A0A096N8S2_PAPAN Loading...

Zygote arrest 1 like

mRNA-binding protein required for maternal mRNA storage, translation and degradation during oocyte maturation. Probably promotes formation of some phase-separated membraneless compartment that stores maternal mRNAs in oocytes: acts by undergoing liquid-liquid phase separation upon binding to maternal mRNAs. Binds to the 3'-UTR of maternal mRNAs, inhibiting their translation.

AlphaFold DB , UniProt , Accession A0A096N8S2, Species PAPAN (Papio anubis, Olive baboon), Gene ZAR1L, Length 321 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
1M36.7Very low39.5Very low234 Ų234173.6 Ų173.6100%1.15386%0.859SS**  097.70-141151-163.300107.2
2E41.7Very low38.7Very low166 Ų166175.8 Ų175.878%0.77685%0.853SS**  trans-62.6139.8178.2-63.4160.9148.200109.7F4E2-F4 HydrophobicContact CB-CE2 4.15Å
3R39.1Very low38.5Very low233 Ų233175.6 Ų175.688%0.87985%0.849SS**  trans-132.4108.5164.4-71.9-168.4-178.4-178.22109.9
4F36.5Very low37.8Very low175 Ų175167.3 Ų167.377%0.76883%0.832SS**  trans-64.5138.2171.5-66.7-98.4000110.9E2E2-F4 HydrophobicContact CB-CE2 4.15Å
5V45.7Very low37.6Very low138 Ų138172.5 Ų172.584%0.83684%0.841SS**  trans-105.9111.9163.5178.70000107.6
6R38.8Very low37.3Very low237 Ų237165.8 Ų165.889%0.89483%0.83SS**PPolyproline II helixtrans-76.4134.2169.7-85-179.5171.9-172.5-2.3109.4
7V38.6Very low36.9Very low131 Ų131166.1 Ų166.179%0.79484%0.835SS**PPolyproline II helixtrans-98.5132.6165.2178.10000108
8P48.2Very low36.8Very low119 Ų119164.1 Ų164.177%0.77383%0.833SS**PPolyproline II helixtrans-85.2147-17532.6-31.8000113.2
9Y32.3Very low37Very low237 Ų237162.3 Ų162.393%0.92983%0.831SS**PPolyproline II helixtrans-60139.7167.5-98.2-111.7000112.2
10G39.1Very low37.2Very low77 Ų77160.6 Ų160.679%0.79483%0.831SS**  trans-113.4135.316500000111.2
11L37.7Very low37.1Very low163 Ų163161.3 Ų161.385%0.85384%0.835SS**  trans-101.3146.4-178.9-96.2152.6000111.2
12Y29.6Very low36.7Very low200 Ų200153.7 Ų153.778%0.78482%0.816SS**  trans67.8136.2157.3-112-113.8000117.6
13Q35.8Very low36.5Very low173 Ų173154.7 Ų154.781%0.80882%0.821SS**  -176.113556.5-151.3151.935.200104.9
14G29.2Very low36.6Very low59 Ų59149.5 Ų149.561%0.60882%0.818SS**  98.386.551.200000111.3
15Y35.5Very low36.2Very low246 Ų246144.9 Ų144.997%0.96582%0.819SS**  trans-149.1117.3155.4-94.8-78.3000110.3
16G31.6Very low36Very low65 Ų65147 Ų14767%0.6783%0.825SS**  trans-89.2164175.900000112.9
17N30.2Very low35.8Very low170 Ų170141.6 Ų141.691%0.90982%0.824SS**  trans-143.6134.2150.6-102.1-50.7000109.5
18T35.7Very low35.4Very low130 Ų130138.8 Ų138.880%0.79882%0.821SS**  trans-80146.6-168.742.50000113.1
19V41.1Very low34.9Very low131 Ų131141 Ų14179%0.79482%0.821SS**  trans-63.9161.5165.7-157.40000110.4
20P40.3Very low35Very low127 Ų127139.2 Ų139.283%0.82582%0.818SS**  -127.4146.5125.919.7-1.9000114.8
21L36.1Very low35Very low176 Ų176142.7 Ų142.792%0.92181%0.813SS**  trans-75.8145.3-173-174.372.5000113
22G28.6Very low35.1Very low74 Ų74140.4 Ų140.476%0.76381%0.808SS**  trans173.3100.3163.500000114.9
23Q36.6Very low35.3Very low187 Ų187137.3 Ų137.387%0.87481%0.805SS**  trans-81.8-175165.5-73.5-169.6-39.400111.1
24P40.8Very low35.3Very low125 Ų125139.6 Ų139.681%0.81281%0.806SS**  cis-130.6165.6-18.621.22.4000113.4
25G28Very low35.6Very low78 Ų78145.9 Ų145.980%0.80481%0.812SS**  trans-155.1106.6173.400000114
26L41.3Very low36Very low182 Ų182141.2 Ų141.295%0.95380%0.799SS**  trans-57.2136.9174.1-68.5151.8000112.6
27S34.5Very low36.2Very low124 Ų124146.4 Ų146.487%0.86781%0.811SS**  trans-161.8115.9143.157.80000113.9
28G31Very low36.7Very low71 Ų71147.3 Ų147.373%0.73281%0.812SS**  7774.1127.500000119.6K30G28-K30 PolarHBondContact O-N 2.91Å; G28-K30 VanDerWaalsContact O-N 3.16Å
29H37.5Very low37Very low167 Ų167144.4 Ų144.477%0.77381%0.808SS**  trans-66.4103.1153.7-175.5-91.9000109.5
30K35.1Very low37.1Very low198 Ų198143.8 Ų143.886%0.86181%0.807SS**  trans-102.8104.6169.7-87.6-173178.9-85.60110.3G28G28-K30 PolarHBondContact O-N 2.91Å; G28-K30 VanDerWaalsContact O-N 3.16Å
31Q38.3Very low37.3Very low151 Ų151143.5 Ų143.571%0.70681%0.805SS**  trans-71.6137.1158.4-82.8-92.5-23.400109.4
32P39.7Very low37.8Very low114 Ų114142 Ų14274%0.7480%0.803SS**  trans-86.5115162.614.30.7000110.1
33D34.4Very low38.5Very low135 Ų135147.3 Ų147.372%0.72281%0.806SS**  trans-68.9117.7173.3-153-2.6000109.3R35D33-R35 PolarHBondContact O-N 3.44Å
34W35.9Very low39Very low221 Ų221146.5 Ų146.584%0.83781%0.806SS**  trans-89.294.117459-81.9000108.5
35R34.4Very low38.8Very low191 Ų191145.7 Ų145.772%0.72181%0.81SS**  trans-117.6107.2165.8-70.7-154.3179.3-90.60.3111.3D33D33-R35 PolarHBondContact O-N 3.44Å
36Q45.9Very low39.2Very low149 Ų149153.2 Ų153.270%0.69681%0.814SS**  trans32.3113.6136.3-56.4-179.125.900117.4
37N35.7Very low39.3Very low173 Ų173150 Ų15093%0.92580%0.804SS**  trans-135.9111.1147-115.1-42.6000109.5
38M39Very low39.5Very low190 Ų190147.1 Ų147.194%0.93680%0.795SS**  trans-92.7124.8169.3-79.4-78.3-160.400108
39G43.6Very low40.3Very low68 Ų68152 Ų15270%0.70180%0.803SS**  trans-154.2139.716900000111.1
40P42.8Very low40.5Very low119 Ų119151.8 Ų151.877%0.77381%0.807SS**PPolyproline II helixtrans-79.2151.8-170.932.1-33.6000112.6T42P40-T42 PolarHBondContact O-N 2.89Å
41P44.6Very low40.9Very low121 Ų121147.7 Ų147.779%0.78680%0.798SS**PPolyproline II helixtrans-85.3117.4-177.532.9-29.7000111.1
42T45.7Very low40.9Very low143 Ų143145.8 Ų145.888%0.87780%0.798SS**PPolyproline II helixtrans-74.9123.5169.4-47.50000109.8P40P40-T42 PolarHBondContact O-N 2.89Å
43F43.6Very low41.2Very low187 Ų187144.8 Ų144.882%0.8280%0.8SS**PPolyproline II helixtrans-60.7151.2171.5-100.3-112.4000111.9
44L46.3Very low41.9Very low169 Ų169146 Ų14689%0.88581%0.807SS**  trans98.476.9167.6-49.1-176.5000118
45A36.8Very low41.9Very low109 Ų109139 Ų13990%0.90180%0.796SS**  trans-158.3130.214100000110.6
46R36.3Very low42.2Very low236 Ų236136.1 Ų136.189%0.89180%0.802SS**  trans-110.1168.4174.3-149.8-157171.9167.2-2.6108.5
47P43.9Very low42.2Very low113 Ų113136.1 Ų136.173%0.73481%0.807SS**  -110.3106.6-86.934.9-18.7000111.4
48G38.2Very low42.8Very low65 Ų65137.4 Ų137.467%0.6780%0.8SS**  trans-97.3138162.200000109.4L50G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 2.87Å
49L48.5Very low43.5Very low173 Ų173133.4 Ų133.491%0.90679%0.789SS**  trans-57.783.1177.9-112.2150.2000111.5V51L49-V51 HydrophobicContact CD2-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.37Å
50L42.4Very low44.1Very low163 Ų163135.6 Ų135.685%0.85378%0.783SS**  trans-91.294.5165.6-80.1164.4000107.8G48 P52G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 2.87Å; L50-P52 WeakPolarHBondContact O-CD 3.43Å
51V43.9Very low45.6Very low111 Ų111133.2 Ų133.267%0.67376%0.763SS**  trans-60.9123.8162.4175.40000107.2L49 A53L49-V51 HydrophobicContact CD2-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.37Å; V51-A53 PolarHBondContact O-N 3.02Å
52P37.4Very low47.2Very low111 Ų111132 Ų13272%0.72176%0.756SS**  trans-63.8112.2170-18.331.3000108.7L50 N54L50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-N54 PolarHBondContact O-N 2.91Å
53A46.5Very low48.6Very low94 Ų94132.8 Ų132.878%0.77774%0.744SS**SBendtrans-74.951.1176.600000112V51V51-A53 PolarHBondContact O-N 3.02Å
54N48Very low50.1Low160 Ų160129.9 Ų129.986%0.85673%0.731SS**  trans-137.764.5175.1-74.5-59000109.8P52P52-N54 PolarHBondContact O-N 2.91Å
55A35.6Very low51.9Low74 Ų74129.4 Ų129.461%0.61272%0.717SS**  trans-113.1129.215400000106.3D57A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 PolarHBondContact O-N 2.93Å
56P41.7Very low53.9Low130 Ų130126.9 Ų126.984%0.84470%0.696SS**  trans-70.398.6169.228.9-28.6000106.4Y58P56-Y58 PolarHBondContact O-N 3.42Å
57D45.1Very low56.1Low150 Ų150120.5 Ų120.580%0.80268%0.676SS**  trans-56.898159.3-78-42.9000106.2A55 C59A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 PolarHBondContact O-N 2.93Å; D57-C59 PolarHBondContact O-N 3.37Å
58Y48.3Very low57.9Low200 Ų200120.4 Ų120.478%0.78467%0.669SS**  trans-58.299.9162-163.5-86.6000104.8P56 M60P56-Y58 PolarHBondContact O-N 3.42Å; Y58-M60 VanDerWaalsContact C-N 3.26Å; Y58-M60 HydrophobicContact CD1-CE 3.59Å; Y58-M60 HydrophobicContact CE1-CE 3.73Å; Y58-M60 PolarHBondContact O-N 3.27Å
59C53.6Low59.8Low105 Ų105123.6 Ų123.671%0.70967%0.665SS**  trans-56.591.7-172.8-179.30000108.7D57 D61D57-C59 PolarHBondContact O-N 3.37Å; C59-D61 PolarHBondContact O-N 3.38Å
60M56.8Low61.3Low115 Ų115117.3 Ų117.357%0.56764%0.638SS**  trans-68.1105.6163.8-81.1-69.9109.400105.1Y58Y58-M60 VanDerWaalsContact C-N 3.26Å; Y58-M60 HydrophobicContact CD1-CE 3.59Å; Y58-M60 HydrophobicContact CE1-CE 3.73Å; Y58-M60 PolarHBondContact O-N 3.27Å
61D75.1Confident63.2Low68 Ų68113.5 Ų113.536%0.36462%0.618SS.*  trans-36.3120.3173.2173.816.9000109.8C59 Y63 K64 R65C59-D61 PolarHBondContact O-N 3.38Å; D61-Y63 PolarHBondContact O-N 3.48Å; D61-Y63 PolarHBondContact OD1-N 2.85Å; D61-K64 HydrophobicContact CB-CB 4.32Å; D61-K64 HydrophobicContact CB-CD 4.14Å; D61-K64 HydrophobicContact CB-CG 4.08Å; D61-K64 PolarHBondContact O-N 3.42Å; D61-R65 PolarHBondContact O-N 2.94Å; D61-R65 VanDerWaalsContact O-N 3.08Å
62P77.5Confident64.7Low97 Ų97112.7 Ų112.763%0.6361%0.609SS**Hα-helixtrans-48.7-31.9-177.4-29.534.6000113.2A66P62-A66 PolarHBondContact O-N 2.87Å
63Y74.4Confident66.4Low159 Ų159110.1 Ų110.162%0.62459%0.594SS**Hα-helixtrans-66.6-47.6175.9-176.8-100.3000112.7D61 R65 A66 Q67D61-Y63 PolarHBondContact O-N 3.48Å; D61-Y63 PolarHBondContact OD1-N 2.85Å; Y63-R65 VanDerWaalsContact C-N 3.29Å; Y63-R65 PolarHBondContact O-N 2.92Å; Y63-A66 PolarHBondContact O-N 3.32Å; Y63-A66 VanDerWaalsContact O-N 3.15Å; Y63-Q67 PolarHBondContact O-N 2.92Å
64K76.9Confident67.4Low125 Ų125113.2 Ų113.254%0.54359%0.592SS.*Hα-helixtrans-63.6-35.8176.5-66.1-177.1-175.6176.70111.9D61 Q67 L68D61-K64 HydrophobicContact CB-CB 4.32Å; D61-K64 HydrophobicContact CB-CD 4.14Å; D61-K64 HydrophobicContact CB-CG 4.08Å; D61-K64 PolarHBondContact O-N 3.42Å; K64-Q67 PolarHBondContact O-N 2.83Å; K64-L68 WeakPolarHBondContact O-CB 3.38Å; K64-L68 PolarHBondContact O-N 2.78Å
65R82.8Confident68.4Low160 Ų160112.3 Ų112.360%0.60458%0.584SS**Hα-helixtrans-64.7-40.9174.4-170.4178.4-169.4174.73.4111.7D61 Y63 K69D61-R65 PolarHBondContact O-N 2.94Å; D61-R65 VanDerWaalsContact O-N 3.08Å; Y63-R65 VanDerWaalsContact C-N 3.29Å; Y63-R65 PolarHBondContact O-N 2.92Å; R65-K69 WeakPolarHBondContact O-CB 3.38Å; R65-K69 VanDerWaalsContact O-CG 3.29Å; R65-K69 WeakPolarHBondContact O-CG 3.16Å; R65-K69 PolarHBondContact O-N 3.27Å; R65-K69 VanDerWaalsContact O-N 3.15Å
66A79.3Confident69.5Low56 Ų56112.3 Ų112.346%0.46357%0.574SS.*Hα-helixtrans-67.4-42.5176.600000111.6P62 Y63 K69 A70P62-A66 PolarHBondContact O-N 2.87Å; Y63-A66 PolarHBondContact O-N 3.32Å; Y63-A66 VanDerWaalsContact O-N 3.15Å; A66-K69 WeakPolarHBondContact O-CB 3.05Å; A66-K69 PolarHBondContact O-N 2.79Å; A66-A70 PolarHBondContact O-N 3.29Å
67Q81.4Confident70.4Confident101 Ų101110.6 Ų110.647%0.47256%0.563SS.*Hα-helixtrans-63.9-43.6178.8-163.9176.514.500112Y63 K64 K69 A70 I71Y63-Q67 PolarHBondContact O-N 2.92Å; K64-Q67 PolarHBondContact O-N 2.83Å; Q67-K69 VanDerWaalsContact C-N 3.34Å; Q67-K69 PolarHBondContact O-N 3.09Å; Q67-A70 PolarHBondContact O-N 2.92Å; Q67-I71 HydrophobicContact CG-CD1 4.28Å; Q67-I71 WeakPolarHBondContact O-CG1 3.44Å; Q67-I71 PolarHBondContact O-N 3.2Å
