarHBondContact O-N 2.99Å; Y112-L130 HydrophobicContact CD2-CB 3.87Å; Y112-L130 HydrophobicContact CE2-CB 3.61Å; Y112-L130 HydrophobicContact CE2-CD2 3.74Å; Y112-L130 HydrophobicContact CE2-CG 4.32Å
113T94.8Very high81.7Confident24 Ų2455.6 Ų55.615%0.14731%0.314CS..EExtended strand (participates in β ladder)trans-119.4142.5167.643.10000110.3W65 L66 V124 G127W65-T113 WeakPolarHBondContact CA-O 3.41Å; L66-T113 PolarHBondContact N-O 2.88Å; L66-T113 PolarHBondContact O-N 3.49Å; T113-V124 HydrophobicContact CG2-CG1 4.36Å; T113-G127 VanDerWaalsContact CG2-CA 3.43Å
114C94.4Very high84.4Confident0 Ų051.1 Ų51.10%030%0.299CS..EExtended strand (participates in β ladder)trans-98.3129.8171.9162.60000108.6C53 W65 V124 S125C53-C114 HydrophobicContact CB-CB 3.41Å; C53-C114 VanDerWaalsContact CB-CB 3.41Å; C53-C114 WeakPolarHBondContact CB-SG 3.33Å; C53-C114 WeakPolarHBondContact SG-CB 3.47Å; C53-C114 CovalentContact SG-SG 2.03Å; C53-C114 PolarHBondContact SG-SG 3.44Å; W65-C114 HydrophobicContact CD2-CB 4.18Å; W65-C114 HydrophobicContact CE3-CB 4.06Å; W65-C114 HydrophobicContact CH2-CB 3.93Å; W65-C114 HydrophobicContact CZ2-CB 4.04Å; W65-C114 HydrophobicContact CZ3-CB 3.93Å; C114-V124 CarbonylContact O-C 3.57Å; C114-V124 WeakPolarHBondContact O-CA 3.07Å; C114-S125 PolarHBondContact N-OG 2.9Å; C114-S125 PolarHBondContact O-N 2.89Å
115E95.1Very high87.1Confident21 Ų2147.4 Ų47.410%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-114.9122.1171.2179.4-176178.800109.4I63 R64 L66 T122 A123 V124I63-E115 WeakPolarHBondContact CA-O 3.23Å; R64-E115 HydrophobicContact CG-CB 4.07Å; R64-E115 HydrophobicContact CG-CG 4.5Å; R64-E115 WeakPolarHBondContact CG-O 3.45Å; R64-E115 IonicContact CZ-OE1 2.95Å; R64-E115 VanDerWaalsContact CZ-OE1 3.24Å; R64-E115 IonicContact CZ-OE2 2.84Å; R64-E115 PolarHBondContact N-O 2.89Å; R64-E115 IonicContact NE-OE1 3.73Å; R64-E115 IonicContact NE-OE2 2.98Å; R64-E115 PolarHBondContact NE-OE2 2.88Å; R64-E115 IonicContact NH1-OE1 3.95Å; R64-E115 IonicContact NH1-OE2 3.92Å; R64-E115 PolarHBondContact NH1-OE2 3.27Å; R64-E115 IonicContact NH2-OE1 3.78Å; R64-E115 PolarHBondContact NH2-OE1 2.87Å; R64-E115 IonicContact NH2-OE2 2.78Å; R64-E115 PolarHBondContact NH2-OE2 3.03Å; R64-E115 PolarHBondContact O-N 3.43Å; L66-E115 HydrophobicContact CD1-CB 3.7Å; E115-T122 WeakPolarHBondContact OE1-CB 3.3Å; E115-T122 WeakPolarHBondContact OE1-CG2 3.45Å; E115-A123 WeakPolarHBondContact CA-O 3.08Å; E115-V124 HydrophobicContact CB-CG2 4.33Å; E115-V124 HydrophobicContact CG-CG2 4.08Å
116A95Very high89.2Confident0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-103.1131.8175.800000109.9P32 I34 A55 P61 T62 I63 T122 A123P32-A116 HydrophobicContact CB-CB 4.09Å; P32-A116 WeakPolarHBondContact CG-O 3.35Å; I34-A116 HydrophobicContact CD1-CB 3.6Å; A55-A116 HydrophobicContact CB-CB 3.41Å; A55-A116 VanDerWaalsContact CB-CB 3.41Å; P61-A116 HydrophobicContact CB-CB 4.17Å; P61-A116 HydrophobicContact CG-CB 4.42Å; T62-A116 CarbonylContact O-C 3.42Å; T62-A116 WeakPolarHBondContact O-CA 3.46Å; I63-A116 HydrophobicContact CG1-CB 4.26Å; A116-T122 CarbonylContact O-C 3.54Å; A116-T122 VanDerWaalsContact O-CA 3.31Å; A116-T122 WeakPolarHBondContact O-CA 3.47Å; A116-A123 PolarHBondContact N-O 2.91Å; A116-A123 PolarHBondContact O-N 2.87Å
117S94.8Very high90.8Very high24 Ų2448.7 Ų48.717%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-134.2135.9-174.262.50000113.2P61 T62P61-S117 CarbonylContact C-O 3.54Å; P61-S117 VanDerWaalsContact CA-O 3.24Å; P61-S117 WeakPolarHBondContact CA-O 3.3Å; T62-S117 PolarHBondContact N-O 3.06Å; T62-S117 PolarHBondContact O-N 2.87Å; T62-S117 PolarHBondContact OG1-O 3.02Å; T62-S117 PolarHBondContact OG1-OG 2.81Å
118N94.9Very high92Very high27 Ų2743.3 Ų43.314%0.14424%0.236CC..EExtended strand (participates in β ladder)trans-137.6-175.6167.379.97.7000110.7S30 P32 P59 P61 L120 G121S30-N118 PolarHBondContact O-ND2 2.93Å; P32-N118 WeakPolarHBondContact CD-OD1 3.16Å; P59-N118 WeakPolarHBondContact O-CB 3.46Å; P59-N118 PolarHBondContact O-ND2 2.86Å; P61-N118 HydrophobicContact CB-CB 4.19Å; N118-L120 PolarHBondContact O-N 2.87Å; N118-L120 WeakPolarHBondContact OD1-CB 3.45Å; N118-L120 PolarHBondContact OD1-N 3.06Å; N118-G121 PolarHBondContact N-O 2.81Å; N118-G121 PolarHBondContact O-N 2.99Å; N118-G121 VanDerWaalsContact O-O 3.13Å
119R94.6Very high92.7Very high177 Ų17747.7 Ų47.767%0.66825%0.25SS*.THydrogen-bonded Turntrans-62.7-6.8-176.973.1-179.1173-156.6-4.1115.7D29 P59D29-R119 IonicContact OD1-CZ 2.94Å; D29-R119 IonicContact OD1-NE 3.85Å; D29-R119 IonicContact OD1-NH2 3.28Å; D29-R119 PolarHBondContact OD1-NH2 3.5Å; D29-R119 IonicContact OD2-CZ 3.85Å; D29-R119 IonicContact OD2-NE 3.04Å; D29-R119 PolarHBondContact OD2-NE 3.04Å; D29-R119 IonicContact OD2-NH2 2.76Å; D29-R119 PolarHBondContact OD2-NH2 3.14Å; P59-R119 HydrophobicContact CG-CG 4.29Å; P59-R119 VanDerWaalsContact CG-CZ 3.46Å
120L93.3Very high93Very high80 Ų8046.3 Ų46.342%0.41924%0.243SC..THydrogen-bonded Turntrans-112.6-8-174.8-52.6170.8000112.9D29 P31 Q58 N118D29-L120 HydrophobicContact CB-CD1 3.73Å; P31-L120 HydrophobicContact CB-CB 4.34Å; Q58-L120 WeakPolarHBondContact O-CD1 3.46Å; N118-L120 PolarHBondContact O-N 2.87Å; N118-L120 WeakPolarHBondContact OD1-CB 3.45Å; N118-L120 PolarHBondContact OD1-N 3.06Å
121G93.3Very high93Very high31 Ų3146.8 Ų46.832%0.3225%0.245SC..EExtended strand (participates in β ladder)trans155.4-171.2177.500000114.2P32 N118P32-G121 WeakPolarHBondContact CD-O 3.42Å; P32-G121 WeakPolarHBondContact CG-O 3.3Å; N118-G121 PolarHBondContact N-O 2.81Å; N118-G121 PolarHBondContact O-N 2.99Å; N118-G121 VanDerWaalsContact O-O 3.13Å
122T95.3Very high92.5Very high85 Ų8545.3 Ų45.352%0.52124%0.236SC..EExtended strand (participates in β ladder)trans-127151.9174.768.10000110.9E115 A116E115-T122 WeakPolarHBondContact OE1-CB 3.3Å; E115-T122 WeakPolarHBondContact OE1-CG2 3.45Å; A116-T122 CarbonylContact O-C 3.54Å; A116-T122 VanDerWaalsContact O-CA 3.31Å; A116-T122 WeakPolarHBondContact O-CA 3.47Å
123A95.1Very high92.1Very high21 Ų2145.4 Ų45.417%0.17424%0.237CC..EExtended strand (participates in β ladder)trans-135.6134.617400000109.5P32 I34 E115 A116P32-A123 HydrophobicContact CB-CB 3.99Å; P32-A123 HydrophobicContact CG-CB 3.97Å; P32-A123 VanDerWaalsContact O-CB 3.32Å; P32-A123 WeakPolarHBondContact O-CB 3.41Å; I34-A123 HydrophobicContact CD1-CB 4.35Å; I34-A123 HydrophobicContact CG1-CB 4.27Å; E115-A123 WeakPolarHBondContact CA-O 3.08Å; A116-A123 PolarHBondContact N-O 2.91Å; A116-A123 PolarHBondContact O-N 2.87Å
124V95.4Very high91.5Very high83 Ų8345.5 Ų45.550%0.50324%0.238SC..EExtended strand (participates in β ladder)trans-110.2138.9-177-171.80000109.5T113 C114 E115T113-V124 HydrophobicContact CG2-CG1 4.36Å; C114-V124 CarbonylContact O-C 3.57Å; C114-V124 WeakPolarHBondContact O-CA 3.07Å; E115-V124 HydrophobicContact CB-CG2 4.33Å; E115-V124 HydrophobicContact CG-CG2 4.08Å
125S95.8Very high91.1Very high9 Ų945.8 Ų45.86%0.06324%0.239CC..PPolyproline II helixtrans-72.5162.9176.478.30000111.7P38 C114 G127P38-S125 WeakPolarHBondContact CD-OG 3.24Å; C114-S125 PolarHBondContact N-OG 2.9Å; C114-S125 PolarHBondContact O-N 2.89Å; S125-G127 PolarHBondContact O-N 2.83Å
126R94.9Very high90.7Very high173 Ų17349.9 Ų49.965%0.65325%0.254SS*.PPolyproline II helixtrans-54.1140.7155.4-59.2-172.4-60.4-150.81.6108.8H37H37-R126 HydrophobicContact CB-CB 4.42Å; H37-R126 PolarHBondContact ND1-N 3.36Å
127G92Very high90.1Very high38 Ų3853.6 Ų53.639%0.39227%0.271SS..PPolyproline II helixtrans-73.9142.8174.200000110.9Y112 T113 S125Y112-G127 WeakPolarHBondContact O-CA 3.39Å; T113-G127 VanDerWaalsContact CG2-CA 3.43Å; S125-G127 PolarHBondContact O-N 2.83Å
128A92.2Very high89.8Confident0 Ų056.7 Ų56.70%029%0.286CS..EExtended strand (participates in β ladder)trans-125.9130178.600000110.4P38 D40 M51 V111 Y112P38-A128 HydrophobicContact CB-CB 3.56Å; P38-A128 HydrophobicContact CG-CB 3.67Å; D40-A128 VanDerWaalsContact OD1-CA 3.29Å; D40-A128 WeakPolarHBondContact OD1-CA 3.43Å; M51-A128 HydrophobicContact CE-CB 3.61Å; V111-A128 CarbonylContact C-O 3.55Å; V111-A128 WeakPolarHBondContact CA-O 3.37Å; Y112-A128 PolarHBondContact N-O 3.35Å; Y112-A128 PolarHBondContact O-N 2.99Å
129R88.8Confident89.7Confident123 Ų12356.4 Ų56.446%0.46428%0.283SS..EExtended strand (participates in β ladder)trans-83.4120.4-178.3-174.2174.4-64.2-79.8-0.8111.1D40 Q41 G110D40-R129 CarbonylContact C-O 3.53Å; D40-R129 WeakPolarHBondContact CA-O 3.44Å; D40-R129 PolarHBondContact OD1-N 3.36Å; Q41-R129 PolarHBondContact N-O 3.08Å; G110-R129 CarbonylContact O-C 3.58Å; G110-R129 WeakPolarHBondContact O-CA 3.45Å
130L86.3Confident89.7Confident4 Ų454.6 Ų54.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-88.1123.4160-176.158.9000108.2Q41 A49 M51 L90 L109 G110 Y112Q41-L130 HydrophobicContact CB-CD1 3.95Å; Q41-L130 HydrophobicContact CG-CD1 4.25Å; A49-L130 HydrophobicContact CB-CD1 3.85Å; A49-L130 HydrophobicContact CB-CD2 4.11Å; M51-L130 HydrophobicContact CE-CB 4.43Å; L90-L130 HydrophobicContact CD2-CD2 3.81Å; L109-L130 HydrophobicContact CD2-CG 4.16Å; G110-L130 PolarHBondContact N-O 2.85Å; G110-L130 PolarHBondContact O-N 3.01Å; Y112-L130 HydrophobicContact CD2-CB 3.87Å; Y112-L130 HydrophobicContact CE2-CB 3.61Å; Y112-L130 HydrophobicContact CE2-CD2 3.74Å; Y112-L130 HydrophobicContact CE2-CG 4.32Å
131S83.5Confident89.7Confident18 Ų1854.5 Ų54.513%0.12628%0.281CS..EExtended strand (participates in β ladder)trans-139.5151.6177.358.30000110.6Q41 L42 F43 H164Q41-S131 PolarHBondContact O-N 3.2Å; L42-S131 CarbonylContact C-O 3.51Å; L42-S131 WeakPolarHBondContact CA-O 3.45Å; F43-S131 PolarHBondContact N-O 3.21Å; S131-H164 WeakPolarHBondContact CB-NE2 3.48Å; S131-H164 PolarHBondContact OG-NE2 2.85Å
132V81Confident89.7Confident13 Ų1357.1 Ų57.18%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-95.5147.4171.7-172.30000108.5P94 L109 V134P94-V132 HydrophobicContact CG-CG2 3.92Å; P94-V132 WeakPolarHBondContact O-CG2 3.46Å; L109-V132 HydrophobicContact CD1-CG2 3.9Å; L109-V132 HydrophobicContact CD2-CG2 3.87Å; V132-V134 PolarHBondContact O-N 2.99Å
133A82.9Confident89.7Confident2 Ų253.1 Ų53.12%0.01726%0.261CS..  trans-67128.616900000110.4L42 F43 Q44 H164 S212 A213L42-A133 HydrophobicContact CD1-CB 4.1Å; L42-A133 HydrophobicContact CG-CB 4.46Å; F43-A133 PolarHBondContact O-N 2.84Å; Q44-A133 HydrophobicContact CG-CB 4.14Å; A133-H164 VanDerWaalsContact CA-O 3.31Å; A133-H164 WeakPolarHBondContact CA-O 3.45Å; A133-S212 WeakPolarHBondContact CB-OG 3.42Å; A133-A213 HydrophobicContact CB-CB 3.86Å; A133-A213 WeakPolarHBondContact O-CB 3.46Å
134V82.6Confident89.7Confident27 Ų2760.1 Ų60.116%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-126.7141.3-179.5177.20000109.6A99 V132 W162 G163 H164 N211A99-V134 HydrophobicContact CB-CG1 4.37Å; V132-V134 PolarHBondContact O-N 2.99Å; V134-W162 HydrophobicContact CB-CZ3 4.27Å; V134-W162 HydrophobicContact CG1-CE3 4.47Å; V134-W162 HydrophobicContact CG1-CZ3 3.85Å; V134-G163 CarbonylContact O-C 3.51Å; V134-G163 WeakPolarHBondContact O-CA 3.4Å; V134-H164 PolarHBondContact N-O 2.97Å; V134-H164 PolarHBondContact O-N 2.91Å; V134-N211 PolarHBondContact O-ND2 3.33Å
135L86.1Confident89.6Confident5 Ų561 Ų613%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-140.4120.2167.4-177.160.1000107.6P161 P167 A213 G214 R216L135-P161 HydrophobicContact CD1-CB 4.12Å; L135-P167 HydrophobicContact CD1-CB 3.91Å; L135-P167 HydrophobicContact CD1-CG 3.86Å; L135-A213 HydrophobicContact CB-CB 4.01Å; L135-G214 WeakPolarHBondContact CD2-O 3.45Å; L135-R216 HydrophobicContact CD2-CB 4.41Å; L135-R216 HydrophobicContact CD2-CG 3.93Å; L135-R216 HydrophobicContact CG-CG 4.11Å
136R86.7Confident89.2Confident107 Ų10763.7 Ų63.740%0.40430%0.297SS..  trans-70.2163.8173.7-76.9-171.863.2172.5-1.7111.1A99 D138 P161 W162A99-R136 HydrophobicContact CB-CG 4.3Å; R136-D138 IonicContact CZ-OD2 3.84Å; R136-D138 IonicContact NE-OD2 3.37Å; R136-D138 PolarHBondContact NE-OD2 2.89Å; R136-D138 IonicContact NH2-OD2 3.74Å; R136-D138 PolarHBondContact NH2-OD2 3.24Å; R136-P161 HydrophobicContact CB-CB 4.19Å; R136-P161 WeakPolarHBondContact O-CB 3.38Å; R136-W162 WeakPolarHBondContact CB-O 3.49Å; R136-W162 HydrophobicContact CG-CE3 4.32Å; R136-W162 PolarHBondContact N-O 2.9Å
137E83.8Confident88.9Confident78 Ų7859.8 Ų59.836%0.36429%0.292SS..SBendtrans-93.7-32.8-176.5-40.6-153.1140.500110.8H98 F139 R216H98-E137 IonicContact CE1-OE1 2.82Å; H98-E137 PolarHBondContact CE1-OE1 2.89Å; H98-E137 IonicContact CG-OE1 2.78Å; H98-E137 IonicContact ND1-OE1 2.72Å; H98-E137 PolarHBondContact ND1-OE1 3.34Å; E137-F139 PolarHBondContact O-N 2.04Å; E137-R216 IonicContact OE1-CZ 2.71Å; E137-R216 IonicContact OE1-NE 3.22Å; E137-R216 IonicContact OE1-NH2 2.68Å; E137-R216 PolarHBondContact OE1-NH2 3.31Å
138D87.8Confident88.8Confident90 Ų9058.2 Ų58.248%0.48128%0.275SS..SBendtrans-71.6117.2176.3-37.6-77.6000112.2R136 P161R136-D138 IonicContact CZ-OD2 3.84Å; R136-D138 IonicContact NE-OD2 3.37Å; R136-D138 PolarHBondContact NE-OD2 2.89Å; R136-D138 IonicContact NH2-OD2 3.74Å; R136-D138 PolarHBondContact NH2-OD2 3.24Å; D138-P161 VanDerWaalsContact O-CA 3.23Å; D138-P161 WeakPolarHBondContact O-CA 3.46Å; D138-P161 VanDerWaalsContact O-CB 3.24Å; D138-P161 WeakPolarHBondContact O-CB 3.4Å
139F93.4Very high88.7Confident20 Ų2060.4 Ų60.49%0.08829%0.289CS..  trans-68.1133.3162.6-83.4-106.9000110.2E137 Q142 P161 C207 A209 R216 E217E137-F139 PolarHBondContact O-N 2.04Å; F139-Q142 HydrophobicContact CB-CG 3.71Å; F139-P161 HydrophobicContact CD1-CG 4.37Å; F139-P161 HydrophobicContact CD2-CG 3.65Å; F139-P161 HydrophobicContact CE1-CG 4.48Å; F139-P161 HydrophobicContact CE2-CG 3.78Å; F139-P161 HydrophobicContact CG-CG 3.96Å; F139-P161 HydrophobicContact CZ-CG 4.21Å; F139-C207 VanDerWaalsContact CE1-SG 3.54Å; F139-A209 HydrophobicContact CE1-CB 4.12Å; F139-A209 HydrophobicContact CZ-CB 4Å; F139-R216 HydrophobicContact CE2-CB 3.89Å; F139-R216 HydrophobicContact CZ-CB 4.44Å; F139-E217 WeakPolarHBondContact CE2-O 3.47Å
140Q92.9Very high88.8Confident139 Ų13957 Ų5765%0.6528%0.282SS*.SBendtrans-65.9-38.1178.5-67.3178.389.700112.1G159 P160Q140-G159 PolarHBondContact N-O 3Å; Q140-P160 WeakPolarHBondContact CG-O 3.41Å; Q140-P160 PolarHBondContact NE2-O 2.8Å
141I93.5Very high88.9Confident78 Ų7858.6 Ų58.640%0.430%0.299SS..BIsolated β-bridgetrans-136.6120.5169.2-54.6174.1000107.3E157 G159I141-E157 HydrophobicContact CG2-CB 4.1Å; I141-G159 PolarHBondContact N-O 3.4Å; I141-G159 VanDerWaalsContact N-O 3.09Å; I141-G159 PolarHBondContact O-N 3.45Å
142Q94.4Very high89.1Confident86 Ų8662.7 Ų62.740%0.40232%0.316SS..  trans-88.9142.8172.3-68.8-171.448.100110.7F139 R219F139-Q142 HydrophobicContact CB-CG 3.71Å; Q142-R219 HydrophobicContact CB-CG 4.38Å; Q142-R219 VanDerWaalsContact OE1-CG 3.25Å
143P95.1Very high89.7Confident1 Ų168.6 Ų68.61%0.00634%0.343CS..  trans-61.6160.417628.4-35.7000111.3E157 W171 S218 R219 A221P143-E157 WeakPolarHBondContact CA-O 3.44Å; P143-E157 WeakPolarHBondContact CB-O 3.49Å; P143-W171 HydrophobicContact CB-CH2 4.01Å; P143-W171 HydrophobicContact CB-CZ3 4.36Å; P143-W171 HydrophobicContact CG-CH2 4.46Å; P143-S218 WeakPolarHBondContact CG-OG 3.42Å; P143-R219 VanDerWaalsContact O-CZ 3.24Å; P143-R219 PolarHBondContact O-NE 2.84Å; P143-R219 PolarHBondContact O-NH2 2.82Å; P143-A221 HydrophobicContact CB-CB 3.76Å; P143-A221 HydrophobicContact CG-CB 4.09Å
144R95.1Very high90.1Very high168 Ų16868.6 Ų68.663%0.63434%0.343SS*.  trans-129.1149.5-175.3-53.2-170.8176.8-168.6-0.1110.6M146 A221R144-M146 WeakPolarHBondContact O-CG 3.31Å; R144-M146 PolarHBondContact O-N 3.44Å; R144-A221 WeakPolarHBondContact O-CB 3.47Å
145D92.2Very high90.7Very high102 Ų10269.9 Ų69.955%0.54535%0.351SS..  trans-58.3133.8171.9-64.80.6000108.9A221 R222D145-A221 WeakPolarHBondContact OD1-CA 3.19Å; D145-R222 CarbonylContact C-O 3.58Å; D145-R222 VanDerWaalsContact CA-O 3.25Å; D145-R222 WeakPolarHBondContact CA-O 3.31Å; D145-R222 HydrophobicContact CB-CB 4.42Å; D145-R222 PolarHBondContact OD1-N 3.06Å
146M87.8Confident91.2Very high66 Ų6669.7 Ų69.733%0.32535%0.349SS..EExtended strand (participates in β ladder)trans-137.1143.3-174.8-72.8-17177.700111.2R144 L154 T155 L156 R222 V223 S224R144-M146 WeakPolarHBondContact O-CG 3.31Å; R144-M146 PolarHBondContact O-N 3.44Å; M146-L154 HydrophobicContact CB-CD1 3.93Å; M146-L154 HydrophobicContact CE-CD1 3.5Å; M146-L154 HydrophobicContact CG-CD1 4.4Å; M146-L154 HydrophobicContact SD-CD1 3.61Å; M146-T155 VanDerWaalsContact SD-O 3.33Å; M146-L156 HydrophobicContact CG-CD2 4.31Å; M146-L156 HydrophobicContact SD-CD2 3.94Å; M146-R222 PolarHBondContact N-O 3.01Å; M146-V223 WeakPolarHBondContact O-CA 3.28Å; M146-S224 PolarHBondContact O-N 2.66Å
147V90Very high91.6Very high90 Ų9069.6 Ų69.655%0.54535%0.353SS..EExtended strand (participates in β ladder)trans-111.1132171-170.40000106.9S224 Q226V147-S224 WeakPolarHBondContact CA-O 3.46Å; V147-Q226 HydrophobicContact CG1-CG 3.76Å
148A89.6Confident92.2Very high5 Ų565.9 Ų65.94%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-138.2151173.700000110.3L154 A197 S224 I225 Q226A148-L154 HydrophobicContact CB-CB 4.44Å; A148-L154 HydrophobicContact CB-CD1 4.34Å; A148-L154 HydrophobicContact CB-CD2 4.39Å; A148-A197 HydrophobicContact CB-CB 4.4Å; A148-S224 PolarHBondContact N-O 2.79Å; A148-S224 VanDerWaalsContact N-O 3.16Å; A148-I225 HydrophobicContact CB-CD1 3.97Å; A148-I225 CarbonylContact O-C 3.56Å; A148-I225 WeakPolarHBondContact O-CA 3.23Å; A148-Q226 PolarHBondContact O-N 2.68Å
149V89.7Confident92.6Very high46 Ų4662.1 Ų62.128%0.27932%0.319SS..EExtended strand (participates in β ladder)trans-87.2146.1175.2-1760000109.8G151 E152 Q226 P228V149-G151 PolarHBondContact O-N 2.95Å; V149-E152 HydrophobicContact CB-CG 3.99Å; V149-E152 WeakPolarHBondContact CB-OE2 3.34Å; V149-E152 PolarHBondContact N-OE2 3.36Å; V149-E152 WeakPolarHBondContact O-CB 3.43Å; V149-E152 PolarHBondContact O-N 3.31Å; V149-Q226 CarbonylContact C-O 3.52Å; V149-Q226 WeakPolarHBondContact CA-O 3.35Å; V149-P228 HydrophobicContact CG1-CB 3.91Å; V149-P228 HydrophobicContact CG1-CG 3.76Å
150V90.4Very high92.7Very high53 Ų5362 Ų6232%0.32132%0.32SS..THydrogen-bonded Turntrans-51.9125.3174.8177.10000110.6A197 K199 I225 Q226V150-A197 CarbonylContact C-O 3.47Å; V150-A197 WeakPolarHBondContact CA-O 3.39Å; V150-K199 HydrophobicContact CG2-CG 4.06Å; V150-I225 HydrophobicContact CG2-CG2 3.63Å; V150-Q226 PolarHBondContact N-O 2.73Å
151G88.4Confident92.7Very high37 Ų3755.4 Ų55.438%0.38129%0.289SS..THydrogen-bonded Turntrans97.2-15.3-178.900000115.3V149 A197V149-G151 PolarHBondContact O-N 2.95Å; G151-A197 PolarHBondContact N-O 2.97Å
152E88.8Confident92.5Very high103 Ų10358.6 Ų58.648%0.48130%0.296SS..SBendtrans-73.6159.3177-66.8-172.8136.600112.9V149 R196 A197V149-E152 HydrophobicContact CB-CG 3.99Å; V149-E152 WeakPolarHBondContact CB-OE2 3.34Å; V149-E152 PolarHBondContact N-OE2 3.36Å; V149-E152 WeakPolarHBondContact O-CB 3.43Å; V149-E152 PolarHBondContact O-N 3.31Å; E152-R196 CarbonylContact O-C 3.55Å; E152-R196 WeakPolarHBondContact O-CA 3.45Å; E152-A197 PolarHBondContact O-N 3.46Å
153Q91.7Very high92.2Very high137 Ų13754.9 Ų54.964%0.6428%0.281SS*.  trans-85.7127.8173.1-173.9-174.3-80.700110.1L193Q153-L193 HydrophobicContact CG-CD1 3.58Å
154L92.3Very high91.6Very high3 Ų359.6 Ų59.62%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-119127.8-176.7173.260.6000110.8M146 A148 M194 V223 I225M146-L154 HydrophobicContact CB-CD1 3.93Å; M146-L154 HydrophobicContact CE-CD1 3.5Å; M146-L154 HydrophobicContact CG-CD1 4.4Å; M146-L154 HydrophobicContact SD-CD1 3.61Å; A148-L154 HydrophobicContact CB-CB 4.44Å; A148-L154 HydrophobicContact CB-CD1 4.34Å; A148-L154 HydrophobicContact CB-CD2 4.39Å; L154-M194 HydrophobicContact CB-CB 4.36Å; L154-M194 HydrophobicContact CD2-CE 3.56Å; L154-M194 HydrophobicContact CG-CE 3.87Å; L154-M194 PolarHBondContact N-O 3Å; L154-M194 PolarHBondContact O-N 3.48Å; L154-V223 HydrophobicContact CD2-CG1 3.64Å; L154-V223 HydrophobicContact CD2-CG2 4.17Å; L154-I225 HydrophobicContact CD2-CD1 4.26Å
155T95.3Very high91.3Very high54 Ų5453.9 Ų53.933%0.33129%0.288SS..EExtended strand (participates in β ladder)trans-120111.3176.7-52.40000110.4M146 L192 L193M146-T155 VanDerWaalsContact SD-O 3.33Å; T155-L192 CarbonylContact C-O 3.6Å; T155-L192 WeakPolarHBondContact CA-O 3.14Å; T155-L193 WeakPolarHBondContact OG1-CD1 3.35Å
156L96.4Very high91.2Very high0 Ų057.2 Ų57.20%030%0.3CS..EExtended strand (participates in β ladder)trans-87.2108.3169.1-69.3173.4000109.4M146 W171 S191 L192 M194 Y205 V223M146-L156 HydrophobicContact CG-CD2 4.31Å; M146-L156 HydrophobicContact SD-CD2 3.94Å; L156-W171 HydrophobicContact CB-CH2 3.53Å; L156-W171 HydrophobicContact CB-CZ2 4.19Å; L156-W171 HydrophobicContact CB-CZ3 3.95Å; L156-W171 HydrophobicContact CD1-CH2 4.38Å; L156-W171 HydrophobicContact CD1-CZ3 3.93Å; L156-W171 WeakPolarHBondContact O-CZ2 3.29Å; L156-S191 CarbonylContact O-C 3.5Å; L156-S191 VanDerWaalsContact O-CA 3.3Å; L156-S191 WeakPolarHBondContact O-CA 3.08Å; L156-S191 WeakPolarHBondContact O-CB 3.08Å; L156-L192 HydrophobicContact CB-CB 4.46Å; L156-L192 HydrophobicContact CD1-CD2 4.44Å; L156-L192 PolarHBondContact N-O 2.82Å; L156-L192 PolarHBondContact O-N 3.41Å; L156-M194 HydrophobicContact CD1-CE 3.83Å; L156-M194 HydrophobicContact CG-CE 4.16Å; L156-Y205 HydrophobicContact CD1-CD1 3.59Å; L156-Y205 HydrophobicContact CD1-CD2 4.27Å; L156-Y205 HydrophobicContact CD1-CE1 4.33Å; L156-Y205 HydrophobicContact CD1-CG 3.54Å; L156-V223 HydrophobicContact CD1-CG2 3.85Å; L156-V223 HydrophobicContact CD2-CG2 3.95Å; L156-V223 HydrophobicContact CG-CG2 4.3Å
157E95.9Very high91.5Very high105 Ų10554.6 Ų54.649%0.49129%0.288SS..  trans-69.8133.7178.4-62.6-171.3148.600111.9I141 P143 S191I141-E157 HydrophobicContact CG2-CB 4.1Å; P143-E157 WeakPolarHBondContact CA-O 3.44Å; P143-E157 WeakPolarHBondContact CB-O 3.49Å; E157-S191 WeakPolarHBondContact CA-OG 3.44Å
158C96.3Very high91.7Very high1 Ų155.4 Ų55.41%0.00729%0.293CS..  trans-146.8112.3168.7177.40000110.6W171 G190 S191 C207C158-W171 HydrophobicContact CB-CH2 3.87Å; C158-W171 HydrophobicContact CB-CZ2 3.4Å; C158-G190 CarbonylContact O-C 3.33Å; C158-G190 VanDerWaalsContact O-C 3.23Å; C158-G190 WeakPolarHBondContact O-CA 3.35Å; C158-S191 PolarHBondContact N-OG 3.22Å; C158-S191 VanDerWaalsContact N-OG 3.15Å; C158-S191 PolarHBondContact O-N 3.49Å; C158-C207 HydrophobicContact CB-CB 3.7Å; C158-C207 WeakPolarHBondContact CB-SG 3.25Å; C158-C207 WeakPolarHBondContact SG-CB 3.41Å; C158-C207 CovalentContact SG-SG 2.03Å; C158-C207 PolarHBondContact SG-SG 2.98Å
159G95.8Very high92Very high11 Ų1156.7 Ų56.711%0.11330%0.3CS..BIsolated β-bridgetrans-97.4106.8170.800000108.2Q140 I141Q140-G159 PolarHBondContact N-O 3Å; I141-G159 PolarHBondContact N-O 3.4Å; I141-G159 VanDerWaalsContact N-O 3.09Å; I141-G159 PolarHBondContact O-N 3.45Å
160P94.6Very high92.2Very high16 Ų1657.1 Ų57.110%0.10431%0.305CS..PPolyproline II helixtrans-62.8162.2-174.825.3-34.6000112.4Q140 P167 V169 A209Q140-P160 WeakPolarHBondContact CG-O 3.41Å; Q140-P160 PolarHBondContact NE2-O 2.8Å; P160-P167 HydrophobicContact CB-CG 4.11Å; P160-V169 HydrophobicContact CB-CG2 3.65Å; P160-V169 HydrophobicContact CG-CG2 3.69Å; P160-A209 HydrophobicContact CB-CB 3.73Å
161P92.8Very high92.6Very high1 Ų155 Ų551%0.00629%0.291CS..PPolyproline II helixtrans-59.2150.3171.2-19.532.4000111.3L135 R136 D138 F139 G163 P167 R216L135-P161 HydrophobicContact CD1-CB 4.12Å; R136-P161 HydrophobicContact CB-CB 4.19Å; R136-P161 WeakPolarHBondContact O-CB 3.38Å; D138-P161 VanDerWaalsContact O-CA 3.23Å; D138-P161 WeakPolarHBondContact O-CA 3.46Å; D138-P161 VanDerWaalsContact O-CB 3.24Å; D138-P161 WeakPolarHBondContact O-CB 3.4Å; F139-P161 HydrophobicContact CD1-CG 4.37Å; F139-P161 HydrophobicContact CD2-CG 3.65Å; F139-P161 HydrophobicContact CE1-CG 4.48Å; F139-P161 HydrophobicContact CE2-CG 3.78Å; F139-P161 HydrophobicContact CG-CG 3.96Å; F139-P161 HydrophobicContact CZ-CG 4.21Å; P161-G163 PolarHBondContact O-N 2.89Å; P161-P167 VanDerWaalsContact O-CG 3.29Å; P161-P167 WeakPolarHBondContact O-CG 3.46Å; P161-R216 HydrophobicContact CG-CB 4.21Å
162W91Very high93Very high146 Ų14656.9 Ų56.955%0.55329%0.287SS*.PPolyproline II helixtrans-64.7135.8170.2-179.289.6000110.3V134 R136 H164V134-W162 HydrophobicContact CB-CZ3 4.27Å; V134-W162 HydrophobicContact CG1-CE3 4.47Å; V134-W162 HydrophobicContact CG1-CZ3 3.85Å; R136-W162 WeakPolarHBondContact CB-O 3.49Å; R136-W162 HydrophobicContact CG-CE3 4.32Å; R136-W162 PolarHBondContact N-O 2.9Å; W162-H164 HydrophobicContact CH2-CB 4.23Å; W162-H164 HydrophobicContact CZ2-CB 4.46Å
163G87.5Confident93.3Very high8 Ų853.6 Ų53.68%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-154.1160.7176.200000112.2V134 P161 P165V134-G163 CarbonylContact O-C 3.51Å; V134-G163 WeakPolarHBondContact O-CA 3.4Å; P161-G163 PolarHBondContact O-N 2.89Å; G163-P165 CarbonylContact C-O 3.57Å; G163-P165 VanDerWaalsContact C-O 3.25Å; G163-P165 CarbonylContact O-C 3.58Å
164H83Confident93.4Very high100 Ų10051.4 Ų51.446%0.46326%0.264SS..EExtended strand (participates in β ladder)trans-129.8118.5172.4178.769.8000109.3S131 A133 V134 W162S131-H164 WeakPolarHBondContact CB-NE2 3.48Å; S131-H164 PolarHBondContact OG-NE2 2.85Å; A133-H164 VanDerWaalsContact CA-O 3.31Å; A133-H164 WeakPolarHBondContact CA-O 3.45Å; V134-H164 PolarHBondContact N-O 2.97Å; V134-H164 PolarHBondContact O-N 2.91Å; W162-H164 HydrophobicContact CH2-CB 4.23Å; W162-H164 HydrophobicContact CZ2-CB 4.46Å
165P88.2Confident93.4Very high48 Ų4854.5 Ų54.531%0.31230%0.297SS..SBendcis-58.4161.6-8.4-22.435.1000112.8L42 G163 N211 S212L42-P165 HydrophobicContact CD2-CG 3.48Å; L42-P165 VanDerWaalsContact CD2-CG 3.48Å; G163-P165 CarbonylContact C-O 3.57Å; G163-P165 VanDerWaalsContact C-O 3.25Å; G163-P165 CarbonylContact O-C 3.58Å; P165-N211 WeakPolarHBondContact O-CB 3.46Å; P165-N211 PolarHBondContact O-ND2 3.2Å; P165-S212 WeakPolarHBondContact CD-OG 3.4Å
166E89.3Confident93.3Very high171 Ų17159.3 Ų59.380%0.79931%0.313SS*.PPolyproline II helixtrans-56.8130.4178-170.9173.6-175.900110.8
167P93.8Very high93.3Very high12 Ų1263.2 Ų63.28%0.07834%0.338CS..PPolyproline II helixtrans-77.7134.4-173.429.4-34.1000113.1L135 P160 P161 A209 A210 N211L135-P167 HydrophobicContact CD1-CB 3.91Å; L135-P167 HydrophobicContact CD1-CG 3.86Å; P160-P167 HydrophobicContact CB-CG 4.11Å; P161-P167 VanDerWaalsContact O-CG 3.29Å; P161-P167 WeakPolarHBondContact O-CG 3.46Å; P167-A209 HydrophobicContact CB-CB 4.25Å; P167-A210 CarbonylContact C-O 3.58Å; P167-A210 VanDerWaalsContact CA-O 3.26Å; P167-A210 WeakPolarHBondContact CA-O 3.36Å; P167-N211 HydrophobicContact CB-CB 4.16Å
168T94.7Very high93.2Very high107 Ų10759.7 Ų59.766%0.65632%0.323SS*.EExtended strand (participates in β ladder)trans-73.9137.8169.653.80000110.2A209 A210T168-A209 WeakPolarHBondContact O-CA 3.35Å; T168-A210 PolarHBondContact N-O 3.01Å; T168-A210 PolarHBondContact O-N 2.81Å; T168-A210 PolarHBondContact OG1-O 2.9Å
169V95.7Very high93Very high31 Ų3165.3 Ų65.319%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-101.2130.6177.7-177.30000110.6P160 C207 A209P160-V169 HydrophobicContact CB-CG2 3.65Å; P160-V169 HydrophobicContact CG-CG2 3.69Å; V169-C207 HydrophobicContact CG1-CB 3.93Å; V169-A209 HydrophobicContact CG2-CB 4.41Å
170S95.4Very high92.8Very high55 Ų5568.6 Ų68.639%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-115.4154.5166.762.80000109.5C207 V208S170-C207 WeakPolarHBondContact O-CA 3.27Å; S170-V208 PolarHBondContact N-O 3.03Å; S170-V208 PolarHBondContact O-N 2.85Å; S170-V208 PolarHBondContact OG-O 3.2Å
171W97.2Very high92.5Very high8 Ų872.2 Ų72.23%0.0339%0.387CS..EExtended strand (participates in β ladder)trans-110.1146175.6-7982.9000110.8P143 L156 C158 L178 G190 L192 Y205 C207P143-W171 HydrophobicContact CB-CH2 4.01Å; P143-W171 HydrophobicContact CB-CZ3 4.36Å; P143-W171 HydrophobicContact CG-CH2 4.46Å; L156-W171 HydrophobicContact CB-CH2 3.53Å; L156-W171 HydrophobicContact CB-CZ2 4.19Å; L156-W171 HydrophobicContact CB-CZ3 3.95Å; L156-W171 HydrophobicContact CD1-CH2 4.38Å; L156-W171 HydrophobicContact CD1-CZ3 3.93Å; L156-W171 WeakPolarHBondContact O-CZ2 3.29Å; C158-W171 HydrophobicContact CB-CH2 3.87Å; C158-W171 HydrophobicContact CB-CZ2 3.4Å; W171-L178 HydrophobicContact CB-CB 4.18Å; W171-L178 HydrophobicContact CB-CD2 4.07Å; W171-L178 WeakPolarHBondContact O-CB 3.26Å; W171-L178 PolarHBondContact O-N 2.66Å; W171-G190 PolarHBondContact NE1-O 2.87Å; W171-L192 HydrophobicContact CB-CD2 4.31Å; W171-L192 HydrophobicContact CD2-CB 3.72Å; W171-L192 HydrophobicContact CD2-CD2 4.02Å; W171-L192 VanDerWaalsContact CE2-CB 3.42Å; W171-L192 HydrophobicContact CE3-CB 4.37Å; W171-L192 HydrophobicContact CE3-CD2 4.22Å; W171-L192 HydrophobicContact CG-CB 3.97Å; W171-L192 HydrophobicContact CG-CD2 4.07Å; W171-L192 HydrophobicContact CH2-CB 4.45Å; W171-L192 HydrophobicContact CZ2-CB 3.81Å; W171-Y205 HydrophobicContact CE3-CD1 4.48Å; W171-C207 HydrophobicContact CD2-CB 3.94Å; W171-C207 HydrophobicContact CE3-CB 4.09Å; W171-C207 HydrophobicContact CH2-CB 4Å; W171-C207 HydrophobicContact CZ2-CB 3.82Å; W171-C207 HydrophobicContact CZ3-CB 4.11Å
172W96.8Very high92.3Very high78 Ų7878.5 Ų78.530%0.29543%0.428SS..EExtended strand (participates in β ladder)trans-124.9144.6177.7-71.763.2000108.7K176 P177 Y205 M206 V208W172-K176 CarbonylContact C-O 3.51Å; W172-K176 WeakPolarHBondContact CA-O 3.22Å; W172-K176 WeakPolarHBondContact CB-O 3.29Å; W172-P177 HydrophobicContact CD2-CB 4.3Å; W172-P177 HydrophobicContact CZ2-CB 4.26Å; W172-Y205 CarbonylContact O-C 3.49Å; W172-Y205 VanDerWaalsContact O-CA 3.31Å; W172-Y205 WeakPolarHBondContact O-CA 3.26Å; W172-M206 HydrophobicContact CB-CB 4.44Å; W172-M206 PolarHBondContact N-O 3.29Å; W172-M206 PolarHBondContact O-N 3.49Å; W172-V208 VanDerWaalsContact CD1-CG2 3.4Å; W172-V208 HydrophobicContact CG-CG2 4.07Å