68L82.3Confident71Confident111 Ų111107.9 Ų107.958%0.58156%0.556SS**Hα-helixtrans-63.7-39.9176.1-158.392.5000111.8K64 A70 I71 L72K64-L68 WeakPolarHBondContact O-CB 3.38Å; K64-L68 PolarHBondContact O-N 2.78Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.83Å; L68-I71 PolarHBondContact O-N 3.22Å; L68-L72 HydrophobicContact CD2-CD1 4.12Å; L68-L72 HydrophobicContact CG-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 VanDerWaalsContact O-CG 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.76Å
69K77.5Confident71.2Confident132 Ų132104 Ų10457%0.57455%0.548SS*.Hα-helixtrans-61.7-40.5174.6-78.3176.2177.6-176.60112R65 A66 Q67 S73R65-K69 WeakPolarHBondContact O-CB 3.38Å; R65-K69 VanDerWaalsContact O-CG 3.29Å; R65-K69 WeakPolarHBondContact O-CG 3.16Å; R65-K69 PolarHBondContact O-N 3.27Å; R65-K69 VanDerWaalsContact O-N 3.15Å; A66-K69 WeakPolarHBondContact O-CB 3.05Å; A66-K69 PolarHBondContact O-N 2.79Å; Q67-K69 VanDerWaalsContact C-N 3.34Å; Q67-K69 PolarHBondContact O-N 3.09Å; K69-S73 PolarHBondContact O-N 2.88Å; K69-S73 VanDerWaalsContact O-N 3.08Å; K69-S73 PolarHBondContact O-OG 2.8Å
70A80.4Confident71.1Confident42 Ų42101.2 Ų101.235%0.34753%0.53SS..Hα-helixtrans-68.2-37.1178.100000112.6A66 Q67 L68 S73 Q74A66-A70 PolarHBondContact O-N 3.29Å; Q67-A70 PolarHBondContact O-N 2.92Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.83Å; A70-S73 PolarHBondContact O-OG 2.9Å; A70-Q74 WeakPolarHBondContact O-CG 3.42Å; A70-Q74 PolarHBondContact O-N 3.18Å
71I82.4Confident70.6Confident83 Ų83101.9 Ų101.943%0.42654%0.542SS..Hα-helixtrans-69-44.6176.7-66.2164.5000110.5Q67 L68 S73 Q74 M75Q67-I71 HydrophobicContact CG-CD1 4.28Å; Q67-I71 WeakPolarHBondContact O-CG1 3.44Å; Q67-I71 PolarHBondContact O-N 3.2Å; L68-I71 PolarHBondContact O-N 3.22Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.78Å; I71-Q74 PolarHBondContact O-N 3Å; I71-M75 HydrophobicContact CG2-CG 4.48Å; I71-M75 HydrophobicContact CG2-SD 3.8Å; I71-M75 WeakPolarHBondContact O-CG 3.08Å; I71-M75 PolarHBondContact O-N 3.36Å
72L76.4Confident69.4Low94 Ų94108.3 Ų108.349%0.49256%0.562SS.*Hα-helixtrans-65.4-34.3179.8-71.8169.8000112.8L68 N76L68-L72 HydrophobicContact CD2-CD1 4.12Å; L68-L72 HydrophobicContact CG-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 VanDerWaalsContact O-CG 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.76Å; L72-N76 PolarHBondContact O-N 2.89Å; L72-N76 VanDerWaalsContact O-N 3.1Å
73S71.7Confident67.7Low57 Ų57111.8 Ų111.840%0.39957%0.574SS.*Hα-helixtrans-71.5-30.2176.564.60000113.2K69 A70 I71 N76K69-S73 PolarHBondContact O-N 2.88Å; K69-S73 VanDerWaalsContact O-N 3.08Å; K69-S73 PolarHBondContact O-OG 2.8Å; A70-S73 PolarHBondContact O-OG 2.9Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.78Å; S73-N76 CarbonylContact O-C 3.59Å
74Q68.4Low66Low159 Ų159110 Ų11074%0.74358%0.584SS**Hα-helixtrans-75.4-38.4175.3-71.7176.840.400112.2A70 I71A70-Q74 WeakPolarHBondContact O-CG 3.42Å; A70-Q74 PolarHBondContact O-N 3.18Å; I71-Q74 PolarHBondContact O-N 3Å
75M68.2Low64.5Low140 Ų140113.3 Ų113.369%0.6960%0.598SS**Hα-helixtrans-78.6-21.6-179.3-65.2178.976.200113.1I71I71-M75 HydrophobicContact CG2-CG 4.48Å; I71-M75 HydrophobicContact CG2-SD 3.8Å; I71-M75 WeakPolarHBondContact O-CG 3.08Å; I71-M75 PolarHBondContact O-N 3.36Å
76N59.9Low62.3Low74 Ų74111 Ų11140%0.39660%0.603SS.*  trans-150.194.5177.7-93-72.3000111.6L72 S73 S78 L79L72-N76 PolarHBondContact O-N 2.89Å; L72-N76 VanDerWaalsContact O-N 3.1Å; S73-N76 CarbonylContact O-C 3.59Å; N76-S78 PolarHBondContact O-N 3.29Å; N76-L79 HydrophobicContact CB-CB 3.98Å; N76-L79 HydrophobicContact CB-CD1 3.69Å; N76-L79 HydrophobicContact CB-CG 3.77Å; N76-L79 PolarHBondContact O-N 3.22Å
77P60.5Low60.6Low95 Ų95114.6 Ų114.662%0.61762%0.615SS**G310 helixtrans-62.3-17.4177.221.5-30.6000113.6S80P77-S80 PolarHBondContact O-OG 2.94Å
78S57Low59Low92 Ų92116 Ų11664%0.64363%0.63SS**G310 helixtrans-82.9-9.7175.350.20000114.9N76N76-S78 PolarHBondContact O-N 3.29Å
79L52.5Low57.7Low119 Ų119118.6 Ų118.662%0.62364%0.637SS**G310 helixtrans-102.45.7177.9-65.8-179.9000113.6N76N76-L79 HydrophobicContact CB-CB 3.98Å; N76-L79 HydrophobicContact CB-CD1 3.69Å; N76-L79 HydrophobicContact CB-CG 3.77Å; N76-L79 PolarHBondContact O-N 3.22Å
80S52.3Low56.2Low47 Ų47121 Ų12133%0.32965%0.65SS.*SBendtrans-58.5130.2160.849.50000108P77 R82P77-S80 PolarHBondContact O-OG 2.94Å; S80-R82 PolarHBondContact O-N 3.17Å
81P45.7Very low54.5Low128 Ų128125 Ų12583%0.83167%0.671SS**  trans-65.888.1168-620.3000105.7L83P81-L83 PolarHBondContact O-N 2.82Å
82R49.2Very low52.6Low204 Ų204124.9 Ų124.977%0.7769%0.69SS**  trans-60.1113.3166.2-64.9-149.1176.8-161.41.3104.1S80 C84S80-R82 PolarHBondContact O-N 3.17Å; R82-C84 VanDerWaalsContact C-N 3.34Å; R82-C84 PolarHBondContact O-N 2.89Å
83L42.9Very low51.5Low169 Ų169125.6 Ų125.689%0.88570%0.697SS**  trans-45.7111.8159.6-122.488.6000104.6P81 K85P81-L83 PolarHBondContact O-N 2.82Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 2.8Å
84C39Very low50.4Low123 Ų123132 Ų13283%0.83172%0.721SS**  trans-53.1107175.4-92.50000106.2R82 P86R82-C84 VanDerWaalsContact C-N 3.34Å; R82-C84 PolarHBondContact O-N 2.89Å; C84-P86 VanDerWaalsContact O-CD 3.31Å; C84-P86 WeakPolarHBondContact O-CD 3.48Å
85K45.4Very low49.4Very low194 Ų194130 Ų13084%0.84372%0.72SS**  trans-60.3117.6164.3-125.7124.1176.5178.30104.1L83 N87L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 2.8Å; K85-N87 PolarHBondContact O-N 2.92Å
86P36.2Very low48.3Very low110 Ų110127.6 Ų127.671%0.71472%0.717SS**  trans-57.2117.5174.222.2-29.6000107C84 T88C84-P86 VanDerWaalsContact O-CD 3.31Å; C84-P86 WeakPolarHBondContact O-CD 3.48Å; P86-T88 VanDerWaalsContact C-N 3.34Å; P86-T88 PolarHBondContact O-N 3.48Å
87N43Very low47.7Very low133 Ų133130.5 Ų130.571%0.71174%0.739SS**  trans-68.894.2175.4176.84.5000107.6K85 K89K85-N87 PolarHBondContact O-N 2.92Å; N87-K89 PolarHBondContact O-N 2.8Å; N87-K89 WeakPolarHBondContact OD1-CB 3.18Å; N87-K89 PolarHBondContact OD1-N 3.29Å; N87-K89 VanDerWaalsContact OD1-N 3.12Å
88T47.8Very low46.8Very low129 Ų129136.5 Ų136.579%0.79175%0.749SS**  trans-82.973.9165.4540000108.5P86P86-T88 VanDerWaalsContact C-N 3.34Å; P86-T88 PolarHBondContact O-N 3.48Å
89K54.6Low46.2Very low166 Ų166138.5 Ų138.572%0.72276%0.758SS**  trans-113.395158.4-88.4-174.2167.7-173.70108.4N87N87-K89 PolarHBondContact O-N 2.8Å; N87-K89 WeakPolarHBondContact OD1-CB 3.18Å; N87-K89 PolarHBondContact OD1-N 3.29Å; N87-K89 VanDerWaalsContact OD1-N 3.12Å
90E46Very low45.6Very low182 Ų182140.6 Ų140.685%0.8577%0.77SS**  trans47.985.9132.6-61.2176.7-162.400116.4
91V45.8Very low45.2Very low128 Ų128147.8 Ų147.878%0.77680%0.795SS**  trans-114.697.6142.5178.90000105.9V93V91-V93 HydrophobicContact CG1-CG2 4.13Å; V91-V93 PolarHBondContact O-N 2.95Å
92G42.6Very low45.5Very low80 Ų80146.3 Ų146.383%0.82579%0.794SS**  trans-67.996.5173.300000109.6Q94G92-Q94 PolarHBondContact O-N 2.76Å
93V52.1Low45.2Very low108 Ų108143.1 Ų143.166%0.65580%0.796SS**  trans-86.297.7165.2179.40000107V91 V95V91-V93 HydrophobicContact CG1-CG2 4.13Å; V91-V93 PolarHBondContact O-N 2.95Å; V93-V95 HydrophobicContact CG1-CG1 4.12Å; V93-V95 PolarHBondContact O-N 2.81Å
94Q48.1Very low45.3Very low192 Ų192144.2 Ų144.290%0.89780%0.797SS**  trans-71.593.9172.1-177.5170.5-22.400109G92G92-Q94 PolarHBondContact O-N 2.76Å
95V48.5Very low45.9Very low118 Ų118142.6 Ų142.672%0.71579%0.786SS**  trans-99.2115.6164.7-83.50000108.3V93V93-V95 HydrophobicContact CG1-CG1 4.12Å; V93-V95 PolarHBondContact O-N 2.81Å
96S44Very low46.3Very low89 Ų89139.1 Ų139.162%0.62279%0.786SS**  trans-62.7125.6174.921.70000109.8R98S96-R98 PolarHBondContact O-N 3.31Å
97P47.8Very low47.3Very low134 Ų134140.4 Ų140.487%0.8779%0.786SS**  trans-73.195175.628.6-31.1000108.3
98R43.1Very low47.5Very low221 Ų221136.4 Ų136.483%0.83478%0.776SS**  trans-11097.7166.5-70-163.2174.6-165.20.1108.6S96S96-R98 PolarHBondContact O-N 3.31Å
99V44.2Very low47.4Very low135 Ų135136.7 Ų136.782%0.81878%0.78SS**  trans58.7110.7151.8-178.20000115.9K101V99-K101 PolarHBondContact O-N 3Å
100D40.3Very low46.9Very low163 Ų163139.4 Ų139.487%0.87279%0.786SS**  trans-50.4105.4172-65-62.3000112.1A102D100-A102 PolarHBondContact O-N 2.81Å
101K42.5Very low46.8Very low198 Ų198137 Ų13786%0.86178%0.784SS**  trans-87.292.6161.2-159.5165-175.3173.70106.8V99 V103V99-K101 PolarHBondContact O-N 3Å; K101-V103 PolarHBondContact O-N 3.29Å; K101-V103 VanDerWaalsContact O-N 3.08Å
102A52.6Low46.5Very low97 Ų97138.8 Ų138.880%0.80279%0.788SS**  trans-55.3113.1178.600000110.5D100 Q104D100-A102 PolarHBondContact O-N 2.81Å; A102-Q104 PolarHBondContact O-N 2.94Å
103V43.2Very low46.3Very low136 Ų136140.2 Ų140.282%0.82479%0.786SS**  trans-82.5104.4167.1-178.70000106.6K101 C105K101-V103 PolarHBondContact O-N 3.29Å; K101-V103 VanDerWaalsContact O-N 3.08Å; V103-C105 PolarHBondContact O-N 3.11Å
104Q44.9Very low45.5Very low193 Ų193140.7 Ų140.790%0.90279%0.794SS**  trans-63.197.4175-174.6171.7-40.900109.5A102A102-Q104 PolarHBondContact O-N 2.94Å
105C50.3Low44.8Very low88 Ų88137.1 Ų137.160%0.59579%0.789SS**  trans-77.1134171.1102.40000109.3V103 L107V103-C105 PolarHBondContact O-N 3.11Å; C105-L107 PolarHBondContact O-N 2.92Å
106S54.4Low44.5Very low122 Ų122136.7 Ų136.785%0.85379%0.791SS**THydrogen-bonded Turntrans-75.820.3-175.645.80000114.5
107L56.8Low44Very low137 Ų137137.9 Ų137.972%0.71780%0.796SS**THydrogen-bonded Turntrans-113.70.7-174.3-64.1179.3000115.1C105C105-L107 PolarHBondContact O-N 2.92Å
108G48.6Very low43.3Very low49 Ų49144 Ų14451%0.50580%0.802SS.*  trans63.3165.7177.100000113.7R110G108-R110 PolarHBondContact O-N 2.94Å; G108-R110 VanDerWaalsContact O-N 3.09Å
109P44.2Very low42.8Very low134 Ų134141.8 Ų141.887%0.8781%0.807SS**  trans-71107.9178.626.9-30.3000109.7
110R44.7Very low42.1Very low223 Ų223138.8 Ų138.884%0.84280%0.803SS**  trans-101.9106.7166.3-72.1-170173.6-129.5-1109.1G108 L112G108-R110 PolarHBondContact O-N 2.94Å; G108-R110 VanDerWaalsContact O-N 3.09Å; R110-L112 PolarHBondContact O-N 3.2Å
111T44.7Very low41.7Very low133 Ų133142.9 Ų142.982%0.81681%0.806SS**  trans-67.4111.2168.3-37.20000108.1S113T111-S113 PolarHBondContact O-N 2.83Å
112L39.2Very low41.5Very low165 Ų165140.8 Ų140.886%0.86481%0.805SS**  trans-79.7104.7168.9-69.6176.7000108.1R110 S114R110-L112 PolarHBondContact O-N 3.2Å; L112-S114 PolarHBondContact O-N 3.43Å
113S37.2Very low41.3Very low110 Ų110141 Ų14177%0.76980%0.798SS**  trans-68.4105.617025.90000109.7T111 C115T111-S113 PolarHBondContact O-N 2.83Å; S113-C115 PolarHBondContact O-N 3.39Å
114S36.8Very low40.7Very low118 Ų118144.6 Ų144.683%0.82580%0.797SS**  trans-84.3100166.81610000108.6L112L112-S114 PolarHBondContact O-N 3.43Å
115C32.8Very low40.1Very low117 Ų117142.8 Ų142.879%0.79179%0.788SS**  trans-109.4109.5168.3-74.90000109.9S113S113-C115 PolarHBondContact O-N 3.39Å
116S41.5Very low39.1Very low108 Ų108142.4 Ų142.476%0.75579%0.792SS**  trans-69136.9164.553.40000110.5
117P34.6Very low38.3Very low114 Ų114144.5 Ų144.574%0.7479%0.792SS**  trans-113.189.1176.632.6-21.4000112.7