173K96.2Very high92Very high33 Ų3375.2 Ų75.214%0.14344%0.439CS..EExtended strand (participates in β ladder)trans-129.6128.5175.4172.9173.1-172.8150.70108.8G175 K176 L178 S200 D201 A202 A204 Y205K173-G175 PolarHBondContact O-N 3.47Å; K173-G175 VanDerWaalsContact O-N 3.14Å; K173-K176 PolarHBondContact N-O 3.09Å; K173-K176 PolarHBondContact O-N 3.31Å; K173-K176 VanDerWaalsContact O-O 3.11Å; K173-L178 HydrophobicContact CB-CD1 4.11Å; K173-L178 HydrophobicContact CD-CD1 4.44Å; K173-S200 PolarHBondContact NZ-O 3.02Å; K173-D201 VanDerWaalsContact NZ-CA 3.33Å; K173-D201 PolarHBondContact NZ-O 2.98Å; K173-A202 VanDerWaalsContact CE-O 3.28Å; K173-A202 WeakPolarHBondContact CE-O 3.42Å; K173-A202 PolarHBondContact NZ-O 2.88Å; K173-A204 CarbonylContact C-O 3.55Å; K173-A204 WeakPolarHBondContact CA-O 3.41Å; K173-Y205 HydrophobicContact CB-CE1 4.39Å; K173-Y205 HydrophobicContact CD-CE1 4.31Å; K173-Y205 HydrophobicContact CD-CE2 3.95Å; K173-Y205 WeakPolarHBondContact CD-OH 3.39Å; K173-Y205 HydrophobicContact CG-CE2 4.18Å; K173-Y205 PolarHBondContact NZ-OH 2.74Å; K173-Y205 VanDerWaalsContact NZ-OH 3.1Å
174D94.2Very high92Very high92 Ų9276.5 Ų76.549%0.49244%0.441SS..THydrogen-bonded Turntrans48.843.8173.6-56.4-50.9000113.1K176 G203 A204D174-K176 PolarHBondContact O-N 3.12Å; D174-G203 WeakPolarHBondContact OD1-CA 3.29Å; D174-A204 PolarHBondContact N-O 3.49Å; D174-A204 PolarHBondContact OD1-N 3.09Å
175G91.1Very high92.5Very high68 Ų6872.3 Ų72.370%0.70142%0.422SS*.THydrogen-bonded Turntrans77.69.6179.700000115.9K173K173-G175 PolarHBondContact O-N 3.47Å; K173-G175 VanDerWaalsContact O-N 3.14Å
176K94.4Very high92.8Very high154 Ų15473.5 Ų73.567%0.6743%0.428SS*.EExtended strand (participates in β ladder)trans-126149.5179.6-64.1174.1-175.2171.40111.3W172 K173 D174 L178W172-K176 CarbonylContact C-O 3.51Å; W172-K176 WeakPolarHBondContact CA-O 3.22Å; W172-K176 WeakPolarHBondContact CB-O 3.29Å; K173-K176 PolarHBondContact N-O 3.09Å; K173-K176 PolarHBondContact O-N 3.31Å; K173-K176 VanDerWaalsContact O-O 3.11Å; D174-K176 PolarHBondContact O-N 3.12Å; K176-L178 PolarHBondContact O-N 2.8Å
177P94.5Very high92.9Very high83 Ų8367.8 Ų67.854%0.53941%0.405SS..EExtended strand (participates in β ladder)trans-63.7131.8174.327.1-34.2000110.4W172 V179W172-P177 HydrophobicContact CD2-CB 4.3Å; W172-P177 HydrophobicContact CZ2-CB 4.26Å; P177-V179 PolarHBondContact O-N 2.79Å
178L94.4Very high92.7Very high31 Ų3171.4 Ų71.416%0.16243%0.431CS..  trans-75.3118.7-177.4-179.667.4000110.4W171 K173 K176 L180 L192 Y205W171-L178 HydrophobicContact CB-CB 4.18Å; W171-L178 HydrophobicContact CB-CD2 4.07Å; W171-L178 WeakPolarHBondContact O-CB 3.26Å; W171-L178 PolarHBondContact O-N 2.66Å; K173-L178 HydrophobicContact CB-CD1 4.11Å; K173-L178 HydrophobicContact CD-CD1 4.44Å; K176-L178 PolarHBondContact O-N 2.8Å; L178-L180 HydrophobicContact CD2-CD2 4.2Å; L178-L180 HydrophobicContact CG-CD2 4.47Å; L178-L180 PolarHBondContact O-N 2.75Å; L178-L192 HydrophobicContact CD2-CD1 4.28Å; L178-L192 HydrophobicContact CD2-CD2 3.43Å; L178-L192 VanDerWaalsContact CD2-CD2 3.43Å; L178-Y205 HydrophobicContact CD2-CD1 4.49Å; L178-Y205 HydrophobicContact CD2-CE1 4.08Å
179V91.9Very high92.3Very high119 Ų11969.8 Ų69.872%0.72144%0.435SS*.  trans-72.2112.2170.5-177.10000108.8P177 Q181 H185P177-V179 PolarHBondContact O-N 2.79Å; V179-Q181 PolarHBondContact O-N 3.46Å; V179-H185 PolarHBondContact O-ND1 3.08Å
180L91.6Very high92.1Very high80 Ų8068.7 Ų68.742%0.41943%0.43SS..PPolyproline II helixtrans-71.7119176.6-58.6179.3000109.6L178 H185 V187 L192L178-L180 HydrophobicContact CD2-CD2 4.2Å; L178-L180 HydrophobicContact CG-CD2 4.47Å; L178-L180 PolarHBondContact O-N 2.75Å; L180-H185 HydrophobicContact CB-CB 4.2Å; L180-H185 HydrophobicContact CD2-CB 3.91Å; L180-V187 HydrophobicContact CD1-CG2 3.82Å; L180-V187 HydrophobicContact CD2-CG2 3.88Å; L180-L192 HydrophobicContact CD2-CD1 4.05Å
181Q89.9Confident92.1Very high92 Ų9267.5 Ų67.543%0.4342%0.422SS..PPolyproline II helixtrans-88.2118.3177.3-66.5-178.42000109.3V179 G183 R184 H185V179-Q181 PolarHBondContact O-N 3.46Å; Q181-G183 PolarHBondContact O-N 3.14Å; Q181-R184 HydrophobicContact CB-CB 4.06Å; Q181-R184 PolarHBondContact O-N 3.18Å; Q181-R184 VanDerWaalsContact O-N 3.09Å; Q181-H185 PolarHBondContact N-ND1 2.97Å; Q181-H185 PolarHBondContact O-N 2.84Å
182P87.8Confident92Very high133 Ų13367.1 Ų67.186%0.86442%0.42SS*.THydrogen-bonded Turntrans-55132.8-178.3-27.235.6000112.6R184P182-R184 PolarHBondContact O-N 3.49Å
183G83.8Confident92Very high76 Ų7665.9 Ų65.978%0.78442%0.419SS*.THydrogen-bonded Turntrans79.2-17.7-178.600000115.7Q181Q181-G183 PolarHBondContact O-N 3.14Å
184R88.8Confident91.9Very high35 Ų3564.3 Ų64.313%0.13241%0.412CS..THydrogen-bonded Turntrans-100.6-45.4172.7-177.3-162.1177.3135.10.7111.9Q181 P182 M194 A195 E198 S200 D201Q181-R184 HydrophobicContact CB-CB 4.06Å; Q181-R184 PolarHBondContact O-N 3.18Å; Q181-R184 VanDerWaalsContact O-N 3.09Å; P182-R184 PolarHBondContact O-N 3.49Å; R184-M194 WeakPolarHBondContact O-CA 3.1Å; R184-A195 PolarHBondContact O-N 3.39Å; R184-E198 VanDerWaalsContact CZ-CD 3.41Å; R184-E198 IonicContact CZ-OE1 3.76Å; R184-E198 IonicContact CZ-OE2 3.47Å; R184-E198 IonicContact NH1-OE1 3.42Å; R184-E198 PolarHBondContact NH1-OE1 3.33Å; R184-E198 IonicContact NH1-OE2 3.99Å; R184-E198 PolarHBondContact NH1-OE2 3.04Å; R184-E198 IonicContact NH2-OE1 2.74Å; R184-E198 IonicContact NH2-OE2 3.44Å; R184-E198 PolarHBondContact NH2-OE2 3.45Å; R184-S200 PolarHBondContact NH2-OG 3.26Å; R184-D201 IonicContact CZ-OD1 2.68Å; R184-D201 IonicContact CZ-OD2 2.79Å; R184-D201 IonicContact NE-OD1 2.77Å; R184-D201 IonicContact NE-OD2 3.96Å; R184-D201 IonicContact NH2-OD1 3.27Å; R184-D201 PolarHBondContact NH2-OD1 2.98Å; R184-D201 IonicContact NH2-OD2 2.73Å; R184-D201 PolarHBondContact NH2-OD2 2.93Å
185H93.9Very high91.8Very high12 Ų1261.9 Ų61.96%0.05641%0.405CS..EExtended strand (participates in β ladder)trans-111.3126.9-177.9-58.1163.8000110.7V179 L180 Q181 L192 L193V179-H185 PolarHBondContact O-ND1 3.08Å; L180-H185 HydrophobicContact CB-CB 4.2Å; L180-H185 HydrophobicContact CD2-CB 3.91Å; Q181-H185 PolarHBondContact N-ND1 2.97Å; Q181-H185 PolarHBondContact O-N 2.84Å; H185-L192 HydrophobicContact CB-CD1 4.29Å; H185-L193 WeakPolarHBondContact CA-O 3.46Å
186T92.7Very high91.8Very high73 Ų7366.9 Ų66.945%0.44840%0.403SS..EExtended strand (participates in β ladder)trans-131.5130.4175.5-61.20000109L193T186-L193 PolarHBondContact N-O 2.92Å; T186-L193 WeakPolarHBondContact O-CB 3.37Å; T186-L193 PolarHBondContact O-N 3.16Å
187V92.9Very high91.7Very high51 Ų5159.6 Ų59.631%0.30937%0.371SS..EExtended strand (participates in β ladder)trans-105.1126.3172.1179.20000108.8L180 S191 L192L180-V187 HydrophobicContact CD1-CG2 3.82Å; L180-V187 HydrophobicContact CD2-CG2 3.88Å; V187-S191 VanDerWaalsContact CA-O 3.32Å; V187-S191 WeakPolarHBondContact CA-O 3.44Å; V187-L192 HydrophobicContact CG2-CD1 4.02Å
188S89.4Confident91.6Very high89 Ų8959.7 Ų59.762%0.62237%0.365SS*.EExtended strand (participates in β ladder)trans-143.9128.3-178.1-172.50000110.6G190 S191S188-G190 PolarHBondContact O-N 3.41Å; S188-G190 VanDerWaalsContact O-N 3.07Å; S188-S191 PolarHBondContact N-O 3.27Å; S188-S191 PolarHBondContact O-N 3.06Å
189G85.9Confident91.4Very high73 Ų7364.1 Ų64.175%0.75338%0.382SS*.THydrogen-bonded Turntrans62.311-175.400000115.1
190G91.5Very high91.4Very high7 Ų762 Ų627%0.07237%0.373CS..THydrogen-bonded Turntrans100.6-28.6-170.200000113.8C158 W171 S188C158-G190 CarbonylContact O-C 3.33Å; C158-G190 VanDerWaalsContact O-C 3.23Å; C158-G190 WeakPolarHBondContact O-CA 3.35Å; W171-G190 PolarHBondContact NE1-O 2.87Å; S188-G190 PolarHBondContact O-N 3.41Å; S188-G190 VanDerWaalsContact O-N 3.07Å
191S94.9Very high91.4Very high31 Ų3158.5 Ų58.522%0.21735%0.354CS..EExtended strand (participates in β ladder)trans-69.9142.7178.1-56.80000112.8L156 E157 C158 V187 S188L156-S191 CarbonylContact O-C 3.5Å; L156-S191 VanDerWaalsContact O-CA 3.3Å; L156-S191 WeakPolarHBondContact O-CA 3.08Å; L156-S191 WeakPolarHBondContact O-CB 3.08Å; E157-S191 WeakPolarHBondContact CA-OG 3.44Å; C158-S191 PolarHBondContact N-OG 3.22Å; C158-S191 VanDerWaalsContact N-OG 3.15Å; C158-S191 PolarHBondContact O-N 3.49Å; V187-S191 VanDerWaalsContact CA-O 3.32Å; V187-S191 WeakPolarHBondContact CA-O 3.44Å; S188-S191 PolarHBondContact N-O 3.27Å; S188-S191 PolarHBondContact O-N 3.06Å
192L96.1Very high91.6Very high0 Ų056.1 Ų56.10%035%0.351CS..EExtended strand (participates in β ladder)trans-98.7117.9175.2170.364.6000110.5T155 L156 W171 L178 L180 H185 V187 M194 Y205T155-L192 CarbonylContact C-O 3.6Å; T155-L192 WeakPolarHBondContact CA-O 3.14Å; L156-L192 HydrophobicContact CB-CB 4.46Å; L156-L192 HydrophobicContact CD1-CD2 4.44Å; L156-L192 PolarHBondContact N-O 2.82Å; L156-L192 PolarHBondContact O-N 3.41Å; W171-L192 HydrophobicContact CB-CD2 4.31Å; W171-L192 HydrophobicContact CD2-CB 3.72Å; W171-L192 HydrophobicContact CD2-CD2 4.02Å; W171-L192 VanDerWaalsContact CE2-CB 3.42Å; W171-L192 HydrophobicContact CE3-CB 4.37Å; W171-L192 HydrophobicContact CE3-CD2 4.22Å; W171-L192 HydrophobicContact CG-CB 3.97Å; W171-L192 HydrophobicContact CG-CD2 4.07Å; W171-L192 HydrophobicContact CH2-CB 4.45Å; W171-L192 HydrophobicContact CZ2-CB 3.81Å; L178-L192 HydrophobicContact CD2-CD1 4.28Å; L178-L192 HydrophobicContact CD2-CD2 3.43Å; L178-L192 VanDerWaalsContact CD2-CD2 3.43Å; L180-L192 HydrophobicContact CD2-CD1 4.05Å; H185-L192 HydrophobicContact CB-CD1 4.29Å; V187-L192 HydrophobicContact CG2-CD1 4.02Å; L192-M194 HydrophobicContact CD2-CE 4.09Å; L192-M194 HydrophobicContact CD2-SD 4.46Å; L192-M194 HydrophobicContact CG-CE 4.39Å; L192-M194 HydrophobicContact CG-CG 4.31Å; L192-Y205 HydrophobicContact CD2-CD1 3.92Å; L192-Y205 HydrophobicContact CD2-CE1 3.96Å
193L95.1Very high91.9Very high51 Ų5150.3 Ų50.327%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-96126.4169.8176.766.2000110Q153 T155 H185 T186Q153-L193 HydrophobicContact CG-CD1 3.58Å; T155-L193 WeakPolarHBondContact OG1-CD1 3.35Å; H185-L193 WeakPolarHBondContact CA-O 3.46Å; T186-L193 PolarHBondContact N-O 2.92Å; T186-L193 WeakPolarHBondContact O-CB 3.37Å; T186-L193 PolarHBondContact O-N 3.16Å
194M94.9Very high92.5Very high0 Ų048.2 Ų48.20%029%0.29CS..EExtended strand (participates in β ladder)trans-110.6112.1168.7-69.5174.7-86.300108L154 L156 R184 L192 R196 D201 Y205L154-M194 HydrophobicContact CB-CB 4.36Å; L154-M194 HydrophobicContact CD2-CE 3.56Å; L154-M194 HydrophobicContact CG-CE 3.87Å; L154-M194 PolarHBondContact N-O 3Å; L154-M194 PolarHBondContact O-N 3.48Å; L156-M194 HydrophobicContact CD1-CE 3.83Å; L156-M194 HydrophobicContact CG-CE 4.16Å; R184-M194 WeakPolarHBondContact O-CA 3.1Å; L192-M194 HydrophobicContact CD2-CE 4.09Å; L192-M194 HydrophobicContact CD2-SD 4.46Å; L192-M194 HydrophobicContact CG-CE 4.39Å; L192-M194 HydrophobicContact CG-CG 4.31Å; M194-R196 VanDerWaalsContact C-N 3.3Å; M194-R196 PolarHBondContact O-N 2.73Å; M194-D201 HydrophobicContact SD-CB 4.36Å; M194-Y205 HydrophobicContact CE-CE1 4.02Å; M194-Y205 HydrophobicContact SD-CE1 4.08Å
195A91.4Very high92.9Very high41 Ų4146.5 Ų46.534%0.33928%0.284SS..SBendtrans-68.2-27.2-16900000114.1R184R184-A195 PolarHBondContact O-N 3.39Å
196R91.1Very high93Very high173 Ų17347.8 Ų47.865%0.65329%0.29SS*.SBendtrans-147.2128.1171.9-60.8-177.9-174.4-79.71.9107.7E152 M194E152-R196 CarbonylContact O-C 3.55Å; E152-R196 WeakPolarHBondContact O-CA 3.45Å; M194-R196 VanDerWaalsContact C-N 3.3Å; M194-R196 PolarHBondContact O-N 2.73Å
197A92.3Very high93.2Very high1 Ų144.3 Ų44.31%0.00827%0.269CS..  trans-82.7134.3175.700000111.5A148 V150 G151 E152 I225A148-A197 HydrophobicContact CB-CB 4.4Å; V150-A197 CarbonylContact C-O 3.47Å; V150-A197 WeakPolarHBondContact CA-O 3.39Å; G151-A197 PolarHBondContact N-O 2.97Å; E152-A197 PolarHBondContact O-N 3.46Å; A197-I225 HydrophobicContact CB-CD1 3.83Å
198E92.4Very high93.3Very high86 Ų8642.3 Ų42.340%0.40226%0.257SS..  trans-117.9164.2172.7-66.8170.9-171.500110.6R184 S200 D201 I225R184-E198 VanDerWaalsContact CZ-CD 3.41Å; R184-E198 IonicContact CZ-OE1 3.76Å; R184-E198 IonicContact CZ-OE2 3.47Å; R184-E198 IonicContact NH1-OE1 3.42Å; R184-E198 PolarHBondContact NH1-OE1 3.33Å; R184-E198 IonicContact NH1-OE2 3.99Å; R184-E198 PolarHBondContact NH1-OE2 3.04Å; R184-E198 IonicContact NH2-OE1 2.74Å; R184-E198 IonicContact NH2-OE2 3.44Å; R184-E198 PolarHBondContact NH2-OE2 3.45Å; E198-S200 VanDerWaalsContact CB-OG 3.31Å; E198-S200 WeakPolarHBondContact CB-OG 3.19Å; E198-S200 PolarHBondContact O-N 2.72Å; E198-S200 PolarHBondContact OE2-OG 2.93Å; E198-S200 VanDerWaalsContact OE2-OG 3.05Å; E198-D201 PolarHBondContact N-OD2 3.4Å; E198-D201 WeakPolarHBondContact O-CB 3.26Å; E198-D201 PolarHBondContact O-N 3.3Å; E198-I225 WeakPolarHBondContact O-CG1 3.29Å
199K91.1Very high93.7Very high123 Ų12338.1 Ų38.154%0.53523%0.227SC..G310 helixtrans-55.2-29.5176.2-55.2-172.2-169-170.40112.9V150 D201 A202 E227V150-K199 HydrophobicContact CG2-CG 4.06Å; K199-D201 PolarHBondContact O-N 3.41Å; K199-A202 PolarHBondContact O-N 2.82Å; K199-E227 WeakPolarHBondContact CE-OE1 3.31Å; K199-E227 VanDerWaalsContact CE-OE2 3.23Å; K199-E227 WeakPolarHBondContact CE-OE2 3.31Å; K199-E227 IonicContact NZ-OE1 2.72Å; K199-E227 PolarHBondContact NZ-OE1 2.68Å; K199-E227 IonicContact NZ-OE2 3.59Å; K199-E227 PolarHBondContact NZ-OE2 3.28Å
200S91.8Very high94Very high74 Ų7436.1 Ų36.152%0.51720%0.204SC..G310 helixtrans-66.8-15.3174.549.40000114.3K173 R184 E198K173-S200 PolarHBondContact NZ-O 3.02Å; R184-S200 PolarHBondContact NH2-OG 3.26Å; E198-S200 VanDerWaalsContact CB-OG 3.31Å; E198-S200 WeakPolarHBondContact CB-OG 3.19Å; E198-S200 PolarHBondContact O-N 2.72Å; E198-S200 PolarHBondContact OE2-OG 2.93Å; E198-S200 VanDerWaalsContact OE2-OG 3.05Å
201D92.4Very high94Very high7 Ų737.1 Ų37.14%0.03721%0.208CC..G310 helixtrans-86.5-9.1177.4-62.5-45.3000113.3K173 R184 M194 E198 K199 G203 Y205 V223 I225K173-D201 VanDerWaalsContact NZ-CA 3.33Å; K173-D201 PolarHBondContact NZ-O 2.98Å; R184-D201 IonicContact CZ-OD1 2.68Å; R184-D201 IonicContact CZ-OD2 2.79Å; R184-D201 IonicContact NE-OD1 2.77Å; R184-D201 IonicContact NE-OD2 3.96Å; R184-D201 IonicContact NH2-OD1 3.27Å; R184-D201 PolarHBondContact NH2-OD1 2.98Å; R184-D201 IonicContact NH2-OD2 2.73Å; R184-D201 PolarHBondContact NH2-OD2 2.93Å; M194-D201 HydrophobicContact SD-CB 4.36Å; E198-D201 PolarHBondContact N-OD2 3.4Å; E198-D201 WeakPolarHBondContact O-CB 3.26Å; E198-D201 PolarHBondContact O-N 3.3Å; K199-D201 PolarHBondContact O-N 3.41Å; D201-G203 PolarHBondContact O-N 2.97Å; D201-Y205 WeakPolarHBondContact O-CE2 3.42Å; D201-Y205 PolarHBondContact O-OH 3Å; D201-V223 WeakPolarHBondContact O-CG1 3.43Å; D201-I225 HydrophobicContact CB-CG1 4.17Å
202A94Very high93.6Very high42 Ų4237.6 Ų37.635%0.34721%0.211SC..  trans-61.4138.2169.100000111.1K173 K199 V223 I225K173-A202 VanDerWaalsContact CE-O 3.28Å; K173-A202 WeakPolarHBondContact CE-O 3.42Å; K173-A202 PolarHBondContact NZ-O 2.88Å; K199-A202 PolarHBondContact O-N 2.82Å; A202-V223 WeakPolarHBondContact CA-O 3.3Å; A202-I225 HydrophobicContact CB-CB 4.44Å; A202-I225 HydrophobicContact CB-CG1 4.27Å
203G94.5Very high93Very high12 Ų1238.7 Ų38.712%0.12422%0.22CC..EExtended strand (participates in β ladder)trans157.8-178.2-177.400000114D174 D201 V223D174-G203 WeakPolarHBondContact OD1-CA 3.29Å; D201-G203 PolarHBondContact O-N 2.97Å; G203-V223 PolarHBondContact N-O 2.66Å; G203-V223 PolarHBondContact O-N 2.96Å
204A96.4Very high92.6Very high31 Ų3137.6 Ų37.626%0.25622%0.221SC..EExtended strand (participates in β ladder)trans-98.4116174.100000110.6K173 D174K173-A204 CarbonylContact C-O 3.55Å; K173-A204 WeakPolarHBondContact CA-O 3.41Å; D174-A204 PolarHBondContact N-O 3.49Å; D174-A204 PolarHBondContact OD1-N 3.09Å
205Y96.8Very high92.5Very high0 Ų043 Ų430%025%0.246CC..EExtended strand (participates in β ladder)trans-105141.5-177.5-73.7-112.4000111.1L156 W171 W172 K173 L178 L192 M194 D201 A220 A221 V223L156-Y205 HydrophobicContact CD1-CD1 3.59Å; L156-Y205 HydrophobicContact CD1-CD2 4.27Å; L156-Y205 HydrophobicContact CD1-CE1 4.33Å; L156-Y205 HydrophobicContact CD1-CG 3.54Å; W171-Y205 HydrophobicContact CE3-CD1 4.48Å; W172-Y205 CarbonylContact O-C 3.49Å; W172-Y205 VanDerWaalsContact O-CA 3.31Å; W172-Y205 WeakPolarHBondContact O-CA 3.26Å; K173-Y205 HydrophobicContact CB-CE1 4.39Å; K173-Y205 HydrophobicContact CD-CE1 4.31Å; K173-Y205 HydrophobicContact CD-CE2 3.95Å; K173-Y205 WeakPolarHBondContact CD-OH 3.39Å; K173-Y205 HydrophobicContact CG-CE2 4.18Å; K173-Y205 PolarHBondContact NZ-OH 2.74Å; K173-Y205 VanDerWaalsContact NZ-OH 3.1Å; L178-Y205 HydrophobicContact CD2-CD1 4.49Å; L178-Y205 HydrophobicContact CD2-CE1 4.08Å; L192-Y205 HydrophobicContact CD2-CD1 3.92Å; L192-Y205 HydrophobicContact CD2-CE1 3.96Å; M194-Y205 HydrophobicContact CE-CE1 4.02Å; M194-Y205 HydrophobicContact SD-CE1 4.08Å; D201-Y205 WeakPolarHBondContact O-CE2 3.42Å; D201-Y205 PolarHBondContact O-OH 3Å; Y205-A220 CarbonylContact O-C 3.59Å; Y205-A220 WeakPolarHBondContact O-CA 3.24Å; Y205-A221 PolarHBondContact N-O 3.26Å; Y205-A221 PolarHBondContact O-N 2.9Å; Y205-V223 HydrophobicContact CD2-CB 3.99Å; Y205-V223 HydrophobicContact CD2-CG2 3.58Å; Y205-V223 HydrophobicContact CE2-CB 3.91Å; Y205-V223 HydrophobicContact CE2-CG2 3.83Å; Y205-V223 HydrophobicContact CG-CG2 4.24Å
206M96.5Very high92.6Very high38 Ų3843.5 Ų43.519%0.18724%0.239CC..EExtended strand (participates in β ladder)trans-141.6136.5-179.5-171.7169.377.700109.3W172 V208 E217 S218W172-M206 HydrophobicContact CB-CB 4.44Å; W172-M206 PolarHBondContact N-O 3.29Å; W172-M206 PolarHBondContact O-N 3.49Å; M206-V208 HydrophobicContact CE-CG2 4.06Å; M206-E217 HydrophobicContact CE-CB 3.93Å; M206-E217 HydrophobicContact CE-CG 4.17Å; M206-E217 WeakPolarHBondContact CE-OE2 3.33Å; M206-E217 HydrophobicContact SD-CB 3.98Å; M206-S218 WeakPolarHBondContact CG-O 3.36Å; M206-S218 VanDerWaalsContact SD-O 3.36Å
207C95.7Very high92.8Very high0 Ų040.2 Ų40.20%023%0.231CC..EExtended strand (participates in β ladder)trans-98.2134.7172.159.60000110.2F139 C158 V169 S170 W171 S218F139-C207 VanDerWaalsContact CE1-SG 3.54Å; C158-C207 HydrophobicContact CB-CB 3.7Å; C158-C207 WeakPolarHBondContact CB-SG 3.25Å; C158-C207 WeakPolarHBondContact SG-CB 3.41Å; C158-C207 CovalentContact SG-SG 2.03Å; C158-C207 PolarHBondContact SG-SG 2.98Å; V169-C207 HydrophobicContact CG1-CB 3.93Å; S170-C207 WeakPolarHBondContact O-CA 3.27Å; W171-C207 HydrophobicContact CD2-CB 3.94Å; W171-C207 HydrophobicContact CE3-CB 4.09Å; W171-C207 HydrophobicContact CH2-CB 4Å; W171-C207 HydrophobicContact CZ2-CB 3.82Å; W171-C207 HydrophobicContact CZ3-CB 4.11Å; C207-S218 PolarHBondContact N-OG 2.82Å; C207-S218 PolarHBondContact O-N 3.15Å; C207-S218 PolarHBondContact O-OG 2.93Å; C207-S218 WeakPolarHBondContact SG-CB 3.49Å; C207-S218 PolarHBondContact SG-OG 2.79Å
208V95.9Very high92.9Very high10 Ų1040.6 Ų40.66%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-117.9112.3-179179.50000107.9S170 W172 M206 H215 R216 E217S170-V208 PolarHBondContact N-O 3.03Å; S170-V208 PolarHBondContact O-N 2.85Å; S170-V208 PolarHBondContact OG-O 3.2Å; W172-V208 VanDerWaalsContact CD1-CG2 3.4Å; W172-V208 HydrophobicContact CG-CG2 4.07Å; M206-V208 HydrophobicContact CE-CG2 4.06Å; V208-H215 HydrophobicContact CG1-CB 4.24Å; V208-R216 CarbonylContact C-O 3.44Å; V208-R216 WeakPolarHBondContact CA-O 3.41Å; V208-E217 HydrophobicContact CG1-CG 4.38Å; V208-E217 HydrophobicContact CG2-CB 4.35Å; V208-E217 HydrophobicContact CG2-CG 4.05Å
209A96.4Very high93Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-97.2126.9-179.700000109.3F139 P160 P167 T168 V169 H215 R216F139-A209 HydrophobicContact CE1-CB 4.12Å; F139-A209 HydrophobicContact CZ-CB 4Å; P160-A209 HydrophobicContact CB-CB 3.73Å; P167-A209 HydrophobicContact CB-CB 4.25Å; T168-A209 WeakPolarHBondContact O-CA 3.35Å; V169-A209 HydrophobicContact CG2-CB 4.41Å; A209-H215 CarbonylContact O-C 3.28Å; A209-H215 VanDerWaalsContact O-CA 3.28Å; A209-H215 WeakPolarHBondContact O-CA 3.45Å; A209-R216 PolarHBondContact N-O 3Å; A209-R216 PolarHBondContact O-N 2.97Å
210A93.4Very high93.1Very high32 Ų3239 Ų3926%0.26423%0.233SC..EExtended strand (participates in β ladder)trans-135.6139.7-174.500000112.8P167 T168 G214 H215P167-A210 CarbonylContact C-O 3.58Å; P167-A210 VanDerWaalsContact CA-O 3.26Å; P167-A210 WeakPolarHBondContact CA-O 3.36Å; T168-A210 PolarHBondContact N-O 3.01Å; T168-A210 PolarHBondContact O-N 2.81Å; T168-A210 PolarHBondContact OG1-O 2.9Å; A210-G214 WeakPolarHBondContact CA-O 3.37Å; A210-H215 HydrophobicContact CB-CB 4.06Å
211N91.8Very high93.3Very high27 Ų2735.4 Ų35.414%0.14421%0.208CC..EExtended strand (participates in β ladder)trans-142.2-169.7167.273.26.9000110.1V134 P165 P167 A213 G214V134-N211 PolarHBondContact O-ND2 3.33Å; P165-N211 WeakPolarHBondContact O-CB 3.46Å; P165-N211 PolarHBondContact O-ND2 3.2Å; P167-N211 HydrophobicContact CB-CB 4.16Å; N211-A213 PolarHBondContact O-N 3.13Å; N211-A213 WeakPolarHBondContact OD1-CA 3.4Å; N211-A213 WeakPolarHBondContact OD1-CB 3.25Å; N211-A213 PolarHBondContact OD1-N 3.33Å; N211-G214 PolarHBondContact N-O 2.71Å; N211-G214 PolarHBondContact O-N 3.46Å; N211-G214 VanDerWaalsContact O-N 3.16Å
212S85.3Confident93.4Very high42 Ų4242.6 Ų42.629%0.29424%0.235SC..THydrogen-bonded Turntrans-71.7-2.5-179.460.20000115.7Q44 A133 P165Q44-S212 VanDerWaalsContact NE2-CB 3.3Å; Q44-S212 PolarHBondContact NE2-OG 3.48Å; A133-S212 WeakPolarHBondContact CB-OG 3.42Å; P165-S212 WeakPolarHBondContact CD-OG 3.4Å
213A83.4Confident93.5Very high22 Ų2240.7 Ų40.718%0.18222%0.219CC..THydrogen-bonded Turntrans-86.5-27.8169.900000112A133 L135 N211A133-A213 HydrophobicContact CB-CB 3.86Å; A133-A213 WeakPolarHBondContact O-CB 3.46Å; L135-A213 HydrophobicContact CB-CB 4.01Å; N211-A213 PolarHBondContact O-N 3.13Å; N211-A213 WeakPolarHBondContact OD1-CA 3.4Å; N211-A213 WeakPolarHBondContact OD1-CB 3.25Å; N211-A213 PolarHBondContact OD1-N 3.33Å
214G87.4Confident93.4Very high29 Ų2942.4 Ų42.430%0.29923%0.229SC..EExtended strand (participates in β ladder)trans152.8-160.1-177.900000112L135 A210 N211L135-G214 WeakPolarHBondContact CD2-O 3.45Å; A210-G214 WeakPolarHBondContact CA-O 3.37Å; N211-G214 PolarHBondContact N-O 2.71Å; N211-G214 PolarHBondContact O-N 3.46Å; N211-G214 VanDerWaalsContact O-N 3.16Å
215H92.1Very high93.3Very high112 Ų11242.1 Ų42.152%0.51922%0.223SC..EExtended strand (participates in β ladder)trans-118.5162.7170.959.8-85.9000110.9V208 A209 A210V208-H215 HydrophobicContact CG1-CB 4.24Å; A209-H215 CarbonylContact O-C 3.28Å; A209-H215 VanDerWaalsContact O-CA 3.28Å; A209-H215 WeakPolarHBondContact O-CA 3.45Å; A210-H215 HydrophobicContact CB-CB 4.06Å
216R93.4Very high92.8Very high52 Ų5246.6 Ų46.620%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-138.2144.9165.1-69.6-62.8-177.8-72.6-0.3108.7H98 L135 E137 F139 P161 V208 A209H98-R216 PolarHBondContact CE1-NH2 2.83Å; H98-R216 VanDerWaalsContact CE1-NH2 3.3Å; H98-R216 PolarHBondContact ND1-NH2 2.82Å; L135-R216 HydrophobicContact CD2-CB 4.41Å; L135-R216 HydrophobicContact CD2-CG 3.93Å; L135-R216 HydrophobicContact CG-CG 4.11Å; E137-R216 IonicContact OE1-CZ 2.71Å; E137-R216 IonicContact OE1-NE 3.22Å; E137-R216 IonicContact OE1-NH2 2.68Å; E137-R216 PolarHBondContact OE1-NH2 3.31Å; F139-R216 HydrophobicContact CE2-CB 3.89Å; F139-R216 HydrophobicContact CZ-CB 4.44Å; P161-R216 HydrophobicContact CG-CB 4.21Å; V208-R216 CarbonylContact C-O 3.44Å; V208-R216 WeakPolarHBondContact CA-O 3.41Å; A209-R216 PolarHBondContact N-O 3Å; A209-R216 PolarHBondContact O-N 2.97Å
217E94.9Very high92Very high104 Ų10450.2 Ų50.249%0.48626%0.26SS..EExtended strand (participates in β ladder)trans-110.2138.5-179.8-48.6-166.1138.800108.8F139 M206 V208F139-E217 WeakPolarHBondContact CE2-O 3.47Å; M206-E217 HydrophobicContact CE-CB 3.93Å; M206-E217 HydrophobicContact CE-CG 4.17Å; M206-E217 WeakPolarHBondContact CE-OE2 3.33Å; M206-E217 HydrophobicContact SD-CB 3.98Å; V208-E217 HydrophobicContact CG1-CG 4.38Å; V208-E217 HydrophobicContact CG2-CB 4.35Å; V208-E217 HydrophobicContact CG2-CG 4.05Å
218S95.8Very high90.8Very high9 Ų954 Ų546%0.06329%0.285CS..PPolyproline II helixtrans-72.3171.917272.60000110.6P143 M206 C207P143-S218 WeakPolarHBondContact CG-OG 3.42Å; M206-S218 WeakPolarHBondContact CG-O 3.36Å; M206-S218 VanDerWaalsContact SD-O 3.36Å; C207-S218 PolarHBondContact N-OG 2.82Å; C207-S218 PolarHBondContact O-N 3.15Å; C207-S218 PolarHBondContact O-OG 2.93Å; C207-S218 WeakPolarHBondContact SG-CB 3.49Å; C207-S218 PolarHBondContact SG-OG 2.79Å
219R93.9Very high88.6Confident118 Ų11859.2 Ų59.245%0.44531%0.309SS..PPolyproline II helixtrans-56.9151156.674-177.7-172.7144.4-1.9110.1Q142 P143Q142-R219 HydrophobicContact CB-CG 4.38Å; Q142-R219 VanDerWaalsContact OE1-CG 3.25Å; P143-R219 VanDerWaalsContact O-CZ 3.24Å; P143-R219 PolarHBondContact O-NE 2.84Å; P143-R219 PolarHBondContact O-NH2 2.82Å
220A93.7Very high86.5Confident57 Ų5764.8 Ų64.847%0.47134%0.339SS..PPolyproline II helixtrans-69.7143.2165.100000110.4Y205Y205-A220 CarbonylContact O-C 3.59Å; Y205-A220 WeakPolarHBondContact O-CA 3.24Å
221A95.4Very high84.2Confident0 Ų072 Ų720%036%0.36CS..EExtended strand (participates in β ladder)trans-120.8130.117500000109.5P143 R144 D145 Y205P143-A221 HydrophobicContact CB-CB 3.76Å; P143-A221 HydrophobicContact CG-CB 4.09Å; R144-A221 WeakPolarHBondContact O-CB 3.47Å; D145-A221 WeakPolarHBondContact OD1-CA 3.19Å; Y205-A221 PolarHBondContact N-O 3.26Å; Y205-A221 PolarHBondContact O-N 2.9Å
222R95.3Very high82.2Confident157 Ų15775.8 Ų75.859%0.59239%0.385SS*.EExtended strand (participates in β ladder)trans-85118.5-179.8-175.7173.7-63.4-77.6-1.6110.8D145 M146D145-R222 CarbonylContact C-O 3.58Å; D145-R222 VanDerWaalsContact CA-O 3.25Å; D145-R222 WeakPolarHBondContact CA-O 3.31Å; D145-R222 HydrophobicContact CB-CB 4.42Å; D145-R222 PolarHBondContact OD1-N 3.06Å; M146-R222 PolarHBondContact N-O 3.01Å
223V95.7Very high80.2Confident3 Ų382.2 Ų82.22%0.01841%0.41CS..EExtended strand (participates in β ladder)trans-91123.3163.6176.10000108.3M146 L154 L156 D201 A202 G203 Y205 I225M146-V223 WeakPolarHBondContact O-CA 3.28Å; L154-V223 HydrophobicContact CD2-CG1 3.64Å; L154-V223 HydrophobicContact CD2-CG2 4.17Å; L156-V223 HydrophobicContact CD1-CG2 3.85Å; L156-V223 HydrophobicContact CD2-CG2 3.95Å; L156-V223 HydrophobicContact CG-CG2 4.3Å; D201-V223 WeakPolarHBondContact O-CG1 3.43Å; A202-V223 WeakPolarHBondContact CA-O 3.3Å; G203-V223 PolarHBondContact N-O 2.66Å; G203-V223 PolarHBondContact O-N 2.96Å; Y205-V223 HydrophobicContact CD2-CB 3.99Å; Y205-V223 HydrophobicContact CD2-CG2 3.58Å; Y205-V223 HydrophobicContact CE2-CB 3.91Å; Y205-V223 HydrophobicContact CE2-CG2 3.83Å; Y205-V223 HydrophobicContact CG-CG2 4.24Å; V223-I225 HydrophobicContact CG1-CD1 3.51Å; V223-I225 HydrophobicContact CG1-CG1 4.05Å
224S93Very high78.2Confident48 Ų4885.8 Ų85.834%0.33643%0.431SS..EExtended strand (participates in β ladder)trans-114.8127.3164.9570000109.9M146 V147 A148M146-S224 PolarHBondContact O-N 2.66Å; V147-S224 WeakPolarHBondContact CA-O 3.46Å; A148-S224 PolarHBondContact N-O 2.79Å; A148-S224 VanDerWaalsContact N-O 3.16Å
225I94.1Very high76.1Confident25 Ų2589.9 Ų89.913%0.12845%0.45CS..EExtended strand (participates in β ladder)trans-100.7117177.6-56.3-52.6000108A148 V150 L154 A197 E198 D201 A202 V223A148-I225 HydrophobicContact CB-CD1 3.97Å; A148-I225 CarbonylContact O-C 3.56Å; A148-I225 WeakPolarHBondContact O-CA 3.23Å; V150-I225 HydrophobicContact CG2-CG2 3.63Å; L154-I225 HydrophobicContact CD2-CD1 4.26Å; A197-I225 HydrophobicContact CB-CD1 3.83Å; E198-I225 WeakPolarHBondContact O-CG1 3.29Å; D201-I225 HydrophobicContact CB-CG1 4.17Å; A202-I225 HydrophobicContact CB-CB 4.44Å; A202-I225 HydrophobicContact CB-CG1 4.27Å; V223-I225 HydrophobicContact CG1-CD1 3.51Å; V223-I225 HydrophobicContact CG1-CG1 4.05Å
226Q86.4Confident74Confident93 Ų9390.3 Ų90.344%0.43545%0.452SS..EExtended strand (participates in β ladder)trans-87.7140.1172.7-64.8-169.68.500109.2V147 A148 V149 V150V147-Q226 HydrophobicContact CG1-CG 3.76Å; A148-Q226 PolarHBondContact O-N 2.68Å; V149-Q226 CarbonylContact C-O 3.52Å; V149-Q226 WeakPolarHBondContact CA-O 3.35Å; V150-Q226 PolarHBondContact N-O 2.73Å
227E79.1Confident72.2Confident114 Ų11489.2 Ų89.253%0.53345%0.451SS..PPolyproline II helixtrans-62.7151.2161.3-51-159.6-152.600108.4K199 Q229K199-E227 WeakPolarHBondContact CE-OE1 3.31Å; K199-E227 VanDerWaalsContact CE-OE2 3.23Å; K199-E227 WeakPolarHBondContact CE-OE2 3.31Å; K199-E227 IonicContact NZ-OE1 2.72Å; K199-E227 PolarHBondContact NZ-OE1 2.68Å; K199-E227 IonicContact NZ-OE2 3.59Å; K199-E227 PolarHBondContact NZ-OE2 3.28Å; E227-Q229 PolarHBondContact O-N 2.88Å
228P69.4Low70.2Confident81 Ų8191.5 Ų91.553%0.52647%0.465SS..PPolyproline II helixtrans-56.5116.4169.6-16.429.8000107V149 D230V149-P228 HydrophobicContact CG1-CB 3.91Å; V149-P228 HydrophobicContact CG1-CG 3.76Å; P228-D230 PolarHBondContact O-N 2.89Å
229Q51Low68.2Low119 Ų11992.8 Ų92.856%0.55648%0.476SS*.  trans-67.885168.3-72.7-99.8-3.100106.7E227 Y231E227-Q229 PolarHBondContact O-N 2.88Å; Q229-Y231 HydrophobicContact CB-CD2 3.71Å; Q229-Y231 HydrophobicContact CB-CE1 4.3Å; Q229-Y231 HydrophobicContact CB-CE2 3.32Å; Q229-Y231 HydrophobicContact CB-CG 4.35Å; Q229-Y231 HydrophobicContact CG-CE2 4.11Å; Q229-Y231 VanDerWaalsContact O-CD2 3.28Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.11Å; Q229-Y231 PolarHBondContact O-N 2.85Å; Q229-Y231 VanDerWaalsContact OE1-CE1 3.31Å
230D51.4Low67Low117 Ų11787.3 Ų87.363%0.62646%0.456SS*.  trans-65.790.7157.3-170.347.4000106P228 T232P228-D230 PolarHBondContact O-N 2.89Å; D230-T232 PolarHBondContact O-N 2.93Å; D230-T232 PolarHBondContact O-OG1 3.32Å; D230-T232 WeakPolarHBondContact OD2-CB 3.27Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.13Å; D230-T232 PolarHBondContact OD2-OG1 2.86Å