118W32.2Very low37.5Very low262 Ų262143.6 Ų143.699%0.99280%0.795SS**  trans-143.3129.7145.4-77.774.2000108.7
119D32.8Very low36.7Very low176 Ų176146.2 Ų146.294%0.94181%0.812SS**  trans-69.8158.2-159.1-83.2-59.6000119.2
120G30.3Very low36Very low71 Ų71146.6 Ų146.673%0.73282%0.816SS**  trans165.484.8148.400000118.9
121R31.6Very low35.3Very low249 Ų249139.1 Ų139.194%0.9481%0.808SS**  trans82.995.5156-55.9-177.4-154.5-129.71.9121.3
122D37.9Very low34.6Very low155 Ų155139.2 Ų139.283%0.82981%0.808SS**  29.8163.2122.3-125.4-2.2000123.3
123P47.7Very low34.1Very low101 Ų101137 Ų13766%0.65680%0.802SS**  -126.5167.9-65.326.5-7.8000114.5
124R31.3Very low33.9Very low212 Ų212136.9 Ų136.980%0.880%0.801SS**  trans176.5123.5130-87.3-114.6178.1-120.8-1113.8
125E31.7Very low34.7Very low154 Ų154137.5 Ų137.572%0.7280%0.802SS**  trans21.8150.6144.1-76162.5125.400122
126A30.8Very low34.5Very low81 Ų81135.1 Ų135.167%0.66980%0.797SS**  cis-172148.3-5.900000110.1
127L37.1Very low34.2Very low165 Ų165137.3 Ų137.386%0.86481%0.806SS**  trans41.5143.5146.5-61177000122.8
128P40.4Very low33.9Very low119 Ų119135.1 Ų135.177%0.77380%0.804SS**  -143.9147.588.926.2-3.8000114.1
129A30.6Very low34.1Very low104 Ų104132.8 Ų132.886%0.8680%0.795SS**  68.5130.875.800000115.8
130C30.2Very low34.2Very low142 Ų142134 Ų13496%0.95979%0.787SS**  trans-113.3163.2-158.6-164.60000112.7
131G29.2Very low34.4Very low65 Ų65135.1 Ų135.167%0.6778%0.783SS**  trans133.1152.7163.200000114.4
132V30Very low34.8Very low136 Ų136131 Ų13182%0.82478%0.779SS**  cis-169.9134.93.11440000106.8
133T29.9Very low34.6Very low118 Ų118131.4 Ų131.472%0.72478%0.779SS**  trans47.7112.5135.4-36.30000125.5
134S31.4Very low33.9Very low108 Ų108137.5 Ų137.576%0.75579%0.789SS**  62.4-178.7127.4-43.10000123.9
135P54.6Low33.9Very low131 Ų131135 Ų13585%0.85179%0.791SS**  -134.9-175.1-96.341.7-21.2000115.8
136G29.2Very low33.8Very low66 Ų66136.4 Ų136.468%0.6879%0.79SS**  trans150.1132.7147.100000121.6
137T35.3Very low34Very low154 Ų154141.2 Ų141.295%0.94579%0.79SS**  trans95.6128.4130.5-17.40000123.1
138G28.1Very low33.7Very low68 Ų68139.7 Ų139.770%0.70178%0.783SS**  trans125.390.9140.600000117.4
139R35.9Very low33.3Very low214 Ų214137 Ų13781%0.80878%0.777SS**  90.512686.1-101.8-167.4174.3-155.81.3118.2
140R35.1Very low33.5Very low201 Ų201139.9 Ų139.976%0.75878%0.778SS**  trans93.7115.8138.1-86-174.2-177.4-172.5-0.8124.6
141S34.4Very low33.5Very low94 Ų94141.3 Ų141.366%0.65777%0.77SS**  76.4110.9125-56.20000121.5
142L39Very low33.8Very low163 Ų163142.1 Ų142.185%0.85377%0.77SS**  70.2127.999-76.1164000114.5
143I34.6Very low33.8Very low164 Ų164143.2 Ų143.284%0.84177%0.766SS**  -173.5152.678.7-77.8173.8000111.2
144R32.7Very low34Very low229 Ų229142 Ų14286%0.86476%0.763SS**  trans-82.7159.1173.1-84.6179.7171.2-154.3-1.1115.1
145L32.2Very low34Very low159 Ų159146.3 Ų146.383%0.83277%0.768SS**  173126.7122.8-129.866.6000110
146R29.3Very low32.7Very low183 Ų183144.4 Ų144.469%0.69176%0.763SS**  55.4136.976.3-127.4-171.3169169.4-0.9113.4
147R34.5Very low33.2Very low182 Ų182149.1 Ų149.169%0.68777%0.772SS**  cis-177.2150.340.2178.8177.9-79.8-168.70.6113.6
148D32.1Very low33.3Very low134 Ų134147.8 Ų147.872%0.71777%0.766SS**  trans17.8154146.4-56.9-49.8000127.2
149G32.1Very low33.2Very low61 Ų61147.9 Ų147.963%0.62977%0.767SS**  trans132.5102.1132.200000115.2
150D33.5Very low33.7Very low166 Ų166143.5 Ų143.589%0.88877%0.766SS**  62.3150.189.6-60-29.8000114.8
151H30.9Very low33.2Very low172 Ų172143 Ų14380%0.79677%0.773SS**  cis-174.6172.1-23.4177.6-94.6000106.1
152A34.4Very low32.9Very low81 Ų81142.1 Ų142.167%0.66978%0.778SS**  trans88.6148.5158.700000118
153E29.6Very low32.4Very low159 Ų159138.8 Ų138.874%0.74377%0.774SS**  cis177150.6-15.9178.1-179.3114.700105.9
154S34.4Very low32.3Very low93 Ų93136.7 Ų136.765%0.6577%0.774SS**  trans138.6109.1141.5-66.70000113.7
155K32.3Very low32.2Very low198 Ų198133.5 Ų133.586%0.86177%0.769SS**  74.6144.9103-76.6-163178.1-175.80114.9
156A27.8Very low32.2Very low91 Ų91132.1 Ų132.175%0.75277%0.769SS**  cis-169.7162.8-8.300000107.6
157L39.8Very low32.3Very low166 Ų166131.3 Ų131.387%0.86977%0.773SS**  trans-70.7167.3172-67.2159.8000112.5
158P37.5Very low32.4Very low125 Ų125127.7 Ų127.781%0.81277%0.773SS**  -147.1159.592.932.4-12.2000116
159G26.1Very low32.2Very low71 Ų71126.8 Ų126.873%0.73278%0.778SS**  trans-91.1-155.9161.700000111.5
160P46.1Very low32.6Very low122 Ų122129.7 Ų129.779%0.79279%0.785SS**  cis-137-162.8-5.839-17.2000114
161E24.2Very low33.1Very low191 Ų191127.3 Ų127.389%0.89378%0.779SS**  trans114.7131.1144-142.6145.5160.700120.3
162G27.6Very low32.8Very low74 Ų74130.5 Ų130.576%0.76378%0.784SS**  trans163.365.6175.800000117.1
163A28.7Very low32.6Very low93 Ų93130.6 Ų130.677%0.76978%0.78SS**  trans10131.4156.800000123
164S32.5Very low32.5Very low121 Ų121132.1 Ų132.185%0.84679%0.787SS**  172.7109.8106.7-720000112.7
165Q30.5Very low32.2Very low161 Ų161132.1 Ų132.175%0.75279%0.793SS**  trans-96.3161.7149.2-98.7-155.1-13.200108.7
166P31.7Very low31.9Very low130 Ų130129.7 Ų129.784%0.84479%0.789SS**  -122.5144.1126.6-0.420.7000113.9
167Q31.2Very low32.1Very low166 Ų166135.7 Ų135.778%0.77679%0.793SS**  trans-82.8171.6175.7-90.8-144.7-55.400113.9
168P37Very low31.9Very low106 Ų106132.4 Ų132.469%0.68878%0.781SS**  trans-97.3167.4-176.238.6-33.4000114.3
169S28.1Very low31.3Very low116 Ų116136.1 Ų136.181%0.81179%0.788SS**  trans169.8171.2151.942.40000112.5
170P39.8Very low31.3Very low121 Ų121142.4 Ų142.479%0.78680%0.795SS**  -137.4-147.6-6350.1-31.5000111.8
171P44Very low30.7Very low117 Ų117142.9 Ų142.976%0.7680%0.798SS**  trans-120.1178.7-138.329.6-3000115.7
172R25.6Very low30.6Very low239 Ų239137.4 Ų137.490%0.90279%0.792SS**  trans169.1145.7156.9-95.9175.8-172.4-129.11.3107.6
173S30.1Very low30.7Very low83 Ų83143 Ų14358%0.5880%0.799SS**  cis-164.9129-6.9-84.90000105
174E26.5Very low30.9Very low190 Ų190144 Ų14489%0.88880%0.797SS**  76.7110.9108.4-61-166.7113.800117.5
175A28.7Very low30.5Very low94 Ų94146.7 Ų146.778%0.77780%0.797SS**  trans-171.3102132.900000104.9
176D27.1Very low30.3Very low146 Ų146148 Ų14878%0.78180%0.803SS**  46.6115.977.7-147.9-93.4000110
177R31.9Very low30Very low218 Ų218147.7 Ų147.782%0.82380%0.804SS**  cis-169.7-166.530.3-135.8-170.1153.3-155.5-0.2108.2
178P34.6Very low29.8Very low97 Ų97143 Ų14363%0.6380%0.799SS**  trans-131.8133.3-134.135.2-11000115.4
179E25.4Very low29.3Very low203 Ų203146 Ų14695%0.94980%0.804SS**  trans-139110169.6-67.1-168.2111.100113.8
180K27Very low29.5Very low203 Ų203150.5 Ų150.588%0.88381%0.809SS**  trans-109.4157.9136.5-88.7-170.7175.1-176.40105.3
181P32Very low28.8Very low131 Ų131151 Ų15185%0.85181%0.805SS**  cis-137.3174.719.134.6-13.4000114
182G23.6Very low28.1Very low76 Ų76149.1 Ų149.178%0.78480%0.799SS**  trans172.381.7168.500000116.6
183Q29.6Very low28.2Very low193 Ų193145 Ų14590%0.90280%0.795SS**  -115.8140.8127.6-76.6-160.2-55.400104.4
184P32.6Very low28.3Very low113 Ų113146.9 Ų146.973%0.73481%0.806SS**  -127.7168.658.3222.4000110.6
185E24.6Very low28.6Very low178 Ų178142.3 Ų142.383%0.83279%0.793SS**  -156.813083-57.3-141.4123.900108
186E25Very low28.6Very low188 Ų188146 Ų14688%0.87979%0.794SS**  54.397.482.9-159.2179.6111.700114
187S25.5Very low28.7Very low124 Ų124147.9 Ų147.987%0.86780%0.798SS**  trans-170.8106.9139175.10000103.6
188G26.3Very low28.6Very low66 Ų66143.5 Ų143.568%0.6880%0.796SS**  126.789.957.900000104.7
189E28.2Very low28.4Very low170 Ų170147.9 Ų147.979%0.79481%0.805SS**  trans8.4126.1150-154.1164.496.800117.5
190K31Very low28.7Very low211 Ų211143.4 Ų143.492%0.91780%0.796SS**  trans-153.1107.9133.7-108.8169.2-170.4-172.10110.5
191D26.5Very low29.1Very low131 Ų131142.5 Ų142.570%0.70179%0.793SS**  trans-50.2154.5169-89.7-66.6000115
192A27.7Very low29Very low77 Ų77145.4 Ų145.464%0.63680%0.795SS**  trans43.1116.514100000118.4
193L27.5Very low29.5Very low154 Ų154148 Ų14881%0.80680%0.795SS**  173.8113.2106.7-98.2136.6000109.7
194C32.7Very low30Very low121 Ų121145 Ų14582%0.81879%0.792SS**  trans-69.6127146.3-176.10000106.5
195P33.1Very low29.8Very low94 Ų94143 Ų14361%0.6179%0.792SS**  -152.3124.7118.331.1-11.3000112.7
196Q29.8Very low30.3Very low173 Ų173142.7 Ų142.781%0.80880%0.797SS**  trans-144.487.5138.3-85.7-146.37.500109.6T198Q196-T198 PolarHBondContact O-N 3.21Å
197E27.6Very low30.8Very low184 Ų184137.8 Ų137.886%0.8679%0.788SS**  trans-62.6103.5152.2-60.4-159110.100108.6K199E197-K199 PolarHBondContact O-N 3.14Å
198T30Very low31.7Very low126 Ų126136.9 Ų136.977%0.77379%0.788SS**  trans-73.688.3160.842.80000108.6Q196 S200Q196-T198 PolarHBondContact O-N 3.21Å; T198-S200 PolarHBondContact O-N 3.27Å
199K31.5Very low32.5Very low189 Ų189139.4 Ų139.482%0.82279%0.79SS**  trans-49.794.1162.6179175.8179.41730110.4E197E197-K199 PolarHBondContact O-N 3.14Å
200S31.7Very low33.3Very low110 Ų110139.1 Ų139.177%0.76979%0.789SS**PPolyproline II helixtrans-93.5118.6159.8-169.50000108.4T198 Q202T198-S200 PolarHBondContact O-N 3.27Å; S200-Q202 PolarHBondContact O-N 3.22Å
201K33.9Very low34Very low184 Ų184134.6 Ų134.680%0.878%0.781SS**PPolyproline II helixtrans-59120.5-179.1-61.5178.5175.1-176.20109.8
202Q31.1Very low35.3Very low191 Ų191136 Ų13689%0.89379%0.788SS**PPolyproline II helixtrans-102122.9160-75.6-173.7-000108.8S200S200-Q202 PolarHBondContact O-N 3.22Å
203V34.1Very low36.7Very low132 Ų132143.6 Ų143.680%0.880%0.8SS**PPolyproline II helixtrans-74.5137.8167.8173.60000107.7G205V203-G205 PolarHBondContact O-N 3.11Å
204P38.8Very low37.9Very low128 Ų128146.8 Ų146.883%0.83180%0.801SS**PPolyproline II helixtrans-79.8120.3175.423.2-14.5000109.5
205G29.7Very low39.2Very low72 Ų72144.8 Ų144.874%0.74279%0.787SS**  trans-131.9106.917200000109.2V203 A207V203-G205 PolarHBondContact O-N 3.11Å; G205-A207 PolarHBondContact O-N 3.23Å
206D35.1Very low40.6Very low172 Ų172146.6 Ų146.692%0.9279%0.791SS**  trans-53121.3172.6-104-56.4000112.1
207A34.4Very low42.3Very low84 Ų84142.1 Ų142.169%0.69477%0.769SS**  trans-160.8102.4149.300000107.9G205 T209G205-A207 PolarHBondContact O-N 3.23Å; A207-T209 VanDerWaalsContact C-N 3.34Å; A207-T209 PolarHBondContact O-N 3.35Å
208A45.1Very low44.7Very low105 Ų105136.7 Ų136.787%0.86874%0.744SS**  trans-54.794.517100000110.6
209T42.8Very low47.2Very low119 Ų119135.3 Ų135.373%0.7373%0.727SS**  trans-115.897.2158.8-56.80000105.3A207 P211A207-T209 VanDerWaalsContact C-N 3.34Å; A207-T209 PolarHBondContact O-N 3.35Å; T209-P211 VanDerWaalsContact O-CD 3.23Å; T209-P211 WeakPolarHBondContact O-CD 3.39Å
210E45.1Very low49.9Very low165 Ų165127 Ų12777%0.77169%0.692SS**  trans-39.5111.3167.3-75.3-70.1112.500108.9L212E210-L212 PolarHBondContact O-N 3.26Å
211P45Very low52.5Low115 Ų115125 Ų12575%0.74767%0.671SS**  trans-71.693.9175.327-28.3000105.7T209 R213T209-P211 VanDerWaalsContact O-CD 3.23Å; T209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-R213 WeakPolarHBondContact O-CA 3.07Å; P211-R213 PolarHBondContact O-N 2.77Å
212L54.9Low55Low161 Ų161117.8 Ų117.884%0.84364%0.642SS**  trans-37.3108167.3-145.989.1000106.5E210 R214E210-L212 PolarHBondContact O-N 3.26Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.3Å