231Y45.7Very low66Low183 Ų18392.6 Ų92.672%0.71846%0.464SS*.  trans-71.266.7173-70.8-78.7000108.6Q229 E233Q229-Y231 HydrophobicContact CB-CD2 3.71Å; Q229-Y231 HydrophobicContact CB-CE1 4.3Å; Q229-Y231 HydrophobicContact CB-CE2 3.32Å; Q229-Y231 HydrophobicContact CB-CG 4.35Å; Q229-Y231 HydrophobicContact CG-CE2 4.11Å; Q229-Y231 VanDerWaalsContact O-CD2 3.28Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.11Å; Q229-Y231 PolarHBondContact O-N 2.85Å; Q229-Y231 VanDerWaalsContact OE1-CE1 3.31Å; Y231-E233 PolarHBondContact O-N 2.77Å; Y231-E233 VanDerWaalsContact O-N 3.11Å
232T48.9Very low65.5Low107 Ų10793.2 Ų93.266%0.65647%0.467SS*.  trans-78.729.5174.614.70000112.6D230 P234D230-T232 PolarHBondContact O-N 2.93Å; D230-T232 PolarHBondContact O-OG1 3.32Å; D230-T232 WeakPolarHBondContact OD2-CB 3.27Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.13Å; D230-T232 PolarHBondContact OD2-OG1 2.86Å; T232-P234 VanDerWaalsContact O-CD 3.31Å; T232-P234 WeakPolarHBondContact O-CD 3.43Å
233E44.4Very low65.2Low176 Ų17691 Ų9182%0.82246%0.463SS*.SBendtrans-89104.2151.6-71.5-161.1159.200108.2Y231 V235Y231-E233 PolarHBondContact O-N 2.77Å; Y231-E233 VanDerWaalsContact O-N 3.11Å; E233-V235 PolarHBondContact O-N 2.85Å
234P40.9Very low65Low98 Ų9891 Ų9164%0.63646%0.463SS*.  trans-67.2120.517827.6-33.3000109.7T232 E236T232-P234 VanDerWaalsContact O-CD 3.31Å; T232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-E236 PolarHBondContact O-N 2.88Å
235V42.9Very low64.9Low114 Ų11493.6 Ų93.669%0.69147%0.47SS*.  trans-68.783.6164.1-178.10000107.8E233 L237 A330E233-V235 PolarHBondContact O-N 2.85Å; V235-L237 PolarHBondContact O-N 2.83Å; V235-A330 WeakPolarHBondContact O-CB 3.32Å
236E49.3Very low64.7Low121 Ų12196.2 Ų96.257%0.56548%0.484SS*.  trans-59.3135.7177.4-72.6-164154.300110.4P234 L238P234-E236 PolarHBondContact O-N 2.88Å; E236-L238 HydrophobicContact CB-CD2 4.06Å; E236-L238 HydrophobicContact CB-CG 3.91Å; E236-L238 PolarHBondContact O-N 2.87Å; E236-L238 VanDerWaalsContact OE2-CD2 3.24Å; E236-L238 WeakPolarHBondContact OE2-CD2 3.17Å
237L55.5Low64.9Low30 Ų3092.3 Ų92.316%0.15747%0.467CS..  trans-76.359.9169.5-63.2174.4000110.3V235 A239 V240 P325V235-L237 PolarHBondContact O-N 2.83Å; L237-A239 PolarHBondContact O-N 2.99Å; L237-V240 HydrophobicContact CB-CB 4.19Å; L237-V240 HydrophobicContact CB-CG2 4.09Å; L237-V240 PolarHBondContact O-N 3.08Å; L237-P325 HydrophobicContact CD1-CB 4.48Å
238L52.7Low65.3Low152 Ų15289.7 Ų89.780%0.79646%0.458SS*.THydrogen-bonded Turntrans-49.2-16.7-174.9-72.2169.5000115.4E236E236-L238 HydrophobicContact CB-CD2 4.06Å; E236-L238 HydrophobicContact CB-CG 3.91Å; E236-L238 PolarHBondContact O-N 2.87Å; E236-L238 VanDerWaalsContact OE2-CD2 3.24Å; E236-L238 WeakPolarHBondContact OE2-CD2 3.17Å
239A53.6Low66.1Low35 Ų3588.2 Ų88.229%0.28945%0.446SS..THydrogen-bonded Turntrans-117.1-0-175.100000114.4L237 G272 P273 A274L237-A239 PolarHBondContact O-N 2.99Å; A239-G272 WeakPolarHBondContact O-CA 3.03Å; A239-P273 HydrophobicContact CB-CG 4.06Å; A239-A274 HydrophobicContact CB-CB 3.85Å
240V67.6Low67.7Low4 Ų484.8 Ų84.82%0.02443%0.431CS..  trans-10198.8176.5-176.10000109.7L237 V270 A274 P325 P333L237-V240 HydrophobicContact CB-CB 4.19Å; L237-V240 HydrophobicContact CB-CG2 4.09Å; L237-V240 PolarHBondContact O-N 3.08Å; V240-V270 HydrophobicContact CG1-CG1 3.78Å; V240-A274 HydrophobicContact CG2-CB 3.8Å; V240-P325 HydrophobicContact CG1-CB 4.32Å; V240-P325 HydrophobicContact CG1-CG 4.16Å; V240-P333 VanDerWaalsContact O-CG 3.28Å; V240-P333 WeakPolarHBondContact O-CG 3.38Å
241R73.9Confident68.8Low168 Ų16885.8 Ų85.863%0.63444%0.436SS*.EExtended strand (participates in β ladder)trans-88.5123.3168.8-68.8-175.3-61-93.2-3.2109.7S271R241-S271 PolarHBondContact N-O 2.88Å; R241-S271 PolarHBondContact O-N 2.85Å; R241-S271 PolarHBondContact O-OG 2.83Å
242I85.6Confident69.6Low13 Ų1380.6 Ų80.67%0.06743%0.425CS..EExtended strand (participates in β ladder)trans-107.6141.5174.3-147.1173.1000109.9W268 K269 V270 Y280 V323 P325I242-W268 HydrophobicContact CD1-CG 4.21Å; I242-W268 HydrophobicContact CG1-CG 4.37Å; I242-K269 WeakPolarHBondContact CA-O 3.31Å; I242-V270 HydrophobicContact CG1-CG2 4.29Å; I242-Y280 HydrophobicContact CD1-CD1 3.44Å; I242-Y280 VanDerWaalsContact CD1-CD1 3.44Å; I242-Y280 HydrophobicContact CD1-CE1 3.51Å; I242-V323 HydrophobicContact CD1-CG1 4.01Å; I242-V323 WeakPolarHBondContact CG2-O 3.33Å; I242-P325 HydrophobicContact CD1-CB 4.36Å; I242-P325 HydrophobicContact CD1-CG 4.46Å
243Q87.9Confident70.1Confident111 Ų11178.8 Ų78.852%0.51941%0.411SS..EExtended strand (participates in β ladder)trans-129.5119.8177.6-176.8174.9-4.700108.9E245 W268 K269 N336Q243-E245 PolarHBondContact O-N 2.89Å; Q243-W268 CarbonylContact O-C 3.6Å; Q243-W268 WeakPolarHBondContact O-CA 3.38Å; Q243-W268 VanDerWaalsContact O-CB 3.32Å; Q243-W268 WeakPolarHBondContact O-CB 3.45Å; Q243-K269 PolarHBondContact N-O 2.95Å; Q243-K269 PolarHBondContact O-N 2.92Å; Q243-N336 WeakPolarHBondContact CA-OD1 3.3Å; Q243-N336 WeakPolarHBondContact CG-OD1 3.4Å
244L91.3Very high70.8Confident2 Ų276.5 Ų76.51%0.0141%0.412CS..EExtended strand (participates in β ladder)trans-78.3109.1174-176.159000107.4V247 L266 W268 F321 V323 N336 L338L244-V247 HydrophobicContact CD1-CG2 4.29Å; L244-V247 HydrophobicContact CD2-CG2 3.83Å; L244-V247 HydrophobicContact CG-CG2 4.07Å; L244-L266 HydrophobicContact CD1-CB 4.29Å; L244-W268 HydrophobicContact CD1-CB 4.18Å; L244-F321 HydrophobicContact CD2-CB 4.1Å; L244-V323 HydrophobicContact CD1-CG2 3.9Å; L244-N336 PolarHBondContact N-OD1 3.23Å; L244-N336 PolarHBondContact O-ND2 3.35Å; L244-L338 HydrophobicContact CD2-CB 4.19Å; L244-L338 HydrophobicContact CD2-CG 4.39Å; L244-L338 HydrophobicContact CG-CD1 4.11Å; L244-L338 HydrophobicContact CG-CG 4.29Å; L244-L338 WeakPolarHBondContact O-CD1 3.46Å
245E90.9Very high71.5Confident103 Ų10376.2 Ų76.248%0.48142%0.418SS..EExtended strand (participates in β ladder)trans-87.9-34.4-172.2-65.3-167.5141.200112.2Q243 S267 K269Q243-E245 PolarHBondContact O-N 2.89Å; E245-S267 PolarHBondContact N-O 2.94Å; E245-K269 HydrophobicContact CG-CB 4.01Å; E245-K269 WeakPolarHBondContact OE1-CD 3.36Å; E245-K269 IonicContact OE1-NZ 2.88Å
246N89.8Confident72.2Confident80 Ų8078 Ų7843%0.42842%0.416SS..EExtended strand (participates in β ladder)trans-153.3155.7-179.1-156.20000112.8T248 S267N246-T248 WeakPolarHBondContact ND2-CG2 3.26Å; N246-S267 WeakPolarHBondContact CB-OG 3.34Å; N246-S267 PolarHBondContact N-O 2.81Å; N246-S267 VanDerWaalsContact N-O 3.08Å; N246-S267 PolarHBondContact O-N 2.71Å
247V90.6Very high72.4Confident11 Ų1174.4 Ų74.47%0.06741%0.411CS..EExtended strand (participates in β ladder)trans-144.397.8179.8178.20000107.1L244 V264 W265 L266 F321 L338 L340L244-V247 HydrophobicContact CD1-CG2 4.29Å; L244-V247 HydrophobicContact CD2-CG2 3.83Å; L244-V247 HydrophobicContact CG-CG2 4.07Å; V247-V264 HydrophobicContact CG1-CG1 3.41Å; V247-V264 VanDerWaalsContact CG1-CG1 3.41Å; V247-W265 WeakPolarHBondContact CA-O 3.38Å; V247-L266 HydrophobicContact CB-CD2 4.3Å; V247-L266 HydrophobicContact CG1-CD2 3.93Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å; V247-F321 HydrophobicContact CG1-CD2 3.73Å; V247-F321 HydrophobicContact CG1-CE2 3.94Å; V247-F321 HydrophobicContact CG1-CG 4.11Å; V247-F321 HydrophobicContact CG1-CZ 4.5Å; V247-F321 HydrophobicContact CG2-CB 4.34Å; V247-L338 HydrophobicContact CG2-CB 3.72Å; V247-L338 HydrophobicContact CG2-CD1 3.97Å; V247-L338 HydrophobicContact CG2-CG 4.43Å; V247-L340 HydrophobicContact CG1-CB 3.89Å; V247-L340 HydrophobicContact CG1-CD2 4.09Å
248T87.9Confident72.2Confident58 Ų5879.2 Ų79.236%0.35644%0.444SS..EExtended strand (participates in β ladder)trans-113.4134.9-175.452.30000112.5N246 L250 V264 W265N246-T248 WeakPolarHBondContact ND2-CG2 3.26Å; T248-L250 PolarHBondContact O-N 2.68Å; T248-V264 CarbonylContact O-C 3.26Å; T248-V264 WeakPolarHBondContact O-CA 3.39Å; T248-W265 PolarHBondContact N-O 3.39Å; T248-W265 PolarHBondContact O-N 3.1Å
249L87.3Confident72.3Confident51 Ų5177 Ų7727%0.26743%0.428SS..EExtended strand (participates in β ladder)trans-60.5126.1170.9175.562.8000110.2W315 L340 L342 P343L249-W315 HydrophobicContact CD1-CH2 4.34Å; L249-W315 HydrophobicContact CD1-CZ3 4.17Å; L249-W315 HydrophobicContact CD2-CZ3 4.39Å; L249-L340 HydrophobicContact CB-CD2 4.36Å; L249-L342 HydrophobicContact CD1-CD2 3.8Å; L249-P343 HydrophobicContact CD2-CG 3.8Å
250L83.7Confident72.6Confident47 Ų4782.1 Ų82.125%0.24646%0.459CS..EExtended strand (participates in β ladder)trans-82.6121.3167.8-68.1167.3000108.8T248 A263 W265 E309T248-L250 PolarHBondContact O-N 2.68Å; L250-A263 HydrophobicContact CB-CB 4.43Å; L250-A263 WeakPolarHBondContact CB-O 3.28Å; L250-A263 HydrophobicContact CD1-CB 4.15Å; L250-A263 PolarHBondContact N-O 2.81Å; L250-W265 HydrophobicContact CD1-CB 4.25Å; L250-W265 HydrophobicContact CD1-CE3 4.26Å; L250-W265 HydrophobicContact CD2-CB 3.92Å; L250-W265 HydrophobicContact CD2-CE3 4.44Å; L250-W265 HydrophobicContact CG-CB 4Å; L250-E309 HydrophobicContact CD1-CB 4.04Å; L250-E309 HydrophobicContact CD1-CG 3.56Å
251N73.9Confident72.8Confident137 Ų13783.2 Ų83.273%0.73347%0.471SS*.PPolyproline II helixtrans-66.9129164.2-68.9-32.6000108.1D253N251-D253 PolarHBondContact O-N 3.11Å; N251-D253 VanDerWaalsContact O-N 3.1Å
252P63.8Low73.4Confident75 Ų7575.4 Ų75.449%0.48744%0.442SS..  trans-64115.8178.125.5-33000109.6P254P252-P254 WeakPolarHBondContact O-CD 3.14Å
253D59.5Low73.4Confident68 Ų6875.2 Ų75.236%0.36444%0.443SS..  trans-68.1111.4178.9179.5-6.1000109.6N251 A255 K256N251-D253 PolarHBondContact O-N 3.11Å; N251-D253 VanDerWaalsContact O-N 3.1Å; D253-A255 PolarHBondContact O-N 3.06Å; D253-A255 VanDerWaalsContact O-N 3.09Å; D253-A255 WeakPolarHBondContact OD1-CB 3.05Å; D253-A255 PolarHBondContact OD1-N 2.68Å; D253-A255 VanDerWaalsContact OD1-N 3.11Å; D253-K256 HydrophobicContact CB-CB 4.4Å; D253-K256 HydrophobicContact CB-CD 4.14Å; D253-K256 HydrophobicContact CB-CG 4.34Å; D253-K256 PolarHBondContact O-N 3.09Å; D253-K256 VanDerWaalsContact OD2-CD 3.27Å; D253-K256 WeakPolarHBondContact OD2-CD 3.11Å; D253-K256 WeakPolarHBondContact OD2-CE 3.27Å; D253-K256 IonicContact OD2-NZ 2.85Å; D253-K256 PolarHBondContact OD2-NZ 3.16Å
254P57.7Low73.6Confident129 Ų12970 Ų7084%0.83842%0.418SS*.G310 helixtrans-64.6-16.8-174.727.4-35.1000113P252 K256P252-P254 WeakPolarHBondContact O-CD 3.14Å; P254-K256 VanDerWaalsContact C-N 3.34Å
255A56.2Low73.6Confident91 Ų9174.7 Ų74.775%0.75244%0.436SS*.G310 helixtrans-79.2-12.4176.700000113.9D253D253-A255 PolarHBondContact O-N 3.06Å; D253-A255 VanDerWaalsContact O-N 3.09Å; D253-A255 WeakPolarHBondContact OD1-CB 3.05Å; D253-A255 PolarHBondContact OD1-N 2.68Å; D253-A255 VanDerWaalsContact OD1-N 3.11Å
256K57.7Low73.7Confident152 Ų15269.8 Ų69.866%0.66141%0.413SS*.G310 helixtrans-101.511.8-173.8-72179.5-177.3139.70115D253 P254D253-K256 HydrophobicContact CB-CB 4.4Å; D253-K256 HydrophobicContact CB-CD 4.14Å; D253-K256 HydrophobicContact CB-CG 4.34Å; D253-K256 PolarHBondContact O-N 3.09Å; D253-K256 VanDerWaalsContact OD2-CD 3.27Å; D253-K256 WeakPolarHBondContact OD2-CD 3.11Å; D253-K256 WeakPolarHBondContact OD2-CE 3.27Å; D253-K256 IonicContact OD2-NZ 2.85Å; D253-K256 PolarHBondContact OD2-NZ 3.16Å; P254-K256 VanDerWaalsContact C-N 3.34Å
257G53.9Low73.8Confident45 Ų4567.4 Ų67.446%0.46440%0.402SS..  trans73.5179.1-178.300000113.5K259G257-K259 PolarHBondContact O-N 2.8Å
258P51Low73.9Confident131 Ų13167.1 Ų67.185%0.85140%0.4SS*.  trans-76.693.9-17130.4-35000112.2P260P258-P260 WeakPolarHBondContact O-CD 3.37Å
259K53.6Low73.9Confident105 Ų10569.9 Ų69.946%0.45741%0.407SS..  trans-72.2115.7155-75.4-176.5172-179.20108.3G257 G261 E309G257-K259 PolarHBondContact O-N 2.8Å; K259-G261 PolarHBondContact O-N 3.11Å; K259-E309 IonicContact NZ-OE1 2.7Å; K259-E309 PolarHBondContact NZ-OE1 3.36Å; K259-E309 IonicContact NZ-OE2 2.79Å; K259-E309 PolarHBondContact NZ-OE2 3.21Å
260P61.3Low73.8Confident143 Ų14369.8 Ų69.893%0.92941%0.409SS*.  trans-81.718.6-164.533-37.4000115.2P258P258-P260 WeakPolarHBondContact O-CD 3.37Å
261G71.8Confident73.5Confident27 Ų2770 Ų7028%0.27841%0.414SS..SBendtrans-160.1171.7-177.100000113.8K259K259-G261 PolarHBondContact O-N 3.11Å
262P84.9Confident73.2Confident4 Ų465.6 Ų65.63%0.02640%0.401CS..  trans-63.7139.4167.617.6-12.5000110.4L313 W315 L342P262-L313 HydrophobicContact CB-CB 4.4Å; P262-L313 WeakPolarHBondContact CD-O 3.39Å; P262-L313 HydrophobicContact CG-CB 3.98Å; P262-L313 WeakPolarHBondContact CG-O 3.18Å; P262-W315 HydrophobicContact CB-CD2 3.91Å; P262-W315 HydrophobicContact CB-CE3 4.01Å; P262-W315 HydrophobicContact CB-CH2 3.69Å; P262-W315 HydrophobicContact CB-CZ2 3.57Å; P262-W315 HydrophobicContact CB-CZ3 3.91Å; P262-W315 HydrophobicContact CG-CD2 3.77Å; P262-W315 HydrophobicContact CG-CE3 4.28Å; P262-W315 HydrophobicContact CG-CG 4.02Å; P262-W315 HydrophobicContact CG-CZ2 4.06Å; P262-L342 HydrophobicContact CB-CD1 4.37Å; P262-L342 HydrophobicContact CB-CD2 4.41Å; P262-L342 HydrophobicContact CG-CD1 4.32Å
263A87.3Confident72.7Confident10 Ų1068 Ų688%0.08342%0.417CS..EExtended strand (participates in β ladder)trans-127.9152.1173.600000109.9L250 E309 L310L250-A263 HydrophobicContact CB-CB 4.43Å; L250-A263 WeakPolarHBondContact CB-O 3.28Å; L250-A263 HydrophobicContact CD1-CB 4.15Å; L250-A263 PolarHBondContact N-O 2.81Å; A263-E309 HydrophobicContact CB-CG 4.09Å; A263-E309 VanDerWaalsContact CB-OE1 3.25Å; A263-E309 WeakPolarHBondContact CB-OE1 3.06Å; A263-L310 CarbonylContact C-O 3.37Å; A263-L310 VanDerWaalsContact CA-O 3.27Å; A263-L310 WeakPolarHBondContact CA-O 3.48Å
264V91.3Very high72.5Confident0 Ų066.8 Ų66.80%042%0.416CS..EExtended strand (participates in β ladder)trans-133.4136.1-172.2168.50000109.3V247 T248 L266 E309 L310 L313 L340 L342V247-V264 HydrophobicContact CG1-CG1 3.41Å; V247-V264 VanDerWaalsContact CG1-CG1 3.41Å; T248-V264 CarbonylContact O-C 3.26Å; T248-V264 WeakPolarHBondContact O-CA 3.39Å; V264-L266 HydrophobicContact CG1-CD2 4.05Å; V264-E309 WeakPolarHBondContact O-CA 3.38Å; V264-L310 PolarHBondContact N-O 2.81Å; V264-L310 PolarHBondContact O-N 2.81Å; V264-L313 HydrophobicContact CB-CD1 3.93Å; V264-L313 HydrophobicContact CG2-CD1 3.42Å; V264-L313 VanDerWaalsContact CG2-CD1 3.42Å; V264-L340 HydrophobicContact CG1-CD2 4.15Å; V264-L340 HydrophobicContact CG2-CD2 3.72Å; V264-L342 HydrophobicContact CG2-CD2 4.14Å
265W91.3Very high72.4Confident101 Ų10164.4 Ų64.438%0.38341%0.407SS..EExtended strand (participates in β ladder)trans-92.1114.8174.3-167.9-94.9000109.5V247 T248 L250 S307 E309V247-W265 WeakPolarHBondContact CA-O 3.38Å; T248-W265 PolarHBondContact N-O 3.39Å; T248-W265 PolarHBondContact O-N 3.1Å; L250-W265 HydrophobicContact CD1-CB 4.25Å; L250-W265 HydrophobicContact CD1-CE3 4.26Å; L250-W265 HydrophobicContact CD2-CB 3.92Å; L250-W265 HydrophobicContact CD2-CE3 4.44Å; L250-W265 HydrophobicContact CG-CB 4Å; W265-S307 WeakPolarHBondContact CZ2-OG 3.49Å; W265-E309 HydrophobicContact CE3-CB 4.05Å; W265-E309 HydrophobicContact CZ3-CB 4.19Å
266L93.9Very high72.8Confident0 Ų064.7 Ų64.70%040%0.401CS..EExtended strand (participates in β ladder)trans-91.5137.6173.4-56.3178.3000108.4L244 V247 V264 W268 A282 L302 S307 A308 L310 F321 V323L244-L266 HydrophobicContact CD1-CB 4.29Å; V247-L266 HydrophobicContact CB-CD2 4.3Å; V247-L266 HydrophobicContact CG1-CD2 3.93Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å; V264-L266 HydrophobicContact CG1-CD2 4.05Å; L266-W268 HydrophobicContact CB-CE3 4.11Å; L266-W268 HydrophobicContact CB-CZ3 3.97Å; L266-A282 HydrophobicContact CD1-CB 3.74Å; L266-L302 HydrophobicContact CD1-CD1 4.13Å; L266-L302 HydrophobicContact CD1-CD2 4.31Å; L266-S307 CarbonylContact O-C 3.45Å; L266-S307 WeakPolarHBondContact O-CA 3.42Å; L266-S307 WeakPolarHBondContact O-CB 3.45Å; L266-A308 PolarHBondContact N-O 3.36Å; L266-A308 PolarHBondContact O-N 3.09Å; L266-L310 HydrophobicContact CD1-CB 4.13Å; L266-L310 HydrophobicContact CD1-CD2 4.02Å; L266-L310 HydrophobicContact CG-CB 4.39Å; L266-F321 HydrophobicContact CD2-CB 4.42Å; L266-F321 HydrophobicContact CD2-CD1 4.08Å; L266-F321 HydrophobicContact CD2-CG 4.34Å; L266-V323 HydrophobicContact CD1-CG2 4.18Å
267S91.7Very high73.5Confident30 Ų3057.5 Ų57.521%0.2137%0.37CS..EExtended strand (participates in β ladder)trans-135.4129.9168.666.60000111.6E245 N246 Q306E245-S267 PolarHBondContact N-O 2.94Å; N246-S267 WeakPolarHBondContact CB-OG 3.34Å; N246-S267 PolarHBondContact N-O 2.81Å; N246-S267 VanDerWaalsContact N-O 3.08Å; N246-S267 PolarHBondContact O-N 2.71Å; S267-Q306 CarbonylContact C-O 3.53Å; S267-Q306 WeakPolarHBondContact CA-O 3.37Å
268W92.4Very high74.6Confident5 Ų561 Ų612%0.01938%0.375CS..EExtended strand (participates in β ladder)trans-137.8155-172.863.786.5000112.1I242 Q243 L244 L266 Y280 L302 G304 W305 Q306 S307 A308 V323I242-W268 HydrophobicContact CD1-CG 4.21Å; I242-W268 HydrophobicContact CG1-CG 4.37Å; Q243-W268 CarbonylContact O-C 3.6Å; Q243-W268 WeakPolarHBondContact O-CA 3.38Å; Q243-W268 VanDerWaalsContact O-CB 3.32Å; Q243-W268 WeakPolarHBondContact O-CB 3.45Å; L244-W268 HydrophobicContact CD1-CB 4.18Å; L266-W268 HydrophobicContact CB-CE3 4.11Å; L266-W268 HydrophobicContact CB-CZ3 3.97Å; W268-Y280 AromaticContact CE2-CG 4Å; W268-Y280 HydrophobicContact CZ2-CD1 4.44Å; W268-Y280 AromaticContact CZ2-CD2 3.88Å; W268-Y280 HydrophobicContact CZ2-CD2 3.88Å; W268-Y280 AromaticContact CZ2-CG 3.78Å; W268-Y280 HydrophobicContact CZ2-CG 3.78Å; W268-Y280 AromaticContact NE1-CD1 3.64Å; W268-Y280 AromaticContact NE1-CE1 3.79Å; W268-Y280 AromaticContact NE1-CG 3.83Å; W268-L302 HydrophobicContact CE3-CD1 4.39Å; W268-L302 HydrophobicContact CH2-CB 4.12Å; W268-L302 HydrophobicContact CH2-CD1 3.47Å; W268-L302 VanDerWaalsContact CH2-CD1 3.47Å; W268-L302 HydrophobicContact CH2-CG 4.42Å; W268-L302 HydrophobicContact CZ2-CD1 4.24Å; W268-L302 HydrophobicContact CZ3-CD1 3.56Å; W268-G304 VanDerWaalsContact CZ2-O 3.26Å; W268-G304 WeakPolarHBondContact CZ2-O 3.42Å; W268-W305 PolarHBondContact NE1-O 2.78Å; W268-W305 VanDerWaalsContact NE1-O 3.08Å; W268-Q306 PolarHBondContact N-O 3.37Å; W268-Q306 VanDerWaalsContact O-O 3.12Å; W268-S307 VanDerWaalsContact CZ3-CA 3.48Å; W268-A308 HydrophobicContact CH2-CB 3.81Å; W268-A308 HydrophobicContact CZ3-CB 4.07Å; W268-V323 HydrophobicContact CD2-CG1 4.11Å; W268-V323 HydrophobicContact CD2-CG2 4.38Å; W268-V323 HydrophobicContact CE3-CG1 4.43Å; W268-V323 HydrophobicContact CE3-CG2 4.03Å; W268-V323 HydrophobicContact CG-CG1 4.39Å
269K87.6Confident76.2Confident117 Ų11756.5 Ų56.551%0.50935%0.346SS..EExtended strand (participates in β ladder)trans-113.4136.5179.8-173.2165.3-179.4173.10110.6I242 Q243 E245I242-K269 WeakPolarHBondContact CA-O 3.31Å; Q243-K269 PolarHBondContact N-O 2.95Å; Q243-K269 PolarHBondContact O-N 2.92Å; E245-K269 HydrophobicContact CG-CB 4.01Å; E245-K269 WeakPolarHBondContact OE1-CD 3.36Å; E245-K269 IonicContact OE1-NZ 2.88Å
270V84.8Confident78Confident49 Ų4951.8 Ų51.830%0.29733%0.326SS..EExtended strand (participates in β ladder)trans-103.9133.4178.6-168.90000108.3V240 I242 Y280V240-V270 HydrophobicContact CG1-CG1 3.78Å; I242-V270 HydrophobicContact CG1-CG2 4.29Å; V270-Y280 HydrophobicContact CG2-CE1 4.09Å
271S77.6Confident79.5Confident50 Ų5045.8 Ų45.835%0.3529%0.286SS..EExtended strand (participates in β ladder)trans-141.9122.4178.367.20000111.5R241R241-S271 PolarHBondContact N-O 2.88Å; R241-S271 PolarHBondContact O-N 2.85Å; R241-S271 PolarHBondContact O-OG 2.83Å
272G68.9Low80.5Confident45 Ų4544.5 Ų44.546%0.46427%0.273SS..  trans170.6157.4-176.400000113.6A239A239-G272 WeakPolarHBondContact O-CA 3.03Å
273P53.3Low80.9Confident126 Ų12644.5 Ų44.582%0.81827%0.273SS*.SBendtrans-84.6-5.3170.734.5-37.2000114A239A239-P273 HydrophobicContact CB-CG 4.06Å
274A53.5Low81.2Confident43 Ų4345.3 Ų45.336%0.35527%0.274SS..SBendtrans-80.6162.1178.200000112.7A239 V240A239-A274 HydrophobicContact CB-CB 3.85Å; V240-A274 HydrophobicContact CG2-CB 3.8Å
275A56.3Low81.1Confident78 Ų7847.8 Ų47.865%0.64528%0.284SS*.PPolyproline II helixtrans-54.8146.6174.300000111.6A277A275-A277 PolarHBondContact O-N 2.76Å
276P64.1Low81Confident97 Ų9745.2 Ų45.263%0.6328%0.279SS*.PPolyproline II helixtrans-59.9138.1179.925.6-34.6000111Q278P276-Q278 PolarHBondContact O-N 2.8Å
277A72.1Confident80.3Confident1 Ų149.3 Ų49.31%0.00830%0.299CS..PPolyproline II helixtrans-62.9134.5172.100000109.5A275 S279 Y280 W305 P325 S326A275-A277 PolarHBondContact O-N 2.76Å; A277-S279 VanDerWaalsContact C-N 3.27Å; A277-S279 PolarHBondContact O-N 3.05Å; A277-Y280 HydrophobicContact CB-CE1 4Å; A277-Y280 PolarHBondContact O-OH 3.48Å; A277-W305 VanDerWaalsContact O-CZ3 3.27Å; A277-W305 WeakPolarHBondContact O-CZ3 3.42Å; A277-P325 HydrophobicContact CB-CB 3.5Å; A277-P325 VanDerWaalsContact CB-CB 3.5Å; A277-S326 CarbonylContact C-O 3.55Å
278Q77.4Confident79.2Confident120 Ų12050.4 Ų50.456%0.56130%0.304SS*.SBendtrans-72.8-21.6-175.3-64174.7-19.400112.8P276 S326P276-Q278 PolarHBondContact O-N 2.8Å; Q278-S326 PolarHBondContact N-O 2.95Å
279S85.9Confident77.6Confident36 Ų3653.1 Ų53.125%0.25233%0.327SS..EExtended strand (participates in β ladder)trans-153.5164.8-17846.70000110.7A277 S326A277-S279 VanDerWaalsContact C-N 3.27Å; A277-S279 PolarHBondContact O-N 3.05Å; S279-S326 PolarHBondContact N-O 3.05Å; S279-S326 PolarHBondContact O-N 3.1Å; S279-S326 PolarHBondContact O-OG 3.03Å; S279-S326 PolarHBondContact OG-O 2.97Å; S279-S326 PolarHBondContact OG-OG 3.19Å
280Y89.9Confident75.9Confident6 Ų654.3 Ų54.32%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-132.8141.5176.5-59.1-85.5000109.5I242 W268 V270 A277 L302 W305 V323 R324 P325I242-Y280 HydrophobicContact CD1-CD1 3.44Å; I242-Y280 VanDerWaalsContact CD1-CD1 3.44Å; I242-Y280 HydrophobicContact CD1-CE1 3.51Å; W268-Y280 AromaticContact CE2-CG 4Å; W268-Y280 HydrophobicContact CZ2-CD1 4.44Å; W268-Y280 AromaticContact CZ2-CD2 3.88Å; W268-Y280 HydrophobicContact CZ2-CD2 3.88Å; W268-Y280 AromaticContact CZ2-CG 3.78Å; W268-Y280 HydrophobicContact CZ2-CG 3.78Å; W268-Y280 AromaticContact NE1-CD1 3.64Å; W268-Y280 AromaticContact NE1-CE1 3.79Å; W268-Y280 AromaticContact NE1-CG 3.83Å; V270-Y280 HydrophobicContact CG2-CE1 4.09Å; A277-Y280 HydrophobicContact CB-CE1 4Å; A277-Y280 PolarHBondContact O-OH 3.48Å; Y280-L302 WeakPolarHBondContact O-CB 3.35Å; Y280-L302 PolarHBondContact O-N 2.99Å; Y280-W305 HydrophobicContact CE2-CE3 4.16Å; Y280-W305 VanDerWaalsContact CE2-O 3.3Å; Y280-W305 WeakPolarHBondContact CE2-O 3.33Å; Y280-V323 HydrophobicContact CD1-CG1 4.29Å; Y280-R324 CarbonylContact C-O 3.56Å; Y280-R324 WeakPolarHBondContact CA-O 3.41Å; Y280-P325 HydrophobicContact CD1-CB 4.11Å; Y280-P325 HydrophobicContact CE1-CB 3.93Å
281T92.7Very high74.3Confident16 Ų1655.7 Ų55.710%0.09837%0.371CS..EExtended strand (participates in β ladder)trans-116.1124.8177.7-53.50000108.4E299 E300 V323 R324T281-E299 HydrophobicContact CG2-CB 3.81Å; T281-E299 HydrophobicContact CG2-CG 4.44Å; T281-E300 CarbonylContact C-O 3.25Å; T281-E300 WeakPolarHBondContact CA-O 3.28Å; T281-E300 WeakPolarHBondContact CG2-O 3.29Å; T281-V323 CarbonylContact O-C 3.52Å; T281-V323 WeakPolarHBondContact O-CA 3.33Å; T281-R324 PolarHBondContact N-O 2.87Å; T281-R324 PolarHBondContact O-N 2.96Å
282A93.7Very high73.4Confident0 Ų058.7 Ų58.70%038%0.383CS..EExtended strand (participates in β ladder)trans-75.1136.6165.500000109.1L266 E299 E300 L302 L310 K322L266-A282 HydrophobicContact CD1-CB 3.74Å; A282-E299 WeakPolarHBondContact O-CA 3.3Å; A282-E300 PolarHBondContact N-O 2.85Å; A282-E300 PolarHBondContact O-N 3.22Å; A282-L302 HydrophobicContact CB-CD1 3.98Å; A282-L302 HydrophobicContact CB-CD2 3.75Å; A282-L302 HydrophobicContact CB-CG 3.99Å; A282-L310 HydrophobicContact CB-CD1 4.37Å; A282-L310 HydrophobicContact CB-CD2 4.02Å; A282-K322 WeakPolarHBondContact CA-O 3.5Å
283L93.4Very high72.9Confident4 Ų466.2 Ų66.22%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-111.7125.9164.6-67.198.3000108.2W297 A298 E299 F321 K322 R324L283-W297 HydrophobicContact CB-CB 4.24Å; L283-W297 HydrophobicContact CB-CD2 4.26Å; L283-W297 HydrophobicContact CB-CE3 3.76Å; L283-W297 HydrophobicContact CB-CG 4.5Å; L283-W297 HydrophobicContact CB-CZ3 4.5Å; L283-W297 HydrophobicContact CD2-CB 3.92Å; L283-W297 HydrophobicContact CD2-CG 4.32Å; L283-A298 VanDerWaalsContact CA-O 3.29Å; L283-A298 WeakPolarHBondContact CA-O 3.48Å; L283-E299 HydrophobicContact CD2-CG 3.98Å; L283-E299 HydrophobicContact CG-CG 4.12Å; L283-F321 CarbonylContact O-C 3.52Å; L283-F321 WeakPolarHBondContact O-CA 3.2Å; L283-K322 HydrophobicContact CB-CB 4.26Å; L283-K322 PolarHBondContact N-O 3.05Å; L283-K322 PolarHBondContact O-N 2.84Å; L283-R324 HydrophobicContact CD1-CB 3.66Å
284F92.9Very high73.3Confident27 Ų2761.7 Ų61.712%0.11838%0.382CS..EExtended strand (participates in β ladder)trans-139.2152.8179.266.8-77.8000112.1A298 E300 L310 L313 Y319 E320 F321F284-A298 HydrophobicContact CD1-CB 4.12Å; F284-A298 HydrophobicContact CD2-CB 4.38Å; F284-A298 HydrophobicContact CE1-CB 3.72Å; F284-A298 HydrophobicContact CE2-CB 4.03Å; F284-A298 HydrophobicContact CG-CB 4.43Å; F284-A298 HydrophobicContact CZ-CB 3.68Å; F284-A298 PolarHBondContact N-O 2.85Å; F284-A298 PolarHBondContact O-N 2.75Å; F284-E300 HydrophobicContact CE1-CB 4.03Å; F284-L310 HydrophobicContact CB-CD2 4.3Å; F284-L310 HydrophobicContact CD1-CD1 4.18Å; F284-L310 HydrophobicContact CD1-CD2 3.86Å; F284-L310 HydrophobicContact CE1-CD1 3.94Å; F284-L310 HydrophobicContact CE1-CD2 4.4Å; F284-L310 HydrophobicContact CG-CD2 4.08Å; F284-L313 HydrophobicContact CD2-CD2 3.51Å; F284-L313 HydrophobicContact CE2-CD2 3.73Å; F284-L313 HydrophobicContact CG-CD2 4.34Å; F284-Y319 HydrophobicContact CD2-CD1 4.07Å; F284-Y319 AromaticContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CE2-CE1 4.46Å; F284-E320 VanDerWaalsContact CA-O 3.26Å; F284-E320 WeakPolarHBondContact CA-O 3.5Å; F284-F321 HydrophobicContact CB-CD1 3.7Å; F284-F321 HydrophobicContact CB-CE1 3.87Å
285R90.8Very high74.3Confident52 Ų5260.9 Ų60.920%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-158.8158174.861178.5-175.2166.46.5111.2G294 A295 W297 Y319 E320R285-G294 PolarHBondContact NH1-O 2.82Å; R285-A295 WeakPolarHBondContact CD-O 3.43Å; R285-A295 PolarHBondContact NH1-O 3.08Å; R285-W297 HydrophobicContact CB-CE3 4.44Å; R285-W297 HydrophobicContact CG-CD2 4.05Å; R285-W297 HydrophobicContact CG-CE3 3.86Å; R285-W297 HydrophobicContact CG-CH2 4.29Å; R285-W297 HydrophobicContact CG-CZ2 4.45Å; R285-W297 HydrophobicContact CG-CZ3 4Å; R285-W297 VanDerWaalsContact NE-CZ2 3.33Å; R285-Y319 VanDerWaalsContact C-CD1 3.45Å; R285-Y319 VanDerWaalsContact O-CA 3.29Å; R285-Y319 WeakPolarHBondContact O-CA 3.36Å; R285-Y319 VanDerWaalsContact O-CD1 3.31Å; R285-Y319 WeakPolarHBondContact O-CD1 3.35Å; R285-E320 HydrophobicContact CG-CB 4.19Å; R285-E320 IonicContact CZ-OE2 3.39Å; R285-E320 PolarHBondContact N-O 3.28Å; R285-E320 VanDerWaalsContact N-O 3.15Å; R285-E320 IonicContact NE-OE2 3.57Å; R285-E320 PolarHBondContact NE-OE2 2.86Å; R285-E320 IonicContact NH2-OE1 3.28Å; R285-E320 IonicContact NH2-OE2 2.68Å; R285-E320 PolarHBondContact NH2-OE2 2.85Å; R285-E320 PolarHBondContact O-N 3.48Å
286T87.8Confident75.7Confident47 Ų4762.9 Ų62.929%0.28838%0.382SS..EExtended strand (participates in β ladder)trans-68.2144.2168.147.10000110.9T288 Q317 D318 Y319T286-T288 PolarHBondContact O-N 2.82Å; T286-Q317 HydrophobicContact CG2-CB 4.29Å; T286-Q317 HydrophobicContact CG2-CG 4.42Å; T286-D318 CarbonylContact C-O 3.23Å; T286-D318 VanDerWaalsContact CA-O 3.29Å; T286-D318 WeakPolarHBondContact CA-O 3.48Å; T286-Y319 HydrophobicContact CG2-CD1 4.35Å; T286-Y319 HydrophobicContact CG2-CE1 3.8Å; T286-Y319 HydrophobicContact CG2-CE2 4.21Å
287Q80.3Confident76.9Confident87 Ų8761.6 Ų61.641%0.40737%0.365SS..  trans-77.4116177.7-173.5168.64100110.2D318Q287-D318 HydrophobicContact CB-CB 3.87Å; Q287-D318 PolarHBondContact N-O 2.78Å
288T66.9Low77.8Confident53 Ų5363.6 Ų63.633%0.32538%0.381SS..  trans-81.6161.8175.753.40000111.9T286 G294 A295T286-T288 PolarHBondContact O-N 2.82Å; T288-G294 VanDerWaalsContact OG1-CA 3.22Å; T288-G294 WeakPolarHBondContact OG1-CA 3.37Å; T288-A295 HydrophobicContact CG2-CB 4.15Å
289A59.2Low78.5Confident61 Ų6162 Ų6250%0.50437%0.374SS..  trans-60.3149.1174.900000111.8G291 D292A289-G291 PolarHBondContact O-N 2.98Å; A289-D292 PolarHBondContact O-N 2.76Å
290P51.6Low78.8Confident143 Ų14365.3 Ų65.393%0.92939%0.385SS*.THydrogen-bonded Turntrans-71.488.6-179.529.3-35.1000111.3
291G52.3Low78.8Confident77 Ų7770.6 Ų70.679%0.79441%0.414SS*.THydrogen-bonded Turntrans164.3-30.2178.400000113.2A289A289-G291 PolarHBondContact O-N 2.98Å
292D58.3Low78.7Confident114 Ų11470.4 Ų70.461%0.6141%0.412SS*.SBendtrans-79.6156-178.9-67.4-51.6000113.2A289 G294A289-D292 PolarHBondContact O-N 2.76Å; D292-G294 VanDerWaalsContact C-N 3.34Å; D292-G294 PolarHBondContact O-N 3.04Å
293Q58Low78.2Confident203 Ų20375.6 Ų75.695%0.94945%0.454SS*.  trans-68.394.9164.4-66.2-173.79.700108.3
294G63.3Low77.6Confident30 Ų3076.1 Ų76.131%0.30946%0.461SS..PPolyproline II helixtrans-57.9147.3-167.600000114.2R285 T288 D292R285-G294 PolarHBondContact NH1-O 2.82Å; T288-G294 VanDerWaalsContact OG1-CA 3.22Å; T288-G294 WeakPolarHBondContact OG1-CA 3.37Å; D292-G294 VanDerWaalsContact C-N 3.34Å; D292-G294 PolarHBondContact O-N 3.04Å
295A72.8Confident77Confident27 Ų2782.4 Ų82.422%0.22348%0.484CS..PPolyproline II helixtrans-47.9148.1-170.500000114R285 T288R285-A295 WeakPolarHBondContact CD-O 3.43Å; R285-A295 PolarHBondContact NH1-O 3.08Å; T288-A295 HydrophobicContact CG2-CB 4.15Å
296P86.6Confident76.8Confident120 Ų12086.3 Ų86.378%0.77951%0.505SS*.PPolyproline II helixtrans-60.4146.5173.727.6-35.1000110.5
297W89.2Confident76.9Confident69 Ų6986.1 Ų86.126%0.26151%0.505SS..PPolyproline II helixtrans-75.2127.3175.4-62.885.2000109.9L283 R285 E320 K322 V337L283-W297 HydrophobicContact CB-CB 4.24Å; L283-W297 HydrophobicContact CB-CD2 4.26Å; L283-W297 HydrophobicContact CB-CE3 3.76Å; L283-W297 HydrophobicContact CB-CG 4.5Å; L283-W297 HydrophobicContact CB-CZ3 4.5Å; L283-W297 HydrophobicContact CD2-CB 3.92Å; L283-W297 HydrophobicContact CD2-CG 4.32Å; R285-W297 HydrophobicContact CB-CE3 4.44Å; R285-W297 HydrophobicContact CG-CD2 4.05Å; R285-W297 HydrophobicContact CG-CE3 3.86Å; R285-W297 HydrophobicContact CG-CH2 4.29Å; R285-W297 HydrophobicContact CG-CZ2 4.45Å; R285-W297 HydrophobicContact CG-CZ3 4Å; R285-W297 VanDerWaalsContact NE-CZ2 3.33Å; W297-E320 HydrophobicContact CH2-CB 3.77Å; W297-E320 HydrophobicContact CZ3-CB 4Å; W297-K322 HydrophobicContact CH2-CD 3.82Å; W297-K322 HydrophobicContact CH2-CG 4.05Å; W297-K322 HydrophobicContact CZ2-CD 4.06Å; W297-K322 HydrophobicContact CZ3-CD 4.1Å; W297-K322 HydrophobicContact CZ3-CG 4.16Å; W297-V337 HydrophobicContact CH2-CG2 4.27Å
298A90.4Very high77.4Confident44 Ų4482.3 Ų82.336%0.36449%0.488SS..EExtended strand (participates in β ladder)trans-73.1137.9162.200000109L283 F284L283-A298 VanDerWaalsContact CA-O 3.29Å; L283-A298 WeakPolarHBondContact CA-O 3.48Å; F284-A298 HydrophobicContact CD1-CB 4.12Å; F284-A298 HydrophobicContact CD2-CB 4.38Å; F284-A298 HydrophobicContact CE1-CB 3.72Å; F284-A298 HydrophobicContact CE2-CB 4.03Å; F284-A298 HydrophobicContact CG-CB 4.43Å; F284-A298 HydrophobicContact CZ-CB 3.68Å; F284-A298 PolarHBondContact N-O 2.85Å; F284-A298 PolarHBondContact O-N 2.75Å
299E92.9Very high78.5Confident85 Ų8583.5 Ų83.540%0.39749%0.491SS..EExtended strand (participates in β ladder)trans-110.4126.3176.6-60.3-161.215700109.7T281 A282 L283 R324 R331T281-E299 HydrophobicContact CG2-CB 3.81Å; T281-E299 HydrophobicContact CG2-CG 4.44Å; A282-E299 WeakPolarHBondContact O-CA 3.3Å; L283-E299 HydrophobicContact CD2-CG 3.98Å; L283-E299 HydrophobicContact CG-CG 4.12Å; E299-R324 IonicContact OE1-CZ 3.21Å; E299-R324 IonicContact OE1-NH1 2.82Å; E299-R324 PolarHBondContact OE1-NH1 2.95Å; E299-R331 VanDerWaalsContact CD-NH1 3.29Å; E299-R331 IonicContact OE1-CZ 2.66Å; E299-R331 IonicContact OE1-NH1 3.17Å; E299-R331 PolarHBondContact OE1-NH1 3.07Å; E299-R331 IonicContact OE2-CZ 3.62Å; E299-R331 VanDerWaalsContact OE2-CZ 3.27Å; E299-R331 IonicContact OE2-NH1 3.78Å; E299-R331 PolarHBondContact OE2-NH1 2.88Å; E299-R331 IonicContact OE2-NH2 2.66Å; E299-R331 PolarHBondContact OE2-NH2 3.43Å
300E91.7Very high80Confident106 Ų10680.7 Ų80.750%0.49547%0.467SS..EExtended strand (participates in β ladder)trans-129.4138.2176.7178.768.616400110.8T281 A282 F284 L310T281-E300 CarbonylContact C-O 3.25Å; T281-E300 WeakPolarHBondContact CA-O 3.28Å; T281-E300 WeakPolarHBondContact CG2-O 3.29Å; A282-E300 PolarHBondContact N-O 2.85Å; A282-E300 PolarHBondContact O-N 3.22Å; F284-E300 HydrophobicContact CE1-CB 4.03Å; E300-L310 HydrophobicContact CB-CD1 3.84Å; E300-L310 HydrophobicContact CG-CD1 3.74Å
301L91.3Very high81.7Confident118 Ų11875.4 Ų75.462%0.61844%0.439SS*.EExtended strand (participates in β ladder)trans-82.7122.6-176.8-172.668.8000111.4
302L89.9Confident83.1Confident12 Ų1274.9 Ų74.96%0.06343%0.433CS..EExtended strand (participates in β ladder)trans-87.9128.4-176.6-59.4-179.4000111.9L266 W268 Y280 A282 G304 A308 V323L266-L302 HydrophobicContact CD1-CD1 4.13Å; L266-L302 HydrophobicContact CD1-CD2 4.31Å; W268-L302 HydrophobicContact CE3-CD1 4.39Å; W268-L302 HydrophobicContact CH2-CB 4.12Å; W268-L302 HydrophobicContact CH2-CD1 3.47Å; W268-L302 VanDerWaalsContact CH2-CD1 3.47Å; W268-L302 HydrophobicContact CH2-CG 4.42Å; W268-L302 HydrophobicContact CZ2-CD1 4.24Å; W268-L302 HydrophobicContact CZ3-CD1 3.56Å; Y280-L302 WeakPolarHBondContact O-CB 3.35Å; Y280-L302 PolarHBondContact O-N 2.99Å; A282-L302 HydrophobicContact CB-CD1 3.98Å; A282-L302 HydrophobicContact CB-CD2 3.75Å; A282-L302 HydrophobicContact CB-CG 3.99Å; L302-G304 PolarHBondContact O-N 2.86Å; L302-A308 HydrophobicContact CB-CB 3.87Å; L302-A308 HydrophobicContact CD1-CB 4.42Å; L302-A308 HydrophobicContact CD2-CB 4Å; L302-A308 HydrophobicContact CG-CB 4.32Å; L302-V323 HydrophobicContact CD1-CG1 4.05Å; L302-V323 HydrophobicContact CD1-CG2 4.06Å
303A83.2Confident84.5Confident108 Ų10869.8 Ų69.889%0.89341%0.406SS*.SBendtrans-77.66.3-179.100000114.9
304G80.4Confident85.8Confident16 Ų1664.8 Ų64.817%0.16538%0.382CS..  trans-133.5162.3-174.100000113.3W268 L302 S307W268-G304 VanDerWaalsContact CZ2-O 3.26Å; W268-G304 WeakPolarHBondContact CZ2-O 3.42Å; L302-G304 PolarHBondContact O-N 2.86Å; G304-S307 WeakPolarHBondContact CA-O 3.33Å
305W80.6Confident86.8Confident159 Ų15964.7 Ų64.760%0.60237%0.372SS*.SBendtrans-96.4-27.7-168.1-65.484.6000114.9W268 A277 Y280W268-W305 PolarHBondContact NE1-O 2.78Å; W268-W305 VanDerWaalsContact NE1-O 3.08Å; A277-W305 VanDerWaalsContact O-CZ3 3.27Å; A277-W305 WeakPolarHBondContact O-CZ3 3.42Å; Y280-W305 HydrophobicContact CE2-CE3 4.16Å; Y280-W305 VanDerWaalsContact CE2-O 3.3Å; Y280-W305 WeakPolarHBondContact CE2-O 3.33Å
306Q86.8Confident87.3Confident134 Ų13464.1 Ų64.163%0.62637%0.369SS*.SBendtrans-138-11.4179.8-67.5-179.4-11.900112.4S267 W268S267-Q306 CarbonylContact C-O 3.53Å; S267-Q306 WeakPolarHBondContact CA-O 3.37Å; W268-Q306 PolarHBondContact N-O 3.37Å; W268-Q306 VanDerWaalsContact O-O 3.12Å
307S89.5Confident87.2Confident42 Ų4262.3 Ų62.329%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-157.6153.9170.554.80000110.1W265 L266 W268 G304W265-S307 WeakPolarHBondContact CZ2-OG 3.49Å; L266-S307 CarbonylContact O-C 3.45Å; L266-S307 WeakPolarHBondContact O-CA 3.42Å; L266-S307 WeakPolarHBondContact O-CB 3.45Å; W268-S307 VanDerWaalsContact CZ3-CA 3.48Å; G304-S307 WeakPolarHBondContact CA-O 3.33Å
308A90.6Very high87.1Confident7 Ų760.9 Ų60.96%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-158.9156.9178.500000111.3L266 W268 L302L266-A308 PolarHBondContact N-O 3.36Å; L266-A308 PolarHBondContact O-N 3.09Å; W268-A308 HydrophobicContact CH2-CB 3.81Å; W268-A308 HydrophobicContact CZ3-CB 4.07Å; L302-A308 HydrophobicContact CB-CB 3.87Å; L302-A308 HydrophobicContact CD1-CB 4.42Å; L302-A308 HydrophobicContact CD2-CB 4Å; L302-A308 HydrophobicContact CG-CB 4.32Å
309E90.9Very high87.1Confident79 Ų7959.3 Ų59.337%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-82134.3166.1175.5171-174.900110.4L250 K259 A263 V264 W265L250-E309 HydrophobicContact CD1-CB 4.04Å; L250-E309 HydrophobicContact CD1-CG 3.56Å; K259-E309 IonicContact NZ-OE1 2.7Å; K259-E309 PolarHBondContact NZ-OE1 3.36Å; K259-E309 IonicContact NZ-OE2 2.79Å; K259-E309 PolarHBondContact NZ-OE2 3.21Å; A263-E309 HydrophobicContact CB-CG 4.09Å; A263-E309 VanDerWaalsContact CB-OE1 3.25Å; A263-E309 WeakPolarHBondContact CB-OE1 3.06Å; V264-E309 WeakPolarHBondContact O-CA 3.38Å; W265-E309 HydrophobicContact CE3-CB 4.05Å; W265-E309 HydrophobicContact CZ3-CB 4.19Å
310L90.6Very high87.1Confident1 Ų156.7 Ų56.71%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-116.3122.9170.817462000108.8A263 V264 L266 A282 F284 E300 F321A263-L310 CarbonylContact C-O 3.37Å; A263-L310 VanDerWaalsContact CA-O 3.27Å; A263-L310 WeakPolarHBondContact CA-O 3.48Å; V264-L310 PolarHBondContact N-O 2.81Å; V264-L310 PolarHBondContact O-N 2.81Å; L266-L310 HydrophobicContact CD1-CB 4.13Å; L266-L310 HydrophobicContact CD1-CD2 4.02Å; L266-L310 HydrophobicContact CG-CB 4.39Å; A282-L310 HydrophobicContact CB-CD1 4.37Å; A282-L310 HydrophobicContact CB-CD2 4.02Å; F284-L310 HydrophobicContact CB-CD2 4.3Å; F284-L310 HydrophobicContact CD1-CD1 4.18Å; F284-L310 HydrophobicContact CD1-CD2 3.86Å; F284-L310 HydrophobicContact CE1-CD1 3.94Å; F284-L310 HydrophobicContact CE1-CD2 4.4Å; F284-L310 HydrophobicContact CG-CD2 4.08Å; E300-L310 HydrophobicContact CB-CD1 3.84Å; E300-L310 HydrophobicContact CG-CD1 3.74Å; L310-F321 HydrophobicContact CD2-CD1 3.83Å; L310-F321 HydrophobicContact CD2-CE1 3.7Å
311G86.9Confident87.2Confident33 Ų3351.6 Ų51.634%0.3430%0.297SS..  trans-101.1-161.6175.200000112.9L313G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 3.21Å
312G82.4Confident87.3Confident65 Ų6547.8 Ų47.867%0.6728%0.275SS*.  trans73.215170.400000115.8
313L86.9Confident87.4Confident7 Ų747.2 Ų47.24%0.03727%0.272CS..  trans-87.6173.6179.8-58.5169.6000111.3P262 V264 F284 G311 Y319 F321 L342P262-L313 HydrophobicContact CB-CB 4.4Å; P262-L313 WeakPolarHBondContact CD-O 3.39Å; P262-L313 HydrophobicContact CG-CB 3.98Å; P262-L313 WeakPolarHBondContact CG-O 3.18Å; V264-L313 HydrophobicContact CB-CD1 3.93Å; V264-L313 HydrophobicContact CG2-CD1 3.42Å; V264-L313 VanDerWaalsContact CG2-CD1 3.42Å; F284-L313 HydrophobicContact CD2-CD2 3.51Å; F284-L313 HydrophobicContact CE2-CD2 3.73Å; F284-L313 HydrophobicContact CG-CD2 4.34Å; G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 3.21Å; L313-Y319 HydrophobicContact CB-CE2 4.26Å; L313-Y319 HydrophobicContact CD2-CD1 3.77Å; L313-Y319 HydrophobicContact CD2-CD2 4.33Å; L313-Y319 HydrophobicContact CD2-CE1 3.61Å; L313-Y319 HydrophobicContact CD2-CE2 4.16Å; L313-Y319 HydrophobicContact CD2-CG 4.15Å; L313-F321 HydrophobicContact CD1-CE1 4.16Å; L313-F321 HydrophobicContact CD1-CZ 4.04Å; L313-F321 HydrophobicContact CD2-CE1 4.08Å; L313-F321 HydrophobicContact CD2-CZ 4.2Å; L313-L342 HydrophobicContact CB-CD1 3.87Å; L313-L342 HydrophobicContact CD1-CD1 4.31Å
314H84.6Confident87.8Confident98 Ų9843.8 Ų43.845%0.45424%0.236SC..  trans-121.1141.1176.1-68.3-86.9000111.5Q317 Y319 L342H314-Q317 HydrophobicContact CB-CG 4.16Å; H314-Y319 PolarHBondContact N-OH 3.17Å; H314-L342 WeakPolarHBondContact O-CD1 3.31Å
315W85.1Confident88.1Confident28 Ų2843 Ų4311%0.10623%0.228CC..THydrogen-bonded Turntrans-67150.3179.6-63.5104.2000112.2L249 P262 Q317 P343 K345 N376L249-W315 HydrophobicContact CD1-CH2 4.34Å; L249-W315 HydrophobicContact CD1-CZ3 4.17Å; L249-W315 HydrophobicContact CD2-CZ3 4.39Å; P262-W315 HydrophobicContact CB-CD2 3.91Å; P262-W315 HydrophobicContact CB-CE3 4.01Å; P262-W315 HydrophobicContact CB-CH2 3.69Å; P262-W315 HydrophobicContact CB-CZ2 3.57Å; P262-W315 HydrophobicContact CB-CZ3 3.91Å; P262-W315 HydrophobicContact CG-CD2 3.77Å; P262-W315 HydrophobicContact CG-CE3 4.28Å; P262-W315 HydrophobicContact CG-CG 4.02Å; P262-W315 HydrophobicContact CG-CZ2 4.06Å; W315-Q317 PolarHBondContact O-N 2.83Å; W315-P343 HydrophobicContact CE3-CG 4.11Å; W315-P343 HydrophobicContact CZ3-CG 3.99Å; W315-K345 HydrophobicContact CB-CB 4.46Å; W315-K345 HydrophobicContact CB-CG 4.48Å; W315-K345 HydrophobicContact CD2-CD 3.66Å; W315-K345 HydrophobicContact CD2-CG 4.06Å; W315-K345 VanDerWaalsContact CE2-CE 3.5Å; W315-K345 VanDerWaalsContact CE2-NZ 3.33Å; W315-K345 HydrophobicContact CE3-CD 4.09Å; W315-K345 HydrophobicContact CE3-CG 4.18Å; W315-K345 HydrophobicContact CG-CB 4.48Å; W315-K345 HydrophobicContact CG-CD 3.92Å; W315-K345 HydrophobicContact CG-CG 4.17Å; W315-K345 HydrophobicContact CZ2-CD 4.31Å; W315-N376 CarbonylContact C-O 3.49Å; W315-N376 HydrophobicContact CB-CB 3.92Å; W315-N376 CarbonylContact O-C 3.58Å; W315-N376 VanDerWaalsContact O-C 3.26Å
316G82.1Confident88.3Confident15 Ų1536 Ų3616%0.15520%0.204CC..THydrogen-bonded Turntrans65.418.4177.300000116L342 P343G316-L342 WeakPolarHBondContact CA-O 3.43Å; G316-P343 PolarHBondContact N-O 3.46Å
317Q85.1Confident87.9Confident83 Ų8331.3 Ų31.339%0.38819%0.185SC..  trans-109.5145.8177.4-71.5-70.7-16.500111T286 H314 W315 Y319 L342T286-Q317 HydrophobicContact CG2-CB 4.29Å; T286-Q317 HydrophobicContact CG2-CG 4.42Å; H314-Q317 HydrophobicContact CB-CG 4.16Å; W315-Q317 PolarHBondContact O-N 2.83Å; Q317-Y319 HydrophobicContact CB-CD2 4.03Å; Q317-Y319 HydrophobicContact CB-CE2 3.55Å; Q317-L342 WeakPolarHBondContact O-CB 3.27Å; Q317-L342 PolarHBondContact O-N 2.96Å
318D87.3Confident87.1Confident38 Ų3832.3 Ų32.320%0.20320%0.202CC..EExtended strand (participates in β ladder)trans-86.5128.2169.7-74-25.1000109.6T286 Q287 R341T286-D318 CarbonylContact C-O 3.23Å; T286-D318 VanDerWaalsContact CA-O 3.29Å; T286-D318 WeakPolarHBondContact CA-O 3.48Å; Q287-D318 HydrophobicContact CB-CB 3.87Å; Q287-D318 PolarHBondContact N-O 2.78Å; D318-R341 VanDerWaalsContact OD1-CA 3.26Å; D318-R341 WeakPolarHBondContact OD1-CA 3.41Å; D318-R341 WeakPolarHBondContact OD1-CB 3.38Å; D318-R341 WeakPolarHBondContact OD1-CD 3.25Å; D318-R341 WeakPolarHBondContact OD1-CG 3.35Å; D318-R341 IonicContact OD1-CZ 2.66Å; D318-R341 IonicContact OD1-NE 3.8Å; D318-R341 PolarHBondContact OD1-NE 2.93Å; D318-R341 IonicContact OD1-NH2 3.71Å; D318-R341 IonicContact OD2-CZ 2.71Å; D318-R341 IonicContact OD2-NE 3.41Å; D318-R341 PolarHBondContact OD2-NE 2.88Å; D318-R341 IonicContact OD2-NH2 3.59Å; D318-R341 PolarHBondContact OD2-NH2 2.83Å
319Y90.5Very high86Confident11 Ų1144 Ų444%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-120.7138.8179.2-80-93000112.6F284 R285 T286 L313 H314 Q317 F321 L339 L340 L342F284-Y319 HydrophobicContact CD2-CD1 4.07Å; F284-Y319 AromaticContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CE2-CE1 4.46Å; R285-Y319 VanDerWaalsContact C-CD1 3.45Å; R285-Y319 VanDerWaalsContact O-CA 3.29Å; R285-Y319 WeakPolarHBondContact O-CA 3.36Å; R285-Y319 VanDerWaalsContact O-CD1 3.31Å; R285-Y319 WeakPolarHBondContact O-CD1 3.35Å; T286-Y319 HydrophobicContact CG2-CD1 4.35Å; T286-Y319 HydrophobicContact CG2-CE1 3.8Å; T286-Y319 HydrophobicContact CG2-CE2 4.21Å; L313-Y319 HydrophobicContact CB-CE2 4.26Å; L313-Y319 HydrophobicContact CD2-CD1 3.77Å; L313-Y319 HydrophobicContact CD2-CD2 4.33Å; L313-Y319 HydrophobicContact CD2-CE1 3.61Å; L313-Y319 HydrophobicContact CD2-CE2 4.16Å; L313-Y319 HydrophobicContact CD2-CG 4.15Å; H314-Y319 PolarHBondContact N-OH 3.17Å; Q317-Y319 HydrophobicContact CB-CD2 4.03Å; Q317-Y319 HydrophobicContact CB-CE2 3.55Å; Y319-F321 HydrophobicContact CG-CE2 4.36Å; Y319-F321 HydrophobicContact CG-CZ 4.05Å; Y319-L339 VanDerWaalsContact O-CA 3.31Å; Y319-L339 WeakPolarHBondContact O-CA 3.35Å; Y319-L340 PolarHBondContact N-O 2.88Å; Y319-L340 PolarHBondContact O-N 2.8Å; Y319-L342 HydrophobicContact CD2-CD1 3.64Å; Y319-L342 HydrophobicContact CD2-CG 4.38Å; Y319-L342 HydrophobicContact CE2-CD1 3.68Å
320E92.8Very high85.1Confident30 Ų3041.1 Ų41.114%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-93.2137163.8-63-176.4168.600109.5F284 R285 W297 V337 L339F284-E320 VanDerWaalsContact CA-O 3.26Å; F284-E320 WeakPolarHBondContact CA-O 3.5Å; R285-E320 HydrophobicContact CG-CB 4.19Å; R285-E320 IonicContact CZ-OE2 3.39Å; R285-E320 PolarHBondContact N-O 3.28Å; R285-E320 VanDerWaalsContact N-O 3.15Å; R285-E320 IonicContact NE-OE2 3.57Å; R285-E320 PolarHBondContact NE-OE2 2.86Å; R285-E320 IonicContact NH2-OE1 3.28Å; R285-E320 IonicContact NH2-OE2 2.68Å; R285-E320 PolarHBondContact NH2-OE2 2.85Å; R285-E320 PolarHBondContact O-N 3.48Å; W297-E320 HydrophobicContact CH2-CB 3.77Å; W297-E320 HydrophobicContact CZ3-CB 4Å; E320-V337 HydrophobicContact CB-CG1 3.9Å; E320-V337 HydrophobicContact CG-CG1 4.23Å; E320-L339 HydrophobicContact CG-CD2 3.98Å; E320-L339 HydrophobicContact CG-CG 4.17Å
321F93.4Very high84.6Confident0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-128.3140.9179.4-60.1-92.1000111.7L244 V247 L266 L283 F284 L310 L313 Y319 V337 L338 L340L244-F321 HydrophobicContact CD2-CB 4.1Å; V247-F321 HydrophobicContact CG1-CD2 3.73Å; V247-F321 HydrophobicContact CG1-CE2 3.94Å; V247-F321 HydrophobicContact CG1-CG 4.11Å; V247-F321 HydrophobicContact CG1-CZ 4.5Å; V247-F321 HydrophobicContact CG2-CB 4.34Å; L266-F321 HydrophobicContact CD2-CB 4.42Å; L266-F321 HydrophobicContact CD2-CD1 4.08Å; L266-F321 HydrophobicContact CD2-CG 4.34Å; L283-F321 CarbonylContact O-C 3.52Å; L283-F321 WeakPolarHBondContact O-CA 3.2Å; F284-F321 HydrophobicContact CB-CD1 3.7Å; F284-F321 HydrophobicContact CB-CE1 3.87Å; L310-F321 HydrophobicContact CD2-CD1 3.83Å; L310-F321 HydrophobicContact CD2-CE1 3.7Å; L313-F321 HydrophobicContact CD1-CE1 4.16Å; L313-F321 HydrophobicContact CD1-CZ 4.04Å; L313-F321 HydrophobicContact CD2-CE1 4.08Å; L313-F321 HydrophobicContact CD2-CZ 4.2Å; Y319-F321 HydrophobicContact CG-CE2 4.36Å; Y319-F321 HydrophobicContact CG-CZ 4.05Å; F321-V337 VanDerWaalsContact O-CA 3.3Å; F321-V337 WeakPolarHBondContact O-CA 3.4Å; F321-L338 PolarHBondContact N-O 2.78Å; F321-L338 PolarHBondContact O-N 2.81Å; F321-L340 HydrophobicContact CD2-CB 4.44Å; F321-L340 HydrophobicContact CE2-CB 3.84Å
322K93.4Very high84.4Confident38 Ų3846 Ų4617%0.16525%0.246CC..EExtended strand (participates in β ladder)trans-135.1164.3166.5-68.5168156.7-173.30109.8A282 L283 W297 D334 S335 V337A282-K322 WeakPolarHBondContact CA-O 3.5Å; L283-K322 HydrophobicContact CB-CB 4.26Å; L283-K322 PolarHBondContact N-O 3.05Å; L283-K322 PolarHBondContact O-N 2.84Å; W297-K322 HydrophobicContact CH2-CD 3.82Å; W297-K322 HydrophobicContact CH2-CG 4.05Å; W297-K322 HydrophobicContact CZ2-CD 4.06Å; W297-K322 HydrophobicContact CZ3-CD 4.1Å; W297-K322 HydrophobicContact CZ3-CG 4.16Å; K322-D334 HydrophobicContact CD-CB 4.09Å; K322-D334 WeakPolarHBondContact CD-OD2 3.47Å; K322-D334 IonicContact NZ-OD2 3.43Å; K322-D334 PolarHBondContact NZ-OD2 3.39Å; K322-S335 VanDerWaalsContact CA-OG 3.25Å; K322-S335 WeakPolarHBondContact CA-OG 3.32Å; K322-V337 HydrophobicContact CD-CG2 4.24Å; K322-V337 HydrophobicContact CG-CG2 3.86Å
323V92.4Very high84.5Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-126.2139.9166-179.70000109.3I242 L244 L266 W268 Y280 T281 L302 S335I242-V323 HydrophobicContact CD1-CG1 4.01Å; I242-V323 WeakPolarHBondContact CG2-O 3.33Å; L244-V323 HydrophobicContact CD1-CG2 3.9Å; L266-V323 HydrophobicContact CD1-CG2 4.18Å; W268-V323 HydrophobicContact CD2-CG1 4.11Å; W268-V323 HydrophobicContact CD2-CG2 4.38Å; W268-V323 HydrophobicContact CE3-CG1 4.43Å; W268-V323 HydrophobicContact CE3-CG2 4.03Å; W268-V323 HydrophobicContact CG-CG1 4.39Å; Y280-V323 HydrophobicContact CD1-CG1 4.29Å; T281-V323 CarbonylContact O-C 3.52Å; T281-V323 WeakPolarHBondContact O-CA 3.33Å; L302-V323 HydrophobicContact CD1-CG1 4.05Å; L302-V323 HydrophobicContact CD1-CG2 4.06Å; V323-S335 PolarHBondContact N-OG 3.43Å; V323-S335 WeakPolarHBondContact O-CB 3.5Å; V323-S335 PolarHBondContact O-N 2.88Å
324R90.8Very high84.7Confident35 Ų3548.3 Ų48.313%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-119.8131.9177.3-175.1-176.7-64.2140.70.1110.4Y280 T281 L283 E299 G332 D334Y280-R324 CarbonylContact C-O 3.56Å; Y280-R324 WeakPolarHBondContact CA-O 3.41Å; T281-R324 PolarHBondContact N-O 2.87Å; T281-R324 PolarHBondContact O-N 2.96Å; L283-R324 HydrophobicContact CD1-CB 3.66Å; E299-R324 IonicContact OE1-CZ 3.21Å; E299-R324 IonicContact OE1-NH1 2.82Å; E299-R324 PolarHBondContact OE1-NH1 2.95Å; R324-G332 VanDerWaalsContact CG-O 3.27Å; R324-G332 WeakPolarHBondContact CG-O 3.02Å; R324-D334 IonicContact CZ-OD1 2.74Å; R324-D334 IonicContact NE-OD1 2.71Å; R324-D334 PolarHBondContact NE-OD1 3.11Å; R324-D334 IonicContact NH2-OD1 3.94Å; R324-D334 PolarHBondContact NH2-OD1 2.91Å; R324-D334 IonicContact NH2-OD2 3.96Å
325P88.5Confident85Confident0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-78.6144.6171.828.6-26.4000111.7L237 V240 I242 A277 Y280 G332 P333L237-P325 HydrophobicContact CD1-CB 4.48Å; V240-P325 HydrophobicContact CG1-CB 4.32Å; V240-P325 HydrophobicContact CG1-CG 4.16Å; I242-P325 HydrophobicContact CD1-CB 4.36Å; I242-P325 HydrophobicContact CD1-CG 4.46Å; A277-P325 HydrophobicContact CB-CB 3.5Å; A277-P325 VanDerWaalsContact CB-CB 3.5Å; Y280-P325 HydrophobicContact CD1-CB 4.11Å; Y280-P325 HydrophobicContact CE1-CB 3.93Å; P325-G332 PolarHBondContact O-N 3.49Å; P325-P333 WeakPolarHBondContact CD-O 3.46Å
326S83.1Confident85.3Confident13 Ų1345.6 Ų45.69%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-137.1150.5175.941.60000112.8A277 Q278 S279 A330A277-S326 CarbonylContact C-O 3.55Å; Q278-S326 PolarHBondContact N-O 2.95Å; S279-S326 PolarHBondContact N-O 3.05Å; S279-S326 PolarHBondContact O-N 3.1Å; S279-S326 PolarHBondContact O-OG 3.03Å; S279-S326 PolarHBondContact OG-O 2.97Å; S279-S326 PolarHBondContact OG-OG 3.19Å; S326-A330 VanDerWaalsContact CA-O 3.29Å; S326-A330 WeakPolarHBondContact CA-O 3.4Å
327S78.8Confident85.7Confident35 Ų3547.4 Ų47.425%0.24525%0.246CC..EExtended strand (participates in β ladder)trans-147.1111.4179.4-168.90000110.1R329 A330S327-R329 PolarHBondContact O-N 2.81Å; S327-R329 VanDerWaalsContact O-N 3.11Å; S327-A330 PolarHBondContact N-O 2.93Å; S327-A330 WeakPolarHBondContact O-CB 3.48Å; S327-A330 PolarHBondContact O-N 3.42Å
328G73.9Confident86.1Confident63 Ų6345.9 Ų45.965%0.64924%0.24SC*.THydrogen-bonded Turntrans54.8-114.4-16700000111.4
329R67Low86.2Confident251 Ų25148.8 Ų48.895%0.94726%0.255SS*.THydrogen-bonded Turntrans-93.7-11.3173.9-61.6-174.2-177.3-171.21.2114S327S327-R329 PolarHBondContact O-N 2.81Å; S327-R329 VanDerWaalsContact O-N 3.11Å
330A71Confident86.2Confident19 Ų1949.9 Ų49.916%0.15726%0.262CS..EExtended strand (participates in β ladder)trans-74.5135.8-17900000111.5V235 S326 S327V235-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 VanDerWaalsContact CA-O 3.29Å; S326-A330 WeakPolarHBondContact CA-O 3.4Å; S327-A330 PolarHBondContact N-O 2.93Å; S327-A330 WeakPolarHBondContact O-CB 3.48Å; S327-A330 PolarHBondContact O-N 3.42Å
331R81.6Confident86Confident127 Ų12757.3 Ų57.348%0.47929%0.288SS..EExtended strand (participates in β ladder)trans-109.4131.2172-72.6-179.3173.4-134.3-9.7108.4E299E299-R331 VanDerWaalsContact CD-NH1 3.29Å; E299-R331 IonicContact OE1-CZ 2.66Å; E299-R331 IonicContact OE1-NH1 3.17Å; E299-R331 PolarHBondContact OE1-NH1 3.07Å; E299-R331 IonicContact OE2-CZ 3.62Å; E299-R331 VanDerWaalsContact OE2-CZ 3.27Å; E299-R331 IonicContact OE2-NH1 3.78Å; E299-R331 PolarHBondContact OE2-NH1 2.88Å; E299-R331 IonicContact OE2-NH2 2.66Å; E299-R331 PolarHBondContact OE2-NH2 3.43Å
332G80.8Confident85.8Confident10 Ų1057.5 Ų57.510%0.10329%0.289CS..  trans-94.7-176.1172.800000113R324 P325R324-G332 VanDerWaalsContact CG-O 3.27Å; R324-G332 WeakPolarHBondContact CG-O 3.02Å; P325-G332 PolarHBondContact O-N 3.49Å
333P86.2Confident85.4Confident64 Ų6458.6 Ų58.642%0.41630%0.3SS..PPolyproline II helixtrans-70.4145-177.929.1-35.3000112.8V240 P325V240-P333 VanDerWaalsContact O-CG 3.28Å; V240-P333 WeakPolarHBondContact O-CG 3.38Å; P325-P333 WeakPolarHBondContact CD-O 3.46Å
334D89.6Confident85.2Confident56 Ų5661 Ų6130%0.29931%0.312SS..PPolyproline II helixtrans-61.1151.3172.5-71.33.1000112.3K322 R324K322-D334 HydrophobicContact CD-CB 4.09Å; K322-D334 WeakPolarHBondContact CD-OD2 3.47Å; K322-D334 IonicContact NZ-OD2 3.43Å; K322-D334 PolarHBondContact NZ-OD2 3.39Å; R324-D334 IonicContact CZ-OD1 2.74Å; R324-D334 IonicContact NE-OD1 2.71Å; R324-D334 PolarHBondContact NE-OD1 3.11Å; R324-D334 IonicContact NH2-OD1 3.94Å; R324-D334 PolarHBondContact NH2-OD1 2.91Å; R324-D334 IonicContact NH2-OD2 3.96Å
335S91.8Very high85Confident8 Ų863.4 Ų63.46%0.05632%0.323CS..PPolyproline II helixtrans-66.3170.9165.373.30000113.1K322 V323K322-S335 VanDerWaalsContact CA-OG 3.25Å; K322-S335 WeakPolarHBondContact CA-OG 3.32Å; V323-S335 PolarHBondContact N-OG 3.43Å; V323-S335 WeakPolarHBondContact O-CB 3.5Å; V323-S335 PolarHBondContact O-N 2.88Å
336N91.2Very high85Confident62 Ų6266.3 Ų66.333%0.33234%0.341SS..PPolyproline II helixtrans-51.2148153.258.8-71.8000111.2Q243 L244Q243-N336 WeakPolarHBondContact CA-OD1 3.3Å; Q243-N336 WeakPolarHBondContact CG-OD1 3.4Å; L244-N336 PolarHBondContact N-OD1 3.23Å; L244-N336 PolarHBondContact O-ND2 3.35Å
337V91.4Very high85.4Confident52 Ų5265.9 Ų65.932%0.31534%0.337SS..PPolyproline II helixtrans-73.1137.3167.2-177.80000108.8W297 E320 F321 K322 L339W297-V337 HydrophobicContact CH2-CG2 4.27Å; E320-V337 HydrophobicContact CB-CG1 3.9Å; E320-V337 HydrophobicContact CG-CG1 4.23Å; F321-V337 VanDerWaalsContact O-CA 3.3Å; F321-V337 WeakPolarHBondContact O-CA 3.4Å; K322-V337 HydrophobicContact CD-CG2 4.24Å; K322-V337 HydrophobicContact CG-CG2 3.86Å; V337-L339 HydrophobicContact CG1-CD1 4.09Å; V337-L339 HydrophobicContact CG1-CG 4.33Å
338L91.9Very high85.8Confident52 Ų5267.1 Ų67.127%0.27235%0.346SS..EExtended strand (participates in β ladder)trans-116.8149.3155.3-71.1-171.9000109L244 V247 F321L244-L338 HydrophobicContact CD2-CB 4.19Å; L244-L338 HydrophobicContact CD2-CG 4.39Å; L244-L338 HydrophobicContact CG-CD1 4.11Å; L244-L338 HydrophobicContact CG-CG 4.29Å; L244-L338 WeakPolarHBondContact O-CD1 3.46Å; V247-L338 HydrophobicContact CG2-CB 3.72Å; V247-L338 HydrophobicContact CG2-CD1 3.97Å; V247-L338 HydrophobicContact CG2-CG 4.43Å; F321-L338 PolarHBondContact N-O 2.78Å; F321-L338 PolarHBondContact O-N 2.81Å
339L90.8Very high86.6Confident98 Ų9864.9 Ų64.951%0.51332%0.322SS..EExtended strand (participates in β ladder)trans-113.3138.1179.8-62.792.8000109.9Y319 E320 V337Y319-L339 VanDerWaalsContact O-CA 3.31Å; Y319-L339 WeakPolarHBondContact O-CA 3.35Å; E320-L339 HydrophobicContact CG-CD2 3.98Å; E320-L339 HydrophobicContact CG-CG 4.17Å; V337-L339 HydrophobicContact CG1-CD1 4.09Å; V337-L339 HydrophobicContact CG1-CG 4.33Å
340L90.4Very high87.8Confident35 Ų3554.7 Ų54.718%0.18329%0.288CS..EExtended strand (participates in β ladder)trans-130.2122.1170.3-176.769000109.9V247 L249 V264 Y319 F321 L342V247-L340 HydrophobicContact CG1-CB 3.89Å; V247-L340 HydrophobicContact CG1-CD2 4.09Å; L249-L340 HydrophobicContact CB-CD2 4.36Å; V264-L340 HydrophobicContact CG1-CD2 4.15Å; V264-L340 HydrophobicContact CG2-CD2 3.72Å; Y319-L340 PolarHBondContact N-O 2.88Å; Y319-L340 PolarHBondContact O-N 2.8Å; F321-L340 HydrophobicContact CD2-CB 4.44Å; F321-L340 HydrophobicContact CE2-CB 3.84Å; L340-L342 HydrophobicContact CD2-CD2 4.11Å
341R88.4Confident88.9Confident186 Ų18654.1 Ų54.170%0.70228%0.282SS*.EExtended strand (participates in β ladder)trans-78.7112.2166.3176159.8-67.2154.83.7108.8D318D318-R341 VanDerWaalsContact OD1-CA 3.26Å; D318-R341 WeakPolarHBondContact OD1-CA 3.41Å; D318-R341 WeakPolarHBondContact OD1-CB 3.38Å; D318-R341 WeakPolarHBondContact OD1-CD 3.25Å; D318-R341 WeakPolarHBondContact OD1-CG 3.35Å; D318-R341 IonicContact OD1-CZ 2.66Å; D318-R341 IonicContact OD1-NE 3.8Å; D318-R341 PolarHBondContact OD1-NE 2.93Å; D318-R341 IonicContact OD1-NH2 3.71Å; D318-R341 IonicContact OD2-CZ 2.71Å; D318-R341 IonicContact OD2-NE 3.41Å; D318-R341 PolarHBondContact OD2-NE 2.88Å; D318-R341 IonicContact OD2-NH2 3.59Å; D318-R341 PolarHBondContact OD2-NH2 2.83Å
342L88Confident89.4Confident3 Ų352.7 Ų52.72%0.01628%0.281CS..PPolyproline II helixtrans-74.8140172.4-67.7169.8000109.4L249 P262 V264 L313 H314 G316 Q317 Y319 L340L249-L342 HydrophobicContact CD1-CD2 3.8Å; P262-L342 HydrophobicContact CB-CD1 4.37Å; P262-L342 HydrophobicContact CB-CD2 4.41Å; P262-L342 HydrophobicContact CG-CD1 4.32Å; V264-L342 HydrophobicContact CG2-CD2 4.14Å; L313-L342 HydrophobicContact CB-CD1 3.87Å; L313-L342 HydrophobicContact CD1-CD1 4.31Å; H314-L342 WeakPolarHBondContact O-CD1 3.31Å; G316-L342 WeakPolarHBondContact CA-O 3.43Å; Q317-L342 WeakPolarHBondContact O-CB 3.27Å; Q317-L342 PolarHBondContact O-N 2.96Å; Y319-L342 HydrophobicContact CD2-CD1 3.64Å; Y319-L342 HydrophobicContact CD2-CG 4.38Å; Y319-L342 HydrophobicContact CE2-CD1 3.68Å; L340-L342 HydrophobicContact CD2-CD2 4.11Å
343P86.2Confident89.9Confident61 Ų6159.3 Ų59.340%0.39631%0.31SS..PPolyproline II helixtrans-64.8142.6177.627.7-34000110.1L249 W315 G316L249-P343 HydrophobicContact CD2-CG 3.8Å; W315-P343 HydrophobicContact CE3-CG 4.11Å; W315-P343 HydrophobicContact CZ3-CG 3.99Å; G316-P343 PolarHBondContact N-O 3.46Å
344E87.4Confident90.2Very high51 Ų5157 Ų5724%0.23829%0.294CS..PPolyproline II helixtrans-61.6144.9166.5-64.8178.7-118.900109.6N376 I378 R380 G425 A426E344-N376 CarbonylContact C-O 3.58Å; E344-N376 WeakPolarHBondContact CA-O 3.28Å; E344-I378 PolarHBondContact OE2-N 3.15Å; E344-R380 IonicContact OE1-CZ 3.92Å; E344-R380 IonicContact OE1-NE 3.86Å; E344-R380 IonicContact OE1-NH2 2.68Å; E344-R380 PolarHBondContact OE1-NH2 3.07Å; E344-R380 IonicContact OE2-NE 3.61Å; E344-R380 IonicContact OE2-NH2 3.67Å; E344-G425 WeakPolarHBondContact OE2-CA 3.3Å; E344-G425 PolarHBondContact OE2-N 3.35Å; E344-A426 HydrophobicContact CB-CB 4.43Å
345K87.4Confident90.3Very high85 Ų8557.1 Ų57.137%0.3730%0.297SS..  trans-117.4171.4162.1-72.8-174176.7179.10109.5W315 N376 T424 A426W315-K345 HydrophobicContact CB-CB 4.46Å; W315-K345 HydrophobicContact CB-CG 4.48Å; W315-K345 HydrophobicContact CD2-CD 3.66Å; W315-K345 HydrophobicContact CD2-CG 4.06Å; W315-K345 VanDerWaalsContact CE2-CE 3.5Å; W315-K345 VanDerWaalsContact CE2-NZ 3.33Å; W315-K345 HydrophobicContact CE3-CD 4.09Å; W315-K345 HydrophobicContact CE3-CG 4.18Å; W315-K345 HydrophobicContact CG-CB 4.48Å; W315-K345 HydrophobicContact CG-CD 3.92Å; W315-K345 HydrophobicContact CG-CG 4.17Å; W315-K345 HydrophobicContact CZ2-CD 4.31Å; K345-N376 HydrophobicContact CB-CB 3.94Å; K345-N376 PolarHBondContact N-O 3.01Å; K345-T424 PolarHBondContact O-OG1 2.96Å; K345-A426 VanDerWaalsContact C-CB 3.49Å
346V88.9Confident90.2Very high62 Ų6257.7 Ų57.738%0.37630%0.299SS..  trans-66.4148.3172.6-600000110.4S348 N376 A426 A428V346-S348 PolarHBondContact O-N 2.79Å; V346-N376 PolarHBondContact O-ND2 3.35Å; V346-A426 HydrophobicContact CG1-CB 4.12Å; V346-A428 WeakPolarHBondContact CG1-O 3.46Å
347P91.1Very high90Very high3 Ų360.3 Ų60.32%0.01931%0.308CS..  trans-57.3131.6175.8-28.736.7000112.3A349 N374 I379 A422 T424 G429 E430P347-A349 VanDerWaalsContact C-N 3.32Å; P347-N374 CarbonylContact C-O 3.59Å; P347-N374 VanDerWaalsContact CA-O 3.29Å; P347-N374 WeakPolarHBondContact CA-O 2.93Å; P347-I379 HydrophobicContact CG-CD1 3.79Å; P347-A422 HydrophobicContact CB-CB 4.29Å; P347-A422 HydrophobicContact CG-CB 3.93Å; P347-T424 HydrophobicContact CG-CG2 3.74Å; P347-G429 VanDerWaalsContact O-CA 3.26Å; P347-G429 WeakPolarHBondContact O-CA 3.46Å; P347-E430 PolarHBondContact O-N 3.14Å
348S87.8Confident89.6Confident62 Ų6261.9 Ų61.943%0.43432%0.319SS..SBendtrans-91.19.9-177.349.80000114V346 N374 N376V346-S348 PolarHBondContact O-N 2.79Å; S348-N374 PolarHBondContact N-O 2.83Å; S348-N374 PolarHBondContact OG-O 3.21Å; S348-N374 PolarHBondContact OG-OD1 2.89Å; S348-N376 VanDerWaalsContact CB-ND2 3.35Å; S348-N376 WeakPolarHBondContact CB-ND2 3.46Å; S348-N376 PolarHBondContact N-ND2 2.85Å; S348-N376 PolarHBondContact OG-ND2 2.97Å