213R56.5Low57.7Low236 Ų236109.5 Ų109.589%0.89160%0.603SS**  trans-4793.1-164.8-150.2-174.7-162.3-178.64.4108.5P211 P215P211-R213 WeakPolarHBondContact O-CA 3.07Å; P211-R213 PolarHBondContact O-N 2.77Å; R213-P215 WeakPolarHBondContact O-CD 3.16Å; R213-P215 VanDerWaalsContact O-N 3.07Å
214R53.3Low60.3Low221 Ų221104.3 Ų104.383%0.83457%0.569SS**  trans-60.8120.8-178.8-85.4-179.3164.8160.3-3104.4L212 N216L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.3Å; R214-N216 PolarHBondContact O-N 3Å; R214-N216 VanDerWaalsContact O-N 3.08Å
215P58.7Low62.8Low79 Ų7998.2 Ų98.251%0.51353%0.53SS..  trans-59.3125.5176.7-12.423.8000106.2R213 F217R213-P215 WeakPolarHBondContact O-CD 3.16Å; R213-P215 VanDerWaalsContact O-N 3.07Å; P215-F217 HydrophobicContact CB-CD1 4.37Å; P215-F217 HydrophobicContact CB-CD2 3.91Å; P215-F217 HydrophobicContact CB-CE1 3.93Å; P215-F217 HydrophobicContact CB-CE2 3.43Å; P215-F217 VanDerWaalsContact CB-CE2 3.43Å; P215-F217 HydrophobicContact CB-CG 4.37Å; P215-F217 HydrophobicContact CB-CZ 3.44Å; P215-F217 VanDerWaalsContact CB-CZ 3.44Å; P215-F217 HydrophobicContact CG-CD2 4.34Å; P215-F217 HydrophobicContact CG-CE1 4.49Å; P215-F217 HydrophobicContact CG-CE2 3.47Å; P215-F217 VanDerWaalsContact CG-CE2 3.47Å; P215-F217 HydrophobicContact CG-CZ 3.57Å; P215-F217 VanDerWaalsContact O-CD2 3.22Å; P215-F217 WeakPolarHBondContact O-CD2 3.38Å; P215-F217 PolarHBondContact O-N 3.22Å
216N63.3Low65.8Low133 Ų13395.3 Ų95.371%0.71150%0.497SS*.  trans-72.274.7177.6-78.8-38.9000108.4R214 Q218R214-N216 PolarHBondContact O-N 3Å; R214-N216 VanDerWaalsContact O-N 3.08Å; N216-Q218 PolarHBondContact O-N 3.01Å; N216-Q218 VanDerWaalsContact O-N 3.12Å
217F65.1Low68.6Low78 Ų7887.1 Ų87.134%0.34245%0.453SS..  trans-68.3110.4175.9-63.9-68.5000108.6P215 F219 H319P215-F217 HydrophobicContact CB-CD1 4.37Å; P215-F217 HydrophobicContact CB-CD2 3.91Å; P215-F217 HydrophobicContact CB-CE1 3.93Å; P215-F217 HydrophobicContact CB-CE2 3.43Å; P215-F217 VanDerWaalsContact CB-CE2 3.43Å; P215-F217 HydrophobicContact CB-CG 4.37Å; P215-F217 HydrophobicContact CB-CZ 3.44Å; P215-F217 VanDerWaalsContact CB-CZ 3.44Å; P215-F217 HydrophobicContact CG-CD2 4.34Å; P215-F217 HydrophobicContact CG-CE1 4.49Å; P215-F217 HydrophobicContact CG-CE2 3.47Å; P215-F217 VanDerWaalsContact CG-CE2 3.47Å; P215-F217 HydrophobicContact CG-CZ 3.57Å; P215-F217 VanDerWaalsContact O-CD2 3.22Å; P215-F217 WeakPolarHBondContact O-CD2 3.38Å; P215-F217 PolarHBondContact O-N 3.22Å; F217-F219 HydrophobicContact CB-CE2 4.11Å; F217-F219 HydrophobicContact CB-CZ 4.34Å; F217-F219 WeakPolarHBondContact O-CD2 3.48Å; F217-F219 PolarHBondContact O-N 3.38Å; F217-H319 AromaticContact CE1-CD2 3.78Å; F217-H319 AromaticContact CE1-CE1 3.9Å; F217-H319 AromaticContact CE1-NE2 3.53Å
218Q78Confident71.5Confident70 Ų7086 Ų8633%0.32743%0.433SS..EExtended strand (participates in β ladder)trans-81108.9166.2-78.5176.318.100107.6N216 I244 K318 V320N216-Q218 PolarHBondContact O-N 3.01Å; N216-Q218 VanDerWaalsContact O-N 3.12Å; Q218-I244 HydrophobicContact CB-CG2 4.25Å; Q218-I244 HydrophobicContact CG-CG2 4.23Å; Q218-K318 HydrophobicContact CB-CB 4.19Å; Q218-K318 HydrophobicContact CB-CD 4.32Å; Q218-K318 PolarHBondContact N-O 3.48Å; Q218-K318 VanDerWaalsContact O-CB 3.29Å; Q218-K318 WeakPolarHBondContact O-CB 3.34Å; Q218-K318 PolarHBondContact O-N 3.22Å; Q218-V320 HydrophobicContact CB-CG2 4.43Å; Q218-V320 HydrophobicContact CG-CG2 4.3Å
219F83.1Confident73.9Confident98 Ų9881 Ų8143%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-69.5144171.3-66.1-88.7000109.2F217 S245 F317F217-F219 HydrophobicContact CB-CE2 4.11Å; F217-F219 HydrophobicContact CB-CZ 4.34Å; F217-F219 WeakPolarHBondContact O-CD2 3.48Å; F217-F219 PolarHBondContact O-N 3.38Å; F219-S245 VanDerWaalsContact C-OG 3.26Å; F219-S245 VanDerWaalsContact CB-OG 3.24Å; F219-S245 WeakPolarHBondContact CB-OG 3.34Å; F219-S245 WeakPolarHBondContact O-CB 3.48Å; F219-S245 PolarHBondContact O-N 3.21Å; F219-S245 PolarHBondContact O-OG 3.4Å; F219-F317 HydrophobicContact CD1-CD1 4.28Å; F219-F317 HydrophobicContact CD1-CE1 4.27Å; F219-F317 AromaticContact CE1-CD1 3.84Å; F219-F317 HydrophobicContact CE1-CD1 3.84Å; F219-F317 AromaticContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CZ-CE1 4.31Å
220L87.9Confident76.4Confident14 Ų1482.8 Ų82.87%0.07339%0.389CS..EExtended strand (participates in β ladder)trans-103.5129.7166.9-53.7173.9000109.5W242 C243 I244 Y251 F252 S316L220-W242 HydrophobicContact CB-CB 4.36Å; L220-W242 HydrophobicContact CB-CE3 4.05Å; L220-W242 HydrophobicContact CD1-CB 4.3Å; L220-C243 CarbonylContact C-O 3.5Å; L220-C243 WeakPolarHBondContact CA-O 3.17Å; L220-I244 HydrophobicContact CD2-CG1 4.01Å; L220-Y251 HydrophobicContact CD1-CD1 3.7Å; L220-Y251 HydrophobicContact CD1-CE1 4.38Å; L220-Y251 HydrophobicContact CD1-CG 3.97Å; L220-Y251 HydrophobicContact CD2-CD2 4.33Å; L220-Y251 HydrophobicContact CD2-CG 3.96Å; L220-F252 HydrophobicContact CD1-CD2 4.43Å; L220-F252 HydrophobicContact CD1-CE2 3.82Å; L220-S316 WeakPolarHBondContact CB-OG 3.3Å; L220-S316 PolarHBondContact N-O 3.28Å
221E86.3Confident78.7Confident69 Ų6979 Ų7932%0.32238%0.375SS..EExtended strand (participates in β ladder)trans-100.6133.6178.3-169.8-175.316600109.8C243E221-C243 PolarHBondContact N-O 3.33Å; E221-C243 PolarHBondContact O-N 3.35Å
222P85.8Confident81.1Confident31 Ų3175.4 Ų75.420%0.20135%0.351CS..EExtended strand (participates in β ladder)trans-71.2130170.830.5-32.5000109.9V241 W242 I271P222-V241 CarbonylContact C-O 3.59Å; P222-V241 WeakPolarHBondContact CA-O 3.47Å; P222-W242 HydrophobicContact CB-CE3 4.34Å; P222-W242 HydrophobicContact CB-CH2 4.16Å; P222-W242 HydrophobicContact CB-CZ3 4.03Å; P222-W242 HydrophobicContact CG-CH2 4.5Å; P222-W242 HydrophobicContact CG-CZ3 4.26Å; P222-I271 HydrophobicContact CB-CD1 4.22Å
223K88.8Confident83Confident18 Ų1874.4 Ų74.48%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-128.7159.3177.2-68-167172.8175.30110.7A239 V241 C243 T247 N248 V268 E269K223-A239 CarbonylContact O-C 3.6Å; K223-V241 PolarHBondContact N-O 3.32Å; K223-V241 WeakPolarHBondContact O-CB 3.35Å; K223-V241 PolarHBondContact O-N 2.81Å; K223-C243 HydrophobicContact CD-CB 3.93Å; K223-C243 HydrophobicContact CG-CB 4.36Å; K223-T247 PolarHBondContact NZ-O 2.8Å; K223-N248 PolarHBondContact NZ-OD1 3.37Å; K223-V268 HydrophobicContact CB-CG1 3.37Å; K223-V268 HydrophobicContact CD-CG1 3.61Å; K223-V268 HydrophobicContact CG-CG1 4.09Å; K223-E269 WeakPolarHBondContact CB-O 3.47Å
224Y89Confident84.8Confident22 Ų2264.4 Ų64.49%0.08631%0.306CS..EExtended strand (participates in β ladder)trans-84126.7172.4-161.1-101.5000109.4Y226 E237 S238 A239 V268 E269 I290 R294Y224-Y226 HydrophobicContact CD1-CD2 4.41Å; Y224-Y226 HydrophobicContact CD1-CE1 4.36Å; Y224-Y226 AromaticContact CD1-CE2 3.73Å; Y224-Y226 HydrophobicContact CD1-CE2 3.73Å; Y224-Y226 AromaticContact CD1-CZ 3.71Å; Y224-Y226 AromaticContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE2 4.1Å; Y224-Y226 AromaticContact CE1-CZ 3.64Å; Y224-E237 HydrophobicContact CE1-CB 3.99Å; Y224-E237 HydrophobicContact CE1-CG 4.41Å; Y224-E237 WeakPolarHBondContact OH-CB 3.31Å; Y224-E237 PolarHBondContact OH-OE2 2.88Å; Y224-S238 WeakPolarHBondContact CA-O 3.35Å; Y224-A239 HydrophobicContact CD2-CB 4.03Å; Y224-A239 HydrophobicContact CE2-CB 4.38Å; Y224-V268 CarbonylContact O-C 3.51Å; Y224-V268 VanDerWaalsContact O-CA 3.28Å; Y224-V268 WeakPolarHBondContact O-CA 3.17Å; Y224-E269 PolarHBondContact N-O 3.44Å; Y224-E269 PolarHBondContact O-N 2.69Å; Y224-I290 HydrophobicContact CD2-CB 4.49Å; Y224-I290 HydrophobicContact CD2-CG1 4.35Å; Y224-I290 HydrophobicContact CD2-CG2 3.47Å; Y224-I290 VanDerWaalsContact CD2-CG2 3.47Å; Y224-I290 HydrophobicContact CE2-CG2 4.05Å; Y224-I290 HydrophobicContact CG-CG2 4.29Å; Y224-R294 PolarHBondContact OH-NH1 2.82Å
225G91.2Very high86.7Confident0 Ų063.2 Ų63.20%030%0.301CS..EExtended strand (participates in β ladder)trans-126.5145.5-178.900000113.3E237 S238 R267G225-E237 WeakPolarHBondContact O-CA 3.39Å; G225-S238 PolarHBondContact N-O 3.34Å; G225-S238 PolarHBondContact O-N 2.93Å; G225-R267 WeakPolarHBondContact CA-O 3.33Å
226Y91.4Very high88.3Confident12 Ų1261.6 Ų61.65%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-108.6132.6176.1-55.4-100.4000109.4Y224 E237 P265 Y266 R267 E269 R288Y224-Y226 HydrophobicContact CD1-CD2 4.41Å; Y224-Y226 HydrophobicContact CD1-CE1 4.36Å; Y224-Y226 AromaticContact CD1-CE2 3.73Å; Y224-Y226 HydrophobicContact CD1-CE2 3.73Å; Y224-Y226 AromaticContact CD1-CZ 3.71Å; Y224-Y226 AromaticContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE2 4.1Å; Y224-Y226 AromaticContact CE1-CZ 3.64Å; Y226-E237 HydrophobicContact CD1-CG 3.67Å; Y226-E237 WeakPolarHBondContact CD1-OE1 3.38Å; Y226-E237 HydrophobicContact CE1-CG 4.09Å; Y226-E237 VanDerWaalsContact CE1-OE1 3.31Å; Y226-E237 WeakPolarHBondContact CE1-OE1 3.49Å; Y226-E237 HydrophobicContact CG-CG 4.49Å; Y226-P265 CarbonylContact O-C 3.54Å; Y226-P265 WeakPolarHBondContact O-CA 3.24Å; Y226-P265 VanDerWaalsContact O-CB 3.23Å; Y226-P265 WeakPolarHBondContact O-CB 3.27Å; Y226-Y266 WeakPolarHBondContact CB-OH 3.24Å; Y226-Y266 WeakPolarHBondContact O-CD1 3.49Å; Y226-Y266 WeakPolarHBondContact O-CE1 3.31Å; Y226-Y266 PolarHBondContact O-N 3.05Å; Y226-R267 HydrophobicContact CD2-CB 3.86Å; Y226-R267 HydrophobicContact CD2-CG 4.09Å; Y226-R267 VanDerWaalsContact CE1-NH2 3.34Å; Y226-R267 HydrophobicContact CE2-CG 4.43Å; Y226-R267 HydrophobicContact CG-CB 4.43Å; Y226-R267 PolarHBondContact N-O 2.8Å; Y226-E269 VanDerWaalsContact CE2-CD 3.42Å; Y226-E269 HydrophobicContact CE2-CG 4.13Å; Y226-E269 WeakPolarHBondContact CE2-OE1 3.37Å; Y226-E269 PolarHBondContact OH-OE1 2.97Å; Y226-E269 PolarHBondContact OH-OE2 3.37Å; Y226-R288 PolarHBondContact OH-NH1 2.9Å
227F94.5Very high89.6Confident0 Ų059.3 Ų59.30%027%0.27CS..EExtended strand (participates in β ladder)trans-125.3151.9-173.5-63.4-98000111.8R235 W236 V241 Q254 F263 P265F227-R235 WeakPolarHBondContact O-CA 3.19Å; F227-W236 HydrophobicContact CB-CD2 3.43Å; F227-W236 VanDerWaalsContact CB-CD2 3.43Å; F227-W236 HydrophobicContact CB-CE3 3.78Å; F227-W236 HydrophobicContact CB-CG 4.01Å; F227-W236 HydrophobicContact CB-CH2 3.7Å; F227-W236 HydrophobicContact CB-CZ2 3.35Å; F227-W236 HydrophobicContact CB-CZ3 3.89Å; F227-W236 AromaticContact CD1-CE2 3.96Å; F227-W236 HydrophobicContact CD1-CH2 4.46Å; F227-W236 AromaticContact CD1-CZ2 3.68Å; F227-W236 HydrophobicContact CD1-CZ2 3.68Å; F227-W236 AromaticContact CD2-CD1 3.79Å; F227-W236 AromaticContact CD2-CE2 3.97Å; F227-W236 HydrophobicContact CD2-CG 4.49Å; F227-W236 AromaticContact CD2-NE1 3.42Å; F227-W236 HydrophobicContact CG-CD2 4.15Å; F227-W236 AromaticContact CG-CE2 3.45Å; F227-W236 VanDerWaalsContact CG-CE2 3.45Å; F227-W236 HydrophobicContact CG-CH2 4.4Å; F227-W236 AromaticContact CG-CZ2 3.63Å; F227-W236 HydrophobicContact CG-CZ2 3.63Å; F227-W236 AromaticContact CG-NE1 3.41Å; F227-W236 PolarHBondContact N-O 3.34Å; F227-W236 PolarHBondContact O-N 3.18Å; F227-V241 HydrophobicContact CE2-CG2 3.64Å; F227-V241 HydrophobicContact CZ-CG2 3.57Å; F227-Q254 HydrophobicContact CD1-CB 4.36Å; F227-Q254 HydrophobicContact CE1-CB 3.76Å; F227-Q254 HydrophobicContact CE1-CG 3.99Å; F227-Q254 HydrophobicContact CE2-CG 4.33Å; F227-Q254 HydrophobicContact CZ-CB 3.89Å; F227-Q254 VanDerWaalsContact CZ-CD 3.45Å; F227-Q254 HydrophobicContact CZ-CG 3.63Å; F227-F263 HydrophobicContact CD1-CB 4.37Å; F227-P265 HydrophobicContact CD1-CB 4.05Å; F227-P265 HydrophobicContact CD2-CB 4.29Å; F227-P265 HydrophobicContact CE1-CB 3.78Å; F227-P265 VanDerWaalsContact CE1-CD 3.44Å; F227-P265 HydrophobicContact CE1-CG 4.08Å; F227-P265 VanDerWaalsContact CE1-N 3.28Å; F227-P265 HydrophobicContact CE2-CB 4.01Å; F227-P265 HydrophobicContact CG-CB 4.3Å; F227-P265 HydrophobicContact CZ-CB 3.74Å; F227-P265 HydrophobicContact CZ-CG 4.02Å