349A88.8Confident88.9Confident16 Ų1661 Ų6113%0.13232%0.323CS..SBendtrans-147.8148.9171.600000109.7P347 N374P347-A349 VanDerWaalsContact C-N 3.32Å; A349-N374 HydrophobicContact CB-CB 3.69Å
350P93.2Very high88.4Confident37 Ų3764.6 Ų64.624%0.2434%0.343CS..PPolyproline II helixtrans-76.6164.5178.731.8-35.8000112.4E430P350-E430 HydrophobicContact CB-CB 4.49Å; P350-E430 WeakPolarHBondContact CD-OE2 3.5Å
351P94.1Very high87.6Confident6 Ų665 Ų654%0.03936%0.356CS..PPolyproline II helixtrans-56.2142.4166.2-23.335.1000112V354 W367 V368 P370 Y382 V420 A422P351-V354 HydrophobicContact CB-CG2 4.45Å; P351-W367 HydrophobicContact CB-CB 4.27Å; P351-W367 HydrophobicContact CB-CG 4.31Å; P351-V368 CarbonylContact C-O 3.54Å; P351-V368 WeakPolarHBondContact CA-O 3.45Å; P351-V368 WeakPolarHBondContact CB-O 3.47Å; P351-P370 HydrophobicContact CG-CG 4.49Å; P351-Y382 HydrophobicContact CG-CD1 4.04Å; P351-Y382 HydrophobicContact CG-CE1 4.19Å; P351-V420 HydrophobicContact CB-CG1 4.44Å; P351-V420 WeakPolarHBondContact CD-O 3.47Å; P351-V420 HydrophobicContact CG-CB 4.21Å; P351-V420 HydrophobicContact CG-CG1 3.96Å; P351-A422 HydrophobicContact CG-CB 4.32Å
352Q92.4Very high87.4Confident98 Ų9856.6 Ų56.646%0.45833%0.325SS..EExtended strand (participates in β ladder)trans-94.6167.2-178-61.6-170.8-5.200111.5V354 V368Q352-V354 PolarHBondContact O-N 2.97Å; Q352-V368 HydrophobicContact CB-CB 4.19Å; Q352-V368 PolarHBondContact N-O 2.79Å; Q352-V368 PolarHBondContact O-N 2.8Å
353E91.2Very high87.4Confident149 Ų14956.5 Ų56.570%0.69633%0.325SS*.EExtended strand (participates in β ladder)trans47.434.1173.9-55.8-167.9171.400115.5T355 V368E353-T355 WeakPolarHBondContact O-CG2 3.03Å; E353-T355 PolarHBondContact O-N 3.49Å; E353-T355 VanDerWaalsContact O-N 3.14Å; E353-T355 PolarHBondContact O-OG1 3.16Å; E353-T355 VanDerWaalsContact O-OG1 3.06Å; E353-V368 HydrophobicContact CB-CB 4.46Å; E353-V368 HydrophobicContact CB-CG2 3.95Å; E353-V368 HydrophobicContact CG-CG2 4.3Å
354V92.3Very high87.5Confident15 Ų1556.1 Ų56.19%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-57.5121.1175-179.10000108.7P351 Q352 S366 W367 V420 V435P351-V354 HydrophobicContact CB-CG2 4.45Å; Q352-V354 PolarHBondContact O-N 2.97Å; V354-S366 CarbonylContact C-O 3.58Å; V354-S366 WeakPolarHBondContact CA-O 3.34Å; V354-W367 HydrophobicContact CG2-CB 3.95Å; V354-V420 HydrophobicContact CG1-CG2 3.92Å; V354-V420 HydrophobicContact CG2-CB 4.32Å; V354-V420 HydrophobicContact CG2-CG2 4.13Å; V354-V435 HydrophobicContact CB-CG2 3.96Å; V354-V435 HydrophobicContact CG1-CB 4.19Å; V354-V435 HydrophobicContact CG1-CG2 3.88Å; V354-V435 WeakPolarHBondContact O-CG2 2.97Å
355T91.3Very high87.7Confident59 Ų5953.7 Ų53.736%0.36231%0.308SS..EExtended strand (participates in β ladder)trans-139.2143.5-17036.50000110.3E353 V365 S366E353-T355 WeakPolarHBondContact O-CG2 3.03Å; E353-T355 PolarHBondContact O-N 3.49Å; E353-T355 VanDerWaalsContact O-N 3.14Å; E353-T355 PolarHBondContact O-OG1 3.16Å; E353-T355 VanDerWaalsContact O-OG1 3.06Å; T355-V365 WeakPolarHBondContact O-CA 3.33Å; T355-S366 PolarHBondContact N-O 2.81Å; T355-S366 PolarHBondContact O-N 2.79Å; T355-S366 PolarHBondContact OG1-O 3.46Å; T355-S366 VanDerWaalsContact OG1-O 3.04Å; T355-S366 PolarHBondContact OG1-OG 2.91Å
356L89.1Confident88Confident20 Ų2050.1 Ų50.111%0.10529%0.294CS..EExtended strand (participates in β ladder)trans-119.2124.9178.2-63.3179.3000109.3V363 L364 V365 Y416 V418 V435 L437L356-V363 HydrophobicContact CB-CG1 4.09Å; L356-V363 HydrophobicContact CD2-CG1 3.93Å; L356-L364 WeakPolarHBondContact CA-O 3.48Å; L356-V365 HydrophobicContact CD2-CB 4.08Å; L356-V365 HydrophobicContact CD2-CG1 3.91Å; L356-V365 HydrophobicContact CD2-CG2 3.69Å; L356-Y416 VanDerWaalsContact CD1-O 3.3Å; L356-Y416 WeakPolarHBondContact CD1-O 3.43Å; L356-V418 HydrophobicContact CD1-CB 4.39Å; L356-V418 HydrophobicContact CD1-CG2 4.18Å; L356-V418 HydrophobicContact CD2-CB 4.09Å; L356-V418 HydrophobicContact CD2-CG2 3.85Å; L356-V435 HydrophobicContact CD1-CG1 4.22Å; L356-V435 VanDerWaalsContact CD1-O 3.29Å; L356-V435 WeakPolarHBondContact CD1-O 3.17Å; L356-V435 HydrophobicContact CG-CG1 4.05Å; L356-L437 HydrophobicContact CB-CB 3.82Å; L356-L437 HydrophobicContact CB-CD2 4.13Å; L356-L437 HydrophobicContact CB-CG 4.47Å; L356-L437 HydrophobicContact CD1-CB 3.82Å; L356-L437 HydrophobicContact CG-CB 4.49Å
357K87.7Confident88.2Confident116 Ų11647.6 Ų47.650%0.50428%0.277SS..EExtended strand (participates in β ladder)trans-119.9128.7178.7-67171.7-177164.80110V363 L364K357-V363 WeakPolarHBondContact O-CA 3.45Å; K357-L364 HydrophobicContact CB-CB 4.42Å; K357-L364 PolarHBondContact N-O 2.8Å; K357-L364 PolarHBondContact O-N 2.82Å
358P83.3Confident88.3Confident85 Ų8550.1 Ų50.155%0.55229%0.293SS*.EExtended strand (participates in β ladder)trans-70132.2176.828.4-32.9000111L437 L439P358-L437 HydrophobicContact CB-CD2 4.2Å; P358-L439 HydrophobicContact CB-CD1 3.94Å
359G78.1Confident88.5Confident35 Ų3549.5 Ų49.536%0.36129%0.287SS..  trans-115.4179.5171.600000111.8G361 S362G359-G361 PolarHBondContact O-N 2.79Å; G359-S362 CarbonylContact C-O 3.57Å; G359-S362 WeakPolarHBondContact CA-O 3.4Å; G359-S362 PolarHBondContact N-O 3.47Å
360N78.6Confident88.7Confident173 Ų17349 Ų4993%0.92528%0.282SS*.SBendtrans-79.683.4-178.9-175.726.7000111.3
361G75.3Confident88.5Confident44 Ų4448.8 Ų48.845%0.45428%0.281SS..SBendtrans84.917.9-172.600000113.8G359 T410G359-G361 PolarHBondContact O-N 2.79Å; G361-T410 PolarHBondContact O-N 3.41Å; G361-T410 PolarHBondContact O-OG1 2.86Å
362S84.1Confident87.9Confident8 Ų852.1 Ų52.16%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-146.1167.917862.10000111.8G359 E407 I408 T410G359-S362 CarbonylContact C-O 3.57Å; G359-S362 WeakPolarHBondContact CA-O 3.4Å; G359-S362 PolarHBondContact N-O 3.47Å; S362-E407 WeakPolarHBondContact CB-OE1 3.49Å; S362-E407 PolarHBondContact OG-OE1 2.81Å; S362-I408 CarbonylContact C-O 3.53Å; S362-I408 VanDerWaalsContact CA-O 3.28Å; S362-I408 WeakPolarHBondContact CA-O 3.2Å; S362-T410 PolarHBondContact N-OG1 2.9Å
363V86.5Confident87.3Confident2 Ų253.3 Ų53.31%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-128.4122.3165.4166.10000107.4L356 K357 I408 T410 L437L356-V363 HydrophobicContact CB-CG1 4.09Å; L356-V363 HydrophobicContact CD2-CG1 3.93Å; K357-V363 WeakPolarHBondContact O-CA 3.45Å; V363-I408 PolarHBondContact N-O 3.09Å; V363-I408 PolarHBondContact O-N 2.91Å; V363-T410 HydrophobicContact CB-CG2 4.1Å; V363-T410 HydrophobicContact CG2-CG2 3.57Å; V363-L437 HydrophobicContact CG1-CD2 3.99Å; V363-L437 HydrophobicContact CG2-CD2 3.74Å
364L89.5Confident87Confident52 Ų5248.4 Ų48.427%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-84.5116.9173.9-178.965.3000108.8L356 K357 Q405 E407L356-L364 WeakPolarHBondContact CA-O 3.48Å; K357-L364 HydrophobicContact CB-CB 4.42Å; K357-L364 PolarHBondContact N-O 2.8Å; K357-L364 PolarHBondContact O-N 2.82Å; L364-Q405 HydrophobicContact CD1-CB 4.24Å; L364-E407 HydrophobicContact CD1-CB 4.43Å
365V91Very high86.6Confident0 Ų049.7 Ų49.70%030%0.298CS..EExtended strand (participates in β ladder)trans-86.9129.8166.2-163.60000107.8T355 L356 W367 Q405 L406 I408 V418 V420T355-V365 WeakPolarHBondContact O-CA 3.33Å; L356-V365 HydrophobicContact CD2-CB 4.08Å; L356-V365 HydrophobicContact CD2-CG1 3.91Å; L356-V365 HydrophobicContact CD2-CG2 3.69Å; V365-W367 HydrophobicContact CB-CE3 4.43Å; V365-W367 HydrophobicContact CB-CZ3 4.09Å; V365-W367 HydrophobicContact CG1-CE3 3.88Å; V365-W367 HydrophobicContact CG1-CZ3 3.95Å; V365-Q405 CarbonylContact O-C 3.47Å; V365-Q405 VanDerWaalsContact O-CA 3.23Å; V365-Q405 WeakPolarHBondContact O-CA 3.49Å; V365-L406 HydrophobicContact CB-CB 4.48Å; V365-L406 PolarHBondContact N-O 3.45Å; V365-L406 PolarHBondContact O-N 2.94Å; V365-I408 HydrophobicContact CG2-CD1 3.5Å; V365-I408 HydrophobicContact CG2-CG1 4.07Å; V365-V418 HydrophobicContact CG1-CG1 4.04Å; V365-V418 HydrophobicContact CG2-CG1 4.43Å; V365-V418 HydrophobicContact CG2-CG2 4.49Å; V365-V420 HydrophobicContact CG1-CG2 4.34Å
366S93.2Very high86.3Confident11 Ų1148.1 Ų48.18%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-132.1145.5171.846.50000110.6V354 T355V354-S366 CarbonylContact C-O 3.58Å; V354-S366 WeakPolarHBondContact CA-O 3.34Å; T355-S366 PolarHBondContact N-O 2.81Å; T355-S366 PolarHBondContact O-N 2.79Å; T355-S366 PolarHBondContact OG1-O 3.46Å; T355-S366 VanDerWaalsContact OG1-O 3.04Å; T355-S366 PolarHBondContact OG1-OG 2.91Å
367W94.3Very high86.1Confident9 Ų947.6 Ų47.63%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-147.2169.6178.558.992.1000111.3P351 V354 V365 Y382 V384 V399 Q403 T404 L406 V420P351-W367 HydrophobicContact CB-CB 4.27Å; P351-W367 HydrophobicContact CB-CG 4.31Å; V354-W367 HydrophobicContact CG2-CB 3.95Å; V365-W367 HydrophobicContact CB-CE3 4.43Å; V365-W367 HydrophobicContact CB-CZ3 4.09Å; V365-W367 HydrophobicContact CG1-CE3 3.88Å; V365-W367 HydrophobicContact CG1-CZ3 3.95Å; W367-Y382 AromaticContact CD1-CD1 3.98Å; W367-Y382 AromaticContact CD1-CE1 3.9Å; W367-Y382 AromaticContact CE2-CD2 3.85Å; W367-Y382 AromaticContact CE2-CG 3.75Å; W367-Y382 AromaticContact CZ2-CD2 3.75Å; W367-Y382 HydrophobicContact CZ2-CD2 3.75Å; W367-Y382 AromaticContact CZ2-CG 3.82Å; W367-Y382 HydrophobicContact CZ2-CG 3.82Å; W367-Y382 AromaticContact NE1-CD1 3.31Å; W367-Y382 VanDerWaalsContact NE1-CD1 3.31Å; W367-Y382 AromaticContact NE1-CD2 3.35Å; W367-Y382 VanDerWaalsContact NE1-CD2 3.35Å; W367-Y382 AromaticContact NE1-CE1 3.47Å; W367-Y382 AromaticContact NE1-CE2 3.5Å; W367-Y382 AromaticContact NE1-CG 3.27Å; W367-Y382 VanDerWaalsContact NE1-CG 3.27Å; W367-Y382 AromaticContact NE1-CZ 3.58Å; W367-V384 HydrophobicContact CH2-CG2 4Å; W367-V384 HydrophobicContact CZ3-CG2 4.12Å; W367-V399 HydrophobicContact CH2-CB 4.36Å; W367-V399 HydrophobicContact CH2-CG1 4.08Å; W367-V399 HydrophobicContact CH2-CG2 4.1Å; W367-V399 HydrophobicContact CZ2-CB 4.32Å; W367-V399 HydrophobicContact CZ2-CG1 4Å; W367-Q403 WeakPolarHBondContact CZ2-O 3.42Å; W367-T404 VanDerWaalsContact CD2-O 3.29Å; W367-T404 PolarHBondContact N-O 2.89Å; W367-T404 WeakPolarHBondContact O-CB 3.34Å; W367-L406 HydrophobicContact CH2-CB 3.94Å; W367-L406 HydrophobicContact CZ3-CB 3.99Å; W367-V420 HydrophobicContact CD2-CG1 4.05Å; W367-V420 HydrophobicContact CD2-CG2 4.43Å; W367-V420 HydrophobicContact CE3-CG1 4.43Å; W367-V420 HydrophobicContact CE3-CG2 4.18Å; W367-V420 HydrophobicContact CG-CG1 4.3Å
368V93.6Very high86Confident56 Ų5647.8 Ų47.834%0.33929%0.292SS..EExtended strand (participates in β ladder)trans-109.4141.1171.1174.80000107.9P351 Q352 E353P351-V368 CarbonylContact C-O 3.54Å; P351-V368 WeakPolarHBondContact CA-O 3.45Å; P351-V368 WeakPolarHBondContact CB-O 3.47Å; Q352-V368 HydrophobicContact CB-CB 4.19Å; Q352-V368 PolarHBondContact N-O 2.79Å; Q352-V368 PolarHBondContact O-N 2.8Å; E353-V368 HydrophobicContact CB-CB 4.46Å; E353-V368 HydrophobicContact CB-CG2 3.95Å; E353-V368 HydrophobicContact CG-CG2 4.3Å
369P91.9Very high86.3Confident49 Ų4944.9 Ų44.932%0.31827%0.272SS..PPolyproline II helixtrans-54.1155.3174.1-25.434.3000112.6Y382 T404P369-Y382 WeakPolarHBondContact CB-OH 3.23Å; P369-Y382 WeakPolarHBondContact CG-OH 3.38Å; P369-T404 HydrophobicContact CG-CG2 4.06Å
370P91.8Very high86.8Confident5 Ų550.4 Ų50.43%0.03228%0.282CS..PPolyproline II helixtrans-59.3164.3170.2-17.629.1000111.8P351 H375 A422P351-P370 HydrophobicContact CG-CG 4.49Å; P370-H375 PolarHBondContact O-CD2 3.44Å; P370-H375 PolarHBondContact O-NE2 2.82Å; P370-A422 HydrophobicContact CG-CB 3.67Å
371P88.7Confident87.4Confident33 Ų3342.5 Ų42.521%0.21424%0.241CC..PPolyproline II helixtrans-58.5141.5171.4-2334.2000111.9E373 N374 H375P371-E373 VanDerWaalsContact C-N 3.28Å; P371-E373 HydrophobicContact CB-CG 4.46Å; P371-E373 PolarHBondContact O-N 3.41Å; P371-N374 WeakPolarHBondContact O-CA 3.26Å; P371-N374 WeakPolarHBondContact O-CB 3.05Å; P371-N374 PolarHBondContact O-N 2.89Å; P371-H375 PolarHBondContact O-CD2 2.95Å; P371-H375 PolarHBondContact O-N 2.9Å
372A83.3Confident88.3Confident76 Ų7640.7 Ų40.763%0.62822%0.22SC*.G310 helixtrans-59.5-36.8-173.800000112.9N374 H375A372-N374 PolarHBondContact O-N 3.02Å; A372-N374 VanDerWaalsContact O-N 3.16Å; A372-H375 PolarHBondContact O-N 2.9Å
373E78.8Confident88.7Confident123 Ų12343.1 Ų43.158%0.57523%0.231SC*.G310 helixtrans-61.7-22175.566.8-91.6-161.300113.7P371P371-E373 VanDerWaalsContact C-N 3.28Å; P371-E373 HydrophobicContact CB-CG 4.46Å; P371-E373 PolarHBondContact O-N 3.41Å
374N84.4Confident88.9Confident45 Ų4543 Ų4324%0.24123%0.231CC..G310 helixtrans-101.71.2-178.4-73.1-63.5000113.8P347 S348 A349 P371 A372 N376P347-N374 CarbonylContact C-O 3.59Å; P347-N374 VanDerWaalsContact CA-O 3.29Å; P347-N374 WeakPolarHBondContact CA-O 2.93Å; S348-N374 PolarHBondContact N-O 2.83Å; S348-N374 PolarHBondContact OG-O 3.21Å; S348-N374 PolarHBondContact OG-OD1 2.89Å; A349-N374 HydrophobicContact CB-CB 3.69Å; P371-N374 WeakPolarHBondContact O-CA 3.26Å; P371-N374 WeakPolarHBondContact O-CB 3.05Å; P371-N374 PolarHBondContact O-N 2.89Å; A372-N374 PolarHBondContact O-N 3.02Å; A372-N374 VanDerWaalsContact O-N 3.16Å; N374-N376 VanDerWaalsContact C-N 3.32Å; N374-N376 PolarHBondContact O-N 3.39Å
375H84.9Confident88.9Confident43 Ų4344.2 Ų44.220%0.19923%0.231CC..  trans-66-35.1177.9-71.5-173.4000112.2P370 P371 A372 G377 I379 T424P370-H375 PolarHBondContact O-CD2 3.44Å; P370-H375 PolarHBondContact O-NE2 2.82Å; P371-H375 PolarHBondContact O-CD2 2.95Å; P371-H375 PolarHBondContact O-N 2.9Å; A372-H375 PolarHBondContact O-N 2.9Å; H375-G377 WeakPolarHBondContact CB-O 3.41Å; H375-G377 PolarHBondContact O-N 2.78Å; H375-I379 HydrophobicContact CB-CD1 3.9Å; H375-I379 HydrophobicContact CB-CG1 4.33Å; H375-T424 WeakPolarHBondContact O-CG2 3.36Å
376N84.4Confident88.5Confident25 Ų2545.2 Ų45.213%0.13424%0.238CC..  trans54.517.5-176-62.6-48.5000115.6W315 E344 K345 V346 S348 N374W315-N376 CarbonylContact C-O 3.49Å; W315-N376 HydrophobicContact CB-CB 3.92Å; W315-N376 CarbonylContact O-C 3.58Å; W315-N376 VanDerWaalsContact O-C 3.26Å; E344-N376 CarbonylContact C-O 3.58Å; E344-N376 WeakPolarHBondContact CA-O 3.28Å; K345-N376 HydrophobicContact CB-CB 3.94Å; K345-N376 PolarHBondContact N-O 3.01Å; V346-N376 PolarHBondContact O-ND2 3.35Å; S348-N376 VanDerWaalsContact CB-ND2 3.35Å; S348-N376 WeakPolarHBondContact CB-ND2 3.46Å; S348-N376 PolarHBondContact N-ND2 2.85Å; S348-N376 PolarHBondContact OG-ND2 2.97Å; N374-N376 VanDerWaalsContact C-N 3.32Å; N374-N376 PolarHBondContact O-N 3.39Å
377G85.6Confident87.6Confident9 Ų948.1 Ų48.19%0.09325%0.253CS..SBendtrans163.5-165.2-172.900000110.8H375H375-G377 WeakPolarHBondContact CB-O 3.41Å; H375-G377 PolarHBondContact O-N 2.78Å
378I85.9Confident86.2Confident120 Ų12049.5 Ų49.562%0.61527%0.27SS*.  trans-93125.5177.2-59.8174.9000108E344 R380 T424E344-I378 PolarHBondContact OE2-N 3.15Å; I378-R380 WeakPolarHBondContact O-CG 3.29Å; I378-R380 PolarHBondContact O-N 3.2Å; I378-R380 VanDerWaalsContact O-N 3.09Å; I378-T424 WeakPolarHBondContact O-CA 3.1Å
379I88.3Confident84.7Confident25 Ų2551.6 Ų51.613%0.12828%0.279CS..  trans-69.2108.6174.5-52.7-51.2000108.9P347 H375 Y382 A422 T424P347-I379 HydrophobicContact CG-CD1 3.79Å; H375-I379 HydrophobicContact CB-CD1 3.9Å; H375-I379 HydrophobicContact CB-CG1 4.33Å; I379-Y382 HydrophobicContact CG2-CE1 4.15Å; I379-Y382 HydrophobicContact CG2-CE2 4.29Å; I379-A422 HydrophobicContact CD1-CB 4.13Å; I379-A422 HydrophobicContact CG2-CB 4.28Å; I379-T424 HydrophobicContact CD1-CG2 3.89Å
380R89.4Confident82.9Confident151 Ų15156.2 Ų56.257%0.5731%0.307SS*.  trans-89.9-20.8-178.3-53.5-171.4-178.3-159.90.6112.3E344 I378 G401 V423 G425E344-R380 IonicContact OE1-CZ 3.92Å; E344-R380 IonicContact OE1-NE 3.86Å; E344-R380 IonicContact OE1-NH2 2.68Å; E344-R380 PolarHBondContact OE1-NH2 3.07Å; E344-R380 IonicContact OE2-NE 3.61Å; E344-R380 IonicContact OE2-NH2 3.67Å; I378-R380 WeakPolarHBondContact O-CG 3.29Å; I378-R380 PolarHBondContact O-N 3.2Å; I378-R380 VanDerWaalsContact O-N 3.09Å; R380-G401 PolarHBondContact O-N 3.43Å; R380-V423 PolarHBondContact N-O 2.9Å; R380-G425 VanDerWaalsContact CZ-CA 3.48Å
381G91.4Very high81Confident7 Ų759.1 Ų59.17%0.07233%0.327CS..EExtended strand (participates in β ladder)trans-179.1-176.8-178.900000113.6V399 V423G381-V399 CarbonylContact C-O 3.54Å; G381-V399 WeakPolarHBondContact CA-O 3.32Å; G381-V423 PolarHBondContact N-O 2.86Å; G381-V423 WeakPolarHBondContact O-CB 3.24Å; G381-V423 PolarHBondContact O-N 2.83Å
382Y93.9Very high79.6Confident5 Ų559.2 Ų59.22%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-125.4143.9171.3-58.6-85.3000109.5P351 W367 P369 I379 V399 Q403 V420 A421 A422P351-Y382 HydrophobicContact CG-CD1 4.04Å; P351-Y382 HydrophobicContact CG-CE1 4.19Å; W367-Y382 AromaticContact CD1-CD1 3.98Å; W367-Y382 AromaticContact CD1-CE1 3.9Å; W367-Y382 AromaticContact CE2-CD2 3.85Å; W367-Y382 AromaticContact CE2-CG 3.75Å; W367-Y382 AromaticContact CZ2-CD2 3.75Å; W367-Y382 HydrophobicContact CZ2-CD2 3.75Å; W367-Y382 AromaticContact CZ2-CG 3.82Å; W367-Y382 HydrophobicContact CZ2-CG 3.82Å; W367-Y382 AromaticContact NE1-CD1 3.31Å; W367-Y382 VanDerWaalsContact NE1-CD1 3.31Å; W367-Y382 AromaticContact NE1-CD2 3.35Å; W367-Y382 VanDerWaalsContact NE1-CD2 3.35Å; W367-Y382 AromaticContact NE1-CE1 3.47Å; W367-Y382 AromaticContact NE1-CE2 3.5Å; W367-Y382 AromaticContact NE1-CG 3.27Å; W367-Y382 VanDerWaalsContact NE1-CG 3.27Å; W367-Y382 AromaticContact NE1-CZ 3.58Å; P369-Y382 WeakPolarHBondContact CB-OH 3.23Å; P369-Y382 WeakPolarHBondContact CG-OH 3.38Å; I379-Y382 HydrophobicContact CG2-CE1 4.15Å; I379-Y382 HydrophobicContact CG2-CE2 4.29Å; Y382-V399 PolarHBondContact N-O 2.71Å; Y382-V399 PolarHBondContact O-N 3.08Å; Y382-Q403 WeakPolarHBondContact CD2-O 3.29Å; Y382-V420 HydrophobicContact CD1-CG1 4.26Å; Y382-V420 HydrophobicContact CG-CG1 4.49Å; Y382-A421 CarbonylContact C-O 3.58Å; Y382-A421 VanDerWaalsContact CA-O 3.31Å; Y382-A421 WeakPolarHBondContact CA-O 3.4Å; Y382-A422 HydrophobicContact CD1-CB 3.96Å; Y382-A422 HydrophobicContact CE1-CB 3.78Å
383Q91.9Very high78.7Confident60 Ų6060.5 Ų60.528%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-103.5128.9165-81170.99.100108.2W385 W397 T398 V420 A421 V423Q383-W385 HydrophobicContact CB-CE3 4.12Å; Q383-W385 HydrophobicContact CB-CH2 3.29Å; Q383-W385 HydrophobicContact CB-CZ2 3.77Å; Q383-W385 HydrophobicContact CB-CZ3 3.47Å; Q383-W385 VanDerWaalsContact CB-CZ3 3.47Å; Q383-W385 HydrophobicContact CG-CH2 4.31Å; Q383-W385 HydrophobicContact CG-CZ2 4.49Å; Q383-W385 WeakPolarHBondContact O-CZ3 3.01Å; Q383-W385 VanDerWaalsContact OE1-CZ2 3.23Å; Q383-W397 WeakPolarHBondContact CA-O 3.48Å; Q383-T398 HydrophobicContact CG-CG2 3.96Å; Q383-V420 CarbonylContact O-C 3.55Å; Q383-V420 WeakPolarHBondContact O-CA 3.13Å; Q383-A421 PolarHBondContact N-O 2.8Å; Q383-A421 PolarHBondContact O-N 2.89Å; Q383-V423 HydrophobicContact CB-CG2 4.25Å; Q383-V423 HydrophobicContact CG-CG2 3.89Å
384V91.1Very high78.4Confident0 Ų059.6 Ų59.60%033%0.332CS..EExtended strand (participates in β ladder)trans-114.5126.7177.7-175.90000107W367 N396 W397 V399 L406 V418 Q419 V420W367-V384 HydrophobicContact CH2-CG2 4Å; W367-V384 HydrophobicContact CZ3-CG2 4.12Å; V384-N396 CarbonylContact O-C 3.43Å; V384-N396 WeakPolarHBondContact O-CA 3.31Å; V384-W397 HydrophobicContact CB-CB 4.4Å; V384-W397 HydrophobicContact CB-CE3 4.34Å; V384-W397 HydrophobicContact CG1-CE3 4.17Å; V384-W397 PolarHBondContact N-O 3.3Å; V384-W397 PolarHBondContact O-N 3.41Å; V384-V399 HydrophobicContact CG2-CG2 4.13Å; V384-L406 HydrophobicContact CB-CD2 3.95Å; V384-L406 HydrophobicContact CG1-CD2 4.08Å; V384-L406 HydrophobicContact CG2-CD2 3.92Å; V384-V418 HydrophobicContact CG1-CG1 3.45Å; V384-V418 VanDerWaalsContact CG1-CG1 3.45Å; V384-Q419 WeakPolarHBondContact CA-O 3.43Å; V384-V420 HydrophobicContact CG1-CG2 4.43Å; V384-V420 HydrophobicContact CG2-CG1 4.12Å; V384-V420 HydrophobicContact CG2-CG2 4.29Å
385W88.1Confident78.2Confident76 Ų7659.2 Ų59.229%0.28834%0.335SS..EExtended strand (participates in β ladder)trans-115.8132.7176-65.4-99.4000109.9Q383 A395 V418 Q419 A421 A428 L431Q383-W385 HydrophobicContact CB-CE3 4.12Å; Q383-W385 HydrophobicContact CB-CH2 3.29Å; Q383-W385 HydrophobicContact CB-CZ2 3.77Å; Q383-W385 HydrophobicContact CB-CZ3 3.47Å; Q383-W385 VanDerWaalsContact CB-CZ3 3.47Å; Q383-W385 HydrophobicContact CG-CH2 4.31Å; Q383-W385 HydrophobicContact CG-CZ2 4.49Å; Q383-W385 WeakPolarHBondContact O-CZ3 3.01Å; Q383-W385 VanDerWaalsContact OE1-CZ2 3.23Å; W385-A395 WeakPolarHBondContact CA-O 3.09Å; W385-V418 WeakPolarHBondContact O-CA 3.31Å; W385-Q419 PolarHBondContact N-O 2.97Å; W385-Q419 PolarHBondContact O-N 2.85Å; W385-A421 HydrophobicContact CH2-CB 3.92Å; W385-A421 HydrophobicContact CZ3-CB 3.61Å; W385-A428 HydrophobicContact CH2-CB 4.4Å; W385-L431 HydrophobicContact CD2-CD2 4.2Å; W385-L431 HydrophobicContact CE3-CD2 3.46Å; W385-L431 VanDerWaalsContact CE3-CD2 3.46Å; W385-L431 HydrophobicContact CH2-CD2 3.91Å; W385-L431 HydrophobicContact CZ3-CD2 3.3Å
386S83.5Confident78.3Confident21 Ų2163 Ų6315%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-79.2121.9159.759.20000109.3G388 A395 C417S386-G388 VanDerWaalsContact C-N 3.31Å; S386-G388 PolarHBondContact O-N 2.84Å; S386-A395 PolarHBondContact N-O 3.17Å; S386-A395 PolarHBondContact OG-N 3.43Å; S386-A395 PolarHBondContact OG-O 2.96Å; S386-C417 CarbonylContact C-O 3.57Å; S386-C417 WeakPolarHBondContact CA-O 3.18Å
387L75.1Confident78.5Confident73 Ų7365.5 Ų65.538%0.38236%0.364SS..EExtended strand (participates in β ladder)trans-72.193.7164.4-74.7171.2000107.5C417 Q419 P434L387-C417 HydrophobicContact CB-CB 3.81Å; L387-C417 HydrophobicContact CD1-CB 4.45Å; L387-C417 PolarHBondContact N-O 2.79Å; L387-Q419 HydrophobicContact CD1-CG 3.86Å; L387-Q419 HydrophobicContact CG-CG 4.35Å; L387-P434 HydrophobicContact CD1-CB 3.49Å; L387-P434 VanDerWaalsContact CD1-CB 3.49Å
388G64.2Low78.6Confident38 Ų3870.6 Ų70.639%0.39239%0.394SS..  trans-58.2150.1-179.800000112.5S386 L392S386-G388 VanDerWaalsContact C-N 3.31Å; S386-G388 PolarHBondContact O-N 2.84Å; G388-L392 VanDerWaalsContact CA-O 3.24Å; G388-L392 WeakPolarHBondContact CA-O 3.4Å
389N61.8Low78.8Confident100 Ų10065.4 Ų65.454%0.53537%0.368SS..BIsolated β-bridgetrans-138-177.6173.7-160.7-12.8000108S391 L392N389-S391 PolarHBondContact O-N 2.03Å; N389-L392 PolarHBondContact N-O 3.16Å; N389-L392 PolarHBondContact O-N 2.89Å
390T53.3Low78.8Confident146 Ų14668.7 Ų68.790%0.89639%0.389SS*.THydrogen-bonded Turntrans-55.4-12.2-170.352.90000116.6
391S52.9Low78.4Confident65 Ų6562.5 Ų62.546%0.45537%0.372SS..THydrogen-bonded Turntrans-112.4-7.8177.352.40000115.5N389N389-S391 PolarHBondContact O-N 2.03Å
392L58.7Low78.1Confident36 Ų3671.1 Ų71.119%0.18841%0.41CS..BIsolated β-bridgetrans-141.2122.4-174.3-72.4169.1000111.4G388 N389 Y416G388-L392 VanDerWaalsContact CA-O 3.24Å; G388-L392 WeakPolarHBondContact CA-O 3.4Å; N389-L392 PolarHBondContact N-O 3.16Å; N389-L392 PolarHBondContact O-N 2.89Å; L392-Y416 HydrophobicContact CD1-CD1 3.69Å; L392-Y416 HydrophobicContact CD1-CD2 4.28Å; L392-Y416 HydrophobicContact CD1-CE1 3.44Å; L392-Y416 VanDerWaalsContact CD1-CE1 3.44Å; L392-Y416 HydrophobicContact CD1-CE2 4.06Å; L392-Y416 HydrophobicContact CD1-CG 4.1Å; L392-Y416 HydrophobicContact CD2-CE1 4.15Å; L392-Y416 HydrophobicContact CG-CE1 4.47Å
393P64.7Low77.7Confident102 Ų10276.2 Ų76.266%0.66243%0.434SS*.  trans-66.2148.3173.629.9-34.5000110.7A395P393-A395 PolarHBondContact O-N 2.85Å
394P73.1Confident77.7Confident105 Ų10575.7 Ų75.768%0.68244%0.435SS*.  trans-63.9129.4171.328.5-33.9000109.5
395A79.1Confident77.7Confident37 Ų3780.5 Ų80.531%0.30646%0.458SS..  trans-130.1150.2178.200000109.3W385 S386 P393 W397W385-A395 WeakPolarHBondContact CA-O 3.09Å; S386-A395 PolarHBondContact N-O 3.17Å; S386-A395 PolarHBondContact OG-N 3.43Å; S386-A395 PolarHBondContact OG-O 2.96Å; P393-A395 PolarHBondContact O-N 2.85Å; A395-W397 HydrophobicContact CB-CH2 3.66Å; A395-W397 HydrophobicContact CB-CZ2 3.78Å; A395-W397 HydrophobicContact CB-CZ3 4.18Å
396N87.1Confident77.7Confident121 Ų12178.4 Ų78.465%0.64745%0.452SS*.EExtended strand (participates in β ladder)trans-123.8139.4178.460.2-27.5000110.6V384V384-N396 CarbonylContact O-C 3.43Å; V384-N396 WeakPolarHBondContact O-CA 3.31Å
397W88.3Confident78Confident78 Ų7883.5 Ų83.530%0.29547%0.474SS..EExtended strand (participates in β ladder)trans-124.6141.7176.3-58.4-90.7000109.5Q383 V384 A395 L406 I408Q383-W397 WeakPolarHBondContact CA-O 3.48Å; V384-W397 HydrophobicContact CB-CB 4.4Å; V384-W397 HydrophobicContact CB-CE3 4.34Å; V384-W397 HydrophobicContact CG1-CE3 4.17Å; V384-W397 PolarHBondContact N-O 3.3Å; V384-W397 PolarHBondContact O-N 3.41Å; A395-W397 HydrophobicContact CB-CH2 3.66Å; A395-W397 HydrophobicContact CB-CZ2 3.78Å; A395-W397 HydrophobicContact CB-CZ3 4.18Å; W397-L406 HydrophobicContact CB-CD2 3.51Å; W397-L406 HydrophobicContact CD2-CD2 4.07Å; W397-L406 HydrophobicContact CE3-CD2 4.33Å; W397-L406 HydrophobicContact CG-CD2 3.72Å; W397-I408 HydrophobicContact CD2-CD1 4.46Å; W397-I408 HydrophobicContact CE3-CD1 3.99Å; W397-I408 HydrophobicContact CH2-CD1 3.81Å; W397-I408 HydrophobicContact CH2-CG1 4.28Å; W397-I408 HydrophobicContact CH2-CG2 3.89Å; W397-I408 HydrophobicContact CZ2-CD1 4.29Å; W397-I408 HydrophobicContact CZ2-CG1 4.27Å; W397-I408 HydrophobicContact CZ2-CG2 3.77Å; W397-I408 HydrophobicContact CZ3-CD1 3.64Å; W397-I408 HydrophobicContact CZ3-CG1 4.42Å
398T88.9Confident78.4Confident117 Ų11780.7 Ų80.772%0.71846%0.459SS*.EExtended strand (participates in β ladder)trans-108.6127.6172.846.40000108.5Q383Q383-T398 HydrophobicContact CG-CG2 3.96Å
399V90.8Very high79.2Confident10 Ų1084.5 Ų84.56%0.06147%0.474CS..EExtended strand (participates in β ladder)trans-119139-175.1-178.30000107.9W367 G381 Y382 V384 Q403 L406W367-V399 HydrophobicContact CH2-CB 4.36Å; W367-V399 HydrophobicContact CH2-CG1 4.08Å; W367-V399 HydrophobicContact CH2-CG2 4.1Å; W367-V399 HydrophobicContact CZ2-CB 4.32Å; W367-V399 HydrophobicContact CZ2-CG1 4Å; G381-V399 CarbonylContact C-O 3.54Å; G381-V399 WeakPolarHBondContact CA-O 3.32Å; Y382-V399 PolarHBondContact N-O 2.71Å; Y382-V399 PolarHBondContact O-N 3.08Å; V384-V399 HydrophobicContact CG2-CG2 4.13Å; V399-Q403 HydrophobicContact CG1-CB 3.42Å; V399-Q403 VanDerWaalsContact CG1-CB 3.42Å; V399-Q403 WeakPolarHBondContact CG1-O 3.26Å; V399-L406 HydrophobicContact CG2-CB 4.16Å; V399-L406 HydrophobicContact CG2-CD1 4.22Å; V399-L406 HydrophobicContact CG2-CD2 4.1Å; V399-L406 HydrophobicContact CG2-CG 4.39Å
400V88.4Confident79.7Confident95 Ų9580.8 Ų80.858%0.57646%0.456SS*.EExtended strand (participates in β ladder)trans-71.3147.3-178.6-176.80000109.9E402 Q403V400-E402 PolarHBondContact O-N 3.3Å; V400-Q403 PolarHBondContact O-N 3.39Å
401G81.1Confident80.2Confident20 Ų2085 Ų8521%0.20646%0.455CS..THydrogen-bonded Turntrans-57.4-24.3-170.200000116.2R380R380-G401 PolarHBondContact O-N 3.43Å
402E83.1Confident80.7Confident188 Ų18887.5 Ų87.588%0.87946%0.461SS*.THydrogen-bonded Turntrans-76.8-19.4175.2-61.6-179.4168.400113.5V400V400-E402 PolarHBondContact O-N 3.3Å
403Q87.1Confident81.2Confident112 Ų11288.4 Ų88.452%0.52347%0.469SS..  trans-93.6120.2177.9-80.2-174.5-5500111.5W367 Y382 V399 V400W367-Q403 WeakPolarHBondContact CZ2-O 3.42Å; Y382-Q403 WeakPolarHBondContact CD2-O 3.29Å; V399-Q403 HydrophobicContact CG1-CB 3.42Å; V399-Q403 VanDerWaalsContact CG1-CB 3.42Å; V399-Q403 WeakPolarHBondContact CG1-O 3.26Å; V400-Q403 PolarHBondContact O-N 3.39Å
404T90.7Very high81.6Confident49 Ų4984.3 Ų84.330%0.30145%0.446SS..  trans-101.813.6174.653.60000113.1W367 P369W367-T404 VanDerWaalsContact CD2-O 3.29Å; W367-T404 PolarHBondContact N-O 2.89Å; W367-T404 WeakPolarHBondContact O-CB 3.34Å; P369-T404 HydrophobicContact CG-CG2 4.06Å
405Q91Very high81.8Confident101 Ų10181.2 Ų81.247%0.47243%0.426SS..EExtended strand (participates in β ladder)trans-144149.9-176.8-55.4-172.2500111.2L364 V365L364-Q405 HydrophobicContact CD1-CB 4.24Å; V365-Q405 CarbonylContact O-C 3.47Å; V365-Q405 VanDerWaalsContact O-CA 3.23Å; V365-Q405 WeakPolarHBondContact O-CA 3.49Å
406L89.7Confident81.9Confident33 Ų3380.3 Ų80.317%0.17342%0.415CS..EExtended strand (participates in β ladder)trans-144.3129.3175.8174.366.5000110.1V365 W367 V384 W397 V399 I408V365-L406 HydrophobicContact CB-CB 4.48Å; V365-L406 PolarHBondContact N-O 3.45Å; V365-L406 PolarHBondContact O-N 2.94Å; W367-L406 HydrophobicContact CH2-CB 3.94Å; W367-L406 HydrophobicContact CZ3-CB 3.99Å; V384-L406 HydrophobicContact CB-CD2 3.95Å; V384-L406 HydrophobicContact CG1-CD2 4.08Å; V384-L406 HydrophobicContact CG2-CD2 3.92Å; W397-L406 HydrophobicContact CB-CD2 3.51Å; W397-L406 HydrophobicContact CD2-CD2 4.07Å; W397-L406 HydrophobicContact CE3-CD2 4.33Å; W397-L406 HydrophobicContact CG-CD2 3.72Å; V399-L406 HydrophobicContact CG2-CB 4.16Å; V399-L406 HydrophobicContact CG2-CD1 4.22Å; V399-L406 HydrophobicContact CG2-CD2 4.1Å; V399-L406 HydrophobicContact CG2-CG 4.39Å; L406-I408 HydrophobicContact CD2-CD1 4.32Å; L406-I408 HydrophobicContact CD2-CG1 4.06Å; L406-I408 HydrophobicContact CG-CG1 4.13Å
407E88Confident81.8Confident128 Ų12875.6 Ų75.660%0.59839%0.392SS*.EExtended strand (participates in β ladder)trans-93121.9172-172.3170.8-155.900110.8S362 L364S362-E407 WeakPolarHBondContact CB-OE1 3.49Å; S362-E407 PolarHBondContact OG-OE1 2.81Å; L364-E407 HydrophobicContact CD1-CB 4.43Å
408I84.8Confident81.8Confident13 Ų1372.1 Ų72.17%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-107.2115.7178.5-60174.3000108.6S362 V363 V365 W397 L406 T410 V418S362-I408 CarbonylContact C-O 3.53Å; S362-I408 VanDerWaalsContact CA-O 3.28Å; S362-I408 WeakPolarHBondContact CA-O 3.2Å; V363-I408 PolarHBondContact N-O 3.09Å; V363-I408 PolarHBondContact O-N 2.91Å; V365-I408 HydrophobicContact CG2-CD1 3.5Å; V365-I408 HydrophobicContact CG2-CG1 4.07Å; W397-I408 HydrophobicContact CD2-CD1 4.46Å; W397-I408 HydrophobicContact CE3-CD1 3.99Å; W397-I408 HydrophobicContact CH2-CD1 3.81Å; W397-I408 HydrophobicContact CH2-CG1 4.28Å; W397-I408 HydrophobicContact CH2-CG2 3.89Å; W397-I408 HydrophobicContact CZ2-CD1 4.29Å; W397-I408 HydrophobicContact CZ2-CG1 4.27Å; W397-I408 HydrophobicContact CZ2-CG2 3.77Å; W397-I408 HydrophobicContact CZ3-CD1 3.64Å; W397-I408 HydrophobicContact CZ3-CG1 4.42Å; L406-I408 HydrophobicContact CD2-CD1 4.32Å; L406-I408 HydrophobicContact CD2-CG1 4.06Å; L406-I408 HydrophobicContact CG-CG1 4.13Å; I408-T410 PolarHBondContact O-N 3.49Å; I408-V418 HydrophobicContact CD1-CG2 4.48Å
409T80.4Confident82Confident118 Ų11868.3 Ų68.372%0.72435%0.353SS*.EExtended strand (participates in β ladder)trans-65.1124.7177.655.80000111.4
410T71.6Confident82.1Confident23 Ų2367.8 Ų67.814%0.14135%0.35CS..  trans-92.3113.5-177.752.40000111.3G361 S362 V363 I408 Y416 L439G361-T410 PolarHBondContact O-N 3.41Å; G361-T410 PolarHBondContact O-OG1 2.86Å; S362-T410 PolarHBondContact N-OG1 2.9Å; V363-T410 HydrophobicContact CB-CG2 4.1Å; V363-T410 HydrophobicContact CG2-CG2 3.57Å; I408-T410 PolarHBondContact O-N 3.49Å; T410-Y416 WeakPolarHBondContact CA-OH 3.2Å; T410-Y416 WeakPolarHBondContact CB-OH 3.43Å; T410-Y416 HydrophobicContact CG2-CD1 4.2Å; T410-Y416 HydrophobicContact CG2-CD2 4.38Å; T410-Y416 HydrophobicContact CG2-CE1 3.61Å; T410-Y416 HydrophobicContact CG2-CE2 3.82Å; T410-Y416 VanDerWaalsContact CG2-CZ 3.41Å; T410-L439 HydrophobicContact CG2-CD2 3.98Å
411R64.1Low82.4Confident235 Ų23563.3 Ų63.389%0.88732%0.323SS*.  trans-89.8-18.8-173.4-158.4172.3-173.8173.72.5113.7
412M64.8Low82.9Confident116 Ų11662.4 Ų62.457%0.57131%0.313SS*.SBendtrans-146.9151.1177.8-66.7-63.1-69.300109.7Y416M412-Y416 PolarHBondContact O-OH 2.92Å
413P68.6Low83.3Confident55 Ų5554.6 Ų54.636%0.35728%0.278SS..SBendtrans-65.3150.1164.830.1-34.9000110.7L439 Q441P413-L439 WeakPolarHBondContact CA-O 3.16Å; P413-L439 WeakPolarHBondContact CB-O 3.29Å; P413-Q441 HydrophobicContact CB-CB 4.13Å; P413-Q441 HydrophobicContact CG-CB 4.29Å
414G73.2Confident83.5Confident17 Ų1749.5 Ų49.518%0.17526%0.255CS..EExtended strand (participates in β ladder)trans155.1-173.1-17500000114.1L439G414-L439 PolarHBondContact N-O 3.46Å; G414-L439 VanDerWaalsContact N-O 3.14Å; G414-L439 PolarHBondContact O-N 2.8Å
415S78Confident83.2Confident40 Ų4049.3 Ų49.328%0.2826%0.262SS..EExtended strand (participates in β ladder)trans-89.7121.2175.7-174.50000110.7L437S415-L437 WeakPolarHBondContact CA-O 3.41Å
416Y79.3Confident83Confident17 Ų1747 Ų477%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-104.6105.5175.8-72.4-97.7000108.8L356 L392 T410 M412 C436 L437 L439L356-Y416 VanDerWaalsContact CD1-O 3.3Å; L356-Y416 WeakPolarHBondContact CD1-O 3.43Å; L392-Y416 HydrophobicContact CD1-CD1 3.69Å; L392-Y416 HydrophobicContact CD1-CD2 4.28Å; L392-Y416 HydrophobicContact CD1-CE1 3.44Å; L392-Y416 VanDerWaalsContact CD1-CE1 3.44Å; L392-Y416 HydrophobicContact CD1-CE2 4.06Å; L392-Y416 HydrophobicContact CD1-CG 4.1Å; L392-Y416 HydrophobicContact CD2-CE1 4.15Å; L392-Y416 HydrophobicContact CG-CE1 4.47Å; T410-Y416 WeakPolarHBondContact CA-OH 3.2Å; T410-Y416 WeakPolarHBondContact CB-OH 3.43Å; T410-Y416 HydrophobicContact CG2-CD1 4.2Å; T410-Y416 HydrophobicContact CG2-CD2 4.38Å; T410-Y416 HydrophobicContact CG2-CE1 3.61Å; T410-Y416 HydrophobicContact CG2-CE2 3.82Å; T410-Y416 VanDerWaalsContact CG2-CZ 3.41Å; M412-Y416 PolarHBondContact O-OH 2.92Å; Y416-C436 CarbonylContact O-C 3.55Å; Y416-C436 WeakPolarHBondContact O-CA 3.33Å; Y416-L437 PolarHBondContact N-O 3.04Å; Y416-L437 PolarHBondContact O-N 3.1Å; Y416-L439 HydrophobicContact CD2-CB 4.33Å; Y416-L439 HydrophobicContact CE2-CB 4.32Å; Y416-L439 HydrophobicContact CE2-CD2 4.31Å
417C86.4Confident82.9Confident23 Ų2346.7 Ų46.716%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-103.7135.6174.6-67.20000110.2S386 L387 V435 C436S386-C417 CarbonylContact C-O 3.57Å; S386-C417 WeakPolarHBondContact CA-O 3.18Å; L387-C417 HydrophobicContact CB-CB 3.81Å; L387-C417 HydrophobicContact CD1-CB 4.45Å; L387-C417 PolarHBondContact N-O 2.79Å; C417-V435 CarbonylContact C-O 3.56Å; C417-V435 WeakPolarHBondContact CA-O 3.42Å; C417-C436 HydrophobicContact CB-CB 4.15Å; C417-C436 WeakPolarHBondContact CB-SG 3.46Å; C417-C436 WeakPolarHBondContact SG-CB 2.99Å; C417-C436 CovalentContact SG-SG 2.04Å; C417-C436 PolarHBondContact SG-SG 2.77Å
418V88.8Confident83Confident4 Ų442.4 Ų42.42%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-135.4143.2-173.2178.50000110.9L356 V365 V384 W385 I408 V420 V435L356-V418 HydrophobicContact CD1-CB 4.39Å; L356-V418 HydrophobicContact CD1-CG2 4.18Å; L356-V418 HydrophobicContact CD2-CB 4.09Å; L356-V418 HydrophobicContact CD2-CG2 3.85Å; V365-V418 HydrophobicContact CG1-CG1 4.04Å; V365-V418 HydrophobicContact CG2-CG1 4.43Å; V365-V418 HydrophobicContact CG2-CG2 4.49Å; V384-V418 HydrophobicContact CG1-CG1 3.45Å; V384-V418 VanDerWaalsContact CG1-CG1 3.45Å; W385-V418 WeakPolarHBondContact O-CA 3.31Å; I408-V418 HydrophobicContact CD1-CG2 4.48Å; V418-V420 HydrophobicContact CG1-CG2 4.37Å; V418-V435 PolarHBondContact N-O 3.31Å; V418-V435 PolarHBondContact O-N 3Å
419Q92.3Very high83.2Confident37 Ų3742.5 Ų42.517%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-123.8149.7163.9-67.4-178.5-79.400110.2V384 W385 L387 L431 S432 P434V384-Q419 WeakPolarHBondContact CA-O 3.43Å; W385-Q419 PolarHBondContact N-O 2.97Å; W385-Q419 PolarHBondContact O-N 2.85Å; L387-Q419 HydrophobicContact CD1-CG 3.86Å; L387-Q419 HydrophobicContact CG-CG 4.35Å; Q419-L431 HydrophobicContact CB-CD2 4.04Å; Q419-S432 WeakPolarHBondContact CA-OG 3.45Å; Q419-S432 PolarHBondContact NE2-O 2.73Å; Q419-P434 HydrophobicContact CG-CB 4.16Å
420V93.1Very high83.7Confident0 Ų042.3 Ų42.30%025%0.247CC..EExtended strand (participates in β ladder)trans-126.5139.4176.4-166.40000109.4P351 V354 V365 W367 Y382 Q383 V384 V418 S432P351-V420 HydrophobicContact CB-CG1 4.44Å; P351-V420 WeakPolarHBondContact CD-O 3.47Å; P351-V420 HydrophobicContact CG-CB 4.21Å; P351-V420 HydrophobicContact CG-CG1 3.96Å; V354-V420 HydrophobicContact CG1-CG2 3.92Å; V354-V420 HydrophobicContact CG2-CB 4.32Å; V354-V420 HydrophobicContact CG2-CG2 4.13Å; V365-V420 HydrophobicContact CG1-CG2 4.34Å; W367-V420 HydrophobicContact CD2-CG1 4.05Å; W367-V420 HydrophobicContact CD2-CG2 4.43Å; W367-V420 HydrophobicContact CE3-CG1 4.43Å; W367-V420 HydrophobicContact CE3-CG2 4.18Å; W367-V420 HydrophobicContact CG-CG1 4.3Å; Y382-V420 HydrophobicContact CD1-CG1 4.26Å; Y382-V420 HydrophobicContact CG-CG1 4.49Å; Q383-V420 CarbonylContact O-C 3.55Å; Q383-V420 WeakPolarHBondContact O-CA 3.13Å; V384-V420 HydrophobicContact CG1-CG2 4.43Å; V384-V420 HydrophobicContact CG2-CG1 4.12Å; V384-V420 HydrophobicContact CG2-CG2 4.29Å; V418-V420 HydrophobicContact CG1-CG2 4.37Å; V420-S432 PolarHBondContact N-OG 2.88Å; V420-S432 WeakPolarHBondContact O-CB 3.4Å; V420-S432 PolarHBondContact O-N 3.45Å
421A93.4Very high84.7Confident0 Ų044.9 Ų44.90%026%0.259CS..EExtended strand (participates in β ladder)trans-127.6146.6166.700000110.1Y382 Q383 W385 E430 L431Y382-A421 CarbonylContact C-O 3.58Å; Y382-A421 VanDerWaalsContact CA-O 3.31Å; Y382-A421 WeakPolarHBondContact CA-O 3.4Å; Q383-A421 PolarHBondContact N-O 2.8Å; Q383-A421 PolarHBondContact O-N 2.89Å; W385-A421 HydrophobicContact CH2-CB 3.92Å; W385-A421 HydrophobicContact CZ3-CB 3.61Å; A421-E430 WeakPolarHBondContact CB-O 3.13Å; A421-L431 HydrophobicContact CB-CD2 4.23Å
422A93.1Very high86.1Confident1 Ų133.8 Ų33.81%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-81.7150.217200000110.9P347 P351 P370 I379 Y382 G429P347-A422 HydrophobicContact CB-CB 4.29Å; P347-A422 HydrophobicContact CG-CB 3.93Å; P351-A422 HydrophobicContact CG-CB 4.32Å; P370-A422 HydrophobicContact CG-CB 3.67Å; I379-A422 HydrophobicContact CD1-CB 4.13Å; I379-A422 HydrophobicContact CG2-CB 4.28Å; Y382-A422 HydrophobicContact CD1-CB 3.96Å; Y382-A422 HydrophobicContact CE1-CB 3.78Å; A422-G429 PolarHBondContact O-N 3.41Å
423V91.6Very high87.3Confident25 Ų2532.5 Ų32.515%0.15222%0.22CC..EExtended strand (participates in β ladder)trans-126.3125-173.8-174.80000110.6R380 G381 Q383 G427 A428R380-V423 PolarHBondContact N-O 2.9Å; G381-V423 PolarHBondContact N-O 2.86Å; G381-V423 WeakPolarHBondContact O-CB 3.24Å; G381-V423 PolarHBondContact O-N 2.83Å; Q383-V423 HydrophobicContact CB-CG2 4.25Å; Q383-V423 HydrophobicContact CG-CG2 3.89Å; V423-G427 WeakPolarHBondContact CA-O 3.05Å; V423-A428 HydrophobicContact CG2-CB 4.15Å
424T90.5Very high88.3Confident5 Ų533.6 Ų33.63%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-105.4-176.9171.259.10000110.8K345 P347 H375 I378 I379 A426 G427K345-T424 PolarHBondContact O-OG1 2.96Å; P347-T424 HydrophobicContact CG-CG2 3.74Å; H375-T424 WeakPolarHBondContact O-CG2 3.36Å; I378-T424 WeakPolarHBondContact O-CA 3.1Å; I379-T424 HydrophobicContact CD1-CG2 3.89Å; T424-A426 PolarHBondContact O-N 2.99Å; T424-A426 VanDerWaalsContact O-N 3.14Å; T424-A426 PolarHBondContact OG1-N 2.9Å; T424-G427 PolarHBondContact N-O 2.87Å; T424-G427 PolarHBondContact O-N 2.61Å
425G84.9Confident89Confident44 Ų4434.5 Ų34.545%0.45423%0.229SC..THydrogen-bonded Turntrans-61.4-14.1170.700000114.6E344 R380E344-G425 WeakPolarHBondContact OE2-CA 3.3Å; E344-G425 PolarHBondContact OE2-N 3.35Å; R380-G425 VanDerWaalsContact CZ-CA 3.48Å
426A86.3Confident89.4Confident52 Ų5236.1 Ų36.143%0.4324%0.24SC..THydrogen-bonded Turntrans-90.7-17.8176.200000114.1E344 K345 V346 T424E344-A426 HydrophobicContact CB-CB 4.43Å; K345-A426 VanDerWaalsContact C-CB 3.49Å; V346-A426 HydrophobicContact CG1-CB 4.12Å; T424-A426 PolarHBondContact O-N 2.99Å; T424-A426 VanDerWaalsContact O-N 3.14Å; T424-A426 PolarHBondContact OG1-N 2.9Å
427G87.8Confident89.7Confident27 Ų2737 Ų3728%0.27825%0.245SC..EExtended strand (participates in β ladder)trans133.9-169.8-176.700000113.7V423 T424V423-G427 WeakPolarHBondContact CA-O 3.05Å; T424-G427 PolarHBondContact N-O 2.87Å; T424-G427 PolarHBondContact O-N 2.61Å
428A89.3Confident89.4Confident38 Ų3841.1 Ų41.131%0.31427%0.266SS..EExtended strand (participates in β ladder)trans-77.5139.4174.200000111.3V346 W385 V423V346-A428 WeakPolarHBondContact CG1-O 3.46Å; W385-A428 HydrophobicContact CH2-CB 4.4Å; V423-A428 HydrophobicContact CG2-CB 4.15Å
429G90.5Very high88.8Confident15 Ų1542.6 Ų42.616%0.15527%0.273CS..EExtended strand (participates in β ladder)trans-87.2-157.9174.200000113.3P347 A422P347-G429 VanDerWaalsContact O-CA 3.26Å; P347-G429 WeakPolarHBondContact O-CA 3.46Å; A422-G429 PolarHBondContact O-N 3.41Å
430E91Very high87.6Confident114 Ų11448.5 Ų48.553%0.53330%0.301SS..EExtended strand (participates in β ladder)trans-62.1142.4179-170167.6-152.100112.7P347 P350 A421P347-E430 PolarHBondContact O-N 3.14Å; P350-E430 HydrophobicContact CB-CB 4.49Å; P350-E430 WeakPolarHBondContact CD-OE2 3.5Å; A421-E430 WeakPolarHBondContact CB-O 3.13Å
431L91.1Very high85.9Confident77 Ų7756 Ų5640%0.40334%0.336SS..EExtended strand (participates in β ladder)trans-79.3137.5176.6-75.7158.6000110.6W385 Q419 A421W385-L431 HydrophobicContact CD2-CD2 4.2Å; W385-L431 HydrophobicContact CE3-CD2 3.46Å; W385-L431 VanDerWaalsContact CE3-CD2 3.46Å; W385-L431 HydrophobicContact CH2-CD2 3.91Å; W385-L431 HydrophobicContact CZ3-CD2 3.3Å; Q419-L431 HydrophobicContact CB-CD2 4.04Å; A421-L431 HydrophobicContact CB-CD2 4.23Å
432S94.1Very high83.7Confident3 Ų360.5 Ų60.52%0.02137%0.373CS..PPolyproline II helixtrans-58159.1168.975.90000111.6Q419 V420Q419-S432 WeakPolarHBondContact CA-OG 3.45Å; Q419-S432 PolarHBondContact NE2-O 2.73Å; V420-S432 PolarHBondContact N-OG 2.88Å; V420-S432 WeakPolarHBondContact O-CB 3.4Å; V420-S432 PolarHBondContact O-N 3.45Å
433S89.4Confident81.1Confident88 Ų8869.3 Ų69.362%0.61542%0.416SS*.PPolyproline II helixtrans-54.8149161.649.50000110.5V435S433-V435 PolarHBondContact O-N 2.91Å
434P89.4Confident78.7Confident78 Ų7875.3 Ų75.351%0.50644%0.442SS..PPolyproline II helixtrans-72.5120.1-179.429.5-35.2000110.7L387 Q419L387-P434 HydrophobicContact CD1-CB 3.49Å; L387-P434 VanDerWaalsContact CD1-CB 3.49Å; Q419-P434 HydrophobicContact CG-CB 4.16Å
435V88.9Confident76Confident36 Ų3685.7 Ų85.722%0.21848%0.481CS..EExtended strand (participates in β ladder)trans-104.7129177.2-178.90000108.4V354 L356 C417 V418 S433V354-V435 HydrophobicContact CB-CG2 3.96Å; V354-V435 HydrophobicContact CG1-CB 4.19Å; V354-V435 HydrophobicContact CG1-CG2 3.88Å; V354-V435 WeakPolarHBondContact O-CG2 2.97Å; L356-V435 HydrophobicContact CD1-CG1 4.22Å; L356-V435 VanDerWaalsContact CD1-O 3.29Å; L356-V435 WeakPolarHBondContact CD1-O 3.17Å; L356-V435 HydrophobicContact CG-CG1 4.05Å; C417-V435 CarbonylContact C-O 3.56Å; C417-V435 WeakPolarHBondContact CA-O 3.42Å; V418-V435 PolarHBondContact N-O 3.31Å; V418-V435 PolarHBondContact O-N 3Å; S433-V435 PolarHBondContact O-N 2.91Å
436C87Confident73.4Confident74 Ų7488.1 Ų88.150%0.550%0.497SS..EExtended strand (participates in β ladder)trans-124.1139.1-173.5-61.50000112.2Y416 C417Y416-C436 CarbonylContact O-C 3.55Å; Y416-C436 WeakPolarHBondContact O-CA 3.33Å; C417-C436 HydrophobicContact CB-CB 4.15Å; C417-C436 WeakPolarHBondContact CB-SG 3.46Å; C417-C436 WeakPolarHBondContact SG-CB 2.99Å; C417-C436 CovalentContact SG-SG 2.04Å; C417-C436 PolarHBondContact SG-SG 2.77Å
437L84.3Confident71Confident35 Ų3592.7 Ų92.718%0.18352%0.52CS..EExtended strand (participates in β ladder)trans-125.5128.4175.2-178.472.6000109.9L356 P358 V363 S415 Y416L356-L437 HydrophobicContact CB-CB 3.82Å; L356-L437 HydrophobicContact CB-CD2 4.13Å; L356-L437 HydrophobicContact CB-CG 4.47Å; L356-L437 HydrophobicContact CD1-CB 3.82Å; L356-L437 HydrophobicContact CG-CB 4.49Å; P358-L437 HydrophobicContact CB-CD2 4.2Å; V363-L437 HydrophobicContact CG1-CD2 3.99Å; V363-L437 HydrophobicContact CG2-CD2 3.74Å; S415-L437 WeakPolarHBondContact CA-O 3.41Å; Y416-L437 PolarHBondContact N-O 3.04Å; Y416-L437 PolarHBondContact O-N 3.1Å
438L80.1Confident68.4Low111 Ų111101.6 Ų101.658%0.58155%0.545SS*.EExtended strand (participates in β ladder)trans-90.5119.4170.9-176.364.9000109.6E440L438-E440 HydrophobicContact CD2-CG 4.13Å; L438-E440 HydrophobicContact CG-CG 4.15Å
439L76.4Confident65.5Low35 Ų35107.3 Ų107.318%0.18357%0.565CS.*EExtended strand (participates in β ladder)trans-101.794176.5-170.769.5000109.8P358 T410 P413 G414 Y416P358-L439 HydrophobicContact CB-CD1 3.94Å; T410-L439 HydrophobicContact CG2-CD2 3.98Å; P413-L439 WeakPolarHBondContact CA-O 3.16Å; P413-L439 WeakPolarHBondContact CB-O 3.29Å; G414-L439 PolarHBondContact N-O 3.46Å; G414-L439 VanDerWaalsContact N-O 3.14Å; G414-L439 PolarHBondContact O-N 2.8Å; Y416-L439 HydrophobicContact CD2-CB 4.33Å; Y416-L439 HydrophobicContact CE2-CB 4.32Å; Y416-L439 HydrophobicContact CE2-CD2 4.31Å
440E67.9Low63.4Low161 Ų161112.3 Ų112.375%0.75260%0.595SS**  trans-76.7147.6173.6-62.7-16815200111.6L438L438-E440 HydrophobicContact CD2-CG 4.13Å; L438-E440 HydrophobicContact CG-CG 4.15Å
441Q57.7Low60.4Low157 Ų157112.1 Ų112.173%0.73461%0.606SS**  trans-88.8112.9-177.4-171.1173.59.200110.9P413 M443P413-Q441 HydrophobicContact CB-CB 4.13Å; P413-Q441 HydrophobicContact CG-CB 4.29Å; Q441-M443 PolarHBondContact O-N 3.43Å
442A45.7Very low57.6Low94 Ų94116.1 Ų116.178%0.77762%0.623SS**  trans-62.4106.2170.800000110.5E444A442-E444 PolarHBondContact O-N 2.87Å
443M40.2Very low54.9Low186 Ų186123.2 Ų123.292%0.91666%0.655SS**  trans-79.683.8-178.1-175.5-178.165.300111Q441Q441-M443 PolarHBondContact O-N 3.43Å
444E39.7Very low52.9Low151 Ų151121.8 Ų121.871%0.70665%0.654SS**  trans-114.8135.7170.7-74.1-155.6142.600113.6A442A442-E444 PolarHBondContact O-N 2.87Å
445R34.1Very low51.2Low223 Ų223124.1 Ų124.184%0.84267%0.67SS**SBendtrans79.6121-172.8-49.1171-153.378.1-3.3113.7
446A31.5Very low49.4Very low96 Ų96130 Ų13079%0.79369%0.688SS**  cis-161.4134.4-8.800000112.8
447T34.7Very low48.3Very low147 Ų147130.6 Ų130.690%0.90269%0.69SS**  trans-135.8144.8148.641.10000109
448R32.6Very low47Very low214 Ų214135.4 Ų135.481%0.80872%0.715SS**  trans-81.5151.5-162-59170.9102.7100.7-7114.2
449E29.7Very low46.2Very low159 Ų159135.6 Ų135.674%0.74371%0.713SS**  trans70.3155.3140.9-77.1164.1-130.300118.2
450P46.1Very low45.3Very low119 Ų119137.6 Ų137.677%0.77372%0.721SS**  trans-124.5149.3-131.840.2-29.2000116.5
451S27.3Very low44.9Very low111 Ų111134.3 Ų134.378%0.77671%0.708SS**  trans-161.1147.513854.30000112.3
452E32.4Very low45.2Very low161 Ų161133.4 Ų133.475%0.75270%0.698SS**  trans1.7137.1149.3-51.1174.4152.200117
453H38.3Very low46.2Very low151 Ų151131.8 Ų131.870%0.69968%0.684SS**  -148.1145.951.3-75.655.7000113
454G47.8Very low47.3Very low58 Ų58125 Ų12560%0.59865%0.654SS**  trans-76.9175.4168.400000113.8
455P51.8Low48.4Very low127 Ų127123 Ų12383%0.82565%0.647SS**SBendtrans-61.6143.4-179.925.5-34.1000112.6T457P455-T457 PolarHBondContact O-N 2.79Å
456W52.3Low49.9Very low159 Ų159119.9 Ų119.960%0.60264%0.64SS**PPolyproline II helixtrans-65126.7-170-70.366.3000112.4Q460 T464W456-Q460 HydrophobicContact CE3-CB 3.85Å; W456-Q460 HydrophobicContact CE3-CG 3.68Å; W456-Q460 HydrophobicContact CZ3-CB 4.45Å; W456-Q460 HydrophobicContact CZ3-CG 3.94Å; W456-T464 HydrophobicContact CH2-CG2 4.03Å; W456-T464 HydrophobicContact CZ3-CG2 3.62Å
457T64.5Low52Low88 Ų88122.4 Ų122.454%0.5463%0.629SS.*PPolyproline II helixtrans-73.5155.5171.361.30000111.2P455 E459 Q460 L461P455-T457 PolarHBondContact O-N 2.79Å; T457-E459 VanDerWaalsContact C-N 3.27Å; T457-E459 PolarHBondContact O-N 3.35Å; T457-Q460 WeakPolarHBondContact O-CA 3.34Å; T457-Q460 WeakPolarHBondContact O-CB 3.45Å; T457-Q460 PolarHBondContact O-N 3Å; T457-Q460 PolarHBondContact OG1-OE1 2.7Å; T457-L461 PolarHBondContact O-N 3.29Å
458L56.3Low53.8Low136 Ų136120.2 Ų120.271%0.71262%0.617SS**Hα-helixtrans-64.9-28.2-170.1-160.9141.6000113.3R462L458-R462 PolarHBondContact O-N 3.44Å
459E62.9Low55.8Low115 Ų115116.6 Ų116.654%0.53761%0.609SS.*Hα-helixtrans-69.6-33.2170.3-76.5-58.9118.500113.1T457 L461 R462 A463T457-E459 VanDerWaalsContact C-N 3.27Å; T457-E459 PolarHBondContact O-N 3.35Å; E459-L461 VanDerWaalsContact C-N 3.34Å; E459-L461 PolarHBondContact O-N 3.19Å; E459-R462 CarbonylContact O-C 3.55Å; E459-R462 WeakPolarHBondContact O-CA 3.42Å; E459-R462 WeakPolarHBondContact O-CB 3.32Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 VanDerWaalsContact O-N 3.12Å; E459-R462 VanDerWaalsContact OE1-CD 3.3Å; E459-R462 WeakPolarHBondContact OE1-CD 3.35Å; E459-R462 IonicContact OE1-CZ 3.82Å; E459-R462 IonicContact OE1-NE 2.81Å; E459-R462 IonicContact OE1-NH1 3.56Å; E459-R462 PolarHBondContact OE1-NH1 3.02Å; E459-A463 PolarHBondContact O-N 3.12Å
460Q58Low58Low76 Ų76111.5 Ų111.536%0.35559%0.589SS.*Hα-helixtrans-68.5-35.9-180-143.2165.9-4.600111.1W456 T457 A463 T464W456-Q460 HydrophobicContact CE3-CB 3.85Å; W456-Q460 HydrophobicContact CE3-CG 3.68Å; W456-Q460 HydrophobicContact CZ3-CB 4.45Å; W456-Q460 HydrophobicContact CZ3-CG 3.94Å; T457-Q460 WeakPolarHBondContact O-CA 3.34Å; T457-Q460 WeakPolarHBondContact O-CB 3.45Å; T457-Q460 PolarHBondContact O-N 3Å; T457-Q460 PolarHBondContact OG1-OE1 2.7Å; Q460-A463 PolarHBondContact O-N 2.9Å; Q460-T464 PolarHBondContact O-N 2.88Å
461L59.4Low59.3Low93 Ų93110.7 Ų110.749%0.48758%0.577SS.*Hα-helixtrans-71.3-31.3171-141.4162.5000111.7T457 E459 A463 T464 L465T457-L461 PolarHBondContact O-N 3.29Å; E459-L461 VanDerWaalsContact C-N 3.34Å; E459-L461 PolarHBondContact O-N 3.19Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-T464 PolarHBondContact O-OG1 3.03Å; L461-L465 HydrophobicContact CD2-CD1 3.96Å; L461-L465 PolarHBondContact O-N 2.87Å
462R63.3Low61.7Low138 Ų138108.1 Ų108.152%0.52156%0.562SS.*Hα-helixtrans-68.1-29.8172.1-137.4174.3-154.4160.27112.9L458 E459 K466L458-R462 PolarHBondContact O-N 3.44Å; E459-R462 CarbonylContact O-C 3.55Å; E459-R462 WeakPolarHBondContact O-CA 3.42Å; E459-R462 WeakPolarHBondContact O-CB 3.32Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 VanDerWaalsContact O-N 3.12Å; E459-R462 VanDerWaalsContact OE1-CD 3.3Å; E459-R462 WeakPolarHBondContact OE1-CD 3.35Å; E459-R462 IonicContact OE1-CZ 3.82Å; E459-R462 IonicContact OE1-NE 2.81Å; E459-R462 IonicContact OE1-NH1 3.56Å; E459-R462 PolarHBondContact OE1-NH1 3.02Å; R462-K466 WeakPolarHBondContact O-CG 3.25Å
463A67.1Low63.9Low59 Ų59104.6 Ų104.649%0.48855%0.552SS.*Hα-helixtrans-77.5-36.6177.500000112.9E459 Q460 L461 K466E459-A463 PolarHBondContact O-N 3.12Å; Q460-A463 PolarHBondContact O-N 2.9Å; L461-A463 VanDerWaalsContact C-N 3.32Å; A463-K466 PolarHBondContact O-N 2.87Å
464T63.8Low65.6Low45 Ų45101.2 Ų101.228%0.27654%0.544SS..Hα-helixtrans-70.2-40.9176.348.10000112.2W456 Q460 L461 K466 R467W456-T464 HydrophobicContact CH2-CG2 4.03Å; W456-T464 HydrophobicContact CZ3-CG2 3.62Å; Q460-T464 PolarHBondContact O-N 2.88Å; L461-T464 PolarHBondContact O-OG1 3.03Å; T464-K466 PolarHBondContact O-N 3.01Å; T464-K466 VanDerWaalsContact O-N 3.17Å; T464-R467 WeakPolarHBondContact O-CB 3.44Å; T464-R467 PolarHBondContact O-N 2.84Å; T464-R467 VanDerWaalsContact O-N 3.1Å
465L62.3Low67.3Low108 Ų108100.2 Ų100.257%0.56553%0.534SS*.THydrogen-bonded Turntrans-63.4-15.8173.7-78.5166.9000114.4L461L461-L465 HydrophobicContact CD2-CD1 3.96Å; L461-L465 PolarHBondContact O-N 2.87Å
466K65.8Low68.9Low158 Ų15898.4 Ų98.469%0.68752%0.52SS*.THydrogen-bonded Turntrans-90.5-2.5175-78.1179177.11790114.2R462 A463 T464R462-K466 WeakPolarHBondContact O-CG 3.25Å; A463-K466 PolarHBondContact O-N 2.87Å; T464-K466 PolarHBondContact O-N 3.01Å; T464-K466 VanDerWaalsContact O-N 3.17Å
467R74.8Confident70.3Confident149 Ų14995.1 Ų95.156%0.56252%0.518SS*.  trans-70.4132.2177-68.1-172.5178.7-160.31.7110.5T464 E469 V470 I471T464-R467 WeakPolarHBondContact O-CB 3.44Å; T464-R467 PolarHBondContact O-N 2.84Å; T464-R467 VanDerWaalsContact O-N 3.1Å; R467-E469 PolarHBondContact O-N 2.82Å; R467-V470 HydrophobicContact CB-CG2 4.13Å; R467-V470 PolarHBondContact O-N 3.38Å; R467-V470 VanDerWaalsContact O-N 3.08Å; R467-I471 PolarHBondContact O-N 2.81Å
468P73.3Confident71.1Confident100 Ų10095.9 Ų95.965%0.64952%0.518SS*.Hα-helixtrans-62.4-30.2-174.324.3-34000113I471 A472P468-I471 PolarHBondContact O-N 3.19Å; P468-A472 VanDerWaalsContact O-CB 3.24Å; P468-A472 WeakPolarHBondContact O-CB 3.35Å; P468-A472 PolarHBondContact O-N 3.21Å
469E75.3Confident72.5Confident139 Ų13997.4 Ų97.465%0.6551%0.514SS*.Hα-helixtrans-63.9-37.8176.1-63.3161.9175.900112.7R467 T473R467-E469 PolarHBondContact O-N 2.82Å; E469-T473 WeakPolarHBondContact O-CG2 3.49Å; E469-T473 PolarHBondContact O-N 2.91Å; E469-T473 PolarHBondContact O-OG1 2.03Å
470V75.1Confident73.6Confident51 Ų5196.9 Ų96.931%0.30952%0.515SS..Hα-helixtrans-73.6-42.6178.2-178.10000110R467 A472 T473 C474R467-V470 HydrophobicContact CB-CG2 4.13Å; R467-V470 PolarHBondContact O-N 3.38Å; R467-V470 VanDerWaalsContact O-N 3.08Å; V470-A472 VanDerWaalsContact C-N 3.33Å; V470-A472 PolarHBondContact O-N 2.93Å; V470-T473 WeakPolarHBondContact CA-OG1 3.45Å; V470-T473 PolarHBondContact O-N 3.47Å; V470-T473 PolarHBondContact O-OG1 2.88Å; V470-T473 VanDerWaalsContact O-OG1 3.06Å; V470-C474 WeakPolarHBondContact O-CB 3.41Å; V470-C474 PolarHBondContact O-N 2.82Å; V470-C474 PolarHBondContact O-SG 3.16Å
471I74.4Confident74.7Confident103 Ų10398.6 Ų98.653%0.52853%0.526SS..Hα-helixtrans-63.3-40.6175.1-61.4171.9000110.8R467 P468 G475R467-I471 PolarHBondContact O-N 2.81Å; P468-I471 PolarHBondContact O-N 3.19Å; I471-G475 PolarHBondContact O-N 2.95Å
472A76.6Confident76Confident56 Ų5699 Ų9946%0.46353%0.528SS..Hα-helixtrans-65.7-44.3177.300000112.5P468 V470 G475 V476P468-A472 VanDerWaalsContact O-CB 3.24Å; P468-A472 WeakPolarHBondContact O-CB 3.35Å; P468-A472 PolarHBondContact O-N 3.21Å; V470-A472 VanDerWaalsContact C-N 3.33Å; V470-A472 PolarHBondContact O-N 2.93Å; A472-G475 PolarHBondContact O-N 3.09Å; A472-V476 WeakPolarHBondContact O-CG2 3.43Å; A472-V476 PolarHBondContact O-N 2.9Å
473T79.2Confident77.1Confident88 Ų8896.4 Ų96.454%0.5452%0.524SS..Hα-helixtrans-67.7-44178.743.80000112.3E469 V470 G475 V476 V477E469-T473 WeakPolarHBondContact O-CG2 3.49Å; E469-T473 PolarHBondContact O-N 2.91Å; E469-T473 PolarHBondContact O-OG1 2.03Å; V470-T473 WeakPolarHBondContact CA-OG1 3.45Å; V470-T473 PolarHBondContact O-N 3.47Å; V470-T473 PolarHBondContact O-OG1 2.88Å; V470-T473 VanDerWaalsContact O-OG1 3.06Å; T473-G475 VanDerWaalsContact C-N 3.29Å; T473-G475 PolarHBondContact O-N 2.86Å; T473-V476 PolarHBondContact O-N 2.94Å; T473-V477 WeakPolarHBondContact O-CG2 3.47Å; T473-V477 PolarHBondContact O-N 3.2Å
474C74.4Confident77.8Confident79 Ų7995.6 Ų95.653%0.53452%0.522SS..Hα-helixtrans-60.2-39.5170.2-70.60000112.1V470 V477 L478V470-C474 WeakPolarHBondContact O-CB 3.41Å; V470-C474 PolarHBondContact O-N 2.82Å; V470-C474 PolarHBondContact O-SG 3.16Å; C474-V477 PolarHBondContact O-N 2.67Å; C474-L478 WeakPolarHBondContact O-CB 3.24Å; C474-L478 PolarHBondContact O-N 2.97Å
475G81.8Confident78.5Confident37 Ų3797 Ų9738%0.38153%0.53SS..Hα-helixtrans-61.3-44.4175.400000113.1I471 A472 T473 L478 W479I471-G475 PolarHBondContact O-N 2.95Å; A472-G475 PolarHBondContact O-N 3.09Å; T473-G475 VanDerWaalsContact C-N 3.29Å; T473-G475 PolarHBondContact O-N 2.86Å; G475-L478 PolarHBondContact O-N 3.17Å; G475-W479 WeakPolarHBondContact O-CB 3.33Å; G475-W479 PolarHBondContact O-N 3.31Å
476V86.1Confident79.4Confident89 Ų8994.4 Ų94.454%0.53952%0.524SS..Hα-helixtrans-64.2-43.6176.4168.60000111.5A472 T473 W479 L480A472-V476 WeakPolarHBondContact O-CG2 3.43Å; A472-V476 PolarHBondContact O-N 2.9Å; T473-V476 PolarHBondContact O-N 2.94Å; V476-W479 PolarHBondContact O-N 2.86Å; V476-L480 HydrophobicContact CG1-CD1 4.03Å; V476-L480 HydrophobicContact CG1-CG 4.49Å; V476-L480 WeakPolarHBondContact O-CG 3.31Å; V476-L480 PolarHBondContact O-N 2.81Å
477V81.3Confident80.1Confident90 Ų9090.4 Ų90.455%0.54551%0.513SS..Hα-helixtrans-62.6-43.8176.7173.40000111.2T473 C474 W479 L480 L481T473-V477 WeakPolarHBondContact O-CG2 3.47Å; T473-V477 PolarHBondContact O-N 3.2Å; C474-V477 PolarHBondContact O-N 2.67Å; V477-W479 PolarHBondContact O-N 2.89Å; V477-L480 PolarHBondContact O-N 3.49Å; V477-L481 HydrophobicContact CG1-CD1 4.23Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 2.98Å
478L82.3Confident80Confident104 Ų10487 Ų8755%0.54551%0.511SS..Hα-helixtrans-63.8-40175.5-17662000111.8C474 G475 L481 L482C474-L478 WeakPolarHBondContact O-CB 3.24Å; C474-L478 PolarHBondContact O-N 2.97Å; G475-L478 PolarHBondContact O-N 3.17Å; L478-L481 PolarHBondContact O-N 2.89Å; L478-L482 HydrophobicContact CD1-CD1 4.47Å; L478-L482 HydrophobicContact CG-CD1 4.12Å; L478-L482 WeakPolarHBondContact O-CB 3.49Å; L478-L482 VanDerWaalsContact O-CG 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.45Å; L478-L482 PolarHBondContact O-N 2.88Å
479W86.3Confident80.1Confident168 Ų16886.5 Ų86.564%0.63650%0.502SS*.Hα-helixtrans-66.4-39.1177.9-15787.9000112.1G475 V476 V477 L482 L483G475-W479 WeakPolarHBondContact O-CB 3.33Å; G475-W479 PolarHBondContact O-N 3.31Å; V476-W479 PolarHBondContact O-N 2.86Å; V477-W479 PolarHBondContact O-N 2.89Å; W479-L482 PolarHBondContact O-N 2.82Å; W479-L483 HydrophobicContact CE3-CB 4.5Å; W479-L483 HydrophobicContact CE3-CD2 4.49Å; W479-L483 HydrophobicContact CH2-CD1 4.1Å; W479-L483 HydrophobicContact CZ3-CD1 4.14Å; W479-L483 HydrophobicContact CZ3-CD2 3.9Å; W479-L483 HydrophobicContact CZ3-CG 4.43Å; W479-L483 VanDerWaalsContact O-CB 3.3Å; W479-L483 WeakPolarHBondContact O-CB 3.36Å; W479-L483 PolarHBondContact O-N 2.76Å
480L85.5Confident80.1Confident104 Ų10484.8 Ų84.855%0.54549%0.494SS..Hα-helixtrans-65.3-39173.9-71.7169.3000112.4V476 V477 L483 G484V476-L480 HydrophobicContact CG1-CD1 4.03Å; V476-L480 HydrophobicContact CG1-CG 4.49Å; V476-L480 WeakPolarHBondContact O-CG 3.31Å; V476-L480 PolarHBondContact O-N 2.81Å; V477-L480 PolarHBondContact O-N 3.49Å; L480-L483 PolarHBondContact O-N 2.86Å; L480-G484 PolarHBondContact O-N 2.86Å
481L81.7Confident80Confident113 Ų11391.8 Ų91.859%0.59251%0.514SS*.Hα-helixtrans-65.8-41.4173.6-74.8166000112.2V477 L478 G484 T485V477-L481 HydrophobicContact CG1-CD1 4.23Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 2.98Å; L478-L481 PolarHBondContact O-N 2.89Å; L481-G484 PolarHBondContact O-N 2.85Å; L481-T485 WeakPolarHBondContact O-CG2 3.4Å; L481-T485 PolarHBondContact O-N 2.98Å; L481-T485 PolarHBondContact O-OG1 2.66Å
482L86.6Confident79.5Confident102 Ų10296.8 Ų96.853%0.53453%0.527SS..Hα-helixtrans-67.1-37.4174.7-71.5170.7000112.1L478 W479 T485 A486L478-L482 HydrophobicContact CD1-CD1 4.47Å; L478-L482 HydrophobicContact CG-CD1 4.12Å; L478-L482 WeakPolarHBondContact O-CB 3.49Å; L478-L482 VanDerWaalsContact O-CG 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.45Å; L478-L482 PolarHBondContact O-N 2.88Å; W479-L482 PolarHBondContact O-N 2.82Å; L482-T485 WeakPolarHBondContact CA-OG1 3.39Å; L482-T485 PolarHBondContact O-OG1 3.02Å; L482-T485 VanDerWaalsContact O-OG1 3.07Å; L482-A486 WeakPolarHBondContact O-CB 3.32Å; L482-A486 PolarHBondContact O-N 2.85Å
483L86Confident79Confident82 Ų82104.1 Ų104.143%0.42954%0.542SS..Hα-helixtrans-67.4-44.1174.9-164.976000111.4W479 L480 A486 V487W479-L483 HydrophobicContact CE3-CB 4.5Å; W479-L483 HydrophobicContact CE3-CD2 4.49Å; W479-L483 HydrophobicContact CH2-CD1 4.1Å; W479-L483 HydrophobicContact CZ3-CD1 4.14Å; W479-L483 HydrophobicContact CZ3-CD2 3.9Å; W479-L483 HydrophobicContact CZ3-CG 4.43Å; W479-L483 VanDerWaalsContact O-CB 3.3Å; W479-L483 WeakPolarHBondContact O-CB 3.36Å; W479-L483 PolarHBondContact O-N 2.76Å; L480-L483 PolarHBondContact O-N 2.86Å; L483-A486 PolarHBondContact O-N 3.32Å; L483-V487 WeakPolarHBondContact O-CB 3.33Å; L483-V487 WeakPolarHBondContact O-CG2 3.44Å; L483-V487 PolarHBondContact O-N 2.84Å
484G81.4Confident78.3Confident43 Ų43109.6 Ų109.644%0.44355%0.553SS.*Hα-helixtrans-62.1-44.1176.800000112.8L480 L481 V487 C488L480-G484 PolarHBondContact O-N 2.86Å; L481-G484 PolarHBondContact O-N 2.85Å; G484-V487 PolarHBondContact O-N 2.95Å; G484-C488 WeakPolarHBondContact O-CB 3.36Å; G484-C488 PolarHBondContact O-N 2.86Å