228H95.3Very high90.6Very high61 Ų6156.4 Ų56.428%0.28226%0.259SS..EExtended strand (participates in β ladder)trans-142.7120.6175.5168-107.6000109.5Y266H228-Y266 HydrophobicContact CB-CD1 4.09Å; H228-Y266 HydrophobicContact CB-CE1 4.17Å
229C96.1Very high91Very high0 Ų053.2 Ų53.20%025%0.245CC..  trans-79.2121.3173-178.50000109.2D231 C232 K233 T234 W236 C256 F263C229-D231 VanDerWaalsContact C-N 3.3Å; C229-D231 PolarHBondContact O-N 3.49Å; C229-C232 VanDerWaalsContact CB-SG 3.59Å; C229-C232 PolarHBondContact SG-N 3.37Å; C229-C232 PolarHBondContact SG-SG 2.95Å; C229-K233 WeakPolarHBondContact O-CA 3.27Å; C229-K233 PolarHBondContact O-N 3.19Å; C229-T234 PolarHBondContact N-O 3.36Å; C229-W236 HydrophobicContact CB-CH2 4.43Å; C229-W236 HydrophobicContact CB-CZ3 3.87Å; C229-C256 HydrophobicContact CB-CB 4.19Å; C229-F263 HydrophobicContact CB-CE2 4.04Å; C229-F263 HydrophobicContact CB-CZ 4.07Å; C229-F263 VanDerWaalsContact SG-CE2 3.53Å; C229-F263 WeakPolarHBondContact SG-CZ 3.45Å
230K94.3Very high91.1Very high155 Ų15550 Ų5067%0.67423%0.23SC*.THydrogen-bonded Turntrans-67.6-31.6179.2-66.7-173.4179-174.10112.7K233K230-K233 PolarHBondContact O-NZ 2.99Å
231D95.1Very high91.2Very high87 Ų8749.3 Ų49.347%0.46523%0.227SC..THydrogen-bonded Turntrans-78.5-55.5-175.9-54.5-73.9000112.3C229 K261C229-D231 VanDerWaalsContact C-N 3.3Å; C229-D231 PolarHBondContact O-N 3.49Å; D231-K261 IonicContact OD1-NZ 3.9Å; D231-K261 PolarHBondContact OD1-NZ 2.86Å; D231-K261 WeakPolarHBondContact OD2-CD 3.47Å; D231-K261 WeakPolarHBondContact OD2-CE 3.28Å; D231-K261 IonicContact OD2-NZ 2.89Å; D231-K261 PolarHBondContact OD2-NZ 2.87Å
232C94.9Very high91.3Very high38 Ų3846.2 Ų46.226%0.25721%0.212SC..THydrogen-bonded Turntrans-1048.6-174.771.50000114.3C229 T234 C256 K258 C259C229-C232 VanDerWaalsContact CB-SG 3.59Å; C229-C232 PolarHBondContact SG-N 3.37Å; C229-C232 PolarHBondContact SG-SG 2.95Å; C232-T234 PolarHBondContact O-N 2.77Å; C232-T234 PolarHBondContact O-OG1 2.97Å; C232-T234 PolarHBondContact SG-OG1 3.2Å; C232-C256 PolarHBondContact SG-SG 2.97Å; C232-K258 HydrophobicContact CB-CB 4.45Å; C232-K258 HydrophobicContact CB-CD 4.24Å; C232-C259 VanDerWaalsContact CB-SG 3.58Å
233K95Very high91.5Very high140 Ų14044.7 Ų44.761%0.60920%0.202SC*.  trans55.112.6179.1-51.4-55.1-175.3-1650115.6C229 K230 R235C229-K233 WeakPolarHBondContact O-CA 3.27Å; C229-K233 PolarHBondContact O-N 3.19Å; K230-K233 PolarHBondContact O-NZ 2.99Å; K233-R235 PolarHBondContact O-N 2.98Å
234T94Very high91.6Very high27 Ų2744.9 Ų44.917%0.16620%0.204CC..  trans-71.5129.7-179.8-61.10000109.2C229 C232 W236 K258C229-T234 PolarHBondContact N-O 3.36Å; C232-T234 PolarHBondContact O-N 2.77Å; C232-T234 PolarHBondContact O-OG1 2.97Å; C232-T234 PolarHBondContact SG-OG1 3.2Å; T234-W236 HydrophobicContact CG2-CE3 4.49Å; T234-W236 WeakPolarHBondContact O-CZ3 3.23Å; T234-K258 WeakPolarHBondContact OG1-CE 3.1Å; T234-K258 PolarHBondContact OG1-NZ 2.77Å
235R93.5Very high91.5Very high196 Ų19646.1 Ų46.174%0.7422%0.216SC*.EExtended strand (participates in β ladder)trans-104140174.1-64178.5-177.9163.60.3109F227 K233F227-R235 WeakPolarHBondContact O-CA 3.19Å; K233-R235 PolarHBondContact O-N 2.98Å
236W91.6Very high91.2Very high45 Ų4549.9 Ų49.917%0.1725%0.254CS..EExtended strand (participates in β ladder)trans-150.7163.6174.872.597.1000111.1F227 C229 T234 Q254 C256 F263F227-W236 HydrophobicContact CB-CD2 3.43Å; F227-W236 VanDerWaalsContact CB-CD2 3.43Å; F227-W236 HydrophobicContact CB-CE3 3.78Å; F227-W236 HydrophobicContact CB-CG 4.01Å; F227-W236 HydrophobicContact CB-CH2 3.7Å; F227-W236 HydrophobicContact CB-CZ2 3.35Å; F227-W236 HydrophobicContact CB-CZ3 3.89Å; F227-W236 AromaticContact CD1-CE2 3.96Å; F227-W236 HydrophobicContact CD1-CH2 4.46Å; F227-W236 AromaticContact CD1-CZ2 3.68Å; F227-W236 HydrophobicContact CD1-CZ2 3.68Å; F227-W236 AromaticContact CD2-CD1 3.79Å; F227-W236 AromaticContact CD2-CE2 3.97Å; F227-W236 HydrophobicContact CD2-CG 4.49Å; F227-W236 AromaticContact CD2-NE1 3.42Å; F227-W236 HydrophobicContact CG-CD2 4.15Å; F227-W236 AromaticContact CG-CE2 3.45Å; F227-W236 VanDerWaalsContact CG-CE2 3.45Å; F227-W236 HydrophobicContact CG-CH2 4.4Å; F227-W236 AromaticContact CG-CZ2 3.63Å; F227-W236 HydrophobicContact CG-CZ2 3.63Å; F227-W236 AromaticContact CG-NE1 3.41Å; F227-W236 PolarHBondContact N-O 3.34Å; F227-W236 PolarHBondContact O-N 3.18Å; C229-W236 HydrophobicContact CB-CH2 4.43Å; C229-W236 HydrophobicContact CB-CZ3 3.87Å; T234-W236 HydrophobicContact CG2-CE3 4.49Å; T234-W236 WeakPolarHBondContact O-CZ3 3.23Å; W236-Q254 HydrophobicContact CZ2-CB 4.49Å; W236-C256 HydrophobicContact CH2-CB 4.06Å; W236-C256 HydrophobicContact CZ3-CB 4.3Å; W236-F263 HydrophobicContact CH2-CB 4Å; W236-F263 AromaticContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CG 4.05Å; W236-F263 HydrophobicContact CZ2-CB 4.28Å
237E90.1Very high91Very high84 Ų8452.1 Ų52.139%0.39327%0.269SS..EExtended strand (participates in β ladder)trans-131.9146.2-176.7-58.5172.5168.800109Y224 G225 Y226 R294Y224-E237 HydrophobicContact CE1-CB 3.99Å; Y224-E237 HydrophobicContact CE1-CG 4.41Å; Y224-E237 WeakPolarHBondContact OH-CB 3.31Å; Y224-E237 PolarHBondContact OH-OE2 2.88Å; G225-E237 WeakPolarHBondContact O-CA 3.39Å; Y226-E237 HydrophobicContact CD1-CG 3.67Å; Y226-E237 WeakPolarHBondContact CD1-OE1 3.38Å; Y226-E237 HydrophobicContact CE1-CG 4.09Å; Y226-E237 VanDerWaalsContact CE1-OE1 3.31Å; Y226-E237 WeakPolarHBondContact CE1-OE1 3.49Å; Y226-E237 HydrophobicContact CG-CG 4.49Å; E237-R294 IonicContact OE2-NH1 2.88Å
238S86.3Confident90.8Very high17 Ų1757.1 Ų57.112%0.11930%0.296CS..EExtended strand (participates in β ladder)trans-149.8137-177.7-173.20000112Y224 G225 Y240 Q254Y224-S238 WeakPolarHBondContact CA-O 3.35Å; G225-S238 PolarHBondContact N-O 3.34Å; G225-S238 PolarHBondContact O-N 2.93Å; S238-Y240 VanDerWaalsContact C-N 3.25Å; S238-Y240 PolarHBondContact OG-N 3Å; S238-Q254 VanDerWaalsContact CB-OE1 3.24Å; S238-Q254 PolarHBondContact OG-NE2 2.76Å
239A85.8Confident90.6Very high3 Ų361.2 Ų61.23%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-83.61170.900000113.1K223 Y224 I271 I290K223-A239 CarbonylContact O-C 3.6Å; Y224-A239 HydrophobicContact CD2-CB 4.03Å; Y224-A239 HydrophobicContact CE2-CB 4.38Å; A239-I271 HydrophobicContact CB-CD1 4.1Å; A239-I271 WeakPolarHBondContact O-CD1 3.43Å; A239-I290 HydrophobicContact CB-CG2 3.96Å
240Y85.8Confident90.4Very high30 Ų3062.6 Ų62.612%0.11832%0.321CS..EExtended strand (participates in β ladder)trans-108.945.4-178.1-59.1-83.4000111.6S238 Q254 L292 R294 H296 C311S238-Y240 VanDerWaalsContact C-N 3.25Å; S238-Y240 PolarHBondContact OG-N 3Å; Y240-Q254 PolarHBondContact O-NE2 3.41Å; Y240-Q254 VanDerWaalsContact O-NE2 3.11Å; Y240-L292 PolarHBondContact OH-O 2.82Å; Y240-R294 WeakPolarHBondContact CE2-O 3.37Å; Y240-R294 PolarHBondContact OH-O 3.03Å; Y240-H296 AromaticContact CD1-ND1 3.52Å; Y240-H296 HydrophobicContact CD2-CB 4.09Å; Y240-H296 AromaticContact CD2-CG 3.94Å; Y240-H296 AromaticContact CD2-ND1 3.06Å; Y240-H296 WeakPolarHBondContact CD2-ND1 3.37Å; Y240-H296 HydrophobicContact CE1-CB 4.23Å; Y240-H296 AromaticContact CE1-ND1 3.87Å; Y240-H296 HydrophobicContact CE2-CB 3.49Å; Y240-H296 VanDerWaalsContact CE2-CB 3.49Å; Y240-H296 AromaticContact CE2-CG 3.83Å; Y240-H296 AromaticContact CE2-ND1 3.42Å; Y240-H296 WeakPolarHBondContact CE2-ND1 3.23Å; Y240-H296 AromaticContact CG-CE1 3.71Å; Y240-H296 AromaticContact CG-ND1 3.08Å; Y240-H296 AromaticContact CZ-CG 3.98Å; Y240-H296 AromaticContact CZ-ND1 3.82Å; Y240-C311 HydrophobicContact CD1-CB 3.8Å; Y240-C311 HydrophobicContact CE1-CB 4.26Å
241V89.5Confident90.2Very high1 Ų160.1 Ų60.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-95.4128.5169.1-178.10000108.3P222 K223 F227 V250 P265P222-V241 CarbonylContact C-O 3.59Å; P222-V241 WeakPolarHBondContact CA-O 3.47Å; K223-V241 PolarHBondContact N-O 3.32Å; K223-V241 WeakPolarHBondContact O-CB 3.35Å; K223-V241 PolarHBondContact O-N 2.81Å; F227-V241 HydrophobicContact CE2-CG2 3.64Å; F227-V241 HydrophobicContact CZ-CG2 3.57Å; V241-V250 HydrophobicContact CG1-CB 4.48Å; V241-V250 HydrophobicContact CG1-CG1 3.93Å; V241-V250 HydrophobicContact CG1-CG2 3.77Å; V241-P265 HydrophobicContact CG1-CG 4.01Å
242W89.4Confident89.9Confident3 Ų358.2 Ų58.21%0.01130%0.296CS..EExtended strand (participates in β ladder)trans-106.5114.6-177.8-64.794.4000109.5L220 P222 V250 Y251 F252L220-W242 HydrophobicContact CB-CB 4.36Å; L220-W242 HydrophobicContact CB-CE3 4.05Å; L220-W242 HydrophobicContact CD1-CB 4.3Å; P222-W242 HydrophobicContact CB-CE3 4.34Å; P222-W242 HydrophobicContact CB-CH2 4.16Å; P222-W242 HydrophobicContact CB-CZ3 4.03Å; P222-W242 HydrophobicContact CG-CH2 4.5Å; P222-W242 HydrophobicContact CG-CZ3 4.26Å; W242-V250 WeakPolarHBondContact O-CA 3.44Å; W242-Y251 PolarHBondContact O-N 3.08Å; W242-F252 HydrophobicContact CB-CD2 3.83Å; W242-F252 AromaticContact CD1-CD2 3.95Å; W242-F252 HydrophobicContact CG-CD2 4.02Å
243C90.4Very high89.8Confident0 Ų061.1 Ų61.10%030%0.304CS..EExtended strand (participates in β ladder)trans-109.1151.8177.9-68.20000110.7L220 E221 K223 S245 K249L220-C243 CarbonylContact C-O 3.5Å; L220-C243 WeakPolarHBondContact CA-O 3.17Å; E221-C243 PolarHBondContact N-O 3.33Å; E221-C243 PolarHBondContact O-N 3.35Å; K223-C243 HydrophobicContact CD-CB 3.93Å; K223-C243 HydrophobicContact CG-CB 4.36Å; C243-S245 PolarHBondContact O-N 3.01Å; C243-K249 CarbonylContact C-O 3.46Å; C243-K249 WeakPolarHBondContact CA-O 3.44Å
244I89.9Confident89.7Confident22 Ų2254.9 Ų54.911%0.11328%0.277CS..EExtended strand (participates in β ladder)trans-63124.7169.7-58.5169.8000108Q218 L220 G246 T247 K249Q218-I244 HydrophobicContact CB-CG2 4.25Å; Q218-I244 HydrophobicContact CG-CG2 4.23Å; L220-I244 HydrophobicContact CD2-CG1 4.01Å; I244-G246 PolarHBondContact O-N 3.12Å; I244-T247 WeakPolarHBondContact CB-OG1 3.11Å; I244-T247 CarbonylContact O-C 3.55Å; I244-T247 WeakPolarHBondContact O-CA 3.47Å; I244-T247 PolarHBondContact O-N 3.2Å; I244-T247 VanDerWaalsContact O-O 3.06Å; I244-T247 PolarHBondContact O-OG1 3.24Å; I244-K249 HydrophobicContact CD1-CB 4.29Å; I244-K249 HydrophobicContact CD1-CD 3.95Å; I244-K249 HydrophobicContact CD1-CG 4.16Å; I244-K249 PolarHBondContact N-O 3.39Å
245S87.3Confident89.7Confident48 Ų4854.6 Ų54.634%0.33628%0.275SS..THydrogen-bonded Turntrans-51136.9-179.4-69.50000111.3F219 C243 T247F219-S245 VanDerWaalsContact C-OG 3.26Å; F219-S245 VanDerWaalsContact CB-OG 3.24Å; F219-S245 WeakPolarHBondContact CB-OG 3.34Å; F219-S245 WeakPolarHBondContact O-CB 3.48Å; F219-S245 PolarHBondContact O-N 3.21Å; F219-S245 PolarHBondContact O-OG 3.4Å; C243-S245 PolarHBondContact O-N 3.01Å; S245-T247 PolarHBondContact O-N 3.47Å