485T78.6Confident77.4Confident75 Ų75109.4 Ų109.446%0.4656%0.557SS.*Hα-helixtrans-67.9-39.6174.949.10000112L481 L482 C488 I489L481-T485 WeakPolarHBondContact O-CG2 3.4Å; L481-T485 PolarHBondContact O-N 2.98Å; L481-T485 PolarHBondContact O-OG1 2.66Å; L482-T485 WeakPolarHBondContact CA-OG1 3.39Å; L482-T485 PolarHBondContact O-OG1 3.02Å; L482-T485 VanDerWaalsContact O-OG1 3.07Å; T485-C488 WeakPolarHBondContact O-CB 3.11Å; T485-C488 PolarHBondContact O-N 3.24Å; T485-I489 VanDerWaalsContact O-CG1 3.3Å; T485-I489 WeakPolarHBondContact O-CG1 3.43Å; T485-I489 PolarHBondContact O-N 2.74Å
486A80.6Confident76.1Confident53 Ų53111 Ų11144%0.43857%0.574SS.*Hα-helixtrans-62-42173.400000112.7L482 L483 C488 I489 H490L482-A486 WeakPolarHBondContact O-CB 3.32Å; L482-A486 PolarHBondContact O-N 2.85Å; L483-A486 PolarHBondContact O-N 3.32Å; A486-C488 VanDerWaalsContact C-N 3.34Å; A486-I489 PolarHBondContact O-N 2.9Å; A486-H490 WeakPolarHBondContact O-CB 3.41Å; A486-H490 PolarHBondContact O-N 2.93Å
487V80.4Confident74.1Confident74 Ų74113 Ų11345%0.44859%0.586SS.*Hα-helixtrans-63.4-40.4173.9168.30000111.2L483 G484 H490 R491L483-V487 WeakPolarHBondContact O-CB 3.33Å; L483-V487 WeakPolarHBondContact O-CG2 3.44Å; L483-V487 PolarHBondContact O-N 2.84Å; G484-V487 PolarHBondContact O-N 2.95Å; V487-H490 PolarHBondContact O-N 2.83Å; V487-R491 WeakPolarHBondContact O-CB 3.18Å; V487-R491 WeakPolarHBondContact O-CG 3.28Å; V487-R491 PolarHBondContact O-N 3.29Å
488C73.1Confident72.2Confident76 Ų76117.5 Ų117.551%0.51460%0.6SS.*Hα-helixtrans-63.4-44.3175.8-1610000111.9G484 T485 A486 R491 R492G484-C488 WeakPolarHBondContact O-CB 3.36Å; G484-C488 PolarHBondContact O-N 2.86Å; T485-C488 WeakPolarHBondContact O-CB 3.11Å; T485-C488 PolarHBondContact O-N 3.24Å; A486-C488 VanDerWaalsContact C-N 3.34Å; C488-R491 PolarHBondContact O-N 2.72Å; C488-R492 PolarHBondContact O-N 2.98Å
489I75.4Confident70.1Confident90 Ų90120.7 Ų120.746%0.46262%0.617SS.*Hα-helixtrans-67.1-40.8176.6-67.7164.9000111.3T485 A486 R492 R493T485-I489 VanDerWaalsContact O-CG1 3.3Å; T485-I489 WeakPolarHBondContact O-CG1 3.43Å; T485-I489 PolarHBondContact O-N 2.74Å; A486-I489 PolarHBondContact O-N 2.9Å; I489-R492 PolarHBondContact O-N 3.07Å; I489-R493 HydrophobicContact CG2-CG 4.42Å; I489-R493 WeakPolarHBondContact O-CG 3.35Å; I489-R493 PolarHBondContact O-N 3.06Å
490H75.6Confident67.8Low104 Ų104115.7 Ų115.748%0.48162%0.618SS.*Hα-helixtrans-64.8-43.2177.1-175.164.4000111.5A486 V487 R493 R494A486-H490 WeakPolarHBondContact O-CB 3.41Å; A486-H490 PolarHBondContact O-N 2.93Å; V487-H490 PolarHBondContact O-N 2.83Å; H490-R493 PolarHBondContact O-N 3.37Å; H490-R494 PolarHBondContact NE2-NH1 2.81Å; H490-R494 PolarHBondContact O-N 3.29Å; H490-R494 VanDerWaalsContact O-N 3.12Å
491R72.9Confident65.6Low197 Ų197117.6 Ų117.674%0.74364%0.637SS**Hα-helixtrans-60.8-43.4172.5-75.7-174.9175-162.2-0.8111.9V487 C488 R493 R494V487-R491 WeakPolarHBondContact O-CB 3.18Å; V487-R491 WeakPolarHBondContact O-CG 3.28Å; V487-R491 PolarHBondContact O-N 3.29Å; C488-R491 PolarHBondContact O-N 2.72Å; R491-R493 PolarHBondContact O-N 3.03Å; R491-R494 PolarHBondContact O-N 3.28Å
492R62.8Low63.3Low209 Ų209115.5 Ų115.579%0.78964%0.642SS**Hα-helixtrans-61.6-40174-87.6-171.6170-170.1-2113.5C488 I489C488-R492 PolarHBondContact O-N 2.98Å; I489-R492 PolarHBondContact O-N 3.07Å
493R66.7Low60.8Low210 Ų210118.3 Ų118.379%0.79266%0.657SS**Hα-helixtrans-76-21.8-178.5-72.3-174-174.9-163.93.2114.3I489 H490 R491I489-R493 HydrophobicContact CG2-CG 4.42Å; I489-R493 WeakPolarHBondContact O-CG 3.35Å; I489-R493 PolarHBondContact O-N 3.06Å; H490-R493 PolarHBondContact O-N 3.37Å; R491-R493 PolarHBondContact O-N 3.03Å
494R64.3Low58.1Low203 Ų203123.5 Ų123.577%0.76667%0.672SS**Hα-helixtrans-87.7-16.5-178.8-128.7173.6-179.1172.3-6114.3H490 R491 G496H490-R494 PolarHBondContact NE2-NH1 2.81Å; H490-R494 PolarHBondContact O-N 3.29Å; H490-R494 VanDerWaalsContact O-N 3.12Å; R491-R494 PolarHBondContact O-N 3.28Å; R494-G496 PolarHBondContact O-N 3.05Å
495A57Low56.2Low75 Ų75133.3 Ų133.362%0.6270%0.696SS**SBendtrans-99.857177.600000111.3V497A495-V497 PolarHBondContact O-N 2.68Å
496G53.4Low53.9Low71 Ų71139 Ų13973%0.73271%0.71SS**  trans-63.299-164.800000115.4R494R494-G496 PolarHBondContact O-N 3.05Å
497V44.9Very low51.8Low129 Ų129142.4 Ų142.478%0.78273%0.726SS**  trans-142.1140.3172.3178.60000109.2A495A495-V497 PolarHBondContact O-N 2.68Å
498H41.2Very low49.3Very low185 Ų185143.9 Ų143.986%0.85674%0.739SS**  trans-77.7145.2173.5-67.1-84.5000112.2
499L37.4Very low47.2Very low171 Ų171148.8 Ų148.890%0.89575%0.752SS**  trans-152.6129.3154.2-101.4136.4000109.2
500G37.4Very low45.1Very low63 Ų63151.5 Ų151.565%0.64977%0.767SS**  trans-87.5157.4177.500000112.5G502G500-G502 PolarHBondContact O-N 2.92Å
501P39.5Very low42.8Very low145 Ų145150.2 Ų150.294%0.94277%0.774SS**  trans-79105.1179.231.6-32.8000111.2
502G33.5Very low40.8Very low69 Ų69148.1 Ų148.171%0.71178%0.777SS**  trans-137.5114.1169.400000108.3G500G500-G502 PolarHBondContact O-N 2.92Å
503L34.8Very low39.3Very low160 Ų160145.5 Ų145.584%0.83878%0.777SS**  trans-51.8144.3-165.9-9279.2000113.7
504Y29Very low37.4Very low191 Ų191143.7 Ų143.775%0.74978%0.775SS**  -141.1146.5110.5-116.2-69.5000111.7Y506Y504-Y506 HydrophobicContact CD1-CD2 4.24Å; Y504-Y506 HydrophobicContact CD1-CG 4.36Å; Y504-Y506 HydrophobicContact CE1-CD2 4.5Å; Y504-Y506 PolarHBondContact O-N 3.27Å; Y504-Y506 VanDerWaalsContact O-N 3.09Å
505R42.1Very low35.7Very low250 Ų250140.6 Ų140.694%0.94377%0.769SS**SBendtrans-81.361156.3-165.3176.6-173.91750.7107.8
506Y30.5Very low34.4Very low194 Ų194147.4 Ų147.476%0.76178%0.779SS**SBendtrans-165.8130.7-171.2-140-82.8000104.4Y504Y504-Y506 HydrophobicContact CD1-CD2 4.24Å; Y504-Y506 HydrophobicContact CD1-CG 4.36Å; Y504-Y506 HydrophobicContact CE1-CD2 4.5Å; Y504-Y506 PolarHBondContact O-N 3.27Å; Y504-Y506 VanDerWaalsContact O-N 3.09Å
507T35.6Very low33.1Very low125 Ų125151.8 Ų151.877%0.76778%0.782SS**  trans-131.7116.5-177.651.20000113
508S27.9Very low32.2Very low104 Ų104152 Ų15273%0.72778%0.779SS**  trans73.8131.2158.978.40000119.1
509K28.5Very low31.7Very low179 Ų179150.4 Ų150.478%0.77877%0.771SS**  trans88134.6145.8-76.8-179.6176.7-173.70120.5
510D31.3Very low31.2Very low147 Ų147147.1 Ų147.179%0.78676%0.763SS**  trans65.5135.4150.8-51.5-17.6000118.7
511A28Very low30.8Very low77 Ų77150.6 Ų150.664%0.63677%0.766SS**  cis-164.3141.3-16.600000112.2
512I30.9Very low30.3Very low154 Ų154147.7 Ų147.779%0.7975%0.75SS**  trans68.8146.3138.9-69169.2000119
513L31.5Very low30.1Very low153 Ų153152 Ų15280%0.80175%0.751SS**  trans63.4119.2-179.7-64.5155.5000114.7
514K26.8Very low30Very low173 Ų173154.7 Ų154.775%0.75275%0.751SS**  cis60.871.24.6-160.7-156.1174.4-178.10116.6
515H29.5Very low30.2Very low137 Ų137152 Ų15263%0.63475%0.748SS**  -176147.6115-113.8-75.7000113.4
516R28Very low29.5Very low219 Ų219143.2 Ų143.283%0.82673%0.729SS**  trans66.3133.5166.7-63.3174.3-169.71643.9113.6
517M26.9Very low29.3Very low162 Ų162141 Ų14180%0.79873%0.731SS**  cis63.577.930.4-163.9171.717900113.2
518D26.8Very low29Very low133 Ų133141.1 Ų141.171%0.71173%0.731SS**  trans-134.9140134.9-96.6-52.6000110.8
519H30.1Very low28.9Very low152 Ų152147 Ų14770%0.70474%0.738SS**  trans-7.4137.4143.4-47.988.4000116
520S26.7Very low28.8Very low102 Ų102149.4 Ų149.471%0.71374%0.742SS**  cis-153.2-156.61.155.60000108.8
521D29.5Very low28.6Very low136 Ų136147.6 Ų147.673%0.72774%0.741SS**  cis-155.6-147.916.3-149-86.8000112.8
522S28.1Very low28.5Very low85 Ų85150.3 Ų150.359%0.59475%0.75SS**  trans-100.6174.6-175.265.40000111.5
523Q29.7Very low28.3Very low158 Ų158148.9 Ų148.974%0.73875%0.754SS**  cis-161.3145.210.6-151.7165.525.900110.8
524W33.8Very low28.1Very low218 Ų218145.1 Ų145.183%0.82675%0.751SS**  trans62.5149.6155-87.425.4000117.8
525L32.7Very low28.1Very low133 Ų133141.4 Ų141.470%0.69675%0.747SS**  cis-144138.75.8-101.5151.9000104.9
526A26.8Very low28.2Very low66 Ų66145 Ų14555%0.54576%0.755SS.*  cis56.8127.836.100000113
527D27.5Very low28.3Very low148 Ų148140.2 Ų140.279%0.79175%0.746SS**  cis-159.4155.3-11.2-107-49.5000106.3
528T28.4Very low28.3Very low127 Ų127139.7 Ų139.778%0.77975%0.746SS**  trans168.1141.4149.831.40000111.4
529W26.3Very low28.3Very low229 Ų229138.3 Ų138.387%0.86775%0.746SS**  cis-149.9148.7-18.8-130.142.6000106.7
530R26.1Very low28.2Very low228 Ų228135.5 Ų135.586%0.8674%0.744SS**  trans-98.7136.5174.2-82.4-166.9-179.3-147.83.4111.5
531S26.6Very low28.3Very low109 Ų109135.4 Ų135.476%0.76274%0.743SS**  trans49.2114.3139.1-540000119.2
532T27Very low28.3Very low134 Ų134133.9 Ų133.982%0.82274%0.743SS**  trans-131.990.8156.639.50000112.7
533S24.9Very low28.3Very low125 Ų125134.3 Ų134.387%0.87475%0.747SS**  trans-152.6110.1154.663.10000108.1
534G27.8Very low28.2Very low73 Ų73134.2 Ų134.275%0.75375%0.75SS**  cis-172.8-128.8-2.600000108.5
535S27.8Very low27.9Very low96 Ų96128 Ų12867%0.67174%0.74SS**  trans84.6105.7170.7-170.10000117.8
536R30.6Very low27.6Very low211 Ų211125.9 Ų125.980%0.79674%0.736SS**  91.4133.6129.8-83.6-175.3169.290.1-0.2122.5
537D29.8Very low27.7Very low119 Ų119133 Ų13364%0.63675%0.749SS**  trans80.8104.8134.2-58.2-10000121.9
538L27.4Very low27.8Very low151 Ų151133.8 Ų133.879%0.79175%0.752SS**  74.2111.4125.5-62.8173.2000120.6
539S26.9Very low27.8Very low104 Ų104131.4 Ų131.473%0.72775%0.753SS**  89.2160.2121.676.90000121.1
540S27.7Very low28.1Very low94 Ų94125 Ų12566%0.65775%0.749SS**  trans59.292.2163.746.40000119.3
541S29Very low28.2Very low99 Ų99121.7 Ų121.769%0.69275%0.749SS**  43.9137.3111.565.20000121.3
542S29.1Very low29.4Very low104 Ų104121.1 Ų121.173%0.72774%0.742SS**  trans56135.1139.363.30000119.3
543S29.3Very low29.6Very low95 Ų95126.1 Ų126.166%0.66475%0.746SS**  cis-178-162.5450.40000108.3
544L27.6Very low29.8Very low156 Ų156127.2 Ų127.282%0.81774%0.742SS**  trans14.5139.4141.2-61.4165.9000119.2
545S26.5Very low30.7Very low88 Ų88128.7 Ų128.762%0.61574%0.738SS**  cis176.1160.3-5.951.90000110.9
546S26.7Very low30.9Very low88 Ų88130.8 Ų130.862%0.61574%0.741SS**  trans71.8166.9141.679.50000120.5
547R29.7Very low30.7Very low215 Ų215127.2 Ų127.281%0.81174%0.738SS**  trans77.896.9166.6-61167-159.8-95.4-3.5114.2
548L29.5Very low30.7Very low164 Ų164126.5 Ų126.586%0.85974%0.741SS**  82.2102.275.8-82.6167.6000111.4
549G27.7Very low30.7Very low78 Ų78130 Ų13080%0.80474%0.744SS**  trans-93136.1156.400000110.1
550A31.8Very low30.8Very low93 Ų93136.4 Ų136.477%0.76975%0.752SS**  trans-163.2121.3161.900000107.8
551D28.5Very low30.9Very low160 Ų160136.2 Ų136.286%0.85675%0.75SS**  -171.8174.3101.6-122.516.4000109.1
552P51.6Low31Very low96 Ų96138.7 Ų138.762%0.62376%0.755SS**  trans-129.5-177.2-137.339.9-21.5000114.5
553R32.1Very low31Very low240 Ų240140.7 Ų140.791%0.90676%0.757SS**  174.2135.4121.6-95.2166.5-173-157.71.7113.6
554D29.6Very low31Very low148 Ų148140.9 Ų140.979%0.79176%0.758SS**  trans-57.2164.3153.5-95.3-54.7000112
555P46.3Very low31Very low103 Ų103145.7 Ų145.767%0.66977%0.766SS**  cis-153172.139.843.9-23.6000120.8
556L31.7Very low31.1Very low141 Ų141149 Ų14974%0.73878%0.776SS**  trans77.7117.5140.3-108.7139.7000120.9
557D27.3Very low31.3Very low136 Ų136149.9 Ų149.973%0.72778%0.783SS**  trans33.7133.1133.7-77.7-45.7000120.2
558C28.1Very low31.5Very low103 Ų103151 Ų15170%0.69679%0.787SS**  -165.2143.855.1-145.30000114.8
559R27.5Very low31.7Very low225 Ų225148 Ų14885%0.84978%0.78SS**  trans19.9118.5149.5-62.6175.1172.5-164.3-3.1119.7
560R30Very low32.6Very low239 Ų239150.3 Ų150.390%0.90278%0.781SS**  -167.199.4115.2-107.9175.6174.9165.2-0.6115
561S29.1Very low32.6Very low89 Ų89149.1 Ų149.162%0.62278%0.777SS**  35.4121.1125.562.90000122
562L31.7Very low32.8Very low152 Ų152148.1 Ų148.180%0.79678%0.776SS**  75.4121.2127.1-63.8171.3000121.1
563L29.2Very low32.5Very low145 Ų145148.7 Ų148.776%0.75978%0.78SS**  trans75.8117.9131.3-70.9170.6000120.8
564S29.3Very low32.5Very low100 Ų100144.3 Ų144.370%0.69977%0.774SS**  trans44.3121.713661.30000120
565W26.8Very low32.5Very low257 Ų257144.4 Ų144.497%0.97377%0.774SS**  trans-52.2139.6141.9-75.5-5.5000110.8
566D28.6Very low32.6Very low156 Ų156144.1 Ų144.183%0.83477%0.772SS**  trans-143.9172.1137.5-144.7-30.1000109.5
567S31.7Very low32.4Very low107 Ų107143.9 Ų143.975%0.74877%0.772SS**  trans-92.8154.1-154.854.30000116.7
568R32.5Very low32.5Very low238 Ų238142.9 Ų142.990%0.89877%0.77SS**  trans-68.8153.4171.9-68.7-177.7-168-160.14.5111.2
569S33.7Very low32.6Very low103 Ų103142.7 Ų142.772%0.7277%0.77SS**  cis-155.7-128.3-8.9-84.90000111.4
570P47.6Very low32.9Very low126 Ų126138.2 Ų138.282%0.81877%0.768SS**  -130.6165.9-110.341-24.3000118.9
571G31.9Very low33Very low67 Ų67135.1 Ų135.169%0.69176%0.762SS**  trans95.811715800000115.8
572V32.3Very low33Very low139 Ų139141.4 Ų141.484%0.84277%0.773SS**  cis76.211731-171.70000111.7
573P45.4Very low32.9Very low109 Ų109137 Ų13771%0.70877%0.765SS**  -148.6151.668.137-16000121
574L31.3Very low32.9Very low148 Ų148135.4 Ų135.478%0.77577%0.766SS**  trans53.6128.8142.9-53.6169.6000120.6
575L30.7Very low32.9Very low150 Ų150138.7 Ų138.779%0.78578%0.775SS**  70.8146.952.6-76166.2000115.1
576P48Very low33Very low97 Ų97133.6 Ų133.663%0.6377%0.765SS**  cis-138.2177.73.343.6-26.1000117.4
577D28Very low33.1Very low136 Ų136130.4 Ų130.473%0.72776%0.76SS**  trans46.2151.1135.8-62.4-8.2000123.6
578T29.5Very low33Very low114 Ų114134.6 Ų134.670%0.69977%0.768SS**  cis-165.9150-5.423.40000113.3
579S29.8Very low32.9Very low99 Ų99130.5 Ų130.569%0.69276%0.763SS**  trans73163.5140.978.50000124.1
580T33.8Very low33.5Very low132 Ų132131.1 Ų131.181%0.8177%0.765SS**  trans75.9167.2170.573.70000118.7
581F31.5Very low32.5Very low174 Ų174129.9 Ų129.976%0.76376%0.759SS**  -168.3144-72.3-132.9-66.8000108
582Y30.8Very low32.5Very low220 Ų220131.4 Ų131.486%0.86376%0.759SS**  trans62.7142166.1-93.4-70.7000121
583G28Very low33.1Very low61 Ų61130.4 Ų130.463%0.62976%0.755SS**  108.873.6119.100000119.9
584S29.8Very low33.8Very low111 Ų111130.9 Ų130.978%0.77676%0.758SS**  trans6.4130141.956.90000120.5
585L28.5Very low33.7Very low169 Ų169128.9 Ų128.989%0.88576%0.763SS**  -171-176.1120.3-103.3166.8000113.9
586I30.6Very low33.8Very low149 Ų149132 Ų13276%0.76477%0.765SS**  trans-105143.2-157.7-68.6160.8000113.4
587A30.2Very low33.9Very low89 Ų89133.5 Ų133.574%0.73677%0.774SS**  trans65.8156.116500000116.9
588E28.3Very low34.2Very low196 Ų196131 Ų13192%0.91677%0.768SS**  cis-131.7-166.424.1-63.2-151.6112.600115.4
589L30.7Very low35.6Very low152 Ų152131 Ų13180%0.79677%0.769SS**  trans-100.3161-176.8-14083.5000113.2
590P46.1Very low35.8Very low116 Ų116134 Ų13475%0.75377%0.772SS**  -141.9-172.898.544.5-31.5000111.9
591S28.2Very low35.7Very low100 Ų100133.1 Ų133.170%0.69977%0.767SS**  cis-146-93.413.553.90000114.9
592S32.1Very low36.5Very low99 Ų99130.9 Ų130.969%0.69277%0.769SS**  trans-175.6168.6-156.558.50000109.6
593P43.8Very low36.7Very low118 Ų118124.7 Ų124.777%0.76676%0.764SS**  cis-132.1-159.124.449.1-30.2000113.1
594P59.8Low36.8Very low118 Ų118127.2 Ų127.277%0.76677%0.767SS**  -134.1175-105.136-13.8000118.3
595A29.6Very low36.9Very low106 Ų106132 Ų13288%0.87677%0.768SS**  trans87.5138.1156.100000120.6
596R33.3Very low36.8Very low217 Ų217135.1 Ų135.182%0.81977%0.768SS**  trans-155.2168177.7-155.7-169.1-168.4-178.97.6107.6
597P49.9Very low37.1Very low127 Ų127135.6 Ų135.683%0.82577%0.771SS**  -144179.9111.731.4-13000115.5
598S35Very low38.7Very low85 Ų85136.3 Ų136.359%0.59477%0.768SS**  trans-133.4-148.5-177.263.50000109.5
599P58.6Low39.6Very low112 Ų112133.1 Ų133.173%0.72776%0.764SS**  cis-110.3-155.51630.4-6.9000111.6
600Q32.3Very low39.6Very low163 Ų163134.3 Ų134.376%0.76277%0.766SS**  cis-135.9169.214-81.2-15689.900110.4
601V32Very low38.8Very low114 Ų114137 Ų13769%0.69177%0.773SS**  cis77.8139.831.5178.20000111.7
602P50Low38.8Very low126 Ų126136.1 Ų136.182%0.81877%0.772SS**  cis-112.3-141.114.344.5-33.7000115.9
603A33.3Very low38.6Very low91 Ų91142.2 Ų142.275%0.75278%0.78SS**  trans-155.1-159.1-170.600000110.4
604V30.9Very low37.7Very low113 Ų113144.3 Ų144.369%0.68578%0.784SS**  cis-170.2151.525.278.70000114.9
605R31.4Very low36.1Very low212 Ų212144.5 Ų144.580%0.879%0.788SS**  trans20143.5155.1-60.4162.6177156.7-9.5122.8
606R27.9Very low36.1Very low234 Ų234145 Ų14588%0.88379%0.785SS**  175.2173.3100.1-94.8-170.4179.21662.2114.6
607L35Very low37.1Very low159 Ų159140.1 Ų140.183%0.83278%0.781SS**  trans-143.2176.2-175.3-119.6175.2000110.2
608P63.7Low35.8Very low105 Ų105140.1 Ų140.168%0.68278%0.783SS**  -94.6-169.4-112.843.6-32000115.9
609P47.6Very low35.5Very low128 Ų128140.5 Ų140.583%0.83179%0.785SS**  -142.2-177.2118.839.8-26.6000115.5
610Q30.8Very low34.1Very low178 Ų178140.5 Ų140.583%0.83279%0.788SS**  trans-102.3-176.6179.6-74.9-167.6-12.900114.2
611L30.3Very low34Very low171 Ų171136.9 Ų136.990%0.89578%0.781SS**  trans82.6144.8169.7-62.7157.4000115.1
612A28.5Very low33.9Very low83 Ų83138.3 Ų138.369%0.68679%0.785SS**  cis-145-166.3-6.900000108.6
613R26.9Very low33.1Very low227 Ų227136.9 Ų136.986%0.85778%0.778SS**  cis-157.8135.67-140.1163.9-164.3166.34.9105.9
614L25.5Very low32.8Very low162 Ų162140.7 Ų140.785%0.84878%0.784SS**  53.7101.173.2-88.5171.9000116.3
615S24.7Very low32.6Very low122 Ų122140.8 Ų140.885%0.85379%0.789SS**  -172.4160.8129.849.70000111.6
616S30.2Very low32.5Very low116 Ų116135.7 Ų135.781%0.81179%0.786SS**  trans-134.8-142.5-17446.60000112.3
617P54.6Low32.5Very low115 Ų115133.9 Ų133.975%0.74778%0.779SS**  -115.6162.5-114.339-24.2000115.9
618C22.9Very low32.1Very low126 Ų126137 Ų13785%0.85178%0.78SS**  trans-171.6165.1160.6-104.20000109.2
619S27.7Very low30.4Very low93 Ų93135.8 Ų135.865%0.6579%0.786SS**  cis-179.1172.4-34.855.70000109.1
620S29.1Very low29.4Very low112 Ų112138.4 Ų138.478%0.78379%0.792SS**  trans70.6174.9166.377.70000118.5
621S32.1Very low29.2Very low88 Ų88135.2 Ų135.262%0.61579%0.79SS**  -165.5179.5-105.649.70000113.1
622D28.9Very low29.2Very low144 Ų144132.1 Ų132.177%0.7778%0.782SS**  trans68.2163159.9-53.4-55.3000117.6
623S32.8Very low30.2Very low96 Ų96132.7 Ų132.767%0.67178%0.779SS**  cis-166.2163.7-41.964.60000107.9
624L28.3Very low30.4Very low170 Ų170132.4 Ų132.489%0.8978%0.778SS**  trans168.8169.3137.4-94.2167.4000112.7
625C26.3Very low30.4Very low116 Ų116131.8 Ų131.878%0.78478%0.775SS**  trans-126.2154.2-166.9-66.20000115.2
626S29.2Very low30.5Very low104 Ų104130.4 Ų130.473%0.72777%0.765SS**  trans106.6147.6130.385.30000122.1
627R27.9Very low30.4Very low197 Ų197133.2 Ų133.274%0.74377%0.77SS**  trans86113.2152.9-69-175175.7-148.1-1.3122.1
628R26.3Very low29.1Very low225 Ų225131.9 Ų131.985%0.84977%0.769SS**  60.5122.8128.4-61.4179.7177-172.2-2.7119.8
629G27.1Very low30.1Very low79 Ų79131.3 Ų131.381%0.81476%0.763SS**  trans-170.4124.9158.500000113.3
630L27.8Very low29.9Very low182 Ų182132.4 Ų132.495%0.95377%0.766SS**  trans-77.4164.5169.1-64143.1000108.9
631S26.5Very low29.9Very low112 Ų112134.7 Ų134.778%0.78376%0.764SS**  cis-154176.419.357.80000113.1
632S30Very low29.6Very low105 Ų105134.5 Ų134.573%0.73477%0.769SS**  trans-79.7-176.217464.20000110.8
633P49.5Very low29.5Very low95 Ų95140 Ų14062%0.61778%0.778SS**  cis-150.3158.427.343.3-21.8000121.5
634R30.4Very low29.4Very low221 Ų221144.4 Ų144.483%0.83479%0.786SS**  trans69.6148150.3-65.5154.5-174.3-1170.9117.8
635L27.3Very low29.5Very low150 Ų150141.1 Ų141.179%0.78578%0.783SS**  cis-163.6154.9-17.2-92.4161.1000104.6
636S26.1Very low29.7Very low92 Ų92145.4 Ų145.464%0.64379%0.788SS**  cis-164.9132.2-12420000110.9
637L27.3Very low29.7Very low175 Ų175149.4 Ų149.492%0.91679%0.793SS**  trans36.2119.4143.4-73.8148.1000120.7
638A28.8Very low29.7Very low88 Ų88147.9 Ų147.973%0.72779%0.791SS**  trans-80.2-172.7151.700000110.2
639P42.7Very low29.6Very low114 Ų114144.8 Ų144.874%0.7479%0.786SS**  cis-125.8-169.144.941.5-23.8000112.3
640T24.9Very low29.6Very low115 Ų115148.5 Ų148.571%0.70678%0.783SS**  cis-151.5162.517.6-15.90000111.4
641E27.1Very low29.6Very low160 Ų160147.1 Ų147.175%0.74878%0.775SS**  trans44.683.4158.8-56.6-37.6103.900120.6
642A26.5Very low29.7Very low85 Ų85149.9 Ų149.970%0.70278%0.776SS**  trans-152.894.6150.500000111K644A642-K644 PolarHBondContact O-N 2.98Å
643W26.1Very low29.6Very low258 Ų258152 Ų15298%0.97777%0.774SS**  trans-69.5104.5-177.9-135.4-34.7000111.2
644K31.6Very low28.4Very low190 Ų190153 Ų15383%0.82678%0.778SS**  trans-101.1137.2171-70.5176.9-179.4170.40110.4A642A642-K644 PolarHBondContact O-N 2.98Å
645A29.8Very low28.1Very low101 Ų101148.8 Ų148.884%0.83577%0.772SS**  trans-143.1122.3156.700000109.4
646K32Very low27.9Very low206 Ų206146.6 Ų146.690%0.89677%0.769SS**  trans-155.1126.8179.7-162.9172.6-173.3172.80110.2
647K28.3Very low27.9Very low187 Ų187147.6 Ų147.681%0.81378%0.776SS**  trans78.4122.9157.3-163.5178.6-174179.90118.9
648K27.7Very low28.6Very low166 Ų166144.7 Ų144.772%0.72277%0.768SS**  trans67.8162.5160.9-78.3-167.7170.2-157.90116.6
649Q24.6Very low28.4Very low159 Ų159147.1 Ų147.174%0.74377%0.768SS**  cis-142.4-173.113.5-151.6145.4-51.100114
650E27.6Very low27.5Very low157 Ų157148.2 Ų148.273%0.73477%0.767SS**  trans-92.1-176-169.7-53.7168.7103.600115.6
651L27.2Very low27.4Very low153 Ų153153.5 Ų153.580%0.80177%0.774SS**  trans81.9152.1165.5-59.3149.9000114.5
652Q28.5Very low27.2Very low170 Ų170149.1 Ų149.179%0.79477%0.772SS**  cis-140.2-179.125.2-47.1173.9-2200110.5
653H27.1Very low27.2Very low149 Ų149150.6 Ų150.669%0.6978%0.777SS**  cis-153.5-179.5-6.7-137.235.3000107.4
654V24.6Very low27.2Very low116 Ų116146.7 Ų146.770%0.70377%0.769SS**  -176.314574.6161.10000109.9
655N24.1Very low27.3Very low134 Ų134143.3 Ų143.372%0.71777%0.767SS**  trans68.6100.8160-73-0.5000123.2
656S23.5Very low27Very low103 Ų103145 Ų14572%0.7276%0.761SS**  67.3106.7116.771.40000122.1
657S25.6Very low26.7Very low113 Ų113142.4 Ų142.479%0.7975%0.752SS**  -68.5164.8126.1-27.90000109.4
658P41.6Very low26.6Very low114 Ų114139.3 Ų139.374%0.7474%0.744SS**  cis-131.5-164.437.338.5-16.6000112.5
659L24.5Very low26.4Very low140 Ų140141.6 Ų141.673%0.73375%0.748SS**  cis-168.3160.234-125.3178.1000109.9
660L24.6Very low26.4Very low136 Ų136138.5 Ų138.571%0.71275%0.75SS**  trans65.5164.1162.1-58.1168.6000118
661R22.1Very low26.2Very low227 Ų227136.9 Ų136.986%0.85775%0.754SS**  cis-167.3125.9-37168.3178.7-93.9-177.2-6.8109.7
662G24.6Very low26.2Very low68 Ų68138 Ų13870%0.70176%0.755SS**  trans82166.7166.100000116.3
663S26.3Very low25.9Very low115 Ų115138.2 Ų138.280%0.80476%0.761SS**  cis-178.3101.5-20.442.20000111.3
664Q25.8Very low25.8Very low177 Ų177135 Ų13583%0.82777%0.768SS**  trans58.6175170.1-82.8-179.8-28.400116.5
665P33.7Very low25.9Very low119 Ų119136.5 Ų136.577%0.77377%0.772SS**  cis-96.5179.8-1342.2-34.1000110.9
666L23.8Very low26Very low137 Ų137141.3 Ų141.372%0.71778%0.78SS**  cis87.8121.516.7-142.885.3000117.8
667E26Very low26.1Very low150 Ų150139.8 Ų139.870%0.70178%0.781SS**  trans87.1149.3146.2-123-167.8176.500123.3
668L24.7Very low26.4Very low123 Ų123140 Ų14064%0.64478%0.782SS**  trans71.4155.1158.4-58.5169.8000120.2
669R24.6Very low25.8Very low214 Ų214143.1 Ų143.181%0.80878%0.784SS**  cis-173.6154.1-45.1-129.1-169.2-165.7158.73.7110.8
670A23.8Very low26Very low94 Ų94143 Ų14378%0.77778%0.784SS**  trans56.3-160.9144.600000118.7
671C24.4Very low26.2Very low122 Ų122143.4 Ų143.482%0.82479%0.786SS**  trans-123.1174.9-161.1-57.80000113.5
672E25.3Very low26.2Very low178 Ų178136.5 Ų136.583%0.83277%0.773SS**  trans83.2145.8159.6-60.2-163.6154.900121.4
673L24Very low26.4Very low173 Ų173142.2 Ų142.291%0.90678%0.781SS**  trans50115155.1-108.664000120.3
674G24.7Very low26.5Very low82 Ų82141.7 Ų141.785%0.84578%0.778SS**  trans-17475.9172.300000115.4
675N25.2Very low27.4Very low147 Ų147139 Ų13979%0.78678%0.776SS**  trans-81.5126.9-179.6-167.30.3000112.1
676R26.1Very low27.1Very low235 Ų235136.8 Ų136.889%0.88778%0.775SS**  trans65.6152177.4-50.2177.4178.4-173.2-2.8116.1
677G26Very low27.2Very low71 Ų71135.4 Ų135.473%0.73278%0.783SS**  cis143.3133.2-12.900000115.7
678S31.5Very low27.7Very low118 Ų118134.8 Ų134.883%0.82579%0.789SS**  trans77167.6161.5-1590000118.9
679K30.9Very low28.9Very low180 Ų180133.8 Ų133.878%0.78379%0.79SS**  trans74.6128.2178.8-59.5178.4-175.8178.60113.4
680N27.8Very low29.3Very low137 Ų137132 Ų13273%0.73379%0.791SS**  cis-154.4164.614-98.4-17000108.2
681L28.3Very low29.6Very low144 Ų144131.4 Ų131.475%0.75479%0.786SS**  cis-142.8128.36.9-95125.9000106.3
682S23.1Very low29.8Very low83 Ų83132.9 Ų132.958%0.5879%0.785SS**  80.7122.985.887.50000117.2
683Q28Very low30Very low187 Ų187130.4 Ų130.487%0.87478%0.781SS**  trans77.7128.1147.6-65.2173.3-5.500121.1
684S28.8Very low30.3Very low105 Ų105126 Ų12673%0.73477%0.77SS**  trans-56.3177.1155.857.40000113.4
685P45.6Very low30.4Very low121 Ų121131.1 Ų131.179%0.78676%0.764SS**  cis-148172.219.842.8-23.2000119.1
686G25.9Very low30.6Very low72 Ų72134 Ų13474%0.74276%0.764SS**  99153.1125.600000120.9
687A27.4Very low30.8Very low108 Ų108126.6 Ų126.689%0.89375%0.753SS**  trans75.3153.4161.800000120.5
688V34.7Very low31Very low137 Ų137131.5 Ų131.583%0.8376%0.761SS**  trans-149.4138.7-168.2163.90000105.2
689P50.3Low30.8Very low102 Ų102129 Ų12966%0.66275%0.754SS**  -160.1149.4105.639.2-18.4000120
690Q34.5Very low31.4Very low177 Ų177126.4 Ų126.483%0.82776%0.756SS**  trans66.7159.2138.5-67.8164.9-5.600119.2
691A29.2Very low31.4Very low81 Ų81128.8 Ų128.867%0.66976%0.759SS**  cis-137150.213.900000111.7
692L28.4Very low31.4Very low153 Ų153128.6 Ų128.680%0.80176%0.759SS**  54.7140.694.6-57.4165.4000114.5
693V29.8Very low31.5Very low125 Ų125131.9 Ų131.976%0.75877%0.769SS**  cis-142.7161.438.6173.90000112.8
694A29.7Very low31.4Very low82 Ų82127.6 Ų127.668%0.67876%0.76SS**  trans-74.4-173.6178.700000114.6
695W27.3Very low31.2Very low189 Ų189128.3 Ų128.372%0.71677%0.765SS**  -164.515368.3-9471.7000114
696R28.9Very low30.4Very low208 Ų208127.6 Ų127.679%0.78576%0.763SS**  trans14157151.1-53.2-170.2-174.7172.83.1120.9
697A31.1Very low30.6Very low78 Ų78131.6 Ų131.665%0.64577%0.767SS**  cis-161.4156.528.800000115.8
698L29.4Very low30.7Very low174 Ų174133.9 Ų133.991%0.91176%0.759SS**  trans51.3132.8140.9-65.1165.5000121.8
699G27.3Very low30.5Very low65 Ų65134.1 Ų134.167%0.6776%0.755SS**  trans-132.5-173.5149.700000110.2
700P44.3Very low29.5Very low127 Ų127135.1 Ų135.183%0.82576%0.759SS**  trans-119145.4146.831-19.6000110.3
701K27Very low29.2Very low186 Ų186132.8 Ų132.881%0.80976%0.757SS**  cis59.3108.618.8-102.8-166.5178-173.10112.8
702L27.8Very low29.5Very low141 Ų141140.4 Ų140.474%0.73877%0.768SS**  cis-165.6-17745.7-79.8140.3000108.1
703L26.4Very low30.4Very low152 Ų152138.6 Ų138.680%0.79677%0.765SS**  cis-128.4159.64-79.387.2000107.9
704S25.4Very low30.4Very low97 Ų97140.6 Ų140.668%0.67877%0.771SS**  cis8193.432.1-176.60000116.2
705S24.5Very low31.8Very low120 Ų120142.4 Ų142.484%0.83978%0.776SS**  trans-137.1162.8141.573.40000109.5
706S29.3Very low32.9Very low106 Ų106139.6 Ų139.674%0.74178%0.782SS**  trans-158155.9-173.4-59.40000110
707N29.6Very low32.9Very low155 Ų155133.9 Ų133.983%0.82978%0.78SS**  trans-150.2110.5155-95.5-14.7000109.8
708E29.9Very low33.8Very low156 Ų156135.5 Ų135.573%0.72978%0.783SS**  60110.5121.5-55.2-136.211900122.3
709L29.9Very low33.7Very low142 Ų142134.5 Ų134.574%0.74378%0.778SS**  56.7136.1114.9-74.5128.9000119.3
710V29.3Very low34Very low123 Ų123140.6 Ų140.675%0.74579%0.787SS**  -158.7133.971.3149.70000113.7
711T28.9Very low34.1Very low128 Ų128140 Ų14079%0.78578%0.783SS**  trans45.7141.2158.860.30000125.1
712R35.4Very low34.1Very low242 Ų242139.6 Ų139.691%0.91378%0.783SS**  trans-136.1154.7155.5-97.6-176.5170.7-177.6-1.6107.6
713P47.5Very low33.9Very low114 Ų114140.2 Ų140.274%0.7478%0.782SS**  -155.3141.798.436.4-16.2000119
714L29.6Very low33.9Very low167 Ų167138.5 Ų138.587%0.87478%0.779SS**  trans64.9128143.2-60.9169.1000122.1
715P59.8Low35.6Very low120 Ų120139.4 Ų139.478%0.77978%0.782SS**  trans-119.9161178.541.9-32.2000116.7
716P50.6Low37Very low130 Ų130138.6 Ų138.684%0.84477%0.774SS**  trans-118.4-167164.740.1-27.9000114.1
717A27.4Very low36.9Very low89 Ų89139.1 Ų139.174%0.73677%0.773SS**  trans-142-169172.700000108.6
718P50.3Low36.9Very low111 Ų111140 Ų14072%0.72177%0.772SS**  cis-144.5-161.7-2.143-21.4000116.2
719L27.4Very low36.8Very low153 Ų153136.9 Ų136.980%0.80177%0.767SS**  trans85.8159.6147.1-76.6174.6000125.1
720F32.9Very low37Very low194 Ų194137.9 Ų137.985%0.85177%0.768SS**  trans-74.6177.4180-60.5-101.3000114.9
721P47.3Very low37.1Very low115 Ų115139.1 Ų139.175%0.74777%0.766SS**  -141.6-167.487.944.8-30.3000112.4
722H26.5Very low37Very low176 Ų176138.5 Ų138.582%0.81576%0.762SS**  cis-150.3-152-0.6-145.5-35.2000111.8
723E24.8Very low36.6Very low154 Ų154135.3 Ų135.372%0.7276%0.757SS**  trans-153.7148.6-162.2-108.4-170.4126.700117.2
724T26.2Very low37.1Very low117 Ų117135.2 Ų135.272%0.71876%0.757SS**  trans65.2167.5148.165.50000121.3
725P61Low38.4Very low116 Ų116132.8 Ų132.875%0.75375%0.751SS**  cis-119.6-127-13.435.4-14000110.2
726P54.6Low37Very low103 Ų103133.9 Ų133.967%0.66976%0.755SS**  cis-134.4171.7-37.336.5-17.7000117.6
727T27.1Very low35.8Very low117 Ų117131.8 Ų131.872%0.71875%0.749SS**  trans80.9125.1149.39.40000125
728Q28.3Very low36.7Very low174 Ų174133.6 Ų133.681%0.81375%0.753SS**  trans61.6111.4149.2-84173.3-4.700120
729S28.2Very low35.6Very low90 Ų90137 Ų13763%0.62976%0.759SS**  88.2140.869.975.30000112.9
730Q33.4Very low35.6Very low163 Ų163134.1 Ų134.176%0.76276%0.758SS**  cis-161.4-178.42.3-133.3156.1-97.200106.7
731Q31.8Very low36.3Very low149 Ų149130.4 Ų130.470%0.69675%0.753SS**  cis-164.4-172.710.3-150.6171.7-100.800106
732T26.9Very low35.5Very low114 Ų114130 Ų13070%0.69975%0.752SS**  cis-150.8-156.16.5-35.40000109.8
733Q26.4Very low35.7Very low176 Ų176126.5 Ų126.582%0.82275%0.748SS**  trans-171.1-153.5-170.2-123.8-177.53.200107.6