246G83.9Confident89.7Confident79 Ų7945.2 Ų45.281%0.81424%0.24SC*.THydrogen-bonded Turntrans78.9-3.9-173.500000114.7I244I244-G246 PolarHBondContact O-N 3.12Å
247T88.2Confident89.7Confident59 Ų5945.9 Ų45.936%0.36225%0.25SS..SBendtrans-132.5170.6177.278.60000112K223 I244 S245 K249K223-T247 PolarHBondContact NZ-O 2.8Å; I244-T247 WeakPolarHBondContact CB-OG1 3.11Å; I244-T247 CarbonylContact O-C 3.55Å; I244-T247 WeakPolarHBondContact O-CA 3.47Å; I244-T247 PolarHBondContact O-N 3.2Å; I244-T247 VanDerWaalsContact O-O 3.06Å; I244-T247 PolarHBondContact O-OG1 3.24Å; S245-T247 PolarHBondContact O-N 3.47Å; T247-K249 PolarHBondContact OG1-N 3.48Å; T247-K249 VanDerWaalsContact OG1-N 3.17Å
248N89.8Confident89.9Confident105 Ų10548.9 Ų48.956%0.56126%0.262SS*.  trans-99.315.7169.4-67.1-26.3000112.4K223 V250K223-N248 PolarHBondContact NZ-OD1 3.37Å; N248-V250 PolarHBondContact O-N 2.66Å
249K91.3Very high90.2Very high146 Ų14650 Ų5064%0.63527%0.269SS*.  trans-77.5112.2-179.5-176168.9177.1177.20110.3C243 I244 T247C243-K249 CarbonylContact C-O 3.46Å; C243-K249 WeakPolarHBondContact CA-O 3.44Å; I244-K249 HydrophobicContact CD1-CB 4.29Å; I244-K249 HydrophobicContact CD1-CD 3.95Å; I244-K249 HydrophobicContact CD1-CG 4.16Å; I244-K249 PolarHBondContact N-O 3.39Å; T247-K249 PolarHBondContact OG1-N 3.48Å; T247-K249 VanDerWaalsContact OG1-N 3.17Å
250V91.9Very high90.5Very high29 Ų2954.4 Ų54.418%0.17629%0.289CS..BIsolated β-bridgetrans-72.6136.2179.5-179.20000110.6V241 W242 N248 F252 P265 V268V241-V250 HydrophobicContact CG1-CB 4.48Å; V241-V250 HydrophobicContact CG1-CG1 3.93Å; V241-V250 HydrophobicContact CG1-CG2 3.77Å; W242-V250 WeakPolarHBondContact O-CA 3.44Å; N248-V250 PolarHBondContact O-N 2.66Å; V250-F252 WeakPolarHBondContact CG1-O 3.41Å; V250-P265 HydrophobicContact CG2-CG 3.56Å; V250-V268 HydrophobicContact CG2-CG2 4.11Å
251Y89.7Confident90.9Very high104 Ų10458 Ų5841%0.40831%0.305SS..SBendtrans-99.4-40.2-179.8-163.8-103.1000112.6L220 W242 K318L220-Y251 HydrophobicContact CD1-CD1 3.7Å; L220-Y251 HydrophobicContact CD1-CE1 4.38Å; L220-Y251 HydrophobicContact CD1-CG 3.97Å; L220-Y251 HydrophobicContact CD2-CD2 4.33Å; L220-Y251 HydrophobicContact CD2-CG 3.96Å; W242-Y251 PolarHBondContact O-N 3.08Å; Y251-K318 HydrophobicContact CD2-CD 4.21Å; Y251-K318 HydrophobicContact CE2-CD 3.51Å; Y251-K318 HydrophobicContact CE2-CG 4.28Å
252F90.1Very high91.1Very high46 Ų4661.1 Ų61.120%0.20233%0.327CS..SBendtrans-114.1126.1178.7-62.4-67.7000110.9L220 W242 V250 R303L220-F252 HydrophobicContact CD1-CD2 4.43Å; L220-F252 HydrophobicContact CD1-CE2 3.82Å; W242-F252 HydrophobicContact CB-CD2 3.83Å; W242-F252 AromaticContact CD1-CD2 3.95Å; W242-F252 HydrophobicContact CG-CD2 4.02Å; V250-F252 WeakPolarHBondContact CG1-O 3.41Å; F252-R303 HydrophobicContact CB-CB 4.16Å; F252-R303 HydrophobicContact CD1-CB 4.2Å; F252-R303 HydrophobicContact CD2-CB 3.65Å; F252-R303 HydrophobicContact CD2-CG 3.87Å; F252-R303 HydrophobicContact CE2-CB 4.04Å; F252-R303 HydrophobicContact CE2-CG 3.74Å; F252-R303 HydrophobicContact CG-CB 3.75Å; F252-R303 HydrophobicContact CG-CG 4.38Å; F252-R303 HydrophobicContact CZ-CB 4.47Å; F252-R303 HydrophobicContact CZ-CG 4.15Å
253K92.4Very high91.3Very high99 Ų9962.3 Ų62.343%0.4333%0.333SS..  trans-74.8159173.3-64.1-176.8-179.2176.90111S262 N264 G302K253-S262 WeakPolarHBondContact CD-OG 3.35Å; K253-N264 WeakPolarHBondContact CG-OD1 3.49Å; K253-G302 WeakPolarHBondContact O-CA 3.45Å; K253-G302 PolarHBondContact O-N 3.03Å
254Q92.9Very high91.5Very high9 Ų966.6 Ų66.64%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-111.9148.5169.9-65-168.53.300110.6F227 W236 S238 Y240 S262 F263 L300F227-Q254 HydrophobicContact CD1-CB 4.36Å; F227-Q254 HydrophobicContact CE1-CB 3.76Å; F227-Q254 HydrophobicContact CE1-CG 3.99Å; F227-Q254 HydrophobicContact CE2-CG 4.33Å; F227-Q254 HydrophobicContact CZ-CB 3.89Å; F227-Q254 VanDerWaalsContact CZ-CD 3.45Å; F227-Q254 HydrophobicContact CZ-CG 3.63Å; W236-Q254 HydrophobicContact CZ2-CB 4.49Å; S238-Q254 VanDerWaalsContact CB-OE1 3.24Å; S238-Q254 PolarHBondContact OG-NE2 2.76Å; Y240-Q254 PolarHBondContact O-NE2 3.41Å; Y240-Q254 VanDerWaalsContact O-NE2 3.11Å; Q254-S262 CarbonylContact O-C 3.52Å; Q254-S262 WeakPolarHBondContact O-CA 3.41Å; Q254-F263 PolarHBondContact N-O 3.45Å; Q254-F263 VanDerWaalsContact N-O 3.09Å; Q254-F263 PolarHBondContact O-N 3.06Å; Q254-L300 CarbonylContact C-O 3.51Å; Q254-L300 WeakPolarHBondContact CA-O 3.5Å
255L93.9Very high91.7Very high21 Ų2166.3 Ų66.311%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-91.1141.3-179.6-63.882.1000110Q260 K261 L300 K305L255-Q260 WeakPolarHBondContact CD2-O 3.06Å; L255-K261 CarbonylContact C-O 3.41Å; L255-K261 VanDerWaalsContact CA-O 3.3Å; L255-K261 WeakPolarHBondContact CA-O 3.41Å; L255-L300 HydrophobicContact CB-CD2 4.44Å; L255-L300 WeakPolarHBondContact CD1-O 3.19Å; L255-L300 PolarHBondContact N-O 2.78Å; L255-K305 HydrophobicContact CD1-CD 3.75Å; L255-K305 HydrophobicContact CD2-CD 3.67Å; L255-K305 HydrophobicContact CG-CD 4.4Å
256C93.3Very high92Very high0 Ų070.4 Ų70.40%036%0.364CS..  trans-68.9132.6167.81770000109.8C229 C232 W236 K258 C259 Q260 K261 F263C229-C256 HydrophobicContact CB-CB 4.19Å; C232-C256 PolarHBondContact SG-SG 2.97Å; W236-C256 HydrophobicContact CH2-CB 4.06Å; W236-C256 HydrophobicContact CZ3-CB 4.3Å; C256-K258 PolarHBondContact O-N 2.83Å; C256-C259 HydrophobicContact CB-CB 4.19Å; C256-Q260 VanDerWaalsContact O-CA 3.27Å; C256-Q260 WeakPolarHBondContact O-CA 3.49Å; C256-Q260 PolarHBondContact O-N 2.83Å; C256-K261 PolarHBondContact N-O 2.91Å; C256-F263 HydrophobicContact CB-CD2 4.02Å; C256-F263 HydrophobicContact CB-CE2 3.76Å
257C92Very high92.4Very high58 Ų5872.1 Ų72.139%0.39235%0.346SS..THydrogen-bonded Turntrans-60-30.817958.20000114.4Q260 L300C257-Q260 PolarHBondContact O-NE2 3.16Å; C257-L300 HydrophobicContact CB-CD1 3.78Å; C257-L300 HydrophobicContact CB-CD2 4.13Å
258K93.4Very high92.6Very high148 Ų14870.6 Ų70.664%0.64334%0.337SS*.THydrogen-bonded Turntrans-88-45.8-179-59-176-1771780112.4C232 T234 C256C232-K258 HydrophobicContact CB-CB 4.45Å; C232-K258 HydrophobicContact CB-CD 4.24Å; T234-K258 WeakPolarHBondContact OG1-CE 3.1Å; T234-K258 PolarHBondContact OG1-NZ 2.77Å; C256-K258 PolarHBondContact O-N 2.83Å
259C93.6Very high92.6Very high40 Ų4068.2 Ų68.227%0.2732%0.322SS..THydrogen-bonded Turntrans-95.2-15.5-171.3-56.60000113.5C232 C256 K261C232-C259 VanDerWaalsContact CB-SG 3.58Å; C256-C259 HydrophobicContact CB-CB 4.19Å; C259-K261 HydrophobicContact CB-CB 4.29Å; C259-K261 HydrophobicContact CB-CD 4.25Å; C259-K261 HydrophobicContact CB-CG 4.16Å; C259-K261 PolarHBondContact O-N 2.85Å
260Q92.1Very high92.4Very high96 Ų9663.2 Ų63.245%0.44931%0.308SS..  trans5317.3-171.3-61.3-63.8-24.200114.2L255 C256 C257L255-Q260 WeakPolarHBondContact CD2-O 3.06Å; C256-Q260 VanDerWaalsContact O-CA 3.27Å; C256-Q260 WeakPolarHBondContact O-CA 3.49Å; C256-Q260 PolarHBondContact O-N 2.83Å; C257-Q260 PolarHBondContact O-NE2 3.16Å
261K94.1Very high92Very high104 Ų10462.5 Ų62.545%0.45230%0.303SS..  trans-84.1145.1173.4-70176.3-175.6-174.20110.1D231 L255 C256 C259 F263D231-K261 IonicContact OD1-NZ 3.9Å; D231-K261 PolarHBondContact OD1-NZ 2.86Å; D231-K261 WeakPolarHBondContact OD2-CD 3.47Å; D231-K261 WeakPolarHBondContact OD2-CE 3.28Å; D231-K261 IonicContact OD2-NZ 2.89Å; D231-K261 PolarHBondContact OD2-NZ 2.87Å; L255-K261 CarbonylContact C-O 3.41Å; L255-K261 VanDerWaalsContact CA-O 3.3Å; L255-K261 WeakPolarHBondContact CA-O 3.41Å; C256-K261 PolarHBondContact N-O 2.91Å; C259-K261 HydrophobicContact CB-CB 4.29Å; C259-K261 HydrophobicContact CB-CD 4.25Å; C259-K261 HydrophobicContact CB-CG 4.16Å; C259-K261 PolarHBondContact O-N 2.85Å; K261-F263 HydrophobicContact CB-CD2 4.48Å; K261-F263 HydrophobicContact CB-CE2 3.66Å; K261-F263 HydrophobicContact CB-CZ 4.08Å; K261-F263 WeakPolarHBondContact O-CD2 3.08Å; K261-F263 WeakPolarHBondContact O-CE2 3.24Å
262S93.1Very high91.8Very high67 Ų6762 Ų6247%0.46930%0.304SS..EExtended strand (participates in β ladder)trans-83.6132.4-179.970.60000112K253 Q254K253-S262 WeakPolarHBondContact CD-OG 3.35Å; Q254-S262 CarbonylContact O-C 3.52Å; Q254-S262 WeakPolarHBondContact O-CA 3.41Å
263F94.7Very high91.3Very high29 Ų2960.3 Ų60.313%0.12730%0.299CS..EExtended strand (participates in β ladder)trans-127.8144.2-180-68.1-85.5000110.7F227 C229 W236 Q254 C256 K261F227-F263 HydrophobicContact CD1-CB 4.37Å; C229-F263 HydrophobicContact CB-CE2 4.04Å; C229-F263 HydrophobicContact CB-CZ 4.07Å; C229-F263 VanDerWaalsContact SG-CE2 3.53Å; C229-F263 WeakPolarHBondContact SG-CZ 3.45Å; W236-F263 HydrophobicContact CH2-CB 4Å; W236-F263 AromaticContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CG 4.05Å; W236-F263 HydrophobicContact CZ2-CB 4.28Å; Q254-F263 PolarHBondContact N-O 3.45Å; Q254-F263 VanDerWaalsContact N-O 3.09Å; Q254-F263 PolarHBondContact O-N 3.06Å; C256-F263 HydrophobicContact CB-CD2 4.02Å; C256-F263 HydrophobicContact CB-CE2 3.76Å; K261-F263 HydrophobicContact CB-CD2 4.48Å; K261-F263 HydrophobicContact CB-CE2 3.66Å; K261-F263 HydrophobicContact CB-CZ 4.08Å; K261-F263 WeakPolarHBondContact O-CD2 3.08Å; K261-F263 WeakPolarHBondContact O-CE2 3.24Å
264N94.2Very high90.7Very high89 Ų8962.6 Ų62.648%0.47631%0.311SS..  trans-84.1147.4162.7-74.7-40.9000108.9K253K253-N264 WeakPolarHBondContact CG-OD1 3.49Å
265P94.3Very high90.2Very high16 Ų1666.8 Ų66.810%0.10434%0.337CS..  trans-65.1145.1169.530-33.4000109.6Y226 F227 V241 V250 V268Y226-P265 CarbonylContact O-C 3.54Å; Y226-P265 WeakPolarHBondContact O-CA 3.24Å; Y226-P265 VanDerWaalsContact O-CB 3.23Å; Y226-P265 WeakPolarHBondContact O-CB 3.27Å; F227-P265 HydrophobicContact CD1-CB 4.05Å; F227-P265 HydrophobicContact CD2-CB 4.29Å; F227-P265 HydrophobicContact CE1-CB 3.78Å; F227-P265 VanDerWaalsContact CE1-CD 3.44Å; F227-P265 HydrophobicContact CE1-CG 4.08Å; F227-P265 VanDerWaalsContact CE1-N 3.28Å; F227-P265 HydrophobicContact CE2-CB 4.01Å; F227-P265 HydrophobicContact CG-CB 4.3Å; F227-P265 HydrophobicContact CZ-CB 3.74Å; F227-P265 HydrophobicContact CZ-CG 4.02Å; V241-P265 HydrophobicContact CG1-CG 4.01Å; V250-P265 HydrophobicContact CG2-CG 3.56Å; P265-V268 HydrophobicContact CB-CG2 4.02Å; P265-V268 HydrophobicContact CG-CG2 3.52Å
266Y94.3Very high89.8Confident135 Ų13567.8 Ų67.853%0.52935%0.346SS..SBendtrans-86.9-20.7175.666.3-94.4000112.1Y226 H228Y226-Y266 WeakPolarHBondContact CB-OH 3.24Å; Y226-Y266 WeakPolarHBondContact O-CD1 3.49Å; Y226-Y266 WeakPolarHBondContact O-CE1 3.31Å; Y226-Y266 PolarHBondContact O-N 3.05Å; H228-Y266 HydrophobicContact CB-CD1 4.09Å; H228-Y266 HydrophobicContact CB-CE1 4.17Å
267R91.8Very high89.3Confident114 Ų11471.5 Ų71.543%0.4337%0.371SS..EExtended strand (participates in β ladder)trans-139.3140.1174-173.9169.572.6-139-7.3109.3G225 Y226 E269G225-R267 WeakPolarHBondContact CA-O 3.33Å; Y226-R267 HydrophobicContact CD2-CB 3.86Å; Y226-R267 HydrophobicContact CD2-CG 4.09Å; Y226-R267 VanDerWaalsContact CE1-NH2 3.34Å; Y226-R267 HydrophobicContact CE2-CG 4.43Å; Y226-R267 HydrophobicContact CG-CB 4.43Å; Y226-R267 PolarHBondContact N-O 2.8Å; R267-E269 WeakPolarHBondContact CD-OE1 3.35Å; R267-E269 IonicContact CZ-OE1 2.87Å; R267-E269 IonicContact NE-OE1 2.9Å; R267-E269 PolarHBondContact NE-OE1 3.08Å; R267-E269 IonicContact NH2-OE1 3.86Å
268V91.1Very high88.8Confident28 Ų2875.2 Ų75.217%0.1738%0.381CS..EExtended strand (participates in β ladder)trans-131.1131.2178-177.20000108.9K223 Y224 V250 P265K223-V268 HydrophobicContact CB-CG1 3.37Å; K223-V268 HydrophobicContact CD-CG1 3.61Å; K223-V268 HydrophobicContact CG-CG1 4.09Å; Y224-V268 CarbonylContact O-C 3.51Å; Y224-V268 VanDerWaalsContact O-CA 3.28Å; Y224-V268 WeakPolarHBondContact O-CA 3.17Å; V250-V268 HydrophobicContact CG2-CG2 4.11Å; P265-V268 HydrophobicContact CB-CG2 4.02Å; P265-V268 HydrophobicContact CG-CG2 3.52Å
269E90.8Very high87.9Confident54 Ų5471.9 Ų71.925%0.25238%0.376SS..EExtended strand (participates in β ladder)trans-126.6152.8-178.8-73.1166.8-151.500109.8K223 Y224 Y226 R267 R288K223-E269 WeakPolarHBondContact CB-O 3.47Å; Y224-E269 PolarHBondContact N-O 3.44Å; Y224-E269 PolarHBondContact O-N 2.69Å; Y226-E269 VanDerWaalsContact CE2-CD 3.42Å; Y226-E269 HydrophobicContact CE2-CG 4.13Å; Y226-E269 WeakPolarHBondContact CE2-OE1 3.37Å; Y226-E269 PolarHBondContact OH-OE1 2.97Å; Y226-E269 PolarHBondContact OH-OE2 3.37Å; R267-E269 WeakPolarHBondContact CD-OE1 3.35Å; R267-E269 IonicContact CZ-OE1 2.87Å; R267-E269 IonicContact NE-OE1 2.9Å; R267-E269 PolarHBondContact NE-OE1 3.08Å; R267-E269 IonicContact NH2-OE1 3.86Å; E269-R288 IonicContact OE2-NH1 3.56Å; E269-R288 PolarHBondContact OE2-NH1 2.89Å
270A86.8Confident87.1Confident41 Ų4176.9 Ų76.934%0.33940%0.395SS..EExtended strand (participates in β ladder)trans-69.7148.7175.200000111.3Q272 I290A270-Q272 VanDerWaalsContact C-N 3.3Å; A270-Q272 HydrophobicContact CB-CG 4.03Å; A270-Q272 PolarHBondContact O-N 2.97Å; A270-I290 WeakPolarHBondContact O-CD1 3.48Å
271I84.2Confident86.5Confident15 Ų1573.7 Ų73.78%0.07738%0.383CS..SBendtrans-80.878.6175.9-59.4-173.2000109.2P222 A239 S279 I290 L292P222-I271 HydrophobicContact CB-CD1 4.22Å; A239-I271 HydrophobicContact CB-CD1 4.1Å; A239-I271 WeakPolarHBondContact O-CD1 3.43Å; I271-S279 WeakPolarHBondContact O-CA 3.49Å; I271-S279 WeakPolarHBondContact O-CB 3.47Å; I271-I290 HydrophobicContact CB-CD1 4.43Å; I271-I290 HydrophobicContact CB-CG2 4.04Å; I271-I290 HydrophobicContact CD1-CG2 4.07Å; I271-I290 HydrophobicContact CG1-CG2 3.78Å; I271-I290 HydrophobicContact CG2-CB 3.79Å; I271-I290 HydrophobicContact CG2-CD1 4.43Å; I271-I290 HydrophobicContact CG2-CG2 3.47Å; I271-I290 VanDerWaalsContact CG2-CG2 3.47Å; I271-L292 HydrophobicContact CD1-CD2 3.8Å; I271-L292 HydrophobicContact CG2-CD2 4.13Å; I271-L292 HydrophobicContact CG2-CG 4.43Å
272Q84Confident85.8Confident92 Ų9274.2 Ų74.243%0.4340%0.4SS..  trans-136.5150.9-175.9-64.5178.510.500112.4A270 S277A270-Q272 VanDerWaalsContact C-N 3.3Å; A270-Q272 HydrophobicContact CB-CG 4.03Å; A270-Q272 PolarHBondContact O-N 2.97Å; Q272-S277 PolarHBondContact OE1-O 3.45Å
273C80.4Confident85.2Confident12 Ų1272.2 Ų72.28%0.08139%0.386CS..  trans-67.3132.7171.4-178.80000110.9T275 C276 S277 K278 C281C273-T275 VanDerWaalsContact C-N 3.25Å; C273-T275 PolarHBondContact O-N 3.28Å; C273-T275 PolarHBondContact SG-N 3.48Å; C273-T275 VanDerWaalsContact SG-N 3.39Å; C273-C276 VanDerWaalsContact CB-SG 3.57Å; C273-C276 VanDerWaalsContact SG-SG 3.65Å; C273-S277 WeakPolarHBondContact O-CA 3.16Å; C273-S277 PolarHBondContact O-N 3Å; C273-K278 WeakPolarHBondContact CB-O 3.33Å; C273-K278 PolarHBondContact N-O 3.06Å; C273-C281 HydrophobicContact CB-CB 4.21Å; C273-C281 WeakPolarHBondContact CB-SG 3.1Å; C273-C281 PolarHBondContact SG-SG 3.15Å
274Q80.3Confident84.2Confident146 Ų14677.3 Ų77.368%0.68242%0.422SS*.THydrogen-bonded Turntrans-65.8-27.5176.4-164.966.432.400113.2
275T82.6Confident82.9Confident98 Ų9879.8 Ų79.860%0.60143%0.43SS*.THydrogen-bonded Turntrans-84.6-38.6-175.3-49.20000112.9C273C273-T275 VanDerWaalsContact C-N 3.25Å; C273-T275 PolarHBondContact O-N 3.28Å; C273-T275 PolarHBondContact SG-N 3.48Å; C273-T275 VanDerWaalsContact SG-N 3.39Å
276C84.9Confident81.3Confident42 Ų4284 Ų8428%0.28445%0.447SS..THydrogen-bonded Turntrans-126.61.6-173.8690000114.4C273 K278 C281C273-C276 VanDerWaalsContact CB-SG 3.57Å; C273-C276 VanDerWaalsContact SG-SG 3.65Å; C276-K278 PolarHBondContact O-N 3.37Å; C276-C281 WeakPolarHBondContact SG-CB 3.42Å
277S81.8Confident79.6Confident77 Ų7786.3 Ų86.354%0.53846%0.46SS..  trans58.48.8179.6-52.80000115.9Q272 C273Q272-S277 PolarHBondContact OE1-O 3.45Å; C273-S277 WeakPolarHBondContact O-CA 3.16Å; C273-S277 PolarHBondContact O-N 3Å
278K81.5Confident78Confident136 Ų13686.4 Ų86.459%0.59146%0.46SS*.  trans-85.4143.9176-64.3174.6179.4177.90110.8C273 C276 C281C273-K278 WeakPolarHBondContact CB-O 3.33Å; C273-K278 PolarHBondContact N-O 3.06Å; C276-K278 PolarHBondContact O-N 3.37Å; K278-C281 HydrophobicContact CB-CB 4.3Å
279S76.4Confident76.3Confident78 Ų7888.5 Ų88.555%0.54547%0.468SS..SBendtrans-70.5-33.2174.453.50000112.8I271I271-S279 WeakPolarHBondContact O-CA 3.49Å; I271-S279 WeakPolarHBondContact O-CB 3.47Å
280H76.9Confident74.7Confident146 Ų14687.2 Ų87.268%0.67646%0.463SS*.SBendtrans-120.2112.5172.7-60.7-79.9000108.8
281C78.6Confident73.3Confident29 Ų2988.9 Ų88.920%0.19647%0.466CS..  trans-138.5153.6-178.879.90000112.1C273 C276 K278C273-C281 HydrophobicContact CB-CB 4.21Å; C273-C281 WeakPolarHBondContact CB-SG 3.1Å; C273-C281 PolarHBondContact SG-SG 3.15Å; C276-C281 WeakPolarHBondContact SG-CB 3.42Å; K278-C281 HydrophobicContact CB-CB 4.3Å
282S78.4Confident72.2Confident115 Ų11591 Ų9180%0.80448%0.477SS*.  trans-104.515.217652.40000113.2
283C82Confident70.8Confident25 Ų2597.7 Ų97.717%0.16950%0.498CS..  trans-56140.8-177.4-61.60000111.6K286C283-K286 WeakPolarHBondContact O-CE 3.18Å; C283-K286 WeakPolarHBondContact O-CG 3.32Å
284P74Confident70Confident136 Ų136102.8 Ų102.888%0.88352%0.516SS*.SBendtrans-75.3-30.2-176.127.2-33.8000113.5K286P284-K286 PolarHBondContact O-N 3.41Å
285Q66Low69.2Low140 Ų140101.2 Ų101.265%0.65452%0.518SS*.  trans-96.169.1-176.7-132.9170.18.500111.1K287Q285-K287 VanDerWaalsContact C-N 3.27Å; Q285-K287 PolarHBondContact O-N 3.08Å
286K60.6Low69Low104 Ų10498.7 Ų98.745%0.45250%0.499SS..  trans-77.763.2-173.1-64.8175.2167-157.90112.7C283 P284 R288 H289C283-K286 WeakPolarHBondContact O-CE 3.18Å; C283-K286 WeakPolarHBondContact O-CG 3.32Å; P284-K286 PolarHBondContact O-N 3.41Å; K286-R288 PolarHBondContact O-N 3.26Å; K286-H289 HydrophobicContact CB-CB 4.41Å; K286-H289 VanDerWaalsContact CB-CD2 3.45Å; K286-H289 WeakPolarHBondContact CB-CD2 3.42Å; K286-H289 WeakPolarHBondContact CD-CD2 2.98Å; K286-H289 WeakPolarHBondContact CD-NE2 3.15Å; K286-H289 WeakPolarHBondContact CE-NE2 3.45Å; K286-H289 WeakPolarHBondContact CG-CD2 3.04Å; K286-H289 PolarHBondContact NZ-CE1 3.06Å; K286-H289 PolarHBondContact NZ-NE2 3.02Å
287K59.5Low68.8Low184 Ų184104 Ų10480%0.851%0.514SS*.THydrogen-bonded Turntrans-66.6-22177.1-71.2-170.5178.6-178.50113.3Q285Q285-K287 VanDerWaalsContact C-N 3.27Å; Q285-K287 PolarHBondContact O-N 3.08Å
288R57.6Low69Low117 Ų117103.8 Ų103.844%0.44250%0.504SS..THydrogen-bonded Turntrans-139.375.7170.1-69.3-171.7-176.2-1572.3110Y226 E269 K286 I290Y226-R288 PolarHBondContact OH-NH1 2.9Å; E269-R288 IonicContact OE2-NH1 3.56Å; E269-R288 PolarHBondContact OE2-NH1 2.89Å; K286-R288 PolarHBondContact O-N 3.26Å; R288-I290 VanDerWaalsContact C-N 3.28Å; R288-I290 PolarHBondContact O-N 3.1Å; R288-I290 VanDerWaalsContact O-N 3.14Å
289H55.7Low69.2Low72 Ų72102 Ų10233%0.33350%0.498SS..  trans-71.998.2153.1-111.8-113.4000106.3K286 D291K286-H289 HydrophobicContact CB-CB 4.41Å; K286-H289 VanDerWaalsContact CB-CD2 3.45Å; K286-H289 WeakPolarHBondContact CB-CD2 3.42Å; K286-H289 WeakPolarHBondContact CD-CD2 2.98Å; K286-H289 WeakPolarHBondContact CD-NE2 3.15Å; K286-H289 WeakPolarHBondContact CE-NE2 3.45Å; K286-H289 WeakPolarHBondContact CG-CD2 3.04Å; K286-H289 PolarHBondContact NZ-CE1 3.06Å; K286-H289 PolarHBondContact NZ-NE2 3.02Å; H289-D291 WeakPolarHBondContact CB-OD1 3.29Å; H289-D291 IonicContact CG-OD1 3.67Å; H289-D291 IonicContact ND1-OD1 2.93Å; H289-D291 PolarHBondContact ND1-OD1 3.32Å; H289-D291 PolarHBondContact O-N 2.7Å
290I57.5Low69.8Low27 Ų2799 Ų9914%0.13848%0.476CS..  trans-71.575.5164.4-60164.7000104.5Y224 A239 A270 I271 R288 L292Y224-I290 HydrophobicContact CD2-CB 4.49Å; Y224-I290 HydrophobicContact CD2-CG1 4.35Å; Y224-I290 HydrophobicContact CD2-CG2 3.47Å; Y224-I290 VanDerWaalsContact CD2-CG2 3.47Å; Y224-I290 HydrophobicContact CE2-CG2 4.05Å; Y224-I290 HydrophobicContact CG-CG2 4.29Å; A239-I290 HydrophobicContact CB-CG2 3.96Å; A270-I290 WeakPolarHBondContact O-CD1 3.48Å; I271-I290 HydrophobicContact CB-CD1 4.43Å; I271-I290 HydrophobicContact CB-CG2 4.04Å; I271-I290 HydrophobicContact CD1-CG2 4.07Å; I271-I290 HydrophobicContact CG1-CG2 3.78Å; I271-I290 HydrophobicContact CG2-CB 3.79Å; I271-I290 HydrophobicContact CG2-CD1 4.43Å; I271-I290 HydrophobicContact CG2-CG2 3.47Å; I271-I290 VanDerWaalsContact CG2-CG2 3.47Å; R288-I290 VanDerWaalsContact C-N 3.28Å; R288-I290 PolarHBondContact O-N 3.1Å; R288-I290 VanDerWaalsContact O-N 3.14Å; I290-L292 PolarHBondContact O-N 2.98Å
291D57.4Low70.3Confident75 Ų7592.2 Ų92.240%0.40144%0.444SS..  trans-61.6106.7-177.6-77-37.9000106.3H289 R293 R294H289-D291 WeakPolarHBondContact CB-OD1 3.29Å; H289-D291 IonicContact CG-OD1 3.67Å; H289-D291 IonicContact ND1-OD1 2.93Å; H289-D291 PolarHBondContact ND1-OD1 3.32Å; H289-D291 PolarHBondContact O-N 2.7Å; D291-R293 HydrophobicContact CB-CB 4.27Å; D291-R293 PolarHBondContact O-N 2.87Å; D291-R294 VanDerWaalsContact O-CB 3.24Å; D291-R294 WeakPolarHBondContact O-CB 3.22Å; D291-R294 PolarHBondContact O-N 2.99Å
292L60.4Low70.7Confident60 Ų6092.3 Ų92.331%0.31445%0.45SS..THydrogen-bonded Turntrans-56.5-12.4160.5-64.7173.4000110.9Y240 I271 I290Y240-L292 PolarHBondContact OH-O 2.82Å; I271-L292 HydrophobicContact CD1-CD2 3.8Å; I271-L292 HydrophobicContact CG2-CD2 4.13Å; I271-L292 HydrophobicContact CG2-CG 4.43Å; I290-L292 PolarHBondContact O-N 2.98Å
293R54.3Low71.1Confident232 Ų23287.6 Ų87.688%0.87542%0.415SS*.THydrogen-bonded Turntrans-85.2-6.8171-74-176.8145.4-148.9-5114.4D291D291-R293 HydrophobicContact CB-CB 4.27Å; D291-R293 PolarHBondContact O-N 2.87Å
294R63.6Low71.2Confident119 Ų11986.4 Ų86.445%0.44941%0.407SS..SBendtrans-56.1125.8173.6-167.7171.4-177.5164.5-5.4106.8Y224 E237 Y240 D291 H296Y224-R294 PolarHBondContact OH-NH1 2.82Å; E237-R294 IonicContact OE2-NH1 2.88Å; Y240-R294 WeakPolarHBondContact CE2-O 3.37Å; Y240-R294 PolarHBondContact OH-O 3.03Å; D291-R294 VanDerWaalsContact O-CB 3.24Å; D291-R294 WeakPolarHBondContact O-CB 3.22Å; D291-R294 PolarHBondContact O-N 2.99Å; R294-H296 PolarHBondContact O-N 3Å
295P63.2Low71.8Confident113 Ų11383.1 Ų83.173%0.73438%0.379SS*.PPolyproline II helixtrans-56.2117.8-168.617.9-30.4000110R297P295-R297 PolarHBondContact O-N 3.03Å