734P58.8Low35.8Very low111 Ų111126.1 Ų126.172%0.72175%0.749SS**  cis-111.2-135.6-31.438.5-19.6000108.5
735P56.9Low35.8Very low117 Ų117127.5 Ų127.576%0.7675%0.752SS**  cis-123.1-164-18.342.3-23.6000114.5
736V29.3Very low34.1Very low142 Ų142129.2 Ų129.286%0.86175%0.754SS**  trans-152.9149.4-160.3161.30000114.5
737A27Very low32.7Very low86 Ų86128.3 Ų128.371%0.71176%0.755SS**  trans76.9178.315600000119.4
738P46.2Very low32.5Very low127 Ų127129.6 Ų129.683%0.82576%0.762SS**  cis-139.8-151.79.545.2-23.5000119.2
739Q27.1Very low32.4Very low184 Ų184125.4 Ų125.486%0.8676%0.758SS**  trans-110.7159.3-144.9-50.3165.2-39.600118.3
740A27.9Very low33.2Very low92 Ų92126.8 Ų126.876%0.7676%0.764SS**  trans59.7-178.1140.800000119.5
741P47.5Very low33.1Very low115 Ų115126.4 Ų126.475%0.74777%0.766SS**  cis-139.7172.7-5.144.4-26.4000118.6
742S29.2Very low33.9Very low106 Ų106124.3 Ų124.374%0.74177%0.766SS**  trans42.6119.2139.2-57.50000127
743S30.3Very low33.9Very low103 Ų103126 Ų12672%0.7277%0.769SS**  90.1148.811477.30000126.1
744I28.3Very low33.9Very low147 Ų147125 Ų12575%0.75477%0.768SS**  trans97.2109.4140-81.7161.7000123.8
745L25.1Very low32.4Very low146 Ų146124.5 Ų124.576%0.76477%0.767SS**  trans60136.3134.9-55.2178.6000127.6
746L25.6Very low32Very low152 Ų152124.3 Ų124.380%0.79677%0.766SS**  trans75.6105.4137.3-98.278.6000124.9
747A25.6Very low31.7Very low83 Ų83123.4 Ų123.469%0.68677%0.765SS**  79.3157.3108.300000125.3
748T22.9Very low31.9Very low144 Ų144124.7 Ų124.788%0.88377%0.768SS**  trans104.1142.9155.3-21.60000118.4
749A26.7Very low32.4Very low87 Ų87124.3 Ų124.372%0.71977%0.766SS**  trans-100.2-170.8-178.100000110.6
750P44.2Very low33.6Very low118 Ų118121.4 Ų121.477%0.76676%0.763SS**  cis-144.6-174.715.142.6-20.2000118.9
751I31.1Very low33.9Very low156 Ų156121.5 Ų121.580%0.876%0.758SS**  trans-46.6170161.129.6168.4000115.1
752P48.4Very low34Very low105 Ų105121.7 Ų121.768%0.68276%0.76SS**  cis-159.8-171.240.941.5-15.5000121.4
753I28.3Very low34Very low149 Ų149125.1 Ų125.176%0.76476%0.764SS**  trans54.9129.9156.720.2163.5000124.2
754L26.2Very low34Very low155 Ų155123.9 Ų123.981%0.81276%0.76SS**  177.9169.889.5-114.6166.5000114.4
755S26.6Very low34Very low101 Ų101122.5 Ų122.571%0.70676%0.763SS**  trans-128.7-161.3176.3-450000108.6
756P48Very low34.1Very low112 Ų112120.6 Ų120.673%0.72776%0.762SS**  cis-150.2-169.212.946.1-24.3000119
757C22.8Very low34.2Very low124 Ų124120.9 Ų120.984%0.83876%0.764SS**  trans98.2145.4142.4-81.60000124.3
758S31.1Very low34.2Very low112 Ų112122.2 Ų122.278%0.78377%0.768SS**  trans-115-158.9177.1-38.90000109.6
759P58.4Low34.5Very low120 Ų120118.8 Ų118.878%0.77976%0.761SS**  cis-128.9-144.632.239.7-16.5000110.7
760P52.3Low35.4Very low122 Ų122120.9 Ų120.979%0.79277%0.768SS**  cis-133.2-158.7-10.643.3-23.5000114.9
761S33.3Very low34.7Very low94 Ų94120.6 Ų120.666%0.65777%0.768SS**  trans-157177.3170.863.40000111.7
762P50.4Low35.8Very low120 Ų120119.1 Ų119.178%0.77977%0.769SS**  -137.9148.4116.734.8-21.7000112.8
763Q29.4Very low34.8Very low177 Ų177117.8 Ų117.883%0.82777%0.767SS**  cis82.4142.644.1-71.8-162.17.200115.3
764A29.3Very low34.9Very low77 Ų77116.1 Ų116.164%0.63677%0.768SS**  cis-173.7-175.4-1500000111.7
765S28.5Very low35Very low119 Ų119113 Ų11383%0.83276%0.76SS**  trans79.8144.416784.20000116.7
766S27.1Very low35.2Very low105 Ų105116.8 Ų116.873%0.73477%0.766SS**  cis-158.3-177-10.158.60000108.7
767L28.2Very low34.2Very low159 Ų159119.2 Ų119.283%0.83277%0.772SS**  cis-152.6-170.44.5-139.7177.7000108
768S25.7Very low34.4Very low110 Ų110119 Ų11977%0.76977%0.771SS**  trans-160.5151.5-175.160.40000115.7
769G28.8Very low34.3Very low73 Ų73118.4 Ų118.475%0.75377%0.767SS**  trans98.1170.3161.800000116.2
770P45.2Very low32.8Very low131 Ų131117.5 Ų117.585%0.85176%0.764SS**  cis-117.4171.517.441.2-31.7000116.7
771S29.9Very low31.8Very low112 Ų112116.5 Ų116.578%0.78376%0.76SS**  trans-103.3-161.6168.2-38.30000109.7
772P54Low31.5Very low124 Ų124119.3 Ų119.381%0.80577%0.767SS**  cis-133.6-165.131.642.6-20.3000112.7
773A27.9Very low30.4Very low78 Ų78119.3 Ų119.365%0.64577%0.77SS**  cis-156157.613.100000114.3
774S29.4Very low30.4Very low113 Ų113115.3 Ų115.379%0.7976%0.761SS**  trans53147.7148.256.10000121.3
775S29.5Very low30.4Very low91 Ų91118 Ų11864%0.63676%0.764SS**  cis-173.7160.9-20.952.80000105.8
776H29.1Very low30.3Very low179 Ų179116.1 Ų116.183%0.82976%0.764SS**  cis-142.5165.422.8-89-90.9000112.4
777L27.4Very low30.8Very low163 Ų163118.9 Ų118.985%0.85377%0.765SS**  trans-75.1168.6162.2-66.7157.6000109.8
778S27Very low31.2Very low119 Ų119117.5 Ų117.583%0.83276%0.759SS**  cis-159.1165.539.9-58.20000114.1
779S29Very low31.6Very low100 Ų100119.3 Ų119.370%0.69976%0.755SS**  trans-103.6-179.6173.259.50000112.9
780S28.4Very low31.7Very low102 Ų102122.4 Ų122.471%0.71376%0.755SS**  trans69.1150.1156.627.30000117.3
781S30.1Very low31.2Very low101 Ų101120.6 Ų120.671%0.70675%0.745SS**  cis-165.3164.6-1.9-114.10000114.1
782L28.3Very low31.3Very low153 Ų153121 Ų12180%0.80174%0.743SS**  trans58.6119.7144.8-69165.9000123
783S25.6Very low30.2Very low119 Ų119123 Ų12383%0.83275%0.746SS**  -168.3114.3120.5580000108.4
784S29.5Very low30.5Very low93 Ų93124.8 Ų124.865%0.6575%0.749SS**  cis94.4102.833-169.10000114.2
785L29.5Very low31.2Very low133 Ų133124.4 Ų124.470%0.69674%0.743SS**  trans52.6140.9148.3-86.264.1000122.4E787L785-E787 HydrophobicContact CD2-CG 4.06Å; L785-E787 WeakPolarHBondContact CD2-OE2 3.38Å; L785-E787 HydrophobicContact CG-CG 4.34Å
786G27.3Very low31.4Very low81 Ų81128.5 Ų128.584%0.83575%0.752SS**  trans-141.3115.313900000108.7
787E37.3Very low31.8Very low162 Ų162129.2 Ų129.276%0.75776%0.756SS**  trans-107166.4171.1-62.7169.6133.800108L785L785-E787 HydrophobicContact CD2-CG 4.06Å; L785-E787 WeakPolarHBondContact CD2-OE2 3.38Å; L785-E787 HydrophobicContact CG-CG 4.34Å
788D36.2Very low32Very low130 Ų130128.2 Ų128.270%0.69576%0.756SS**  cis-131-129.54.4-165.118.2000109
789Q34.6Very low32.3Very low149 Ų149126.6 Ų126.670%0.69675%0.75SS**  cis-159.6165.41.1-159.4126.983.900111.2
790D31.3Very low32.4Very low138 Ų138130.1 Ų130.174%0.73876%0.76SS**  trans72.2134.9163.4-78.8-37.3000119.9
791S33.8Very low32.3Very low93 Ų93131.1 Ų131.165%0.6577%0.766SS**  cis-164.6147.6-15.3-1290000112.6
792V33Very low32.4Very low121 Ų121134.4 Ų134.473%0.73378%0.775SS**  trans46.8118.9155.6-176.50000120.1
793L30Very low32.5Very low166 Ų166135.6 Ų135.687%0.86978%0.776SS**  -162.7163.8126.6-107.6172000112.1
794T35.3Very low32.7Very low115 Ų115136.9 Ų136.971%0.70677%0.773SS**  trans-148.4170.1-169.255.90000110.2
795P43.9Very low32.6Very low104 Ų104137.6 Ų137.668%0.67578%0.778SS**  cis-129.8-161.2-14.3250.4000112.4
796E32.8Very low32.6Very low177 Ų177140.5 Ų140.583%0.82779%0.788SS**  trans83.2163.4161.2-53.2-169.5173.300118.8
797E37.4Very low32.6Very low194 Ų194140.3 Ų140.391%0.90779%0.786SS**  trans65.937.3175.8-54.7-157.2147.700120.5
798V32.3Very low32.3Very low142 Ų142141.8 Ų141.886%0.86179%0.793SS**  trans-131125.1159.6-1770000113.7
799A32.6Very low31.9Very low86 Ų86144.4 Ų144.471%0.71180%0.801SS**  trans79123.116500000119.7
800L30.3Very low31.7Very low173 Ų173143.4 Ų143.491%0.90681%0.805SS**  -165.9164.392.4-104.7163000113.2
801C28.1Very low32.3Very low123 Ų123141.7 Ų141.783%0.83180%0.802SS**  trans-107.5169.5175.3-74.50000111.8
802L31.1Very low32.1Very low170 Ų170148 Ų14889%0.8981%0.811SS**  trans-48.4146.5179.6-64.2153.8000116
803E31.6Very low31.7Very low178 Ų178149.6 Ų149.683%0.83282%0.815SS**  -163.5128.6129-110.2179.1-169.900115.1
804L28.2Very low31.6Very low146 Ų146147 Ų14776%0.76481%0.811SS**  trans51131.6143-63.2168.1000127.3
805S27.1Very low31.3Very low108 Ų108146.4 Ų146.476%0.75582%0.818SS**  trans63.1135.7140.5600000121.4
806E29.5Very low30.6Very low195 Ų195146.8 Ų146.891%0.91182%0.823SS**  cis-161.3175.449.9-75.7-170.7134.900114.1
807G28.6Very low31Very low77 Ų77144.4 Ų144.479%0.79482%0.823SS**  trans80.8109.7165.100000116.2
808E30.1Very low30.5Very low193 Ų193143.6 Ų143.690%0.90282%0.821SS**  cis89.19541-167.9167.2-159.700115.8
809E28.7Very low31.3Very low185 Ų185142 Ų14286%0.86481%0.814SS**  -168.6167.1120.4-107.7-165.6153.500111
810T30.8Very low31Very low128 Ų128149.4 Ų149.479%0.78582%0.824SS**  trans-136.1158179.678.90000110.2
811P43.9Very low31.1Very low102 Ų102145.4 Ų145.466%0.66282%0.815SS**  -156.2154.982.939.5-20.1000118
812R27.9Very low31.8Very low225 Ų225144.7 Ų144.785%0.84981%0.809SS**  trans52.1134.5137.6-63.4175-173.5167.53.1119.4
813N26.5Very low31.7Very low154 Ų154142 Ų14282%0.82481%0.805SS**  cis-150.7162.843.4-94.1-54000113.9
814S27.9Very low32.8Very low112 Ų112138.9 Ų138.978%0.78380%0.8SS**  trans-87.5142.717754.60000114.2
815A28.6Very low33.8Very low102 Ų102137 Ų13784%0.84380%0.797SS**  trans-172.2130.5132.700000112.4
816S28.9Very low33.9Very low113 Ų113137.3 Ų137.379%0.7979%0.794SS**  trans-107.8150.7147.159.50000107.4
817P41.5Very low33.8Very low127 Ų127133.3 Ų133.383%0.82578%0.783SS**  -148.5167.690.739.2-21.9000116.3
818M26.8Very low33.8Very low176 Ų176140.7 Ų140.787%0.86779%0.788SS**  trans-86173.9170-176.3173-172.300110.3
819P47.9Very low33.7Very low109 Ų109135.4 Ų135.471%0.70879%0.786SS**  cis-118.2-179.4-3633.3-17.9000112.5
820R27.3Very low33.7Very low242 Ų242137.4 Ų137.491%0.91379%0.787SS**  trans-156.9133.2153.1-150.8165.7-71.9151.5-2.6115.4
821A33.1Very low33.5Very low88 Ų88138 Ų13873%0.72778%0.784SS**  trans-131.1157.4153.800000106.2
822P40.9Very low32.6Very low109 Ų109138.3 Ų138.371%0.70879%0.789SS**  -156151.975.140.1-19.4000118.9
823S29.4Very low32.6Very low113 Ų113133.3 Ų133.379%0.7978%0.783SS**  trans67.9172.2134.184.90000120.9
824P55.5Low32.9Very low113 Ų113132.2 Ų132.273%0.73479%0.785SS**  trans-113.4-154.6-15148.9-42.9000113.2
825P49.2Very low32.8Very low107 Ų107133 Ų13370%0.69579%0.785SS**  cis-144.9-168.32.334.2-8.2000118.7
826T27.9Very low32.9Very low113 Ų113132.7 Ų132.769%0.69378%0.783SS**  trans92.1116.3142.121.30000124.3
827T28.1Very low32.9Very low112 Ų112131.2 Ų131.269%0.68777%0.772SS**  trans75.6135136.238.60000125.7
828Y29.1Very low32.2Very low231 Ų231132.9 Ų132.991%0.90677%0.769SS**  trans50.7130.7148.8-69.4-66.3000121.9
829G27.6Very low32.3Very low83 Ų83133.4 Ų133.486%0.85677%0.767SS**  trans179.7112.2164.900000114.6
830Y28.6Very low31.4Very low226 Ų226134.1 Ų134.189%0.88677%0.769SS**  trans-77.8157.3-178.4-96.5-63.1000114.8
831I26.6Very low31.5Very low140 Ų140125.5 Ų125.572%0.71876%0.756SS**  trans33122148-42.1162.2000118.6
832S25.6Very low31.2Very low109 Ų109129.3 Ų129.376%0.76276%0.761SS**  170.1150114.9-72.60000113
833T27.9Very low30.5Very low120 Ų120130.3 Ų130.374%0.73676%0.76SS**  trans-74.9167.4158.848.60000110.5
834P32.3Very low30.6Very low132 Ų132135.4 Ų135.486%0.85776%0.762SS**  -131.4161.5112.337.1-30.9000113.5
835T26.4Very low29.4Very low127 Ų127136.9 Ų136.978%0.77977%0.769SS**  trans-115.5141.1-179.1-43.50000109.8
836A29.4Very low28.5Very low97 Ų97135.4 Ų135.480%0.80277%0.773SS**  trans62.9173.8168.700000115
837S29.7Very low28.6Very low81 Ų81134.2 Ų134.257%0.56678%0.784SS**  cis-146.4166.8557.90000111.9
838E27.3Very low28.6Very low162 Ų162132.1 Ų132.176%0.75778%0.784SS**  trans59.9139.5153.1-62.2145.2153.500118.2
839F27.5Very low28.7Very low187 Ų187128.3 Ų128.382%0.8278%0.784SS**  cis-147.2171.248.5-118.5-92.7000114.4
840T30.6Very low28.9Very low124 Ų124127.4 Ų127.476%0.76178%0.775SS**  trans-64.1168.1173.8520000113.6
841G29.5Very low29.3Very low61 Ų61121.6 Ų121.663%0.62977%0.768SS**  cis154.8-1731.500000111.2
842M26.4Very low29.6Very low169 Ų169124 Ų12483%0.83378%0.776SS**  trans62154.1-177.7-79.869.2171.800115.5
843D26.8Very low29.7Very low129 Ų129122.1 Ų122.169%0.6977%0.774SS**  cis-143.2141.8-20-102.1-42.9000105.3
844R30.1Very low29.7Very low220 Ų220120.1 Ų120.183%0.8378%0.776SS**  76.8143.757.1-152.6178.7-169-172.24.2114
845T30.8Very low29.7Very low145 Ų145120 Ų12089%0.8977%0.773SS**  trans84.8139.9-170.772.90000114.6
846G29.8Very low30Very low75 Ų75121.1 Ų121.177%0.77377%0.774SS**  cis-158.4162.3-3.400000112.6
847G29.8Very low30Very low89 Ų89123.2 Ų123.292%0.91877%0.77SS**  trans-77.7-170.4178.100000113.6
848G29.1Very low29.9Very low68 Ų68124.9 Ų124.970%0.70178%0.781SS**  cis130.1172.47.300000111.6
849V31.5Very low31.2Very low150 Ų150122.7 Ų122.791%0.90978%0.781SS**  trans71.2142.4177.3-168.50000114.6
850G30.5Very low32.2Very low64 Ų64119 Ų11966%0.6678%0.775SS**  cis145.6177.5-9.500000114.4
851S36.8Very low32.3Very low105 Ų105124.6 Ų124.673%0.73478%0.783SS**  trans66.3163.7171.1-57.70000116.4
852E33Very low32.7Very low191 Ų191127.4 Ų127.489%0.89379%0.79SS**  cis-155.6159.56.8-144.2151.2-115.700109.1
853G28.6Very low32.6Very low69 Ų69125.2 Ų125.271%0.71179%0.79SS**  cis168.8162.8-900000112.7
854G28.8Very low32.8Very low77 Ų77126.5 Ų126.579%0.79480%0.796SS**  trans71.4164.5160.200000120.6
855V30.5Very low32.4Very low131 Ų131122 Ų12279%0.79479%0.793SS**  cis-165.3153.6-9.3126.40000110.5
856L33.5Very low33.3Very low149 Ų149120.6 Ų120.678%0.7879%0.786SS**  trans79.8134.3162.6-86.1163.1000124
857L30Very low33.4Very low141 Ų141123 Ų12374%0.73879%0.786SS**  trans80108149.5-64.2170.8000124.6
858C28Very low33.9Very low117 Ų117124.8 Ų124.879%0.79178%0.782SS**  trans75.9160.1132.4-72.20000121.6
859P53.2Low33.8Very low115 Ų115126.2 Ų126.275%0.74778%0.781SS**  trans-125.3-168.4-14347.1-36.2000115
860P48.7Very low33.7Very low109 Ų109128.6 Ų128.671%0.70878%0.782SS**  cis-130.8155.3-21.723.4-2.5000115.5
861R32.3Very low33.6Very low243 Ų243129.4 Ų129.492%0.91779%0.791SS**  trans163.5117.9134.2-93.7169.6-178.8-173.11113.3
862P37.8Very low33.2Very low120 Ų120129.7 Ų129.778%0.77979%0.792SS**  trans-112.3-173.5167.943.7-33.6000110.8
863C24.5Very low33.1Very low123 Ų123128.1 Ų128.183%0.83179%0.789SS**  cis-141.1-179.819.1-850000112.6
864L30.8Very low33.1Very low155 Ų155128.3 Ų128.381%0.81278%0.784SS**  trans-146.6160.6179.3-126175.5000110.3
865T23.5Very low33.1Very low126 Ų126132.7 Ų132.777%0.77379%0.789SS**  trans75.5-176.3168.274.40000117.4
866P47.9Very low33Very low116 Ų116130.1 Ų130.175%0.75379%0.789SS**  -134.8-143.6-104.842.9-20.2000115.7
867T33.5Very low32.7Very low125 Ų125135.8 Ų135.877%0.76780%0.8SS**  trans-53.4163.6174.643.20000114.6
868P40.2Very low32.6Very low127 Ų127132.1 Ų132.183%0.82580%0.797SS**  cis-147.4-118.939.742.8-18.3000116.9
869S27.2Very low32.6Very low98 Ų98132.8 Ų132.869%0.68580%0.803SS**  trans-135.3167.3-155.155.80000115.7
870E29.7Very low31.5Very low200 Ų200131.7 Ų131.794%0.93580%0.803SS**  trans68.7154170.2-59.4-162.9134.500119.1
871G28.3Very low30.5Very low81 Ų81131.3 Ų131.384%0.83580%0.804SS**  trans138.7100.5164.400000116.8
872S28.4Very low30.4Very low110 Ų110128 Ų12877%0.76980%0.799SS**  trans-80.8144.8175.3-179.30000113.4
873L29.1Very low30Very low159 Ų159128.6 Ų128.683%0.83280%0.795SS**  167140118.8-89.3169.3000116.9
874A28.7Very low30.2Very low72 Ų72128.9 Ų128.960%0.59579%0.788SS**  trans62.7117.5137.600000124.6
875N30Very low30.2Very low170 Ų170126 Ų12691%0.90979%0.786SS**  67.5124.2129.6-56.3-12.1000122.4
876G27.2Very low30.5Very low77 Ų77124.8 Ų124.879%0.79479%0.789SS**  trans173117.215800000114.8
877W27.8Very low29.5Very low267 Ų267125.3 Ų125.3100%1.01180%0.796SS**  trans-77.9159.5168.2-57.76.5000109.9
878G27.5Very low29.3Very low65 Ų65123.8 Ų123.867%0.6780%0.796SS**  cis158.8171.7-1.900000111.5
879S29.4Very low28.8Very low130 Ų130129.9 Ų129.991%0.90980%0.802SS**  trans69.4153.5167.5-54.10000119.2
880A29.9Very low28.8Very low92 Ų92129.6 Ų129.676%0.7681%0.806SS**  cis-174.3144.5-25.700000110.8
881S27.9Very low28.8Very low102 Ų102126.2 Ų126.271%0.71381%0.805SS**  trans174.7122.5142.358.70000112.6
882E30.4Very low28.9Very low174 Ų174130.6 Ų130.681%0.81381%0.808SS**  trans41.9134.2130.9-65.1153.3-17100120.3
883D29Very low29Very low131 Ų131131.8 Ų131.870%0.70181%0.81SS**  cis-162.1154.14.8-129.32000114.7
884N28.9Very low28.9Very low130 Ų130129.7 Ų129.770%0.69581%0.809SS**  trans27.8113.9155.7-58.7-53.2000121
885A29.3Very low29Very low93 Ų93131 Ų13177%0.76981%0.813SS**  78.813970.200000114.9
886A30.6Very low29Very low101 Ų101127.3 Ų127.384%0.83580%0.801SS**  cis-161.9160.3-5.300000112.4
887S26.1Very low29.2Very low127 Ų127131.6 Ų131.689%0.88881%0.806SS**  trans-158.6155.7142.6-166.60000110.2
888A28.8Very low29.3Very low93 Ų93122.4 Ų122.477%0.76979%0.794SS**  trans-105.7140.4-167.800000113.8
889R30.3Very low29.5Very low255 Ų255125 Ų12596%0.96280%0.802SS**  trans-152.2135.3142.6-114.1169.1-170.9-1792.7110.7
890A27.9Very low29.5Very low92 Ų92129 Ų12976%0.7680%0.804SS**  trans-101.7151.7-17700000111.5
891S29.1Very low29.6Very low130 Ų130132.9 Ų132.991%0.90981%0.811SS**  trans-157.193.7158.9-71.40000107.1
892L31.2Very low29.7Very low172 Ų172132.4 Ų132.490%0.90181%0.813SS**PPolyproline II helixtrans-85.7161.3179.6-109172000111.7
893V29.1Very low29.8Very low136 Ų136131 Ų13182%0.82481%0.811SS**PPolyproline II helixtrans-64.6144.9-175.5170.70000112.3
894S27.1Very low30.1Very low114 Ų114129.1 Ų129.180%0.79781%0.814SS**PPolyproline II helixtrans-75.2137.4174.8176.60000113.3
895S31.3Very low30.4Very low99 Ų99131 Ų13169%0.69282%0.818SS**  trans-171.7147.4136.7-179.90000110.4
896S30.3Very low30.6Very low93 Ų93134 Ų13465%0.6581%0.814SS**  trans47.3115.4156.746.70000117.7
897D31.8Very low30.7Very low168 Ų168133.7 Ų133.790%0.89881%0.812SS**  cis-139.416629.8-73.2-44.8000113.5
898G30.4Very low31.1Very low74 Ų74137.9 Ų137.976%0.76381%0.808SS**  trans-120.9133.7-169.300000116
899S31.4Very low31.4Very low120 Ų120136.9 Ų136.984%0.83980%0.799SS**  trans-158.467.8153.466.20000112.3L901S899-L901 PolarHBondContact O-N 2.84Å
900F28Very low31.6Very low214 Ų214131.1 Ų131.194%0.93979%0.787SS**  trans-7499.5171-90.2-91.9000110.9
901L33.2Very low32Very low173 Ų173131.1 Ų131.191%0.90679%0.787SS**  trans-164.636.2157.6-118.2170.2000116.1S899S899-L901 PolarHBondContact O-N 2.84Å
902A29.2Very low32.4Very low92 Ų92131.1 Ų131.176%0.7678%0.781SS**  trans-157.783.5169.600000113
903D32.6Very low32.5Very low144 Ų144126.9 Ų126.977%0.7777%0.771SS**  trans-162.870.3155.3-116-27.6000114.1
904A35.8Very low32.8Very low92 Ų92127 Ų12776%0.7677%0.771SS**SBendtrans-112.7-0171.800000113.4
905H34.2Very low32.9Very low168 Ų168128.8 Ų128.878%0.77877%0.772SS**SBendtrans-115.4-18.1-172.7-78.1-74.2000114.9A907H905-A907 PolarHBondContact O-N 2.74Å
906F34.7Very low32.8Very low156 Ų156129.3 Ų129.368%0.68478%0.776SS**G310 helixtrans-68.8-34.9-178.6-143.6-94000113.1R908 A909F906-R908 PolarHBondContact O-N 2.78Å; F906-R908 VanDerWaalsContact O-N 3.13Å; F906-A909 PolarHBondContact O-N 3.05Å
907A33Very low32.8Very low96 Ų96135.4 Ų135.479%0.79379%0.791SS**G310 helixtrans-65.3-15.5-178.300000115H905H905-A907 PolarHBondContact O-N 2.74Å
908R34.3Very low32.6Very low215 Ų215131 Ų13181%0.81179%0.785SS**G310 helixtrans-98.8-8.8-177.9-146.5171.7-169.61633.3114.1F906F906-R908 PolarHBondContact O-N 2.78Å; F906-R908 VanDerWaalsContact O-N 3.13Å
909A34.6Very low32.7Very low71 Ų71137.8 Ų137.859%0.58779%0.794SS**THydrogen-bonded Turntrans-85-27.2179.600000113.3F906 A911F906-A909 PolarHBondContact O-N 3.05Å; A909-A911 VanDerWaalsContact C-N 3.34Å; A909-A911 PolarHBondContact O-N 3.28Å
910L34.3Very low32.5Very low135 Ų135135.5 Ų135.571%0.70779%0.79SS**THydrogen-bonded Turntrans-83-8.8-172-140.7121.1000114.3
911A35.8Very low32.6Very low92 Ų92133.9 Ų133.976%0.7679%0.79SS**THydrogen-bonded Turntrans-92.64.1-179.900000114.3A909A909-A911 VanDerWaalsContact C-N 3.34Å; A909-A911 PolarHBondContact O-N 3.28Å
912V37.5Very low32.4Very low130 Ų130133.2 Ų133.279%0.78878%0.782SS**SBendtrans-125.921.7-176.5-160.80000111.3
913A33.3Very low32.9Very low82 Ų82134.3 Ų134.368%0.67878%0.781SS**SBendtrans-123.217.4-175.400000113.8
914V36Very low32.7Very low138 Ų138136.4 Ų136.484%0.83678%0.779SS**SBendtrans-131.753.9177.5-165.10000110.7
915D30Very low32.4Very low152 Ų152139.2 Ų139.281%0.81378%0.776SS**SBendtrans-16081.8157-154.21.8000112.3
916S28.8Very low32.2Very low111 Ų111135 Ų13578%0.77677%0.77SS**SBendtrans174.557.9161.2-82.90000113.8
917F30.5Very low31.9Very low220 Ų220135 Ų13597%0.96578%0.777SS**  trans-153.390.2154.2-96.4-64.5000109.6
918G28.1Very low31.7Very low75 Ų75136.8 Ų136.877%0.77378%0.782SS**  trans-80.8140.7179.200000113
919F31.1Very low31.3Very low217 Ų217132.1 Ų132.195%0.95278%0.778SS**  trans-123.4113.9151.5-98.6-86.2000107.3
920G27.5Very low30.9Very low73 Ų73138.1 Ų138.175%0.75379%0.791SS**  trans-91144.2179.900000112.2
921L30Very low30.6Very low179 Ų179136.5 Ų136.594%0.93779%0.787SS**  trans-127.8127.3154-72.4175.3000107.7
922E29.9Very low30.2Very low160 Ų160139.5 Ų139.575%0.74879%0.79SS**  trans-70.8161.4174.2-114.6-168.5104.900110.8
923P38.3Very low29.7Very low114 Ų114138 Ų13874%0.7479%0.791SS**  -140.3164.350.538.4-19.3000118.4
924R28.7Very low29.4Very low189 Ų189140 Ų14071%0.71380%0.8SS**  trans8.1150.5140.4-71.9171.6165.1-115.8-2.7119.6
925E29.8Very low28.9Very low150 Ų150139 Ų13970%0.70180%0.799SS**  cis-161.7167.330.9-145.4145.8-130.100114.7
926A30.1Very low30Very low80 Ų80137.2 Ų137.266%0.66180%0.796SS**  trans69.497.8154.700000122.4
927D28.1Very low30.3Very low156 Ų156138.2 Ų138.283%0.83480%0.8SS**  73.8144.8115.4-66-5.8000126.2
928C28.5Very low30.2Very low133 Ų133133.1 Ų133.190%0.89979%0.792SS**  trans88.3128.2155.3-75.40000121.1
929V26.1Very low31.4Very low118 Ų118134.1 Ų134.172%0.71578%0.784SS**  trans-121.7144.7-177.5163.60000107.7
930F27.2Very low31.3Very low197 Ų197134.2 Ų134.286%0.86478%0.779SS**  -169.1166.4125.3-109.3-73.5000112.4
931T28.3Very low31.5Very low100 Ų100136.3 Ų136.361%0.61377%0.773SS**  trans-102.7170.1-164.949.90000112.6
932D25.9Very low31.3Very low155 Ų155135.7 Ų135.783%0.82977%0.77SS**  -172167.9107-942.3000113
933A28.6Very low31.3Very low98 Ų98134.4 Ų134.481%0.8177%0.767SS**  trans-139.4162.8-170.800000111.5
934S26.7Very low30.7Very low125 Ų125138.1 Ų138.187%0.87477%0.772SS**  trans-161155162.149.20000112.9
935S25.9Very low30.7Very low116 Ų116137 Ų13781%0.81178%0.779SS**  trans-162.3-174.2175.261.50000108.9
936P52.6Low30.4Very low116 Ų116136.2 Ų136.275%0.75379%0.785SS**  -112.5-169.7-99.141.8-28000113.7
937P35.5Very low31Very low131 Ų131137.4 Ų137.485%0.85179%0.786SS**  trans-131.3153.9160.436.4-22.1000116.3
938S28.2Very low30.9Very low114 Ų114136.9 Ų136.980%0.79778%0.783SS**  trans-176.9165.9179.5-171.80000110.2
939P53.3Low30.9Very low95 Ų95138.1 Ų138.162%0.61778%0.78SS**  cis-108.7-140.9-5.330.1-7.1000111.4
940R29.3Very low30.9Very low220 Ų220138.1 Ų138.183%0.8379%0.785SS**  cis-148.4-173.145.4-83.7-140.9156.4107.49110.4
941D30.8Very low31Very low117 Ų117136.6 Ų136.663%0.62679%0.785SS**  cis155.7114.9-32.7-75.4-32.3000106.9
942D25.7Very low31.2Very low166 Ų166136.6 Ų136.689%0.88879%0.787SS**  trans-170.4167.3134.4-124.5-30.7000112.4
943I28.9Very low31.1Very low133 Ų133137.5 Ų137.568%0.68279%0.791SS**  trans-129.5144.6-156.8-58167.9000113.2
944F27.1Very low31.2Very low191 Ų191143.9 Ų143.984%0.83879%0.794SS**  164158.3124.8-93.7-67.8000116.4
945L27.6Very low31.1Very low166 Ų166146.9 Ų146.987%0.86979%0.794SS**  trans85.9139.7169.4-57.3-179.8000119.5
946T24.7Very low31.1Very low133 Ų133152.9 Ų152.982%0.81680%0.799SS**  trans-140.9-179.9177.858.60000107.4
947P41.1Very low29.7Very low105 Ų105158.5 Ų158.568%0.68281%0.805SS**  cis-120.8168.9-28.937.5-25.7000111.9
948N26.9Very low29.6Very low145 Ų145157.2 Ų157.278%0.77580%0.797SS**  trans-175.5150.2134.2-105.5-34000115.8
949L27.9Very low29.6Very low159 Ų159158.5 Ų158.583%0.83280%0.795SS**  trans26.8110.9147.6-65.3163.4000119.4
950S26.8Very low28.4Very low118 Ų118165.3 Ų165.383%0.82581%0.809SS**  trans-79127.5166.445.40000113
951L28.8Very low28.4Very low165 Ų165161.7 Ų161.786%0.86481%0.805SS**  trans-129.4161.9158.7-84.1178000108.4
952P32.5Very low28.4Very low101 Ų101164.3 Ų164.366%0.65681%0.813SS**PPolyproline II helixtrans-78.6157.6-141.628.6-36.5000115.6W954P952-W954 PolarHBondContact O-N 2.95Å
953L24.6Very low28.5Very low173 Ų173163.4 Ų163.491%0.90681%0.808SS**PPolyproline II helixtrans-53.6135.6168.8-95.869.8000111
954W29.5Very low28.4Very low232 Ų232166 Ų16688%0.87982%0.82SS**PPolyproline II helixtrans-101.6155159.9-91.551.6000110.2P952P952-W954 PolarHBondContact O-N 2.95Å
955E25.2Very low28.6Very low189 Ų189164.8 Ų164.888%0.88382%0.817SS**PPolyproline II helixtrans-69.1138.1-172.4-59.6171.2107.400112.3
956W25.4Very low28.8Very low241 Ų241161.9 Ų161.991%0.91381%0.806SS**PPolyproline II helixtrans-95.3128.3164.1-88.277.5000110.3
957R24.9Very low28.9Very low235 Ų235162.1 Ų162.189%0.88780%0.802SS**  trans-115.7132.3151.1-73.7-167.4-179.9-149.93.4108.4
958P33.6Very low28.3Very low103 Ų103164.5 Ų164.567%0.66980%0.804SS**  trans-76.8151165.734.6-34000110.2
959D27.6Very low28.4Very low141 Ų141162.8 Ų162.875%0.75480%0.799SS**  175.8143.2114.9-89.8-11.4000111.4
960W28.6Very low28.5Very low239 Ų239163.3 Ų163.391%0.90580%0.797SS**  trans71145.1177.3-64.127.5000114.8
961L27.7Very low28.6Very low143 Ų143166.2 Ų166.275%0.74980%0.802SS**  cis-145.7150.78.7-165.573.4000110.9
962E30.9Very low28.7Very low173 Ų173165.8 Ų165.881%0.80880%0.8SS**  trans-98.2163.7167.3-73.7178.212600112.3
963D28.5Very low28.4Very low147 Ų147164.5 Ų164.579%0.78681%0.805SS**  trans58.7105.7166.8-66.6-6.9000121.1
964M26.7Very low28.7Very low188 Ų188168.6 Ų168.693%0.92681%0.808SS**  -153.7138.3115.4-98.8-138.275.900112.3
965E32.3Very low28.5Very low164 Ų164161.2 Ų161.277%0.76680%0.804SS**  trans-97.4151-176.1-84.1-164.7116.900114.8
966V31Very low28.6Very low105 Ų105160.4 Ų160.464%0.63680%0.803SS**  trans54.1112.9137.2178.40000119.7
967N26.6Very low29.5Very low138 Ų138154.1 Ų154.174%0.73879%0.793SS**  -172132.3110.4-106.8-54.5000118.9
968H28.5Very low30.6Very low155 Ų155147.5 Ų147.572%0.71878%0.781SS**  trans31.4107.6140.2-84.8-62.2000125.5
969T28.3Very low30.3Very low109 Ų109154.9 Ų154.967%0.66980%0.795SS**  51.9120119.255.10000124.3
970Q29.9Very low30.3Very low171 Ų171153.5 Ų153.580%0.79980%0.797SS**  trans55.3128.5131.5-68.4-172.7-11.800122.9
971L30Very low31.1Very low179 Ų179147.9 Ų147.994%0.93779%0.791SS**  trans-145.3149138.4-121.7162.3000110.1
972L29.8Very low31.2Very low156 Ų156148.8 Ų148.882%0.81780%0.797SS**  trans-105.1151.3-163.3-73.2146.4000113.6
973G26.8Very low31.1Very low73 Ų73144.7 Ų144.775%0.75379%0.787SS**  trans-132.9-6.7-167.300000120.8
974R30.4Very low31.1Very low259 Ų259147.8 Ų147.898%0.97779%0.787SS**  trans65.8138.9177.5-62.9-179.8166.3-173.8-4.4119.1
975G26.2Very low31.2Very low78 Ų78145.8 Ų145.880%0.80478%0.779SS**  trans168.585.4167.200000114.1
976M27.1Very low30.9Very low171 Ų171142.7 Ų142.784%0.84278%0.776SS**  trans-164.9164.3-178.8-98.1-99.7-79.400107.5
977P43.7Very low30.9Very low109 Ų109142.6 Ų142.671%0.70878%0.78SS**  cis-137.2-143.924.733.3-6.6000112.7
978P49.3Very low31Very low97 Ų97144.9 Ų144.963%0.6379%0.786SS**  -127.9178.4-77.337.9-22.4000114.1
979W26.7Very low31Very low258 Ų258147.5 Ų147.598%0.97779%0.789SS**  -161.9162.9128.1-105.625000110.5
980S28.2Very low31Very low112 Ų112147.8 Ų147.878%0.78380%0.796SS**  trans-117.5154.2-160.551.60000114.7
981P44.1Very low31.2Very low121 Ų121147.3 Ų147.379%0.78679%0.794SS**  trans-91.7143.6176.736.1-33.7000113.7
982D29.2Very low31.1Very low162 Ų162145 Ų14587%0.86678%0.781SS**  trans-175.2155161.2-112.3-28.7000108.2
983S29.2Very low30.9Very low86 Ų86145.8 Ų145.860%0.60178%0.78SS**  cis-160.9162.6-5.371.60000112.1
984R28.9Very low30.8Very low212 Ų212147.5 Ų147.580%0.878%0.78SS**  trans45.1123.5138.5-67.6173.7-175.7-162.82.2123.7
985I28.6Very low31.5Very low147 Ų147140.5 Ų140.575%0.75477%0.768SS**  80.6152122.3-63172.5000120.4
986S27Very low31.7Very low99 Ų99143 Ų14369%0.69277%0.767SS**  trans77.286.716247.50000121.3
987S29.6Very low32.8Very low103 Ų103140 Ų14072%0.7276%0.76SS**  34.5142.4113.867.50000123.1
988Q30Very low32.1Very low186 Ų186144.6 Ų144.687%0.86977%0.769SS**  trans88.2154.2160.2-57.2-170.82.100118.4
989R28.8Very low31.2Very low210 Ų210145 Ų14579%0.79278%0.781SS**  cis179.793-35.5-178.6-172.1-172-172.64109.8
990S27.8Very low31.3Very low114 Ų114136.5 Ų136.580%0.79777%0.773SS**  trans-161.2139.7159.7-37.80000107.5
991Q33Very low31.3Very low162 Ų162136 Ų13676%0.75778%0.775SS**  cis67.4128.242.5-64.3-164.5-27.200113.1
992L28.3Very low30.7Very low129 Ų129135.3 Ų135.368%0.67577%0.774SS**  cis-158.2156.71.6-106.3160.3000112.2
993H25.3Very low31.7Very low173 Ų173132.8 Ų132.880%0.80177%0.766SS**  trans68.1149.6154.7-88.1-60.1000125.2
994C25.9Very low31.8Very low109 Ų109134.4 Ų134.474%0.73677%0.772SS**  trans-84.6-171.2174.6-31.30000111
995P43.8Very low31.9Very low113 Ų113130.6 Ų130.673%0.73477%0.768SS**  cis-146.6167.623.743.1-21.6000120.3
996V32.4Very low32.2Very low131 Ų131133.7 Ų133.779%0.79477%0.771SS**  7.8150.2127.6-176.40000118.4
997P48.8Very low32.6Very low106 Ų106138.6 Ų138.669%0.68881%0.805SS**  cis-131.5177.2-3.933.5-14.5000116.2
998K28.4Very low32.7Very low206 Ų206140.4 Ų140.490%0.89681%0.81SS**  -178165.8116.5-101.4172.4-178.1178.10114.2
999A30.6Very low32.9Very low107 Ų107137.9 Ų137.988%0.88481%0.807SS**  trans-92.9159-175.900000113.5
1000G28.7Very low33.1Very low78 Ų78133.9 Ų133.980%0.80481%0.807SS**  trans-167.9140.9176.200000111.8
1001A29.8Very low33.4Very low101 Ų101135.1 Ų135.184%0.83581%0.808SS**  trans-63.7161.7-163.100000118.2
1002S31.5Very low33.5Very low107 Ų107133.4 Ų133.475%0.74881%0.811SS**  trans-56.9168.5151.558.60000112.1
1003P48.3Very low33.8Very low109 Ų109133.7 Ų133.771%0.70882%0.82SS**  cis-150.8-170.625.346.2-26.1000117.9
1004V32.7Very low34.4Very low120 Ų120130.9 Ų130.973%0.72782%0.822SS**  trans80.4140.61481600000120.1
1005D31.5Very low35.1Very low132 Ų132132.6 Ų132.671%0.70683%0.828SS**  trans73.9125.2160.2-74.7-12.8000124.1
1006Y34.6Very low34.3Very low213 Ų213134.3 Ų134.384%0.83584%0.836SS**  trans35.2100.1149.1-67.2-87.6000120.5
1007S34.7Very low34.5Very low201 Ų201134.5 Ų134.5100%1.40684%0.84SS**  -163.40101.28.10000112.3

Retrieved 1,007 of 1,007 residues in 342.6 ms (Link to these results)