296H79.2Confident72.6Confident45 Ų4583.4 Ų83.421%0.20838%0.384CS..PPolyproline II helixtrans-67.2118.7178.2-176.263.5000109.7Y240 R294 Q298 C301 C304 C311Y240-H296 AromaticContact CD1-ND1 3.52Å; Y240-H296 HydrophobicContact CD2-CB 4.09Å; Y240-H296 AromaticContact CD2-CG 3.94Å; Y240-H296 AromaticContact CD2-ND1 3.06Å; Y240-H296 WeakPolarHBondContact CD2-ND1 3.37Å; Y240-H296 HydrophobicContact CE1-CB 4.23Å; Y240-H296 AromaticContact CE1-ND1 3.87Å; Y240-H296 HydrophobicContact CE2-CB 3.49Å; Y240-H296 VanDerWaalsContact CE2-CB 3.49Å; Y240-H296 AromaticContact CE2-CG 3.83Å; Y240-H296 AromaticContact CE2-ND1 3.42Å; Y240-H296 WeakPolarHBondContact CE2-ND1 3.23Å; Y240-H296 AromaticContact CG-CE1 3.71Å; Y240-H296 AromaticContact CG-ND1 3.08Å; Y240-H296 AromaticContact CZ-CG 3.98Å; Y240-H296 AromaticContact CZ-ND1 3.82Å; R294-H296 PolarHBondContact O-N 3Å; H296-Q298 PolarHBondContact O-N 3.18Å; H296-C301 VanDerWaalsContact CE1-CB 3.41Å; H296-C301 WeakPolarHBondContact CE1-CB 3.33Å; H296-C301 VanDerWaalsContact CE1-SG 3.57Å; H296-C304 PolarHBondContact NE2-SG 2.92Å; H296-C311 VanDerWaalsContact CE1-CB 3.49Å; H296-C311 WeakPolarHBondContact CE1-CB 3.33Å; H296-C311 VanDerWaalsContact CE1-SG 3.51Å; H296-C311 WeakPolarHBondContact NE2-CB 3.48Å; H296-C311 PolarHBondContact NE2-SG 2.79Å; H296-C311 VanDerWaalsContact NE2-SG 3.36Å
297R81.1Confident73.7Confident155 Ų15582.8 Ų82.859%0.58538%0.382SS*.  trans-85.587.5172.7-72.8-170.6-175.6-174.6-0.8110.1P295 E299 L300 C301P295-R297 PolarHBondContact O-N 3.03Å; R297-E299 VanDerWaalsContact CA-OE2 3.27Å; R297-E299 WeakPolarHBondContact CA-OE2 3.43Å; R297-E299 VanDerWaalsContact CB-OE1 3.31Å; R297-E299 WeakPolarHBondContact CB-OE1 3.32Å; R297-E299 WeakPolarHBondContact CG-OE1 3.42Å; R297-E299 PolarHBondContact O-N 3.12Å; R297-L300 HydrophobicContact CB-CB 4.3Å; R297-L300 HydrophobicContact CB-CD1 4.13Å; R297-L300 HydrophobicContact CB-CG 4.23Å; R297-L300 PolarHBondContact O-N 3.37Å; R297-L300 VanDerWaalsContact O-N 3.11Å; R297-C301 PolarHBondContact O-N 3.08Å
298Q85.4Confident74.5Confident71 Ų7186.6 Ų86.633%0.33239%0.391SS..G310 helixtrans-58.6-37.1-176.4169.8158.61400112.5H296 L300 C301 C304 K305 K307H296-Q298 PolarHBondContact O-N 3.18Å; Q298-L300 PolarHBondContact O-N 3.02Å; Q298-C301 PolarHBondContact O-N 3.36Å; Q298-C304 HydrophobicContact CG-CB 4.27Å; Q298-C304 PolarHBondContact NE2-O 3.15Å; Q298-K305 WeakPolarHBondContact O-CA 3.45Å; Q298-K305 PolarHBondContact O-N 3.06Å; Q298-K307 PolarHBondContact NE2-O 2.98Å
299E85.3Confident75.3Confident100 Ų10085.7 Ų85.747%0.46739%0.391SS..G310 helixtrans-62.5-23.5178.375.4-68.1173.800113.1R297 K305R297-E299 VanDerWaalsContact CA-OE2 3.27Å; R297-E299 WeakPolarHBondContact CA-OE2 3.43Å; R297-E299 VanDerWaalsContact CB-OE1 3.31Å; R297-E299 WeakPolarHBondContact CB-OE1 3.32Å; R297-E299 WeakPolarHBondContact CG-OE1 3.42Å; R297-E299 PolarHBondContact O-N 3.12Å; E299-K305 WeakPolarHBondContact O-CD 3.31Å
300L88.8Confident76.2Confident15 Ų1585.6 Ų85.68%0.07940%0.398CS..G310 helixtrans-104.5-6.3179.8-54.3-178.5000113.4Q254 L255 C257 R297 Q298Q254-L300 CarbonylContact C-O 3.51Å; Q254-L300 WeakPolarHBondContact CA-O 3.5Å; L255-L300 HydrophobicContact CB-CD2 4.44Å; L255-L300 WeakPolarHBondContact CD1-O 3.19Å; L255-L300 PolarHBondContact N-O 2.78Å; C257-L300 HydrophobicContact CB-CD1 3.78Å; C257-L300 HydrophobicContact CB-CD2 4.13Å; R297-L300 HydrophobicContact CB-CB 4.3Å; R297-L300 HydrophobicContact CB-CD1 4.13Å; R297-L300 HydrophobicContact CB-CG 4.23Å; R297-L300 PolarHBondContact O-N 3.37Å; R297-L300 VanDerWaalsContact O-N 3.11Å; Q298-L300 PolarHBondContact O-N 3.02Å
301C88.8Confident77Confident2 Ų284.4 Ų84.41%0.01439%0.392CS..BIsolated β-bridgetrans-96.3115.8-174.9-176.70000111.4H296 R297 Q298 R303 C304 K305 C311H296-C301 VanDerWaalsContact CE1-CB 3.41Å; H296-C301 WeakPolarHBondContact CE1-CB 3.33Å; H296-C301 VanDerWaalsContact CE1-SG 3.57Å; R297-C301 PolarHBondContact O-N 3.08Å; Q298-C301 PolarHBondContact O-N 3.36Å; C301-R303 PolarHBondContact O-N 2.93Å; C301-C304 PolarHBondContact O-N 3.38Å; C301-K305 WeakPolarHBondContact O-CB 3.29Å; C301-K305 PolarHBondContact O-N 3.04Å; C301-C311 VanDerWaalsContact SG-SG 3.64Å
302G86.3Confident77.2Confident31 Ų3183.2 Ų83.232%0.3240%0.398SS..THydrogen-bonded Turntrans-62.9-7.6178.600000115.3K253K253-G302 WeakPolarHBondContact O-CA 3.45Å; K253-G302 PolarHBondContact O-N 3.03Å
303R85.7Confident77Confident16 Ų1687 Ų876%0.0642%0.419CS..THydrogen-bonded Turntrans-80.8-47.2173.5178.3176.2165.4150.1-4112.7F252 C301 K307 F309 S316F252-R303 HydrophobicContact CB-CB 4.16Å; F252-R303 HydrophobicContact CD1-CB 4.2Å; F252-R303 HydrophobicContact CD2-CB 3.65Å; F252-R303 HydrophobicContact CD2-CG 3.87Å; F252-R303 HydrophobicContact CE2-CB 4.04Å; F252-R303 HydrophobicContact CE2-CG 3.74Å; F252-R303 HydrophobicContact CG-CB 3.75Å; F252-R303 HydrophobicContact CG-CG 4.38Å; F252-R303 HydrophobicContact CZ-CB 4.47Å; F252-R303 HydrophobicContact CZ-CG 4.15Å; C301-R303 PolarHBondContact O-N 2.93Å; R303-K307 WeakPolarHBondContact O-CD 3.29Å; R303-K307 WeakPolarHBondContact O-CE 3.49Å; R303-K307 PolarHBondContact O-NZ 3.32Å; R303-F309 HydrophobicContact CG-CE2 4.15Å; R303-S316 PolarHBondContact NH1-OG 3.34Å
304C85.8Confident77.4Confident0 Ų080.3 Ų80.30%040%0.399CS..THydrogen-bonded Turntrans-117.6-4.3-170.561.20000114H296 Q298 C301 D306 K307 F309 C311H296-C304 PolarHBondContact NE2-SG 2.92Å; Q298-C304 HydrophobicContact CG-CB 4.27Å; Q298-C304 PolarHBondContact NE2-O 3.15Å; C301-C304 PolarHBondContact O-N 3.38Å; C304-D306 PolarHBondContact O-N 3.02Å; C304-K307 PolarHBondContact O-N 2.98Å; C304-F309 HydrophobicContact CB-CE2 4.46Å; C304-F309 WeakPolarHBondContact CB-O 3.4Å; C304-C311 PolarHBondContact SG-SG 2.95Å
305K85.3Confident77Confident68 Ų6883.1 Ų83.130%0.29641%0.411SS..THydrogen-bonded Turntrans-52.1126.2171-178-178.9-179.6-710108.2L255 Q298 E299 C301 K307L255-K305 HydrophobicContact CD1-CD 3.75Å; L255-K305 HydrophobicContact CD2-CD 3.67Å; L255-K305 HydrophobicContact CG-CD 4.4Å; Q298-K305 WeakPolarHBondContact O-CA 3.45Å; Q298-K305 PolarHBondContact O-N 3.06Å; E299-K305 WeakPolarHBondContact O-CD 3.31Å; C301-K305 WeakPolarHBondContact O-CB 3.29Å; C301-K305 PolarHBondContact O-N 3.04Å; K305-K307 PolarHBondContact O-N 3.23Å
306D82.3Confident76.8Confident145 Ų14578.5 Ų78.578%0.77538%0.381SS*.THydrogen-bonded Turntrans63.614.4-179.1-44.1-38.8000115.1C304C304-D306 PolarHBondContact O-N 3.02Å
307K83.9Confident75.8Confident91 Ų9181.6 Ų81.640%0.39639%0.394SS..  trans-107.9150.5178.1-53-164.5-170.6-173.30112.2Q298 R303 C304 K305 F309Q298-K307 PolarHBondContact NE2-O 2.98Å; R303-K307 WeakPolarHBondContact O-CD 3.29Å; R303-K307 WeakPolarHBondContact O-CE 3.49Å; R303-K307 PolarHBondContact O-NZ 3.32Å; C304-K307 PolarHBondContact O-N 2.98Å; K305-K307 PolarHBondContact O-N 3.23Å; K307-F309 HydrophobicContact CB-CD1 3.96Å; K307-F309 HydrophobicContact CB-CE1 3.85Å; K307-F309 HydrophobicContact CB-CZ 4.29Å; K307-F309 HydrophobicContact CD-CD1 4.29Å; K307-F309 HydrophobicContact CD-CE1 3.34Å; K307-F309 HydrophobicContact CD-CE2 4.35Å; K307-F309 HydrophobicContact CD-CZ 3.38Å; K307-F309 HydrophobicContact CG-CE1 4.21Å; K307-F309 HydrophobicContact CG-CZ 4.44Å; K307-F309 PolarHBondContact O-N 2.96Å
308R76.9Confident74.9Confident265 Ų26576.5 Ų76.5100%138%0.377SS*.SBendtrans-74.2-2178.6-62.2-174.3-179.3-1780.5114.4
309F75.3Confident73.3Confident98 Ų9880.1 Ų80.143%0.4339%0.393SS..SBendtrans-113.9145179.265.5-99.9000111.8R303 C304 K307R303-F309 HydrophobicContact CG-CE2 4.15Å; C304-F309 HydrophobicContact CB-CE2 4.46Å; C304-F309 WeakPolarHBondContact CB-O 3.4Å; K307-F309 HydrophobicContact CB-CD1 3.96Å; K307-F309 HydrophobicContact CB-CE1 3.85Å; K307-F309 HydrophobicContact CB-CZ 4.29Å; K307-F309 HydrophobicContact CD-CD1 4.29Å; K307-F309 HydrophobicContact CD-CE1 3.34Å; K307-F309 HydrophobicContact CD-CE2 4.35Å; K307-F309 HydrophobicContact CD-CZ 3.38Å; K307-F309 HydrophobicContact CG-CE1 4.21Å; K307-F309 HydrophobicContact CG-CZ 4.44Å; K307-F309 PolarHBondContact O-N 2.96Å
310S72.9Confident71.7Confident69 Ų6978.6 Ų78.648%0.48339%0.39SS..  trans-85.7154.6175.166.90000111.4G312S310-G312 PolarHBondContact O-N 3.09Å
311C74.3Confident69.2Low2 Ų289.6 Ų89.61%0.01445%0.445CS..THydrogen-bonded Turntrans-71.90.3171.6-72.40000113.8Y240 H296 C301 C304Y240-C311 HydrophobicContact CD1-CB 3.8Å; Y240-C311 HydrophobicContact CE1-CB 4.26Å; H296-C311 VanDerWaalsContact CE1-CB 3.49Å; H296-C311 WeakPolarHBondContact CE1-CB 3.33Å; H296-C311 VanDerWaalsContact CE1-SG 3.51Å; H296-C311 WeakPolarHBondContact NE2-CB 3.48Å; H296-C311 PolarHBondContact NE2-SG 2.79Å; H296-C311 VanDerWaalsContact NE2-SG 3.36Å; C301-C311 VanDerWaalsContact SG-SG 3.64Å; C304-C311 PolarHBondContact SG-SG 2.95Å
312G62.3Low68.2Low51 Ų5194 Ų9453%0.52647%0.466SS..THydrogen-bonded Turntrans-78.5-11.5-174.100000115.2S310S310-G312 PolarHBondContact O-N 3.09Å
313N55.9Low67.3Low140 Ų14097.3 Ų97.375%0.74947%0.474SS*.SBendtrans-112.8115178.9-115.3-22.3000111.4Y315N313-Y315 PolarHBondContact O-N 3.27Å
314I62.3Low66.2Low91 Ų91101.8 Ų101.847%0.46750%0.497SS..  trans-83.8105.1-170.3-61.8163.5000108.2
315Y55.8Low65.1Low177 Ų177107.8 Ų107.869%0.69453%0.526SS*.  -170.1106129-82-68.7000106.2N313 F317N313-Y315 PolarHBondContact O-N 3.27Å; Y315-F317 HydrophobicContact CD1-CZ 4.36Å; Y315-F317 HydrophobicContact CG-CE2 4.38Å; Y315-F317 HydrophobicContact CG-CZ 4.26Å
316S58.3Low63.8Low17 Ų17110.3 Ų110.312%0.11954%0.54CS..  trans-105.2103.6169.439.40000109.1L220 R303L220-S316 WeakPolarHBondContact CB-OG 3.3Å; L220-S316 PolarHBondContact N-O 3.28Å; R303-S316 PolarHBondContact NH1-OG 3.34Å
317F58.7Low62.6Low109 Ų109108 Ų10848%0.47853%0.525SS..EExtended strand (participates in β ladder)trans-78.2129.5166.9-54.7-85.3000108.3F219 Y315F219-F317 HydrophobicContact CD1-CD1 4.28Å; F219-F317 HydrophobicContact CD1-CE1 4.27Å; F219-F317 AromaticContact CE1-CD1 3.84Å; F219-F317 HydrophobicContact CE1-CD1 3.84Å; F219-F317 AromaticContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CZ-CE1 4.31Å; Y315-F317 HydrophobicContact CD1-CZ 4.36Å; Y315-F317 HydrophobicContact CG-CE2 4.38Å; Y315-F317 HydrophobicContact CG-CZ 4.26Å
318K63.5Low61.1Low49 Ų49109.2 Ų109.221%0.21353%0.534CS..EExtended strand (participates in β ladder)trans-95.6114.2158.5-173-173175.3-1650107.1Q218 Y251 V320Q218-K318 HydrophobicContact CB-CB 4.19Å; Q218-K318 HydrophobicContact CB-CD 4.32Å; Q218-K318 PolarHBondContact N-O 3.48Å; Q218-K318 VanDerWaalsContact O-CB 3.29Å; Q218-K318 WeakPolarHBondContact O-CB 3.34Å; Q218-K318 PolarHBondContact O-N 3.22Å; Y251-K318 HydrophobicContact CD2-CD 4.21Å; Y251-K318 HydrophobicContact CE2-CD 3.51Å; Y251-K318 HydrophobicContact CE2-CG 4.28Å; K318-V320 HydrophobicContact CD-CG2 3.89Å; K318-V320 HydrophobicContact CG-CG2 4.03Å; K318-V320 PolarHBondContact O-N 3.31Å
319H51Low59.9Low147 Ų14797.2 Ų97.268%0.68150%0.498SS*.  trans-74116.4163-7369.3000106.7F217F217-H319 AromaticContact CE1-CD2 3.78Å; F217-H319 AromaticContact CE1-CE1 3.9Å; F217-H319 AromaticContact CE1-NE2 3.53Å
320V51.5Low58.6Low67 Ų6797.2 Ų97.241%0.40650%0.504SS..  trans-103.2108.5164-172.90000104.5Q218 K318Q218-V320 HydrophobicContact CB-CG2 4.43Å; Q218-V320 HydrophobicContact CG-CG2 4.3Å; K318-V320 HydrophobicContact CD-CG2 3.89Å; K318-V320 HydrophobicContact CG-CG2 4.03Å; K318-V320 PolarHBondContact O-N 3.31Å
321M36.1Very low57.3Low247 Ų24799.7 Ų99.7100%1.21751%0.506SS*.  trans-80.70174.8-170.5177.9-68.300109.6

Retrieved 321 of 321 residues in 162.6 ms (Link to these results)